Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3io4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 9.A N THR 36.A O no hydrogen 3.052 N/A TRP 10.A N ILE 59.A O no hydrogen 3.133 N/A TRP 10.A NE1 GLU 38.A OE2 no hydrogen 3.112 N/A ILE 11.A N GLU 38.A O no hydrogen 2.921 N/A LYS 15.A N ASN 12.A O no hydrogen 2.950 N/A LYS 15.A NZ ASP 14.A OD1 no hydrogen 2.817 N/A ALA 21.A N TYR 17.A O no hydrogen 2.378 N/A GLU 22.A N ASN 18.A O no hydrogen 2.545 N/A VAL 23.A N GLY 19.A O no hydrogen 3.144 N/A VAL 23.A N LEU 20.A O no hydrogen 2.808 N/A GLY 24.A N LEU 20.A O no hydrogen 3.084 N/A LYS 25.A N ALA 21.A O no hydrogen 3.110 N/A PHE 27.A N VAL 23.A O no hydrogen 2.699 N/A GLU 28.A N GLY 24.A O no hydrogen 3.301 N/A LYS 29.A N LYS 25.A O no hydrogen 3.315 N/A ASP 30.A N PHE 27.A O no hydrogen 2.973 N/A THR 31.A N PHE 27.A O no hydrogen 3.323 N/A THR 31.A OG1 PHE 27.A O no hydrogen 3.453 N/A LYS 34.A NZ GLU 28.A OE2 no hydrogen 2.770 N/A THR 36.A N LEU 7.A O no hydrogen 3.402 N/A GLU 44.A N GLU 44.A OE2 no hydrogen 2.768 N/A LYS 46.A N LYS 42.A O no hydrogen 3.189 N/A LYS 46.A NZ ASP 41.A O no hydrogen 2.534 N/A PHE 47.A N LEU 43.A O no hydrogen 2.548 N/A GLN 49.A N LYS 46.A O no hydrogen 3.114 N/A VAL 50.A N LYS 46.A O no hydrogen 3.288 N/A ALA 51.A N PHE 47.A O no hydrogen 2.680 N/A THR 53.A N VAL 50.A O no hydrogen 3.264 N/A THR 53.A OG1 VAL 50.A O no hydrogen 3.320 N/A ASP 58.A N VAL 8.A O no hydrogen 2.726 N/A ILE 60.A N GLY 265.A O no hydrogen 2.661 N/A HIS 64.A N VAL 261.A O no hydrogen 2.771 N/A ARG 66.A N ALA 63.A O no hydrogen 3.421 N/A TYR 70.A N ARG 66.A O no hydrogen 3.200 N/A TYR 70.A OH GLU 44.A O no hydrogen 3.293 N/A ALA 71.A N PHE 67.A O no hydrogen 2.856 N/A GLN 72.A N GLY 68.A O no hydrogen 3.053 N/A SER 73.A N TYR 70.A O no hydrogen 3.058 N/A SER 73.A OG GLY 69.A O no hydrogen 3.448 N/A GLY 74.A N ALA 71.A O no hydrogen 2.927 N/A LEU 75.A N TYR 70.A O no hydrogen 3.286 N/A ALA 77.A N ILE 266.A O no hydrogen 3.004 N/A LYS 83.A NZ ASP 87.A OD1 no hydrogen 2.838 N/A PHE 85.A N ASP 82.A O no hydrogen 2.735 N/A GLN 86.A N ASP 82.A O no hydrogen 3.361 N/A LYS 88.A N PHE 85.A O no hydrogen 3.337 N/A LEU 89.A N GLN 86.A O no hydrogen 3.274 N/A TYR 90.A N ALA 303.A O no hydrogen 3.140 N/A THR 93.A N TYR 90.A O no hydrogen 3.019 N/A THR 93.A OG1 TYR 90.A O no hydrogen 2.377 N/A TRP 94.A NE1 GLN 86.A O no hydrogen 2.986 N/A ASP 95.A N PHE 92.A O no hydrogen 3.007 N/A ALA 96.A N THR 93.A O no hydrogen 3.416 N/A VAL 97.A N TRP 94.A O no hydrogen 2.865 N/A LYS 102.A N ASN 100.A O no hydrogen 2.764 N/A ILE 104.A N VAL 97.A O no hydrogen 3.246 N/A TYR 106.A N ALA 264.A O no hydrogen 2.966 N/A ILE 108.A N LEU 262.A O no hydrogen 2.753 N/A ALA 109.A N LEU 262.A O no hydrogen 3.061 N/A