Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g8r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N THR 208.A O no hydrogen 2.903 N/A PHE 4.A N ASP 34.A O no hydrogen 2.904 N/A ILE 5.A N PHE 210.A O no hydrogen 2.612 N/A PHE 6.A N GLY 36.A O no hydrogen 2.777 N/A GLU 7.A N LYS 212.A O no hydrogen 2.944 N/A ASN 10.A ND2 VAL 214.A O no hydrogen 2.868 N/A HIS 11.A NE2 THR 67.A O no hydrogen 3.215 N/A ASN 13.A N HIS 11.A O no hydrogen 2.956 N/A ASN 13.A ND2 TYR 221.A OH no hydrogen 3.447 N/A HIS 16.A N ASN 13.A OD1 no hydrogen 3.053 N/A HIS 16.A NE2 LEU 216.A O no hydrogen 3.325 N/A VAL 18.A N VAL 14.A O no hydrogen 2.831 N/A ALA 19.A N GLU 15.A O no hydrogen 2.870 N/A ILE 21.A N GLY 17.A O no hydrogen 3.216 N/A ARG 22.A N VAL 18.A O no hydrogen 3.147 N/A ARG 22.A NE GLU 79.A OE1 no hydrogen 3.073 N/A ARG 22.A NH2 GLU 79.A OE1 no hydrogen 3.554 N/A ARG 22.A NH2 GLU 79.A OE2 no hydrogen 3.264 N/A ILE 24.A N LEU 20.A O no hydrogen 3.029 N/A ARG 25.A N ILE 21.A O no hydrogen 2.807 N/A GLU 26.A N ARG 22.A O no hydrogen 3.250 N/A SER 27.A N ALA 23.A O no hydrogen 2.948 N/A SER 27.A OG ALA 23.A O no hydrogen 3.349 N/A SER 27.A OG PRO 230.A O no hydrogen 2.660 N/A CYS 28.A N ILE 24.A O no hydrogen 3.163 N/A CYS 28.A SG ILE 24.A O no hydrogen 3.424 N/A GLN 29.A N GLU 26.A O no hydrogen 3.320 N/A PHE 31.A N CYS 28.A O no hydrogen 3.217 N/A ASP 34.A N PRO 2.A O no hydrogen 2.921 N/A GLY 36.A N PHE 4.A O no hydrogen 2.753 N/A PHE 37.A N LYS 85.A O no hydrogen 2.832 N/A LYS 38.A N PHE 6.A O no hydrogen 2.746 N/A LYS 38.A NZ GLU 7.A OE2 no hydrogen 2.829 N/A LYS 38.A NZ THR 89.A OG1 no hydrogen 2.363 N/A LEU 39.A N ILE 87.A O no hydrogen 3.087 N/A GLN 40.A NE2 GLU 7.A OE2 no hydrogen 3.184 N/A TYR 41.A N THR 89.A O no hydrogen 2.633 N/A TYR 41.A OH HIS 102.A ND1 no hydrogen 2.504 N/A ARG 42.A NH1 GLN 40.A OE1 no hydrogen 2.893 N/A ARG 42.A NH2 GLN 40.A OE1 no hydrogen 3.323 N/A ASN 43.A N ASP 92.A OD1 no hydrogen 2.397 N/A THR 46.A OG1 ASN 43.A O no hydrogen 2.940 N/A THR 46.A OG1 ASN 43.A OD1 no hydrogen 3.177 N/A THR 46.A OG1 ASP 92.A OD2 no hydrogen 3.541 N/A PHE 47.A N ASN 43.A O no hydrogen 2.741 N/A ILE 48.A N LEU 44.A O no hydrogen 3.335 N/A HIS 49.A ND1 SER 51.A OG no hydrogen 2.941 N/A SER 51.A N HIS 49.A ND1 no hydrogen 3.060 N/A SER 51.A OG HIS 49.A ND1 no hydrogen 2.941 N/A PHE 52.A N HIS 49.A O no hydrogen 2.706 N/A LYS 53.A N HIS 49.A O no hydrogen 3.108 N/A LYS 53.A N SER 50.A O no