Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9gs9_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NH1 PRO 3.A O no hydrogen 2.896 N/A ARG 6.A NH1 ALA 5.A O no hydrogen 2.770 N/A ARG 6.A NH2 PRO 3.A O no hydrogen 3.495 N/A ALA 7.A N GLU 87.A OE2 no hydrogen 3.365 N/A PHE 8.A N GLU 11.A OE1 no hydrogen 3.385 N/A SER 12.A N ILE 142.A O no hydrogen 3.207 N/A SER 12.A OG GLU 14.A OE1 no hydrogen 3.126 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.698 N/A SER 15.A OG GLU 11.A OE2 no hydrogen 3.227 N/A TYR 16.A N SER 12.A O no hydrogen 3.214 N/A TYR 16.A OH ALA 5.A O no hydrogen 2.917 N/A LEU 17.A N LEU 13.A O no hydrogen 3.049 N/A LEU 18.A N GLU 14.A O no hydrogen 2.803 N/A ARG 19.A N SER 15.A O no hydrogen 2.969 N/A ARG 19.A NH2 ARG 6.A O no hydrogen 2.608 N/A VAL 20.A N TYR 16.A O no hydrogen 2.801 N/A VAL 21.A N LEU 17.A O no hydrogen 3.107 N/A SER 22.A N LEU 18.A O no hydrogen 2.802 N/A SER 28.A OG ASP 27.A OD1 no hydrogen 3.466 N/A SER 33.A N TYR 29.A O no hydrogen 2.803 N/A SER 33.A OG VAL 53.A O no hydrogen 2.646 N/A LEU 34.A N GLU 30.A O no hydrogen 2.808 N/A ALA 35.A N GLY 31.A O no hydrogen 3.186 N/A ILE 36.A N LEU 32.A O no hydrogen 2.930 N/A ARG 37.A N SER 33.A O no hydrogen 2.809 N/A GLU 38.A N LEU 34.A O no hydrogen 3.012 N/A GLU 39.A N ALA 35.A O no hydrogen 3.192 N/A LEU 40.A N ILE 36.A O no hydrogen 2.798 N/A HIS 41.A N ARG 37.A O no hydrogen 2.812 N/A GLU 42.A N GLU 38.A O no hydrogen 2.909 N/A LEU 43.A N GLU 39.A O no hydrogen 3.121 N/A ASP 44.A N LEU 40.A O no hydrogen 2.555 N/A HIS 48.A N ASP 44.A O no hydrogen 3.086 N/A GLY 49.A N PHE 45.A O no hydrogen 2.803 N/A ALA 50.A N GLU 46.A O no hydrogen 2.910 N/A PHE 51.A N ALA 47.A O no hydrogen 3.010 N/A LYS 56.A N ASP 54.A OD1 no hydrogen 3.167 N/A ARG 57.A N ASP 54.A OD1 no hydrogen 3.192 N/A ARG 57.A NH2 ASP 54.A OD2 no hydrogen 2.729 N/A HIS 62.A N ASN 59.A O no hydrogen 3.345 N/A ALA 63.A N VAL 60.A O no hydrogen 3.282 N/A SER 67.A OG ALA 63.A O no hydrogen 2.657 N/A ARG 70.A N ASN 66.A O no hydrogen 2.818 N/A ARG 70.A NH1 ARG 57.A O no hydrogen 2.760 N/A MET 71.A N SER 67.A O no hydrogen 2.983 N/A ARG 72.A N HIS 68.A O no hydrogen 3.232 N/A ARG 72.A NH1 ASP 44.A OD2 no hydrogen 2.801 N/A ALA 73.A N PHE 69.A O no hydrogen 2.810 N/A LEU 74.A N ARG 70.A O no hydrogen 2.811 N/A GLY 75.A N MET 71.A O no hydrogen 2.801 N/A LEU 76.A N ARG 72.A O no hydrogen 3.007 