VAL 110.A N ALA 301.A O no hydrogen 2.788 N/A SER 114.A N ASN 227.A O no hydrogen 2.961 N/A SER 114.A OG ALA 112.A O no hydrogen 3.526 N/A LEU 115.A N THR 245.A O no hydrogen 3.076 N/A ILE 116.A N THR 225.A O no hydrogen 2.559 N/A TYR 117.A N GLY 243.A O no hydrogen 2.802 N/A LYS 119.A N ASN 241.A O no hydrogen 2.730 N/A LEU 121.A N ASN 118.A OD1 no hydrogen 3.023 N/A TRP 129.A N THR 249.A O no hydrogen 3.010 N/A TRP 129.A NE1 SER 255.A OG no hydrogen 3.137 N/A GLU 130.A N THR 128.A O no hydrogen 2.626 N/A GLU 131.A N THR 128.A O no hydrogen 3.244 N/A LEU 135.A N GLU 131.A O no hydrogen 2.452 N/A ASP 136.A N ILE 132.A O no hydrogen 2.651 N/A LYS 137.A N PRO 133.A O no hydrogen 3.404 N/A GLU 138.A N ALA 134.A O no hydrogen 3.186 N/A LEU 139.A N LEU 135.A O no hydrogen 3.383 N/A LEU 139.A N ASP 136.A O no hydrogen 3.193 N/A LYS 140.A N ASP 136.A O no hydrogen 2.609 N/A LYS 140.A NZ ASP 136.A OD2 no hydrogen 3.299 N/A LYS 140.A NZ LYS 202.A O no hydrogen 3.221 N/A ALA 141.A N LYS 137.A O no hydrogen 3.161 N/A LYS 142.A N LEU 139.A O no hydrogen 3.189 N/A GLY 143.A N LEU 139.A O no hydrogen 3.225 N/A GLY 143.A N LYS 140.A O no hydrogen 3.029 N/A LYS 144.A N LEU 139.A O no hydrogen 2.843 N/A LYS 144.A NZ GLY 220.A O no hydrogen 2.869 N/A SER 145.A N GLU 221.A O no hydrogen 3.178 N/A SER 145.A OG GLU 221.A O no hydrogen 3.115 N/A SER 145.A OG THR 222.A OG1 no hydrogen 3.183 N/A ALA 146.A N ASP 136.A OD1 no hydrogen 3.018 N/A MET 148.A N MET 224.A O no hydrogen 3.255 N/A LEU 151.A N THR 208.A O no hydrogen 3.121 N/A GLN 152.A NE2 ALA 206.A O no hydrogen 2.807 N/A GLN 152.A NE2 THR 208.A O no hydrogen 3.688 N/A GLU 153.A N ASN 150.A OD1 no hydrogen 3.169 N/A TYR 155.A OH PHE 258.A O no hydrogen 3.001 N/A THR 157.A N PRO 154.A O no hydrogen 3.141 N/A THR 157.A OG1 GLU 153.A O no hydrogen 3.281 N/A THR 157.A OG1 PRO 154.A O no hydrogen 3.147 N/A TRP 158.A N PRO 154.A O no hydrogen 3.076 N/A TRP 158.A NE1 GLU 328.A OE2 no hydrogen 3.365 N/A LEU 160.A N THR 157.A O no hydrogen 2.739 N/A ILE 161.A N THR 157.A O no hydrogen 3.219 N/A ALA 162.A N TRP 158.A O no hydrogen 2.906 N/A ALA 163.A N LEU 160.A O no hydrogen 2.729 N/A GLY 165.A N ALA 162.A O no hydrogen 3.131 N/A TYR 167.A N GLY 182.A O no hydrogen 2.685 N/A TYR 167.A OH ASP 180.A OD1 no hydrogen 2.938 N/A TYR 167.A OH ASP 180.A OD2 no hydrogen 2.803 N/A ALA 168.A N GLY 182.A O no hydrogen 2.890 N/A ASP 177.A N LYS 170.A O no hydrogen 3.203 N/A ASP 180.A N ASP 177.A OD2 no hydrogen 3.053 N/A GLY 182.A N ALA 168.A O no hydrogen 2.584 N/A ASN 185.A ND2 GLY 165.A O no hydrogen 3.471 N/A LYS 189.A N ASN 185.A O no hydrogen 3.172 N/A LYS 189.A NZ ASP 358.A OD2 no hydrogen 3.053 N/A ALA 190.A N ALA 186.A O no hydrogen 3.101 N/A GLY 191.A N GLY 187.A O