Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vbq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 GLU 1.A OE1 no hydrogen 3.553 N/A GLN 5.A N ILE 22.A O no hydrogen 2.847 N/A GLY 7.A N SER 20.A O no hydrogen 2.680 N/A LEU 10.A N VAL 18.A O no hydrogen 2.679 N/A GLY 11.A N VAL 18.A O no hydrogen 3.173 N/A GLY 13.A N GLY 16.A O no hydrogen 2.810 N/A GLY 16.A N GLY 13.A O no hydrogen 3.129 N/A SER 17.A N HIS 34.A O no hydrogen 3.150 N/A VAL 18.A N GLY 11.A O no hydrogen 2.815 N/A TYR 19.A N ILE 32.A O no hydrogen 2.909 N/A SER 20.A N PRO 8.A O no hydrogen 2.878 N/A GLY 21.A N VAL 30.A O no hydrogen 2.929 N/A ILE 22.A N GLN 5.A O no hydrogen 2.908 N/A ARG 23.A N LEU 28.A O no hydrogen 2.861 N/A ARG 23.A NH1 ASP 26.A OD1 no hydrogen 3.557 N/A ARG 23.A NH1 ASP 26.A OD2 no hydrogen 3.317 N/A VAL 24.A N GLN 3.A O no hydrogen 2.838 N/A LEU 28.A N ASP 26.A OD1 no hydrogen 3.269 N/A VAL 30.A N GLY 21.A O no hydrogen 2.961 N/A ALA 31.A N LEU 86.A O no hydrogen 2.780 N/A ILE 32.A N TYR 19.A O no hydrogen 2.669 N/A LYS 33.A N LEU 84.A O no hydrogen 2.792 N/A LYS 33.A NZ GLU 55.A OE1 no hydrogen 3.536 N/A LYS 33.A NZ GLU 55.A OE2 no hydrogen 2.640 N/A LYS 33.A NZ ASP 152.A OD2 no hydrogen 2.949 N/A HIS 34.A N SER 17.A O no hydrogen 2.789 N/A VAL 35.A N PHE 82.A O no hydrogen 2.861 N/A LYS 37.A N ASP 80.A O no hydrogen 2.894 N/A LYS 37.A NZ GLU 77.A OE2 no hydrogen 2.889 N/A LYS 37.A NZ ARG 78.A O no hydrogen 2.909 N/A LYS 37.A NZ PRO 79.A O no hydrogen 3.079 N/A ARG 39.A N GLU 36.A O no hydrogen 3.090 N/A ILE 40.A N LYS 37.A O no hydrogen 3.266 N/A GLY 44.A N VAL 52.A O no hydrogen 2.773 N/A LEU 46.A N THR 50.A O no hydrogen 2.868 N/A ASN 48.A N LEU 46.A O no hydrogen 2.263 N/A GLY 49.A N LEU 46.A O no hydrogen 2.614 N/A THR 50.A OG1 ASN 48.A OD1 no hydrogen 3.359 N/A VAL 52.A N GLY 44.A O no hydrogen 2.973 N/A MET 54.A N ASP 42.A O no hydrogen 2.732 N/A VAL 56.A N PRO 53.A O no hydrogen 2.905 N/A LEU 58.A N MET 54.A O no hydrogen 2.861 N/A LEU 59.A N GLU 55.A O no hydrogen 2.961 N/A LYS 60.A N VAL 56.A O no hydrogen 2.937 N/A LYS 61.A N VAL 57.A O no hydrogen 2.943 N/A LYS 61.A NZ CYS 127.A O no hydrogen 3.341 N/A VAL 62.A N LEU 58.A O no hydrogen 3.211 N/A VAL 62.A N LEU 59.A O no hydrogen 3.295 N/A SER 63.A N LYS 60.A O no hydrogen 3.207 N/A SER 64.A OG LYS 61.A O no hydrogen 3.005 N/A SER 64.A OG SER 64.A O no hydrogen 