Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wa0_J.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N GLY 254.A O no hydrogen 3.325 N/A SER 7.A N THR 4.A O no hydrogen 3.160 N/A SER 7.A OG THR 4.A O no hydrogen 2.708 N/A GLN 8.A NE2 PRO 5.A O no hydrogen 3.425 N/A LEU 9.A N ALA 6.A O no hydrogen 3.005 N/A GLU 10.A N GLU 34.A O no hydrogen 3.159 N/A PHE 16.A N ASP 13.A O no hydrogen 3.378 N/A LYS 18.A N PRO 14.A O no hydrogen 3.344 N/A ILE 19.A N ASP 15.A O no hydrogen 3.285 N/A TYR 21.A N TYR 17.A O no hydrogen 2.778 N/A VAL 22.A N LYS 18.A O no hydrogen 3.172 N/A ARG 23.A NH1 ILE 19.A O no hydrogen 3.507 N/A PHE 25.A N GLY 20.A O no hydrogen 3.320 N/A PHE 25.A N ARG 23.A O no hydrogen 2.928 N/A ARG 26.A N GLU 58.A O no hydrogen 3.477 N/A ARG 26.A NH1 TYR 21.A O no hydrogen 3.089 N/A ARG 26.A NH1 PHE 25.A O no hydrogen 2.808 N/A ALA 27.A N TYR 17.A OH no hydrogen 3.410 N/A TYR 28.A N ILE 56.A O no hydrogen 2.805 N/A TYR 28.A OH GLU 58.A OE1 no hydrogen 3.271 N/A GLU 31.A N PHE 42.A O no hydrogen 3.032 N/A ARG 33.A N GLY 40.A O no hydrogen 3.099 N/A ARG 33.A NH1 LEU 9.A O no hydrogen 3.119 N/A GLU 34.A N GLU 10.A O no hydrogen 2.845 N/A GLY 40.A N ARG 33.A O no hydrogen 2.869 N/A ALA 43.A N ASP 255.A O no hydrogen 3.089 N/A VAL 47.A N ILE 251.A O no hydrogen 3.336 N/A ILE 56.A N VAL 243.A O no hydrogen 2.965 N/A MET 57.A N VAL 243.A O no hydrogen 3.496 N/A GLU 58.A N ARG 26.A O no hydrogen 3.103 N/A ILE 59.A N LEU 241.A O no hydrogen 2.945 N/A LEU 61.A N ARG 239.A O no hydrogen 3.185 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 3.194 N/A MET 64.A N LEU 61.A O no hydrogen 2.991 N/A LEU 65.A N LEU 215.A O no hydrogen 3.206 N/A ILE 67.A N ASN 213.A O no hydrogen 3.153 N/A SER 68.A OG LYS 70.A O no hydrogen 3.540 N/A SER 68.A OG PRO 72.A O no hydrogen 3.207 N/A LYS 69.A N ASP 211.A O no hydrogen 3.028 N/A MET 74.A N SER 68.A OG no hydrogen 3.243 N/A ILE 86.A N HIS 84.A ND1 no hydrogen 3.303 N/A ILE 90.A N ILE 86.A O no hydrogen 3.153 N/A ASN 91.A N PHE 87.A O no hydrogen 2.793 N/A SER 92.A N ASP 88.A O no hydrogen 3.227 N/A SER 92.A OG ASP 88.A O no hydrogen 3.102 N/A SER 92.A OG ILE 89.A O no hydrogen 2.822 N/A THR 93.A OG1 ILE 90.A O no hydrogen 2.667 N/A LEU 101.A N ASP 100.A OD1 no hydrogen 2.861 N/A ARG 102.A NH1 ASN 94.A O no hydrogen 3.144 N/A ARG 102.A NH2 PRO 95.A O no hydrogen 3.488 N/A LEU 103.A N SER 99.A O no hydrogen 3.075 N/A ALA 104.A N ASP 100.A O no hydrogen 2.971 N/A CYS 105.A N LEU 101.A O no hydrogen 3.192 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.370 N/A LEU 106.A