Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gtw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 5.A OE1 no hydrogen 3.383 N/A TRP 3.A N ASP 212.A OD1 no hydrogen 2.775 N/A GLU 5.A N SER 2.A O no hydrogen 3.109 N/A GLU 6.A N SER 2.A O no hydrogen 3.264 N/A GLU 6.A N TRP 3.A O no hydrogen 3.323 N/A ILE 11.A N HIS 362.A NE2 no hydrogen 2.932 N/A GLU 15.A N LYS 221.A O no hydrogen 3.193 N/A PHE 20.A N PRO 17.A O no hydrogen 3.346 N/A SER 22.A OG HIS 175.A NE2 no hydrogen 2.945 N/A THR 25.A N HIS 175.A O no hydrogen 3.008 N/A LEU 26.A N ASN 224.A O no hydrogen 2.991 N/A LEU 27.A N TYR 177.A O no hydrogen 2.632 N/A PHE 28.A N ILE 226.A O no hydrogen 3.129 N/A SER 29.A N LEU 179.A O no hydrogen 2.570 N/A SER 29.A OG HIS 71.A NE2 no hydrogen 2.681 N/A LEU 30.A N ILE 228.A O no hydrogen 2.911 N/A ASP 31.A N LEU 181.A O no hydrogen 3.037 N/A GLY 32.A N ASP 230.A OD1 no hydrogen 3.100 N/A PHE 33.A N LEU 30.A O no hydrogen 3.294 N/A ALA 35.A N GLN 350.A O no hydrogen 2.901 N/A TYR 37.A N ARG 34.A O no hydrogen 3.092 N/A HIS 39.A NE2 LYS 59.A O no hydrogen 2.652 N/A THR 40.A N GLU 36.A O no hydrogen 2.957 N/A THR 40.A OG1 GLU 36.A O no hydrogen 3.140 N/A THR 40.A OG1 GLU 36.A OE2 no hydrogen 2.501 N/A TRP 41.A N TYR 37.A O no hydrogen 2.678 N/A LEU 44.A N TRP 41.A O no hydrogen 3.248 N/A LEU 45.A N GLY 42.A O no hydrogen 3.241 N/A VAL 47.A N ASP 206.A OD2 no hydrogen 3.391 N/A ILE 48.A N ASP 206.A OD1 no hydrogen 2.822 N/A SER 49.A N LEU 45.A O no hydrogen 3.075 N/A SER 49.A OG GLY 42.A O no hydrogen 2.976 N/A SER 49.A OG LEU 45.A O no hydrogen 2.756 N/A LYS 50.A N PRO 46.A O no hydrogen 3.254 N/A LYS 50.A NZ TRP 3.A O no hydrogen 2.407 N/A LYS 50.A NZ GLU 6.A O no hydrogen 3.033 N/A LEU 51.A N VAL 47.A O no hydrogen 3.257 N/A LYS 52.A N ILE 48.A O no hydrogen 3.066 N/A LYS 52.A NZ ASN 53.A OD1 no hydrogen 3.380 N/A ASN 53.A N SER 49.A O no hydrogen 2.790 N/A CYS 54.A N LYS 50.A O no hydrogen 2.856 N/A GLY 55.A N LYS 52.A O no hydrogen 3.469 N/A THR 56.A N GLY 355.A O no hydrogen 2.721 N/A THR 56.A OG1 LYS 361.A O no hydrogen 3.425 N/A THR 56.A OG1 LEU 398.A O no hydrogen 3.317 N/A TYR 57.A N ALA 364.A O no hydrogen 2.875 N/A THR 58.A OG1 ASN 60.A O no hydrogen 3.143 N/A THR 58.A OG1 VAL 366.A O no hydrogen 3.528 N/A THR 58.A OG1 ASP 367.A O no hydrogen 3.360 N/A ARG 61.A N PHE 369.A O no hydrogen 3.053 N/A ARG 61.A NH1 GLU 370.A OE2 no hydrogen 3.206 N/A ARG 61.A NH2 THR 688.A O no hydrogen 3.445 N/A LYS 66.A N PRO 64.A O no hydrogen 2.859 N/A LYS 66.A NZ HIS 341.A O no hydrogen 2.712 N/A THR 67.A OG1 ASP 31.A OD1 no hydrogen 3.536 N/A THR 67.A OG1 ASP 31.A OD2 no hydrogen 2.879 N/A THR 67.A OG1 ASP 230.A OD2 no hydrogen 3.062 N/A PHE 68.A N ASN 88.A OD1 no hydrogen 3.068 N/A ASN 70.A N LYS 66.A O no hydrogen 3.354 N/A ASN 70.A ND2 PRO 64.A O no hydrogen 3.191 N/A ASN 70.A ND2 LYS 66.A O no hydrogen 2.389 N/A HIS 71.A N THR 67.A O no hydrogen 2.835 N/A HIS 71.A ND1 THR 67.A O no hydrogen 3.061 N/A HIS 71.A NE2 SER 29.A OG no hydrogen 2.681 N/A TYR 72.A N PHE 68.A O no hydrogen 3.071 N/A TYR 72.A OH LYS 111.A O no hydrogen 2.732 N/A SER 73.A N PRO 69.A O no hydrogen 2.844 N/A SER 73.A OG PRO 69.A O no hydrogen 