hydrogen 3.147 N/A LYS 53.A NZ ASP 45.A O no hydrogen 2.995 N/A LYS 53.A NZ ILE 48.A O no hydrogen 2.679 N/A GLY 54.A N GLU 65.A OE1 no hydrogen 3.157 N/A GLY 54.A N GLU 65.A OE2 no hydrogen 3.145 N/A ARG 55.A N PHE 52.A O no hydrogen 3.190 N/A ARG 55.A NE ASP 57.A OD2 no hydrogen 2.913 N/A ARG 55.A NH1 ASP 57.A OD1 no hydrogen 2.831 N/A ARG 55.A NH1 ASP 57.A OD2 no hydrogen 3.258 N/A ARG 55.A NH2 SER 51.A O no hydrogen 3.134 N/A ARG 63.A NH2 ASN 10.A OD1 no hydrogen 3.228 N/A PHE 64.A N TYR 60.A O no hydrogen 2.811 N/A GLU 65.A N VAL 61.A O no hydrogen 2.991 N/A GLU 66.A N LYS 62.A O no hydrogen 2.939 N/A THR 67.A N ARG 63.A O no hydrogen 3.352 N/A THR 67.A OG1 ARG 63.A O no hydrogen 2.853 N/A ARG 68.A N GLU 65.A O no hydrogen 3.409 N/A ARG 68.A NE GLN 70.A OE1 no hydrogen 3.534 N/A ARG 68.A NH1 ASP 45.A OD1 no hydrogen 2.932 N/A GLN 70.A N GLN 73.A OE1 no hydrogen 2.801 N/A GLN 74.A NE2 GLN 74.A O no hydrogen 3.597 N/A GLN 74.A NE2 HIS 102.A O no hydrogen 3.506 N/A LYS 75.A N GLU 72.A O no hydrogen 3.295 N/A LEU 76.A N GLN 73.A O no hydrogen 3.161 N/A ALA 78.A N GLN 74.A O no hydrogen 3.069 N/A GLU 79.A N LYS 75.A O no hydrogen 3.172 N/A LYS 80.A NZ GLY 103.A O no hydrogen 2.910 N/A ALA 81.A N ALA 78.A O no hydrogen 2.816 N/A ASN 82.A N GLU 79.A O no hydrogen 2.908 N/A ASN 82.A ND2 GLU 79.A O no hydrogen 2.899 N/A ASN 82.A ND2 GLU 79.A OE1 no hydrogen 3.275 N/A GLY 83.A N LYS 80.A O no hydrogen 2.888 N/A LYS 85.A N PHE 35.A O no hydrogen 3.001 N/A ALA 86.A N GLU 105.A OE2 no hydrogen 3.221 N/A ILE 87.A N PHE 37.A O no hydrogen 2.872 N/A CYS 88.A N ILE 106.A O no hydrogen 3.073 N/A CYS 88.A SG LEU 39.A O no hydrogen 3.451 N/A THR 89.A N LEU 39.A O no hydrogen 2.923 N/A PHE 91.A N TYR 41.A O no hydrogen 2.885 N/A SER 95.A N ASP 92.A O no hydrogen 3.250 N/A SER 95.A OG ASP 92.A OD1 no hydrogen 3.023 N/A VAL 96.A N ASP 92.A O no hydrogen 3.393 N/A ASP 97.A N GLU 93.A O no hydrogen 3.255 N/A LEU 98.A N GLU 94.A O no hydrogen 3.107 N/A ILE 99.A N SER 95.A O no hydrogen 2.754 N/A GLU 100.A N VAL 96.A O no hydrogen 3.037 N/A ALA 101.A N ASP 97.A O no hydrogen 3.199 N/A HIS 102.A N LEU 98.A O no hydrogen 3.062 N/A HIS 102.A ND1 TYR 41.A OH no hydrogen 2.504 N/A GLY 103.A N GLU 100.A O no hydrogen 2.936 N/A ILE 104.A N ILE 99.A O no hydrogen 3.352 N/A GLU 105.A N ALA 86.A O no hydrogen 3.080 N/A ILE 107.A N PRO 129.A O no hydrogen 3.191 N/A LYS 108.A N CYS 88.A O no hydrogen 2.866 N/A LYS 108.A NZ SER 