Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1j3i_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N ASP 3.A O no hydrogen 3.118 N/A ASP 7.A N GLU 4.A O no hydrogen 3.360 N/A PHE 9.A N GLU 5.A O no hydrogen 3.045 N/A TYR 11.A N ASP 7.A O no hydrogen 3.117 N/A PHE 12.A N ASP 8.A O no hydrogen 3.027 N/A ASN 13.A N VAL 10.A O no hydrogen 3.149 N/A PHE 14.A N TYR 11.A O no hydrogen 2.996 N/A LYS 16.A N ASN 13.A O no hydrogen 3.181 N/A LYS 21.A NZ GLU 20.A O no hydrogen 2.905 N/A LYS 21.A NZ GLU 20.A OE2 no hydrogen 3.204 N/A LYS 23.A N MET 56.A O no hydrogen 3.304 N/A LYS 23.A NZ ASN 59.A OD1 no hydrogen 3.478 N/A ASN 24.A ND2 MET 56.A O no hydrogen 3.381 N/A HIS 27.A N ASP 30.A OD2 no hydrogen 2.922 N/A HIS 27.A ND1 ASP 30.A OD2 no hydrogen 3.284 N/A ASP 30.A N HIS 27.A O no hydrogen 2.852 N/A PHE 31.A N PRO 28.A O no hydrogen 3.367 N/A GLN 32.A N ASN 29.A O no hydrogen 3.381 N/A TYR 34.A N ASN 284.A OD1 no hydrogen 3.093 N/A TYR 34.A OH ASN 49.A OD1 no hydrogen 2.771 N/A ASN 35.A N PHE 31.A O no hydrogen 2.786 N/A ASN 35.A ND2 PHE 31.A O no hydrogen 3.085 N/A SER 36.A N ILE 33.A O no hydrogen 2.871 N/A SER 36.A OG ILE 33.A O no hydrogen 2.714 N/A LYS 40.A NZ TYR 34.A O no hydrogen 2.880 N/A HIS 42.A NE2 TYR 288.A O no hydrogen 2.725 N/A GLU 44.A N HIS 42.A ND1 no hydrogen 2.960 N/A TYR 45.A N HIS 42.A O no hydrogen 2.938 N/A GLN 46.A N PRO 43.A O no hydrogen 2.916 N/A GLN 46.A NE2 PRO 43.A O no hydrogen 3.606 N/A GLN 46.A NE2 LYS 78.A O no hydrogen 2.672 N/A TYR 47.A N GLU 44.A O no hydrogen 3.073 N/A TYR 47.A OH LEU 233.A O no hydrogen 2.600 N/A LEU 48.A N GLU 44.A O no hydrogen 3.140 N/A ASN 49.A N TYR 45.A O no hydrogen 2.757 N/A ILE 50.A N TYR 47.A O no hydrogen 2.902 N/A ILE 51.A N TYR 47.A O no hydrogen 3.074 N/A TYR 52.A N LEU 48.A O no hydrogen 2.941 N/A ASP 53.A N ASN 49.A O no hydrogen 2.879 N/A ILE 54.A N ILE 50.A O no hydrogen 2.905 N/A MET 55.A N ILE 51.A O no hydrogen 2.897 N/A MET 56.A N TYR 52.A O no hydrogen 2.987 N/A ASN 57.A N ASP 53.A O no hydrogen 2.850 N/A ASN 57.A ND2 ASP 53.A O no hydrogen 3.536 N/A ASN 57.A ND2 ASP 53.A OD1 no hydrogen 2.931 N/A GLY 58.A N ILE 54.A O no hydrogen 2.592 N/A ASN 59.A N SER 71.A O no hydrogen 2.827 N/A GLN 61.A N VAL 69.A O no hydrogen 3.001 N/A THR 65.A N ASP 63.A OD2 no hydrogen 2.971 N/A THR 65.A OG1 ASP 63.A OD1 no hydrogen 2.779 N/A THR 65.A OG1 ASP 63.A OD2 no