N/A LEU 77.A N ALA 73.A O no hydrogen 2.812 N/A GLU 78.A N LEU 74.A O no hydrogen 2.983 N/A THR 79.A N GLY 75.A O no hydrogen 3.054 N/A THR 79.A OG1 GLY 75.A O no hydrogen 2.795 N/A LEU 80.A N LEU 76.A O no hydrogen 2.802 N/A LEU 80.A N LEU 77.A O no hydrogen 3.296 N/A LEU 81.A N LEU 77.A O no hydrogen 3.006 N/A LEU 83.A N GLU 78.A O no hydrogen 3.301 N/A ARG 85.A NH2 TYR 86.A OH no hydrogen 3.362 N/A TYR 86.A N GLU 78.A OE1 no hydrogen 2.759 N/A LEU 88.A N GLU 78.A OE2 no hydrogen 2.935 N/A GLN 89.A N GLU 78.A OE2 no hydrogen 3.034 N/A LYS 90.A N TYR 86.A O no hydrogen 3.005 N/A LYS 90.A NZ GLU 87.A OE1 no hydrogen 2.965 N/A LYS 95.A NZ VAL 60.A O no hydrogen 3.500 N/A LYS 95.A NZ TYR 61.A O no hydrogen 3.346 N/A LYS 95.A NZ ALA 63.A O no hydrogen 2.667 N/A SER 96.A OG ASP 112.A OD2 no hydrogen 3.437 N/A LYS 99.A NZ ASP 97.A O no hydrogen 2.715 N/A PHE 100.A N SER 103.A O no hydrogen 2.806 N/A ASN 101.A ND2 LEU 295.A O no hydrogen 3.154 N/A ASN 101.A ND2 CYS 297.A O no hydrogen 3.325 N/A SER 102.A OG ASN 101.A O no hydrogen 2.664 N/A SER 103.A OG PHE 100.A O no hydrogen 3.246 N/A LEU 106.A N ILE 113.A O no hydrogen 2.803 N/A TYR 107.A N LEU 94.A O no hydrogen 2.802 N/A ASN 108.A N VAL 111.A O no hydrogen 2.797 N/A ASN 109.A N ASN 108.A OD1 no hydrogen 2.791 N/A GLY 110.A N TYR 107.A OH no hydrogen 3.349 N/A VAL 111.A N ASN 108.A O no hydrogen 2.804 N/A ILE 113.A N LEU 106.A O no hydrogen 2.796 N/A LEU 115.A N VAL 104.A O no hydrogen 3.239 N/A PHE 117.A N PRO 114.A O no hydrogen 3.028 N/A ARG 119.A N HIS 147.A O no hydrogen 2.800 N/A ARG 119.A NH1 TRP 146.A O no hydrogen 2.710 N/A ARG 119.A NH1 VAL 151.A O no hydrogen 2.921 N/A ARG 119.A NH2 VAL 151.A O no hydrogen 3.172 N/A HIS 121.A ND1 ILE 118.A O no hydrogen 2.832 N/A SER 128.A OG HIS 163.A ND1 no hydrogen 3.070 N/A VAL 131.A N LEU 162.A O no hydrogen 2.885 N/A CYS 135.A SG HIS 157.A ND1 no hydrogen 3.313 N/A LEU 136.A N CYS 132.A O no hydrogen 3.179 N/A ALA 137.A N SER 133.A O no hydrogen 3.120 N/A TYR 141.A N GLU 139.A O no hydrogen 3.236 N/A TYR 141.A OH ASP 10.A OD1 no hydrogen 3.354 N/A ILE 142.A N SER 15.A OG no hydrogen 2.745 N/A LYS 143.A NZ TYR 141.A OH no hydrogen 3.150 N/A GLN 144.A N ASP 10.A O no hydrogen 2.802 N/A GLN 144.A NE2 LEU 91.A O no hydrogen 3.520 N/A HIS 147.A ND1 HIS 120.A ND1 no hydrogen 2.977 N/A ILE 148.A N SER 145.A O no hydrogen 3.359 N/A LYS 149.A N PHE 117.A O