Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qci_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 249.A O no hydrogen 2.740 N/A VAL 6.A N SER 247.A O no hydrogen 2.900 N/A GLN 8.A N PRO 5.A O no hydrogen 3.016 N/A HIS 12.A N GLN 8.A O no hydrogen 3.001 N/A ILE 13.A N PHE 9.A O no hydrogen 2.936 N/A GLY 14.A N VAL 10.A O no hydrogen 3.369 N/A GLU 15.A N LYS 11.A O no hydrogen 3.274 N/A LEU 16.A N HIS 12.A O no hydrogen 2.898 N/A TYR 17.A N ILE 13.A O no hydrogen 2.944 N/A TYR 17.A OH ASP 277.A OD1 no hydrogen 2.674 N/A SER 18.A N GLY 14.A O no hydrogen 3.081 N/A SER 18.A N GLU 15.A O no hydrogen 3.323 N/A SER 18.A OG GLU 15.A O no hydrogen 2.857 N/A GLN 21.A N TYR 17.A O no hydrogen 2.746 N/A GLN 21.A N SER 18.A O no hydrogen 3.041 N/A GLN 21.A NE2 TYR 17.A O no hydrogen 2.792 N/A HIS 22.A N ASN 19.A O no hydrogen 3.283 N/A PHE 24.A N LEU 16.A O no hydrogen 3.135 N/A SER 25.A N GLN 21.A O no hydrogen 2.871 N/A SER 25.A OG.A GLN 21.A O no hydrogen 3.369 N/A SER 25.A OG.A GLU 269.A OE1 no hydrogen 3.004 N/A SER 25.A OG.A GLU 269.A OE2 no hydrogen 2.969 N/A SER 25.A OG.B GLU 29.A OE2 no hydrogen 3.138 N/A GLU 26.A N HIS 22.A O no hydrogen 2.938 N/A ASP 27.A N GLY 23.A O no hydrogen 3.057 N/A PHE 28.A N PHE 24.A O no hydrogen 3.057 N/A GLU 29.A N SER 25.A O no hydrogen 3.086 N/A GLU 30.A N GLU 26.A O no hydrogen 3.076 N/A VAL 31.A N ASP 27.A O no hydrogen 2.957 N/A GLN 32.A N PHE 28.A O no hydrogen 2.861 N/A ARG 33.A N GLU 29.A O no hydrogen 2.887 N/A CYS 34.A N VAL 31.A O no hydrogen 3.155 N/A CYS 34.A SG VAL 31.A O no hydrogen 2.862 N/A ALA 36.A N ARG 33.A O no hydrogen 2.546 N/A THR 41.A OG1 ASP 63.A OD2 no hydrogen 2.666 N/A GLU 43.A N ASP 63.A OD2 no hydrogen 3.015 N/A HIS 44.A N ASP 63.A OD1 no hydrogen 3.325 N/A SER 45.A OG ALA 61.A O no hydrogen 3.450 N/A SER 45.A OG TYR 79.A OH no hydrogen 2.700 N/A ASN 46.A N ALA 42.A O no hydrogen 3.297 N/A ASN 46.A N GLU 43.A O no hydrogen 3.031 N/A HIS 47.A N HIS 44.A O no hydrogen 3.388 N/A GLU 49.A N HIS 47.A ND1 no hydrogen 3.380 N/A ASN 50.A N HIS 47.A O no hydrogen 2.779 N/A ASN 50.A ND2 HIS 44.A O no hydrogen 2.809 N/A LYS 53.A N ASN 50.A O no hydrogen 3.007 N/A LYS 53.A NZ ASN 50.A OD1 no hydrogen 2.859 N/A ASN 54.A N LYS 51.A O no hydrogen 2.956 N/A ASN 54.A ND2 SER 45.A O no hydrogen 2.924 N/A ARG 55.A N GLN 98.A OE1 no hydrogen 2.870 N/A ARG 55.A NE GLY 99.A O no hydrogen 2.913 N/A ARG 55.A NH2 GLY 99.A O no hydrogen 2.944 N/A TYR 56.A OH SER 224.A OG no hydrogen 2.490 N/A ILE 59.A N TYR 56.A O no hydrogen 3.091 N/A LEU 60.A N ASN 