hydrogen 2.555 N/A GLY 66.A N ASP 63.A O no hydrogen 2.734 N/A VAL 67.A N THR 65.A OG1 no hydrogen 3.290 N/A GLY 68.A N ASP 63.A OD1 no hydrogen 3.113 N/A VAL 69.A N GLN 61.A O no hydrogen 2.825 N/A LEU 70.A N VAL 271.A O no hydrogen 2.997 N/A SER 71.A N ASN 59.A O no hydrogen 2.953 N/A SER 71.A OG GLN 61.A OE1 no hydrogen 2.963 N/A LYS 72.A N ALA 269.A O no hydrogen 2.925 N/A GLY 74.A N GLY 267.A O no hydrogen 2.938 N/A TYR 75.A N LEU 266.A O no hydrogen 2.976 N/A TYR 75.A OH ASP 53.A OD2 no hydrogen 2.536 N/A MET 77.A N HIS 264.A O no hydrogen 2.841 N/A LYS 78.A N GLN 46.A OE1 no hydrogen 2.987 N/A PHE 79.A N PHE 262.A O no hydrogen 2.981 N/A ASP 80.A N TYR 84.A OH no hydrogen 2.798 N/A LEU 81.A N ALA 260.A O no hydrogen 2.691 N/A SER 82.A N ASP 80.A OD1 no hydrogen 3.008 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 2.673 N/A GLN 83.A N ASP 80.A O no hydrogen 2.974 N/A GLN 83.A NE2 SER 82.A OG no hydrogen 3.251 N/A TYR 84.A N ASP 80.A O no hydrogen 3.325 N/A PHE 85.A N PRO 291.A O no hydrogen 3.048 N/A LEU 87.A N PHE 85.A O no hydrogen 2.724 N/A THR 89.A N GLU 44.A OE1 no hydrogen 2.806 N/A THR 89.A N GLU 44.A OE2 no hydrogen 3.124 N/A THR 89.A OG1 GLU 44.A OE1 no hydrogen 2.889 N/A THR 90.A N GLU 44.A OE2 no hydrogen 2.981 N/A THR 90.A OG1 GLU 44.A OE2 no hydrogen 2.549 N/A LEU 93.A N TYR 315.A OH no hydrogen 3.111 N/A ARG 96.A NH1 LYS 118.A O no hydrogen 2.913 N/A ARG 96.A NH2 LYS 118.A O no hydrogen 3.352 N/A ARG 96.A NH2 ASN 119.A O no hydrogen 3.288 N/A ILE 99.A N LEU 95.A O no hydrogen 3.042 N/A GLU 100.A N ARG 96.A O no hydrogen 2.969 N/A GLU 101.A N GLY 97.A O no hydrogen 2.812 N/A LEU 102.A N ILE 98.A O no hydrogen 3.039 N/A LEU 103.A N ILE 99.A O no hydrogen 2.901 N/A TRP 104.A N GLU 100.A O no hydrogen 2.867 N/A TRP 104.A NE1 ASN 111.A O no hydrogen 3.070 N/A PHE 105.A N GLU 101.A O no hydrogen 2.793 N/A ILE 106.A N LEU 102.A O no hydrogen 2.965 N/A ARG 107.A N LEU 103.A O no hydrogen 3.026 N/A ARG 107.A NE GLU 109.A OE2 no hydrogen 2.750 N/A ARG 107.A NH2 GLU 109.A OE2 no hydrogen 3.053 N/A GLY 108.A N PHE 105.A O no hydrogen 2.733 N/A GLU 109.A N TRP 104.A O no hydrogen 3.172 N/A THR 110.A OG1 TYR 160.A OH no hydrogen 2.821 N/A GLY 112.A N ASN 143.A O no hydrogen 2.866 N/A ASN 113.A N ASN 111.A OD1 no hydrogen 2.651 N/A THR 114.A N ASN 111.A O no hydrogen 3.121 N/A THR 114.A OG1 GLU 109.A OE1 no hydrogen 