N ARG 102.A O no hydrogen 3.316 N/A LEU 107.A N LEU 103.A O no hydrogen 3.151 N/A LEU 108.A N ALA 104.A O no hydrogen 3.145 N/A TYR 109.A N CYS 105.A O no hydrogen 3.165 N/A ALA 110.A N LEU 106.A O no hydrogen 3.072 N/A PHE 111.A N LEU 107.A O no hydrogen 3.234 N/A ASP 112.A N TYR 109.A O no hydrogen 2.924 N/A CYS 113.A N ALA 110.A O no hydrogen 3.175 N/A CYS 113.A SG LYS 114.A O no hydrogen 3.860 N/A TRP 118.A N ASN 116.A OD1 no hydrogen 3.169 N/A TRP 118.A NE1 LEU 63.A O no hydrogen 2.871 N/A GLN 119.A N ASN 116.A O no hydrogen 3.008 N/A GLN 119.A NE2 PHE 111.A O no hydrogen 3.039 N/A TYR 121.A N PHE 117.A O no hydrogen 2.864 N/A GLY 122.A N TRP 118.A O no hydrogen 2.868 N/A PHE 124.A N TYR 121.A O no hydrogen 2.841 N/A LEU 125.A N GLY 122.A O no hydrogen 3.132 N/A SER 127.A N GLU 130.A OE2 no hydrogen 3.387 N/A SER 127.A OG ASP 128.A OD1 no hydrogen 3.066 N/A ASP 129.A N ASP 128.A OD1 no hydrogen 2.821 N/A THR 132.A OG1 TYR 274.A O no hydrogen 2.994 N/A LEU 135.A N SER 133.A OG no hydrogen 3.340 N/A THR 138.A OG1 GLU 140.A OE1 no hydrogen 3.557 N/A LEU 142.A N THR 138.A O no hydrogen 3.372 N/A LEU 143.A N GLU 139.A O no hydrogen 3.058 N/A GLU 144.A N GLU 140.A O no hydrogen 3.048 N/A LEU 145.A N LEU 142.A O no hydrogen 3.408 N/A GLN 146.A N LEU 143.A O no hydrogen 3.264 N/A LEU 150.A N ASP 147.A OD2 no hydrogen 3.207 N/A ALA 151.A N ASP 147.A O no hydrogen 3.324 N/A SER 152.A N GLU 148.A O no hydrogen 2.996 N/A THR 153.A N LYS 149.A O no hydrogen 3.200 N/A THR 153.A OG1 LYS 149.A O no hydrogen 3.450 N/A THR 153.A OG1 LEU 150.A O no hydrogen 2.624 N/A MET 154.A N LEU 150.A O no hydrogen 3.197 N/A ARG 155.A N ALA 151.A O no hydrogen 3.316 N/A GLU 156.A N SER 152.A O no hydrogen 3.189 N/A GLN 157.A N THR 153.A O no hydrogen 3.038 N/A GLN 158.A N MET 154.A O no hydrogen 2.897 N/A GLN 159.A N ARG 155.A O no hydrogen 3.022 N/A ARG 160.A N GLU 156.A O no hydrogen 3.086 N/A ARG 160.A NH2 ASP 100.A OD1 no hydrogen 2.980 N/A ALA 161.A N GLN 157.A O no hydrogen 3.261 N/A LEU 162.A N GLN 158.A O no hydrogen 3.347 N/A GLU 163.A N GLN 159.A O no hydrogen 3.015 N/A PHE 164.A N ARG 160.A O no hydrogen 3.337 N/A TRP 165.A N ALA 161.A O no hydrogen 3.385 N/A TRP 165.A NE1 ALA 181.A O no hydrogen 3.031 N/A GLU 166.A N LEU 162.A O no hydrogen 3.079 N/A LYS 167.A N GLU 163.A O no hydrogen 3.041 N/A LYS 167.A NZ ASN 168.A OD1 no hydrogen 2.709 N/A ASN 168.A N PHE 164.A O no hydrogen 3.062 N/A TRP 169.A N TRP 165.A O no hydrogen 2.869 N/A TRP 169.A NE1 ILE 177.A O no hydrogen 2.828 N/A ALA 172.A N HIS 170.A ND1 no hydrogen 3.214 