Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3roc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 PRO 88.A O no hydrogen 2.832 N/A TYR 5.A N VAL 16.A O no hydrogen 3.002 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.787 N/A GLN 7.A N TRP 14.A O no hydrogen 3.023 N/A LEU 9.A N THR 12.A O no hydrogen 2.932 N/A THR 12.A N LEU 9.A O no hydrogen 3.119 N/A THR 12.A OG1 ASN 10.A O no hydrogen 3.424 N/A TRP 14.A N GLN 7.A O no hydrogen 2.878 N/A GLU 15.A N TYR 99.A OH no hydrogen 2.908 N/A VAL 16.A N TYR 5.A O no hydrogen 3.205 N/A GLU 18.A N THR 3.A O no hydrogen 2.850 N/A ARG 19.A NH1 ASP 39.A OD1 no hydrogen 2.948 N/A TYR 20.A N PRO 17.A O no hydrogen 3.053 N/A TYR 20.A OH ASP 84.A OD2 no hydrogen 2.758 N/A GLN 21.A N PHE 38.A O no hydrogen 2.865 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 3.088 N/A SER 24.A N ALA 36.A O no hydrogen 2.784 N/A VAL 26.A N VAL 34.A O no hydrogen 2.968 N/A GLY 29.A N GLY 32.A O no hydrogen 3.009 N/A SER 33.A N LYS 50.A O no hydrogen 3.194 N/A VAL 34.A N GLY 27.A O no hydrogen 3.183 N/A CYS 35.A N VAL 48.A O no hydrogen 2.899 N/A ALA 36.A N SER 24.A O no hydrogen 2.725 N/A ALA 37.A N VAL 46.A O no hydrogen 2.871 N/A PHE 38.A N GLN 21.A O no hydrogen 2.837 N/A ASP 39.A N LEU 44.A O no hydrogen 2.877 N/A THR 40.A N ARG 19.A O no hydrogen 2.893 N/A THR 40.A OG1 ARG 19.A O no hydrogen 2.906 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 3.096 N/A THR 42.A N ASP 39.A O no hydrogen 3.293 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 2.820 N/A GLY 43.A N ASP 39.A O no hydrogen 2.691 N/A LEU 44.A N THR 42.A OG1 no hydrogen 3.287 N/A VAL 46.A N ALA 37.A O no hydrogen 2.845 N/A ALA 47.A N THR 102.A O no hydrogen 2.771 N/A VAL 48.A N CYS 35.A O no hydrogen 2.782 N/A LYS 49.A N LEU 100.A O no hydrogen 2.817 N/A LYS 49.A NZ ALA 30.A O no hydrogen 3.369 N/A LYS 49.A NZ TYR 31.A O no hydrogen 3.410 N/A LYS 50.A N SER 33.A O no hydrogen 2.926 N/A LYS 50.A NZ ILE 13.A O no hydrogen 2.837 N/A LEU 51.A N VAL 98.A O no hydrogen 3.022 N/A SER 52.A N TYR 31.A O no hydrogen 3.535 N/A GLN 56.A N ARG 53.A O no hydrogen 3.176 N/A HIS 60.A N SER 57.A OG no hydrogen 3.231 N/A ALA 61.A N SER 57.A O no hydrogen 2.869 N/A LYS 62.A N ILE 58.A O no hydrogen 2.928 N/A LYS 62.A NZ GLU 313.A O no hydrogen 2.708 N/A LYS 62.A NZ ARG 315.A O no hydrogen 3.097 N/A ARG 63.A N ILE 59.A O no hydrogen 2.907 N/A THR 64.A N HIS 60.A O no hydrogen 2.814 N/A THR 64.A OG1 PRO 54.A