Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ibd_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 11.A N ASP 8.A OD1 no hydrogen 2.755 N/A ALA 12.A N ASP 8.A O no hydrogen 3.305 N/A GLU 13.A N ILE 9.A O no hydrogen 2.825 N/A PHE 15.A N ALA 12.A O no hydrogen 3.070 N/A SER 16.A N GLU 13.A O no hydrogen 2.842 N/A ALA 27.A N SER 23.A O no hydrogen 2.678 N/A HIS 28.A N GLU 25.A O no hydrogen 2.687 N/A TRP 29.A N THR 26.A O no hydrogen 3.021 N/A ASP 36.A N PRO 33.A O no hydrogen 3.028 N/A ASN 43.A N GLU 64.A OE1 no hydrogen 3.098 N/A THR 45.A OG1 GLU 64.A OE1 no hydrogen 3.374 N/A LEU 46.A N MET 44.A O no hydrogen 3.156 N/A LEU 46.A N LEU 63.A O no hydrogen 3.110 N/A ALA 55.A N ASP 157.A OD2 no hydrogen 3.187 N/A GLY 57.A N ALA 54.A O no hydrogen 3.397 N/A LEU 63.A N LEU 46.A O no hydrogen 3.212 N/A GLU 64.A N LYS 72.A O no hydrogen 3.100 N/A LEU 65.A N MET 44.A O no hydrogen 2.644 N/A VAL 70.A N HIS 406.A O no hydrogen 3.009 N/A ARG 71.A N GLU 64.A O no hydrogen 2.639 N/A CYS 73.A SG SER 403.A OG no hydrogen 3.381 N/A ASP 74.A N VAL 62.A O no hydrogen 3.009 N/A ARG 82.A NH1 ARG 102.A O no hydrogen 3.318 N/A LEU 87.A N GLY 83.A O no hydrogen 3.092 N/A ILE 88.A N THR 84.A O no hydrogen 3.234 N/A GLU 89.A N LYS 86.A O no hydrogen 3.256 N/A TYR 90.A N LEU 87.A O no hydrogen 3.062 N/A LYS 91.A N ILE 88.A O no hydrogen 2.909 N/A THR 92.A OG1 GLU 351.A O no hydrogen 3.346 N/A THR 92.A OG1 SER 381.A O no hydrogen 3.140 N/A TYR 93.A N SER 381.A O no hydrogen 3.348 N/A TYR 93.A OH SER 377.A OG no hydrogen 2.666 N/A ALA 96.A N TYR 93.A O no hydrogen 3.367 N/A LEU 97.A N LEU 94.A O no hydrogen 3.311 N/A TYR 99.A N ALA 96.A O no hydrogen 2.678 N/A PHE 100.A N LEU 97.A O no hydrogen 2.667 N/A ARG 102.A NH1 PRO 98.A O no hydrogen 3.319 N/A LEU 103.A N PHE 100.A O no hydrogen 3.190 N/A VAL 106.A N ASP 104.A OD1 no hydrogen 3.295 N/A SER 107.A OG ASP 104.A OD2 no hydrogen 2.499 N/A SER 107.A OG ASN 111.A OD1 no hydrogen 3.348 N/A CYS 110.A SG GLY 139.A O no hydrogen 3.463 N/A CYS 110.A SG THR 142.A OG1 no hydrogen 2.479 N/A ASN 111.A N MET 108.A O no hydrogen 3.169 N/A ASN 111.A ND2 PHE 100.A O no hydrogen 2.979 N/A ASN 111.A ND2 ASP 104.A O no hydrogen 3.341 N/A GLN 113.A N MET 109.A O no hydrogen 3.276 N/A ALA 114.A N CYS 110.A O no hydrogen 3.261 N/A ALA 114.A N ASN 111.A O no hydrogen 2.968 N/A TYR 115.A OH TYR 93.A O no hydrogen 2.812 N/A SER 116.A N GLU 112.A O no hydrogen 