263.A OD1 no hydrogen 2.819 N/A ALA 61.A N SER 45.A OG no hydrogen 2.836 N/A ASP 63.A N THR 41.A O no hydrogen 2.800 N/A HIS 64.A NE2 THR 260.A O no hydrogen 2.781 N/A SER 65.A OG GLN 261.A O no hydrogen 2.641 N/A ARG 66.A N ASP 63.A O no hydrogen 3.232 N/A ARG 66.A NE HIS 44.A ND1 no hydrogen 3.055 N/A ARG 66.A NH1 ASP 78.A O no hydrogen 3.546 N/A ARG 66.A NH2 ASP 78.A OD2 no hydrogen 2.918 N/A VAL 67.A N ALA 82.A O no hydrogen 3.085 N/A LEU 69.A N ASP 78.A O no hydrogen 2.696 N/A ARG 70.A N GLU 114.A OE1 no hydrogen 2.965 N/A LEU 72.A N SER 77.A OG no hydrogen 2.863 N/A SER 77.A N SER 74.A O no hydrogen 3.353 N/A SER 77.A OG SER 74.A O no hydrogen 2.776 N/A TYR 79.A N HIS 76.A O no hydrogen 3.191 N/A TYR 79.A OH SER 45.A OG no hydrogen 2.700 N/A TYR 79.A OH ASN 54.A OD1 no hydrogen 2.538 N/A ASN 81.A ND2 ASN 54.A OD1 no hydrogen 3.123 N/A ASN 81.A ND2 ILE 59.A O no hydrogen 2.780 N/A ASN 83.A N ALA 96.A O no hydrogen 3.077 N/A ASN 83.A ND2 TYR 62.A O no hydrogen 3.030 N/A ASN 83.A ND2 SER 65.A OG no hydrogen 2.920 N/A TYR 84.A N SER 65.A O no hydrogen 2.878 N/A TYR 84.A OH GLN 115.A OE1 no hydrogen 2.724 N/A VAL 85.A N TYR 94.A O no hydrogen 2.882 N/A ASP 86.A N GLN 261.A OE1 no hydrogen 2.804 N/A GLY 87.A N LYS 90.A O no hydrogen 3.042 N/A TYR 88.A OH ASP 245.A OD2 no hydrogen 2.526 N/A LYS 90.A N TYR 88.A O no hydrogen 2.779 N/A LYS 92.A N ASP 86.A OD1 no hydrogen 2.860 N/A TYR 94.A N VAL 85.A O no hydrogen 3.027 N/A TYR 94.A OH ASP 237.A OD2 no hydrogen 2.494 N/A ILE 95.A N VAL 219.A O no hydrogen 2.879 N/A ALA 96.A N ASN 83.A O no hydrogen 2.995 N/A THR 97.A N VAL 221.A O no hydrogen 2.978 N/A THR 97.A OG1 ASN 81.A O no hydrogen 2.440 N/A GLN 98.A NE2 LYS 53.A O no hydrogen 2.846 N/A GLY 99.A N SER 224.A O no hydrogen 2.713 N/A LEU 101.A N THR 104.A OG1 no hydrogen 3.058 N/A LYS 102.A N ASP 135.A OD2 no hydrogen 2.949 N/A THR 104.A N LEU 101.A O no hydrogen 2.871 N/A THR 104.A OG1 LEU 101.A O no hydrogen 3.106 N/A PHE 105.A N LYS 102.A O no hydrogen 3.343 N/A PHE 108.A N THR 104.A O no hydrogen 2.829 N/A TRP 109.A N PHE 105.A O no hydrogen 3.093 N/A TRP 109.A NE1 TYR 137.A O no hydrogen 2.799 N/A ARG 110.A N GLU 106.A O no hydrogen 2.862 N/A ARG 110.A NH1 ARG 70.A O no hydrogen 2.519 N/A ARG 110.A NH1 GLU 114.A OE2 no hydrogen 2.784 N/A ARG 110.A NH2 ARG 70.A O no hydrogen 3.268 N/A ARG 110.A NH2 SER 77.A O no hydrogen 2.914 N/A MET 111.A N ASP 107.A O no hydrogen 2.756 N/A ILE 112.A N PHE 108.A O no hydrogen 3.176 N/A TRP 113.A N TRP 109.A O no hydrogen 3.000 N/A GLU 114.A N ARG 110.A