Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2va2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N SER 112.A OG no hydrogen 2.815 N/A VAL 3.A N SER 145.A O no hydrogen 2.923 N/A LEU 4.A N LEU 109.A O no hydrogen 2.765 N/A PHE 5.A N GLY 143.A O no hydrogen 3.047 N/A VAL 6.A N ALA 107.A O no hydrogen 2.881 N/A ASP 7.A N THR 141.A O no hydrogen 3.002 N/A PHE 8.A N ASP 105.A O no hydrogen 3.169 N/A ASP 9.A N THR 139.A O no hydrogen 3.311 N/A GLN 14.A N TYR 10.A O no hydrogen 2.969 N/A VAL 15.A N PHE 11.A O no hydrogen 2.843 N/A GLU 16.A N TYR 12.A O no hydrogen 3.179 N/A GLU 17.A N ALA 13.A O no hydrogen 3.164 N/A VAL 18.A N GLN 14.A O no hydrogen 2.895 N/A LEU 19.A N VAL 15.A O no hydrogen 3.102 N/A ASN 20.A N GLU 17.A O no hydrogen 2.903 N/A SER 22.A OG ASN 20.A OD1 no hydrogen 2.475 N/A LEU 23.A N ASN 20.A O no hydrogen 2.908 N/A LYS 24.A N PRO 21.A O no hydrogen 2.728 N/A LYS 24.A NZ GLU 17.A OE1 no hydrogen 3.542 N/A LYS 26.A N LEU 23.A O no hydrogen 3.090 N/A VAL 28.A N ASN 47.A OD1 no hydrogen 2.918 N/A VAL 29.A N VAL 72.A O no hydrogen 2.839 N/A VAL 30.A N THR 45.A O no hydrogen 2.610 N/A CYS 31.A N LEU 74.A O no hydrogen 2.985 N/A CYS 31.A SG VAL 29.A O no hydrogen 3.516 N/A VAL 32.A N ALA 42.A O no hydrogen 2.735 N/A SER 34.A N SER 40.A O no hydrogen 3.166 N/A SER 34.A OG SER 40.A OG no hydrogen 2.861 N/A ARG 36.A N SER 34.A OG no hydrogen 3.412 N/A ARG 36.A NH1 MET 251.A O no hydrogen 2.694 N/A ARG 36.A NH1 ASN 254.A OD1 no hydrogen 3.434 N/A ARG 36.A NH2 ASN 254.A OD1 no hydrogen 3.049 N/A PHE 37.A N SER 40.A OG no hydrogen 2.819 N/A SER 40.A OG SER 34.A OG no hydrogen 2.861 N/A SER 40.A OG PHE 37.A O no hydrogen 3.029 N/A ALA 42.A N VAL 32.A O no hydrogen 3.019 N/A VAL 43.A N ILE 59.A O no hydrogen 3.004 N/A ALA 44.A N VAL 30.A O no hydrogen 2.807 N/A THR 45.A N VAL 30.A O no hydrogen 2.958 N/A THR 45.A OG1 ALA 44.A O no hydrogen 2.636 N/A ASN 47.A N VAL 28.A O no hydrogen 3.032 N/A ASN 47.A ND2 GLU 17.A OE2 no hydrogen 3.296 N/A ASN 47.A ND2 LYS 26.A O no hydrogen 2.924 N/A ALA 50.A N ASN 47.A O no hydrogen 3.080 N/A ALA 50.A N ASN 47.A OD1 no hydrogen 3.205 N/A ARG 51.A N ASN 47.A O no hydrogen 3.071 N/A LYS 52.A N TYR 48.A O no hydrogen 2.880 N/A LYS 52.A NZ GLU 49.A OE1 no hydrogen 3.079 N/A LYS 52.A NZ GLU 49.A OE2 no hydrogen 3.406 N/A PHE 53.A N ALA 50.A O no hydrogen 3.068 N/A GLY 54.A N ARG 51.A O no hydrogen 2.899 N/A VAL 55.A N ALA 50.A O no hydrogen 3.227 N/A GLY 58.A N VAL 43.A O no hydrogen 2.788 N/A ILE 59.A N