Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8rgr_P.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N HIS 2.A ND1 no hydrogen 3.521 N/A VAL 5.A N HIS 2.A O no hydrogen 3.327 N/A HIS 8.A N VAL 16.A O no hydrogen 2.815 N/A GLY 12.A N SER 15.A OG no hydrogen 2.874 N/A ARG 13.A NH1 LEU 61.A O no hydrogen 3.462 N/A ARG 13.A NH2 LEU 61.A O no hydrogen 2.924 N/A SER 14.A OG ASP 64.A OD2 no hydrogen 2.962 N/A VAL 16.A N HIS 8.A O no hydrogen 2.858 N/A SER 17.A N GLY 42.A O no hydrogen 2.784 N/A SER 17.A OG GLY 42.A O no hydrogen 2.613 N/A SER 17.A OG SER 43.A OG no hydrogen 2.295 N/A VAL 20.A N ASN 89.A OD1 no hydrogen 2.874 N/A ALA 21.A N GLN 44.A O no hydrogen 2.908 N/A THR 22.A N VAL 90.A O no hydrogen 2.893 N/A THR 22.A OG1 ALA 84.A O no hydrogen 3.109 N/A THR 22.A OG1 SER 88.A OG no hydrogen 2.317 N/A VAL 23.A N ILE 46.A O no hydrogen 2.957 N/A PHE 24.A N ILE 92.A O no hydrogen 2.956 N/A GLY 28.A N GLY 25.A O no hydrogen 3.461 N/A TYR 33.A OH GLU 175.A OE1 no hydrogen 2.906 N/A VAL 34.A N LEU 30.A O no hydrogen 3.001 N/A VAL 35.A N GLY 31.A O no hydrogen 2.888 N/A ASN 36.A N ARG 32.A O no hydrogen 2.877 N/A HIS 37.A N TYR 33.A O no hydrogen 2.950 N/A HIS 37.A ND1 TYR 33.A O no hydrogen 2.837 N/A LEU 38.A N VAL 34.A O no hydrogen 2.968 N/A GLY 39.A N VAL 35.A O no hydrogen 2.882 N/A ARG 40.A N ASN 36.A O no hydrogen 2.845 N/A MET 41.A N HIS 37.A O no hydrogen 3.011 N/A GLY 42.A N LEU 38.A O no hydrogen 2.939 N/A SER 43.A OG SER 17.A OG no hydrogen 2.295 N/A SER 43.A OG LEU 38.A O no hydrogen 3.061 N/A GLN 44.A N VAL 19.A O no hydrogen 2.935 N/A GLN 44.A NE2 GLY 66.A O no hydrogen 3.236 N/A VAL 45.A N GLN 67.A O no hydrogen 2.912 N/A ILE 46.A N ALA 21.A O no hydrogen 2.860 N/A ILE 47.A N THR 69.A O no hydrogen 2.882 N/A TYR 49.A N LEU 71.A O no hydrogen 2.906 N/A CYS 51.A SG ASP 52.A O no hydrogen 3.924 N/A ASP 52.A N ASP 55.A OD2 no hydrogen 3.317 N/A VAL 53.A N ASP 52.A OD1 no hydrogen 2.707 N/A ILE 56.A N ASP 52.A O no hydrogen 2.995 N/A ILE 56.A N VAL 53.A O no hydrogen 3.172 N/A MET 57.A N TYR 54.A O no hydrogen 3.199 N/A LEU 59.A N ILE 56.A O no hydrogen 3.190 N/A ARG 60.A N MET 57.A O no hydrogen 3.063 N/A MET 62.A N LEU 59.A O no hydrogen 3.211 N/A GLN 67.A N ASP 64.A O no hydrogen 3.291 N/A THR 69.A N VAL 45.A O no hydrogen 2.916 N/A THR 69.A OG1 GLN 44.A OE1 no hydrogen 2.939 N/A LEU 71.A N ILE 47.A O no hydrogen 2.942 N/A TRP 73.A N TYR 49.A O no hydrogen 2.951 N/A ASP 74.A N SER 80.A OG no hydrogen 3.204 N/A ARG 76.A NH2 ASP 108.A OD2 no hydrogen 3.474 N/A ASP 77.A N ASP 74.A O no hydrogen 3.087 N/A SER 80.A OG ASP 74.A O no hydrogen 