2.722 N/A SER 116.A OG GLU 112.A O no hydrogen 3.130 N/A SER 116.A OG ILE 191.A O no hydrogen 2.352 N/A ILE 117.A N GLN 113.A O no hydrogen 3.029 N/A ALA 118.A N ALA 114.A O no hydrogen 2.772 N/A VAL 119.A N TYR 115.A O no hydrogen 2.817 N/A GLU 120.A N SER 116.A O no hydrogen 3.064 N/A LYS 121.A N ILE 117.A O no hydrogen 3.054 N/A LEU 122.A N ALA 118.A O no hydrogen 3.208 N/A LEU 123.A N VAL 119.A O no hydrogen 3.121 N/A ASN 124.A N LYS 121.A O no hydrogen 3.175 N/A ILE 125.A N GLU 120.A O no hydrogen 3.165 N/A ARG 130.A NE ASP 199.A OD1 no hydrogen 3.208 N/A ARG 130.A NH1 ASP 199.A OD1 no hydrogen 3.241 N/A ARG 130.A NH2 PRO 316.A O no hydrogen 3.279 N/A GLN 132.A N PRO 128.A O no hydrogen 3.287 N/A TRP 133.A N PRO 129.A O no hydrogen 3.354 N/A ILE 134.A N ARG 130.A O no hydrogen 3.000 N/A ARG 135.A N ALA 131.A O no hydrogen 2.932 N/A ARG 135.A NH2 GLU 120.A OE2 no hydrogen 2.641 N/A ARG 135.A NH2 GLY 195.A O no hydrogen 3.528 N/A VAL 136.A N GLN 132.A O no hydrogen 3.071 N/A LEU 137.A N TRP 133.A O no hydrogen 2.670 N/A PHE 138.A N ILE 134.A O no hydrogen 2.767 N/A GLY 139.A N ARG 135.A O no hydrogen 2.724 N/A GLU 140.A N VAL 136.A O no hydrogen 3.070 N/A ILE 141.A N LEU 137.A O no hydrogen 3.214 N/A THR 142.A N PHE 138.A O no hydrogen 2.998 N/A THR 142.A OG1 PHE 138.A O no hydrogen 3.534 N/A THR 142.A OG1 GLY 139.A O no hydrogen 2.599 N/A ARG 143.A N GLY 139.A O no hydrogen 3.096 N/A ARG 143.A NH1 GLU 140.A OE1 no hydrogen 3.295 N/A ILE 144.A N GLU 140.A O no hydrogen 2.977 N/A LEU 145.A N ILE 141.A O no hydrogen 3.034 N/A ASN 146.A N THR 142.A O no hydrogen 2.788 N/A HIS 147.A N ARG 143.A O no hydrogen 2.988 N/A ILE 148.A N ILE 144.A O no hydrogen 2.819 N/A MET 149.A N LEU 145.A O no hydrogen 3.002 N/A ALA 150.A N ASN 146.A O no hydrogen 2.618 N/A VAL 151.A N HIS 147.A O no hydrogen 2.757 N/A THR 152.A N ILE 148.A O no hydrogen 3.164 N/A THR 152.A OG1 ILE 148.A O no hydrogen 2.623 N/A THR 153.A N MET 149.A O no hydrogen 3.054 N/A THR 153.A OG1 MET 149.A O no hydrogen 2.600 N/A HIS 154.A N ALA 150.A O no hydrogen 3.158 N/A ALA 155.A N VAL 151.A O no hydrogen 3.195 N/A LEU 156.A N THR 152.A O no hydrogen 3.136 N/A ASP 157.A N THR 153.A O no hydrogen 3.196 N/A ILE 158.A N HIS 154.A O no hydrogen 2.884 N/A GLY 159.A N ALA 155.A O no hydrogen 2.538 N/A ALA 160.A N ALA 155.A O no hydrogen 2.766 N/A TRP 166.A N THR 162.A O no hydrogen 3.168 N/A MET 167.A N PRO 163.A O