N/A LYS 178.A N PRO 174.A O no hydrogen 3.178 N/A LYS 178.A NZ SER 171.A O no hydrogen 3.553 N/A ARG 179.A N LEU 175.A O no hydrogen 2.933 N/A ARG 179.A NE ASP 112.A OD2 no hydrogen 2.927 N/A LEU 180.A N ILE 177.A O no hydrogen 3.271 N/A ILE 188.A N PRO 184.A O no hydrogen 3.413 N/A TRP 189.A N GLU 185.A O no hydrogen 2.890 N/A TRP 189.A NE1 PRO 126.A O no hydrogen 2.848 N/A ALA 190.A N ARG 186.A O no hydrogen 3.122 N/A MET 191.A N PHE 187.A O no hydrogen 2.935 N/A CYS 192.A N ILE 188.A O no hydrogen 3.041 N/A CYS 192.A N TRP 189.A O no hydrogen 3.085 N/A CYS 192.A SG SER 133.A OG no hydrogen 3.350 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.244 N/A ILE 193.A N TRP 189.A O no hydrogen 2.937 N/A ALA 194.A N ALA 190.A O no hydrogen 3.008 N/A GLN 195.A N MET 191.A O no hydrogen 3.015 N/A SER 196.A N CYS 192.A O no hydrogen 3.204 N/A ARG 197.A N ILE 193.A O no hydrogen 2.921 N/A SER 198.A N ALA 194.A O no hydrogen 3.202 N/A SER 198.A OG ALA 194.A O no hydrogen 3.159 N/A ILE 199.A N LEU 214.A O no hydrogen 3.020 N/A LEU 201.A N ALA 212.A O no hydrogen 3.312 N/A MET 203.A N GLN 210.A O no hydrogen 2.814 N/A ARG 204.A NE GLY 206.A O no hydrogen 3.043 N/A ILE 205.A N LEU 208.A O no hydrogen 3.241 N/A LEU 208.A N ILE 205.A O no hydrogen 3.132 N/A GLN 210.A N MET 203.A O no hydrogen 3.021 N/A ALA 212.A N LEU 201.A O no hydrogen 2.916 N/A ASN 213.A N ILE 67.A O no hydrogen 2.995 N/A LEU 214.A N ILE 199.A O no hydrogen 2.908 N/A LEU 215.A N LEU 65.A O no hydrogen 2.927 N/A TYR 218.A N TYR 121.A OH no hydrogen 3.094 N/A TYR 218.A OH PHE 16.A O no hydrogen 2.632 N/A ASN 223.A ND2 GLU 256.A OE2 no hydrogen 3.330 N/A CYS 230.A N THR 258.A O no hydrogen 3.064 N/A PHE 231.A N MET 244.A O no hydrogen 2.902 N/A HIS 233.A N GLU 242.A O no hydrogen 2.933 N/A TRP 234.A NE1 ARG 204.A O no hydrogen 3.011 N/A ARG 235.A N MET 240.A O no hydrogen 2.982 N/A ARG 235.A NE GLU 242.A OE2 no hydrogen 2.885 N/A ARG 235.A NH1 ASP 238.A OD2 no hydrogen 3.143 N/A ARG 235.A NH2 GLU 58.A OE2 no hydrogen 2.909 N/A ARG 235.A NH2 GLU 242.A OE2 no hydrogen 2.709 N/A ARG 239.A N PHE 236.A O no hydrogen 3.197 N/A MET 240.A N ARG 235.A O no hydrogen 3.179 N/A LEU 241.A N ILE 59.A O no hydrogen 2.969 N/A GLU 242.A N HIS 233.A O no hydrogen 2.885 N/A VAL 243.A N MET 57.A O no hydrogen 3.072 N/A MET 244.A N PHE 231.A O no hydrogen 2.890 N/A ILE 245.A N ARG 54.A O no hydrogen 3.009 N/A ASN 246.A N ASN 229.A O no hydrogen 3.048 N/A GLY 248.A N LEU 50.A O no hydrogen 3.177 N/A GLN 249.A NE2 ASN 229.A OD1 no hydrogen 3.144 N/A ILE 251.A N VAL 47.A O no hydrogen 