Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vyu_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N PHE 1.A O no hydrogen 2.612 N/A ARG 5.A N GLU 2.A O no hydrogen 2.530 N/A ARG 5.A NE GLU 225.A OE1 no hydrogen 2.646 N/A SER 6.A N GLU 2.A O no hydrogen 2.519 N/A GLU 8.A N SER 6.A OG no hydrogen 3.248 N/A ALA 10.A N SER 6.A O no hydrogen 3.118 N/A MET 11.A N ARG 7.A O no hydrogen 2.854 N/A LYS 12.A N GLU 8.A O no hydrogen 2.971 N/A LYS 12.A N VAL 9.A O no hydrogen 3.096 N/A LEU 13.A N VAL 9.A O no hydrogen 2.966 N/A VAL 14.A N ALA 10.A O no hydrogen 2.779 N/A GLU 15.A N MET 11.A O no hydrogen 3.244 N/A LYS 16.A N LYS 12.A O no hydrogen 2.809 N/A ILE 17.A N LEU 13.A O no hydrogen 2.691 N/A ARG 18.A N VAL 14.A O no hydrogen 2.871 N/A GLU 19.A N GLU 15.A O no hydrogen 2.958 N/A GLU 20.A N LYS 16.A O no hydrogen 3.072 N/A ALA 21.A N ILE 17.A O no hydrogen 2.896 N/A LYS 22.A N GLU 19.A O no hydrogen 2.949 N/A THR 23.A N GLU 20.A O no hydrogen 2.973 N/A THR 23.A OG1 GLU 20.A O no hydrogen 3.499 N/A LEU 24.A N ALA 21.A O no hydrogen 3.377 N/A GLY 26.A N LEU 24.A O no hydrogen 3.157 N/A ILE 28.A N ASN 53.A O no hydrogen 2.940 N/A ARG 29.A N GLN 191.A OE1 no hydrogen 2.647 N/A ILE 30.A N LYS 55.A O no hydrogen 2.776 N/A MET 31.A N GLY 192.A O no hydrogen 2.907 N/A HIS 32.A N VAL 57.A O no hydrogen 3.203 N/A THR 36.A OG1 GLU 355.A OE2 no hydrogen 3.559 N/A HIS 37.A N CYS 34.A O no hydrogen 3.068 N/A HIS 37.A NE2 GLY 223.A O no hydrogen 2.590 N/A GLU 38.A N CYS 34.A O no hydrogen 3.243 N/A ASP 39.A N GLY 35.A O no hydrogen 2.946 N/A THR 40.A N THR 36.A O no hydrogen 2.940 N/A THR 40.A OG1 THR 36.A O no hydrogen 3.037 N/A THR 40.A OG1 PHE 224.A O no hydrogen 2.851 N/A VAL 41.A N HIS 37.A O no hydrogen 2.899 N/A THR 42.A N GLU 38.A O no hydrogen 2.863 N/A THR 42.A OG1 GLU 38.A O no hydrogen 3.388 N/A THR 42.A OG1 GLU 38.A OE2 no hydrogen 2.773 N/A ARG 43.A N ASP 39.A O no hydrogen 2.698 N/A ARG 43.A NE ASP 39.A OD1 no hydrogen 3.267 N/A ARG 43.A NH2 ASP 39.A OD1 no hydrogen 3.381 N/A HIS 44.A N THR 40.A O no hydrogen 3.181 N/A HIS 44.A ND1 THR 40.A O no hydrogen 3.070 N/A GLY 45.A N THR 42.A O no hydrogen 3.043 N/A ILE 46.A N VAL 41.A O no hydrogen 2.751 N/A ARG 47.A NE VAL 56.A O no hydrogen 3.057 N/A ARG 47.A NH1 GLU 38.A OE2 no hydrogen 3.129 N/A ARG 47.A NH2 GLU 38.A OE1 no hydrogen 3.097 N/A ARG 47.A NH2 GLU 38.A OE2 no hydrogen 3.523 N/A ARG 47.A NH2 VAL 56.A O no hydrogen 2.756 N/A SER 48.A N GLY 45.A O no hydrogen 3.132 N/A SER 48.A OG GLY 