Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q12_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 21.A O no hydrogen 3.160 N/A GLN 4.A N ASP 56.A O no hydrogen 3.083 N/A THR 7.A N SER 54.A O no hydrogen 2.830 N/A THR 7.A OG1 ASN 5.A O no hydrogen 2.812 N/A ALA 9.A N THR 53.A OG1 no hydrogen 2.972 N/A TRP 10.A N VAL 13.A O no hydrogen 2.760 N/A VAL 13.A N TRP 10.A O no hydrogen 3.263 N/A VAL 15.A N LYS 8.A O no hydrogen 2.646 N/A SER 16.A OG VAL 15.A O no hydrogen 2.456 N/A LYS 17.A NZ ASP 18.A OD1 no hydrogen 3.549 N/A ILE 19.A N VAL 6.A O no hydrogen 2.870 N/A ASN 20.A ND2 ASP 18.A O no hydrogen 3.365 N/A LEU 21.A N LEU 3.A O no hydrogen 3.271 N/A HIS 24.A N GLU 27.A OE2 no hydrogen 3.021 N/A GLY 26.A N THR 183.A OG1 no hydrogen 2.810 N/A GLU 27.A N HIS 24.A O no hydrogen 3.240 N/A PHE 28.A N ASP 199.A OD2 no hydrogen 2.991 N/A VAL 29.A N MET 184.A O no hydrogen 2.905 N/A VAL 30.A N LYS 200.A O no hydrogen 3.150 N/A PHE 31.A N TYR 186.A O no hydrogen 2.772 N/A VAL 32.A N VAL 202.A O no hydrogen 3.011 N/A CYS 37.A SG PRO 34.A O no hydrogen 3.123 N/A CYS 37.A SG LEU 204.A O no hydrogen 3.929 N/A LYS 39.A NZ GLY 33.A O no hydrogen 3.191 N/A LYS 39.A NZ PRO 34.A O no hydrogen 3.348 N/A SER 40.A OG ASP 155.A OD2 no hydrogen 3.111 N/A LEU 42.A N GLY 38.A O no hydrogen 3.149 N/A LEU 43.A N LYS 39.A O no hydrogen 3.164 N/A ARG 44.A N SER 40.A O no hydrogen 2.761 N/A ARG 44.A NE GLU 50.A OE1 no hydrogen 2.564 N/A ARG 44.A NH2 GLU 50.A OE2 no hydrogen 3.229 N/A MET 45.A N LEU 42.A O no hydrogen 3.385 N/A GLY 48.A N ARG 44.A O no hydrogen 3.004 N/A GLU 50.A N ARG 44.A O no hydrogen 2.924 N/A SER 54.A N THR 7.A O no hydrogen 3.007 N/A ASP 56.A N GLN 4.A O no hydrogen 2.983 N/A PHE 58.A N GLN 2.A O no hydrogen 2.729 N/A LYS 62.A N ILE 59.A O no hydrogen 3.281 N/A ARG 63.A NE ASP 56.A OD1 no hydrogen 2.678 N/A ARG 63.A NH1 ASP 66.A OD2 no hydrogen 3.147 N/A MET 64.A N LEU 57.A O no hydrogen 2.970 N/A THR 67.A N MET 64.A O no hydrogen 2.984 N/A GLU 71.A N PRO 68.A O no hydrogen 3.175 N/A ARG 72.A NE THR 67.A O no hydrogen 3.351 N/A ARG 72.A NH1 MET 45.A O no hydrogen 3.012 N/A ARG 72.A NH2 THR 67.A O no hydrogen 3.157 N/A GLY 75.A N VAL 151.A O no hydrogen 2.821 N/A VAL 77.A N LEU 153.A O no hydrogen 2.873 N/A LEU 87.A N TYR 84.A O no hydrogen 2.847 N/A VAL 89.A N ARG 126.A O no hydrogen 2.654 N/A ALA 90.A N LEU 124.A O no hydrogen 2.841 N/A GLU 91.A N SER 88.A OG no hydrogen 3.048 N/A ASN 92.A N SER 88.A O no hydrogen 2.812 N/A SER 94.A OG ALA 90.A O no hydrogen 2.809 N/A SER 94.A OG GLU 91.A O no hydrogen 2.413 N/A SER 94.A OG ASN 92.A O no hydrogen 3.447 N/A