Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gmx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N VAL 15.A O no hydrogen 2.884 N/A TYR 4.A OH TYR 19.A O no hydrogen 2.568 N/A VAL 6.A N PHE 13.A O no hydrogen 2.460 N/A SER 11.A OG SER 51.A OG no hydrogen 3.315 N/A PHE 13.A N VAL 6.A O no hydrogen 2.885 N/A THR 14.A N TYR 98.A OH no hydrogen 2.787 N/A ARG 18.A NH1 TYR 19.A OH no hydrogen 2.980 N/A TYR 19.A N LEU 16.A O no hydrogen 3.304 N/A TYR 19.A OH ASN 83.A OD1 no hydrogen 2.949 N/A GLN 20.A N TYR 37.A O no hydrogen 2.830 N/A ILE 25.A N VAL 33.A O no hydrogen 3.115 N/A GLY 26.A N VAL 33.A O no hydrogen 3.346 N/A ILE 32.A N LYS 49.A O no hydrogen 3.103 N/A VAL 33.A N GLY 26.A O no hydrogen 2.909 N/A CYS 34.A N ILE 47.A O no hydrogen 3.002 N/A ALA 35.A N LYS 23.A O no hydrogen 2.941 N/A ALA 36.A N VAL 45.A O no hydrogen 3.216 N/A TYR 37.A N GLN 20.A O no hydrogen 3.048 N/A LEU 41.A N ASP 38.A O no hydrogen 2.695 N/A GLU 42.A N ASP 38.A O no hydrogen 3.041 N/A VAL 45.A N ALA 36.A O no hydrogen 2.803 N/A ALA 46.A N MET 101.A O no hydrogen 2.900 N/A ILE 47.A N CYS 34.A O no hydrogen 3.103 N/A LYS 48.A N ILE 99.A O no hydrogen 2.638 N/A LYS 48.A NZ GLN 30.A OE1 no hydrogen 3.078 N/A LYS 48.A NZ GLU 66.A OE1 no hydrogen 3.451 N/A LYS 49.A N ILE 32.A O no hydrogen 3.165 N/A LEU 50.A N VAL 97.A O no hydrogen 2.835 N/A SER 51.A OG SER 11.A OG no hydrogen 3.315 N/A ARG 52.A N ASP 96.A OD1 no hydrogen 2.854 N/A GLN 55.A N PRO 53.A O no hydrogen 2.574 N/A THR 58.A N ASN 56.A OD1 no hydrogen 2.945 N/A HIS 59.A N ASN 56.A OD1 no hydrogen 3.464 N/A LYS 61.A N THR 58.A O no hydrogen 2.961 N/A LYS 61.A NZ ASP 336.A O no hydrogen 3.117 N/A ARG 62.A N THR 58.A O no hydrogen 3.017 N/A TYR 64.A N ALA 60.A O no hydrogen 3.400 N/A ARG 65.A N LYS 61.A O no hydrogen 3.235 N/A ARG 65.A NH2 GLY 164.A O no hydrogen 3.410 N/A GLU 66.A N ARG 62.A O no hydrogen 3.207 N/A LEU 67.A N ALA 63.A O no hydrogen 2.627 N/A VAL 68.A N TYR 64.A O no hydrogen 3.244 N/A LEU 69.A N ARG 65.A O no hydrogen 2.866 N/A MET 70.A N GLU 66.A O no hydrogen 2.786 N/A LYS 71.A N LEU 67.A O no hydrogen 3.119 N/A CYS 72.A N LEU 69.A O no hydrogen 3.050 N/A CYS 72.A SG VAL 68.A O no hydrogen 3.375 N/A CYS 72.A SG LYS 329.A O no hydrogen 4.005 N/A VAL 73.A N LEU 69.A O no hydrogen 3.045 N/A LYS 76.A NZ TYR 123.A OH no hydrogen 3.192 N/A LYS 76.A NZ GLU 322.A OE2 no hydrogen 3.497 N/A GLY 80.A N GLU 102.A OE2 no hydrogen 3.113 N/A ASN 83.A N VAL 100.A O no hydrogen 2.936 N/A PHE 85.A N TYR 98.A O no hydrogen 3.008 N/A THR 86.A OG1 GLN 88.A OE1 no hydrogen 2.825 N/A THR 86.A OG1 ASP 96.A O no hydrogen 2.625 N/A LYS 89.A NZ ASN 1.A OD1 no hydrogen 3.448 N/A GLU 92.A N SER 90.A OG no hydrogen 3.366 N/A TYR 98.A N PHE 85.A O no hydrogen 2.917 N/A ILE 99.A N LYS 48.A O no