45.A O no hydrogen 2.642 N/A LEU 49.A N ILE 46.A O no hydrogen 2.661 N/A LEU 50.A N ARG 47.A O no hydrogen 3.417 N/A ASN 53.A ND2 ALA 21.A O no hydrogen 2.620 N/A ASN 53.A ND2 GLY 26.A O no hydrogen 3.598 N/A VAL 54.A N PRO 51.A O no hydrogen 3.110 N/A LYS 55.A N ILE 28.A O no hydrogen 2.891 N/A VAL 57.A N ILE 30.A O no hydrogen 2.978 N/A SER 58.A OG HIS 32.A NE2 no hydrogen 3.419 N/A SER 58.A OG GLU 38.A OE1 no hydrogen 2.485 N/A GLY 61.A N GLY 59.A O no hydrogen 2.597 N/A CYS 65.A SG PRO 349.A O no hydrogen 3.949 N/A CYS 65.A SG SER 353.A OG no hydrogen 3.122 N/A ILE 66.A N CYS 62.A O no hydrogen 3.498 N/A THR 67.A N VAL 64.A O no hydrogen 2.993 N/A THR 67.A OG1 PRO 63.A O no hydrogen 2.699 N/A THR 67.A OG1 VAL 64.A O no hydrogen 3.271 N/A ASP 71.A N PRO 68.A O no hydrogen 3.327 N/A ILE 72.A N PRO 68.A O no hydrogen 3.446 N/A VAL 73.A N VAL 69.A O no hydrogen 2.816 N/A ALA 74.A N GLU 70.A O no hydrogen 2.963 N/A MET 75.A N ASP 71.A O no hydrogen 2.845 N/A GLN 76.A N ILE 72.A O no hydrogen 3.212 N/A GLN 76.A NE2 GLY 105.A O no hydrogen 3.134 N/A LEU 77.A N VAL 73.A O no hydrogen 2.945 N/A ILE 78.A N ALA 74.A O no hydrogen 3.087 N/A MET 79.A N MET 75.A O no hydrogen 3.238 N/A ARG 80.A N GLN 76.A O no hydrogen 3.189 N/A ARG 80.A NH1 GLU 113.A OE1 no hydrogen 2.699 N/A ARG 80.A NH2 GLU 113.A OE1 no hydrogen 2.810 N/A ARG 80.A NH2 GLU 113.A OE2 no hydrogen 3.113 N/A LYS 81.A N LEU 77.A O no hydrogen 2.814 N/A ALA 82.A N ILE 78.A O no hydrogen 2.675 N/A ARG 83.A N MET 79.A O no hydrogen 3.228 N/A ARG 83.A NE GLU 88.A OE2 no hydrogen 3.266 N/A ARG 83.A NH2 GLU 88.A OE1 no hydrogen 2.831 N/A GLU 84.A N ARG 80.A O no hydrogen 2.883 N/A GLU 85.A N ALA 82.A O no hydrogen 3.055 N/A GLY 86.A N ARG 83.A O no hydrogen 2.840 N/A GLU 87.A N ALA 82.A O no hydrogen 2.711 N/A ILE 90.A N THR 137.A O no hydrogen 2.929 N/A LEU 91.A N ASP 116.A O no hydrogen 2.885 N/A THR 92.A N VAL 139.A O no hydrogen 2.879 N/A THR 92.A OG1 THR 126.A OG1 no hydrogen 2.378 N/A THR 92.A OG1 VAL 139.A O no hydrogen 3.173 N/A THR 92.A OG1 HIS 140.A ND1 no hydrogen 3.008 N/A THR 93.A N ARG 118.A O no hydrogen 3.256 N/A MET 97.A N ASP 96.A OD1 no hydrogen 2.468 N/A TYR 98.A N PHE 94.A O no hydrogen 3.007 N/A LYS 99.A N ASP 96.A O no hydrogen 2.870 N/A ILE 100.A N ASP 96.A O no hydrogen 3.155 N/A ILE 100.A N MET 97.A O no hydrogen 3.039 N/A THR 102.A OG1 GLY 105.A O no hydrogen 2.531 N/A MET 104.A N THR 102.A OG1 no hydrogen 3.278 N/A GLY 105.A N THR 102.A O no hydrogen 2.760 N/A SER 106.A