Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N SER 3.A OG no hydrogen 3.174 N/A GLN 6.A NE2 VAL 1.A O no hydrogen 3.197 N/A ILE 7.A N SER 3.A O no hydrogen 3.025 N/A LEU 8.A N TRP 4.A O no hydrogen 2.817 N/A GLY 9.A N PRO 5.A O no hydrogen 3.023 N/A ARG 10.A N GLN 6.A O no hydrogen 3.057 N/A ARG 10.A NE ASP 16.A O no hydrogen 2.791 N/A ARG 10.A NH2 ASP 16.A O no hydrogen 3.361 N/A LEU 11.A N ILE 7.A O no hydrogen 3.048 N/A THR 12.A N LEU 8.A O no hydrogen 2.818 N/A THR 12.A OG1 LEU 8.A O no hydrogen 3.332 N/A THR 12.A OG1 GLY 9.A O no hydrogen 3.406 N/A ASP 13.A N GLY 9.A O no hydrogen 3.008 N/A ASN 14.A N LEU 11.A O no hydrogen 2.715 N/A ARG 15.A N ARG 10.A O no hydrogen 2.915 N/A LEU 17.A N GLU 55.A OE2 no hydrogen 2.720 N/A ALA 18.A N GLN 21.A OE1 no hydrogen 2.745 N/A GLY 20.A N GLU 58.A OE1 no hydrogen 3.189 N/A GLY 20.A N GLU 58.A OE2 no hydrogen 2.778 N/A GLN 21.A N ALA 18.A O no hydrogen 2.870 N/A GLN 21.A NE2 GLN 6.A OE1 no hydrogen 3.187 N/A ALA 23.A N GLU 58.A OE1 no hydrogen 2.861 N/A TRP 24.A N GLY 20.A O no hydrogen 2.960 N/A ALA 25.A N GLN 21.A O no hydrogen 3.020 N/A MET 26.A N ALA 22.A O no hydrogen 2.911 N/A ASP 27.A N ALA 23.A O no hydrogen 2.908 N/A GLN 28.A N TRP 24.A O no hydrogen 2.891 N/A ILE 29.A N ALA 25.A O no hydrogen 2.977 N/A MET 30.A N MET 26.A O no hydrogen 2.802 N/A THR 31.A N ASP 27.A O no hydrogen 2.986 N/A THR 31.A N GLN 28.A O no hydrogen 3.394 N/A THR 31.A OG1 ASP 27.A O no hydrogen 2.869 N/A THR 31.A OG1 GLN 28.A O no hydrogen 3.321 N/A THR 31.A OG1 ASN 33.A OD1 no hydrogen 2.769 N/A GLY 32.A N ILE 29.A O no hydrogen 3.492 N/A ASN 33.A N GLN 28.A O no hydrogen 2.885 N/A ARG 35.A N GLN 38.A OE1 no hydrogen 2.918 N/A ILE 39.A N ARG 35.A O no hydrogen 2.924 N/A ALA 40.A N PRO 36.A O no hydrogen 2.904 N/A ALA 41.A N ALA 37.A O no hydrogen 2.852 N/A PHE 42.A N GLN 38.A O no hydrogen 2.978 N/A ALA 43.A N ILE 39.A O no hydrogen 2.925 N/A VAL 44.A N ALA 40.A O no hydrogen 2.996 N/A ALA 45.A N ALA 41.A O no hydrogen 2.928 N/A MET 46.A N PHE 42.A O no hydrogen 2.793 N/A THR 47.A N ALA 43.A O no hydrogen 3.158 N/A THR 47.A OG1 ALA 43.A O no hydrogen 2.655 N/A MET 48.A N VAL 44.A O no hydrogen 2.949 N/A LYS 49.A N ALA 45.A O no hydrogen 3.011 N/A LYS 49.A NZ ASP 16.A OD1 no hydrogen 2.850 N/A LYS 49.A NZ ALA 50.A O no hydrogen 2.849 N/A LYS 49.A NZ GLU 55.A OE1 no hydrogen 2.599 N/A LYS 49.A NZ GLU 55.A OE2 no hydrogen 3.205 N/A ALA 50.A N MET 46.A O no hydrogen 