Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 65.A OE2 no hydrogen 3.263 N/A LYS 2.A N GLU 65.A OE2 no hydrogen 2.977 N/A VAL 3.A N ALA 35.A O no hydrogen 3.041 N/A ALA 4.A N ALA 66.A O no hydrogen 2.935 N/A VAL 5.A N GLU 37.A O no hydrogen 2.852 N/A LEU 6.A N LEU 68.A O no hydrogen 3.000 N/A ILE 11.A N SER 275.A O no hydrogen 2.824 N/A GLY 12.A N ASP 9.A O no hydrogen 2.834 N/A VAL 15.A N ILE 11.A O no hydrogen 2.962 N/A THR 16.A N GLY 12.A O no hydrogen 3.006 N/A THR 16.A OG1 GLY 12.A O no hydrogen 2.656 N/A GLU 17.A N PRO 13.A O no hydrogen 2.882 N/A ALA 19.A N VAL 15.A O no hydrogen 3.084 N/A LEU 20.A N THR 16.A O no hydrogen 2.886 N/A LYS 21.A N GLU 17.A O no hydrogen 2.820 N/A VAL 22.A N ALA 18.A O no hydrogen 3.230 N/A LEU 23.A N ALA 19.A O no hydrogen 2.972 N/A ARG 24.A N LEU 20.A O no hydrogen 2.850 N/A ARG 24.A NE TYR 36.A OH no hydrogen 2.887 N/A ARG 24.A NH1 GLU 17.A OE2 no hydrogen 3.171 N/A ARG 24.A NH2 GLU 17.A OE1 no hydrogen 3.046 N/A ARG 24.A NH2 GLU 17.A OE2 no hydrogen 2.964 N/A ARG 24.A NH2 TYR 36.A OH no hydrogen 3.378 N/A ALA 25.A N LYS 21.A O no hydrogen 3.167 N/A LEU 26.A N VAL 22.A O no hydrogen 3.111 N/A ASP 27.A N LEU 23.A O no hydrogen 2.997 N/A GLU 28.A N ARG 24.A O no hydrogen 3.206 N/A ALA 29.A N ALA 25.A O no hydrogen 3.294 N/A GLU 30.A N LEU 26.A O no hydrogen 3.132 N/A LEU 34.A N ASP 27.A OD1 no hydrogen 3.423 N/A ALA 35.A N MET 1.A O no hydrogen 2.852 N/A GLU 37.A N VAL 3.A O no hydrogen 3.139 N/A PHE 39.A N VAL 5.A O no hydrogen 3.067 N/A GLY 42.A N PRO 52.A O no hydrogen 2.808 N/A ALA 44.A N GLY 42.A O no hydrogen 2.865 N/A ASP 47.A N GLY 43.A O no hydrogen 3.403 N/A ALA 48.A N ALA 44.A O no hydrogen 3.359 N/A PHE 49.A N ALA 45.A O no hydrogen 2.690 N/A THR 57.A OG1 PRO 40.A O no hydrogen 2.721 N/A ARG 58.A N PRO 54.A O no hydrogen 3.040 N/A LYS 59.A N GLU 55.A O no hydrogen 3.114 N/A GLY 60.A N PRO 56.A O no hydrogen 2.984 N/A VAL 61.A N THR 57.A O no hydrogen 2.885 N/A GLU 62.A N ARG 58.A O no hydrogen 3.165 N/A GLU 63.A N LYS 59.A O no hydrogen 2.878 N/A ALA 64.A N GLY 60.A O no hydrogen 2.987 N/A GLU 65.A N LYS 2.A O no hydrogen 2.659 N/A ALA 66.A N LYS 2.A O no hydrogen 3.314 N/A VAL 67.A N PRO 267.A O no hydrogen 3.029 N/A LEU 68.A N ALA 4.A O no hydrogen 3.041 N/A LEU 69.A N PHE 269.A O no hydrogen 2.948 N/A GLY 70.A N LEU 6.A O no hydrogen 2.973 N/A SER 71.A N PRO 7.A O no hydrogen 3.358 N/A SER 71.A OG HIS 273.A ND1 no hydrogen 3.302 N/A SER 71.A OG HIS 273.A O no hydrogen 3.456 N/A SER 