no hydrogen 3.186 N/A PHE 168.A N PHE 164.A O no hydrogen 2.854 N/A GLU 169.A N PHE 165.A O no hydrogen 3.358 N/A ARG 171.A N MET 167.A O no hydrogen 2.854 N/A ARG 171.A N PHE 168.A O no hydrogen 3.032 N/A GLU 172.A N PHE 168.A O no hydrogen 2.938 N/A LYS 173.A N GLU 169.A O no hydrogen 3.219 N/A MET 174.A N GLU 170.A O no hydrogen 3.439 N/A PHE 175.A N ARG 171.A O no hydrogen 2.770 N/A GLU 176.A N GLU 172.A O no hydrogen 3.085 N/A TYR 178.A N MET 174.A O no hydrogen 3.322 N/A GLU 179.A N PHE 175.A O no hydrogen 2.910 N/A ARG 180.A N GLU 176.A O no hydrogen 2.842 N/A VAL 181.A N TYR 178.A O no hydrogen 3.106 N/A SER 182.A N TYR 178.A O no hydrogen 2.833 N/A SER 182.A OG TYR 178.A O no hydrogen 2.669 N/A ALA 184.A N SER 182.A OG no hydrogen 2.967 N/A ARG 185.A NH2 GLU 172.A OE2 no hydrogen 3.202 N/A HIS 187.A ND1 ASP 101.A O no hydrogen 2.825 N/A ALA 189.A N GLU 112.A OE2 no hydrogen 3.030 N/A TYR 190.A N GLU 112.A OE1 no hydrogen 3.132 N/A TYR 190.A OH GLN 198.A O no hydrogen 2.471 N/A ILE 191.A N GLU 112.A OE1 no hydrogen 2.878 N/A ARG 192.A N TYR 190.A O no hydrogen 3.074 N/A ARG 192.A NE ALA 189.A O no hydrogen 3.354 N/A GLY 194.A N GLU 120.A OE2 no hydrogen 3.089 N/A GLY 195.A N ARG 192.A O no hydrogen 2.998 N/A VAL 196.A N ILE 320.A O no hydrogen 3.029 N/A HIS 197.A N TYR 190.A O no hydrogen 3.113 N/A LEU 204.A N PRO 201.A O no hydrogen 3.399 N/A ASP 207.A N GLY 203.A O no hydrogen 3.339 N/A ILE 208.A N LEU 204.A O no hydrogen 2.843 N/A TYR 209.A N LEU 205.A O no hydrogen 3.000 N/A GLU 210.A N ASP 206.A O no hydrogen 3.076 N/A PHE 211.A N ASP 207.A O no hydrogen 3.049 N/A SER 212.A N ILE 208.A O no hydrogen 2.883 N/A SER 212.A OG ILE 208.A O no hydrogen 2.794 N/A SER 212.A OG TYR 209.A O no hydrogen 2.956 N/A LYS 213.A N TYR 209.A O no hydrogen 2.572 N/A LYS 213.A NZ ASN 214.A OD1 no hydrogen 3.031 N/A ASN 214.A N GLU 210.A O no hydrogen 3.403 N/A PHE 215.A N SER 212.A O no hydrogen 3.354 N/A ILE 219.A N PHE 215.A O no hydrogen 3.118 N/A ASP 220.A N SER 216.A O no hydrogen 3.451 N/A GLU 221.A N LEU 217.A O no hydrogen 3.117 N/A VAL 222.A N ARG 218.A O no hydrogen 3.199 N/A GLU 223.A N ILE 219.A O no hydrogen 2.621 N/A GLU 224.A N ASP 220.A O no hydrogen 2.331 N/A MET 225.A N GLU 221.A O no hydrogen 3.192 N/A LEU 226.A N VAL 222.A O no hydrogen 2.894 N/A THR 227.A N GLU 223.A O no hydrogen 2.824 N/A THR 227.A OG1 GLU 223.A O no hydrogen 3.304 N/A THR 227.A OG1 GLU 