Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5o31_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 15.A O no hydrogen 2.923 N/A VAL 6.A N VAL 13.A O no hydrogen 3.122 N/A PHE 7.A N TRP 72.A O no hydrogen 3.027 N/A VAL 8.A N GLN 11.A O no hydrogen 3.049 N/A ASP 9.A N ILE 74.A O no hydrogen 2.865 N/A GLN 11.A N VAL 8.A O no hydrogen 3.142 N/A VAL 13.A N VAL 6.A O no hydrogen 3.043 N/A VAL 15.A N ILE 4.A O no hydrogen 3.063 N/A THR 19.A N GLU 16.A O no hydrogen 3.443 N/A THR 19.A OG1 GLU 16.A O no hydrogen 2.692 N/A ALA 24.A N THR 20.A O no hydrogen 3.202 N/A CYS 25.A N VAL 21.A O no hydrogen 3.148 N/A CYS 25.A SG VAL 21.A O no hydrogen 3.401 N/A GLU 26.A N LEU 22.A O no hydrogen 3.144 N/A LYS 27.A NZ MET 14.A O no hydrogen 2.978 N/A GLY 29.A N CYS 25.A O no hydrogen 3.377 N/A CYS 36.A SG CYS 151.A O no hydrogen 4.011 N/A SER 42.A OG GLU 160.A OE1 no hydrogen 2.698 N/A SER 42.A OG GLU 160.A OE2 no hydrogen 3.251 N/A VAL 52.A N VAL 61.A O no hydrogen 3.209 N/A GLU 53.A N THR 81.A OG1 no hydrogen 3.396 N/A ALA 63.A N CYS 50.A O no hydrogen 2.882 N/A CYS 64.A SG ALA 44.A O no hydrogen 3.762 N/A VAL 68.A N THR 19.A O no hydrogen 3.022 N/A ASN 73.A ND2 GLU 55.A OE1 no hydrogen 2.809 N/A ILE 74.A N PHE 7.A O no hydrogen 2.880 N/A LEU 75.A N GLU 53.A O no hydrogen 3.044 N/A THR 76.A N ASP 9.A OD1 no hydrogen 3.160 N/A THR 76.A OG1 ASP 9.A OD1 no hydrogen 3.131 N/A THR 76.A OG1 ASP 9.A OD2 no hydrogen 2.718 N/A SER 78.A OG GLU 53.A OE1 no hydrogen 3.008 N/A SER 78.A OG THR 81.A OG1 no hydrogen 2.660 N/A THR 81.A OG1 LEU 75.A O no hydrogen 3.196 N/A THR 81.A OG1 SER 78.A OG no hydrogen 2.660 N/A LYS 82.A N SER 78.A O no hydrogen 3.400 N/A ALA 84.A N LYS 80.A O no hydrogen 2.934 N/A ARG 85.A N THR 81.A O no hydrogen 3.170 N/A GLU 86.A N LYS 82.A O no hydrogen 3.105 N/A GLY 87.A N LYS 83.A O no hydrogen 3.085 N/A VAL 88.A N ALA 84.A O no hydrogen 3.293 N/A MET 89.A N ARG 85.A O no hydrogen 3.390 N/A GLU 90.A N GLY 87.A O no hydrogen 3.145 N/A PHE 91.A N GLY 87.A O no hydrogen 3.311 N/A LEU 92.A N VAL 88.A O no hydrogen 2.835 N/A LEU 93.A N MET 89.A O no hydrogen 3.276 N/A GLN 105.A NE2 CYS 198.A O no hydrogen 3.634 N/A CYS 109.A N GLY 106.A O no hydrogen 3.478 N/A ASP 110.A N PRO 199.A O no hydrogen 3.254 N/A ASP 113.A N CYS 109.A O no hydrogen 3.469 N/A GLN 114.A N ASP 110.A O no hydrogen 3.296 N/A GLN 114.A NE2 ARG 34.A O no hydrogen 3.042 N/A SER 115.A N LEU 111.A O no hydrogen 3.147 N/A MET 116.A N GLN 112.A O no hydrogen 3.387 N/A PHE 118.A N GLN 114.A O no hydrogen 2.774 N/A GLY 119.A N GLN 114.A O no hydrogen 3.377 N/A SER 120.A OG ARG 122.A O no hydrogen 3.130 N/A LYS 135.A NZ VAL 178.A O no hydrogen 3.169 N/A LYS 142.A N THR 204.A O no hydrogen 2.718 N/A THR 143.A OG1 VAL 141.A O no hydrogen 3.550 N/A ILE 144.A N ALA 202.A O no hydrogen 3.052 N/A THR 146.A OG1 VAL 132.A O no hydrogen 3.040 N/A ARG 147.A NE GLY 201.A O no hydrogen 2.780 N/A ARG 147.A NH1 ASP 99.A OD2 no hydrogen 3.152 N/A