Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q9j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ALA 69.A O no hydrogen 2.711 N/A SER 5.A N PHE 2.A O no hydrogen 2.921 N/A SER 5.A OG PHE 2.A O no hydrogen 2.336 N/A ILE 7.A N LEU 67.A O no hydrogen 2.761 N/A ARG 8.A NH1 PRO 149.A O no hydrogen 2.340 N/A ARG 8.A NH2 GLU 14.A OE1 no hydrogen 2.817 N/A LEU 10.A N TRP 65.A O no hydrogen 2.833 N/A SER 11.A N GLU 14.A OE1 no hydrogen 2.885 N/A SER 11.A OG GLU 153.A OE1 no hydrogen 2.790 N/A GLU 14.A N SER 11.A O no hydrogen 2.618 N/A GLU 15.A N SER 11.A O no hydrogen 3.166 N/A PHE 17.A N GLU 14.A O no hydrogen 2.955 N/A ALA 18.A N GLU 15.A O no hydrogen 2.956 N/A GLN 19.A N GLU 15.A O no hydrogen 2.692 N/A TYR 20.A N VAL 16.A O no hydrogen 3.096 N/A GLU 21.A N ALA 18.A O no hydrogen 3.066 N/A VAL 22.A N PHE 17.A O no hydrogen 2.646 N/A THR 24.A N LEU 110.A O no hydrogen 2.725 N/A SER 25.A N GLN 337.A O no hydrogen 2.811 N/A SER 25.A OG GLN 337.A O no hydrogen 2.794 N/A MET 26.A N LEU 108.A O no hydrogen 2.975 N/A THR 27.A N LYS 335.A O no hydrogen 2.957 N/A THR 27.A OG1 THR 107.A OG1 no hydrogen 3.235 N/A ILE 28.A N LEU 106.A O no hydrogen 2.714 N/A GLN 29.A N ASP 333.A O no hydrogen 2.769 N/A GLN 29.A NE2 LEU 30.A O no hydrogen 2.928 N/A LEU 30.A N ALA 104.A O no hydrogen 2.728 N/A ARG 31.A N GLU 330.A O no hydrogen 3.174 N/A GLY 32.A N GLY 102.A O no hydrogen 2.693 N/A ASP 35.A N TYR 131.A OH no hydrogen 2.865 N/A VAL 36.A N ILE 34.A O no hydrogen 2.711 N/A ALA 38.A N ASP 35.A OD2 no hydrogen 3.085 N/A LEU 39.A N ASP 35.A O no hydrogen 3.111 N/A SER 40.A N VAL 36.A O no hydrogen 2.833 N/A ASP 41.A N ASP 37.A O no hydrogen 3.227 N/A ALA 42.A N ALA 38.A O no hydrogen 3.068 N/A PHE 43.A N LEU 39.A O no hydrogen 2.972 N/A ASP 44.A N SER 40.A O no hydrogen 2.901 N/A ALA 45.A N ASP 41.A O no hydrogen 2.775 N/A LEU 46.A N ALA 42.A O no hydrogen 2.791 N/A LEU 47.A N PHE 43.A O no hydrogen 2.975 N/A GLU 48.A N ASP 44.A O no hydrogen 3.131 N/A GLU 48.A N ALA 45.A O no hydrogen 3.087 N/A THR 49.A N ALA 45.A O no hydrogen 3.206 N/A THR 49.A N LEU 46.A O no hydrogen 2.702 N/A THR 49.A OG1 ALA 45.A O no hydrogen 3.212 N/A HIS 50.A N LEU 46.A O no hydrogen 3.093 N/A HIS 50.A N LEU 47.A O no hydrogen 3.303 N/A HIS 50.A NE2 GLU 126.A OE1 no hydrogen 2.899 N/A LEU 53.A N HIS 50.A O no hydrogen 3.040 N/A ALA 54.A N PRO 51.A O no hydrogen 3.302 N/A SER 55.A OG VAL 52.A O no hydrogen 2.983 N/A HIS 56.A N VAL 68.A O no hydrogen 3.014 N/A HIS 56.A ND1 ASP 70.A OD2 no hydrogen 2.713 N/A HIS 56.A NE2 GLU 58.A OE2 no hydrogen 2.641 N/A LEU 57.A N GLN 88.A O no hydrogen 2.982 N/A GLU 58.A N ASN 66.A O no hydrogen 2.796 N/A SER 60.A N GLY 64.A O no hydrogen 2.632 N/A SER 60.A OG GLY 64.A O no hydrogen 2.947 N/A GLY 64.A N ASP 62.A O no hydrogen 