no hydrogen 2.750 N/A LEU 192.A N ALA 188.A O no hydrogen 2.982 N/A THR 193.A N LYS 189.A O no hydrogen 2.846 N/A THR 193.A OG1 LYS 189.A O no hydrogen 2.698 N/A PHE 194.A N ALA 190.A O no hydrogen 3.075 N/A LEU 195.A N GLY 191.A O no hydrogen 3.272 N/A VAL 196.A N LEU 192.A O no hydrogen 2.477 N/A ASP 197.A N THR 193.A O no hydrogen 2.959 N/A LEU 198.A N LEU 195.A O no hydrogen 2.873 N/A ILE 199.A N LEU 195.A O no hydrogen 3.132 N/A LYS 200.A N VAL 196.A O no hydrogen 2.635 N/A LYS 200.A NZ ASP 197.A OD1 no hydrogen 3.231 N/A LYS 202.A N ILE 199.A O no hydrogen 2.988 N/A MET 204.A N LEU 198.A O no hydrogen 3.018 N/A ASP 207.A N ASN 205.A OD1 no hydrogen 2.853 N/A THR 208.A OG1 ASN 205.A O no hydrogen 3.278 N/A ALA 213.A N ASP 209.A O no hydrogen 2.929 N/A GLU 214.A N TYR 210.A O no hydrogen 2.849 N/A ALA 215.A N SER 211.A O no hydrogen 2.760 N/A ALA 216.A N ILE 212.A O no hydrogen 3.219 N/A PHE 217.A N ALA 213.A O no hydrogen 3.239 N/A ASN 218.A N GLU 214.A O no hydrogen 3.033 N/A ASN 218.A ND2 GLU 214.A O no hydrogen 3.019 N/A LYS 219.A N ALA 215.A O no hydrogen 3.166 N/A GLY 220.A N PHE 217.A O no hydrogen 2.877 N/A GLU 221.A N ALA 216.A O no hydrogen 2.504 N/A THR 222.A N ALA 216.A O no hydrogen 3.223 N/A THR 222.A OG1 SER 145.A OG no hydrogen 3.183 N/A THR 225.A N ILE 116.A O no hydrogen 2.626 N/A THR 225.A OG1 MET 148.A O no hydrogen 2.765 N/A THR 225.A OG1 ILE 226.A O no hydrogen 3.322 N/A ASN 227.A N SER 114.A O no hydrogen 2.740 N/A ASN 227.A ND2 TYR 210.A OH no hydrogen 3.359 N/A TRP 230.A NE1 TYR 210.A OH no hydrogen 2.889 N/A ALA 231.A N PRO 229.A O no hydrogen 2.143 N/A ASN 234.A ND2 ASN 218.A OD1 no hydrogen 3.615 N/A ASN 234.A ND2 ASN 234.A O no hydrogen 2.798 N/A ILE 235.A N TRP 232.A O no hydrogen 3.066 N/A ASP 236.A N SER 233.A O no hydrogen 3.134 N/A THR 237.A N ASN 234.A O no hydrogen 3.101 N/A THR 237.A OG1 SER 233.A O no hydrogen 3.172 N/A SER 238.A N ASN 234.A O no hydrogen 3.150 N/A SER 238.A OG ASN 218.A OD1 no hydrogen 2.904 N/A VAL 240.A N ILE 235.A O no hydrogen 3.155 N/A ASN 241.A ND2 ASP 120.A OD2 no hydrogen 3.521 N/A TYR 242.A OH ASP 236.A OD2 no hydrogen 3.407 N/A GLY 243.A N TYR 117.A O no hydrogen 2.828 N/A THR 245.A N LEU 115.A O no hydrogen 2.738 N/A LEU 247.A N ASN 323.A OD1 no hydrogen 3.242 N/A THR 249.A OG1 LYS 127.A O no hydrogen 2.990 N/A PHE 250.A N GLN 253.A O no hydrogen 2.991 N/A GLN 253.A N LYS 251.A O no hydrogen 3.120 N/A SER 255.A OG PRO 248.A O no hydrogen 2.686 N/A LYS 256.A N PRO 159.A O no hydrogen 2.642 N/A VAL 259.A N GLU 328.A O no hydrogen 3.020 N/A GLY 260.A N GLU 111.A O no hydrogen 3.386 N/A LEU 262.A N ALA 109.A O no hydrogen 2.875 N/A SER 263.A N TRP 62.A O no hydrogen 2.497 N/A SER 263.A OG TRP 62.A O no hydrogen 3.370 N/A