O no hydrogen 2.959 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.946 N/A TYR 65.A N ALA 61.A O no hydrogen 3.181 N/A ARG 66.A N LYS 62.A O no hydrogen 2.861 N/A ARG 66.A NE GLU 313.A OE1 no hydrogen 2.785 N/A ARG 66.A NE GLU 313.A OE2 no hydrogen 3.432 N/A ARG 66.A NH2 GLU 313.A OE2 no hydrogen 2.872 N/A GLU 67.A N ARG 63.A O no hydrogen 2.871 N/A LEU 68.A N THR 64.A O no hydrogen 3.019 N/A ARG 69.A N TYR 65.A O no hydrogen 2.856 N/A ARG 69.A NH1 TYR 65.A OH no hydrogen 3.149 N/A ARG 69.A NH2 ASP 309.A O no hydrogen 2.990 N/A LEU 70.A N ARG 66.A O no hydrogen 2.941 N/A LEU 71.A N GLU 67.A O no hydrogen 2.882 N/A LYS 72.A N LEU 68.A O no hydrogen 2.922 N/A LYS 72.A NZ GLU 329.A O no hydrogen 2.974 N/A LYS 72.A NZ GLU 329.A OE1 no hydrogen 2.745 N/A HIS 73.A N ARG 69.A O no hydrogen 3.183 N/A HIS 73.A N LEU 70.A O no hydrogen 3.110 N/A HIS 73.A NE2 PRO 307.A O no hydrogen 3.144 N/A MET 74.A N LEU 70.A O no hydrogen 3.077 N/A LYS 75.A N TYR 136.A OH no hydrogen 2.973 N/A GLU 77.A N GLU 77.A OE2 no hydrogen 2.805 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 3.045 N/A VAL 79.A N HIS 76.A O no hydrogen 3.112 N/A ILE 80.A N ILE 162.A O no hydrogen 3.043 N/A LEU 83.A N VAL 101.A O no hydrogen 2.873 N/A PHE 86.A N TYR 99.A O no hydrogen 2.971 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.795 N/A ALA 89.A N THR 87.A OG1 no hydrogen 3.253 N/A ARG 90.A N GLU 94.A OE1 no hydrogen 3.055 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.904 N/A GLU 94.A N SER 91.A O no hydrogen 3.244 N/A GLU 94.A N SER 91.A OG no hydrogen 3.285 N/A PHE 95.A N LEU 92.A O no hydrogen 2.979 N/A TYR 99.A N PHE 86.A O no hydrogen 2.929 N/A LEU 100.A N LYS 49.A O no hydrogen 2.870 N/A VAL 101.A N ASP 84.A O no hydrogen 2.866 N/A THR 102.A N ALA 47.A O no hydrogen 2.990 N/A THR 102.A OG1 GLY 81.A O no hydrogen 2.816 N/A LEU 104.A N ARG 45.A O no hydrogen 3.047 N/A ASP 108.A N ASN 111.A OD1 no hydrogen 3.282 N/A LEU 109.A N PRO 149.A O no hydrogen 3.196 N/A LEU 109.A N LEU 152.A O no hydrogen 2.910 N/A ASN 111.A N ASP 108.A O no hydrogen 2.999 N/A ASN 111.A N ASP 108.A OD1 no hydrogen 2.920 N/A ILE 112.A N LEU 109.A O no hydrogen 3.065 N/A VAL 113.A N ASN 110.A O no hydrogen 3.187 N/A LYS 114.A N ASN 110.A O no hydrogen 3.165 N/A GLN 116.A N VAL 113.A O no hydrogen 2.998 N/A LYS 117.A NZ LEU 202.A O no hydrogen 2.916 N/A THR 119.A N HIS 122.A ND1 no hydrogen 3.402 N/A THR 119.A OG1 HIS 122.A ND1 no hydrogen 3.156 