3.116 N/A THR 52.A N GLU 55.A OE1 no hydrogen 3.060 N/A GLU 55.A N THR 52.A OG1 no hydrogen 3.304 N/A VAL 56.A N THR 52.A O no hydrogen 3.005 N/A GLY 57.A N ALA 53.A O no hydrogen 2.834 N/A GLU 58.A N ASP 54.A O no hydrogen 3.137 N/A LEU 59.A N GLU 55.A O no hydrogen 3.037 N/A ALA 60.A N VAL 56.A O no hydrogen 2.915 N/A GLY 61.A N GLY 57.A O no hydrogen 2.847 N/A VAL 62.A N GLU 58.A O no hydrogen 2.985 N/A MET 63.A N LEU 59.A O no hydrogen 3.001 N/A LEU 64.A N ALA 60.A O no hydrogen 2.829 N/A SER 65.A N GLY 61.A O no hydrogen 3.076 N/A SER 65.A N VAL 62.A O no hydrogen 3.007 N/A SER 65.A OG VAL 62.A O no hydrogen 2.567 N/A HIS 66.A N MET 63.A O no hydrogen 3.017 N/A HIS 66.A NE2 ASP 27.A OD1 no hydrogen 3.109 N/A ALA 67.A N LEU 64.A O no hydrogen 3.082 N/A HIS 68.A N PHE 158.A O no hydrogen 2.787 N/A THR 74.A N PRO 71.A O no hydrogen 3.195 N/A THR 74.A OG1 PRO 71.A O no hydrogen 2.576 N/A ALA 79.A N PRO 76.A O no hydrogen 3.130 N/A VAL 80.A N PRO 109.A O no hydrogen 2.915 N/A ASP 81.A N ALA 192.A O no hydrogen 2.963 N/A VAL 83.A N LEU 194.A O no hydrogen 3.024 N/A THR 85.A N GLY 196.A O no hydrogen 2.949 N/A THR 85.A OG1 GLY 196.A O no hydrogen 3.225 N/A GLY 86.A N ASP 227.A OD2 no hydrogen 3.047 N/A GLY 87.A N VAL 90.A O no hydrogen 3.011 N/A THR 92.A OG1 ASP 227.A OD1 no hydrogen 2.651 N/A THR 92.A OG1 ASP 227.A OD2 no hydrogen 3.306 N/A THR 92.A OG1 GLU 228.A OE2 no hydrogen 2.760 N/A VAL 93.A N ASN 91.A OD1 no hydrogen 3.285 N/A SER 96.A N THR 92.A O no hydrogen 2.908 N/A SER 96.A OG THR 92.A O no hydrogen 3.512 N/A SER 96.A OG GLU 228.A OE2 no hydrogen 2.400 N/A THR 97.A N VAL 93.A O no hydrogen 2.941 N/A THR 97.A OG1 VAL 93.A O no hydrogen 2.727 N/A MET 98.A N ASN 94.A O no hydrogen 3.232 N/A ALA 99.A N LEU 95.A O no hydrogen 2.877 N/A ALA 100.A N SER 96.A O no hydrogen 3.022 N/A ILE 101.A N THR 97.A O no hydrogen 3.143 N/A VAL 102.A N MET 98.A O no hydrogen 3.021 N/A VAL 103.A N ALA 99.A O no hydrogen 2.857 N/A ALA 104.A N ALA 100.A O no hydrogen 3.109 N/A ALA 105.A N ILE 101.A O no hydrogen 2.984 N/A ALA 106.A N VAL 102.A O no hydrogen 2.949 N/A ALA 106.A N VAL 103.A O no hydrogen 3.135 N/A GLY 107.A N ALA 104.A O no hydrogen 2.981 N/A VAL 108.A N VAL 103.A O no hydrogen 3.264 N/A VAL 110.A N GLY 149.A O no hydrogen 3.218 N/A VAL 111.A N VAL 80.A O no hydrogen 2.887 N/A LYS 112.A N GLY 151.A O no hydrogen 2.960 N/A LYS 112.A NZ VAL 82.A O no hydrogen 2.506 N/A HIS 113.A ND1 GLY 182.A O no