hydrogen 2.574 N/A VAL 100.A N ASN 83.A O no hydrogen 2.520 N/A MET 101.A N ALA 46.A O no hydrogen 2.777 N/A LEU 108.A N ILE 150.A O no hydrogen 2.510 N/A CYS 109.A SG ASN 107.A OD1 no hydrogen 3.093 N/A GLN 110.A N ASN 107.A O no hydrogen 2.730 N/A VAL 111.A N LEU 108.A O no hydrogen 2.612 N/A ILE 112.A N LEU 108.A O no hydrogen 2.862 N/A HIS 118.A ND1 TYR 313.A OH no hydrogen 2.307 N/A ARG 120.A N ASP 117.A OD2 no hydrogen 3.276 N/A MET 121.A N ASP 117.A O no hydrogen 3.276 N/A SER 122.A N HIS 118.A O no hydrogen 2.924 N/A SER 122.A OG HIS 118.A O no hydrogen 2.835 N/A SER 122.A OG GLU 119.A O no hydrogen 2.695 N/A TYR 123.A N GLU 119.A O no hydrogen 3.146 N/A TYR 123.A N ARG 120.A O no hydrogen 2.485 N/A LEU 124.A N ARG 120.A O no hydrogen 3.102 N/A LEU 125.A N MET 121.A O no hydrogen 2.960 N/A TYR 126.A N SER 122.A O no hydrogen 2.903 N/A TYR 126.A OH GLU 322.A OE2 no hydrogen 3.314 N/A GLN 127.A N TYR 123.A O no hydrogen 2.409 N/A MET 128.A N LEU 124.A O no hydrogen 2.499 N/A LEU 129.A N LEU 125.A O no hydrogen 2.610 N/A CYS 130.A N TYR 126.A O no hydrogen 2.718 N/A CYS 130.A SG TYR 126.A O no hydrogen 2.856 N/A CYS 130.A SG GLN 127.A O no hydrogen 3.543 N/A GLY 131.A N GLN 127.A O no hydrogen 3.320 N/A ILE 132.A N MET 128.A O no hydrogen 3.180 N/A LYS 133.A N LEU 129.A O no hydrogen 2.934 N/A LYS 133.A NZ ALA 323.A O no hydrogen 2.596 N/A HIS 134.A N CYS 130.A O no hydrogen 2.782 N/A LEU 135.A N GLY 131.A O no hydrogen 2.952 N/A HIS 136.A N ILE 132.A O no hydrogen 2.923 N/A HIS 136.A NE2 ASP 200.A OD2 no hydrogen 2.489 N/A SER 137.A N LYS 133.A O no hydrogen 2.941 N/A SER 137.A OG LYS 133.A O no hydrogen 2.621 N/A ALA 138.A N HIS 136.A O no hydrogen 2.338 N/A GLY 139.A N HIS 136.A O no hydrogen 2.406 N/A ILE 141.A N ARG 167.A O no hydrogen 2.733 N/A HIS 142.A N ASP 200.A OD2 no hydrogen 2.656 N/A HIS 142.A NE2 LEU 161.A O no hydrogen 2.619 N/A ARG 143.A N ASP 200.A OD1 no hydrogen 2.467 N/A LYS 146.A NZ ASP 144.A OD1 no hydrogen 3.552 N/A LYS 146.A NZ THR 181.A OG1 no hydrogen 3.391 N/A ASN 149.A N LYS 146.A O no hydrogen 2.498 N/A ILE 150.A N PRO 147.A O no hydrogen 2.688 N/A VAL 151.A N LYS 159.A O no hydrogen 2.991 N/A CYS 156.A N LYS 153.A O no hydrogen 2.882 N/A THR 157.A N ASP 155.A OD1 no hydrogen 3.380 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.614 N/A LYS 159.A N VAL 151.A O no hydrogen 2.579 N/A LYS 159.A NZ HIS 75.A O no hydrogen 3.371 N/A LYS 159.A NZ LYS 76.A O no hydrogen 3.536 N/A LYS 159.A NZ GLU 102.A OE2 no hydrogen 3.535 N/A ILE 160.A N ASN 77.A O no hydrogen 2.812 N/A GLY 164.A N ASP 162.A OD2 no hydrogen 2.896 N/A ARG 167.A NH2 ASP 336.A O no hydrogen 3.137 N/A THR 168.A N ASP 336.A OD2 no hydrogen 3.406 N/A THR 168.A OG1 ASP 336.A OD2 no hydrogen 3.462 N/A GLY 170.A N THR 168.A O no hydrogen 