PHE 95.A N GLU 91.A O no hydrogen 3.097 N/A ILE 107.A N LYS 103.A O no hydrogen 2.825 N/A ASN 108.A ND2 LYS 104.A O no hydrogen 3.429 N/A ARG 110.A NH1 VAL 146.A O no hydrogen 3.172 N/A ASN 112.A N GLN 109.A O no hydrogen 2.925 N/A ASN 112.A ND2 ASN 108.A O no hydrogen 2.565 N/A GLN 113.A N GLN 109.A O no hydrogen 2.973 N/A VAL 114.A N ARG 110.A O no hydrogen 3.047 N/A ALA 115.A N VAL 111.A O no hydrogen 3.203 N/A VAL 117.A N GLN 113.A O no hydrogen 3.463 N/A LEU 118.A N VAL 114.A O no hydrogen 3.062 N/A GLN 119.A N GLU 116.A O no hydrogen 2.858 N/A GLN 119.A NE2 GLN 168.A OE1 no hydrogen 2.850 N/A LEU 120.A N ALA 115.A O no hydrogen 2.793 N/A LEU 123.A N LEU 120.A O no hydrogen 2.541 N/A ARG 126.A N LEU 123.A O no hydrogen 2.929 N/A ARG 126.A NE ALA 130.A O no hydrogen 2.981 N/A ALA 130.A N LYS 127.A O no hydrogen 2.572 N/A LEU 131.A N PRO 128.A O no hydrogen 3.217 N/A ARG 136.A N SER 132.A O no hydrogen 2.749 N/A ARG 136.A NH1 PRO 128.A O no hydrogen 3.025 N/A GLN 137.A N GLY 133.A O no hydrogen 2.883 N/A GLN 137.A NE2 SER 159.A OG no hydrogen 3.315 N/A ARG 138.A N GLY 134.A O no hydrogen 3.270 N/A ARG 138.A N GLN 135.A O no hydrogen 2.868 N/A ARG 138.A NE LEU 118.A O no hydrogen 3.225 N/A ARG 138.A NH2 GLN 119.A O no hydrogen 3.376 N/A VAL 139.A N GLN 135.A O no hydrogen 3.017 N/A ALA 140.A N ARG 136.A O no hydrogen 2.918 N/A ILE 141.A N GLN 137.A O no hydrogen 3.147 N/A GLY 142.A N ARG 138.A O no hydrogen 2.728 N/A ARG 143.A N VAL 139.A O no hydrogen 3.008 N/A THR 144.A OG1 MET 76.A O no hydrogen 3.250 N/A LEU 145.A N ILE 141.A O no hydrogen 2.817 N/A VAL 146.A N GLY 142.A O no hydrogen 2.829 N/A ALA 147.A N ARG 143.A O no hydrogen 3.003 N/A GLU 148.A N LEU 145.A O no hydrogen 2.779 N/A SER 150.A N GLY 73.A O no hydrogen 3.286 N/A SER 150.A OG GLY 73.A O no hydrogen 2.810 N/A VAL 151.A N GLY 73.A O no hydrogen 3.121 N/A PHE 152.A N THR 183.A O no hydrogen 2.909 N/A LEU 153.A N GLY 75.A O no hydrogen 3.016 N/A LEU 154.A N ILE 185.A O no hydrogen 2.927 N/A ASP 155.A N VAL 77.A O no hydrogen 2.917 N/A GLU 156.A N VAL 187.A O no hydrogen 2.644 N/A SER 159.A OG GLN 137.A OE1 no hydrogen 3.122 N/A LEU 165.A N ASP 162.A OD2 no hydrogen 2.656 N/A ARG 166.A N ASP 162.A O no hydrogen 2.825 N/A ARG 166.A NE GLU 193.A OE2 no hydrogen 2.617 N/A ARG 166.A NH2 GLU 193.A OE1 no hydrogen 3.135 N/A ARG 166.A NH2 GLU 193.A OE2 no hydrogen 3.052 N/A VAL 167.A N ALA 163.A O no hydrogen 3.054 N/A GLN 168.A N ALA 164.A O no hydrogen 3.034 N/A MET 169.A N LEU 165.A O no hydrogen 2.893 N/A ARG 170.A N ARG 166.A O no hydrogen 2.947 N/A ARG 170.A NE GLU 193.A OE2 no hydrogen 2.843 N/A