2.798 N/A SER 73.A OG LEU 78.A O no hydrogen 2.954 N/A SER 73.A OG HIS 83.A NE2 no hydrogen 2.496 N/A ILE 74.A N ASN 70.A O no hydrogen 2.867 N/A THR 76.A OG1 TYR 72.A O no hydrogen 2.474 N/A GLY 77.A N SER 73.A O no hydrogen 2.715 N/A TYR 79.A N ASN 389.A OD1 no hydrogen 3.005 N/A SER 82.A N TYR 79.A O no hydrogen 2.798 N/A HIS 83.A N TYR 79.A O no hydrogen 3.106 N/A HIS 83.A NE2 SER 73.A OG no hydrogen 2.496 N/A ILE 85.A N HIS 83.A ND1 no hydrogen 3.133 N/A ASN 88.A N ASP 87.A OD1 no hydrogen 2.388 N/A TYR 90.A OH ASN 94.A OD1 no hydrogen 2.833 N/A ASP 91.A N ALA 95.A O no hydrogen 3.101 N/A ALA 95.A N ASP 91.A O no hydrogen 3.373 N/A SER 98.A OG PHE 97.A O no hydrogen 2.758 N/A GLU 103.A N SER 101.A OG no hydrogen 3.316 N/A LYS 104.A N SER 101.A O no hydrogen 3.439 N/A LYS 104.A NZ ASP 135.A OD1 no hydrogen 3.159 N/A PHE 105.A N LYS 102.A O no hydrogen 3.402 N/A ASN 106.A N GLU 103.A O no hydrogen 3.128 N/A ASN 106.A ND2 GLU 103.A OE1 no hydrogen 3.213 N/A LEU 108.A N ASN 106.A OD1 no hydrogen 3.419 N/A TRP 109.A N ASN 106.A O no hydrogen 3.211 N/A TRP 109.A NE1 GLU 103.A OE1 no hydrogen 2.835 N/A TYR 110.A OH LYS 104.A O no hydrogen 3.051 N/A LYS 111.A N HIS 83.A O no hydrogen 2.936 N/A GLN 113.A NE2 THR 118.A OG1 no hydrogen 2.688 N/A VAL 117.A N PRO 114.A O no hydrogen 3.106 N/A THR 118.A N PRO 114.A O no hydrogen 3.037 N/A THR 118.A OG1 PRO 114.A O no hydrogen 3.178 N/A THR 118.A OG1 TYR 375.A OH no hydrogen 2.916 N/A ALA 119.A N ILE 115.A O no hydrogen 2.719 N/A ASN 120.A N TRP 116.A O no hydrogen 3.175 N/A HIS 121.A N VAL 117.A O no hydrogen 3.199 N/A GLN 122.A N ALA 119.A O no hydrogen 3.266 N/A GLN 122.A NE2 ILE 384.A O no hydrogen 3.139 N/A GLU 123.A N ASN 120.A O no hydrogen 3.312 N/A VAL 124.A N ALA 119.A O no hydrogen 2.646 N/A GLY 127.A N PHE 176.A O no hydrogen 2.799 N/A THR 128.A N ILE 145.A O no hydrogen 2.686 N/A THR 128.A OG1 SER 134.A OG no hydrogen 3.321 N/A THR 128.A OG1 THR 178.A OG1 no hydrogen 2.351 N/A TYR 129.A N THR 178.A OG1 no hydrogen 2.875 N/A TRP 131.A NE1 HIS 71.A O no hydrogen 2.914 N/A SER 134.A N TRP 131.A O no hydrogen 2.867 N/A SER 134.A OG THR 128.A OG1 no hydrogen 3.321 N/A SER 134.A OG TRP 131.A O no hydrogen 2.585 N/A ILE 138.A N ILE 141.A O no hydrogen 3.316 N/A ILE 141.A N ILE 138.A O no hydrogen 2.991 N/A ILE 145.A N SER 126.A O no hydrogen 3.150 N/A TYR 149.A N ASP 135.A OD1 no hydrogen 2.756 N/A TYR 149.A OH GLU 182.A OE2 no hydrogen 2.489 N/A SER 152.A N ASN 150.A OD1 no hydrogen 3.267 N/A SER 152.A OG ASN 150.A OD1 no hydrogen 3.471 N/A VAL 153.A N ASN 150.A O no hydrogen 3.170 N/A GLU 157.A N PRO 154.A O no hydrogen 3.161 N/A ARG 158.A N PHE 155.A O no hydrogen 2.908 N/A ARG 158.A NE VAL 153.A O no hydrogen 2.996 N/A ARG 158.A NH1 TYR 180.A O no hydrogen 2.687 N/A ARG 158.A NH1 GLU 182.A OE2 no hydrogen 3.343 N/A ARG 158.A NH2 VAL 153.A O no hydrogen 2.917 N/A ARG 158.A NH2 GLU 182.A OE1 no hydrogen 2.943 N/A ARG 158.A NH2 GLU 182.A OE2 no hydrogen 3.213 N/A ILE 159.A N PHE 155.A O no hydrogen 3.247 N/A LEU 160.A N GLU 156.A O no hydrogen 3.381 N/A ALA 161.A N GLU 157.A O no hydrogen 3.090 N/A VAL 162.A N ARG 158.A O no hydrogen 3.324 N/A LEU 163.A N ILE 159.A O no