no hydrogen 2.795 N/A LYS 149.A NZ ARG 116.A O no hydrogen 3.334 N/A ALA 160.A N SER 195.A O no hydrogen 3.297 N/A LEU 161.A N ASN 152.A O no hydrogen 3.087 N/A LEU 162.A N VAL 131.A O no hydrogen 2.753 N/A HIS 163.A ND1 SER 128.A OG no hydrogen 3.070 N/A CYS 165.A N ALA 170.A O no hydrogen 2.801 N/A CYS 165.A SG GLU 167.A OE2 no hydrogen 3.123 N/A TYR 169.A N CYS 165.A O no hydrogen 3.205 N/A ILE 172.A N HIS 163.A O no hydrogen 2.685 N/A ASN 173.A ND2 ASP 127.A O no hydrogen 3.061 N/A TYR 174.A OH HIS 147.A NE2 no hydrogen 3.141 N/A ILE 175.A N ASN 173.A OD1 no hydrogen 3.369 N/A ASN 177.A N ASN 173.A O no hydrogen 3.197 N/A SER 179.A OG HIS 182.A O no hydrogen 2.746 N/A HIS 182.A ND1 PHE 187.A O no hydrogen 2.941 N/A CYS 185.A SG GLU 167.A OE2 no hydrogen 3.601 N/A PHE 187.A N GLU 167.A OE2 no hydrogen 2.711 N/A CYS 191.A SG SER 133.A O no hydrogen 3.018 N/A THR 194.A OG1 ALA 160.A O no hydrogen 3.219 N/A THR 194.A OG1 SER 195.A O no hydrogen 2.898 N/A THR 199.A OG1 VAL 197.A O no hydrogen 3.446 N/A HIS 204.A ND1 ASN 249.A OD1 no hydrogen 3.172 N/A LEU 205.A N SER 201.A O no hydrogen 3.372 N/A ASN 206.A N ILE 202.A O no hydrogen 2.802 N/A LEU 208.A N HIS 204.A O no hydrogen 3.178 N/A LEU 209.A N LEU 205.A O no hydrogen 3.225 N/A ASN 218.A ND2 VAL 252.A O no hydrogen 2.781 N/A LEU 220.A N ASN 218.A OD1 no hydrogen 3.049 N/A ASN 222.A N PRO 219.A O no hydrogen 3.465 N/A ASN 223.A N ASN 222.A OD1 no hydrogen 2.743 N/A THR 225.A N GLU 228.A OE1 no hydrogen 2.940 N/A THR 227.A OG1 ASP 112.A O no hydrogen 2.793 N/A THR 227.A OG1 ASP 112.A OD1 no hydrogen 2.398 N/A GLU 228.A N THR 225.A O no hydrogen 3.192 N/A ARG 229.A N THR 225.A O no hydrogen 3.361 N/A ARG 229.A NE LEU 220.A O no hydrogen 3.509 N/A ARG 229.A NH1 ASP 210.A O no hydrogen 3.117 N/A PHE 230.A N LEU 226.A O no hydrogen 3.217 N/A ALA 232.A N GLU 228.A O no hydrogen 3.147 N/A LEU 234.A N PHE 230.A O no hydrogen 2.980 N/A TRP 235.A N ALA 231.A O no hydrogen 3.096 N/A TYR 236.A N ALA 232.A O no hydrogen 3.102 N/A GLN 237.A N LEU 233.A O no hydrogen 3.118 N/A GLU 238.A N LEU 234.A O no hydrogen 3.426 N/A TYR 240.A N GLN 237.A O no hydrogen 3.255 N/A TYR 240.A OH TYR 254.A OH no hydrogen 2.630 N/A TYR 240.A OH GLU 265.A OE1 no hydrogen 2.986 N/A GLN 242.A N GLN 237.A O no hydrogen 2.802 N/A CYS 247.A N ASN 245.A OD1 no hydrogen 3.199 N/A ASN 249.A ND2 SER 201.A OG no hydrogen 3.002 N/A ASP 