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.100 N/A VAL 123.A N THR 119.A O no hydrogen 2.971 N/A GLN 124.A N ASP 120.A O no hydrogen 2.934 N/A GLN 124.A NE2 GLN 295.A OE1 no hydrogen 2.831 N/A PHE 125.A N ASP 121.A O no hydrogen 3.309 N/A LEU 126.A N HIS 122.A O no hydrogen 2.952 N/A ILE 127.A N VAL 123.A O no hydrogen 2.945 N/A TYR 128.A N GLN 124.A O no hydrogen 2.893 N/A TYR 128.A OH GLU 302.A OE2 no hydrogen 2.658 N/A GLN 129.A N PHE 125.A O no hydrogen 3.004 N/A GLN 129.A NE2 PHE 125.A O no hydrogen 3.244 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 2.969 N/A ILE 130.A N LEU 126.A O no hydrogen 3.046 N/A LEU 131.A N ILE 127.A O no hydrogen 2.939 N/A ARG 132.A N TYR 128.A O no hydrogen 2.882 N/A ARG 132.A NE ASP 301.A O no hydrogen 2.831 N/A ARG 132.A NH1 GLU 77.A OE1 no hydrogen 3.048 N/A ARG 132.A NH1 ASP 301.A O no hydrogen 2.980 N/A ARG 132.A NH2 ASN 78.A OD1 no hydrogen 2.965 N/A GLY 133.A N GLN 129.A O no hydrogen 3.028 N/A LEU 134.A N ILE 130.A O no hydrogen 2.784 N/A LYS 135.A N LEU 131.A O no hydrogen 2.842 N/A LYS 135.A NZ GLU 302.A O no hydrogen 2.995 N/A TYR 136.A N ARG 132.A O no hydrogen 3.355 N/A ILE 137.A N GLY 133.A O no hydrogen 2.984 N/A HIS 138.A N LEU 134.A O no hydrogen 2.769 N/A HIS 138.A NE2 ASP 190.A OD1 no hydrogen 2.856 N/A SER 139.A N LYS 135.A O no hydrogen 3.044 N/A SER 139.A OG LYS 135.A O no hydrogen 3.482 N/A SER 139.A OG TYR 136.A O no hydrogen 2.570 N/A ALA 140.A N ILE 137.A O no hydrogen 2.977 N/A ASP 141.A N HIS 138.A O no hydrogen 2.961 N/A ILE 142.A N ILE 137.A O no hydrogen 3.431 N/A HIS 144.A N ASP 190.A OD1 no hydrogen 2.799 N/A HIS 144.A NE2 LEU 163.A O no hydrogen 2.994 N/A ARG 145.A N ASP 190.A OD2 no hydrogen 2.879 N/A ARG 145.A NE TYR 185.A OH no hydrogen 2.771 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 2.930 N/A LYS 148.A NZ ASP 146.A OD2 no hydrogen 3.142 N/A ASN 151.A N LYS 148.A O no hydrogen 2.918 N/A LEU 152.A N PRO 149.A O no hydrogen 3.107 N/A ALA 153.A N LYS 161.A O no hydrogen 2.963 N/A VAL 154.A N ALA 107.A O no hydrogen 2.893 N/A ASN 155.A N GLU 159.A O no hydrogen 2.973 N/A ASN 155.A ND2 GLU 159.A OE2 no hydrogen 3.012 N/A ASP 157.A N ASN 155.A OD1 no hydrogen 2.933 N/A CYS 158.A N ASN 155.A O no hydrogen 3.006 N/A GLU 159.A N ASN 155.A OD1 no hydrogen 3.007 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.860 N/A LYS 161.A N ALA 153.A O no hydrogen 2.871 N/A ILE 162.A N ASN 78.A O no hydrogen 2.838 N/A