71.A OG GLY 274.A O no hydrogen 2.941 N/A GLY 73.A N ASP 9.A OD2 no hydrogen 3.075 N/A GLY 74.A N GLU 87.A OE2 no hydrogen 3.419 N/A LYS 76.A NZ ASP 47.A OD1 no hydrogen 2.779 N/A LYS 76.A NZ ASP 47.A OD2 no hydrogen 3.152 N/A TRP 77.A N GLY 74.A O no hydrogen 2.889 N/A TRP 77.A NE1 ASP 47.A OD1 no hydrogen 2.944 N/A ASP 78.A N PRO 75.A O no hydrogen 2.897 N/A ILE 84.A N PRO 81.A O no hydrogen 2.915 N/A THR 88.A N ARG 85.A O no hydrogen 2.989 N/A THR 88.A OG1 ARG 82.A O no hydrogen 3.230 N/A THR 88.A OG1 LYS 83.A O no hydrogen 3.376 N/A THR 88.A OG1 ARG 85.A O no hydrogen 2.764 N/A GLY 89.A N ARG 85.A O no hydrogen 3.339 N/A SER 92.A N THR 88.A O no hydrogen 2.983 N/A SER 92.A OG THR 88.A O no hydrogen 3.326 N/A LEU 93.A N GLY 89.A O no hydrogen 3.052 N/A ARG 94.A N LEU 90.A O no hydrogen 3.325 N/A LYS 95.A N LEU 91.A O no hydrogen 2.825 N/A SER 96.A N SER 92.A O no hydrogen 2.907 N/A SER 96.A OG SER 92.A O no hydrogen 3.284 N/A SER 96.A OG LEU 93.A O no hydrogen 3.107 N/A GLN 97.A N ARG 94.A O no hydrogen 3.109 N/A GLN 97.A NE2 GLU 62.A OE1 no hydrogen 3.412 N/A GLN 97.A NE2 SER 96.A OG no hydrogen 2.943 N/A ASP 98.A N LYS 95.A O no hydrogen 3.150 N/A LEU 99.A N ARG 94.A O no hydrogen 3.346 N/A PHE 100.A N LEU 262.A O no hydrogen 3.190 N/A ALA 101.A N LEU 262.A O no hydrogen 3.185 N/A ASN 102.A N ARG 132.A O no hydrogen 2.875 N/A ASN 102.A ND2 ALA 260.A O no hydrogen 3.099 N/A ASN 102.A ND2 SER 261.A OG no hydrogen 3.399 N/A LEU 103.A N ALA 260.A O no hydrogen 2.757 N/A ARG 104.A N ILE 130.A O no hydrogen 3.062 N/A ARG 104.A NH1 ASP 245.A OD1 no hydrogen 3.167 N/A ALA 106.A N VAL 128.A O no hydrogen 2.854 N/A VAL 108.A N VAL 126.A O no hydrogen 2.900 N/A LEU 112.A N PHE 109.A O no hydrogen 2.906 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.845 N/A ARG 114.A NH2 LEU 327.A O no hydrogen 2.944 N/A LEU 115.A N LEU 112.A O no hydrogen 3.087 N/A SER 116.A N GLU 113.A O no hydrogen 3.124 N/A SER 116.A OG LEU 250.A O no hydrogen 2.783 N/A LEU 118.A N SER 116.A OG no hydrogen 3.213 N/A ILE 122.A N LYS 119.A O no hydrogen 2.851 N/A ALA 123.A N LYS 119.A O no hydrogen 3.022 N/A ARG 124.A N GLU 120.A O no hydrogen 3.028 N/A VAL 126.A N ALA 123.A O no hydrogen 3.346 N/A VAL 128.A N ALA 106.A O no hydrogen 3.032 N/A LEU 129.A N ASP 231.A O no hydrogen 2.834 N/A ILE 130.A N ARG 104.A O no hydrogen 3.196 N/A VAL 131.A N VAL 233.A O no hydrogen 2.764 N/A ARG 132.A N ASN 102.A O no hydrogen 3.005 N/A ARG 132.A NE ASN 237.A O no hydrogen 3.165 N/A ARG 