250.A N CYS 247.A O no hydrogen 3.418 N/A ALA 251.A N LEU 248.A O no hydrogen 3.224 N/A VAL 252.A N LEU 248.A O no hydrogen 3.326 N/A TYR 254.A OH TYR 240.A OH no hydrogen 2.630 N/A PHE 255.A N ALA 251.A O no hydrogen 2.817 N/A SER 256.A OG ASN 253.A O no hydrogen 2.601 N/A LYS 257.A N TYR 254.A O no hydrogen 3.493 N/A LYS 257.A NZ ASN 253.A O no hydrogen 2.663 N/A ALA 260.A N LYS 257.A O no hydrogen 3.174 N/A ASN 263.A N PRO 259.A O no hydrogen 3.382 N/A THR 264.A N ALA 260.A O no hydrogen 3.470 N/A THR 264.A OG1 ALA 260.A O no hydrogen 2.993 N/A THR 264.A OG1 VAL 261.A O no hydrogen 3.202 N/A LEU 266.A N PHE 262.A O no hydrogen 3.104 N/A SER 270.A N ASP 267.A O no hydrogen 3.279 N/A SER 270.A OG LEU 266.A O no hydrogen 3.351 N/A SER 270.A OG TYR 316.A OH no hydrogen 2.644 N/A LYS 271.A N ASP 267.A O no hydrogen 3.087 N/A ASN 272.A N GLU 268.A O no hydrogen 2.999 N/A LYS 276.A NZ ILE 289.A O no hydrogen 3.224 N/A LEU 280.A N ASP 279.A OD1 no hydrogen 2.833 N/A ASN 282.A N ASN 282.A OD1 no hydrogen 2.724 N/A LYS 283.A N LEU 280.A O no hydrogen 3.150 N/A THR 284.A N LEU 280.A O no hydrogen 3.122 N/A THR 284.A OG1 LEU 280.A O no hydrogen 3.244 N/A THR 284.A OG1 PHE 281.A O no hydrogen 3.093 N/A PHE 286.A N LEU 336.A O no hydrogen 2.798 N/A ILE 289.A N PHE 286.A O no hydrogen 3.203 N/A PHE 290.A N PHE 286.A O no hydrogen 3.008 N/A ALA 296.A N ASP 292.A O no hydrogen 3.049 N/A CYS 297.A SG PRO 298.A O no hydrogen 3.879 N/A THR 300.A OG1 GLU 305.A O no hydrogen 3.217 N/A GLN 301.A N GLN 301.A OE1 no hydrogen 2.731 N/A LYS 302.A NZ GLU 305.A O no hydrogen 3.313 N/A GLU 305.A N LYS 302.A O no hydrogen 2.794 N/A HIS 307.A NE2 GLU 228.A O no hydrogen 3.101 N/A ILE 309.A N HIS 307.A ND1 no hydrogen 3.385 N/A TYR 310.A OH THR 344.A O no hydrogen 3.064 N/A ARG 311.A N HIS 307.A O no hydrogen 2.804 N/A ALA 312.A N PHE 308.A O no hydrogen 3.286 N/A LEU 313.A N ILE 309.A O no hydrogen 3.052 N/A LEU 314.A N TYR 310.A O no hydrogen 3.251 N/A TYR 316.A N LEU 313.A O no hydrogen 3.084 N/A TYR 316.A OH SER 270.A OG no hydrogen 2.644 N/A LEU 317.A N LEU 313.A O no hydrogen 3.296 N/A VAL 318.A N LEU 314.A O no hydrogen 2.817 N/A LEU 320.A N LEU 317.A O no hydrogen 3.196 N/A VAL 321.A N LEU 317.A O no hydrogen 3.344 N/A SER 323.A N THR 319.A O no hydrogen 3.249 N/A SER 323.A OG THR 319.A O no hydrogen 3.247 N/A SER 323.A OG LEU 320.A O no hydrogen 2.851 N/A LYS 326.A