3.355 N/A LYS 253.A N ASP 46.A OD2 no hydrogen 3.348 N/A GLY 254.A N ALA 43.A O no hydrogen 3.425 N/A ASP 255.A N ARG 252.A O no hydrogen 3.291 N/A MET 257.A N VAL 41.A O no hydrogen 3.170 N/A VAL 259.A N ASN 223.A O no hydrogen 3.058 N/A TYR 261.A N HIS 224.A ND1 no hydrogen 2.682 N/A TYR 261.A OH MET 222.A O no hydrogen 2.719 N/A ASN 267.A ND2 SER 278.A O no hydrogen 2.922 N/A PHE 269.A N LYS 266.A O no hydrogen 3.255 N/A MET 271.A N ASN 267.A O no hydrogen 3.311 N/A GLN 272.A N ASN 268.A O no hydrogen 3.233 N/A ARG 273.A N PHE 269.A O no hydrogen 3.064 N/A TYR 274.A N PHE 270.A O no hydrogen 2.669 N/A GLY 275.A N MET 271.A O no hydrogen 3.197 N/A ASN 281.A ND2 GLN 265.A O no hydrogen 3.495 N/A ASP 284.A N ASN 281.A O no hydrogen 3.329 N/A VAL 285.A N ASP 284.A OD1 no hydrogen 2.861 N/A LYS 293.A NZ THR 339.A O no hydrogen 3.475 N/A HIS 295.A ND1 TRP 340.A O no hydrogen 2.702 N/A LEU 296.A N TRP 340.A O no hydrogen 3.373 N/A PHE 299.A N LEU 296.A O no hydrogen 2.917 N/A LEU 300.A N LEU 296.A O no hydrogen 3.375 N/A SER 301.A N ASP 297.A O no hydrogen 3.140 N/A SER 301.A OG ASP 297.A O no hydrogen 2.877 N/A VAL 302.A N THR 298.A O no hydrogen 3.106 N/A PHE 303.A N PHE 299.A O no hydrogen 3.464 N/A ASN 304.A N SER 301.A O no hydrogen 3.326 N/A ILE 305.A N LEU 300.A O no hydrogen 2.960 N/A SER 306.A N TYR 313.A O no hydrogen 2.827 N/A SER 306.A OG TYR 313.A O no hydrogen 3.087 N/A TYR 313.A N SER 306.A O no hydrogen 2.964 N/A ASN 315.A N ASN 304.A O no hydrogen 3.203 N/A SER 316.A OG HIS 314.A O no hydrogen 3.532 N/A ALA 329.A N ASP 327.A OD1 no hydrogen 3.098 N/A ILE 331.A N ASP 327.A O no hydrogen 3.348 N/A ALA 332.A N GLY 328.A O no hydrogen 2.915 N/A ALA 333.A N ALA 329.A O no hydrogen 2.805 N/A ALA 334.A N ILE 330.A O no hydrogen 3.074 N/A ALA 334.A N ILE 331.A O no hydrogen 3.002 N/A THR 336.A N ALA 332.A O no hydrogen 3.324 N/A THR 336.A OG1 ILE 286.A O no hydrogen 2.711 N/A LEU 337.A N ALA 333.A O no hydrogen 3.170 N/A TRP 340.A N ILE 294.A O no hydrogen 2.963 N/A GLU 352.A N ILE 348.A O no hydrogen 3.133 N/A ARG 353.A N SER 350.A O no hydrogen 3.104 N/A ARG 353.A NH2 GLU 352.A OE2 no hydrogen 3.099 N/A ARG 353.A NH2 GLN 416.A O no hydrogen 2.873 N/A VAL 356.A N GLU 352.A O no hydrogen 3.036 N/A LYS 357.A N ARG 353.A O no hydrogen 3.398 N/A GLU 358.A N LYS 354.A O no hydrogen 3.192 N/A LEU 359.A N ALA 355.A O no hydrogen 3.013 N/A GLN 360.A N VAL 356.A O no hydrogen 2.991 N/A GLU 361.A N LYS 357.A O no hydrogen 3.010 N/A GLU 361.A N GLU 358.A O no hydrogen 3.180 N/A GLU 362.A N GLU 358.A O no hydrogen 