LEU 163.A N ASN 151.A O no hydrogen 3.001 N/A ARG 171.A NH1 HIS 213.A NE2 no hydrogen 3.503 N/A TRP 172.A N ALA 169.A O no hydrogen 3.409 N/A TYR 173.A N THR 170.A O no hydrogen 3.438 N/A TYR 173.A OH GLU 200.A OE1 no hydrogen 2.712 N/A ARG 174.A N ARG 171.A O no hydrogen 3.160 N/A ARG 174.A NE ARG 145.A O no hydrogen 3.148 N/A ARG 174.A NH1 ARG 145.A O no hydrogen 2.861 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.684 N/A ILE 178.A N ALA 175.A O no hydrogen 3.078 N/A MET 179.A N ALA 175.A O no hydrogen 3.342 N/A LEU 180.A N PRO 176.A O no hydrogen 2.992 N/A ASN 181.A N ILE 178.A O no hydrogen 2.918 N/A TRP 182.A N GLU 177.A O no hydrogen 2.999 N/A ASN 186.A ND2 SER 278.A OG no hydrogen 3.178 N/A GLN 187.A NE2 HIS 138.A O no hydrogen 3.008 N/A THR 188.A N ASN 186.A OD1 no hydrogen 2.850 N/A THR 188.A OG1 ASN 186.A OD1 no hydrogen 2.468 N/A THR 188.A OG1 SER 278.A O no hydrogen 3.225 N/A VAL 189.A N ASN 186.A O no hydrogen 3.206 N/A ASP 190.A N GLN 187.A O no hydrogen 2.956 N/A TRP 192.A N THR 188.A O no hydrogen 2.993 N/A SER 193.A N VAL 189.A O no hydrogen 3.354 N/A SER 193.A OG TYR 173.A O no hydrogen 2.746 N/A SER 193.A OG VAL 189.A O no hydrogen 3.233 N/A VAL 194.A N ASP 190.A O no hydrogen 3.012 N/A GLY 195.A N ILE 191.A O no hydrogen 2.913 N/A CYS 196.A N TRP 192.A O no hydrogen 3.006 N/A CYS 196.A SG TRP 172.A O no hydrogen 4.027 N/A CYS 196.A SG TRP 192.A O no hydrogen 3.539 N/A ILE 197.A N SER 193.A O no hydrogen 2.904 N/A MET 198.A N VAL 194.A O no hydrogen 2.738 N/A ALA 199.A N GLY 195.A O no hydrogen 3.006 N/A GLU 200.A N CYS 196.A O no hydrogen 3.123 N/A LEU 201.A N ILE 197.A O no hydrogen 2.955 N/A LEU 202.A N MET 198.A O no hydrogen 3.037 N/A LEU 202.A N ALA 199.A O no hydrogen 3.244 N/A THR 203.A N ALA 199.A O no hydrogen 2.934 N/A THR 203.A OG1 ALA 199.A O no hydrogen 3.123 N/A GLY 204.A N GLU 200.A O no hydrogen 2.839 N/A ARG 205.A N THR 203.A OG1 no hydrogen 3.165 N/A GLY 210.A N PHE 208.A O no hydrogen 3.072 N/A GLY 210.A N GLN 216.A OE1 no hydrogen 2.945 N/A THR 211.A N ASP 215.A OD2 no hydrogen 2.822 N/A THR 211.A OG1 ASP 212.A OD1 no hydrogen 3.437 N/A ASP 215.A N ASP 212.A OD2 no hydrogen 2.883 N/A GLN 216.A N ASP 212.A O no hydrogen 2.856 N/A GLN 216.A NE2 TRP 172.A O no hydrogen 3.445 N/A GLN 216.A NE2 PHE 208.A O no hydrogen 3.046 N/A LEU 217.A N HIS 213.A O no hydrogen 3.154 N/A LYS 218.A N ILE 214.A O no hydrogen 3.067 N/A LEU 219.A N ASP 215.A O no hydrogen 2.976 