hydrogen 2.920 N/A GLY 114.A N CYS 153.A O no hydrogen 3.100 N/A ARG 116.A NH1 GLU 128.A OE1 no hydrogen 2.766 N/A ARG 116.A NH1 GLU 128.A OE2 no hydrogen 2.730 N/A ALA 117.A N ASP 125.A OD2 no hydrogen 3.141 N/A THR 126.A OG1 GLY 122.A O no hydrogen 3.235 N/A GLU 128.A N ALA 124.A O no hydrogen 2.804 N/A ALA 129.A N ASP 125.A O no hydrogen 2.857 N/A LEU 130.A N THR 126.A O no hydrogen 3.006 N/A LEU 130.A N LEU 127.A O no hydrogen 2.943 N/A GLY 131.A N GLU 128.A O no hydrogen 2.933 N/A VAL 132.A N LEU 127.A O no hydrogen 3.036 N/A LEU 136.A N ILE 134.A O no hydrogen 3.178 N/A LEU 140.A N GLY 137.A O no hydrogen 3.004 N/A VAL 141.A N GLY 137.A O no hydrogen 3.145 N/A ALA 142.A N PRO 138.A O no hydrogen 3.121 N/A ARG 143.A N ASP 139.A O no hydrogen 3.252 N/A ARG 143.A NE GLU 147.A OE2 no hydrogen 2.967 N/A ARG 143.A NH2 GLU 147.A OE1 no hydrogen 3.356 N/A ARG 143.A NH2 GLU 147.A OE2 no hydrogen 3.459 N/A SER 144.A N LEU 140.A O no hydrogen 2.842 N/A SER 144.A OG ILE 150.A O no hydrogen 2.756 N/A LEU 145.A N VAL 141.A O no hydrogen 2.887 N/A ALA 146.A N ALA 142.A O no hydrogen 3.070 N/A GLU 147.A N ARG 143.A O no hydrogen 2.820 N/A VAL 148.A N SER 144.A O no hydrogen 2.760 N/A GLY 149.A N LEU 145.A O no hydrogen 2.907 N/A GLY 151.A N VAL 110.A O no hydrogen 3.138 N/A CYS 153.A N LYS 112.A O no hydrogen 2.804 N/A ALA 155.A N GLY 114.A O no hydrogen 2.721 N/A ARG 157.A N PHE 154.A O no hydrogen 2.836 N/A ARG 157.A NE ASP 135.A OD1.B no hydrogen 3.125 N/A ARG 157.A NH2 ASP 135.A OD1.B no hydrogen 3.306 N/A PHE 158.A N PHE 154.A O no hydrogen 3.221 N/A HIS 159.A N ALA 155.A O no hydrogen 2.876 N/A TYR 162.A N HIS 159.A O no hydrogen 3.024 N/A ARG 163.A N PRO 160.A O no hydrogen 3.290 N/A ARG 163.A NH1 PRO 160.A O no hydrogen 3.165 N/A ALA 166.A N TYR 162.A O no hydrogen 2.962 N/A ALA 167.A N ARG 163.A O no hydrogen 3.086 N/A VAL 168.A N HIS 164.A O no hydrogen 3.304 N/A ARG 169.A N ALA 165.A O no hydrogen 2.872 N/A ARG 169.A NH1 TYR 162.A OH no hydrogen 3.087 N/A ARG 170.A N ALA 166.A O no hydrogen 2.987 N/A GLU 171.A N ALA 167.A O no hydrogen 2.904 N/A ILE 172.A N VAL 168.A O no hydrogen 3.024 N/A GLY 173.A N ARG 169.A O no hydrogen 2.903 N/A VAL 174.A N ILE 172.A O no hydrogen 2.651 N/A VAL 177.A N THR 47.A OG1 no hydrogen 2.933 N/A PHE 178.A N THR 176.A OG1 no hydrogen 3.014 N/A ASN 179.A N THR 176.A O no hydrogen 2.787 N/A ASN 179.A ND2 THR 176.A O no hydrogen 3.228 N/A LEU 180.A N VAL 177.A O no hydrogen 