N ASP 109.A OD2 no hydrogen 2.578 N/A SER 106.A OG ASP 109.A OD2 no hydrogen 3.133 N/A ASP 109.A N SER 106.A O no hydrogen 2.881 N/A LEU 110.A N SER 106.A O no hydrogen 3.299 N/A LEU 110.A N PHE 107.A O no hydrogen 3.171 N/A LYS 111.A N PHE 107.A O no hydrogen 3.157 N/A LYS 111.A N ALA 108.A O no hydrogen 3.183 N/A SER 112.A N ALA 108.A O no hydrogen 3.196 N/A SER 112.A OG ASP 109.A O no hydrogen 2.683 N/A GLU 113.A N LEU 110.A O no hydrogen 3.243 N/A GLY 114.A N LYS 111.A O no hydrogen 3.396 N/A ARG 118.A N LEU 91.A O no hydrogen 2.609 N/A ARG 118.A NE ASP 116.A OD1 no hydrogen 3.111 N/A VAL 120.A N THR 93.A O no hydrogen 3.175 N/A THR 126.A OG1 THR 92.A OG1 no hydrogen 2.378 N/A TYR 127.A N ILE 123.A O no hydrogen 3.096 N/A TYR 127.A OH GLU 162.A OE2 no hydrogen 2.652 N/A ARG 128.A N PHE 124.A O no hydrogen 2.642 N/A ILE 129.A N ASP 125.A O no hydrogen 3.009 N/A ALA 130.A N THR 126.A O no hydrogen 2.896 N/A LYS 131.A N TYR 127.A O no hydrogen 3.495 N/A GLU 132.A N ARG 128.A O no hydrogen 3.405 N/A ASN 133.A N ALA 130.A O no hydrogen 3.062 N/A LYS 136.A N ASN 133.A O no hydrogen 3.150 N/A VAL 138.A N ASN 166.A O no hydrogen 3.254 N/A VAL 139.A N ILE 90.A O no hydrogen 2.742 N/A HIS 140.A N LYS 168.A O no hydrogen 3.037 N/A HIS 140.A ND1 THR 92.A OG1 no hydrogen 3.008 N/A PHE 141.A N THR 92.A O no hydrogen 3.028 N/A SER 142.A N TYR 170.A O no hydrogen 2.974 N/A SER 142.A OG HIS 173.A NE2 no hydrogen 2.817 N/A THR 148.A N PHE 145.A O no hydrogen 2.924 N/A THR 149.A N PHE 145.A O no hydrogen 2.913 N/A THR 149.A N GLU 146.A O no hydrogen 3.223 N/A THR 149.A OG1 GLY 144.A O no hydrogen 3.508 N/A THR 149.A OG1 PHE 145.A O no hydrogen 2.847 N/A THR 149.A OG1 HIS 173.A ND1 no hydrogen 3.208 N/A ALA 150.A N GLU 146.A O no hydrogen 3.255 N/A ALA 153.A N THR 149.A O no hydrogen 2.917 N/A GLY 154.A N PRO 151.A O no hydrogen 3.036 N/A MET 155.A N PRO 151.A O no hydrogen 2.885 N/A MET 155.A N ALA 152.A O no hydrogen 3.057 N/A LEU 156.A N ALA 152.A O no hydrogen 3.077 N/A ALA 160.A N LEU 156.A O no hydrogen 2.833 N/A GLN 161.A N ASN 157.A O no hydrogen 2.837 N/A GLU 163.A N ALA 160.A O no hydrogen 3.064 N/A LEU 164.A N ALA 159.A O no hydrogen 2.735 N/A ASN 166.A ND2 ALA 130.A O no hydrogen 2.710 N/A ASN 166.A ND2 LYS 136.A O no hydrogen 3.492 N/A LYS 168.A N VAL 138.A O no hydrogen 3.198 N/A LYS 168.A NZ GLU 165.A O no hydrogen 2.810 N/A LYS 168.A NZ ASP 297.A O no hydrogen 3.288 N/A ILE 169.A N PHE 298.A O no hydrogen 2.822 N/A TYR 170.A N HIS 140.A O no