N/A ILE 220.A N GLN 216.A O no hydrogen 3.026 N/A LEU 221.A N LEU 217.A O no hydrogen 2.954 N/A ARG 222.A N LYS 218.A O no hydrogen 3.125 N/A LEU 223.A N ILE 220.A O no hydrogen 3.139 N/A VAL 224.A N ILE 220.A O no hydrogen 3.073 N/A THR 226.A N MET 250.A O no hydrogen 2.920 N/A THR 226.A OG1 MET 250.A O no hydrogen 3.343 N/A LEU 232.A N GLY 228.A O no hydrogen 2.962 N/A LYS 233.A N ALA 229.A O no hydrogen 3.125 N/A LYS 234.A N LEU 231.A O no hydrogen 2.932 N/A LYS 234.A NZ ASP 277.A OD1 no hydrogen 3.354 N/A LYS 234.A NZ ASP 277.A OD2 no hydrogen 2.777 N/A LYS 234.A NZ ASP 279.A OD2 no hydrogen 2.968 N/A ILE 235.A N LEU 232.A O no hydrogen 3.165 N/A SER 239.A OG SER 237.A OG no hydrogen 2.945 N/A ALA 240.A N SER 237.A OG no hydrogen 2.915 N/A ARG 241.A N SER 237.A O no hydrogen 3.021 N/A ARG 241.A NE ILE 235.A O no hydrogen 2.799 N/A ARG 241.A NH1 SER 236.A O no hydrogen 3.062 N/A ARG 241.A NH1 GLU 238.A OE2 no hydrogen 3.034 N/A ARG 241.A NH2 GLU 238.A OE1 no hydrogen 3.371 N/A ARG 241.A NH2 GLU 238.A OE2 no hydrogen 3.118 N/A ASN 242.A N GLU 238.A O no hydrogen 2.936 N/A TYR 243.A N SER 239.A O no hydrogen 3.103 N/A ILE 244.A N ALA 240.A O no hydrogen 2.936 N/A GLN 245.A N ARG 241.A O no hydrogen 2.830 N/A SER 246.A N ASN 242.A O no hydrogen 3.058 N/A SER 246.A N TYR 243.A O no hydrogen 3.256 N/A SER 246.A OG ASN 242.A O no hydrogen 2.544 N/A LEU 247.A N ILE 244.A O no hydrogen 3.173 N/A MET 250.A N THR 226.A OG1 no hydrogen 3.046 N/A LYS 252.A NZ MET 253.A O no hydrogen 3.160 N/A MET 253.A N LEU 223.A O no hydrogen 2.881 N/A ALA 256.A N ASN 254.A OD1 no hydrogen 3.124 N/A PHE 259.A N PHE 255.A O no hydrogen 2.825 N/A ILE 260.A N ASN 257.A O no hydrogen 3.373 N/A ALA 262.A N PHE 259.A O no hydrogen 2.975 N/A ASN 263.A ND2 ASP 120.A OD2 no hydrogen 3.011 N/A LEU 265.A N ASN 263.A OD1 no hydrogen 2.903 N/A ALA 266.A N ASN 263.A O no hydrogen 2.816 N/A VAL 267.A N ASN 263.A O no hydrogen 3.083 N/A ASP 268.A N PRO 264.A O no hydrogen 3.005 N/A LEU 269.A N LEU 265.A O no hydrogen 3.105 N/A LEU 270.A N ALA 266.A O no hydrogen 2.935 N/A GLU 271.A N VAL 267.A O no hydrogen 2.947 N/A LYS 272.A N ASP 268.A O no hydrogen 3.254 N/A LYS 272.A NZ ASP 268.A OD1 no hydrogen 3.417 N/A LYS 272.A NZ ASP 268.A OD2 no hydrogen 2.986 N/A MET 273.A N LEU 269.A O no hydrogen 2.971 N/A LEU 274.A N LEU 270.A O no hydrogen 2.977 N/A ASP 279.A N ASP 277.A OD1 no hydrogen 2.986 N/A LYS 280.A N ASP 277.A O no hydrogen 2.981 N/A ARG 