133.A OG no hydrogen 2.600 N/A LYS 108.A NZ GLU 211.A OE2 no hydrogen 3.080 N/A ILE 109.A N VAL 131.A O no hydrogen 2.597 N/A CYS 112.A SG SER 113.A OG no hydrogen 3.559 N/A PHE 114.A N SER 111.A O no hydrogen 3.282 N/A ASP 116.A N SER 113.A O no hydrogen 2.981 N/A LEU 120.A N ASP 116.A O no hydrogen 3.034 N/A GLU 121.A N TRP 117.A O no hydrogen 2.849 N/A ARG 122.A N PRO 118.A O no hydrogen 3.161 N/A ARG 122.A NE ARG 122.A O no hydrogen 2.614 N/A ARG 122.A NH2 GLU 100.A OE1 no hydrogen 3.512 N/A ARG 122.A NH2 ARG 122.A O no hydrogen 3.272 N/A ILE 123.A N LEU 119.A O no hydrogen 3.055 N/A ALA 124.A N LEU 120.A O no hydrogen 2.750 N/A ARG 125.A N GLU 121.A O no hydrogen 3.224 N/A SER 126.A N ILE 123.A O no hydrogen 2.811 N/A SER 126.A OG GLU 100.A OE1 no hydrogen 2.606 N/A LYS 128.A NZ ILE 104.A O no hydrogen 2.366 N/A VAL 130.A N ASP 154.A O no hydrogen 2.860 N/A VAL 131.A N ILE 107.A O no hydrogen 2.924 N/A ALA 132.A N THR 156.A O no hydrogen 2.818 N/A SER 133.A N ILE 109.A O no hydrogen 2.948 N/A ALA 137.A N THR 134.A O no hydrogen 2.794 N/A ILE 142.A N ARG 138.A O no hydrogen 3.046 N/A ASP 143.A N ARG 139.A O no hydrogen 2.783 N/A LYS 144.A N GLU 140.A O no hydrogen 2.943 N/A VAL 145.A N ASP 141.A O no hydrogen 2.870 N/A VAL 146.A N ILE 142.A O no hydrogen 2.655 N/A SER 147.A N ASP 143.A O no hydrogen 2.937 N/A PHE 148.A N LYS 144.A O no hydrogen 2.811 N/A HIS 150.A N SER 147.A O no hydrogen 2.883 N/A ARG 151.A NH1 PHE 148.A O no hydrogen 3.136 N/A ARG 151.A NH1 HIS 150.A O no hydrogen 3.408 N/A GLY 152.A N LEU 149.A O no hydrogen 3.052 N/A LYS 153.A NZ ALA 124.A O no hydrogen 3.027 N/A LYS 153.A NZ SER 126.A O no hydrogen 2.947 N/A THR 156.A N VAL 130.A O no hydrogen 2.787 N/A ILE 157.A N ARG 186.A O no hydrogen 2.924 N/A HIS 158.A NE2 LEU 170.A O no hydrogen 2.907 N/A CYS 159.A SG SER 111.A OG no hydrogen 3.522 N/A THR 165.A N HIS 192.A O no hydrogen 2.824 N/A THR 165.A OG1 GLU 162.A O no hydrogen 2.666 N/A HIS 169.A N PRO 166.A O no hydrogen 2.708 N/A HIS 169.A ND1 GLU 162.A OE2 no hydrogen 3.030 N/A LEU 170.A N ASP 167.A O no hydrogen 3.315 N/A ARG 174.A N HIS 171.A O no hydrogen 3.153 N/A ARG 174.A NE HIS 158.A ND1 no hydrogen 3.120 N/A ARG 174.A NH2 THR 134.A O no hydrogen 3.033 N/A ARG 174.A NH2 THR 134.A OG1 no hydrogen 2.771 N/A ILE 175.A N LEU 172.A O no hydrogen 2.845 N/A LYS 176.A N ALA 173.A O no hydrogen 3.121 N/A THR 177.A N ALA 173.A O no hydrogen 3.329 N/A LEU 178.A N ARG 174.A