O no hydrogen 2.704 N/A GLN 115.A N MET 111.A O no hydrogen 2.741 N/A ASN 116.A N TRP 113.A O no hydrogen 3.007 N/A THR 117.A N ILE 112.A O no hydrogen 2.972 N/A THR 117.A OG1 PRO 218.A O no hydrogen 3.267 N/A ILE 120.A N ILE 182.A O no hydrogen 2.788 N/A VAL 121.A N LEU 220.A O no hydrogen 2.680 N/A MET 122.A N TYR 184.A O no hydrogen 2.652 N/A ILE 123.A N HIS 222.A O no hydrogen 2.797 N/A THR 124.A OG1 ASN 125.A O no hydrogen 2.825 N/A THR 124.A OG1 GLU 128.A OE1 no hydrogen 3.013 N/A ASN 125.A N GLU 128.A OE1 no hydrogen 2.847 N/A ASN 125.A ND2 THR 187.A O no hydrogen 3.089 N/A GLU 128.A N ARG 131.A O no hydrogen 2.788 N/A LYS 129.A NZ GLY 193.A O no hydrogen 3.157 N/A ARG 131.A N GLU 128.A O no hydrogen 2.879 N/A ARG 132.A NE CYS 134.A O no hydrogen 3.435 N/A ARG 132.A NH2 CYS 134.A O no hydrogen 3.136 N/A LYS 133.A N LEU 126.A O no hydrogen 2.672 N/A CYS 134.A N LEU 126.A O no hydrogen 3.103 N/A CYS 134.A SG ASP 135.A O no hydrogen 3.372 N/A TYR 137.A OH HIS 222.A NE2 no hydrogen 2.863 N/A THR 140.A OG1 GLN 136.A OE1 no hydrogen 2.944 N/A SER 143.A OG THR 152.A OG1 no hydrogen 2.604 N/A GLU 144.A N VAL 151.A O no hydrogen 2.957 N/A TYR 146.A N ILE 149.A O no hydrogen 2.719 N/A ILE 149.A N TYR 146.A O no hydrogen 2.855 N/A ILE 150.A N ARG 170.A O no hydrogen 3.188 N/A VAL 151.A N GLU 144.A O no hydrogen 2.784 N/A THR 152.A N SER 168.A O no hydrogen 2.731 N/A THR 152.A OG1 SER 143.A OG no hydrogen 2.604 N/A LEU 153.A N ASN 142.A O no hydrogen 3.057 N/A LYS 154.A N ARG 166.A O no hydrogen 2.720 N/A SER 155.A N ARG 166.A O no hydrogen 3.397 N/A LYS 157.A N VAL 164.A O no hydrogen 2.893 N/A HIS 159.A N TYR 162.A O no hydrogen 2.765 N/A CYS 161.A SG GLN 188.A OE1 no hydrogen 3.529 N/A THR 163.A N HIS 185.A O no hydrogen 2.700 N/A VAL 164.A N LYS 157.A O no hydrogen 2.787 N/A ARG 165.A N GLN 183.A O no hydrogen 2.941 N/A ARG 165.A NH1 GLN 183.A OE1 no hydrogen 2.686 N/A ARG 166.A N SER 155.A O no hydrogen 2.981 N/A PHE 167.A N VAL 181.A O no hydrogen 2.850 N/A SER 168.A N THR 152.A O no hydrogen 2.785 N/A ILE 169.A N ARG 179.A O no hydrogen 2.886 N/A ARG 170.A N ILE 150.A O no hydrogen 3.216 N/A ASN 171.A N ASN 177.A O no hydrogen 3.299 N/A THR 172.A N ASN 148.A O no hydrogen 2.751 N/A THR 172.A OG1 ASN 148.A O no hydrogen 3.284 N/A LYS 173.A N ASN 171.A OD1 no hydrogen 2.870 N/A ARG 179.A N ILE 169.A O no hydrogen 2.930 N/A ARG 179.A NH1 TRP 113.A O no hydrogen 2.564 N/A VAL 181.A N PHE 167.A O no hydrogen 2.921 N/A ILE 182.A N GLY 118.A O no hydrogen 3.043 N/A GLN 183.A N ARG 165.A O no hydrogen 