ARG 170.A NH2 GLU 193.A OE2 no hydrogen 3.231 N/A ILE 171.A N VAL 167.A O no hydrogen 3.247 N/A ILE 171.A N GLN 168.A O no hydrogen 2.993 N/A GLU 172.A N GLN 168.A O no hydrogen 2.954 N/A ILE 173.A N MET 169.A O no hydrogen 2.751 N/A SER 174.A N ARG 170.A O no hydrogen 3.131 N/A ARG 175.A N ILE 171.A O no hydrogen 2.863 N/A LEU 176.A N GLU 172.A O no hydrogen 2.758 N/A HIS 177.A N ILE 173.A O no hydrogen 3.071 N/A HIS 177.A NE2 GLY 26.A O no hydrogen 2.651 N/A LYS 178.A N SER 174.A O no hydrogen 3.163 N/A LYS 178.A N ARG 175.A O no hydrogen 2.910 N/A ARG 179.A N ARG 175.A O no hydrogen 2.803 N/A LEU 180.A N LEU 176.A O no hydrogen 3.314 N/A ARG 182.A NH1 PRO 149.A O no hydrogen 2.469 N/A MET 184.A N GLU 27.A O no hydrogen 3.067 N/A ILE 185.A N PHE 152.A O no hydrogen 2.853 N/A TYR 186.A N VAL 29.A O no hydrogen 2.917 N/A TYR 186.A OH GLU 193.A OE1 no hydrogen 2.628 N/A VAL 187.A N LEU 154.A O no hydrogen 2.730 N/A THR 188.A N PHE 31.A O no hydrogen 3.345 N/A THR 188.A OG1 GLU 156.A OE1 no hydrogen 2.651 N/A THR 188.A OG1 GLU 193.A OE1 no hydrogen 3.279 N/A HIS 189.A N GLU 156.A OE2 no hydrogen 3.155 N/A ASP 190.A N THR 188.A OG1 no hydrogen 3.225 N/A GLN 191.A NE2 PHE 230.A O no hydrogen 2.722 N/A GLU 193.A N ASP 190.A OD1 no hydrogen 2.906 N/A ALA 194.A N ASP 190.A O no hydrogen 3.061 N/A MET 195.A N GLN 191.A O no hydrogen 3.001 N/A THR 196.A N VAL 192.A O no hydrogen 2.944 N/A THR 196.A OG1 VAL 192.A O no hydrogen 2.577 N/A LEU 197.A N GLU 193.A O no hydrogen 2.917 N/A ALA 198.A N ALA 194.A O no hydrogen 3.001 N/A ASP 199.A N PHE 28.A O no hydrogen 2.983 N/A LYS 200.A NZ ASP 22.A O no hydrogen 3.091 N/A LYS 200.A NZ GLU 27.A OE2 no hydrogen 3.459 N/A ILE 201.A N GLY 213.A O no hydrogen 2.661 N/A VAL 202.A N VAL 30.A O no hydrogen 2.866 N/A VAL 203.A N GLN 211.A O no hydrogen 2.820 N/A LEU 204.A N VAL 32.A O no hydrogen 2.873 N/A ASP 205.A N ARG 208.A O no hydrogen 2.757 N/A GLY 207.A N CYS 37.A O no hydrogen 2.864 N/A ARG 208.A N ASP 205.A O no hydrogen 3.057 N/A ALA 210.A N VAL 203.A O no hydrogen 2.775 N/A GLN 211.A N VAL 203.A O no hydrogen 3.418 N/A GLN 211.A NE2 TYR 221.A O no hydrogen 3.467 N/A GLY 213.A N ILE 201.A O no hydrogen 3.056 N/A LYS 214.A N GLU 217.A OE1 no hydrogen 3.171 N/A GLU 217.A N LYS 214.A O no hydrogen 2.938 N/A LEU 218.A N LYS 214.A O no hydrogen 3.151 N/A LEU 218.A N PRO 215.A O no hydrogen 3.051 N/A TYR 219.A N PRO 215.A O no hydrogen 3.074 N/A TYR 219.A OH GLU 285.A OE1 no hydrogen 3.404 N/A TYR 219.A OH HIS 286.A NE2 no hydrogen 3.294 N/A HIS 220.A N LEU 216.A O no hydrogen 3.101 N/A TYR 221.A N GLU 217.A O no hydrogen 3.031 N/A