Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ LYS 2.A O no hydrogen 2.496 N/A THR 4.A OG1 THR 348.A O no hydrogen 2.919 N/A ASN 6.A N ILE 3.A O no hydrogen 2.600 N/A ASN 6.A ND2 ILE 3.A O no hydrogen 2.835 N/A LEU 7.A N ILE 3.A O no hydrogen 2.695 N/A ALA 8.A N THR 4.A O no hydrogen 2.764 N/A PHE 10.A N ASN 6.A O no hydrogen 2.848 N/A ALA 11.A N LEU 7.A O no hydrogen 2.616 N/A PHE 12.A N ALA 8.A O no hydrogen 3.096 N/A SER 13.A N GLU 9.A O no hydrogen 2.760 N/A SER 13.A OG GLU 9.A O no hydrogen 2.920 N/A SER 13.A OG PHE 10.A O no hydrogen 3.179 N/A LEU 14.A N PHE 10.A O no hydrogen 2.781 N/A LEU 14.A N ALA 11.A O no hydrogen 3.321 N/A TYR 15.A N ALA 11.A O no hydrogen 2.956 N/A TYR 15.A OH GLU 241.A OE2 no hydrogen 2.278 N/A ARG 16.A N PHE 12.A O no hydrogen 2.994 N/A ARG 16.A NH2 GLU 241.A O no hydrogen 2.468 N/A GLN 17.A N LEU 14.A O no hydrogen 3.190 N/A LEU 18.A N TYR 15.A O no hydrogen 3.090 N/A ALA 19.A N TYR 15.A O no hydrogen 3.011 N/A GLN 21.A NE2 GLN 17.A O no hydrogen 3.168 N/A SER 22.A N ALA 19.A O no hydrogen 3.168 N/A SER 22.A OG SER 22.A O no hydrogen 2.551 N/A ASN 23.A ND2 ASN 23.A O no hydrogen 2.774 N/A ASN 26.A ND2 ASN 359.A O no hydrogen 2.909 N/A ILE 27.A N LYS 356.A O no hydrogen 3.036 N/A PHE 28.A N TYR 274.A OH no hydrogen 2.871 N/A PHE 29.A N MET 354.A O no hydrogen 3.195 N/A SER 30.A N HIS 311.A NE2 no hydrogen 3.397 N/A SER 30.A OG LEU 352.A O no hydrogen 2.675 N/A SER 33.A N SER 30.A OG no hydrogen 2.957 N/A ILE 34.A N SER 30.A O no hydrogen 3.205 N/A ALA 35.A N PRO 31.A O no hydrogen 3.103 N/A THR 36.A N VAL 32.A O no hydrogen 2.829 N/A THR 36.A OG1 VAL 32.A O no hydrogen 3.095 N/A ALA 37.A N SER 33.A O no hydrogen 3.098 N/A PHE 38.A N ILE 34.A O no hydrogen 2.833 N/A ALA 39.A N ALA 35.A O no hydrogen 2.556 N/A MET 40.A N THR 36.A O no hydrogen 2.707 N/A LEU 41.A N ALA 37.A O no hydrogen 3.023 N/A SER 42.A N PHE 38.A O no hydrogen 2.791 N/A SER 42.A OG ALA 39.A O no hydrogen 2.615 N/A LEU 43.A N MET 40.A O no hydrogen 2.693 N/A GLY 44.A N LEU 41.A O no hydrogen 3.107 N/A THR 45.A N SER 42.A O no hydrogen 2.836 N/A THR 45.A OG1 SER 42.A O no hydrogen 2.813 N/A LYS 46.A N ASP 294.A O no hydrogen 2.994 N/A HIS 50.A N LYS 46.A O no hydrogen 3.060 N/A ASP 51.A N ALA 47.A O no hydrogen 3.104 N/A GLU 52.A N ASP 48.A O no hydrogen 2.648 N/A ILE 53.A N HIS 50.A O no hydrogen 2.860 N/A LEU 54.A N HIS 50.A O no hydrogen 3.400 N/A GLU 55.A N ASP 51.A O no hydrogen 3.103 N/A GLY 56.A N GLU 52.A O no hydrogen 2.950 N/A LEU 57.A N LEU 54.A O no hydrogen 3.371 N/A ASN 58.A N GLU 55.A O no hydrogen 