2.625 N/A ILE 70.A N LEU 150.A O no hydrogen 3.046 N/A ARG 71.A N GLU 87.A OE1 no hydrogen 2.820 N/A LEU 73.A N ILE 85.A O no hydrogen 2.710 N/A ASP 74.A N ILE 85.A O no hydrogen 3.441 N/A TRP 75.A N ASP 74.A OD1 no hydrogen 2.828 N/A PHE 76.A N VAL 83.A O no hydrogen 2.781 N/A ARG 78.A N SER 81.A O no hydrogen 2.883 N/A PHE 82.A N VAL 35.A O no hydrogen 2.950 N/A VAL 83.A N PHE 76.A O no hydrogen 2.870 N/A LEU 84.A N LYS 33.A O no hydrogen 2.843 N/A ILE 85.A N ASP 74.A O no hydrogen 2.808 N/A LEU 86.A N ALA 31.A O no hydrogen 2.883 N/A GLU 87.A N ARG 71.A O no hydrogen 2.987 N/A ARG 88.A NE VAL 30.A O no hydrogen 2.785 N/A ARG 88.A NH1 GLU 90.A OE1 no hydrogen 3.080 N/A ARG 88.A NH2 GLY 21.A O no hydrogen 2.861 N/A GLN 93.A N ILE 141.A O no hydrogen 2.959 N/A GLN 93.A NE2 GLU 101.A OE1 no hydrogen 3.242 N/A LEU 95.A N ILE 139.A O no hydrogen 2.785 N/A PHE 96.A N ASP 94.A OD2 no hydrogen 3.093 N/A PHE 96.A N ASP 136.A O no hydrogen 3.280 N/A PHE 98.A N ASP 94.A O no hydrogen 3.080 N/A ILE 99.A N LEU 95.A O no hydrogen 2.941 N/A THR 100.A N PHE 96.A O no hydrogen 2.866 N/A THR 100.A OG1 PHE 96.A O no hydrogen 3.081 N/A GLU 101.A N ASP 97.A O no hydrogen 2.950 N/A ARG 102.A N PHE 98.A O no hydrogen 2.787 N/A ARG 102.A NH1 HIS 269.A O no hydrogen 3.176 N/A ARG 102.A NH2 HIS 269.A O no hydrogen 2.947 N/A GLY 103.A N ILE 99.A O no hydrogen 2.864 N/A LEU 105.A N MET 201.A O no hydrogen 2.854 N/A ALA 110.A N GLN 106.A O no hydrogen 2.901 N/A ARG 111.A N GLU 107.A O no hydrogen 2.812 N/A ARG 111.A NE TRP 255.A O no hydrogen 2.737 N/A ARG 111.A NH2 TRP 255.A O no hydrogen 3.523 N/A SER 112.A N GLU 108.A O no hydrogen 3.231 N/A SER 112.A OG THR 265.A OG1 no hydrogen 2.694 N/A PHE 113.A N LEU 109.A O no hydrogen 3.028 N/A PHE 114.A N ALA 110.A O no hydrogen 2.817 N/A TRP 115.A N ARG 111.A O no hydrogen 2.846 N/A GLN 116.A N SER 112.A O no hydrogen 3.022 N/A GLN 116.A NE2 GLY 146.A O no hydrogen 2.914 N/A VAL 117.A N PHE 113.A O no hydrogen 2.885 N/A LEU 118.A N PHE 114.A O no hydrogen 2.831 N/A GLU 119.A N TRP 115.A O no hydrogen 2.972 N/A ALA 120.A N GLN 116.A O no hydrogen 3.086 N/A VAL 121.A N VAL 117.A O no hydrogen 2.860 N/A ARG 122.A N LEU 118.A O no hydrogen 2.923 N/A ARG 122.A NH1 GLN 251.A OE1 no hydrogen 2.996 N/A HIS 123.A N GLU 119.A O no hydrogen 2.985 N/A HIS 123.A NE2 VAL 62.A O no hydrogen 2.978 N/A CYS 124.A N ALA 