hydrogen 2.966 N/A GLU 164.A N LEU 160.A O no hydrogen 2.815 N/A TRP 165.A N ALA 161.A O no hydrogen 3.277 N/A LEU 166.A N VAL 162.A O no hydrogen 3.131 N/A GLN 167.A N GLU 164.A O no hydrogen 3.302 N/A LEU 168.A N TRP 165.A O no hydrogen 3.164 N/A SER 170.A OG GLU 19.A O no hydrogen 3.370 N/A GLU 172.A N PRO 169.A O no hydrogen 2.890 N/A ARG 173.A NH1 LEU 168.A O no hydrogen 3.341 N/A ARG 173.A NH2 GLU 19.A O no hydrogen 2.488 N/A HIS 175.A N LYS 125.A O no hydrogen 2.807 N/A HIS 175.A NE2 SER 22.A O no hydrogen 3.212 N/A PHE 176.A N LYS 125.A O no hydrogen 3.412 N/A TYR 177.A N THR 25.A O no hydrogen 2.824 N/A TYR 177.A OH PRO 174.A O no hydrogen 2.556 N/A THR 178.A N GLY 127.A O no hydrogen 3.428 N/A THR 178.A OG1 THR 128.A OG1 no hydrogen 2.351 N/A LEU 179.A N LEU 27.A O no hydrogen 2.628 N/A TYR 180.A OH ASP 31.A OD2 no hydrogen 2.705 N/A LEU 181.A N SER 29.A O no hydrogen 3.061 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.926 N/A SER 186.A N GLU 182.A O no hydrogen 3.105 N/A SER 186.A OG GLU 182.A O no hydrogen 3.297 N/A SER 187.A N GLU 183.A OE1 no hydrogen 2.981 N/A SER 187.A OG GLU 183.A OE1 no hydrogen 3.152 N/A SER 187.A OG GLU 183.A OE2 no hydrogen 2.559 N/A GLY 188.A N PRO 184.A O no hydrogen 2.950 N/A HIS 189.A N ASP 185.A O no hydrogen 2.920 N/A HIS 189.A ND1 GLY 339.A O no hydrogen 2.646 N/A HIS 189.A NE2 HIS 341.A NE2 no hydrogen 2.938 N/A SER 190.A N SER 186.A O no hydrogen 3.373 N/A SER 190.A OG SER 186.A O no hydrogen 3.487 N/A SER 190.A OG HIS 191.A ND1 no hydrogen 2.628 N/A HIS 191.A N SER 187.A O no hydrogen 3.345 N/A HIS 191.A ND1 SER 190.A OG no hydrogen 2.628 N/A GLY 192.A N GLY 188.A O no hydrogen 2.967 N/A SER 195.A OG GLY 192.A O no hydrogen 2.922 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.796 N/A VAL 198.A N SER 195.A OG no hydrogen 3.242 N/A LYS 200.A N SER 196.A O no hydrogen 3.050 N/A ALA 201.A N GLU 197.A O no hydrogen 2.845 N/A LEU 202.A N VAL 198.A O no hydrogen 2.584 N/A GLN 203.A N ILE 199.A O no hydrogen 2.953 N/A LYS 204.A N LYS 200.A O no hydrogen 3.020 N/A VAL 205.A N ALA 201.A O no hydrogen 2.834 N/A ASP 206.A N LEU 202.A O no hydrogen 2.856 N/A ARG 207.A N GLN 203.A O no hydrogen 3.010 N/A LEU 208.A N LYS 204.A O no hydrogen 3.162 N/A VAL 209.A N VAL 205.A O no hydrogen 3.069 N/A GLY 210.A N ASP 206.A O no hydrogen 3.136 N/A LEU 214.A N LEU 211.A O no hydrogen 2.741 N/A LYS 215.A NZ LYS 1.A O no hydrogen 2.581 N/A LYS 215.A NZ GLU 6.A OE2 no hydrogen 2.828 N/A ASP 216.A N ASP 212.A O no hydrogen 2.995 N/A LEU 217.A N LEU 214.A O no hydrogen 3.311 N/A GLY 218.A N LYS 215.A O no hydrogen 2.999 N/A LEU 219.A N LEU 214.A O no hydrogen 2.680 N/A CYS 222.A N LEU 219.A O no hydrogen 3.011 N/A ASN 224.A N PRO 24.A O no hydrogen 3.063 N/A LEU 225.A N TYR 356.A O no hydrogen 2.529 N/A ILE 226.A N LEU 26.A O no hydrogen 3.096 N/A LEU 227.A N ILE 354.A O no hydrogen 2.840 N/A ILE 228.A N PHE 28.A O no hydrogen 2.845 N/A SER 229.A N LEU 352.A O no hydrogen 3.244 N/A SER 229.A OG PHE 33.A O no hydrogen 3.037 N/A ASP 230.A N ASP 230.A OD1 no hydrogen 2.478 N/A HIS 231.A ND1 GLY 232.A O no hydrogen 3.002 N/A GLN 234.A N GLU 233.A OE1 no hydrogen 3.040 N/A GLN 234.A