2.586 N/A ASN 66.A N GLU 58.A O no hydrogen 2.658 N/A LEU 67.A N ARG 8.A O no hydrogen 3.039 N/A VAL 68.A N HIS 56.A O no hydrogen 2.784 N/A ALA 69.A N SER 5.A O no hydrogen 2.851 N/A ASP 70.A N ALA 54.A O no hydrogen 2.861 N/A CYS 78.A N LEU 95.A O no hydrogen 3.016 N/A ILE 80.A N LEU 97.A O no hydrogen 2.703 N/A GLN 88.A N GLU 21.A OE2 no hydrogen 3.495 N/A SER 89.A N ASP 87.A OD2 no hydrogen 3.215 N/A SER 89.A OG ASP 87.A OD2 no hydrogen 2.708 N/A VAL 90.A N ASP 87.A O no hydrogen 2.909 N/A SER 91.A N ASP 87.A O no hydrogen 2.996 N/A SER 91.A OG LEU 93.A O no hydrogen 2.964 N/A HIS 94.A N TYR 109.A O no hydrogen 3.036 N/A GLN 96.A N THR 107.A O no hydrogen 2.776 N/A LEU 97.A N CYS 78.A O no hydrogen 2.947 N/A ILE 98.A N GLU 105.A O no hydrogen 2.935 N/A LEU 99.A N ILE 80.A O no hydrogen 2.717 N/A GLU 105.A N ILE 98.A O no hydrogen 2.850 N/A LEU 106.A N ILE 28.A O no hydrogen 2.983 N/A THR 107.A N GLN 96.A O no hydrogen 2.949 N/A THR 107.A OG1 THR 27.A OG1 no hydrogen 3.235 N/A LEU 108.A N MET 26.A O no hydrogen 2.910 N/A TYR 109.A N HIS 94.A O no hydrogen 2.784 N/A LEU 110.A N THR 24.A O no hydrogen 2.777 N/A HIS 111.A N LEU 92.A O no hydrogen 2.925 N/A HIS 112.A N VAL 22.A O no hydrogen 3.054 N/A HIS 112.A ND1 HIS 112.A O no hydrogen 2.666 N/A MET 114.A N HIS 111.A O no hydrogen 2.955 N/A ALA 115.A N HIS 112.A O no hydrogen 3.353 N/A HIS 119.A N ASP 116.A OD1 no hydrogen 3.080 N/A GLY 120.A N ASP 116.A O no hydrogen 2.895 N/A ALA 121.A N GLY 117.A O no hydrogen 2.941 N/A VAL 122.A N HIS 118.A O no hydrogen 3.004 N/A LEU 123.A N HIS 119.A O no hydrogen 3.200 N/A VAL 124.A N GLY 120.A O no hydrogen 2.889 N/A ASP 125.A N ALA 121.A O no hydrogen 2.829 N/A GLU 126.A N VAL 122.A O no hydrogen 2.839 N/A LEU 127.A N LEU 123.A O no hydrogen 2.765 N/A PHE 128.A N VAL 124.A O no hydrogen 3.359 N/A SER 129.A N ASP 125.A O no hydrogen 2.919 N/A ARG 130.A N GLU 126.A O no hydrogen 2.850 N/A ARG 130.A NE PRO 140.A O no hydrogen 3.359 N/A ARG 130.A NH1 GLU 126.A OE2 no hydrogen 2.800 N/A ARG 130.A NH2 GLY 141.A O no hydrogen 3.560 N/A TYR 131.A N LEU 127.A O no hydrogen 2.857 N/A THR 132.A N PHE 128.A O no hydrogen 3.051 N/A THR 132.A OG1 PHE 128.A O no hydrogen 3.033 N/A ASP 133.A N SER 129.A O no hydrogen 3.274 N/A ALA 134.A N TYR 131.A O no hydrogen 2.733 N/A VAL 135.A N TYR 131.A O no hydrogen 2.754 N/A THR 136.A N THR 132.A O no hydrogen 2.820 N/A THR 136.A OG1 THR 132.A O no hydrogen 2.842 N/A THR 137.A N ASP 133.A O no hydrogen 3.102 N/A GLY 141.A N ASP 139.A OD1 no hydrogen 3.250 N/A GLN 146.A N THR 49.A O no hydrogen 2.914 N/A LEU 150.A N GLU 250.A O no hydrogen 2.711 N/A ALA 154.A N SER 151.A O no hydrogen 2.786 N/A VAL 155.A N SER 151.A O no hydrogen 2.975 N/A LEU 156.A N MET 152.A O no hydrogen 3.004 N/A ALA 157.A N