SER 263.A OG VAL 261.A O no hydrogen 2.920 N/A ALA 264.A N TYR 106.A O no hydrogen 2.692 N/A GLY 265.A N ILE 60.A O no hydrogen 2.747 N/A ASN 267.A N ASP 58.A O no hydrogen 3.100 N/A ASN 267.A ND2 ASP 55.A O no hydrogen 3.236 N/A ALA 268.A N LEU 75.A O no hydrogen 2.867 N/A ALA 269.A N ASN 267.A OD1 no hydrogen 3.419 N/A SER 270.A N ASN 267.A O no hydrogen 3.043 N/A ASN 272.A ND2 ASP 58.A OD2 no hydrogen 2.808 N/A LYS 273.A NZ ALA 268.A O no hydrogen 2.640 N/A LYS 273.A NZ SER 270.A O no hydrogen 3.074 N/A LEU 275.A N ASN 272.A O no hydrogen 3.210 N/A ALA 276.A N ASN 272.A O no hydrogen 3.041 N/A LYS 277.A N LYS 273.A O no hydrogen 2.798 N/A LYS 277.A NZ THR 80.A O no hydrogen 2.690 N/A LYS 277.A NZ THR 80.A OG1 no hydrogen 2.806 N/A GLU 278.A N GLU 274.A O no hydrogen 3.433 N/A PHE 279.A N LEU 275.A O no hydrogen 3.131 N/A GLU 281.A N GLU 278.A O no hydrogen 3.110 N/A ASN 282.A N GLU 278.A O no hydrogen 2.776 N/A ASN 282.A N PHE 279.A O no hydrogen 3.197 N/A TYR 283.A N PHE 279.A O no hydrogen 3.175 N/A TYR 283.A OH ASP 30.A OD2 no hydrogen 3.155 N/A THR 286.A OG1 ASN 282.A O no hydrogen 3.434 N/A THR 286.A OG1 TYR 283.A O no hydrogen 2.735 N/A LEU 290.A N THR 286.A O no hydrogen 3.402 N/A GLU 291.A N ASP 287.A O no hydrogen 3.033 N/A ALA 292.A N GLU 288.A O no hydrogen 2.870 N/A VAL 293.A N GLY 289.A O no hydrogen 3.300 N/A ASN 294.A N LEU 290.A O no hydrogen 2.970 N/A ASN 294.A ND2 ASN 294.A O no hydrogen 2.803 N/A LYS 295.A N GLU 291.A O no hydrogen 3.011 N/A LYS 295.A N ALA 292.A O no hydrogen 3.111 N/A LYS 297.A N VAL 293.A O no hydrogen 3.260 N/A LYS 297.A NZ LYS 297.A O no hydrogen 2.677 N/A LEU 299.A N ASN 294.A OD1 no hydrogen 3.142 N/A VAL 302.A N GLU 308.A OE2 no hydrogen 3.141 N/A ALA 303.A N ILE 108.A O no hydrogen 2.813 N/A LYS 305.A N LYS 88.A O no hydrogen 2.982 N/A LYS 305.A NZ ASP 87.A O no hydrogen 2.681 N/A GLU 308.A N LEU 304.A O no hydrogen 3.210 N/A GLU 309.A N LYS 305.A O no hydrogen 3.183 N/A GLU 310.A N SER 306.A O no hydrogen 3.151 N/A LEU 311.A N TYR 307.A O no hydrogen 3.047 N/A ALA 312.A N GLU 308.A O no hydrogen 2.614 N/A ASP 314.A N LEU 311.A O no hydrogen 2.711 N/A ILE 317.A N ASP 314.A OD1 no hydrogen 3.126 N/A ALA 318.A N ASP 314.A O no hydrogen 3.291 N/A THR 320.A N ILE 317.A O no hydrogen 2.885 N/A THR 320.A OG1 ILE 317.A O no hydrogen 3.182 N/A MET 321.A N ALA 318.A O no hydrogen 3.029 N/A GLU 322.A N ALA 318.A O no hydrogen 3.201 N/A ASN 323.A N ALA 319.A O no hydrogen 2.837 N/A ASN 323.A ND2 THR 245.A O no hydrogen 3.547 N/A ALA 324.A N THR 320.A O no hydrogen 2.848 N/A GLN 325.A N MET 321.A O no hydrogen 2.700 N/A LYS 326.A N GLU 322.A O no hydrogen 3.309 N/A GLY 327.A N ALA 324.A O no hydrogen 2.918 N/A GLU 328.A N PRO 257.A O no hydrogen 2.790 N/A