hydrogen 2.844 N/A TYR 170.A OH ASP 71.A OD2 no hydrogen 2.750 N/A SER 171.A N GLU 299.A OE2 no hydrogen 3.381 N/A SER 171.A OG LEU 289.A O no hydrogen 2.290 N/A VAL 172.A N SER 142.A O no hydrogen 3.016 N/A ARG 174.A N GLY 144.A O no hydrogen 2.887 N/A ARG 174.A NE LYS 277.A O no hydrogen 3.345 N/A ARG 174.A NH1 HIS 173.A O no hydrogen 2.652 N/A ARG 174.A NH2 LYS 277.A O no hydrogen 2.826 N/A LEU 175.A N SER 287.A O no hydrogen 3.015 N/A THR 176.A N GLU 146.A OE2 no hydrogen 3.022 N/A THR 176.A OG1 GLU 146.A OE1 no hydrogen 2.956 N/A VAL 180.A N THR 176.A O no hydrogen 3.285 N/A GLU 181.A N PRO 177.A O no hydrogen 3.214 N/A VAL 182.A N PRO 178.A O no hydrogen 2.867 N/A LEU 183.A N ALA 179.A O no hydrogen 2.966 N/A LEU 184.A N VAL 180.A O no hydrogen 3.237 N/A LYS 185.A N GLU 181.A O no hydrogen 2.992 N/A GLN 186.A N VAL 182.A O no hydrogen 2.899 N/A GLN 186.A N LEU 183.A O no hydrogen 2.964 N/A GLY 187.A N LEU 184.A O no hydrogen 3.365 N/A THR 188.A N LEU 183.A O no hydrogen 3.261 N/A THR 188.A OG1 ARG 326.A O no hydrogen 3.017 N/A GLN 191.A N ARG 29.A O no hydrogen 3.141 N/A LEU 193.A N PRO 218.A O no hydrogen 3.075 N/A ILE 194.A N MET 31.A O no hydrogen 2.659 N/A HIS 198.A NE2 TYR 251.A OH no hydrogen 3.123 N/A SER 200.A N PRO 196.A O no hydrogen 3.122 N/A SER 200.A OG PRO 196.A O no hydrogen 2.939 N/A THR 201.A N HIS 198.A O no hydrogen 3.224 N/A THR 201.A OG1 ALA 254.A O no hydrogen 2.999 N/A ILE 203.A N VAL 199.A O no hydrogen 3.191 N/A LYS 206.A N TYR 257.A O no hydrogen 2.874 N/A LYS 206.A NZ GLU 209.A OE1 no hydrogen 3.173 N/A LYS 206.A NZ TYR 257.A OH no hydrogen 2.984 N/A GLY 207.A N ILE 203.A O no hydrogen 3.163 N/A GLY 207.A N GLY 204.A O no hydrogen 2.910 N/A TRP 208.A N VAL 205.A O no hydrogen 2.638 N/A TRP 208.A NE1 SER 200.A OG no hydrogen 2.671 N/A GLU 209.A N VAL 205.A O no hydrogen 3.093 N/A TYR 210.A OH GLU 181.A OE1 no hydrogen 3.241 N/A LEU 211.A N TRP 208.A O no hydrogen 2.889 N/A THR 212.A OG1 ILE 217.A O no hydrogen 3.363 N/A GLU 213.A N GLU 209.A O no hydrogen 3.169 N/A LYS 214.A N TYR 210.A O no hydrogen 3.124 N/A LYS 214.A NZ GLU 181.A OE2 no hydrogen 3.298 N/A TYR 215.A N LEU 211.A O no hydrogen 2.824 N/A TYR 215.A OH GLU 181.A OE2 no hydrogen 3.075 N/A GLY 216.A N THR 212.A O no hydrogen 2.557 N/A GLN 219.A N ARG 246.A O no hydrogen 3.304 N/A GLN 219.A NE2 TRP 208.A O no hydrogen 3.213 N/A GLN 219.A NE2 THR 212.A OG1 no hydrogen 2.687 N/A VAL 220.A N LEU 193.A O no hydrogen 3.089 N/A VAL 221.A N ILE 248.A O no