2.739 N/A VAL 180.A N PRO 177.A O no hydrogen 2.986 N/A THR 181.A OG1 ASP 144.A OD1 no hydrogen 3.516 N/A ARG 182.A NH1 GLY 220.A O no hydrogen 2.839 N/A TYR 184.A N THR 181.A O no hydrogen 3.370 N/A TYR 184.A OH GLU 210.A OE1 no hydrogen 2.621 N/A TYR 184.A OH GLU 210.A OE2 no hydrogen 2.793 N/A ARG 185.A N ARG 182.A O no hydrogen 2.551 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.855 N/A VAL 189.A N ALA 186.A O no hydrogen 2.656 N/A ILE 190.A N ALA 186.A O no hydrogen 2.848 N/A LEU 191.A N PRO 187.A O no hydrogen 2.952 N/A GLY 192.A N VAL 189.A O no hydrogen 2.573 N/A MET 193.A N GLU 188.A O no hydrogen 2.622 N/A VAL 199.A N LYS 196.A O no hydrogen 3.027 N/A LEU 201.A N ASN 198.A O no hydrogen 2.402 N/A SER 203.A N VAL 199.A O no hydrogen 3.321 N/A SER 203.A OG TYR 184.A O no hydrogen 3.482 N/A VAL 204.A N ASP 200.A O no hydrogen 3.028 N/A GLY 205.A N LEU 201.A O no hydrogen 2.600 N/A CYS 206.A N TRP 202.A O no hydrogen 2.842 N/A CYS 206.A SG TYR 183.A O no hydrogen 3.754 N/A CYS 206.A SG TRP 202.A O no hydrogen 3.222 N/A ILE 207.A N VAL 204.A O no hydrogen 3.348 N/A MET 208.A N VAL 204.A O no hydrogen 3.190 N/A GLY 209.A N GLY 205.A O no hydrogen 3.179 N/A GLU 210.A N ILE 207.A O no hydrogen 2.500 N/A MET 211.A N ILE 207.A O no hydrogen 2.786 N/A CYS 213.A N GLY 209.A O no hydrogen 2.662 N/A HIS 214.A N GLU 210.A O no hydrogen 2.993 N/A HIS 214.A ND1 ILE 112.A O no hydrogen 2.834 N/A ASP 225.A N ASP 222.A O no hydrogen 2.903 N/A ASP 225.A N ASP 222.A OD1 no hydrogen 2.501 N/A GLN 226.A N ASP 222.A O no hydrogen 3.014 N/A GLN 226.A NE2 PHE 218.A O no hydrogen 3.309 N/A GLN 226.A NE2 PRO 219.A O no hydrogen 2.425 N/A LYS 229.A N GLN 226.A O no hydrogen 2.736 N/A VAL 230.A N GLN 226.A O no hydrogen 2.824 N/A ILE 231.A N TRP 227.A O no hydrogen 3.177 N/A GLN 233.A N VAL 230.A O no hydrogen 3.087 N/A LEU 234.A N VAL 230.A O no hydrogen 3.086 N/A THR 236.A N TYR 259.A O no hydrogen 2.920 N/A THR 236.A OG1 TYR 259.A O no hydrogen 3.409 N/A CYS 238.A SG ASP 298.A OD2 no hydrogen 3.885 N/A PHE 241.A N CYS 238.A O no hydrogen 2.483 N/A LYS 243.A N PRO 239.A O no hydrogen 3.264 N/A LYS 244.A N PHE 241.A O no hydrogen 2.588 N/A LEU 245.A N PHE 241.A O no hydrogen 3.397 N/A GLN 246.A NE2 GLY 192.A O no hydrogen 2.529 N/A ARG 250.A N GLN 246.A O no hydrogen 3.212 N/A ARG 250.A NE GLU 254.A OE2 no hydrogen 2.795 N/A THR 251.A N PRO 247.A O no hydrogen 3.418 N/A TYR 252.A N THR 248.A O no hydrogen 3.420 N/A VAL 253.A N VAL 249.A O no hydrogen 2.657 N/A GLU 254.A N ARG 250.A O no hydrogen 2.680 N/A ASN 255.A N THR 251.A O no hydrogen 2.815 N/A ASN 255.A ND2 THR 251.A O no hydrogen 2.633 N/A ARG 256.A N TYR 252.A O no hydrogen 3.073 N/A ARG 256.A NH2 ASN 228.A OD1 no hydrogen 3.033 N/A LYS 258.A NZ GLU 254.A O no hydrogen 2.859 