TYR 221.A OH HIS 363.A O no hydrogen 2.684 N/A ALA 223.A N GLN 211.A OE1 no hydrogen 2.747 N/A ARG 225.A N GLY 356.A O no hydrogen 2.828 N/A ARG 225.A NE SER 279.A OG no hydrogen 3.048 N/A VAL 227.A N ASP 224.A OD1 no hydrogen 2.697 N/A ALA 228.A N ASP 224.A O no hydrogen 2.944 N/A GLY 229.A N ARG 225.A O no hydrogen 2.735 N/A PHE 230.A N VAL 227.A O no hydrogen 2.784 N/A ILE 231.A N VAL 227.A O no hydrogen 2.820 N/A GLY 232.A N GLN 191.A OE1 no hydrogen 2.690 N/A ASN 237.A N ILE 282.A O no hydrogen 2.815 N/A ASN 237.A ND2 ILE 282.A O no hydrogen 3.239 N/A ASN 237.A ND2 VAL 325.A O no hydrogen 2.889 N/A LEU 239.A N LEU 280.A O no hydrogen 2.827 N/A VAL 241.A N MET 278.A O no hydrogen 2.962 N/A LYS 242.A N GLU 254.A O no hydrogen 3.245 N/A LYS 242.A NZ GLY 275.A O no hydrogen 2.819 N/A VAL 243.A N ALA 276.A O no hydrogen 3.165 N/A THR 244.A N GLN 252.A O no hydrogen 2.849 N/A THR 244.A OG1 GLN 252.A O no hydrogen 3.512 N/A ALA 245.A N GLN 252.A O no hydrogen 3.409 N/A GLN 252.A N ALA 245.A O no hydrogen 2.729 N/A VAL 253.A N VAL 263.A O no hydrogen 2.971 N/A GLU 254.A N LYS 242.A O no hydrogen 2.621 N/A LEU 255.A N GLN 261.A O no hydrogen 2.892 N/A ARG 260.A N MET 257.A O no hydrogen 2.657 N/A GLN 262.A NE2 GLU 254.A OE2 no hydrogen 3.531 N/A VAL 263.A N VAL 253.A O no hydrogen 2.937 N/A LEU 265.A N VAL 251.A O no hydrogen 3.006 N/A GLU 268.A N ARG 360.A O no hydrogen 2.628 N/A SER 269.A OG THR 246.A OG1 no hydrogen 3.387 N/A SER 269.A OG ALA 247.A O no hydrogen 3.114 N/A SER 269.A OG ILE 248.A O no hydrogen 3.324 N/A VAL 272.A N SER 269.A O no hydrogen 3.095 N/A GLY 275.A N VAL 243.A O no hydrogen 2.931 N/A ALA 276.A N GLN 273.A O no hydrogen 3.167 N/A ASN 277.A N GLU 354.A OE2 no hydrogen 3.097 N/A MET 278.A N VAL 241.A O no hydrogen 2.989 N/A SER 279.A N PHE 352.A O no hydrogen 2.886 N/A LEU 280.A N LEU 239.A O no hydrogen 2.812 N/A GLY 281.A N HIS 350.A O no hydrogen 2.824 N/A ILE 282.A N ASN 237.A O no hydrogen 3.159 N/A ARG 283.A NE TYR 219.A O no hydrogen 3.438 N/A ARG 283.A NH1 ILE 231.A O no hydrogen 2.772 N/A ARG 283.A NH2 TYR 219.A O no hydrogen 2.886 N/A ARG 283.A NH2 ILE 231.A O no hydrogen 3.234 N/A GLU 285.A N GLU 285.A OE2 no hydrogen 2.857 N/A HIS 286.A N ARG 283.A O no hydrogen 2.852 N/A LEU 288.A N GLY 343.A O no hydrogen 2.738 N/A ILE 292.A N ASP 291.A OD2 no hydrogen 2.739 N/A LEU 297.A N ILE 342.A O no hydrogen 3.004 N/A GLY 299.A N PHE 340.A O no hydrogen 2.937 N/A GLU 300.A N GLN 316.A O no hydrogen 2.717 N/A VAL 301.A N ALA 338.A O no hydrogen 2.945 N/A GLN 302.A N HIS 314.A O no hydrogen 2.751 N/A GLN 302.A NE2 GLU 300.A O no hydrogen 2.672 