223.A OE2 no hydrogen 2.426 N/A ARG 233.A N ASN 229.A O no hydrogen 3.164 N/A ASN 234.A N ARG 230.A O no hydrogen 3.049 N/A ARG 235.A N ILE 231.A O no hydrogen 3.192 N/A ARG 235.A NH1 ILE 158.A O no hydrogen 3.089 N/A THR 236.A N TRP 232.A O no hydrogen 2.763 N/A THR 236.A OG1 TRP 232.A O no hydrogen 2.805 N/A VAL 237.A N ARG 233.A O no hydrogen 2.538 N/A ASP 238.A N ASP 289.A OD2 no hydrogen 3.007 N/A GLY 240.A N HIS 406.A NE2 no hydrogen 3.323 N/A VAL 242.A N GLY 288.A O no hydrogen 3.276 N/A THR 243.A OG1 ASP 246.A OD2 no hydrogen 2.587 N/A ALA 247.A N THR 243.A O no hydrogen 3.037 N/A LEU 248.A N ALA 244.A O no hydrogen 3.242 N/A ASN 249.A N GLU 245.A O no hydrogen 2.931 N/A TYR 250.A N ASP 246.A O no hydrogen 2.864 N/A GLY 251.A N LEU 248.A O no hydrogen 3.008 N/A PHE 252.A N ALA 247.A O no hydrogen 3.000 N/A SER 253.A OG GLY 251.A O no hydrogen 3.354 N/A SER 253.A OG PHE 252.A O no hydrogen 2.743 N/A SER 253.A OG SER 253.A O no hydrogen 2.659 N/A ARG 258.A N GLY 254.A O no hydrogen 3.076 N/A ARG 258.A NE GLY 254.A O no hydrogen 3.399 N/A GLY 259.A N VAL 255.A O no hydrogen 2.628 N/A SER 260.A OG VAL 242.A O no hydrogen 3.080 N/A SER 260.A OG MET 256.A O no hydrogen 3.142 N/A GLY 261.A N ARG 258.A O no hydrogen 2.947 N/A ARG 267.A NE ASP 265.A OD1 no hydrogen 3.536 N/A ARG 267.A NE ASP 265.A OD2 no hydrogen 2.789 N/A ARG 267.A NH1 GLU 140.A OE2 no hydrogen 3.305 N/A ARG 267.A NH2 ASP 265.A OD2 no hydrogen 2.917 N/A TYR 275.A N TYR 272.A O no hydrogen 3.190 N/A TYR 275.A OH GLU 140.A OE2 no hydrogen 2.715 N/A GLN 277.A N VAL 274.A O no hydrogen 2.736 N/A VAL 278.A N TYR 275.A O no hydrogen 3.212 N/A GLU 279.A N GLN 310.A OE1 no hydrogen 2.662 N/A ASP 281.A N GLN 303.A OE1 no hydrogen 3.101 N/A GLY 285.A N ARG 258.A O no hydrogen 3.032 N/A ARG 287.A NH1 ASP 238.A OD2 no hydrogen 2.533 N/A CYS 290.A N ILE 239.A O no hydrogen 3.221 N/A CYS 290.A SG ILE 239.A O no hydrogen 3.126 N/A CYS 290.A SG THR 417.A OG1 no hydrogen 3.502 N/A TYR 291.A OH THR 227.A O no hydrogen 2.508 N/A ASP 292.A N ASP 289.A OD1 no hydrogen 2.927 N/A ARG 293.A N ASP 289.A O no hydrogen 2.930 N/A ARG 293.A NH2 GLY 240.A O no hydrogen 3.085 N/A TYR 294.A N CYS 290.A O no hydrogen 2.658 N/A TYR 294.A OH GLU 223.A OE1 no hydrogen 3.302 N/A LEU 295.A N TYR 291.A O no hydrogen 2.690 N/A CYS 296.A N ASP 292.A O no hydrogen 2.925 N/A CYS 296.A SG PRO 283.A O no hydrogen 3.133 N/A CYS 296.A SG ASP 292.A