132.A NE ASN 237.A OD1 no hydrogen 2.895 N/A ARG 132.A NH2 ASN 237.A OD1 no hydrogen 2.664 N/A GLU 133.A N THR 235.A O no hydrogen 3.104 N/A LEU 134.A N PHE 100.A O no hydrogen 2.930 N/A THR 135.A N GLU 133.A OE2 no hydrogen 2.972 N/A THR 135.A OG1 GLU 133.A OE2 no hydrogen 2.770 N/A GLY 136.A N GLU 133.A OE1 no hydrogen 2.823 N/A GLY 137.A N ARG 156.A O no hydrogen 3.285 N/A ILE 138.A N GLU 155.A OE1 no hydrogen 2.851 N/A TYR 139.A OH ASP 241.A OD2 no hydrogen 2.624 N/A PHE 140.A N GLY 137.A O no hydrogen 3.040 N/A GLY 141.A N GLY 137.A O no hydrogen 2.980 N/A ARG 144.A NH1 TYR 139.A O no hydrogen 2.941 N/A ARG 144.A NH1 GLY 141.A O no hydrogen 3.432 N/A ARG 144.A NH2 TYR 139.A O no hydrogen 3.421 N/A GLY 145.A N TRP 152.A O no hydrogen 3.006 N/A SER 147.A N GLU 150.A O no hydrogen 2.728 N/A SER 147.A OG GLU 150.A O no hydrogen 3.355 N/A ALA 149.A N SER 147.A OG no hydrogen 3.061 N/A GLU 150.A N SER 147.A OG no hydrogen 3.098 N/A TRP 152.A N GLY 145.A O no hydrogen 2.930 N/A THR 154.A OG1 PRO 143.A O no hydrogen 2.727 N/A ARG 156.A NE GLU 142.A O no hydrogen 3.114 N/A ARG 156.A NH2 GLU 142.A O no hydrogen 2.744 N/A TYR 157.A OH GLU 133.A OE1 no hydrogen 2.775 N/A SER 158.A N GLU 161.A OE1 no hydrogen 2.958 N/A LYS 159.A NZ GLU 163.A OE2 no hydrogen 2.860 N/A GLU 161.A N SER 158.A O no hydrogen 3.032 N/A VAL 162.A N SER 158.A O no hydrogen 3.334 N/A GLU 163.A N LYS 159.A O no hydrogen 3.066 N/A ARG 164.A N PRO 160.A O no hydrogen 3.127 N/A VAL 165.A N GLU 161.A O no hydrogen 3.463 N/A ALA 166.A N VAL 162.A O no hydrogen 2.946 N/A ARG 167.A N GLU 163.A O no hydrogen 2.992 N/A VAL 168.A N ARG 164.A O no hydrogen 3.327 N/A ALA 169.A N VAL 165.A O no hydrogen 3.209 N/A PHE 170.A N ALA 166.A O no hydrogen 3.040 N/A GLU 171.A N ARG 167.A O no hydrogen 2.958 N/A ALA 172.A N VAL 168.A O no hydrogen 2.898 N/A ALA 173.A N ALA 169.A O no hydrogen 2.976 N/A ARG 174.A N PHE 170.A O no hydrogen 3.151 N/A ARG 174.A NE ASP 208.A OD1 no hydrogen 3.251 N/A ARG 174.A NE ASP 208.A OD2 no hydrogen 3.000 N/A ARG 174.A NH1 GLU 171.A OE2 no hydrogen 2.952 N/A ARG 174.A NH2 ASP 208.A OD1 no hydrogen 2.922 N/A LYS 175.A N ALA 172.A O no hydrogen 3.149 N/A ARG 176.A N ALA 173.A O no hydrogen 3.156 N/A ARG 176.A NH1 ASP 127.A O no hydrogen 3.232 N/A ARG 176.A NH1 ASP 231.A OD1 no hydrogen 2.587 N/A ARG 176.A NH2 ASP 127.A O no hydrogen 3.519 N/A ARG 177.A N ASP 231.A OD1 no hydrogen 3.495 N/A ARG 177.A N ASP 231.A OD2 no hydrogen 2.852 N/A ARG 177.A NH1 ASP 127.A O no