2.445 N/A PHE 59.A N LEU 54.A O no hydrogen 3.132 N/A PHE 59.A N GLU 55.A O no hydrogen 3.269 N/A GLU 63.A N ASN 60.A O no hydrogen 2.694 N/A ILE 69.A N PRO 65.A O no hydrogen 3.244 N/A HIS 70.A N GLU 66.A O no hydrogen 2.900 N/A HIS 70.A ND1 TYR 115.A OH no hydrogen 2.603 N/A GLY 72.A N GLN 68.A O no hydrogen 2.779 N/A PHE 73.A N ILE 69.A O no hydrogen 2.905 N/A GLN 74.A N HIS 70.A O no hydrogen 3.139 N/A GLU 75.A N GLU 71.A O no hydrogen 3.044 N/A LEU 76.A N GLY 72.A O no hydrogen 3.150 N/A LEU 77.A N PHE 73.A O no hydrogen 2.802 N/A ARG 78.A N GLN 74.A O no hydrogen 3.201 N/A THR 79.A N GLU 75.A O no hydrogen 3.470 N/A THR 79.A OG1 GLU 75.A O no hydrogen 3.214 N/A LEU 80.A N LEU 76.A O no hydrogen 3.299 N/A ASN 81.A N LEU 77.A O no hydrogen 3.435 N/A GLN 82.A N ARG 78.A O no hydrogen 2.637 N/A GLN 86.A N ASP 84.A O no hydrogen 2.496 N/A THR 90.A N PHE 166.A O no hydrogen 2.990 N/A THR 91.A OG1 TYR 164.A O no hydrogen 2.919 N/A GLY 92.A N TYR 164.A O no hydrogen 3.304 N/A PHE 94.A N VAL 162.A O no hydrogen 2.588 N/A LEU 95.A N GLU 118.A O no hydrogen 3.045 N/A PHE 96.A N ALA 160.A O no hydrogen 2.902 N/A LEU 97.A N PHE 120.A O no hydrogen 3.133 N/A SER 98.A N VAL 158.A O no hydrogen 2.817 N/A GLU 99.A N VAL 122.A O no hydrogen 2.813 N/A VAL 104.A N VAL 298.A O no hydrogen 3.165 N/A LYS 106.A NZ ASP 110.A OD1 no hydrogen 3.386 N/A GLU 109.A N ASP 105.A O no hydrogen 3.110 N/A ASP 110.A N LYS 106.A O no hydrogen 2.791 N/A VAL 111.A N PHE 107.A O no hydrogen 2.948 N/A LYS 112.A N LEU 108.A O no hydrogen 3.127 N/A LYS 113.A N ASP 110.A O no hydrogen 2.767 N/A LEU 114.A N ASP 110.A O no hydrogen 3.044 N/A TYR 115.A N VAL 111.A O no hydrogen 3.244 N/A TYR 115.A OH HIS 70.A ND1 no hydrogen 2.603 N/A SER 117.A OG TYR 115.A O no hydrogen 2.521 N/A GLU 118.A N ASN 93.A O no hydrogen 3.211 N/A PHE 120.A N LEU 95.A O no hydrogen 2.776 N/A VAL 122.A N LEU 97.A O no hydrogen 3.090 N/A GLU 128.A N ASP 126.A OD1 no hydrogen 3.102 N/A GLU 129.A N ASP 126.A OD1 no hydrogen 3.138 N/A ALA 130.A N ASP 126.A O no hydrogen 3.193 N/A LYS 131.A N THR 127.A O no hydrogen 3.420 N/A LYS 132.A N GLU 128.A O no hydrogen 2.803 N/A GLN 133.A N GLU 129.A O no hydrogen 2.916 N/A GLN 133.A NE2 GLU 129.A OE2 no hydrogen 3.561 N/A ILE 134.A N ALA 130.A O no hydrogen 2.749 N/A ASN 135.A N LYS 131.A O no hydrogen 2.857 N/A ASN 135.A ND2 VAL 150.A O no hydrogen 3.145 N/A ASP 136.A N LYS 132.A O no hydrogen 3.057 N/A TYR 137.A N GLN 133.A O no hydrogen 2.554 N/A VAL 138.A N ILE 134.A O no hydrogen 2.801 N/A GLU 139.A N ASN 135.A O no hydrogen 3.039 N/A LYS 140.A