hydrogen 2.938 N/A GLY 223.A N GLU 250.A OE1 no hydrogen 2.921 N/A GLU 225.A N ASP 228.A OD1 no hydrogen 3.235 N/A ASP 228.A N GLU 225.A O no hydrogen 2.860 N/A VAL 229.A N GLU 225.A O no hydrogen 3.333 N/A LEU 230.A N PRO 226.A O no hydrogen 3.127 N/A MET 231.A N ASN 227.A O no hydrogen 2.731 N/A ALA 232.A N ASP 228.A O no hydrogen 3.004 N/A ILE 233.A N VAL 229.A O no hydrogen 2.833 N/A LEU 234.A N LEU 230.A O no hydrogen 3.202 N/A MET 235.A N MET 231.A O no hydrogen 3.193 N/A LEU 236.A N ALA 232.A O no hydrogen 3.119 N/A ILE 237.A N ILE 233.A O no hydrogen 3.168 N/A ARG 238.A N LEU 234.A O no hydrogen 3.076 N/A ARG 238.A NE GLU 20.A OE2 no hydrogen 2.601 N/A MET 239.A N MET 235.A O no hydrogen 2.785 N/A TYR 240.A N LEU 236.A O no hydrogen 3.075 N/A LYS 241.A N ILE 237.A O no hydrogen 3.320 N/A LYS 241.A NZ GLU 20.A O no hydrogen 2.904 N/A LYS 241.A NZ GLU 20.A OE1 no hydrogen 2.959 N/A LYS 241.A NZ THR 23.A OG1 no hydrogen 2.611 N/A GLU 242.A N ARG 238.A O no hydrogen 2.808 N/A GLU 244.A N MET 239.A O no hydrogen 2.893 N/A ARG 246.A NH2 GLU 244.A OE2 no hydrogen 3.253 N/A ILE 248.A N GLN 219.A O no hydrogen 3.241 N/A GLU 250.A N ILE 248.A O no hydrogen 3.036 N/A TYR 251.A N VAL 221.A O no hydrogen 2.696 N/A TYR 251.A OH HIS 198.A NE2 no hydrogen 3.123 N/A ARG 253.A NH2 ASP 228.A OD1 no hydrogen 2.577 N/A ARG 253.A NH2 ASP 228.A OD2 no hydrogen 3.471 N/A ALA 254.A N TYR 251.A O no hydrogen 3.069 N/A VAL 255.A N GLU 252.A O no hydrogen 3.327 N/A TYR 257.A OH GLU 209.A OE1 no hydrogen 2.479 N/A TYR 257.A OH GLU 209.A OE2 no hydrogen 3.088 N/A GLY 259.A N LYS 256.A O no hydrogen 2.453 N/A ASN 260.A N THR 201.A O no hydrogen 3.169 N/A ALA 263.A N ASN 260.A OD1 no hydrogen 2.457 N/A GLN 264.A N ASN 260.A O no hydrogen 3.328 N/A LYS 265.A N VAL 261.A O no hydrogen 3.012 N/A MET 266.A N VAL 262.A O no hydrogen 2.867 N/A ILE 267.A N ALA 263.A O no hydrogen 2.682 N/A ASP 268.A N GLN 264.A O no hydrogen 2.900 N/A LYS 269.A N MET 266.A O no hydrogen 3.063 N/A LYS 269.A NZ ASN 157.A OD1 no hydrogen 2.544 N/A PHE 271.A N ILE 267.A O no hydrogen 2.897 N/A GLU 272.A N GLU 290.A O no hydrogen 3.125 N/A VAL 274.A N GLY 288.A O no hydrogen 2.987 N/A ALA 276.A N PHE 284.A O no hydrogen 3.037 N/A LYS 277.A NZ GLU 70.A OE1 no hydrogen 3.145 N/A TRP 278.A N GLY 282.A O no hydrogen 2.673 N/A TRP 278.A NE1 SER 287.A OG no hydrogen 2.841 N/A ARG 279.A N ILE 66.A O no hydrogen 2.781 N/A ARG 279.A NE ASP 314.A O no hydrogen 2.931 N/A ARG 279.A NH1 PRO 101.A O no hydrogen 