O no hydrogen 3.076 N/A CYS 296.A SG ASP 292.A OD1 no hydrogen 3.638 N/A ARG 297.A N ARG 293.A O no hydrogen 3.051 N/A ARG 297.A NH1 THR 417.A O no hydrogen 3.118 N/A ARG 297.A NH2 THR 417.A O no hydrogen 2.505 N/A VAL 298.A N TYR 294.A O no hydrogen 2.972 N/A GLU 299.A N LEU 295.A O no hydrogen 2.945 N/A GLU 300.A N CYS 296.A O no hydrogen 2.899 N/A MET 301.A N ARG 297.A O no hydrogen 3.219 N/A ARG 302.A N VAL 298.A O no hydrogen 3.212 N/A GLN 303.A N GLU 299.A O no hydrogen 2.687 N/A SER 304.A N GLU 300.A O no hydrogen 2.709 N/A SER 304.A OG GLU 300.A O no hydrogen 2.983 N/A SER 304.A OG MET 301.A O no hydrogen 2.556 N/A LEU 305.A N MET 301.A O no hydrogen 3.152 N/A ARG 306.A N ARG 302.A O no hydrogen 3.242 N/A ARG 306.A NH1 ASP 281.A OD2 no hydrogen 2.978 N/A ARG 306.A NH1 GLN 303.A OE1 no hydrogen 3.056 N/A ILE 307.A N GLN 303.A O no hydrogen 3.033 N/A ILE 308.A N SER 304.A O no hydrogen 2.745 N/A GLU 309.A N LEU 305.A O no hydrogen 2.906 N/A GLN 310.A N ARG 306.A O no hydrogen 3.214 N/A CYS 311.A N ILE 307.A O no hydrogen 3.000 N/A CYS 311.A SG ILE 307.A O no hydrogen 3.175 N/A LEU 312.A N ILE 308.A O no hydrogen 3.093 N/A ASN 313.A N GLU 309.A O no hydrogen 3.131 N/A LYS 314.A N GLN 310.A O no hydrogen 2.755 N/A LYS 314.A NZ GLN 277.A O no hydrogen 2.878 N/A LYS 321.A NZ HIS 197.A O no hydrogen 2.731 N/A VAL 322.A N GLY 194.A O no hydrogen 2.886 N/A LYS 326.A NZ HIS 344.A NE2 no hydrogen 3.032 N/A VAL 327.A N ASP 324.A O no hydrogen 3.389 N/A VAL 327.A N ASP 324.A OD1 no hydrogen 3.149 N/A SER 328.A OG VAL 322.A O no hydrogen 2.246 N/A MET 335.A N LYS 331.A O no hydrogen 3.079 N/A LYS 336.A N ALA 333.A O no hydrogen 3.290 N/A THR 337.A N GLU 334.A O no hydrogen 3.055 N/A THR 337.A OG1 ALA 333.A O no hydrogen 2.821 N/A THR 337.A OG1 GLU 334.A O no hydrogen 3.548 N/A SER 338.A N GLU 334.A O no hydrogen 2.897 N/A SER 338.A OG GLU 334.A O no hydrogen 2.931 N/A SER 338.A OG SER 341.A OG no hydrogen 2.699 N/A GLU 340.A N GLU 340.A OE1 no hydrogen 2.690 N/A SER 341.A OG SER 338.A OG no hydrogen 2.699 N/A LEU 342.A N SER 338.A O no hydrogen 3.207 N/A ILE 343.A N MET 339.A O no hydrogen 2.980 N/A HIS 344.A N GLU 340.A O no hydrogen 3.027 N/A HIS 345.A N SER 341.A O no hydrogen 2.843 N/A PHE 346.A N LEU 342.A O no hydrogen 2.827 N/A LYS 347.A N ILE 343.A O no hydrogen 2.889 N/A LEU 348.A N HIS 344.A O no hydrogen 3.023 N/A TYR 349.A N HIS 345.A O no hydrogen 3.084 N/A THR 