N TYR 137.A O no hydrogen 3.195 N/A GLY 141.A N TYR 137.A O no hydrogen 3.019 N/A GLN 143.A N LYS 140.A O no hydrogen 3.261 N/A GLY 144.A N GLU 139.A O no hydrogen 2.854 N/A ARG 155.A N ASP 154.A OD1 no hydrogen 2.627 N/A VAL 158.A N SER 307.A OG no hydrogen 3.383 N/A ALA 160.A N PHE 96.A O no hydrogen 2.990 N/A LEU 161.A N LYS 308.A O no hydrogen 2.702 N/A VAL 162.A N PHE 94.A O no hydrogen 2.998 N/A ASN 163.A N VAL 310.A O no hydrogen 2.906 N/A ASN 163.A ND2 SER 33.A OG no hydrogen 2.223 N/A ASN 163.A ND2 HIS 311.A ND1 no hydrogen 3.197 N/A TYR 164.A N GLY 92.A O no hydrogen 3.183 N/A ILE 165.A N LYS 312.A O no hydrogen 2.956 N/A PHE 166.A N THR 90.A O no hydrogen 2.835 N/A PHE 167.A N VAL 314.A O no hydrogen 2.852 N/A LYS 168.A N GLN 88.A O no hydrogen 3.416 N/A LYS 170.A NZ GLN 86.A O no hydrogen 3.531 N/A LYS 170.A NZ GLN 88.A OE1 no hydrogen 2.857 N/A TRP 171.A N LYS 320.A O no hydrogen 2.897 N/A TRP 171.A NE1 ASP 318.A O no hydrogen 2.892 N/A GLU 172.A N LYS 220.A O no hydrogen 3.333 N/A PHE 175.A N GLU 319.A O no hydrogen 3.282 N/A LYS 178.A NZ GLU 176.A OE1 no hydrogen 3.456 N/A LYS 178.A NZ ASP 179.A OD1 no hydrogen 3.341 N/A THR 180.A N VAL 177.A O no hydrogen 2.864 N/A THR 180.A OG1 GLU 319.A OE2 no hydrogen 3.277 N/A GLU 181.A N MET 197.A O no hydrogen 3.397 N/A GLU 183.A N VAL 195.A O no hydrogen 2.839 N/A PHE 185.A N VAL 193.A O no hydrogen 2.970 N/A HIS 186.A N ASN 336.A O no hydrogen 2.785 N/A ASP 188.A N THR 191.A O no hydrogen 3.467 N/A GLN 189.A N ASP 188.A OD2 no hydrogen 2.611 N/A THR 192.A OG1 THR 191.A O no hydrogen 2.852 N/A VAL 193.A N PHE 185.A O no hydrogen 3.316 N/A LYS 194.A NZ ASP 184.A OD1 no hydrogen 2.944 N/A LYS 194.A NZ ASP 184.A OD2 no hydrogen 3.163 N/A VAL 195.A N GLU 183.A O no hydrogen 2.897 N/A MET 197.A N GLU 181.A O no hydrogen 2.958 N/A LYS 199.A NZ GLU 181.A OE1 no hydrogen 3.369 N/A LYS 199.A NZ GLU 183.A OE1 no hydrogen 3.244 N/A LYS 199.A NZ GLU 183.A OE2 no hydrogen 2.916 N/A ARG 200.A N LEU 263.A O no hydrogen 3.119 N/A ARG 200.A NH2 ARG 173.A O no hydrogen 3.257 N/A GLY 202.A N ALA 261.A O no hydrogen 3.026 N/A PHE 204.A N ARG 259.A O no hydrogen 2.860 N/A ASN 205.A ND2 ASN 205.A O no hydrogen 2.885 N/A GLN 207.A N VAL 216.A O no hydrogen 3.197 N/A SER 213.A N LYS 210.A O no hydrogen 3.208 N/A SER 213.A OG ASP 233.A OD2 no hydrogen 3.210 N/A SER 214.A N CYS 209.A O no hydrogen 3.198 N/A SER 214.A OG LEU 212.A O no hydrogen 2.796 N/A TRP 215.A N LEU 231.A O no hydrogen 2.740 N/A VAL 216.A N GLN 207.A O no hydrogen 3.039 N/A LEU 217.A N PHE 229.A O no hydrogen 2.754 N/A