3.481 N/A ARG 279.A NH2 PRO 101.A O no hydrogen 2.785 N/A ARG 279.A NH2 ASP 314.A O no hydrogen 3.060 N/A ALA 280.A N ASP 314.A OD2 no hydrogen 2.740 N/A LEU 281.A N TRP 278.A O no hydrogen 2.776 N/A GLY 282.A N TRP 278.A O no hydrogen 2.830 N/A PHE 284.A N ALA 276.A O no hydrogen 2.858 N/A LYS 286.A N ASP 275.A OD1 no hydrogen 2.888 N/A SER 287.A N VAL 274.A O no hydrogen 3.172 N/A SER 287.A OG PHE 284.A O no hydrogen 2.590 N/A GLY 288.A N VAL 274.A O no hydrogen 2.771 N/A ARG 292.A N PHE 270.A O no hydrogen 2.872 N/A ARG 292.A NE ASP 268.A O no hydrogen 3.110 N/A ARG 292.A NH2 ASP 268.A OD1 no hydrogen 3.553 N/A PHE 298.A N TRP 295.A O no hydrogen 2.949 N/A ARG 301.A NE GLU 299.A OE2 no hydrogen 2.999 N/A ARG 301.A NH2 GLU 299.A OE2 no hydrogen 3.110 N/A SER 302.A N GLU 299.A O no hydrogen 2.804 N/A SER 302.A OG LYS 296.A O no hydrogen 2.273 N/A SER 302.A OG GLU 299.A O no hydrogen 2.644 N/A CYS 319.A N GLU 316.A O no hydrogen 3.045 N/A ALA 323.A N ARG 320.A O no hydrogen 3.161 N/A VAL 324.A N ARG 320.A O no hydrogen 3.188 N/A LEU 325.A N CYS 321.A O no hydrogen 3.017 N/A ARG 326.A NH1 GLN 186.A OE1 no hydrogen 2.684 N/A ARG 326.A NH2 GLN 186.A OE1 no hydrogen 2.701 N/A LEU 328.A N ALA 323.A O no hydrogen 2.954 N/A LEU 330.A N ASP 333.A OD2 no hydrogen 2.795 N/A ASP 333.A N LEU 330.A O no hydrogen 2.821 N/A CYS 334.A N PRO 331.A O no hydrogen 3.277 N/A PHE 337.A N CYS 334.A O no hydrogen 2.971 N/A GLY 338.A N CYS 341.A O no hydrogen 3.098 N/A LYS 339.A N LEU 336.A O no hydrogen 2.960 N/A CYS 341.A N LEU 336.A O no hydrogen 3.067 N/A THR 342.A N HIS 345.A O no hydrogen 3.256 N/A HIS 345.A ND1 THR 340.A O no hydrogen 2.981 N/A HIS 345.A ND1 HIS 345.A O no hydrogen 2.538 N/A CYS 350.A SG CYS 321.A O no hydrogen 3.657 N/A MET 351.A N GLY 348.A O no hydrogen 3.203 N/A VAL 352.A N PRO 349.A O no hydrogen 2.719 N/A SER 353.A N PRO 349.A O no hydrogen 3.066 N/A SER 353.A OG PRO 349.A O no hydrogen 3.461 N/A TYR 354.A N ASP 96.A OD2 no hydrogen 2.895 N/A GLY 356.A N SER 353.A O no hydrogen 2.912 N/A GLN 359.A N CYS 350.A O no hydrogen 3.138 N/A ILE 360.A N GLY 356.A O no hydrogen 3.040 N/A PHE 361.A N THR 357.A O no hydrogen 3.174 N/A TYR 362.A N CYS 358.A O no hydrogen 3.058 N/A LYS 363.A N GLN 359.A O no hydrogen 2.924 N/A TYR 364.A N ILE 360.A O no hydrogen 3.224 N/A TYR 364.A OH ASP 39.A OD1 no hydrogen 3.076 N/A TYR 364.A OH ASP 39.A OD2 no hydrogen 2.738 N/A GLY 365.A N TYR 362.A O no hydrogen 2.804 N/A VAL 366.A N PHE 361.A O no hydrogen 3.014 N/A