3.021 N/A LEU 181.A N PHE 178.A O no hydrogen 3.225 N/A LEU 184.A N LEU 181.A O no hydrogen 3.006 N/A THR 185.A N GLY 182.A O no hydrogen 3.329 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.532 N/A THR 185.A OG1 GLY 182.A O no hydrogen 3.554 N/A ASN 186.A ND2 ASP 81.A OD2 no hydrogen 3.075 N/A ASN 186.A ND2 VAL 111.A O no hydrogen 2.858 N/A ALA 188.A N ASN 186.A OD1 no hydrogen 2.898 N/A ARG 189.A N ASN 186.A O no hydrogen 2.824 N/A ARG 191.A NH1 ASP 77.A O no hydrogen 3.042 N/A GLY 193.A N SER 216.A O no hydrogen 3.355 N/A LEU 194.A N ASP 81.A O no hydrogen 2.905 N/A ILE 195.A N LEU 218.A O no hydrogen 2.952 N/A GLY 196.A N VAL 83.A O no hydrogen 2.644 N/A CYS 197.A N VAL 220.A O no hydrogen 2.839 N/A CYS 197.A SG THR 85.A OG1 no hydrogen 3.575 N/A CYS 197.A SG PHE 199.A O no hydrogen 3.598 N/A LEU 202.A N ASP 201.A OD1 no hydrogen 2.654 N/A ALA 203.A N PHE 199.A O no hydrogen 2.888 N/A GLU 204.A N ALA 200.A O no hydrogen 3.280 N/A VAL 205.A N ASP 201.A O no hydrogen 3.455 N/A MET 206.A N LEU 202.A O no hydrogen 2.871 N/A ALA 207.A N ALA 203.A O no hydrogen 2.848 N/A GLY 208.A N GLU 204.A O no hydrogen 2.987 N/A VAL 209.A N VAL 205.A O no hydrogen 3.120 N/A PHE 210.A N MET 206.A O no hydrogen 3.056 N/A ALA 211.A N ALA 207.A O no hydrogen 2.915 N/A ALA 212.A N GLY 208.A O no hydrogen 3.325 N/A ARG 213.A N PHE 210.A O no hydrogen 2.911 N/A ARG 213.A NH1 LEU 184.A O no hydrogen 3.266 N/A ARG 213.A NH2 LEU 184.A O no hydrogen 2.805 N/A ARG 214.A N ALA 211.A O no hydrogen 3.439 N/A SER 216.A N ARG 191.A O no hydrogen 2.784 N/A SER 216.A OG ALA 302.A O no hydrogen 2.614 N/A VAL 217.A N VAL 240.A O no hydrogen 2.913 N/A LEU 218.A N GLY 193.A O no hydrogen 3.052 N/A VAL 219.A N TRP 238.A O no hydrogen 3.018 N/A VAL 220.A N ILE 195.A O no hydrogen 2.957 N/A HIS 221.A N THR 236.A O no hydrogen 3.024 N/A HIS 221.A ND1 CYS 197.A O no hydrogen 2.800 N/A GLY 222.A N LEU 226.A O no hydrogen 2.881 N/A ASP 223.A N THR 234.A O no hydrogen 2.845 N/A GLY 225.A N GLY 222.A O no hydrogen 2.749 N/A LEU 226.A N ASP 224.A OD1 no hydrogen 3.009 N/A LEU 229.A N ASN 295.A OD1 no hydrogen 2.770 N/A THR 230.A N SER 235.A OG no hydrogen 3.240 N/A THR 230.A OG1 ASP 224.A OD2 no hydrogen 2.864 N/A THR 230.A OG1 THR 232.A OG1 no hydrogen 3.232 N/A THR 232.A N THR 230.A OG1 no hydrogen 3.065 N/A THR 232.A OG1 ASP 224.A OD2 no hydrogen 2.774 N/A THR 232.A OG1 THR 230.A OG1 no hydrogen 3.232 N/A THR 234.A N THR 233.A OG1 no