LYS 56.A O no hydrogen 3.377 N/A ILE 61.A N GLY 41.A O no hydrogen 3.297 N/A ALA 64.A N PRO 60.A O no hydrogen 2.964 N/A LYS 65.A N ILE 61.A O no hydrogen 2.807 N/A LYS 65.A NZ ASP 39.A OD1 no hydrogen 3.177 N/A LYS 65.A NZ ASP 39.A OD2 no hydrogen 3.098 N/A LYS 66.A N VAL 62.A O no hydrogen 3.049 N/A LYS 66.A N GLU 63.A O no hydrogen 2.944 N/A ILE 67.A N GLU 63.A O no hydrogen 3.160 N/A ILE 67.A N ALA 64.A O no hydrogen 3.325 N/A LEU 68.A N ALA 64.A O no hydrogen 2.854 N/A ALA 71.A N LEU 68.A O no hydrogen 3.116 N/A VAL 72.A N PRO 27.A O no hydrogen 3.129 N/A TYR 73.A OH LEU 68.A O no hydrogen 2.771 N/A LEU 74.A N VAL 29.A O no hydrogen 3.118 N/A MET 76.A N CYS 31.A O no hydrogen 2.985 N/A ARG 77.A N TYR 81.A OH no hydrogen 3.027 N/A ARG 77.A NE GLU 16.A OE2 no hydrogen 3.180 N/A ARG 77.A NH2 GLU 16.A OE1 no hydrogen 2.593 N/A ARG 77.A NH2 GLU 16.A OE2 no hydrogen 3.478 N/A LYS 78.A NZ TYR 12.A OH no hydrogen 3.283 N/A VAL 80.A N ARG 77.A O no hydrogen 2.961 N/A TYR 81.A N ARG 77.A O no hydrogen 3.348 N/A TYR 81.A OH GLU 16.A OE2 no hydrogen 2.442 N/A GLN 82.A N LYS 78.A O no hydrogen 2.781 N/A GLN 83.A N GLU 79.A O no hydrogen 3.172 N/A VAL 84.A N VAL 80.A O no hydrogen 3.106 N/A SER 85.A N TYR 81.A O no hydrogen 2.934 N/A SER 85.A OG ILE 104.A O no hydrogen 2.417 N/A SER 86.A N GLN 82.A O no hydrogen 2.978 N/A SER 86.A OG GLN 82.A O no hydrogen 3.005 N/A ARG 87.A N GLN 83.A O no hydrogen 3.065 N/A ARG 87.A NE GLU 136.A OE2 no hydrogen 3.107 N/A ARG 87.A NH2 GLU 136.A OE1 no hydrogen 3.103 N/A ILE 88.A N VAL 84.A O no hydrogen 3.022 N/A MET 89.A N SER 85.A O no hydrogen 2.666 N/A ASN 90.A N SER 86.A O no hydrogen 2.980 N/A ASN 90.A N ARG 87.A O no hydrogen 3.214 N/A LEU 91.A N ARG 87.A O no hydrogen 3.303 N/A LEU 92.A N ILE 88.A O no hydrogen 3.137 N/A ARG 93.A N MET 89.A O no hydrogen 3.074 N/A ARG 93.A NH2 ASN 90.A OD1 no hydrogen 2.787 N/A GLU 94.A N LEU 91.A O no hydrogen 2.976 N/A TYR 95.A N LEU 92.A O no hydrogen 2.700 N/A SER 96.A N ARG 93.A O no hydrogen 3.491 N/A SER 96.A OG LYS 98.A O no hydrogen 3.364 N/A SER 96.A OG ASP 110.A O no hydrogen 3.505 N/A LYS 98.A N SER 96.A OG no hydrogen 3.303 N/A GLU 100.A N TYR 108.A O no hydrogen 2.876 N/A ALA 102.A N GLU 106.A O no hydrogen 2.990 N/A SER 103.A N GLU 106.A O no hydrogen 3.420 N/A SER 103.A OG ASP 105.A OD1 no hydrogen 3.068 N/A GLU 106.A N SER 103.A O no hydrogen 3.178 N/A ALA 107.A N VAL 6.A O no hydrogen 3.100 N/A TYR 108.A N GLU 100.A O no hydrogen 2.871 N/A LEU 109.A N LEU 4.A O no