350.A N PHE 346.A O no hydrogen 3.012 N/A THR 350.A OG1 PHE 346.A O no hydrogen 2.926 N/A THR 350.A OG1 LYS 347.A O no hydrogen 3.433 N/A GLU 351.A N LYS 347.A O no hydrogen 2.757 N/A GLY 352.A N LYS 347.A O no hydrogen 3.198 N/A GLY 358.A N SER 377.A O no hydrogen 2.891 N/A THR 360.A N LEU 375.A O no hydrogen 3.146 N/A TYR 361.A OH GLU 370.A OE2 no hydrogen 3.083 N/A THR 362.A N VAL 373.A O no hydrogen 3.344 N/A ILE 364.A N PHE 371.A O no hydrogen 3.112 N/A ALA 366.A N ILE 364.A O no hydrogen 3.070 N/A LYS 368.A NZ ASP 419.A O no hydrogen 2.707 N/A GLU 370.A N SER 253.A O no hydrogen 3.134 N/A PHE 371.A N ILE 364.A O no hydrogen 3.167 N/A GLY 372.A N LYS 389.A O no hydrogen 3.314 N/A VAL 373.A N THR 362.A O no hydrogen 3.215 N/A TYR 374.A N LYS 387.A O no hydrogen 2.868 N/A LEU 375.A N THR 360.A O no hydrogen 3.005 N/A VAL 376.A N ARG 385.A O no hydrogen 2.969 N/A SER 377.A N GLY 358.A O no hydrogen 2.677 N/A SER 377.A OG TYR 93.A OH no hydrogen 2.666 N/A SER 377.A OG ASP 378.A O no hydrogen 2.748 N/A SER 380.A OG ARG 382.A O no hydrogen 3.084 N/A SER 381.A OG GLU 351.A O no hydrogen 3.438 N/A TYR 384.A N VAL 376.A O no hydrogen 3.163 N/A ARG 385.A N VAL 376.A O no hydrogen 3.421 N/A ARG 385.A NH2 GLU 85.A OE1 no hydrogen 3.513 N/A LYS 387.A N TYR 374.A O no hydrogen 2.929 N/A ILE 388.A N GLU 85.A OE2 no hydrogen 3.301 N/A LYS 389.A N GLY 372.A O no hydrogen 2.611 N/A PHE 393.A N ALA 390.A O no hydrogen 3.122 N/A LEU 396.A N GLY 392.A O no hydrogen 2.969 N/A GLY 398.A N ALA 394.A O no hydrogen 3.303 N/A LEU 399.A N LEU 396.A O no hydrogen 3.067 N/A MET 402.A N GLY 398.A O no hydrogen 2.711 N/A SER 403.A N LEU 399.A O no hydrogen 2.722 N/A SER 403.A OG LEU 399.A O no hydrogen 2.688 N/A SER 403.A OG SER 403.A O no hydrogen 2.324 N/A ASP 410.A N MET 407.A O no hydrogen 3.176 N/A VAL 411.A N LEU 408.A O no hydrogen 3.175 N/A ILE 414.A N ASP 410.A O no hydrogen 2.775 N/A ILE 415.A N VAL 411.A O no hydrogen 2.993 N/A GLY 416.A N VAL 412.A O no hydrogen 3.278 N/A THR 417.A N ALA 413.A O no hydrogen 2.956 N/A THR 417.A N ILE 414.A O no hydrogen 3.296 N/A THR 417.A OG1 ALA 413.A O no hydrogen 3.040 N/A THR 417.A OG1 ILE 414.A O no hydrogen 2.994 N/A GLN 418.A N ILE 415.A O no hydrogen 3.137 N/A ASP 419.A N GLY 416.A O no hydrogen 3.367 N/A VAL 421.A N GLU 424.A OE2 no hydrogen 3.386 N/A ASP 426.A N PHE 422.A O no hydrogen 2.792 N/A ARG 427.A N GLY 423.A O no hydrogen 2.839 N/A