NE2 GLY 235.A O no hydrogen 2.586 N/A GLN 234.A NE2 GLY 337.A O no hydrogen 3.352 N/A GLY 235.A N SER 338.A O no hydrogen 3.065 N/A LYS 238.A N SER 236.A OG no hydrogen 3.318 N/A LYS 239.A NZ GLN 323.A OE1 no hydrogen 3.118 N/A VAL 241.A N GLN 325.A O no hydrogen 2.891 N/A LEU 243.A N ALA 327.A O no hydrogen 2.857 N/A ASN 244.A N LEU 328.A O no hydrogen 3.332 N/A LYS 245.A N TYR 242.A O no hydrogen 3.363 N/A TYR 246.A N LEU 243.A O no hydrogen 3.049 N/A TYR 246.A OH GLU 288.A OE2 no hydrogen 2.620 N/A LEU 247.A N LEU 243.A O no hydrogen 2.984 N/A GLY 248.A N ASN 244.A O no hydrogen 2.493 N/A VAL 250.A N GLY 248.A O no hydrogen 2.521 N/A LYS 254.A N ARG 264.A O no hydrogen 2.525 N/A VAL 256.A N ARG 262.A O no hydrogen 3.086 N/A GLY 258.A N LEU 326.A O no hydrogen 3.035 N/A ARG 262.A NH2 LYS 89.A O no hydrogen 3.011 N/A LEU 263.A N LEU 316.A O no hydrogen 3.004 N/A ARG 264.A N LYS 254.A O no hydrogen 2.974 N/A THR 266.A N ASN 252.A O no hydrogen 2.712 N/A THR 266.A OG1 ASN 251.A O no hydrogen 2.461 N/A THR 271.A N ASP 267.A O no hydrogen 2.803 N/A THR 271.A OG1 ASP 267.A O no hydrogen 2.450 N/A SER 274.A OG GLU 270.A O no hydrogen 3.551 N/A PHE 275.A N THR 271.A O no hydrogen 3.026 N/A TYR 277.A OH TYR 272.A O no hydrogen 2.452 N/A ALA 281.A N TYR 277.A O no hydrogen 2.814 N/A LYS 282.A N GLU 278.A O no hydrogen 3.064 N/A ASN 283.A N ALA 279.A O no hydrogen 2.972 N/A LEU 284.A N ALA 281.A O no hydrogen 3.280 N/A SER 285.A OG ALA 281.A O no hydrogen 2.547 N/A CYS 286.A SG ILE 637.A O no hydrogen 3.356 N/A ARG 287.A N GLN 291.A OE1 no hydrogen 2.692 N/A ARG 287.A NE ASN 283.A O no hydrogen 2.770 N/A GLU 288.A N GLN 291.A OE1 no hydrogen 3.244 N/A GLN 291.A NE2 LEU 284.A O no hydrogen 3.215 N/A GLN 291.A NE2 PHE 293.A O no hydrogen 3.010 N/A ARG 294.A NH1 TYR 296.A OH no hydrogen 3.509 N/A TYR 296.A N THR 317.A O no hydrogen 2.836 N/A TYR 296.A OH GLU 638.A OE2 no hydrogen 2.495 N/A LYS 298.A N PRO 315.A O no hydrogen 2.907 N/A LYS 298.A NZ ALA 308.A O no hydrogen 3.272 N/A LYS 298.A NZ SER 310.A O no hydrogen 3.115 N/A LYS 298.A NZ ILE 313.A O no hydrogen 3.438 N/A PHE 300.A N LEU 297.A O no hydrogen 2.819 N/A LYS 303.A NZ ASP 572.A OD2 no hydrogen 3.057 N/A ARG 304.A NE LEU 656.A O no hydrogen 3.047 N/A ARG 304.A NH1 ASP 344.A OD1 no hydrogen 2.768 N/A ARG 304.A NH1 ASP 344.A OD2 no hydrogen 3.218 N/A ARG 304.A NH2 ASP 344.A OD2 no hydrogen 2.732 N/A ARG 304.A NH2 LEU 656.A O no hydrogen 3.525 N/A LEU 305.A N PRO 302.A O no hydrogen 3.195 N/A HIS 306.A N LYS 303.A O no hydrogen 3.021 N/A HIS 306.A NE2 ASP 663.A OD1 no hydrogen 3.136 N/A ALA 308.A N GLU 81.A OE1 no hydrogen 3.103 N/A LYS 309.A N GLU 81.A OE1 no hydrogen 3.137 N/A SER 310.A N ALA 308.A O no hydrogen 2.835 N/A ARG 312.A NE ASP 91.A OD2 no hydrogen 3.520 N/A ARG 312.A NH1 TRP 109.A O no hydrogen 2.871 N/A ARG 312.A NH2 GLY 84.A O no hydrogen 2.443 N/A ARG 312.A NH2 TRP 109.A O no hydrogen 2.783 N/A THR 317.A N TYR 296.A O no hydrogen 2.719 N/A THR 317.A OG1 TYR 296.A O no hydrogen 3.124 N/A PHE 318.A N ALA 261.A O no hydrogen 2.799 N/A TYR 319.A N ARG 294.A O no hydrogen 3.041 N/A TYR 319.A OH ASP 344.A OD2 no hydrogen 2.759 N/A ASP 321.A N HIS 292.A O no