hydrogen 2.733 N/A THR 234.A OG1 ASP 223.A OD2 no hydrogen 2.633 N/A SER 235.A N PHE 250.A O no hydrogen 3.034 N/A THR 236.A N HIS 221.A O no hydrogen 2.717 N/A THR 236.A OG1 ASP 223.A OD1 no hydrogen 2.859 N/A ILE 237.A N LEU 248.A O no hydrogen 2.925 N/A TRP 238.A N VAL 219.A O no hydrogen 2.926 N/A TRP 238.A NE1 GLU 204.A OE2 no hydrogen 2.694 N/A ARG 239.A N ASP 246.A O no hydrogen 2.813 N/A ARG 239.A NH2 ASP 246.A OD2 no hydrogen 2.968 N/A VAL 240.A N VAL 217.A O no hydrogen 2.815 N/A ALA 241.A N SER 244.A O no hydrogen 3.057 N/A SER 244.A N ALA 241.A O no hydrogen 2.977 N/A ASP 246.A N ARG 239.A O no hydrogen 2.748 N/A LEU 248.A N ILE 237.A O no hydrogen 2.906 N/A PHE 250.A N SER 235.A O no hydrogen 2.806 N/A ALA 253.A N ASP 251.A OD1 no hydrogen 3.005 N/A GLY 254.A N ASP 251.A O no hydrogen 3.059 N/A PHE 255.A N PRO 252.A O no hydrogen 2.731 N/A GLY 256.A N ALA 253.A O no hydrogen 2.834 N/A PHE 257.A N PRO 252.A O no hydrogen 3.327 N/A ARG 259.A NH1 ASP 251.A OD1 no hydrogen 2.924 N/A ARG 259.A NH2 ASP 251.A OD1 no hydrogen 3.262 N/A ARG 259.A NH2 ASP 251.A OD2 no hydrogen 3.067 N/A ALA 260.A N THR 231.A O no hydrogen 3.090 N/A GLN 261.A N GLN 264.A OE1 no hydrogen 2.724 N/A GLN 264.A N GLN 261.A O no hydrogen 3.158 N/A GLY 267.A N ASN 91.A O no hydrogen 2.967 N/A GLY 268.A N ASN 273.A OD1 no hydrogen 2.982 N/A GLN 271.A N ASP 269.A OD2 no hydrogen 3.005 N/A ASN 273.A N ASP 269.A O no hydrogen 2.907 N/A ASN 273.A ND2 THR 126.A OG1 no hydrogen 3.000 N/A ALA 274.A N ALA 270.A O no hydrogen 2.857 N/A ALA 275.A N GLN 271.A O no hydrogen 3.031 N/A ALA 276.A N ALA 272.A O no hydrogen 3.139 N/A VAL 277.A N ASN 273.A O no hydrogen 3.032 N/A ARG 278.A N.A ALA 274.A O no hydrogen 3.086 N/A ARG 278.A N.B ALA 274.A O no hydrogen 3.129 N/A ALA 279.A N ALA 275.A O no hydrogen 3.108 N/A VAL 280.A N ALA 276.A O no hydrogen 3.048 N/A LEU 281.A N VAL 277.A O no hydrogen 2.990 N/A GLY 282.A N ALA 279.A O no hydrogen 3.048 N/A GLY 283.A N VAL 280.A O no hydrogen 2.999 N/A ALA 284.A N ALA 279.A O no hydrogen 2.963 N/A ARG 285.A NH1 GLY 283.A O no hydrogen 2.790 N/A ARG 289.A NH1 ASP 328.A OD1 no hydrogen 2.993 N/A ARG 289.A NH2 ASP 328.A OD1 no hydrogen 2.816 N/A ARG 289.A NH2 ASP 328.A OD2 no hydrogen 3.210 N/A ASP 290.A N GLY 286.A O no hydrogen 3.180 N/A ALA 291.A N PRO 287.A O no hydrogen 3.026 N/A VAL 292.A N VAL 288.A O no hydrogen 2.903 N/A VAL 293.A N ARG 289.A O no hydrogen 2.793 N/A LEU 294.A N ASP 290.A