GLU 153.A O no hydrogen 3.216 N/A GLN 158.A N ALA 154.A O no hydrogen 2.995 N/A ARG 159.A NE VAL 155.A O no hydrogen 3.028 N/A ARG 159.A NH1 PRO 244.A O no hydrogen 2.325 N/A ARG 159.A NH2 PRO 244.A O no hydrogen 2.926 N/A ARG 166.A NH2 ASP 284.A OD2 no hydrogen 2.850 N/A PHE 167.A N ALA 164.A O no hydrogen 3.186 N/A MET 171.A N MET 168.A O no hydrogen 3.340 N/A TYR 172.A N GLY 307.A O no hydrogen 2.914 N/A ALA 173.A N VAL 170.A O no hydrogen 3.264 N/A GLN 179.A N CYS 340.A O no hydrogen 3.199 N/A VAL 181.A N PHE 338.A O no hydrogen 3.056 N/A THR 184.A N HIS 362.A O no hydrogen 2.883 N/A ARG 185.A NH1 ILE 334.A O no hydrogen 3.222 N/A ARG 185.A NH1 GLU 361.A OE1 no hydrogen 2.874 N/A ARG 185.A NH2 ILE 334.A O no hydrogen 3.395 N/A LEU 186.A N ILE 360.A O no hydrogen 3.015 N/A SER 189.A N GLN 192.A OE1 no hydrogen 3.199 N/A SER 189.A OG GLN 192.A OE1 no hydrogen 2.808 N/A GLN 192.A N SER 189.A OG no hydrogen 2.979 N/A THR 193.A N SER 189.A O no hydrogen 2.941 N/A THR 193.A OG1 SER 189.A O no hydrogen 3.097 N/A THR 193.A OG1 GLY 356.A O no hydrogen 3.455 N/A SER 194.A N LYS 190.A O no hydrogen 3.358 N/A SER 194.A OG LYS 190.A O no hydrogen 3.159 N/A ASP 195.A N GLN 191.A O no hydrogen 2.922 N/A LEU 196.A N GLN 192.A O no hydrogen 3.151 N/A MET 197.A N THR 193.A O no hydrogen 2.778 N/A ALA 198.A N SER 194.A O no hydrogen 2.870 N/A PHE 199.A N ASP 195.A O no hydrogen 3.060 N/A ARG 201.A N MET 197.A O no hydrogen 3.171 N/A LEU 205.A N GLY 200.A O no hydrogen 3.279 N/A ALA 209.A N SER 206.A OG no hydrogen 3.249 N/A VAL 210.A N SER 206.A O no hydrogen 2.914 N/A VAL 211.A N LEU 207.A O no hydrogen 2.676 N/A ALA 212.A N ASN 208.A O no hydrogen 3.024 N/A ALA 213.A N ALA 209.A O no hydrogen 3.443 N/A ALA 214.A N VAL 210.A O no hydrogen 2.915 N/A ILE 215.A N VAL 211.A O no hydrogen 2.883 N/A LEU 216.A N ALA 212.A O no hydrogen 2.716 N/A LEU 217.A N ALA 213.A O no hydrogen 2.720 N/A THR 218.A N ALA 214.A O no hydrogen 3.169 N/A THR 218.A OG1 ALA 214.A O no hydrogen 2.960 N/A GLU 219.A N ILE 215.A O no hydrogen 3.022 N/A TRP 220.A N LEU 217.A O no hydrogen 2.785 N/A GLN 221.A N LEU 217.A O no hydrogen 3.166 N/A LEU 222.A N THR 218.A O no hydrogen 3.138 N/A ARG 223.A N TRP 220.A O no hydrogen 3.160 N/A ARG 223.A NE GLU 219.A OE1 no hydrogen 3.163 N/A ARG 223.A NH1 PRO 310.A O no hydrogen 3.135 N/A ARG 223.A NH2 GLU 219.A OE1 no hydrogen 2.991 N/A ARG 223.A NH2 PRO 310.A O no hydrogen 2.835 N/A THR 225.A OG1 ARG 223.A O no hydrogen 2.802 N/A HIS 227.A ND1 HIS 227.A O no hydrogen 2.817 N/A ILE 230.A N ALA 262.A O no hydrogen 2.656 N/A TYR 232.A N TYR 260.A O no hydrogen 2.812 N/A VAL 233.A N VAL 312.A O no hydrogen 3.063 N/A TYR 234.A N ALA 258.A O no hydrogen 3.278 N/A VAL 236.A N GLY 256.A O no hydrogen 2.732 N/A LEU 238.A N LEU 254.A O