hydrogen 2.958 N/A TRP 324.A N ASP 321.A O no hydrogen 3.257 N/A LEU 326.A N GLY 258.A O no hydrogen 2.924 N/A ALA 327.A N VAL 241.A O no hydrogen 2.769 N/A GLU 332.A N ASN 329.A O no hydrogen 3.111 N/A GLY 339.A N HIS 189.A O no hydrogen 2.887 N/A PHE 340.A N GLU 233.A O no hydrogen 2.694 N/A HIS 341.A ND1 THR 65.A O no hydrogen 2.936 N/A HIS 341.A NE2 HIS 189.A NE2 no hydrogen 2.938 N/A ASN 345.A ND2 PRO 62.A O no hydrogen 3.230 N/A PHE 347.A N ASP 344.A O no hydrogen 3.051 N/A GLN 350.A NE2 ASN 345.A O no hydrogen 2.992 N/A GLN 350.A NE2 PHE 347.A O no hydrogen 2.991 N/A LEU 352.A N SER 229.A OG no hydrogen 2.657 N/A ILE 354.A N LEU 227.A O no hydrogen 2.926 N/A GLY 355.A N THR 56.A O no hydrogen 2.876 N/A TYR 356.A N LEU 225.A O no hydrogen 2.744 N/A ALA 359.A N ASN 224.A OD1 no hydrogen 3.197 N/A PHE 360.A N GLY 357.A O no hydrogen 3.319 N/A LYS 361.A N LEU 398.A O no hydrogen 3.263 N/A LYS 361.A NZ HIS 397.A O no hydrogen 3.161 N/A HIS 362.A ND1 CYS 54.A O no hydrogen 2.724 N/A GLY 363.A N GLY 55.A O no hydrogen 2.994 N/A ALA 364.A N GLY 55.A O no hydrogen 3.138 N/A VAL 366.A N TYR 57.A O no hydrogen 2.896 N/A SER 368.A N ASP 367.A OD1 no hydrogen 2.770 N/A ASN 371.A N ARG 61.A O no hydrogen 3.158 N/A ASN 371.A ND2 ASN 70.A OD1 no hydrogen 3.501 N/A GLU 373.A N GLU 370.A O no hydrogen 3.338 N/A VAL 374.A N ASN 371.A O no hydrogen 3.346 N/A TYR 375.A OH THR 118.A OG1 no hydrogen 2.916 N/A ASN 376.A ND2 ASN 388.A OD1 no hydrogen 3.594 N/A ASN 376.A ND2 GLY 390.A O no hydrogen 3.188 N/A CYS 378.A SG TYR 375.A O no hydrogen 3.195 N/A ASP 379.A N ASN 376.A O no hydrogen 3.105 N/A LEU 380.A N LEU 377.A O no hydrogen 3.149 N/A LEU 383.A N CYS 378.A O no hydrogen 2.623 N/A ILE 384.A N GLN 122.A OE1 no hydrogen 2.832 N/A ALA 386.A N TYR 375.A OH no hydrogen 2.870 N/A ASN 388.A ND2 ILE 372.A O no hydrogen 3.654 N/A ASN 388.A ND2 ASN 376.A OD1 no hydrogen 3.099 N/A ASN 389.A N GLY 77.A O no hydrogen 2.857 N/A SER 394.A N SER 391.A O no hydrogen 3.154 N/A SER 394.A OG GLU 373.A OE1 no hydrogen 3.132 N/A SER 394.A OG SER 391.A O no hydrogen 2.919 N/A ASN 396.A N GLY 393.A O no hydrogen 3.319 N/A ASN 396.A ND2 TYR 404.A O no hydrogen 2.847 N/A HIS 397.A N HIS 397.A ND1 no hydrogen 2.909 N/A LEU 398.A N LEU 395.A O no hydrogen 3.067 N/A LEU 399.A N ASN 396.A O no hydrogen 3.257 N/A LYS 400.A N ALA 359.A O no hydrogen 3.052 N/A LYS 400.A NZ ILE 11.A O no hydrogen 3.031 N/A LYS 400.A NZ PRO 358.A O no hydrogen 2.546 N/A LYS 400.A NZ PHE 360.A O no hydrogen 2.541 N/A LYS 400.A NZ HIS 362.A NE2 no hydrogen 3.198 N/A GLU 412.A N ILE 449.A O no hydrogen 3.013 N/A GLY 413.A N ILE 449.A O no hydrogen 3.079 N/A PHE 414.A N HIS 454.A O no hydrogen 2.770 N/A SER 416.A N VAL 456.A O no hydrogen 2.990 N/A LYS 421.A N LEU 493.A O no hydrogen 3.431 N/A SER 422.A OG SER 422.A O no hydrogen 2.646 N/A SER 424.A OG GLN 491.A OE1 no hydrogen 3.182 N/A CYS 429.A SG LEU 427.A O no hydrogen 3.623 N/A TYR 439.A N ASP 435.A O no hydrogen 3.031 N/A HIS 440.A N ASP 436.A O no hydrogen 3.318 N/A THR 441.A OG1 ILE 438.A O no hydrogen 3.293 N/A THR 441.A OG1 TYR 439.A O no hydrogen 2.773 N/A VAL 442.A N TYR 439.A O no hydrogen 2.966 N/A TYR 444.A OH PRO 