O no hydrogen 2.941 N/A ASN 295.A N ALA 291.A O no hydrogen 2.915 N/A ASN 295.A ND2 LEU 229.A O no hydrogen 3.018 N/A ASN 295.A ND2 ALA 291.A O no hydrogen 2.704 N/A ALA 296.A N VAL 292.A O no hydrogen 2.800 N/A ALA 297.A N VAL 293.A O no hydrogen 2.845 N/A GLY 298.A N LEU 294.A O no hydrogen 3.131 N/A ALA 299.A N ASN 295.A O no hydrogen 3.065 N/A ILE 300.A N ALA 296.A O no hydrogen 2.883 N/A VAL 301.A N ALA 297.A O no hydrogen 2.872 N/A ALA 302.A N GLY 298.A O no hydrogen 2.902 N/A HIS 303.A N ALA 299.A O no hydrogen 2.958 N/A HIS 303.A NE2 ASP 78.A OD2 no hydrogen 2.616 N/A ALA 304.A N ILE 300.A O no hydrogen 2.839 N/A GLY 305.A N VAL 301.A O no hydrogen 2.961 N/A LEU 306.A N HIS 303.A O no hydrogen 2.998 N/A SER 308.A OG SER 308.A O no hydrogen 2.261 N/A ARG 309.A N SER 307.A O no hydrogen 3.256 N/A ALA 315.A N GLU 311.A O no hydrogen 2.867 N/A TRP 316.A N TRP 312.A O no hydrogen 2.977 N/A GLU 317.A N LEU 313.A O no hydrogen 3.011 N/A GLU 318.A N PRO 314.A O no hydrogen 2.930 N/A GLY 319.A N ALA 315.A O no hydrogen 2.858 N/A LEU 320.A N TRP 316.A O no hydrogen 2.836 N/A ARG 321.A N.A GLU 317.A O no hydrogen 3.197 N/A ARG 321.A N.B GLU 317.A O no hydrogen 3.186 N/A ARG 322.A N GLU 318.A O no hydrogen 2.896 N/A ARG 322.A NH1 GLU 318.A OE2 no hydrogen 3.121 N/A ARG 322.A NH2 ALA 106.A O no hydrogen 2.839 N/A ALA 323.A N GLY 319.A O no hydrogen 2.813 N/A SER 324.A N LEU 320.A O no hydrogen 3.014 N/A SER 324.A OG LEU 320.A O no hydrogen 3.049 N/A ALA 325.A N ARG 321.A O.A no hydrogen 2.898 N/A ALA 325.A N ARG 321.A O.B no hydrogen 2.921 N/A ALA 326.A N ARG 322.A O no hydrogen 3.027 N/A ILE 327.A N ALA 323.A O no hydrogen 3.314 N/A ASP 328.A N SER 324.A O no hydrogen 2.976 N/A THR 329.A N ALA 325.A O no hydrogen 2.985 N/A THR 329.A OG1 ALA 325.A O no hydrogen 2.686 N/A GLY 330.A N ILE 327.A O no hydrogen 2.884 N/A ALA 332.A N ALA 326.A O no hydrogen 2.837 N/A GLN 334.A N GLY 330.A O no hydrogen 2.821 N/A LEU 335.A N ALA 331.A O no hydrogen 2.808 N/A LEU 336.A N ALA 332.A O no hydrogen 2.997 N/A ALA 337.A N GLU 333.A O no hydrogen 3.066 N/A ARG 338.A N GLN 334.A O no hydrogen 2.959 N/A TRP 339.A N LEU 335.A O no hydrogen 2.885 N/A VAL 340.A N LEU 336.A O no hydrogen 2.983 N/A ARG 341.A N ALA 337.A O no hydrogen 2.923 N/A PHE 342.A N ARG 338.A O no hydrogen 2.919 N/A GLY 343.A N TRP 339.A O no hydrogen 3.209 N/A ARG 344.A N VAL 340.A O no hydrogen 3.145 N/A GLN 345.A N ARG 341.A O no hydrogen 2.840 N/A