hydrogen 3.060 N/A ARG 177.A NH2 ASP 127.A O no hydrogen 2.923 N/A LYS 178.A N ALA 173.A O no hydrogen 2.835 N/A LYS 178.A NZ ASP 208.A OD2 no hydrogen 2.993 N/A HIS 179.A N ASP 231.A OD2 no hydrogen 3.322 N/A VAL 180.A N ALA 210.A O no hydrogen 2.808 N/A VAL 181.A N VAL 232.A O no hydrogen 2.900 N/A SER 182.A N GLU 212.A O no hydrogen 2.901 N/A VAL 183.A N VAL 234.A O no hydrogen 2.953 N/A ASP 184.A N GLN 214.A O no hydrogen 2.997 N/A LYS 185.A NZ ASP 217.A OD1 no hydrogen 2.710 N/A ALA 186.A N ASP 184.A OD1 no hydrogen 2.912 N/A VAL 188.A N LYS 185.A O no hydrogen 3.291 N/A LEU 189.A N LYS 185.A O no hydrogen 3.029 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.954 N/A GLU 193.A N LEU 189.A O no hydrogen 3.038 N/A PHE 194.A N GLU 190.A O no hydrogen 2.864 N/A TRP 195.A N VAL 191.A O no hydrogen 2.876 N/A TRP 195.A NE1 SER 182.A OG no hydrogen 2.833 N/A ARG 196.A N GLY 192.A O no hydrogen 2.904 N/A ARG 196.A NE ASP 184.A OD2 no hydrogen 2.834 N/A ARG 196.A NH2 ASP 184.A OD1 no hydrogen 2.827 N/A ARG 196.A NH2 ASP 184.A OD2 no hydrogen 3.283 N/A LYS 197.A N GLU 193.A O no hydrogen 3.037 N/A THR 198.A N PHE 194.A O no hydrogen 2.954 N/A THR 198.A OG1 PHE 194.A O no hydrogen 2.783 N/A VAL 199.A N TRP 195.A O no hydrogen 3.037 N/A GLU 200.A N ARG 196.A O no hydrogen 3.032 N/A GLU 201.A N LYS 197.A O no hydrogen 3.397 N/A VAL 202.A N THR 198.A O no hydrogen 3.016 N/A GLY 203.A N VAL 199.A O no hydrogen 2.812 N/A ARG 204.A N GLU 201.A O no hydrogen 3.147 N/A ARG 204.A NE GLU 201.A OE1 no hydrogen 2.899 N/A ARG 204.A NH2 GLU 201.A OE1 no hydrogen 3.102 N/A GLY 205.A N VAL 202.A O no hydrogen 3.210 N/A TYR 206.A N GLY 203.A O no hydrogen 2.976 N/A VAL 209.A N TYR 206.A O no hydrogen 3.213 N/A ALA 210.A N LYS 178.A O no hydrogen 2.898 N/A GLU 212.A N VAL 180.A O no hydrogen 2.883 N/A HIS 213.A NE2 GLU 200.A OE1 no hydrogen 3.168 N/A GLN 214.A N SER 182.A O no hydrogen 2.942 N/A GLN 214.A NE2 HIS 222.A NE2 no hydrogen 3.328 N/A VAL 216.A N ASP 184.A O no hydrogen 3.070 N/A MET 219.A N TYR 215.A O no hydrogen 2.834 N/A ALA 220.A N VAL 216.A O no hydrogen 3.007 N/A HIS 222.A N ALA 218.A O no hydrogen 3.031 N/A LEU 223.A N MET 219.A O no hydrogen 2.960 N/A ARG 225.A N MET 221.A O no hydrogen 3.039 N/A SER 226.A N HIS 222.A O no hydrogen 2.901 N/A ARG 229.A N SER 226.A O no hydrogen 3.250 N/A ARG 229.A NH1 GLU 212.A OE1 no hydrogen 3.464 N/A ARG 229.A NH2 GLU 212.A OE1 no hydrogen 3.271 N/A ARG 229.A NH2 GLU 212.A OE2 no hydrogen 2.885 N/A PHE 230.A N