617.A O no hydrogen 2.746 N/A GLY 445.A N VAL 442.A O no hydrogen 3.143 N/A ARG 446.A NH1 GLU 411.A OE1 no hydrogen 3.339 N/A ARG 446.A NH2 GLU 411.A OE2 no hydrogen 2.410 N/A ARG 448.A N SER 671.A O no hydrogen 2.930 N/A ARG 448.A NE ARG 446.A O no hydrogen 3.009 N/A ILE 449.A N GLU 411.A OE2 no hydrogen 2.804 N/A LEU 450.A N GLY 669.A O no hydrogen 2.809 N/A HIS 454.A NE2 SER 469.A OG no hydrogen 2.250 N/A ARG 455.A N ASP 471.A OD2 no hydrogen 3.130 N/A VAL 456.A N PHE 414.A O no hydrogen 3.352 N/A CYS 457.A N TYR 468.A O no hydrogen 2.675 N/A CYS 457.A SG SER 416.A O no hydrogen 3.355 N/A CYS 457.A SG SER 416.A OG no hydrogen 3.588 N/A LEU 459.A N THR 466.A O no hydrogen 2.900 N/A GLN 461.A N GLN 460.A OE1 no hydrogen 3.152 N/A GLN 461.A N PHE 464.A O no hydrogen 2.956 N/A GLN 461.A NE2 LEU 459.A O no hydrogen 2.809 N/A GLN 461.A NE2 PHE 464.A O no hydrogen 2.763 N/A GLN 462.A N TYR 526.A OH no hydrogen 2.873 N/A GLN 462.A N GLU 528.A OE1 no hydrogen 3.015 N/A LEU 465.A N SER 478.A O no hydrogen 2.978 N/A THR 466.A N LEU 459.A O no hydrogen 3.090 N/A THR 466.A OG1 TRP 476.A O no hydrogen 3.144 N/A GLY 467.A N TRP 476.A O no hydrogen 2.854 N/A TYR 468.A N CYS 457.A O no hydrogen 2.708 N/A SER 469.A OG HIS 454.A NE2 no hydrogen 2.250 N/A LEU 470.A N ARG 455.A O no hydrogen 3.061 N/A LEU 472.A N SER 469.A OG no hydrogen 3.134 N/A LEU 475.A N GLY 467.A O no hydrogen 2.660 N/A TRP 476.A N GLY 467.A O no hydrogen 3.458 N/A ALA 477.A N SER 567.A O no hydrogen 2.758 N/A SER 478.A N LEU 465.A O no hydrogen 2.836 N/A SER 478.A OG THR 441.A O no hydrogen 2.912 N/A TYR 479.A N VAL 565.A O no hydrogen 2.825 N/A PHE 481.A N ILE 563.A O no hydrogen 2.754 N/A TYR 490.A N LEU 530.A O no hydrogen 2.782 N/A ASP 492.A N THR 532.A OG1 no hydrogen 2.700 N/A ARG 494.A N ASP 492.A OD1 no hydrogen 3.114 N/A ARG 494.A NE ASP 492.A OD1 no hydrogen 3.000 N/A ARG 494.A NH1 GLN 460.A O no hydrogen 3.058 N/A ARG 494.A NH2 GLN 461.A OE1 no hydrogen 2.604 N/A ARG 494.A NH2 ASP 492.A OD2 no hydrogen 3.176 N/A ILE 495.A N ASP 492.A O no hydrogen 3.163 N/A SER 498.A N HIS 501.A ND1 no hydrogen 3.418 N/A HIS 501.A N SER 498.A O no hydrogen 2.908 N/A CYS 503.A N LEU 427.A O no hydrogen 3.138 N/A CYS 503.A SG ASN 487.A O no hydrogen 3.461 N/A TYR 505.A N LYS 502.A O no hydrogen 3.070 N/A TYR 505.A OH ILE 592.A O no hydrogen 2.601 N/A TYR 506.A N CYS 503.A O no hydrogen 2.963 N/A TYR 506.A OH VAL 500.A O no hydrogen 2.624 N/A GLY 515.A N VAL 536.A O no hydrogen 2.781 N/A LEU 517.A N ASN 534.A O no hydrogen 3.285 N/A THR 518.A N ASN 534.A OD1 no hydrogen 3.333 N/A TYR 526.A N LEU 522.A O no hydrogen 3.343 N/A LEU 530.A N SER 527.A O no hydrogen 2.866 N/A LEU 531.A N GLU 528.A O no hydrogen 3.314 N/A THR 532.A N TYR 490.A O no hydrogen 2.763 N/A SER 533.A OG ASP 492.A OD2 no hydrogen 2.283 N/A ASN 534.A N LEU 531.A O no hydrogen 3.146 N/A ASN 534.A ND2 THR 518.A O no hydrogen 3.287 N/A ASN 534.A ND2 ALA 529.A O no hydrogen 3.121 N/A VAL 536.A N GLY 515.A O no hydrogen 2.860 N/A GLN 539.A N LYS 511.A O no hydrogen 2.862 N/A PHE 541.A N TYR 538.A O no hydrogen 3.255 N/A GLN 542.A N TYR 538.A O no hydrogen 3.179 N/A ILE 544.A N PHE 541.A O no hydrogen 2.950 