O no hydrogen 2.863 N/A ARG 179.A N ILE 175.A O no hydrogen 2.948 N/A GLN 180.A N LYS 176.A O no hydrogen 2.833 N/A GLN 181.A N THR 177.A O no hydrogen 3.033 N/A TYR 182.A N LEU 178.A O no hydrogen 3.163 N/A TYR 182.A OH ASP 143.A OD1 no hydrogen 2.431 N/A ARG 186.A NH2 ASP 154.A OD1 no hydrogen 2.501 N/A ARG 186.A NH2 ASP 154.A OD2 no hydrogen 3.175 N/A GLY 188.A N ILE 157.A O no hydrogen 2.903 N/A TYR 189.A N VAL 209.A O no hydrogen 2.960 N/A TYR 189.A OH GLU 193.A OE1 no hydrogen 2.867 N/A SER 190.A N HIS 158.A O no hydrogen 2.852 N/A THR 191.A N GLU 211.A O no hydrogen 2.899 N/A THR 191.A OG1 TYR 189.A OH no hydrogen 2.718 N/A THR 191.A OG1 GLU 193.A OE1 no hydrogen 2.534 N/A HIS 192.A ND1 VAL 160.A O no hydrogen 3.033 N/A GLU 193.A N THR 191.A OG1 no hydrogen 3.345 N/A ALA 202.A N PRO 199.A O no hydrogen 2.778 N/A VAL 203.A N ILE 200.A O no hydrogen 2.765 N/A GLN 205.A N LEU 201.A O no hydrogen 3.225 N/A GLN 205.A N ALA 202.A O no hydrogen 3.072 N/A GLY 206.A N VAL 203.A O no hydrogen 2.857 N/A ALA 207.A N ALA 202.A O no hydrogen 3.359 N/A THR 208.A N ILE 187.A O no hydrogen 2.943 N/A PHE 210.A N LEU 3.A O no hydrogen 2.790 N/A GLU 211.A N TYR 189.A O no hydrogen 2.972 N/A LYS 212.A N ILE 5.A O no hydrogen 3.015 N/A LYS 212.A NZ GLU 193.A OE2 no hydrogen 2.757 N/A VAL 214.A N GLU 7.A O no hydrogen 2.870 N/A GLY 215.A N ALA 228.A O no hydrogen 3.214 N/A THR 218.A N TYR 221.A O no hydrogen 3.172 N/A THR 218.A OG1 PRO 217.A O no hydrogen 2.999 N/A ALA 228.A N HIS 213.A O no hydrogen 2.926 N/A GLN 232.A N ASN 229.A O no hydrogen 2.950 N/A GLN 232.A N ASN 229.A OD1 no hydrogen 2.941 N/A VAL 233.A N ASN 229.A O no hydrogen 3.014 N/A ARG 234.A N PRO 230.A O no hydrogen 3.322 N/A ARG 234.A NH2 SER 27.A O no hydrogen 3.123 N/A ARG 234.A NH2 GLN 29.A O no hydrogen 2.509 N/A ARG 235.A N GLU 231.A O no hydrogen 3.443 N/A ARG 235.A NH1 ASP 196.A OD1 no hydrogen 2.937 N/A TRP 236.A N GLN 232.A O no hydrogen 2.834 N/A LEU 237.A N VAL 233.A O no hydrogen 2.942 N/A ALA 238.A N ARG 234.A O no hydrogen 2.919 N/A ALA 239.A N ARG 235.A O no hydrogen 2.934 N/A ALA 240.A N TRP 236.A O no hydrogen 3.322 N/A ALA 241.A N LEU 237.A O no hydrogen 2.849 N/A ARG 242.A N ALA 238.A O no hydrogen 2.912 N/A ALA 243.A N ALA 239.A O no hydrogen 2.948 N/A LEU 244.A N ALA 240.A O no hydrogen 2.914 N/A ALA 245.A N ALA 241.A O no hydrogen 3.302 N/A GLY 247.A N LEU 244.A O no hydrogen 3.008 N/A GLY 247.A N ALA 245.A O no hydrogen 