N/A LYS 258.A NZ ARG 256.A O no hydrogen 3.466 N/A TYR 259.A N THR 236.A OG1 no hydrogen 2.553 N/A TYR 262.A N GLN 233.A O no hydrogen 3.167 N/A LYS 266.A N SER 263.A O no hydrogen 2.700 N/A LEU 267.A N SER 263.A O no hydrogen 3.122 N/A PHE 268.A N PHE 264.A O no hydrogen 3.087 N/A SER 277.A OG ALA 275.A O no hydrogen 3.190 N/A LYS 281.A N ASN 280.A OD1 no hydrogen 2.549 N/A LEU 282.A N HIS 279.A O no hydrogen 2.974 N/A ALA 284.A N ASP 276.A OD1 no hydrogen 2.488 N/A GLN 286.A N LYS 283.A O no hydrogen 2.773 N/A ALA 287.A N LYS 283.A O no hydrogen 3.214 N/A ARG 288.A N ALA 284.A O no hydrogen 2.916 N/A ARG 288.A NE PHE 268.A O no hydrogen 3.406 N/A ARG 288.A NH1 ASP 270.A OD1 no hydrogen 3.384 N/A ARG 288.A NH2 PHE 268.A O no hydrogen 3.074 N/A ARG 288.A NH2 ASP 270.A OD1 no hydrogen 2.649 N/A ASP 289.A N SER 285.A O no hydrogen 2.963 N/A LEU 290.A N GLN 286.A O no hydrogen 2.843 N/A LEU 291.A N ALA 287.A O no hydrogen 3.398 N/A SER 292.A N ARG 288.A O no hydrogen 2.662 N/A SER 292.A OG ARG 288.A O no hydrogen 3.050 N/A LYS 293.A N LEU 290.A O no hydrogen 2.683 N/A LYS 293.A NZ ASP 289.A OD1 no hydrogen 2.645 N/A MET 294.A N LEU 290.A O no hydrogen 3.264 N/A MET 294.A N LEU 291.A O no hydrogen 2.641 N/A LEU 295.A N LEU 291.A O no hydrogen 2.971 N/A SER 300.A OG ASP 298.A OD1 no hydrogen 2.805 N/A LYS 301.A N ASP 298.A O no hydrogen 3.213 N/A ARG 302.A NE VAL 296.A O no hydrogen 2.974 N/A ARG 302.A NH1 GLU 188.A OE1 no hydrogen 3.521 N/A ARG 302.A NH1 GLU 188.A OE2 no hydrogen 3.365 N/A ARG 302.A NH2 GLU 188.A OE1 no hydrogen 2.984 N/A ARG 302.A NH2 VAL 296.A O no hydrogen 2.536 N/A ARG 302.A NH2 ILE 297.A O no hydrogen 3.325 N/A ILE 303.A N LYS 293.A O no hydrogen 2.806 N/A GLU 307.A N GLU 307.A OE2 no hydrogen 2.450 N/A ALA 308.A N SER 304.A O no hydrogen 3.086 N/A ALA 308.A N VAL 305.A O no hydrogen 2.689 N/A LEU 309.A N VAL 305.A O no hydrogen 2.802 N/A GLN 310.A N ASP 306.A O no hydrogen 2.469 N/A HIS 311.A NE2 GLN 286.A O no hydrogen 3.135 N/A TYR 313.A OH HIS 118.A ND1 no hydrogen 2.307 N/A ASN 315.A ND2 GLN 310.A OE1 no hydrogen 3.403 N/A TRP 317.A N ILE 314.A O no hydrogen 3.299 N/A TYR 318.A N ASN 315.A O no hydrogen 2.582 N/A SER 321.A OG ASP 319.A O no hydrogen 3.529 N/A GLU 322.A N ASP 319.A O no hydrogen 2.730 N/A THR 341.A N GLU 344.A OE2 no hydrogen 2.982 N/A TRP 345.A N THR 341.A O no hydrogen 3.117 N/A LYS 346.A N ILE 342.A O no hydrogen 2.906 N/A LEU 348.A N GLU 344.A O no hydrogen 2.697 N/A ILE 349.A N TRP 345.A O no hydrogen 2.319 N/A TYR 350.A N LYS 346.A O no hydrogen 2.447 N/A TYR 350.A OH LYS 89.A O no hydrogen 2.669 N/A LYS 351.A N GLU 347.A O no hydrogen 2.699 N/A GLU 352.A N ILE 349.A O no hydrogen 2.926 N/A VAL 353.A N TYR 350.A O no hydrogen 3.163 N/A LEU 356.A N VAL 353.A O no hydrogen 2.643 N/A