2.862 N/A GLN 183.A NE2 TYR 137.A OH no hydrogen 3.015 N/A TYR 184.A N ILE 120.A O no hydrogen 2.694 N/A HIS 185.A N THR 163.A O no hydrogen 2.794 N/A TYR 186.A N MET 122.A O no hydrogen 2.823 N/A THR 187.A N CYS 161.A O no hydrogen 2.905 N/A GLN 188.A N CYS 161.A O no hydrogen 3.288 N/A TRP 189.A NE1 TYR 186.A O no hydrogen 2.967 N/A LEU 202.A N ALA 198.A O no hydrogen 2.981 N/A THR 203.A N LEU 199.A O no hydrogen 3.244 N/A THR 203.A OG1 LEU 199.A O no hydrogen 3.200 N/A PHE 204.A N PRO 200.A O no hydrogen 3.052 N/A VAL 205.A N VAL 201.A O no hydrogen 2.731 N/A ARG 206.A N LEU 202.A O no hydrogen 2.889 N/A ARG 207.A N THR 203.A O no hydrogen 2.937 N/A SER 208.A N PHE 204.A O no hydrogen 2.880 N/A SER 208.A OG PHE 204.A O no hydrogen 2.846 N/A SER 208.A OG VAL 205.A O no hydrogen 3.239 N/A SER 208.A OG TYR 233.A OH no hydrogen 2.684 N/A SER 209.A N VAL 205.A O no hydrogen 2.943 N/A SER 209.A OG.A ASP 237.A OD1 no hydrogen 2.878 N/A SER 209.A OG.B VAL 205.A O no hydrogen 2.966 N/A SER 209.A OG.B ARG 206.A O no hydrogen 3.132 N/A ALA 210.A N ARG 206.A O no hydrogen 3.084 N/A ALA 211.A N SER 208.A O no hydrogen 3.197 N/A ARG 212.A N SER 209.A O no hydrogen 3.078 N/A ARG 212.A NH1 ALA 93.A O no hydrogen 3.124 N/A ARG 212.A NH2 ALA 93.A O no hydrogen 2.939 N/A THR 216.A OG1 MET 213.A O no hydrogen 2.840 N/A THR 216.A OG1 GLY 217.A O no hydrogen 3.272 N/A GLY 217.A N ASN 116.A O no hydrogen 2.786 N/A VAL 219.A N ALA 93.A O no hydrogen 3.089 N/A LEU 220.A N ILE 119.A O no hydrogen 3.027 N/A VAL 221.A N ILE 95.A O no hydrogen 2.784 N/A HIS 222.A N VAL 121.A O no hydrogen 2.952 N/A HIS 222.A ND1 CYS 223.A O no hydrogen 2.832 N/A HIS 222.A NE2 TYR 137.A OH no hydrogen 2.863 N/A CYS 223.A SG THR 230.A OG1 no hydrogen 3.151 N/A SER 224.A OG TYR 56.A OH no hydrogen 2.490 N/A SER 224.A OG LYS 133.A O no hydrogen 2.939 N/A ARG 229.A NE ILE 123.A O no hydrogen 3.037 N/A ARG 229.A NH2 ILE 123.A O no hydrogen 3.375 N/A ARG 229.A NH2 GLU 128.A OE1 no hydrogen 2.583 N/A ARG 229.A NH2 GLU 128.A OE2 no hydrogen 3.142 N/A GLY 231.A N VAL 227.A O no hydrogen 2.914 N/A THR 232.A N GLY 228.A O no hydrogen 3.132 N/A THR 232.A OG1 GLY 228.A O no hydrogen 2.998 N/A TYR 233.A N ARG 229.A O no hydrogen 3.000 N/A TYR 233.A OH SER 208.A OG no hydrogen 2.684 N/A ILE 234.A N THR 230.A O no hydrogen 3.136 N/A VAL 235.A N GLY 231.A O no hydrogen 2.965 N/A ILE 236.A N THR 232.A O no hydrogen 3.021 N/A ASP 237.A N TYR 233.A O no hydrogen 2.846 N/A SER 238.A N ILE 234.A O no hydrogen 2.818 N/A SER 238.A OG ILE 234.A O no hydrogen 