ARG 147.A NH2 GLY 201.A O no hydrogen 3.281 N/A CYS 151.A SG PHE 35.A O no hydrogen 3.989 N/A ARG 153.A NE PHE 35.A O no hydrogen 3.125 N/A ARG 153.A NE CYS 36.A O no hydrogen 3.334 N/A ARG 153.A NH1 ILE 197.A O no hydrogen 3.034 N/A ARG 156.A NE THR 152.A O no hydrogen 2.749 N/A ARG 156.A NH2 CYS 36.A O no hydrogen 2.780 N/A ARG 156.A NH2 THR 152.A O no hydrogen 2.823 N/A PHE 157.A N ARG 153.A O no hydrogen 3.027 N/A ALA 158.A N CYS 154.A O no hydrogen 2.969 N/A SER 159.A OG ASP 165.A OD1 no hydrogen 2.921 N/A GLU 160.A N ARG 156.A O no hydrogen 3.001 N/A ALA 162.A N PHE 157.A O no hydrogen 2.941 N/A VAL 164.A N ALA 158.A O no hydrogen 2.814 N/A ASP 165.A N ALA 158.A O no hydrogen 3.298 N/A THR 170.A N GLN 177.A O no hydrogen 3.373 N/A THR 170.A OG1 GLN 177.A O no hydrogen 3.026 N/A MET 176.A N ASN 174.A O no hydrogen 2.837 N/A GLN 177.A N THR 170.A O no hydrogen 3.131 N/A GLN 177.A NE2 ASP 175.A OD1 no hydrogen 3.531 N/A THR 180.A OG1 ASP 166.A O no hydrogen 3.445 N/A LYS 184.A NZ ASP 166.A OD1 no hydrogen 3.069 N/A LYS 184.A NZ ASP 166.A OD2 no hydrogen 3.508 N/A PHE 186.A N ILE 137.A O no hydrogen 3.030 N/A SER 188.A OG GLU 189.A OE1 no hydrogen 2.706 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.926 N/A SER 191.A OG SER 188.A O no hydrogen 2.876 N/A ASN 193.A N LEU 190.A O no hydrogen 3.285 N/A ASN 193.A ND2 LEU 190.A O no hydrogen 3.536 N/A ASN 193.A ND2 ILE 258.A O no hydrogen 2.759 N/A ASP 196.A N ASN 193.A O no hydrogen 3.014 N/A ILE 197.A N ASN 193.A O no hydrogen 2.944 N/A CYS 198.A N ILE 194.A O no hydrogen 3.356 N/A CYS 198.A SG VAL 200.A O no hydrogen 3.373 N/A THR 204.A N LYS 142.A O no hydrogen 3.069 N/A THR 204.A OG1 ASP 104.A OD2 no hydrogen 3.332 N/A LYS 206.A N LEU 140.A O no hydrogen 3.127 N/A TYR 208.A OH ALA 212.A O no hydrogen 2.627 N/A ALA 209.A N SER 205.A O no hydrogen 2.809 N/A ARG 213.A NH1 CYS 100.A O no hydrogen 3.381 N/A ARG 213.A NH2 CYS 100.A O no hydrogen 3.333 N/A GLU 216.A N ARG 213.A O no hydrogen 2.799 N/A THR 217.A N ARG 213.A O no hydrogen 3.428 N/A ARG 218.A N THR 237.A O no hydrogen 3.093 N/A THR 220.A N VAL 235.A O no hydrogen 3.052 N/A ASP 224.A N SER 231.A O no hydrogen 3.116 N/A ILE 233.A N SER 222.A O no hydrogen 3.213 N/A VAL 235.A N THR 220.A O no hydrogen 2.819 N/A SER 236.A N ARG 244.A O no hydrogen 2.909 N/A THR 237.A N ARG 218.A O no hydrogen 3.174 N/A ARG 238.A N GLU 241.A O no hydrogen 3.072 N/A MET 243.A N SER 236.A O no hydrogen 3.202 N/A LEU 246.A N VAL 234.A O no hydrogen 3.368 N/A ARG 248.A N ASN 232.A O no hydrogen 3.203 N/A ASN 254.A N ASP 252.A O no hydrogen 2.945 N/A ILE 258.A N ASN 193.A OD1 no hydrogen 3.098 N/A THR 262.A N SER 259.A O no hydrogen 3.234 N/A ARG 263.A N SER 259.A O no hydrogen 2.976 N/A LYS 270.A N ASP 267.A O no hydrogen 3.192 N/A ARG 271.A N ASP 267.A O no hydrogen 3.078 N/A MET 278.A N ILE 555.A O no hydrogen 2.992 N/A VAL 279.A N THR 287.A O no hydrogen 3.084 N/A ARG 280.A N ASP 553.A O no hydrogen 2.787 