N/A TRP 545.A N PHE 541.A O no hydrogen 2.769 N/A TRP 545.A NE1 PHE 516.A O no hydrogen 2.652 N/A HIS 546.A N GLN 542.A O no hydrogen 2.971 N/A LEU 548.A N ILE 544.A O no hydrogen 3.021 N/A HIS 549.A N HIS 546.A O no hydrogen 3.200 N/A HIS 549.A ND1 TRP 545.A O no hydrogen 2.681 N/A ASP 550.A N HIS 546.A O no hydrogen 2.750 N/A THR 551.A N TYR 547.A O no hydrogen 3.160 N/A LEU 552.A N TYR 547.A O no hydrogen 3.292 N/A LEU 553.A N LEU 548.A O no hydrogen 2.994 N/A ARG 555.A N THR 551.A O no hydrogen 3.239 N/A ARG 555.A NH1 GLU 651.A OE1 no hydrogen 3.325 N/A TYR 556.A N LEU 552.A O no hydrogen 2.875 N/A ALA 557.A N LEU 553.A O no hydrogen 3.191 N/A HIS 558.A N ARG 555.A O no hydrogen 3.210 N/A HIS 558.A ND1 GLN 554.A O no hydrogen 2.973 N/A GLU 559.A N ARG 555.A O no hydrogen 3.069 N/A ARG 560.A N TYR 556.A O no hydrogen 2.920 N/A ARG 560.A NH2 LEU 607.A O no hydrogen 3.485 N/A ASN 561.A ND2 ASN 561.A O no hydrogen 2.684 N/A ASN 561.A ND2 GLU 615.A O no hydrogen 3.429 N/A GLY 562.A N ALA 557.A O no hydrogen 2.518 N/A ILE 563.A N PHE 481.A O no hydrogen 2.771 N/A ASN 564.A N THR 608.A O no hydrogen 2.845 N/A ASN 564.A ND2 THR 441.A O no hydrogen 3.487 N/A ASN 564.A ND2 THR 480.A OG1 no hydrogen 2.938 N/A VAL 565.A N TYR 479.A O no hydrogen 2.730 N/A VAL 566.A N VAL 606.A O no hydrogen 3.202 N/A SER 567.A N ALA 477.A O no hydrogen 3.006 N/A GLY 568.A N PHE 604.A O no hydrogen 3.167 N/A VAL 570.A N HIS 602.A O no hydrogen 2.752 N/A ASP 572.A N THR 601.A OG1 no hydrogen 3.227 N/A PHE 573.A N ASP 580.A OD2 no hydrogen 2.687 N/A TYR 575.A N ASP 572.A O no hydrogen 3.399 N/A GLY 577.A N ASP 572.A OD2 no hydrogen 2.842 N/A ARG 578.A N ASP 576.A OD1 no hydrogen 3.236 N/A TYR 579.A N LEU 666.A O no hydrogen 3.254 N/A LEU 585.A N SER 581.A O no hydrogen 3.046 N/A LYS 586.A N LEU 582.A O no hydrogen 3.263 N/A GLN 587.A N ILE 584.A O no hydrogen 3.205 N/A ASN 588.A N ILE 584.A O no hydrogen 3.266 N/A ASN 588.A ND2 ILE 584.A O no hydrogen 2.565 N/A SER 589.A OG LYS 586.A O no hydrogen 2.803 N/A ILE 592.A N GLN 595.A O no hydrogen 2.877 N/A ARG 593.A NH2 LEU 512.A O no hydrogen 2.123 N/A GLN 595.A N ILE 592.A O no hydrogen 3.111 N/A ILE 597.A N ARG 590.A O no hydrogen 2.880 N/A THR 601.A N VAL 570.A O no hydrogen 2.767 N/A THR 601.A OG1 VAL 570.A O no hydrogen 3.022 N/A THR 601.A OG1 HIS 602.A ND1 no hydrogen 2.758 N/A HIS 602.A N VAL 570.A O no hydrogen 3.145 N/A HIS 602.A ND1 THR 601.A OG1 no hydrogen 2.758 N/A PHE 603.A N LEU 630.A O no hydrogen 2.829 N/A PHE 604.A N GLY 568.A O no hydrogen 2.899 N/A ILE 605.A N TYR 628.A O no hydrogen 3.013 N/A VAL 606.A N VAL 566.A O no hydrogen 2.863 N/A LEU 607.A N SER 626.A O no hydrogen 2.826 N/A THR 608.A N ASN 564.A O no hydrogen 2.985 N/A THR 608.A OG1 TYR 673.A OH no hydrogen 2.360 N/A SER 609.A N GLU 624.A O no hydrogen 2.910 N/A SER 609.A OG GLY 562.A O no hydrogen 3.086 N/A CYS 610.A SG THR 616.A O no hydrogen 3.102 N/A LYS 611.A N ALA 622.A O no hydrogen 3.180 N/A LYS 611.A NZ GLU 624.A OE2 no hydrogen 3.332 N/A GLU 615.A N GLN 612.A O no hydrogen 3.019 N/A THR 616.A N GLU 619.A OE1 no hydrogen 3.153 N/A GLU 619.A N THR 616.A O no hydrogen 2.739 N/A CYS 620.A SG TYR 444.A OH no