2.994 N/A SER 80.A OG ASP 77.A O no hydrogen 2.557 N/A ILE 81.A N ASP 77.A O no hydrogen 3.004 N/A ARG 82.A N LYS 78.A O no hydrogen 2.898 N/A ARG 82.A NH1 GLU 123.A OE1 no hydrogen 2.934 N/A LYS 83.A N ASP 79.A O no hydrogen 2.921 N/A ALA 84.A N SER 80.A O no hydrogen 2.951 N/A VAL 85.A N ILE 81.A O no hydrogen 2.988 N/A SER 88.A OG THR 22.A OG1 no hydrogen 2.317 N/A SER 88.A OG HIS 87.A O no hydrogen 2.692 N/A ASN 89.A N VAL 20.A O no hydrogen 2.940 N/A ASN 89.A ND2 GLY 18.A O no hydrogen 3.323 N/A VAL 90.A N VAL 20.A O no hydrogen 2.977 N/A VAL 91.A N ARG 128.A O no hydrogen 2.935 N/A ILE 92.A N THR 22.A O no hydrogen 2.897 N/A ASN 93.A N ILE 130.A O no hydrogen 2.851 N/A ASN 93.A ND2 HIS 131.A ND1 no hydrogen 2.991 N/A ILE 95.A N ASN 93.A OD1 no hydrogen 3.145 N/A ARG 97.A NE GLY 96.A O no hydrogen 3.197 N/A THR 101.A N PHE 104.A O no hydrogen 2.869 N/A THR 101.A OG1 PHE 104.A O no hydrogen 2.950 N/A ASN 103.A N THR 101.A OG1 no hydrogen 3.214 N/A PHE 104.A N THR 101.A OG1 no hydrogen 2.806 N/A VAL 109.A N ASP 105.A O no hydrogen 2.933 N/A PHE 110.A N PHE 106.A O no hydrogen 2.905 N/A VAL 111.A N GLU 107.A O no hydrogen 2.885 N/A ASN 112.A N GLU 107.A O no hydrogen 3.409 N/A ILE 113.A N ASP 108.A O no hydrogen 2.992 N/A ARG 115.A N VAL 111.A O no hydrogen 2.936 N/A ARG 115.A NE GLU 155.A OE1 no hydrogen 3.376 N/A ARG 115.A NH1 ASN 112.A OD1 no hydrogen 3.368 N/A ARG 115.A NH2 ASN 112.A OD1 no hydrogen 3.231 N/A ALA 116.A N ASN 112.A O no hydrogen 2.887 N/A ILE 117.A N ILE 113.A O no hydrogen 2.919 N/A ALA 118.A N PRO 114.A O no hydrogen 2.904 N/A GLN 119.A N ARG 115.A O no hydrogen 2.856 N/A ALA 120.A N ALA 116.A O no hydrogen 2.930 N/A SER 121.A N ILE 117.A O no hydrogen 2.895 N/A SER 121.A OG ILE 117.A O no hydrogen 2.354 N/A LYS 122.A N ALA 118.A O no hydrogen 2.882 N/A LYS 122.A NZ GLU 162.A OE2 no hydrogen 2.769 N/A GLU 123.A N GLN 119.A O no hydrogen 2.933 N/A ALA 124.A N ALA 120.A O no hydrogen 2.882 N/A GLY 125.A N LYS 122.A O no hydrogen 3.237 N/A VAL 126.A N SER 121.A O no hydrogen 3.107 N/A ARG 128.A N ASN 89.A O no hydrogen 2.925 N/A ARG 128.A NH1 ALA 217.A O no hydrogen 2.983 N/A ARG 128.A NH1 ASP 220.A O no hydrogen 2.476 N/A ILE 130.A N VAL 91.A O no hydrogen 2.879 N/A HIS 131.A N ILE 164.A O no hydrogen 2.905 N/A VAL 132.A N ASN 93.A O no hydrogen 3.048 N/A SER 133.A N ILE 166.A O no hydrogen 2.854 N/A SER 133.A OG HIS 134.A O no hydrogen 3.541 N/A SER 133.A OG GLU 153.A OE2 no hydrogen 2.452 N/A HIS 134.A N SER 133.A OG no hydrogen 2.625 N/A LEU 135.A N PRO 168.A O no hydrogen 2.842 N/A SER 138.A OG MET 139.A O no hydrogen 3.171 N/A MET 