hydrogen 2.750 N/A ASP 110.A N LYS 98.A O no hydrogen 3.091 N/A SER 112.A N ASP 110.A OD1 no hydrogen 3.237 N/A SER 112.A OG ASP 110.A OD1 no hydrogen 2.896 N/A LYS 114.A N ILE 111.A O no hydrogen 2.701 N/A VAL 115.A N ILE 111.A O no hydrogen 2.845 N/A ARG 116.A NH1 ASP 117.A OD1 no hydrogen 2.836 N/A ARG 116.A NH2 GLU 120.A OE1 no hydrogen 3.386 N/A TYR 118.A N ASP 117.A OD1 no hydrogen 2.466 N/A ARG 119.A N ASP 117.A OD1 no hydrogen 2.469 N/A GLU 120.A N ASP 117.A OD1 no hydrogen 2.960 N/A TYR 122.A N TYR 118.A O no hydrogen 2.991 N/A ASN 123.A N ARG 119.A O no hydrogen 3.137 N/A LEU 124.A N GLU 120.A O no hydrogen 2.214 N/A GLY 125.A N ALA 121.A O no hydrogen 2.722 N/A LEU 126.A N TYR 122.A O no hydrogen 2.826 N/A GLU 127.A N ASN 123.A O no hydrogen 2.917 N/A ILE 128.A N LEU 124.A O no hydrogen 2.964 N/A LYS 129.A N GLY 125.A O no hydrogen 2.989 N/A LYS 129.A NZ VAL 140.A O no hydrogen 2.876 N/A LYS 129.A NZ ASN 161.A OD1 no hydrogen 3.051 N/A ASN 130.A N LEU 126.A O no hydrogen 2.903 N/A LYS 131.A N ILE 128.A O no hydrogen 3.258 N/A ILE 132.A N ILE 128.A O no hydrogen 3.002 N/A LEU 133.A N LYS 129.A O no hydrogen 3.028 N/A GLU 134.A N ASN 130.A O no hydrogen 3.141 N/A LYS 135.A N LYS 131.A O no hydrogen 2.822 N/A GLU 136.A N ILE 132.A O no hydrogen 2.769 N/A LYS 137.A N LEU 133.A O no hydrogen 2.893 N/A THR 139.A OG1 ASP 9.A OD2 no hydrogen 2.522 N/A THR 141.A N ASP 7.A O no hydrogen 3.024 N/A THR 141.A OG1 ASP 9.A OD1 no hydrogen 2.950 N/A VAL 142.A N GLY 162.A O no hydrogen 3.296 N/A GLY 143.A N PHE 5.A O no hydrogen 2.936 N/A ILE 144.A N LYS 164.A O no hydrogen 2.936 N/A SER 145.A N VAL 3.A O no hydrogen 3.144 N/A SER 145.A OG ILE 166.A O no hydrogen 3.331 N/A LYS 146.A NZ ASP 231.A OD1 no hydrogen 2.536 N/A LYS 146.A NZ ASP 231.A OD2 no hydrogen 3.338 N/A PHE 150.A N ASN 147.A OD1 no hydrogen 2.677 N/A ALA 151.A N ASN 147.A O no hydrogen 2.819 N/A LYS 152.A N LYS 148.A O no hydrogen 2.846 N/A LYS 152.A NZ GLU 106.A OE1 no hydrogen 3.422 N/A LYS 152.A NZ TYR 108.A OH no hydrogen 3.339 N/A ILE 153.A N VAL 149.A O no hydrogen 3.038 N/A ALA 154.A N PHE 150.A O no hydrogen 2.802 N/A ALA 155.A N ALA 151.A O no hydrogen 3.021 N/A ASP 156.A N LYS 152.A O no hydrogen 2.697 N/A MET 157.A N ILE 153.A O no hydrogen 3.084 N/A MET 157.A N ALA 154.A O no hydrogen 3.095 N/A ALA 158.A N ALA 154.A O no hydrogen 3.044 N/A ALA 158.A N ALA 155.A O no hydrogen 3.064 N/A LYS 159.A N ALA 155.A O no hydrogen 3.030 N/A LYS 159.A NZ ASP 7.A OD1 no hydrogen 3.249 N/A ASN 