N/A GLU 305.A N GLN 312.A O no hydrogen 2.917 N/A LEU 307.A N GLU 310.A O no hydrogen 3.043 N/A ASN 309.A ND2 GLU 310.A OE1 no hydrogen 3.111 N/A THR 311.A N GLN 328.A O no hydrogen 2.770 N/A THR 311.A OG1 ASP 330.A O no hydrogen 3.168 N/A GLN 312.A N GLU 305.A O no hydrogen 3.062 N/A GLN 312.A NE2 GLU 310.A OE2 no hydrogen 3.570 N/A ILE 313.A N TYR 326.A O no hydrogen 2.894 N/A HIS 314.A N VAL 303.A O no hydrogen 2.852 N/A ILE 315.A N LEU 324.A O no hydrogen 2.844 N/A GLN 316.A N GLU 300.A O no hydrogen 2.825 N/A SER 319.A OG PRO 318.A O no hydrogen 2.298 N/A LEU 324.A N ILE 315.A O no hydrogen 2.916 N/A VAL 325.A N ASN 237.A OD1 no hydrogen 2.713 N/A TYR 326.A N ILE 313.A O no hydrogen 3.175 N/A ARG 327.A N PRO 284.A O no hydrogen 3.013 N/A ARG 327.A NE GLU 310.A OE2 no hydrogen 2.628 N/A ARG 327.A NH1 GLU 285.A OE1 no hydrogen 3.450 N/A ARG 327.A NH2 GLU 310.A OE1 no hydrogen 2.955 N/A ARG 327.A NH2 GLU 310.A OE2 no hydrogen 3.060 N/A GLN 328.A N THR 311.A O no hydrogen 2.968 N/A GLN 328.A NE2 TYR 326.A OH no hydrogen 3.139 N/A ASP 330.A N ASN 309.A O no hydrogen 2.928 N/A VAL 332.A N THR 311.A OG1 no hydrogen 3.050 N/A ALA 338.A N GLU 335.A O no hydrogen 2.794 N/A PHE 340.A N GLY 299.A O no hydrogen 2.980 N/A ILE 342.A N LEU 297.A O no hydrogen 3.169 N/A GLY 343.A N LEU 288.A O no hydrogen 2.509 N/A LEU 344.A N VAL 295.A O no hydrogen 3.106 N/A ARG 348.A N PRO 345.A O no hydrogen 3.103 N/A ARG 348.A NE GLU 365.A OE2 no hydrogen 3.006 N/A ARG 348.A NH2 GLU 365.A OE1 no hydrogen 3.015 N/A CYS 349.A N PRO 346.A O no hydrogen 3.112 N/A CYS 349.A SG PRO 345.A O no hydrogen 3.378 N/A HIS 350.A N GLY 281.A O no hydrogen 2.818 N/A PHE 352.A N SER 279.A O no hydrogen 2.736 N/A ARG 353.A N THR 357.A O no hydrogen 2.881 N/A ARG 353.A NE ASP 271.A O no hydrogen 3.000 N/A ARG 353.A NH1 THR 357.A O no hydrogen 3.430 N/A ARG 353.A NH1 THR 357.A OG1 no hydrogen 2.817 N/A ARG 353.A NH1 ALA 358.A O no hydrogen 3.154 N/A ARG 353.A NH2 ARG 270.A O no hydrogen 2.457 N/A GLY 356.A N ARG 353.A O no hydrogen 2.879 N/A THR 357.A N ASP 355.A OD1 no hydrogen 2.709 N/A THR 357.A OG1 ASP 355.A OD1 no hydrogen 2.933 N/A ALA 358.A N ALA 223.A O no hydrogen 2.969 N/A CYS 359.A N LEU 351.A O no hydrogen 2.818 N/A ARG 361.A NE HIS 220.A O no hydrogen 3.038 N/A ARG 361.A NH1 GLU 347.A O no hydrogen 2.986 N/A ARG 361.A NH1 GLU 365.A OE2 no hydrogen 3.340 N/A ARG 361.A NH2 HIS 220.A O no hydrogen 2.821 N/A ARG 361.A NH2 GLU 365.A OE2 no hydrogen 3.501 N/A LEU 362.A N PRO 266.A O no hydrogen 3.213 N/A LYS 364.A NZ LEU 362.A O no hydrogen 3.054 N/A GLU 365.A N TYR 221.A OH no hydrogen 3.070 N/A