hydrogen 3.809 N/A CYS 620.A SG THR 616.A O no hydrogen 3.777 N/A SER 621.A N GLU 615.A OE1 no hydrogen 2.996 N/A SER 621.A OG GLU 615.A OE1 no hydrogen 3.490 N/A SER 621.A OG GLU 615.A OE2 no hydrogen 2.759 N/A GLU 624.A N SER 609.A O no hydrogen 2.629 N/A SER 625.A OG TYR 673.A OH no hydrogen 2.651 N/A SER 626.A N LEU 607.A O no hydrogen 2.860 N/A SER 626.A OG LEU 607.A O no hydrogen 3.531 N/A TYR 628.A N ILE 605.A O no hydrogen 2.918 N/A ILE 629.A N HIS 657.A O no hydrogen 3.055 N/A LEU 630.A N PHE 603.A O no hydrogen 2.947 N/A HIS 632.A N THR 601.A O no hydrogen 2.857 N/A HIS 632.A ND1 PRO 600.A O no hydrogen 2.955 N/A ASN 636.A ND2 SER 540.A O no hydrogen 3.366 N/A SER 639.A N ASN 636.A O no hydrogen 3.374 N/A CYS 640.A SG ILE 637.A O no hydrogen 3.822 N/A THR 641.A OG1 ASN 636.A O no hydrogen 3.461 N/A LYS 644.A N THR 641.A O no hydrogen 2.675 N/A SER 648.A N ARG 645.A O no hydrogen 3.181 N/A SER 648.A OG ARG 645.A O no hydrogen 2.494 N/A TRP 649.A N ARG 645.A O no hydrogen 3.502 N/A GLU 652.A N SER 648.A O no hydrogen 3.397 N/A LEU 653.A N TRP 649.A O no hydrogen 3.090 N/A LEU 653.A N VAL 650.A O no hydrogen 2.978 N/A LEU 654.A N VAL 650.A O no hydrogen 2.953 N/A THR 655.A N GLU 651.A O no hydrogen 3.042 N/A LEU 656.A N GLU 652.A O no hydrogen 3.268 N/A HIS 657.A N LEU 653.A O no hydrogen 3.078 N/A HIS 657.A NE2 GLU 638.A OE2 no hydrogen 2.744 N/A ALA 659.A N ALA 627.A O no hydrogen 2.981 N/A ARG 660.A N ASP 663.A OD2 no hydrogen 3.332 N/A ARG 660.A NE ASP 663.A OD1 no hydrogen 2.681 N/A ARG 660.A NH2 ASP 663.A OD1 no hydrogen 2.900 N/A THR 662.A N LYS 687.A O no hydrogen 2.893 N/A VAL 664.A N ARG 660.A O no hydrogen 3.277 N/A GLU 665.A N VAL 661.A O no hydrogen 2.901 N/A LEU 666.A N THR 662.A O no hydrogen 2.819 N/A ILE 667.A N ASP 663.A O no hydrogen 3.181 N/A THR 668.A N VAL 664.A O no hydrogen 3.020 N/A THR 668.A OG1 VAL 664.A O no hydrogen 2.577 N/A GLY 669.A N GLU 665.A O no hydrogen 2.793 N/A SER 671.A N ARG 448.A O no hydrogen 3.003 N/A PHE 672.A N GLU 665.A OE2 no hydrogen 2.842 N/A TYR 673.A OH THR 608.A OG1 no hydrogen 2.360 N/A TYR 673.A OH SER 625.A OG no hydrogen 2.651 N/A GLN 674.A NE2 PRO 409.A O no hydrogen 3.153 N/A GLN 674.A NE2 SER 671.A OG no hydrogen 2.952 N/A ARG 676.A N TYR 673.A O no hydrogen 3.306 N/A ARG 676.A NE GLU 678.A OE2 no hydrogen 2.703 N/A ARG 676.A NH1 CYS 620.A O no hydrogen 3.325 N/A ARG 676.A NH2 CYS 620.A O no hydrogen 2.460 N/A GLN 677.A NE2 SER 621.A O no hydrogen 2.954 N/A SER 679.A N GLU 682.A OE1 no hydrogen 3.124 N/A SER 679.A OG GLU 682.A OE1 no hydrogen 3.103 N/A SER 681.A OG GLY 393.A O no hydrogen 2.635 N/A GLU 682.A N SER 679.A OG no hydrogen 3.418 N/A LEU 683.A N SER 679.A O no hydrogen 2.880 N/A LEU 684.A N VAL 680.A O no hydrogen 2.737 N/A ARG 685.A N SER 681.A O no hydrogen 3.120 N/A LEU 686.A N GLU 682.A O no hydrogen 3.008 N/A LYS 687.A N LEU 683.A O no hydrogen 3.007 N/A LYS 687.A NZ GLU 665.A OE2 no hydrogen 2.929 N/A LYS 687.A NZ PHE 672.A O no hydrogen 3.111 N/A THR 688.A N LEU 684.A O no hydrogen 3.096 N/A THR 688.A OG1 LEU 684.A O no hydrogen 2.856 N/A THR 688.A OG1 ARG 685.A O no hydrogen 3.534 N/A PHE 693.A N LEU 346.A O no hydrogen 2.630 N/A