NZ GLU 388.A OE1 no hydrogen 3.161 N/A ASN 331.A N ASP 334.A OD2 no hydrogen 3.049 N/A ASN 331.A ND2 PRO 325.A O no hydrogen 3.140 N/A ALA 333.A N ASN 331.A OD1 no hydrogen 3.242 N/A ASP 334.A N ASN 331.A O no hydrogen 3.085 N/A LEU 336.A N THR 284.A O no hydrogen 3.083 N/A VAL 337.A N PHE 381.A O no hydrogen 2.611 N/A SER 338.A OG PRO 376.A O no hydrogen 2.597 N/A SER 338.A OG LYS 378.A O no hydrogen 2.996 N/A ALA 342.A N SER 338.A O no hydrogen 2.794 N/A ALA 343.A N VAL 339.A O no hydrogen 2.802 N/A THR 344.A N LEU 340.A O no hydrogen 3.122 N/A THR 344.A OG1 LEU 340.A O no hydrogen 3.416 N/A THR 344.A OG1 GLU 341.A O no hydrogen 2.663 N/A LEU 345.A N GLU 341.A O no hydrogen 3.268 N/A LEU 346.A N ALA 342.A O no hydrogen 3.046 N/A GLY 347.A N ALA 343.A O no hydrogen 2.815 N/A THR 348.A N ALA 343.A O no hydrogen 3.167 N/A GLN 352.A N SER 349.A OG no hydrogen 3.395 N/A TYR 354.A N VAL 350.A O no hydrogen 2.968 N/A ARG 355.A N GLU 351.A O no hydrogen 2.804 N/A LEU 356.A N GLN 352.A O no hydrogen 3.206 N/A TYR 357.A N VAL 353.A O no hydrogen 3.332 N/A GLN 358.A N TYR 354.A O no hydrogen 2.799 N/A ASN 359.A N ARG 355.A O no hydrogen 3.050 N/A GLY 360.A N TYR 357.A O no hydrogen 3.270 N/A ILE 361.A N LEU 356.A O no hydrogen 2.726 N/A THR 364.A OG1 PHE 366.A O no hydrogen 3.426 N/A ARG 367.A NH1 TYR 357.A OH no hydrogen 3.054 N/A ARG 367.A NH2 TYR 357.A OH no hydrogen 2.850 N/A ASN 371.A N LYS 369.A O no hydrogen 2.702 N/A ARG 373.A NH1 ILE 374.A O no hydrogen 3.320 N/A GLY 379.A N GLU 285.A OE2 no hydrogen 2.747 N/A ALA 380.A N VAL 337.A O no hydrogen 3.003 N/A PHE 381.A N VAL 337.A O no hydrogen 2.959 N/A LEU 383.A N LEU 335.A O no hydrogen 2.817 N/A ARG 384.A NE ASP 334.A OD1 no hydrogen 3.052 N/A ARG 384.A NH1 ASN 324.A O no hydrogen 3.101 N/A ARG 384.A NH2 ASN 331.A OD1 no hydrogen 2.773 N/A ARG 384.A NH2 ASP 334.A OD1 no hydrogen 3.202 N/A ARG 384.A NH2 ASP 334.A OD2 no hydrogen 2.853 N/A HIS 385.A NE2 GLN 363.A O no hydrogen 3.169 N/A ILE 387.A N LEU 383.A O no hydrogen 3.384 N/A ILE 387.A N ARG 384.A O no hydrogen 3.328 N/A GLU 388.A N ARG 384.A O no hydrogen 3.393 N/A TYR 389.A N HIS 385.A O no hydrogen 2.809 N/A LYS 390.A NZ LEU 345.A O no hydrogen 2.898 N/A THR 391.A N ILE 387.A O no hydrogen 2.812 N/A THR 391.A OG1 GLU 388.A O no hydrogen 2.905 N/A SER 392.A N TYR 389.A O no hydrogen 3.310 N/A SER 392.A OG TYR 389.A O no hydrogen 2.408 N/A