2.485 N/A THR 114.A OG1 ASN 111.A O no hydrogen 3.542 N/A LEU 116.A N GLY 112.A O no hydrogen 3.149 N/A ASN 117.A N ASN 113.A O no hydrogen 2.941 N/A LYS 118.A N LEU 115.A O no hydrogen 2.831 N/A ASN 119.A N LEU 116.A O no hydrogen 2.771 N/A VAL 120.A N LEU 115.A O no hydrogen 3.078 N/A ARG 121.A NH1 GLU 124.A OE1 no hydrogen 3.261 N/A TRP 123.A NE1 GLU 101.A OE2 no hydrogen 2.778 N/A GLU 124.A N ARG 121.A O no hydrogen 3.108 N/A GLY 127.A N GLU 124.A O no hydrogen 2.979 N/A ARG 129.A NE ASP 133.A OD1 no hydrogen 3.022 N/A ARG 129.A NE ASP 133.A OD2 no hydrogen 3.519 N/A ARG 129.A NH1 ARG 140.A O no hydrogen 2.926 N/A ARG 129.A NH2 ASP 133.A OD1 no hydrogen 3.090 N/A ARG 129.A NH2 ARG 140.A O no hydrogen 2.989 N/A PHE 131.A N THR 128.A OG1 no hydrogen 2.961 N/A LEU 132.A N THR 128.A O no hydrogen 2.860 N/A ASP 133.A N ARG 129.A O no hydrogen 2.899 N/A ASN 134.A N GLU 130.A O no hydrogen 2.973 N/A ARG 135.A N PHE 131.A O no hydrogen 3.214 N/A ARG 135.A N LEU 132.A O no hydrogen 3.055 N/A ARG 135.A NE MET 204.A O no hydrogen 3.153 N/A ARG 135.A NE ALA 205.A O no hydrogen 2.984 N/A ARG 135.A NH2 MET 204.A O no hydrogen 2.790 N/A LYS 136.A N ASP 133.A O no hydrogen 2.802 N/A LEU 137.A N LEU 132.A O no hydrogen 2.740 N/A ARG 140.A N LEU 137.A O no hydrogen 3.182 N/A ARG 140.A NH1 ASP 144.A O no hydrogen 2.986 N/A ARG 140.A NH1 GLN 203.A O no hydrogen 3.224 N/A ARG 140.A NH2 GLN 203.A O no hydrogen 2.881 N/A ASN 143.A N GLY 127.A O no hydrogen 2.747 N/A ASP 144.A N GLU 141.A O no hydrogen 2.884 N/A LEU 145.A N THR 110.A O no hydrogen 3.206 N/A GLY 146.A N ASP 144.A OD1 no hydrogen 3.297 N/A ILE 148.A N GLY 146.A O no hydrogen 2.799 N/A GLN 152.A N ILE 148.A O no hydrogen 3.105 N/A GLN 152.A NE2 PRO 147.A O no hydrogen 2.879 N/A GLN 152.A NE2 ASP 200.A OD2 no hydrogen 2.939 N/A TRP 153.A N TYR 149.A O no hydrogen 2.839 N/A ARG 154.A N GLY 150.A O no hydrogen 3.174 N/A ARG 154.A NE ASP 173.A OD1 no hydrogen 2.862 N/A ARG 154.A NE ASP 173.A OD2 no hydrogen 3.357 N/A ARG 154.A NH1 ILE 106.A O no hydrogen 2.745 N/A ARG 154.A NH1 GLU 303.A OE2 no hydrogen 3.327 N/A ARG 154.A NH2 ASP 173.A OD2 no hydrogen 2.769 N/A ARG 154.A NH2 GLU 303.A OE2 no hydrogen 3.308 N/A HIS 155.A N PHE 151.A O no hydrogen 2.708 N/A HIS 155.A ND1 LYS 170.A O no hydrogen 2.823 N/A PHE 156.A N VAL 172.A O no hydrogen 3.102 N/A ALA 158.A N HIS 155.A O no hydrogen 2.955 