no hydrogen 3.006 N/A ARG 239.A N ASP 237.A OD1 no hydrogen 3.232 N/A ARG 239.A NE ALA 247.A O no hydrogen 3.422 N/A ARG 239.A NE PRO 248.A O no hydrogen 3.382 N/A ARG 239.A NH1 ASP 116.A OD2 no hydrogen 3.074 N/A ARG 239.A NH1 ASP 237.A OD1 no hydrogen 2.854 N/A ARG 239.A NH2 ASP 116.A OD2 no hydrogen 3.429 N/A ARG 239.A NH2 PRO 248.A O no hydrogen 2.849 N/A PHE 240.A N ASP 237.A O no hydrogen 3.489 N/A VAL 241.A N LEU 238.A O no hydrogen 3.208 N/A LEU 242.A N LEU 238.A O no hydrogen 3.015 N/A VAL 246.A N ARG 239.A O no hydrogen 3.475 N/A ALA 247.A N GLU 250.A OE1 no hydrogen 2.488 N/A THR 249.A OG1 GLN 146.A OE1 no hydrogen 2.780 N/A GLU 250.A N ALA 247.A O no hydrogen 2.840 N/A THR 252.A N LEU 150.A O no hydrogen 2.664 N/A THR 252.A OG1 GLU 14.A OE2 no hydrogen 2.996 N/A THR 252.A OG1 CYS 113.A O no hydrogen 3.531 N/A ASN 253.A ND2 HIS 112.A O no hydrogen 2.697 N/A LEU 254.A N ASP 116.A OD2 no hydrogen 2.715 N/A GLY 256.A N VAL 236.A O no hydrogen 2.615 N/A ALA 257.A N LEU 295.A O no hydrogen 3.277 N/A ALA 258.A N TYR 234.A O no hydrogen 2.993 N/A TYR 260.A OH ASP 276.A OD2 no hydrogen 2.806 N/A ALA 262.A N ILE 230.A O no hydrogen 3.000 N/A GLY 265.A N THR 268.A OG1 no hydrogen 2.693 N/A THR 268.A N GLY 265.A O no hydrogen 3.411 N/A ASP 272.A N ASP 269.A OD1 no hydrogen 3.257 N/A LEU 273.A N ASP 269.A O no hydrogen 2.905 N/A ALA 274.A N ILE 270.A O no hydrogen 2.776 N/A SER 275.A N VAL 271.A O no hydrogen 2.831 N/A SER 275.A OG VAL 271.A O no hydrogen 3.324 N/A ASP 276.A N ASP 272.A O no hydrogen 3.156 N/A ILE 277.A N LEU 273.A O no hydrogen 3.046 N/A VAL 278.A N ALA 274.A O no hydrogen 3.128 N/A ALA 279.A N SER 275.A O no hydrogen 2.906 N/A THR 280.A N ASP 276.A O no hydrogen 2.870 N/A THR 280.A OG1 ASP 276.A O no hydrogen 2.888 N/A LEU 281.A N ILE 277.A O no hydrogen 3.150 N/A ARG 282.A N VAL 278.A O no hydrogen 3.495 N/A ALA 283.A N ALA 279.A O no hydrogen 3.026 N/A ASP 284.A N THR 280.A O no hydrogen 2.970 N/A LEU 285.A N LEU 281.A O no hydrogen 2.856 N/A ALA 286.A N ARG 282.A O no hydrogen 2.929 N/A ASN 287.A N ALA 283.A O no hydrogen 2.953 N/A ASN 287.A N ASP 284.A O no hydrogen 3.154 N/A GLY 288.A N LEU 285.A O no hydrogen 2.962 N/A VAL 289.A N ASP 284.A O no hydrogen 2.835 N/A GLN 291.A N GLN 291.A OE1 no hydrogen 2.528 N/A GLN 291.A NE2 LEU 285.A O no hydrogen 2.975 N/A GLN 292.A N GLY 288.A O no hydrogen 2.922 N/A SER 293.A N VAL 289.A O no hydrogen 2.820 N/A SER 293.A OG VAL 289.A O no hydrogen 3.005 N/A SER 293.A OG ILE 290.A O no hydrogen 3.446 N/A PHE 297.A N LEU 255.A O no hydrogen 2.892 N/A THR 299.A N HIS 296.A O no hydrogen 3.378 N/A THR 299.A OG1 HIS 296.A O no hydrogen 3.136 N/A ALA 300.A N PHE 297.A O no hydrogen 3.052 N/A PHE 301.A N GLY 298.A O no hydrogen 2.967 N/A GLU 302.A N THR 299.A O no