139.A N SER 138.A OG no hydrogen 2.662 N/A LYS 144.A NZ GLU 100.A OE2 no hydrogen 3.385 N/A SER 145.A N ASP 282.A OD1 no hydrogen 3.269 N/A ARG 147.A N SER 143.A O no hydrogen 3.452 N/A ARG 147.A NE SER 141.A O no hydrogen 2.650 N/A ARG 147.A NH2 SER 142.A O no hydrogen 3.261 N/A SER 148.A N LYS 144.A O no hydrogen 2.927 N/A SER 148.A OG LYS 144.A O no hydrogen 2.803 N/A LYS 149.A N SER 145.A O no hydrogen 2.886 N/A ALA 150.A N LEU 146.A O no hydrogen 2.926 N/A VAL 151.A N ARG 147.A O no hydrogen 2.971 N/A GLY 152.A N SER 148.A O no hydrogen 2.873 N/A GLU 153.A N LYS 149.A O no hydrogen 2.872 N/A LYS 154.A N ALA 150.A O no hydrogen 3.027 N/A GLU 155.A N VAL 151.A O no hydrogen 2.913 N/A VAL 156.A N GLY 152.A O no hydrogen 2.898 N/A ARG 157.A N GLU 153.A O no hydrogen 2.943 N/A ARG 157.A NH2 GLY 225.A O no hydrogen 3.339 N/A ARG 157.A NH2 THR 227.A OG1 no hydrogen 2.875 N/A SER 158.A N LYS 154.A O no hydrogen 2.913 N/A SER 158.A OG LYS 154.A O no hydrogen 3.525 N/A SER 158.A OG GLU 155.A O no hydrogen 2.624 N/A VAL 159.A N GLU 155.A O no hydrogen 2.955 N/A PHE 160.A N VAL 156.A O no hydrogen 2.858 N/A ALA 163.A N PHE 160.A O no hydrogen 3.317 N/A ILE 164.A N PHE 129.A O no hydrogen 2.871 N/A ILE 165.A N LYS 226.A O no hydrogen 2.967 N/A ILE 166.A N HIS 131.A O no hydrogen 2.935 N/A ARG 167.A N PHE 228.A O no hydrogen 2.859 N/A ARG 167.A NH1 GLU 153.A OE1 no hydrogen 2.693 N/A ARG 167.A NH1 GLU 153.A OE2 no hydrogen 3.421 N/A SER 169.A N PHE 230.A O no hydrogen 2.890 N/A SER 169.A OG GLN 203.A O no hydrogen 2.984 N/A SER 169.A OG ASP 291.A OD2 no hydrogen 2.669 N/A ASP 170.A N SER 169.A OG no hydrogen 2.551 N/A PHE 172.A N VAL 205.A O no hydrogen 3.045 N/A ASP 176.A N GLY 173.A O no hydrogen 3.479 N/A PHE 178.A N ASP 176.A OD2 no hydrogen 3.108 N/A LEU 179.A N ASP 176.A OD2 no hydrogen 2.517 N/A ASN 180.A N ASP 176.A OD1 no hydrogen 3.318 N/A ASN 180.A ND2 ARG 174.A O no hydrogen 2.942 N/A ASN 180.A ND2 ASP 176.A O no hydrogen 2.907 N/A PHE 182.A N PHE 178.A O no hydrogen 3.007 N/A ALA 183.A N LEU 179.A O no hydrogen 2.881 N/A ASN 184.A N ASN 180.A O no hydrogen 2.855 N/A TYR 185.A N HIS 181.A O no hydrogen 3.018 N/A TYR 185.A OH TYR 263.A OH no hydrogen 2.258 N/A ARG 186.A N ALA 183.A O no hydrogen 3.151 N/A ARG 186.A NH1 ALA 183.A O no hydrogen 3.091 N/A ARG 186.A NH1 ASN 184.A OD1 no hydrogen 3.564 N/A TRP 187.A N ASN 184.A O no hydrogen 3.330 N/A PHE 188.A N TYR 185.A O no hydrogen 3.287 N/A VAL 191.A N ILE 254.A O no hydrogen 2.884 N/A LEU 193.A N VAL 191.A O no hydrogen 2.976 N/A SER 195.A OG VAL 194.A O no hydrogen 2.558 N/A SER 195.A OG PHE 198.A O