MET 219.A N ALA 227.A O no hydrogen 2.858 N/A TYR 221.A N ALA 225.A O no hydrogen 3.370 N/A LEU 222.A N LYS 170.A O no hydrogen 2.780 N/A ASN 224.A ND2 THR 79.A O no hydrogen 3.567 N/A THR 226.A N ILE 344.A O no hydrogen 2.945 N/A THR 226.A OG1 ALA 225.A O no hydrogen 2.525 N/A THR 226.A OG1 GLN 346.A OE1 no hydrogen 2.610 N/A ALA 227.A N MET 219.A O no hydrogen 2.944 N/A ILE 228.A N LEU 342.A O no hydrogen 2.751 N/A PHE 229.A N LEU 217.A O no hydrogen 2.683 N/A PHE 230.A N VAL 340.A O no hydrogen 2.695 N/A LEU 231.A N TRP 215.A O no hydrogen 2.845 N/A ASP 233.A N SER 213.A O no hydrogen 3.492 N/A LYS 236.A N ASP 233.A O no hydrogen 2.603 N/A GLN 238.A NE2 ASN 242.A OD1 no hydrogen 3.093 N/A HIS 239.A NE2 LYS 211.A O no hydrogen 3.313 N/A LEU 240.A N LYS 236.A O no hydrogen 2.952 N/A GLU 241.A N LEU 237.A O no hydrogen 3.096 N/A ASN 242.A N HIS 239.A O no hydrogen 2.522 N/A GLU 243.A N HIS 239.A O no hydrogen 2.826 N/A LEU 244.A N LEU 240.A O no hydrogen 3.192 N/A ILE 248.A N THR 245.A O no hydrogen 2.921 N/A ILE 248.A N THR 245.A OG1 no hydrogen 3.306 N/A ILE 249.A N THR 245.A O no hydrogen 3.268 N/A THR 250.A N HIS 246.A O no hydrogen 2.787 N/A THR 250.A OG1 HIS 246.A O no hydrogen 3.359 N/A LYS 251.A N ASP 247.A O no hydrogen 3.257 N/A PHE 252.A N ILE 248.A O no hydrogen 3.044 N/A LEU 253.A N ILE 249.A O no hydrogen 2.865 N/A GLU 254.A N THR 250.A O no hydrogen 3.242 N/A ASN 255.A N LYS 251.A O no hydrogen 3.293 N/A ASN 255.A ND2 ASP 257.A OD2 no hydrogen 2.431 N/A ASP 257.A N ASN 255.A OD1 no hydrogen 3.100 N/A ARG 259.A N PHE 204.A O no hydrogen 2.726 N/A ALA 261.A N GLY 202.A O no hydrogen 3.010 N/A SER 262.A N PRO 331.A O no hydrogen 2.826 N/A LEU 263.A N ARG 200.A O no hydrogen 3.058 N/A HIS 264.A N VAL 333.A O no hydrogen 3.217 N/A LYS 267.A N PRO 196.A O no hydrogen 2.924 N/A SER 269.A OG LEU 315.A O no hydrogen 3.417 N/A ILE 270.A N LEU 315.A O no hydrogen 3.112 N/A GLY 272.A N ALA 313.A O no hydrogen 3.125 N/A TYR 274.A N HIS 311.A O no hydrogen 3.062 N/A LEU 276.A N ALA 309.A O no hydrogen 2.876 N/A LYS 277.A NZ SER 307.A O no hydrogen 3.386 N/A SER 278.A OG ASP 275.A O no hydrogen 3.415 N/A SER 278.A OG ASP 275.A OD2 no hydrogen 3.078 N/A LEU 280.A N LEU 276.A O no hydrogen 2.867 N/A GLY 281.A N LYS 277.A O no hydrogen 2.832 N/A GLN 282.A N SER 278.A O no hydrogen 3.069 N/A LEU 283.A N VAL 279.A O no hydrogen 3.010 N/A GLY 284.A N GLY 281.A O no hydrogen 3.177 N/A ILE 285.A N LEU 280.A O no hydrogen 3.313 N/A THR 286.A N GLU 52.A OE1 no hydrogen 3.036 N/A LYS 287.A N GLU 52.A OE1 no hydrogen 2.581 N/A LYS 