PRO 227.A O no hydrogen 3.277 N/A VAL 232.A N HIS 179.A O no hydrogen 2.975 N/A VAL 233.A N LEU 129.A O no hydrogen 2.920 N/A VAL 234.A N VAL 181.A O no hydrogen 2.911 N/A THR 235.A N VAL 131.A O no hydrogen 2.955 N/A THR 235.A OG1 VAL 183.A O no hydrogen 2.874 N/A ASN 237.A N TYR 157.A OH no hydrogen 2.991 N/A ASN 237.A ND2 GLY 136.A O no hydrogen 3.071 N/A GLY 240.A N GLY 236.A O no hydrogen 2.933 N/A ASP 241.A N ASN 237.A O no hydrogen 2.865 N/A ILE 242.A N ILE 238.A O no hydrogen 3.132 N/A LEU 243.A N PHE 239.A O no hydrogen 2.919 N/A SER 244.A N GLY 240.A O no hydrogen 2.949 N/A SER 244.A OG GLY 240.A O no hydrogen 2.762 N/A LEU 246.A N ILE 242.A O no hydrogen 3.008 N/A ALA 247.A N LEU 243.A O no hydrogen 2.969 N/A SER 248.A N SER 244.A O no hydrogen 3.064 N/A SER 248.A N ASP 245.A O no hydrogen 3.234 N/A SER 248.A OG ASP 245.A O no hydrogen 2.889 N/A VAL 249.A N LEU 246.A O no hydrogen 3.370 N/A LEU 250.A N ALA 247.A O no hydrogen 3.206 N/A GLY 252.A N VAL 249.A O no hydrogen 3.260 N/A SER 253.A OG ASP 326.A OD2 no hydrogen 2.848 N/A GLY 255.A N SER 253.A OG no hydrogen 3.413 N/A LEU 256.A N SER 253.A O no hydrogen 3.136 N/A SER 259.A N GLU 270.A O no hydrogen 2.761 N/A SER 259.A OG GLU 270.A O no hydrogen 2.841 N/A ALA 260.A N LEU 103.A O no hydrogen 2.973 N/A SER 261.A N VAL 268.A O no hydrogen 2.893 N/A LEU 262.A N ALA 101.A O no hydrogen 2.981 N/A ARG 264.A N ASP 98.A O no hydrogen 2.841 N/A GLY 265.A N GLN 97.A O no hydrogen 2.670 N/A THR 266.A N GLN 97.A OE1 no hydrogen 2.922 N/A THR 266.A OG1 VAL 61.A O no hydrogen 2.823 N/A THR 266.A OG1 ALA 64.A O no hydrogen 3.378 N/A THR 266.A OG1 GLN 97.A OE1 no hydrogen 3.322 N/A VAL 268.A N SER 261.A O no hydrogen 3.132 N/A PHE 269.A N VAL 67.A O no hydrogen 2.911 N/A GLU 270.A N SER 259.A O no hydrogen 3.050 N/A VAL 272.A N LEU 257.A O no hydrogen 2.921 N/A HIS 273.A ND1 GLY 274.A O no hydrogen 2.697 N/A SER 275.A OG GLY 73.A O no hydrogen 2.946 N/A ILE 279.A N ALA 276.A O no hydrogen 3.150 N/A ALA 280.A N ALA 276.A O no hydrogen 3.209 N/A GLY 281.A N GLU 14.A OE2 no hydrogen 2.951 N/A LYS 282.A N ILE 279.A O no hydrogen 3.113 N/A LYS 282.A NZ ASP 278.A O no hydrogen 3.044 N/A ASN 286.A ND2 ASP 326.A OD2 no hydrogen 2.948 N/A THR 288.A N ASN 286.A OD1 no hydrogen 3.174 N/A THR 288.A OG1 ASN 286.A OD1 no hydrogen 2.787 N/A ILE 291.A N PRO 287.A O no hydrogen 2.956 N/A LEU 292.A N THR 288.A O no hydrogen 2.936 N/A SER 293.A N ALA 289.A O no hydrogen 2.998 N/A SER 293.A OG ALA 289.A O no