3.150 N/A GLU 250.A N ASP 248.A OD2 no hydrogen 3.313 N/A ASP 251.A N ASP 248.A O no hydrogen 3.363 N/A ALA 260.A N GLU 256.A O no hydrogen 3.343 N/A SER 261.A N THR 257.A O no hydrogen 2.937 N/A SER 261.A OG THR 257.A O no hydrogen 3.531 N/A LEU 262.A N GLU 258.A O no hydrogen 2.808 N/A ARG 263.A N GLN 259.A O no hydrogen 3.142 N/A ARG 263.A NH1 VAL 293.A O no hydrogen 2.830 N/A ARG 263.A NH1 GLN 296.A O no hydrogen 2.882 N/A SER 264.A N ALA 260.A O no hydrogen 2.891 N/A SER 264.A OG SER 261.A O no hydrogen 2.720 N/A LEU 265.A N LEU 262.A O no hydrogen 3.275 N/A ARG 266.A N ARG 263.A O no hydrogen 2.873 N/A GLY 268.A N ALA 289.A O no hydrogen 2.600 N/A VAL 269.A N LEU 297.A O no hydrogen 2.812 N/A PHE 270.A N SER 287.A O no hydrogen 2.814 N/A ALA 271.A N ALA 318.A O no hydrogen 2.897 N/A THR 272.A N ASN 285.A O no hydrogen 2.566 N/A VAL 275.A N ILE 314.A O no hydrogen 2.925 N/A ALA 276.A N GLU 279.A OE1 no hydrogen 3.092 N/A GLY 278.A N ALA 310.A O no hydrogen 2.466 N/A GLU 279.A N ALA 276.A O no hydrogen 3.062 N/A LEU 281.A N TYR 308.A O no hydrogen 2.972 N/A THR 282.A N ASN 285.A OD1 no hydrogen 2.817 N/A THR 282.A OG1 ASP 284.A O no hydrogen 2.714 N/A ASN 285.A ND2 ALA 280.A O no hydrogen 3.118 N/A VAL 286.A N THR 282.A O no hydrogen 3.266 N/A SER 287.A N PHE 270.A O no hydrogen 2.773 N/A ALA 289.A N GLY 268.A O no hydrogen 2.983 N/A VAL 293.A N GLN 296.A OE1 no hydrogen 3.079 N/A GLN 296.A N VAL 293.A O no hydrogen 2.689 N/A GLN 296.A NE2 VAL 269.A O no hydrogen 3.012 N/A LEU 297.A N VAL 320.A O no hydrogen 2.729 N/A THR 298.A N GLU 301.A OE2 no hydrogen 2.894 N/A THR 298.A OG1 GLU 301.A OE2 no hydrogen 2.920 N/A ALA 299.A N ARG 267.A O no hydrogen 2.703 N/A GLU 301.A N THR 298.A O no hydrogen 2.927 N/A TRP 302.A N ALA 299.A O no hydrogen 2.896 N/A SER 303.A OG TYR 305.A O no hydrogen 3.497 N/A ARG 307.A NE VAL 306.A O no hydrogen 3.365 N/A TYR 308.A OH GLU 301.A O no hydrogen 3.238 N/A THR 309.A N GLU 325.A O no hydrogen 2.924 N/A THR 309.A OG1 GLU 325.A O no hydrogen 3.080 N/A ALA 310.A N GLU 279.A O no hydrogen 2.932 N/A LYS 311.A N ASP 323.A O no hydrogen 3.068 N/A LYS 311.A NZ ALA 322.A O no hydrogen 3.016 N/A ILE 314.A N VAL 275.A O no hydrogen 2.680 N/A ASP 317.A N ALA 271.A O no hydrogen 2.739 N/A ALA 318.A N ALA 315.A O no hydrogen 3.240 N/A VAL 320.A N VAL 269.A O no hydrogen 2.955 N/A GLU 325.A N THR 309.A O no hydrogen 2.965 N/A VAL 327.A N ARG 307.A O no hydrogen 2.773 N/A