281.A N SER 278.A O no hydrogen 3.385 N/A ARG 281.A NE VAL 275.A O no hydrogen 2.936 N/A ARG 281.A NH1 GLU 177.A OE1 no hydrogen 2.832 N/A ARG 281.A NH1 GLU 177.A OE2 no hydrogen 3.307 N/A ARG 281.A NH1 LEU 276.A O no hydrogen 2.858 N/A ARG 281.A NH2 GLU 177.A OE2 no hydrogen 2.730 N/A ARG 281.A NH2 THR 188.A O no hydrogen 3.234 N/A ILE 282.A N LYS 272.A O no hydrogen 3.095 N/A THR 283.A N GLN 286.A OE1 no hydrogen 2.980 N/A GLN 286.A N THR 283.A OG1 no hydrogen 3.101 N/A ALA 287.A N THR 283.A O no hydrogen 2.918 N/A LEU 288.A N ALA 284.A O no hydrogen 3.080 N/A ALA 289.A N GLN 286.A O no hydrogen 3.140 N/A HIS 290.A N ALA 287.A O no hydrogen 2.995 N/A HIS 290.A NE2 ASP 268.A OD2 no hydrogen 2.785 N/A TYR 292.A N HIS 290.A ND1 no hydrogen 2.989 N/A TYR 292.A OH ASP 120.A OD1 no hydrogen 2.957 N/A PHE 293.A N HIS 290.A O no hydrogen 3.038 N/A ALA 294.A N ALA 291.A O no hydrogen 3.146 N/A TYR 296.A N PHE 293.A O no hydrogen 2.978 N/A HIS 297.A N PHE 293.A O no hydrogen 2.829 N/A HIS 297.A ND1 GLU 302.A OE2 no hydrogen 2.865 N/A ASP 298.A N GLU 302.A OE2 no hydrogen 3.042 N/A ASP 300.A N ASP 298.A OD1 no hydrogen 3.050 N/A ASP 301.A N ASP 298.A O no hydrogen 2.911 N/A ALA 305.A N SER 139.A OG no hydrogen 2.829 N/A SER 311.A N ASP 309.A OD1 no hydrogen 2.993 N/A SER 311.A OG ASP 309.A OD1 no hydrogen 2.653 N/A SER 311.A OG ASP 309.A OD2 no hydrogen 3.525 N/A GLU 313.A N GLN 310.A O no hydrogen 2.935 N/A SER 314.A N SER 311.A O no hydrogen 3.037 N/A SER 314.A OG SER 311.A O no hydrogen 2.980 N/A ARG 315.A N PHE 312.A O no hydrogen 2.968 N/A ARG 315.A NH2 SER 311.A OG no hydrogen 2.988 N/A LEU 318.A N GLU 321.A OE1 no hydrogen 2.998 N/A GLU 321.A N LEU 318.A O no hydrogen 2.948 N/A TRP 322.A N LEU 318.A O no hydrogen 3.079 N/A LYS 323.A N ILE 319.A O no hydrogen 2.886 N/A LYS 323.A NZ PHE 95.A O no hydrogen 2.844 N/A SER 324.A N ASP 320.A O no hydrogen 2.963 N/A LEU 325.A N GLU 321.A O no hydrogen 3.050 N/A THR 326.A N TRP 322.A O no hydrogen 3.008 N/A THR 326.A OG1 TRP 322.A O no hydrogen 2.793 N/A TYR 327.A N LYS 323.A O no hydrogen 2.893 N/A ASP 328.A N SER 324.A O no hydrogen 2.946 N/A GLU 329.A N LEU 325.A O no hydrogen 3.116 N/A VAL 330.A N THR 326.A O no hydrogen 2.943 N/A ILE 331.A N TYR 327.A O no hydrogen 3.015 N/A SER 332.A N ASP 328.A O no hydrogen 3.040 N/A SER 332.A OG ASP 328.A O no hydrogen 3.162 N/A SER 332.A OG GLU 329.A O no hydrogen 3.439 N/A PHE 333.A N VAL 330.A O no hydrogen 3.482 N/A