161.A N ASP 9.A OD2 no hydrogen 3.111 N/A GLY 162.A N THR 141.A OG1 no hydrogen 3.184 N/A LYS 164.A N VAL 142.A O no hydrogen 3.029 N/A VAL 171.A N ASP 167.A O no hydrogen 2.838 N/A LYS 172.A N ASP 168.A O no hydrogen 3.162 N/A LYS 172.A N GLU 169.A O no hydrogen 2.758 N/A ARG 173.A N GLU 169.A O no hydrogen 3.182 N/A LEU 174.A N GLU 170.A O no hydrogen 2.725 N/A ILE 175.A N VAL 171.A O no hydrogen 3.114 N/A ARG 176.A N ARG 173.A O no hydrogen 2.661 N/A GLU 177.A N ARG 173.A O no hydrogen 2.699 N/A ILE 180.A N ASN 200.A O no hydrogen 3.081 N/A ALA 181.A N ASP 179.A OD2.B no hydrogen 3.358 N/A ASP 182.A N ASP 179.A O.A no hydrogen 2.579 N/A ASP 182.A N ASP 179.A O.B no hydrogen 2.596 N/A VAL 183.A N ILE 180.A O no hydrogen 3.211 N/A ILE 186.A N VAL 183.A O no hydrogen 3.039 N/A THR 190.A N GLY 187.A O no hydrogen 2.591 N/A ALA 191.A N GLY 187.A O no hydrogen 2.564 N/A GLU 192.A N ASN 188.A O no hydrogen 2.981 N/A LEU 194.A N THR 190.A O no hydrogen 2.871 N/A LEU 194.A N ALA 191.A O no hydrogen 3.010 N/A LYS 195.A N ALA 191.A O no hydrogen 2.948 N/A LYS 196.A N GLU 192.A O no hydrogen 2.904 N/A LEU 197.A N LEU 194.A O no hydrogen 2.451 N/A GLY 198.A N LYS 195.A O no hydrogen 2.477 N/A ASN 200.A N ASP 204.A OD2 no hydrogen 3.274 N/A LYS 201.A N ASP 204.A OD2 no hydrogen 2.814 N/A LYS 201.A NZ GLU 177.A O no hydrogen 3.533 N/A VAL 203.A N ILE 175.A O no hydrogen 2.668 N/A ASP 204.A N LYS 201.A O no hydrogen 2.923 N/A THR 205.A N LEU 202.A O no hydrogen 3.308 N/A THR 205.A OG1 LEU 202.A O no hydrogen 2.536 N/A LEU 206.A N VAL 203.A O no hydrogen 2.877 N/A LYS 212.A N GLU 209.A O no hydrogen 3.326 N/A LEU 213.A N PHE 210.A O no hydrogen 2.418 N/A LYS 214.A N PHE 210.A O no hydrogen 3.158 N/A LYS 214.A NZ GLU 219.A OE1 no hydrogen 2.705 N/A MET 216.A N LEU 213.A O no hydrogen 2.870 N/A ILE 217.A N LEU 213.A O no hydrogen 3.117 N/A LYS 221.A NZ GLY 185.A O no hydrogen 2.945 N/A ALA 222.A N GLY 218.A O no hydrogen 2.916 N/A LYS 223.A N GLU 219.A O no hydrogen 2.889 N/A LYS 223.A NZ GLU 219.A OE2 no hydrogen 3.101 N/A TYR 224.A N ALA 220.A O no hydrogen 2.881 N/A TYR 224.A OH PRO 184.A O no hydrogen 2.869 N/A LEU 225.A N LYS 221.A O no hydrogen 2.993 N/A ILE 226.A N ALA 222.A O no hydrogen 3.108 N/A SER 227.A N LYS 223.A O no hydrogen 2.804 N/A SER 227.A OG LYS 223.A O no hydrogen 2.830 N/A SER 227.A OG TYR 224.A O no hydrogen 2.879 N/A LEU 228.A N TYR 224.A O no hydrogen 3.014 N/A ALA 229.A N LEU 225.A O no hydrogen 2.944 N/A ARG 230.A N ILE 226.A O no