N/A ASN 281.A N LEU 285.A O no hydrogen 3.211 N/A THR 287.A N VAL 279.A O no hydrogen 3.017 N/A THR 289.A N PRO 277.A O no hydrogen 3.074 N/A ALA 294.A N THR 290.A O no hydrogen 2.943 N/A LEU 295.A N TRP 291.A O no hydrogen 3.343 N/A ARG 297.A N ASP 293.A O no hydrogen 3.297 N/A ALA 299.A N LEU 295.A O no hydrogen 2.878 N/A GLY 300.A N SER 296.A O no hydrogen 3.119 N/A LEU 302.A N VAL 298.A O no hydrogen 3.245 N/A GLN 303.A N ALA 299.A O no hydrogen 3.082 N/A PHE 305.A N MET 301.A O no hydrogen 3.184 N/A ALA 314.A N CYS 339.A O no hydrogen 3.123 N/A ALA 320.A N THR 567.A O no hydrogen 3.186 N/A LEU 323.A N ASP 319.A O no hydrogen 2.917 N/A ILE 324.A N ALA 320.A O no hydrogen 3.079 N/A LEU 326.A N ALA 322.A O no hydrogen 3.108 N/A LYS 327.A N LEU 323.A O no hydrogen 3.398 N/A ASN 331.A N LYS 327.A O no hydrogen 3.150 N/A ARG 332.A NE ASP 328.A O no hydrogen 3.481 N/A ASP 334.A N LEU 330.A O no hydrogen 3.199 N/A SER 335.A N GLY 307.A O no hydrogen 3.142 N/A CYS 339.A N ALA 312.A O no hydrogen 2.794 N/A THR 340.A N LYS 503.A O no hydrogen 2.917 N/A GLU 341.A N ALA 314.A O no hydrogen 3.361 N/A ASN 356.A N LEU 353.A O no hydrogen 3.446 N/A LEU 358.A N ARG 354.A O no hydrogen 3.368 N/A LEU 359.A N THR 571.A O no hydrogen 3.427 N/A GLY 365.A N THR 362.A O no hydrogen 3.019 N/A ASP 370.A N LYS 443.A O no hydrogen 3.056 N/A LEU 373.A N MET 445.A O no hydrogen 3.057 N/A LEU 374.A N ALA 402.A O no hydrogen 2.774 N/A VAL 375.A N ILE 447.A O no hydrogen 2.866 N/A ARG 380.A NE GLU 189.A OE1 no hydrogen 2.808 N/A ARG 380.A NH2 SER 188.A OG no hydrogen 3.069 N/A GLU 382.A N ASN 378.A O no hydrogen 3.229 N/A ASN 387.A N ALA 383.A O no hydrogen 3.407 N/A ALA 388.A N PRO 384.A O no hydrogen 3.170 N/A ARG 389.A N LEU 385.A O no hydrogen 3.167 N/A ARG 389.A NH2 ALA 364.A O no hydrogen 3.008 N/A ILE 390.A N PHE 386.A O no hydrogen 3.010 N/A ARG 391.A N ASN 387.A O no hydrogen 3.099 N/A LYS 392.A N ALA 388.A O no hydrogen 2.903 N/A SER 393.A N ARG 389.A O no hydrogen 2.992 N/A TRP 394.A N ARG 391.A O no hydrogen 3.201 N/A LEU 395.A N ARG 391.A O no hydrogen 2.840 N/A HIS 396.A N LYS 392.A O no hydrogen 3.165 N/A ALA 402.A N VAL 372.A O no hydrogen 2.794 N/A ILE 404.A N LEU 374.A O no hydrogen 3.209 N/A GLY 405.A N GLY 418.A O no hydrogen 3.343 N/A GLN 425.A N PRO 421.A O no hydrogen 3.280 N/A ASP 426.A N LYS 422.A O no hydrogen 2.988 N/A ILE 427.A N ILE 423.A O no hydrogen 3.001 N/A GLN 436.A N PHE 434.A O no hydrogen 2.727 N/A GLN 439.A N SER 435.A O no hydrogen 2.951 N/A GLU 440.A N GLN 436.A O no hydrogen 3.439 N/A MET 445.A N VAL 371.A O no hydrogen 3.182 N/A VAL 446.A N VAL 484.A O no hydrogen 2.912 N/A LEU 448.A N ASN 486.A O no hydrogen 2.749 N/A SER 450.A N LEU 488.A O no hydrogen 3.372 N/A GLN 454.A N SER 450.A O no hydrogen 3.107 N/A LEU 462.A N GLY 458.A O no hydrogen 3.320 N/A ALA 463.A N ALA 459.A O no hydrogen 2.960 N/A ALA 464.A N ALA 460.A O no hydrogen 3.401 N/A VAL 465.A N ILE 461.A O no hydrogen 3.287 