hydrogen 2.790 N/A ALA 294.A N ALA 290.A O no hydrogen 3.116 N/A ALA 295.A N ILE 291.A O no hydrogen 2.981 N/A MET 296.A N LEU 292.A O no hydrogen 2.914 N/A MET 297.A N SER 293.A O no hydrogen 2.984 N/A LEU 298.A N ALA 294.A O no hydrogen 3.056 N/A GLU 299.A N ALA 295.A O no hydrogen 3.037 N/A HIS 300.A N MET 296.A O no hydrogen 2.835 N/A ALA 301.A N MET 297.A O no hydrogen 2.867 N/A PHE 302.A N MET 297.A O no hydrogen 3.227 N/A LEU 304.A N LEU 298.A O no hydrogen 2.833 N/A VAL 305.A N GLY 303.A O no hydrogen 2.964 N/A ALA 308.A N LEU 304.A O no hydrogen 3.106 N/A ARG 309.A N VAL 305.A O no hydrogen 3.055 N/A ARG 309.A NE GLU 299.A OE1 no hydrogen 3.227 N/A ARG 309.A NH1 LYS 175.A O no hydrogen 3.505 N/A ARG 309.A NH2 LYS 175.A O no hydrogen 3.085 N/A ARG 309.A NH2 GLU 299.A OE1 no hydrogen 2.991 N/A ARG 309.A NH2 GLU 299.A OE2 no hydrogen 2.982 N/A LYS 310.A N GLU 306.A O no hydrogen 3.099 N/A VAL 311.A N LEU 307.A O no hydrogen 3.092 N/A GLU 312.A N ALA 308.A O no hydrogen 3.148 N/A ASP 313.A N ARG 309.A O no hydrogen 3.067 N/A ALA 314.A N LYS 310.A O no hydrogen 3.029 N/A VAL 315.A N VAL 311.A O no hydrogen 2.983 N/A ALA 316.A N GLU 312.A O no hydrogen 2.872 N/A LYS 317.A N ASP 313.A O no hydrogen 2.919 N/A ALA 318.A N ALA 314.A O no hydrogen 3.007 N/A LEU 319.A N VAL 315.A O no hydrogen 3.029 N/A GLU 321.A N LYS 317.A O no hydrogen 2.874 N/A THR 322.A N ALA 318.A O no hydrogen 2.851 N/A THR 322.A OG1 THR 339.A OG1 no hydrogen 2.825 N/A LEU 327.A N PRO 324.A O no hydrogen 3.178 N/A GLY 328.A N PRO 325.A O no hydrogen 2.926 N/A GLY 329.A N PRO 324.A O no hydrogen 2.929 N/A ALA 331.A N PRO 323.A O no hydrogen 3.170 N/A THR 333.A N GLY 283.A O no hydrogen 3.223 N/A THR 333.A OG1 ALA 285.A O no hydrogen 2.690 N/A PHE 336.A N GLY 332.A O no hydrogen 2.886 N/A THR 337.A N THR 333.A O no hydrogen 2.955 N/A THR 337.A OG1 THR 333.A O no hydrogen 2.886 N/A ALA 338.A N GLU 334.A O no hydrogen 3.070 N/A THR 339.A N ALA 335.A O no hydrogen 3.310 N/A THR 339.A N PHE 336.A O no hydrogen 2.965 N/A THR 339.A OG1 THR 322.A OG1 no hydrogen 2.825 N/A THR 339.A OG1 ALA 335.A O no hydrogen 3.100 N/A VAL 340.A N PHE 336.A O no hydrogen 3.196 N/A LEU 341.A N THR 337.A O no hydrogen 2.994 N/A ARG 342.A N ALA 338.A O no hydrogen 3.085 N/A ARG 342.A NH1 GLU 321.A OE2 no hydrogen 2.848 N/A HIS 343.A N THR 339.A O no hydrogen 3.173 N/A HIS 343.A ND1 THR 339.A O no hydrogen 2.927 N/A LEU 344.A N LEU 341.A O no hydrogen 3.080 N/A ALA 345.A N LEU 341.A O no hydrogen 3.075 N/A