hydrogen 2.811 N/A GLY 303.A N ALA 300.A O no hydrogen 3.253 N/A LEU 311.A N THR 304.A OG1 no hydrogen 2.816 N/A VAL 312.A N PRO 231.A O no hydrogen 2.964 N/A CYS 314.A N VAL 233.A O no hydrogen 3.234 N/A THR 315.A N TYR 349.A O no hydrogen 3.051 N/A PHE 320.A N SER 319.A OG no hydrogen 2.589 N/A ARG 324.A NH1 ASP 133.A OD1 no hydrogen 3.347 N/A ARG 324.A NH1 ASP 133.A OD2 no hydrogen 3.191 N/A ARG 324.A NH2 ASP 133.A OD1 no hydrogen 2.898 N/A THR 325.A OG1 LEU 329.A O no hydrogen 3.566 N/A LEU 329.A N PRO 326.A O no hydrogen 3.250 N/A GLU 330.A N ARG 31.A O no hydrogen 3.299 N/A GLU 332.A N GLN 29.A O no hydrogen 2.766 N/A ILE 334.A N ASP 333.A OD1 no hydrogen 2.585 N/A LYS 335.A N THR 27.A O no hydrogen 2.947 N/A LYS 335.A NZ ASP 333.A OD2 no hydrogen 2.654 N/A GLN 337.A N SER 25.A O no hydrogen 3.246 N/A TYR 339.A N PHE 23.A O no hydrogen 2.913 N/A SER 341.A N TYR 20.A O no hydrogen 3.016 N/A SER 343.A OG ILE 342.A O no hydrogen 2.319 N/A LEU 346.A N VAL 344.A O no hydrogen 2.626 N/A LEU 348.A N HIS 363.A O no hydrogen 3.203 N/A TYR 349.A N PHE 313.A O no hydrogen 2.690 N/A TYR 349.A OH GLU 219.A OE2 no hydrogen 2.554 N/A TYR 349.A OH SER 372.A OG no hydrogen 3.017 N/A SER 350.A N GLU 361.A O no hydrogen 2.994 N/A CYS 351.A N THR 315.A O no hydrogen 3.425 N/A CYS 351.A SG ASN 208.A OD1 no hydrogen 3.954 N/A ALA 352.A N ILE 359.A O no hydrogen 3.121 N/A TYR 354.A N GLN 357.A O no hydrogen 2.682 N/A GLN 357.A N TYR 354.A O no hydrogen 2.595 N/A GLN 357.A NE2 ALA 355.A O no hydrogen 3.679 N/A LEU 358.A N THR 193.A OG1 no hydrogen 3.066 N/A ILE 359.A N ALA 352.A O no hydrogen 2.634 N/A ILE 360.A N LEU 186.A O no hydrogen 2.908 N/A GLU 361.A N SER 350.A O no hydrogen 2.873 N/A HIS 362.A N THR 184.A O no hydrogen 3.155 N/A HIS 363.A N LEU 348.A O no hydrogen 2.761 N/A GLY 364.A N PRO 182.A O no hydrogen 2.899 N/A LYS 371.A N GLU 368.A O no hydrogen 2.871 N/A SER 372.A OG TYR 349.A OH no hydrogen 3.017 N/A GLU 374.A N GLY 370.A O no hydrogen 3.197 N/A GLU 374.A N LYS 371.A O no hydrogen 3.159 N/A ALA 375.A N LYS 371.A O no hydrogen 3.141 N/A ILE 376.A N SER 372.A O no hydrogen 2.792 N/A ARG 377.A N LEU 373.A O no hydrogen 2.846 N/A SER 378.A N GLU 374.A O no hydrogen 2.938 N/A LEU 379.A N ALA 375.A O no hydrogen 3.262 N/A LEU 380.A N ILE 376.A O no hydrogen 3.104 N/A LEU 380.A N ARG 377.A O no hydrogen 3.179 N/A CYS 381.A N SER 378.A O no hydrogen 3.129 N/A CYS 381.A SG ARG 377.A O no hydrogen 3.307 N/A THR 382.A OG1 SER 378.A O no hydrogen 2.842 N/A VAL 383.A N LEU 379.A O no hydrogen 3.363 N/A SER 385.A N THR 382.A O no hydrogen 3.146 N/A SER 385.A OG THR 382.A O no hydrogen 2.933 N/A GLU 386.A N THR 382.A O no hydrogen 2.995 N/A TYR 387.A OH ASP 269.A OD1 no hydrogen 2.653 N/A TYR 387.A OH ASP 269.A OD2 no hydrogen 3.022 N/A