hydrogen 2.701 N/A ASP 231.A N LEU 228.A O no hydrogen 3.079 N/A GLU 232.A N SER 227.A O no hydrogen 2.661 N/A ARG 240.A NE.A ILE 101.A O no hydrogen 3.345 N/A ILE 245.A N PHE 337.A O no hydrogen 3.089 N/A ARG 247.A N VAL 335.A O no hydrogen 3.011 N/A ARG 247.A NE ILE 248.A O no hydrogen 3.083 N/A ARG 247.A NH1 GLU 271.A OE1 no hydrogen 2.555 N/A VAL 249.A N ILE 333.A O no hydrogen 2.866 N/A MET 251.A N ARG 331.A O no hydrogen 3.087 N/A LYS 252.A N TYR 264.A OH no hydrogen 3.113 N/A SER 255.A N ILE 330.A O no hydrogen 3.035 N/A SER 255.A OG ASN 257.A O no hydrogen 3.475 N/A SER 255.A OG GLU 260.A OE1 no hydrogen 2.918 N/A ARG 256.A NH2 ASP 326.A O no hydrogen 2.531 N/A ASN 257.A N SER 255.A OG no hydrogen 2.765 N/A GLU 260.A N ASN 257.A O no hydrogen 2.853 N/A GLU 260.A N ASN 257.A OD1 no hydrogen 3.111 N/A ILE 261.A N ASN 257.A O no hydrogen 3.110 N/A ILE 261.A N LEU 258.A O no hydrogen 3.307 N/A LYS 262.A N LEU 258.A O no hydrogen 3.041 N/A LYS 262.A NZ GLU 259.A OE1 no hydrogen 3.359 N/A LYS 262.A NZ GLU 259.A OE2 no hydrogen 2.693 N/A TYR 264.A N ILE 261.A O no hydrogen 2.672 N/A LEU 265.A N ILE 261.A O no hydrogen 2.975 N/A PHE 266.A N LYS 262.A O no hydrogen 2.733 N/A ARG 267.A N PRO 263.A O no hydrogen 3.210 N/A ARG 267.A NE GLU 271.A OE2 no hydrogen 3.158 N/A ALA 268.A N TYR 264.A O no hydrogen 3.070 N/A ILE 269.A N LEU 265.A O no hydrogen 2.978 N/A GLU 270.A N PHE 266.A O no hydrogen 2.801 N/A GLU 271.A N ARG 267.A O no hydrogen 3.076 N/A SER 272.A N ALA 268.A O no hydrogen 3.092 N/A SER 272.A OG ALA 268.A O no hydrogen 2.816 N/A TYR 273.A N ILE 269.A O no hydrogen 2.938 N/A TYR 273.A OH ILE 306.A O no hydrogen 2.422 N/A TYR 274.A N GLU 270.A O no hydrogen 3.145 N/A LYS 275.A N GLU 271.A O no hydrogen 2.949 N/A LEU 276.A N SER 272.A O no hydrogen 2.683 N/A LEU 276.A N TYR 273.A O no hydrogen 3.060 N/A ASP 277.A N TYR 274.A O no hydrogen 3.405 N/A ARG 279.A N LEU 276.A O no hydrogen 2.876 N/A LYS 282.A N SER 338.A O no hydrogen 3.248 N/A LYS 282.A N LYS 339.A O no hydrogen 3.240 N/A LYS 282.A NZ LYS 339.A O no hydrogen 3.415 N/A ALA 283.A N SER 338.A O no hydrogen 3.306 N/A ILE 284.A N ARG 300.A O no hydrogen 2.847 N/A HIS 285.A N ARG 336.A O no hydrogen 2.851 N/A VAL 286.A N ARG 298.A O no hydrogen 2.877 N/A VAL 287.A N GLY 334.A O no hydrogen 2.849 N/A ALA 288.A N VAL 296.A O no hydrogen 2.852 N/A VAL 289.A N ARG 332.A O no hydrogen 2.550 N/A THR 290.A N ASP 294.A O no hydrogen 2.648 N/A THR 290.A OG1 ASP 292.A OD1 no hydrogen 2.721 N/A THR 