N/A TYR 160.A OH THR 110.A OG1 no hydrogen 2.821 N/A TYR 160.A OH ASP 144.A OD1 no hydrogen 2.507 N/A THR 161.A N TYR 167.A OH no hydrogen 2.951 N/A THR 161.A OG1 ASP 165.A OD2 no hydrogen 2.720 N/A THR 161.A OG1 TYR 167.A OH no hydrogen 3.090 N/A ASN 162.A N THR 161.A OG1 no hydrogen 2.704 N/A MET 163.A N ASP 144.A OD2 no hydrogen 2.759 N/A TYR 164.A N ASN 162.A OD1 no hydrogen 2.708 N/A ASP 165.A N ASN 162.A O no hydrogen 3.149 N/A ASN 166.A N ASP 165.A OD1 no hydrogen 2.753 N/A TYR 167.A OH THR 161.A OG1 no hydrogen 3.090 N/A TYR 167.A OH ASN 162.A O no hydrogen 2.810 N/A GLU 168.A N ASN 166.A OD1 no hydrogen 2.978 N/A LYS 170.A N TYR 167.A O no hydrogen 2.942 N/A VAL 172.A N PHE 156.A O no hydrogen 2.699 N/A GLN 174.A NE2 GLN 152.A O no hydrogen 2.644 N/A GLN 174.A NE2 CYS 194.A O no hydrogen 2.786 N/A LEU 175.A N TRP 153.A O no hydrogen 3.054 N/A LYS 176.A N ASP 173.A OD1 no hydrogen 3.052 N/A LYS 176.A NZ GLU 303.A OE1 no hydrogen 2.915 N/A ASN 177.A N ASP 173.A O no hydrogen 3.006 N/A ILE 178.A N GLN 174.A O no hydrogen 2.839 N/A ILE 179.A N LEU 175.A O no hydrogen 3.111 N/A ASN 180.A N LYS 176.A O no hydrogen 3.083 N/A LEU 181.A N ASN 177.A O no hydrogen 3.010 N/A ILE 182.A N ILE 178.A O no hydrogen 2.920 N/A LYS 183.A N ILE 179.A O no hydrogen 3.035 N/A ASN 184.A N ASN 180.A O no hydrogen 2.771 N/A ASP 185.A N LEU 181.A O no hydrogen 2.792 N/A SER 188.A N ASP 185.A O no hydrogen 2.880 N/A ARG 190.A N SER 188.A OG no hydrogen 3.143 N/A LEU 192.A N ARG 190.A O no hydrogen 3.004 N/A LEU 193.A N CYS 213.A O no hydrogen 2.837 N/A CYS 194.A N GLN 174.A OE1 no hydrogen 2.843 N/A CYS 194.A SG TRP 196.A O no hydrogen 4.000 N/A CYS 194.A SG ILE 211.A O no hydrogen 3.939 N/A ALA 195.A N ILE 211.A O no hydrogen 2.965 N/A ASN 197.A N ALA 195.A O no hydrogen 2.931 N/A ASN 197.A ND2 GLN 152.A OE1 no hydrogen 2.911 N/A LYS 199.A N ASN 197.A OD1 no hydrogen 3.298 N/A ASP 200.A N ASN 197.A O no hydrogen 2.913 N/A GLN 203.A N ASP 200.A O no hydrogen 3.006 N/A MET 204.A N LEU 201.A O no hydrogen 2.915 N/A ALA 205.A N LEU 145.A O no hydrogen 2.954 N/A CYS 209.A N TYR 149.A OH no hydrogen 2.888 N/A CYS 209.A SG SER 230.A O no hydrogen 3.983 N/A HIS 210.A N TYR 149.A OH no hydrogen 3.209 N/A ILE 211.A N TYR 227.A O no hydrogen 2.989 N/A CYS 213.A N LEU 193.A O no hydrogen 2.939 N/A GLN 214.A N ILE 225.A O no hydrogen 2.769 N/A PHE 215.A N ILE 