no hydrogen 3.097 N/A GLY 197.A N VAL 194.A O no hydrogen 3.129 N/A PHE 198.A N SER 195.A O no hydrogen 3.183 N/A THR 200.A OG1 PHE 198.A O no hydrogen 3.427 N/A THR 200.A OG1 LYS 199.A O no hydrogen 2.803 N/A LYS 202.A N TYR 236.A O no hydrogen 2.723 N/A LYS 202.A NZ ASP 170.A OD2 no hydrogen 2.588 N/A LYS 202.A NZ ARG 286.A O no hydrogen 3.495 N/A LYS 202.A NZ ILE 289.A O no hydrogen 3.499 N/A GLN 203.A N ASP 291.A OD2 no hydrogen 3.294 N/A VAL 205.A N ASP 170.A O no hydrogen 3.409 N/A TYR 206.A OH GLU 316.A OE2 no hydrogen 2.435 N/A VAL 207.A N PHE 172.A O no hydrogen 3.177 N/A VAL 210.A N TYR 206.A O no hydrogen 2.968 N/A SER 211.A N VAL 207.A O no hydrogen 2.912 N/A SER 211.A OG VAL 207.A O no hydrogen 3.008 N/A LYS 212.A N ALA 208.A O no hydrogen 2.884 N/A LYS 212.A NZ HIS 37.A NE2 no hydrogen 3.216 N/A GLY 213.A N ASP 209.A O no hydrogen 2.926 N/A ILE 214.A N VAL 210.A O no hydrogen 2.902 N/A VAL 215.A N SER 211.A O no hydrogen 2.954 N/A ASN 216.A N LYS 212.A O no hydrogen 2.894 N/A ALA 217.A N GLY 213.A O no hydrogen 2.856 N/A THR 218.A N ILE 214.A O no hydrogen 2.949 N/A THR 218.A OG1 VAL 215.A O no hydrogen 2.269 N/A LYS 219.A N VAL 215.A O no hydrogen 3.040 N/A ASP 222.A N ASP 220.A OD1 no hydrogen 2.867 N/A LYS 226.A N ALA 223.A O no hydrogen 3.420 N/A LYS 226.A NZ ASP 222.A O no hydrogen 2.593 N/A PHE 228.A N ILE 165.A O no hydrogen 2.882 N/A ALA 229.A N PRO 298.A O no hydrogen 2.710 N/A PHE 230.A N ARG 167.A O no hydrogen 2.885 N/A GLY 232.A N GLN 203.A O no hydrogen 3.444 N/A ASN 234.A ND2 TYR 236.A OH no hydrogen 3.215 N/A ASN 234.A ND2 GLU 311.A OE1 no hydrogen 3.482 N/A ARG 235.A NH1 ASP 291.A O no hydrogen 3.497 N/A ARG 235.A NH1 VAL 292.A O no hydrogen 3.272 N/A ARG 235.A NH2 ASP 291.A O no hydrogen 2.743 N/A TYR 236.A N LYS 202.A O no hydrogen 2.654 N/A TYR 236.A OH GLU 311.A OE1 no hydrogen 2.771 N/A TYR 236.A OH GLU 311.A OE2 no hydrogen 2.805 N/A LEU 238.A N THR 200.A O no hydrogen 2.788 N/A PHE 239.A N GLY 197.A O no hydrogen 2.788 N/A LEU 241.A N LEU 237.A O no hydrogen 2.892 N/A VAL 242.A N LEU 238.A O no hydrogen 2.938 N/A LYS 243.A N PHE 239.A O no hydrogen 2.882 N/A TYR 244.A N HIS 240.A O no hydrogen 2.882 N/A ILE 245.A N LEU 241.A O no hydrogen 2.922 N/A PHE 246.A N VAL 242.A O no hydrogen 2.938 N/A GLY 247.A N LYS 243.A O no hydrogen 2.867 N/A MET 248.A N TYR 244.A O no hydrogen 2.883 N/A THR 249.A N ILE 245.A O no hydrogen 2.939 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.622 N/A HIS 250.A N GLY 247.A O no hydrogen 3.154 N/A ARG 251.A N PHE 246.A O no hydrogen 3.343 N/A TYR 256.A N VAL 191.A O no hydrogen 2.887 