290.A OG1 ASP 294.A O no hydrogen 3.478 N/A GLU 291.A N LYS 329.A O no hydrogen 2.815 N/A ASP 292.A N THR 290.A OG1 no hydrogen 3.221 N/A LEU 293.A N THR 290.A O no hydrogen 3.003 N/A ASP 294.A N THR 290.A OG1 no hydrogen 2.877 N/A VAL 296.A N ALA 288.A O no hydrogen 2.947 N/A ARG 298.A N VAL 286.A O no hydrogen 3.116 N/A ARG 298.A NE GLU 325.A OE1 no hydrogen 2.810 N/A ARG 298.A NH1 SER 297.A O no hydrogen 3.148 N/A ARG 298.A NH2 GLU 325.A OE1 no hydrogen 3.218 N/A ARG 300.A N ILE 284.A O no hydrogen 2.887 N/A PHE 302.A N LYS 282.A O no hydrogen 2.676 N/A SER 307.A OG THR 310.A OG1 no hydrogen 3.015 N/A LYS 308.A NZ GLU 270.A OE2 no hydrogen 2.900 N/A THR 310.A N SER 307.A OG no hydrogen 3.084 N/A THR 310.A OG1 SER 307.A OG no hydrogen 3.015 N/A ALA 311.A N SER 307.A O no hydrogen 2.860 N/A TYR 312.A N LYS 308.A O no hydrogen 2.976 N/A TYR 312.A OH GLU 270.A OE1 no hydrogen 2.464 N/A SER 313.A N GLU 309.A O no hydrogen 3.060 N/A GLU 314.A N THR 310.A O no hydrogen 2.783 N/A SER 315.A N ALA 311.A O no hydrogen 2.841 N/A SER 315.A OG ALA 311.A O no hydrogen 2.698 N/A SER 315.A OG TYR 312.A O no hydrogen 3.095 N/A LYS 317.A N SER 313.A O no hydrogen 3.276 N/A LYS 317.A NZ SER 313.A OG no hydrogen 2.768 N/A LEU 318.A N GLU 314.A O no hydrogen 2.973 N/A LEU 319.A N SER 315.A O no hydrogen 2.952 N/A GLN 320.A N VAL 316.A O no hydrogen 2.969 N/A LYS 321.A N LYS 317.A O no hydrogen 2.811 N/A LYS 321.A NZ GLU 325.A OE1 no hydrogen 3.165 N/A LYS 321.A NZ GLU 325.A OE2 no hydrogen 2.622 N/A ILE 322.A N LEU 318.A O no hydrogen 2.850 N/A LEU 323.A N LEU 319.A O no hydrogen 2.914 N/A GLU 324.A N GLN 320.A O no hydrogen 2.696 N/A GLU 325.A N LYS 321.A O no hydrogen 2.954 N/A ARG 328.A NE ASP 326.A OD1 no hydrogen 3.497 N/A ARG 328.A NH1 ASP 294.A OD2 no hydrogen 3.174 N/A ARG 328.A NH1 ASP 326.A OD1 no hydrogen 2.981 N/A ARG 328.A NH2 ASP 292.A OD1 no hydrogen 2.718 N/A LYS 329.A N GLU 291.A OE1 no hydrogen 2.980 N/A ILE 330.A N SER 255.A O no hydrogen 2.813 N/A ARG 331.A N VAL 289.A O no hydrogen 2.733 N/A ARG 332.A N VAL 289.A O no hydrogen 3.004 N/A ILE 333.A N VAL 249.A O no hydrogen 3.116 N/A GLY 334.A N VAL 287.A O no hydrogen 2.797 N/A VAL 335.A N ARG 247.A O no hydrogen 3.036 N/A ARG 336.A N HIS 285.A O no hydrogen 2.981 N/A ARG 336.A NH1 SER 244.A OG no hydrogen 3.123 N/A PHE 337.A N ILE 245.A O no hydrogen 2.846 N/A SER 338.A N ALA 283.A O no hydrogen 3.064 N/A LYS 339.A NZ THR 301.A OG1 no hydrogen 2.719 N/A ILE 341.A N ILE 280.A O no hydrogen 2.645 N/A