191.A O no hydrogen 2.910 N/A TYR 216.A N SER 223.A O no hydrogen 2.888 N/A PHE 218.A N LYS 221.A O no hydrogen 2.972 N/A LYS 221.A N PHE 218.A O no hydrogen 2.687 N/A LEU 222.A N GLN 258.A O no hydrogen 2.864 N/A SER 223.A N TYR 216.A O no hydrogen 2.858 N/A CYS 224.A N GLN 261.A O no hydrogen 2.873 N/A CYS 224.A SG ILE 225.A O no hydrogen 3.742 N/A ILE 225.A N GLN 214.A O no hydrogen 2.867 N/A MET 226.A N ILE 263.A O no hydrogen 2.866 N/A TYR 227.A N LEU 212.A O no hydrogen 2.950 N/A GLN 228.A N VAL 265.A O no hydrogen 2.749 N/A GLN 228.A NE2 SER 230.A O no hydrogen 3.081 N/A GLN 228.A NE2 ASN 240.A OD1 no hydrogen 2.889 N/A ARG 229.A N CYS 209.A O no hydrogen 2.918 N/A ARG 229.A NE PRO 208.A O no hydrogen 2.730 N/A ARG 229.A NH2 PRO 207.A O no hydrogen 3.045 N/A ARG 229.A NH2 PRO 208.A O no hydrogen 3.370 N/A CYS 231.A N ASN 268.A O no hydrogen 2.727 N/A CYS 231.A SG GLN 228.A O no hydrogen 3.428 N/A CYS 231.A SG ASN 268.A O no hydrogen 3.748 N/A LEU 233.A N HIS 270.A O no hydrogen 2.907 N/A LEU 235.A N ASP 232.A OD1 no hydrogen 3.279 N/A VAL 237.A N ASP 232.A O no hydrogen 3.005 N/A ASN 240.A N GLY 236.A O no hydrogen 2.984 N/A ILE 241.A N VAL 237.A O no hydrogen 2.990 N/A ALA 242.A N PRO 238.A O no hydrogen 3.488 N/A SER 243.A N PHE 239.A O no hydrogen 2.803 N/A SER 243.A OG PHE 239.A O no hydrogen 3.296 N/A TYR 244.A N ASN 240.A O no hydrogen 3.088 N/A SER 245.A N ILE 241.A O no hydrogen 3.132 N/A SER 245.A OG ILE 241.A O no hydrogen 2.763 N/A ILE 246.A N ALA 242.A O no hydrogen 3.025 N/A PHE 247.A N SER 243.A O no hydrogen 2.978 N/A THR 248.A N TYR 244.A O no hydrogen 2.890 N/A THR 248.A OG1 TYR 244.A O no hydrogen 2.616 N/A HIS 249.A N SER 245.A O no hydrogen 3.029 N/A MET 250.A N ILE 246.A O no hydrogen 2.820 N/A ILE 251.A N PHE 247.A O no hydrogen 2.854 N/A ALA 252.A N THR 248.A O no hydrogen 2.922 N/A GLN 253.A N HIS 249.A O no hydrogen 2.908 N/A GLN 253.A NE2 ASN 296.A O no hydrogen 2.762 N/A GLN 253.A NE2 ILE 299.A O no hydrogen 2.972 N/A VAL 254.A N MET 250.A O no hydrogen 3.091 N/A CYS 255.A N ALA 252.A O no hydrogen 3.032 N/A CYS 255.A SG ILE 179.A O no hydrogen 3.925 N/A CYS 255.A SG ILE 251.A O no hydrogen 3.296 N/A ASN 256.A N GLN 253.A O no hydrogen 3.026 N/A LEU 257.A N ALA 252.A O no hydrogen 2.892 N/A GLN 258.A N GLY 220.A O no hydrogen 2.970 N/A ALA 260.A N LEU 222.A O no hydrogen 2.672 N/A GLN 261.A N