287.A NZ GLU 52.A OE2 no hydrogen 3.438 N/A PHE 289.A N THR 286.A O no hydrogen 2.687 N/A SER 290.A N THR 286.A O no hydrogen 2.869 N/A SER 290.A N LYS 287.A O no hydrogen 2.867 N/A SER 290.A OG LYS 287.A O no hydrogen 2.991 N/A ASP 294.A N THR 49.A OG1 no hydrogen 2.687 N/A SER 296.A OG ASP 294.A OD1 no hydrogen 2.418 N/A VAL 298.A N LEU 295.A O no hydrogen 2.621 N/A THR 299.A N LEU 295.A O no hydrogen 3.324 N/A LYS 305.A NZ ASN 291.A OD1 no hydrogen 3.458 N/A LEU 306.A N VAL 288.A O no hydrogen 2.871 N/A SER 307.A N PHE 159.A O no hydrogen 3.095 N/A SER 307.A OG PHE 159.A O no hydrogen 3.160 N/A SER 307.A OG LYS 305.A O no hydrogen 3.254 N/A LYS 308.A NZ ASP 275.A OD1 no hydrogen 3.031 N/A VAL 310.A N LEU 161.A O no hydrogen 2.800 N/A HIS 311.A N TYR 274.A O no hydrogen 3.082 N/A LYS 312.A N ASN 163.A O no hydrogen 2.957 N/A ALA 313.A N GLY 272.A O no hydrogen 3.202 N/A VAL 314.A N ILE 165.A O no hydrogen 2.884 N/A LEU 315.A N ILE 270.A O no hydrogen 2.897 N/A THR 316.A N PHE 167.A O no hydrogen 2.995 N/A ILE 317.A N LEU 268.A O no hydrogen 2.791 N/A LYS 320.A N ASP 318.A OD1 no hydrogen 2.832 N/A THR 322.A N TRP 171.A O no hydrogen 3.432 N/A THR 322.A OG1 GLU 172.A O no hydrogen 2.935 N/A VAL 333.A N SER 262.A O no hydrogen 2.949 N/A PHE 335.A N HIS 264.A O no hydrogen 3.359 N/A LYS 337.A NZ PRO 232.A O no hydrogen 3.001 N/A PHE 339.A N VAL 357.A O no hydrogen 3.214 N/A VAL 340.A N PHE 230.A O no hydrogen 3.103 N/A PHE 341.A N GLY 355.A O no hydrogen 2.904 N/A LEU 342.A N ILE 228.A O no hydrogen 2.843 N/A MET 343.A N PHE 353.A O no hydrogen 2.900 N/A ILE 344.A N THR 226.A O no hydrogen 2.551 N/A GLU 345.A N SER 350.A O no hydrogen 3.002 N/A GLN 346.A NE2 GLN 346.A O no hydrogen 3.026 N/A ASN 347.A N GLU 345.A OE2 no hydrogen 2.756 N/A THR 348.A N GLU 345.A OE1 no hydrogen 2.473 N/A THR 348.A OG1 GLU 345.A OE1 no hydrogen 2.553 N/A THR 348.A OG1 SER 350.A OG no hydrogen 3.097 N/A LYS 349.A N GLU 345.A O no hydrogen 2.608 N/A LYS 349.A NZ GLN 346.A O no hydrogen 2.594 N/A SER 350.A OG THR 348.A OG1 no hydrogen 3.097 N/A LEU 352.A N MET 343.A O no hydrogen 2.805 N/A PHE 353.A N MET 343.A O no hydrogen 3.297 N/A MET 354.A N PHE 29.A O no hydrogen 2.978 N/A GLY 355.A N PHE 341.A O no hydrogen 2.912 N/A LYS 356.A N ILE 27.A O no hydrogen 2.839 N/A VAL 357.A N PHE 339.A O no hydrogen 2.921 N/A VAL 358.A N ASN 26.A OD1 no hydrogen 2.767 N/A ASN 359.A N ASN 26.A OD1 no hydrogen 3.026 N/A THR 361.A N ASN 359.A OD1 no hydrogen 3.189 N/A THR 361.A OG1 ASN 359.A OD1 no hydrogen 2.592 N/A LYS 363.A NZ SER 269.A O no hydrogen 3.536 N/A