N/A LEU 258.A N LEU 193.A O no hydrogen 2.894 N/A TYR 263.A N PRO 259.A O no hydrogen 2.954 N/A SER 264.A N LEU 260.A O no hydrogen 2.843 N/A SER 264.A OG LEU 260.A O no hydrogen 2.965 N/A TRP 265.A N PHE 261.A O no hydrogen 2.941 N/A ILE 266.A N VAL 262.A O no hydrogen 2.947 N/A GLY 267.A N TYR 263.A O no hydrogen 2.898 N/A LYS 268.A N SER 264.A O no hydrogen 2.865 N/A LEU 269.A N TRP 265.A O no hydrogen 2.935 N/A PHE 270.A N ILE 266.A O no hydrogen 2.927 N/A GLY 271.A N GLY 267.A O no hydrogen 2.851 N/A LEU 272.A N LYS 268.A O no hydrogen 2.973 N/A THR 279.A OG1 THR 280.A O no hydrogen 3.474 N/A THR 280.A OG1 GLU 98.A O no hydrogen 3.462 N/A LYS 281.A NZ GLU 285.A OE1 no hydrogen 3.525 N/A LYS 283.A N THR 280.A OG1 no hydrogen 3.144 N/A LYS 283.A NZ GLU 98.A OE1 no hydrogen 3.096 N/A LYS 283.A NZ GLU 98.A OE2 no hydrogen 3.389 N/A LYS 283.A NZ ARG 177.A O no hydrogen 2.792 N/A VAL 284.A N THR 280.A O no hydrogen 2.945 N/A GLU 285.A N LYS 281.A O no hydrogen 2.967 N/A ARG 286.A N ASP 282.A O no hydrogen 2.905 N/A ARG 286.A NH1 ASP 282.A OD2 no hydrogen 2.455 N/A ILE 287.A N LYS 283.A O no hydrogen 2.909 N/A HIS 288.A N VAL 284.A O no hydrogen 2.986 N/A ASP 291.A N VAL 201.A O no hydrogen 2.713 N/A THR 295.A OG1 ASP 296.A OD1 no hydrogen 3.436 N/A ASP 296.A N ASP 296.A OD1 no hydrogen 2.512 N/A GLU 301.A N GLU 301.A OE1 no hydrogen 2.704 N/A LEU 303.A N GLY 299.A O no hydrogen 2.962 N/A GLY 304.A N GLU 301.A O no hydrogen 3.091 N/A VAL 305.A N LEU 300.A O no hydrogen 2.575 N/A THR 308.A N ASP 209.A OD2 no hydrogen 2.566 N/A THR 308.A OG1 ASP 209.A OD1 no hydrogen 3.552 N/A THR 308.A OG1 ASP 209.A OD2 no hydrogen 2.978 N/A LEU 312.A N PRO 309.A O no hydrogen 3.002 N/A LYS 313.A N PRO 309.A O no hydrogen 3.023 N/A VAL 317.A N SER 314.A O no hydrogen 3.182 N/A LEU 318.A N SER 314.A O no hydrogen 3.241 N/A ARG 319.A NH1 LEU 327.A O no hydrogen 3.008 N/A HIS 321.A N LEU 318.A O no hydrogen 3.336 N/A HIS 321.A NE2 ASN 180.A OD1 no hydrogen 2.975 N/A ARG 322.A N ARG 319.A O no hydrogen 3.398 N/A ARG 322.A NE MET 248.A O no hydrogen 2.773 N/A ARG 322.A NH1 LEU 327.A O no hydrogen 3.438 N/A ARG 322.A NH1 SER 329.A O no hydrogen 2.936 N/A ARG 322.A NH2 MET 248.A O no hydrogen 2.994 N/A ARG 325.A NH1 ARG 325.A O no hydrogen 2.384 N/A LEU 327.A N TYR 324.A O no hydrogen 3.470 N/A SER 329.A OG TRP 326.A O no hydrogen 2.772 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.711 N/A THR 334.A N ILE 331.A O no hydrogen 3.270 N/A THR 334.A OG1 GLY 247.A O no hydrogen 3.487 N/A LYS 338.A NZ HIS 240.A NE2 no hydrogen 3.103 N/A VAL 340.A N ARG 235.A O no hydrogen 2.892 N/A