SER 223.A OG no hydrogen 2.978 N/A PHE 262.A N PHE 79.A O no hydrogen 2.977 N/A ILE 263.A N CYS 224.A O no hydrogen 2.610 N/A HIS 264.A N MET 77.A O no hydrogen 2.781 N/A HIS 264.A NE2 GLN 228.A OE1 no hydrogen 2.759 N/A VAL 265.A N MET 226.A O no hydrogen 2.885 N/A LEU 266.A N TYR 75.A O no hydrogen 2.787 N/A GLY 267.A N GLN 228.A O no hydrogen 2.758 N/A ASN 268.A N ARG 229.A O no hydrogen 3.053 N/A ALA 269.A N LYS 72.A O no hydrogen 2.986 N/A HIS 270.A N CYS 231.A O no hydrogen 2.907 N/A HIS 270.A ND1 ASN 268.A OD1 no hydrogen 3.011 N/A VAL 271.A N LEU 70.A O no hydrogen 2.917 N/A ASN 273.A N GLY 68.A O no hydrogen 3.187 N/A ASN 273.A ND2 VAL 67.A O no hydrogen 3.004 N/A ASN 274.A ND2 ASP 324.A O no hydrogen 3.480 N/A HIS 275.A N TYR 272.A O no hydrogen 2.870 N/A ILE 276.A N ASN 273.A O no hydrogen 3.263 N/A SER 278.A OG SER 322.A O no hydrogen 3.149 N/A LEU 279.A N HIS 275.A O no hydrogen 3.000 N/A LYS 280.A N ILE 276.A O no hydrogen 2.983 N/A LYS 280.A NZ ASP 30.A OD2 no hydrogen 3.307 N/A ILE 281.A N ASP 277.A O no hydrogen 3.284 N/A GLN 282.A N SER 278.A O no hydrogen 2.962 N/A GLN 282.A NE2 THR 90.A OG1 no hydrogen 2.902 N/A LEU 283.A N LEU 279.A O no hydrogen 2.972 N/A ASN 284.A N ILE 281.A O no hydrogen 3.192 N/A ASN 284.A ND2 ASP 30.A O no hydrogen 2.899 N/A ARG 285.A N GLN 282.A O no hydrogen 3.074 N/A ARG 285.A NH1 THR 90.A O no hydrogen 3.172 N/A ARG 285.A NH1 GLU 319.A O no hydrogen 2.723 N/A TYR 288.A N THR 89.A OG1 no hydrogen 2.962 N/A THR 292.A N GLN 313.A O no hydrogen 3.043 N/A LYS 294.A N THR 311.A O no hydrogen 2.743 N/A ASN 296.A N ASP 309.A O no hydrogen 3.019 N/A ASN 296.A ND2 ASP 309.A OD1 no hydrogen 2.850 N/A ASP 298.A N ASN 296.A OD1 no hydrogen 2.913 N/A ILE 299.A N ASN 296.A O no hydrogen 3.382 N/A LYS 300.A NZ GLN 253.A O no hydrogen 3.215 N/A LYS 300.A NZ ASN 256.A OD1 no hydrogen 2.957 N/A ASN 301.A ND2 ASP 304.A OD2 no hydrogen 3.304 N/A ASP 304.A N ASN 301.A O no hydrogen 2.828 N/A THR 306.A N ASP 309.A OD2 no hydrogen 2.764 N/A THR 306.A OG1 ASP 309.A OD2 no hydrogen 2.725 N/A ASP 309.A N THR 306.A O no hydrogen 2.896 N/A THR 311.A N LYS 294.A O no hydrogen 2.849 N/A GLN 313.A N THR 292.A O no hydrogen 2.896 N/A TYR 315.A OH LEU 88.A O no hydrogen 2.767 N/A HIS 317.A ND1 HIS 318.A O no hydrogen 2.556 N/A HIS 318.A N THR 89.A O no hydrogen 2.883 N/A HIS 318.A NE2 ILE 286.A O no hydrogen 2.686 N/A