3.447 N/A CYS 363.A N LEU 359.A O no hydrogen 3.295 N/A CYS 363.A SG LEU 359.A O no hydrogen 3.882 N/A HIS 364.A N GLN 360.A O no hydrogen 3.068 N/A GLN 365.A N GLU 361.A O no hydrogen 3.078 N/A MET 366.A N GLU 362.A O no hydrogen 2.952 N/A LEU 367.A N CYS 363.A O no hydrogen 2.992 N/A ALA 368.A N HIS 364.A O no hydrogen 3.178 N/A GLU 369.A N GLN 365.A O no hydrogen 3.285 N/A THR 372.A OG1 ASP 377.A OD1 no hydrogen 2.933 N/A GLU 376.A N THR 373.A OG1 no hydrogen 3.328 N/A ASP 377.A N THR 373.A O no hydrogen 3.142 N/A GLN 378.A N SER 374.A O no hydrogen 3.242 N/A LYS 379.A N ASP 375.A O no hydrogen 3.329 N/A LYS 379.A NZ LYS 379.A O no hydrogen 3.356 N/A LYS 379.A NZ ASP 382.A OD1 no hydrogen 3.108 N/A ILE 380.A N GLU 376.A O no hydrogen 3.247 N/A LEU 381.A N ASP 377.A O no hydrogen 3.090 N/A ASP 382.A N GLN 378.A O no hydrogen 2.762 N/A SER 383.A N LYS 379.A O no hydrogen 2.824 N/A SER 383.A N ILE 380.A O no hydrogen 3.109 N/A CYS 387.A SG MET 384.A O no hydrogen 3.788 N/A CYS 387.A SG ARG 388.A O no hydrogen 3.800 N/A ARG 389.A NH2 PRO 36.A O no hydrogen 3.336 N/A THR 390.A OG1 ASP 141.A OD2 no hydrogen 3.194 N/A GLU 392.A N ARG 388.A O no hydrogen 3.380 N/A ALA 393.A N ARG 389.A O no hydrogen 3.203 N/A ALA 394.A N THR 390.A O no hydrogen 3.056 N/A ILE 395.A N LEU 391.A O no hydrogen 3.143 N/A LYS 396.A N GLU 392.A O no hydrogen 2.992 N/A TYR 397.A N ALA 393.A O no hydrogen 2.949 N/A ARG 398.A N ALA 394.A O no hydrogen 3.333 N/A LEU 399.A N ILE 395.A O no hydrogen 3.061 N/A HIS 400.A N LYS 396.A O no hydrogen 3.063 N/A ARG 401.A N TYR 397.A O no hydrogen 3.079 N/A LYS 402.A N ARG 398.A O no hydrogen 3.133 N/A LYS 402.A NZ ARG 398.A O no hydrogen 3.540 N/A LEU 403.A N LEU 399.A O no hydrogen 2.889 N/A LEU 404.A N HIS 400.A O no hydrogen 3.114 N/A ILE 405.A N ARG 401.A O no hydrogen 3.260 N/A GLU 406.A N LYS 402.A O no hydrogen 3.013 N/A LYS 407.A N LEU 403.A O no hydrogen 2.941 N/A VAL 408.A N LEU 404.A O no hydrogen 3.063 N/A ILE 409.A N ILE 405.A O no hydrogen 3.363 N/A GLN 410.A N GLU 406.A O no hydrogen 3.159 N/A ALA 411.A N LYS 407.A O no hydrogen 2.904 N/A LEU 412.A N VAL 408.A O no hydrogen 2.857 N/A ASP 413.A N ILE 409.A O no hydrogen 3.344 N/A ILE 414.A N GLN 410.A O no hydrogen 3.428 N/A TYR 415.A N ALA 411.A O no hydrogen 3.273 N/A TYR 415.A N LEU 412.A O no hydrogen 3.194 N/A GLN 416.A N ASP 413.A O no hydrogen 2.916 N/A ASP 417.A N ASP 413.A O no hydrogen 3.403 N/A ARG 418.A N ILE 414.A O no hydrogen 3.182 N/A ILE 419.A N TYR 415.A O no hydrogen 3.050 N/A ILE 419.A N GLN 416.A O no hydrogen 3.323 N/A