2.775 N/A MET 239.A N VAL 235.A O no hydrogen 2.947 N/A LEU 240.A N ILE 236.A O no hydrogen 3.051 N/A GLN 241.A N ASP 237.A O no hydrogen 3.190 N/A GLN 242.A N SER 238.A O no hydrogen 2.985 N/A ILE 243.A N MET 239.A O no hydrogen 2.898 N/A LYS 244.A N LEU 240.A O no hydrogen 3.089 N/A ASP 245.A N GLN 241.A O no hydrogen 2.894 N/A LYS 246.A N GLN 242.A O no hydrogen 2.757 N/A SER 247.A N ILE 243.A O no hydrogen 2.813 N/A SER 247.A OG ILE 243.A O no hydrogen 3.543 N/A THR 248.A OG1 GLN 242.A OE1 no hydrogen 3.199 N/A VAL 249.A N ILE 4.A O no hydrogen 2.858 N/A GLY 253.A N ASN 250.A OD1 no hydrogen 3.306 N/A PHE 254.A N ASN 250.A O no hydrogen 3.068 N/A LEU 255.A N VAL 251.A O no hydrogen 2.942 N/A LYS 256.A N LEU 252.A O no hydrogen 3.148 N/A LYS 256.A NZ GLU 30.A OE1 no hydrogen 2.693 N/A HIS 257.A N GLY 253.A O no hydrogen 3.170 N/A HIS 257.A NE2 ASP 86.A OD2 no hydrogen 2.841 N/A ILE 258.A N PHE 254.A O no hydrogen 2.935 N/A ARG 259.A N LEU 255.A O no hydrogen 3.000 N/A ARG 259.A NE LEU 265.A O no hydrogen 2.867 N/A ARG 259.A NH2 VAL 266.A O no hydrogen 2.821 N/A THR 260.A N HIS 257.A O no hydrogen 3.017 N/A THR 260.A OG1 HIS 257.A O no hydrogen 2.591 N/A GLN 261.A N ILE 258.A O no hydrogen 2.894 N/A GLN 261.A NE2 ASP 86.A OD2 no hydrogen 2.757 N/A ARG 262.A N ILE 258.A O no hydrogen 3.211 N/A ARG 262.A NE GLY 226.A O no hydrogen 3.001 N/A ARG 262.A NH1 ASN 81.A OD1 no hydrogen 2.858 N/A ARG 262.A NH1 ASN 83.A OD1 no hydrogen 2.766 N/A ARG 262.A NH2 ASN 81.A OD1 no hydrogen 3.031 N/A ARG 262.A NH2 ALA 225.A O no hydrogen 2.962 N/A ASN 263.A ND2 ASN 263.A O no hydrogen 2.603 N/A VAL 266.A N VAL 227.A O no hydrogen 3.024 N/A GLN 267.A N GLN 271.A OE1 no hydrogen 2.777 N/A THR 268.A N GLN 271.A OE1 no hydrogen 3.042 N/A THR 268.A OG1 GLU 270.A OE1 no hydrogen 3.100 N/A GLN 271.A N THR 268.A OG1 no hydrogen 3.152 N/A TYR 272.A N THR 268.A O no hydrogen 3.020 N/A TYR 272.A OH ASP 27.A OD2 no hydrogen 2.925 N/A ILE 273.A N GLU 269.A O no hydrogen 2.728 N/A PHE 274.A N GLU 270.A O no hydrogen 2.888 N/A ILE 275.A N GLN 271.A O no hydrogen 3.010 N/A HIS 276.A ND1 TYR 272.A O no hydrogen 2.834 N/A ASP 277.A N ILE 273.A O no hydrogen 3.057 N/A ALA 278.A N PHE 274.A O no hydrogen 2.790 N/A LEU 279.A N ILE 275.A O no hydrogen 3.039 N/A LEU 280.A N HIS 276.A O no hydrogen 2.837 N/A GLU 281.A N ASP 277.A O no hydrogen 3.039 N/A ALA 282.A N ALA 278.A O no hydrogen 3.109 N/A ILE 283.A N LEU 279.A O no hydrogen 2.922 N/A LEU 284.A N LEU 280.A O no hydrogen 2.952 N/A GLY 285.A N GLU 281.A O no hydrogen 2.814 N/A