MET 330.A N VAL 259.A O no hydrogen 3.055 N/A GLN 335.A N GLN 335.A OE1 no hydrogen 2.975 N/A MET 336.A N ILE 333.A O no hydrogen 2.907 N/A SER 337.A OG PRO 334.A O no hydrogen 2.795 N/A ALA 338.A N GLN 335.A O no hydrogen 3.015 N/A PHE 339.A N GLN 335.A O no hydrogen 3.168 N/A TRP 340.A N MET 336.A O no hydrogen 2.840 N/A ALA 342.A N ALA 338.A O no hydrogen 2.919 N/A VAL 343.A N PHE 339.A O no hydrogen 2.880 N/A ARG 344.A N TRP 340.A O no hydrogen 3.010 N/A THR 345.A N TYR 341.A O no hydrogen 2.947 N/A THR 345.A OG1 TYR 341.A O no hydrogen 3.026 N/A ALA 346.A N ALA 342.A O no hydrogen 3.301 N/A VAL 347.A N VAL 343.A O no hydrogen 3.275 N/A ASN 349.A N THR 345.A O no hydrogen 3.154 N/A ASN 349.A ND2 GLN 355.A OE1 no hydrogen 3.288 N/A ALA 350.A N ALA 346.A O no hydrogen 2.667 N/A ALA 351.A N VAL 347.A O no hydrogen 2.763 N/A SER 352.A N ASN 349.A O no hydrogen 3.206 N/A SER 352.A OG ILE 348.A O no hydrogen 2.444 N/A GLY 353.A N ALA 350.A O no hydrogen 2.942 N/A ALA 360.A N THR 356.A O no hydrogen 2.983 N/A LEU 361.A N VAL 357.A O no hydrogen 2.812 N/A LEU 361.A N ASP 358.A O no hydrogen 3.287 N/A ALA 362.A N ASP 358.A O no hydrogen 2.961 N/A ALA 363.A N ALA 359.A O no hydrogen 3.137 N/A ALA 364.A N ALA 360.A O no hydrogen 3.112 N/A GLN 365.A N LEU 361.A O no hydrogen 3.128 N/A GLN 365.A NE2 VAL 181.A O no hydrogen 3.640 N/A THR 366.A OG1 ALA 363.A O no hydrogen 2.814 N/A ASN 367.A N ALA 363.A O no hydrogen 2.806 N/A ALA 369.A N GLN 365.A O no hydrogen 2.824 N/A ALA 370.A N THR 366.A O no hydrogen 3.030 N/A ALA 372.A N ALA 368.A O no hydrogen 2.774 N/A THR 373.A OG1 ALA 369.A O no hydrogen 3.192 N/A THR 373.A OG1 ALA 370.A O no hydrogen 2.692 N/A LEU 374.A N ALA 370.A O no hydrogen 2.880 N/A GLU 375.A N MET 371.A O no hydrogen 2.798 N/A LYS 376.A N ALA 372.A O no hydrogen 3.376 N/A LEU 377.A N THR 373.A O no hydrogen 2.849 N/A MET 378.A N LEU 374.A O no hydrogen 3.340 N/A MET 378.A N GLU 375.A O no hydrogen 2.884 N/A LYS 379.A N GLU 375.A O no hydrogen 3.146 N/A ALA 380.A N LYS 376.A O no hydrogen 3.142 N/A PHE 381.A N LEU 377.A O no hydrogen 2.959 N/A GLU 382.A N MET 378.A O no hydrogen 2.820 N/A SER 383.A N LYS 379.A O no hydrogen 2.885 N/A SER 383.A OG LYS 379.A O no hydrogen 2.629 N/A SER 383.A OG ALA 380.A O no hydrogen 2.872 N/A LEU 384.A N ALA 380.A O no hydrogen 3.157 N/A LYS 385.A N GLU 382.A O no hydrogen 3.106 N/A LYS 385.A NZ PHE 381.A O no hydrogen 3.167 N/A SER 386.A OG GLU 382.A O no hydrogen 3.510 N/A SER 386.A OG SER 383.A O no hydrogen 2.729 N/A GLN 388.A N LEU 384.A O no hydrogen 3.296 N/A GLN 388.A N LYS 385.A O no hydrogen 2.842 N/A GLN 389.A N LYS 385.A O no hydrogen 2.531 N/A GLN 393.A N GLN 389.A O no hydrogen 2.859 N/A GLN 396.A N GLN 392.A O no hydrogen 3.281 N/A