N/A SER 466.A N LEU 462.A O no hydrogen 3.019 N/A ASN 467.A N ALA 463.A O no hydrogen 2.819 N/A ILE 468.A N ALA 464.A O no hydrogen 2.996 N/A ALA 469.A N VAL 465.A O no hydrogen 2.877 N/A GLN 470.A N SER 466.A O no hydrogen 2.952 N/A LYS 471.A N ASN 467.A O no hydrogen 3.326 N/A ARG 473.A N ALA 469.A O no hydrogen 3.136 N/A GLY 477.A N ILE 472.A O no hydrogen 2.993 N/A VAL 478.A N ARG 473.A O no hydrogen 3.147 N/A ASN 486.A N VAL 446.A O no hydrogen 2.822 N/A LEU 488.A N LEU 448.A O no hydrogen 3.322 N/A ALA 497.A N SER 493.A O no hydrogen 2.852 N/A LEU 500.A N ALA 496.A O no hydrogen 3.262 N/A GLY 501.A N ALA 497.A O no hydrogen 3.248 N/A TYR 502.A N ALA 497.A O no hydrogen 2.995 N/A TYR 502.A OH LEU 323.A O no hydrogen 2.709 N/A LYS 503.A N LEU 338.A O no hydrogen 3.324 N/A GLY 505.A N GLU 342.A O no hydrogen 3.274 N/A GLN 510.A N VAL 506.A O no hydrogen 3.054 N/A LYS 511.A N GLU 507.A O no hydrogen 3.074 N/A LYS 515.A N ASP 309.A O no hydrogen 2.806 N/A CYS 526.A N GLY 524.A O no hydrogen 2.891 N/A LEU 532.A N THR 528.A O no hydrogen 3.136 N/A VAL 539.A N LEU 517.A O no hydrogen 3.011 N/A GLN 541.A N LEU 519.A O no hydrogen 3.445 N/A ASP 553.A N ILE 538.A O no hydrogen 2.863 N/A VAL 554.A N ILE 538.A O no hydrogen 3.328 N/A ILE 555.A N MET 278.A O no hydrogen 2.808 N/A LEU 556.A N TYR 540.A O no hydrogen 2.961 N/A GLU 563.A N ALA 560.A O no hydrogen 3.112 N/A LYS 564.A N ALA 560.A O no hydrogen 3.032 N/A TYR 568.A N GLN 576.A O no hydrogen 3.008 N/A ASN 570.A N ARG 574.A O no hydrogen 2.815 N/A GLY 573.A N ASN 570.A O no hydrogen 3.266 N/A ARG 574.A NH1 ASP 629.A O no hydrogen 3.248 N/A GLN 576.A N TYR 568.A O no hydrogen 2.853 N/A THR 578.A N ALA 566.A O no hydrogen 3.385 N/A ALA 581.A N THR 562.A O no hydrogen 3.177 N/A LEU 587.A N THR 275.A O no hydrogen 2.812 N/A ILE 594.A N GLU 590.A O no hydrogen 3.027 N/A ALA 597.A N LYS 593.A O no hydrogen 3.154 N/A SER 599.A N ILE 595.A O no hydrogen 3.160 N/A GLU 600.A N ARG 596.A O no hydrogen 3.114 N/A ILE 601.A N ALA 597.A O no hydrogen 3.019 N/A ALA 602.A N LEU 598.A O no hydrogen 3.290 N/A VAL 614.A N THR 610.A O no hydrogen 3.210 N/A ARG 615.A N LEU 611.A O no hydrogen 3.127 N/A ASN 616.A N ASP 612.A O no hydrogen 3.109 N/A ARG 617.A N GLN 613.A O no hydrogen 3.292 N/A LEU 618.A N VAL 614.A O no hydrogen 3.166 N/A GLU 619.A N ARG 615.A O no hydrogen 3.112 N/A GLU 620.A N ASN 616.A O no hydrogen 3.361 N/A SER 622.A N LEU 618.A O no hydrogen 3.211 N/A VAL 626.A N PRO 623.A O no hydrogen 3.414 N/A ASP 629.A N ALA 575.A O no hydrogen 2.850 N/A SER 641.A N PHE 637.A O no hydrogen 3.155 N/A GLU 642.A N GLN 638.A O no hydrogen 3.325 N/A SER 644.A N ALA 640.A O no hydrogen 3.241 N/A LYS 645.A N SER 641.A O no hydrogen 3.283 N/A ILE 672.A N ASP 670.A O no hydrogen 2.728 N/A ALA 680.A N SER 676.A O no hydrogen 3.445 N/A CYS 682.A N THR 678.A O no hydrogen 3.239 N/A VAL 683.A N MET 679.A O no hydrogen 2.998 N/A LYS 684.A N ALA 680.A O no hydrogen 3.233 N/A