120.A O no hydrogen 2.992 N/A CYS 124.A SG ALA 120.A O no hydrogen 3.414 N/A HIS 125.A N VAL 121.A O no hydrogen 2.924 N/A ASN 126.A N ARG 122.A O no hydrogen 2.833 N/A CYS 127.A N HIS 123.A O no hydrogen 3.025 N/A CYS 127.A N CYS 124.A O no hydrogen 2.971 N/A CYS 127.A SG LYS 61.A O no hydrogen 3.451 N/A CYS 127.A SG HIS 123.A O no hydrogen 3.325 N/A GLY 128.A N HIS 125.A O no hydrogen 2.945 N/A VAL 129.A N CYS 124.A O no hydrogen 2.874 N/A LEU 130.A N ALA 157.A O no hydrogen 2.891 N/A HIS 131.A NE2 ILE 151.A O no hydrogen 2.891 N/A ARG 132.A NE SER 155.A O no hydrogen 2.816 N/A ARG 132.A NH1 ASP 166.A OD1 no hydrogen 3.032 N/A ARG 132.A NH1 TYR 184.A OH no hydrogen 2.906 N/A ARG 132.A NH2 SER 155.A O no hydrogen 3.256 N/A ARG 132.A NH2 GLY 156.A O no hydrogen 3.327 N/A ARG 132.A NH2 ASP 166.A OD1 no hydrogen 3.367 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.015 N/A LYS 135.A NZ GLU 137.A OE1 no hydrogen 3.025 N/A LYS 135.A NZ THR 170.A OG1 no hydrogen 2.901 N/A ASP 136.A N TYR 173.A OH no hydrogen 3.462 N/A ASN 138.A N LYS 135.A O no hydrogen 2.998 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.978 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 3.174 N/A ILE 139.A N ASP 136.A O no hydrogen 3.237 N/A LEU 140.A N LYS 149.A O no hydrogen 2.847 N/A ILE 141.A N GLN 93.A O no hydrogen 2.816 N/A ASP 142.A N GLU 147.A O no hydrogen 2.912 N/A LEU 143.A N PRO 91.A O no hydrogen 3.287 N/A ASN 144.A N ASP 142.A OD1 no hydrogen 3.214 N/A ARG 145.A N ASP 142.A OD1 no hydrogen 2.989 N/A GLY 146.A N ASP 142.A O no hydrogen 2.741 N/A LEU 148.A N GLN 116.A OE1 no hydrogen 2.794 N/A LYS 149.A N LEU 140.A O no hydrogen 2.830 N/A LYS 149.A NZ SER 67.A O no hydrogen 2.931 N/A LEU 150.A N GLY 68.A O no hydrogen 2.888 N/A ILE 151.A N ASN 138.A O no hydrogen 2.935 N/A GLY 154.A N ASP 152.A OD2 no hydrogen 2.969 N/A SER 155.A OG ASP 168.A O no hydrogen 3.467 N/A GLY 156.A N PHE 153.A O no hydrogen 3.061 N/A ALA 157.A N LEU 130.A O no hydrogen 2.890 N/A LEU 159.A N GLY 128.A O no hydrogen 2.759 N/A LYS 160.A NZ VAL 163.A O no hydrogen 3.235 N/A TYR 164.A N TYR 184.A O no hydrogen 2.721 N/A TYR 164.A OH LEU 158.A O no hydrogen 2.714 N/A THR 170.A OG1 ASP 133.A OD1 no hydrogen 2.657 N/A ARG 171.A NE ASP 211.A OD1 no hydrogen 2.900 N/A ARG 171.A NH2 ASP 211.A OD2 no hydrogen 2.979 N/A TYR 173.A N THR 170.A O no hydrogen 3.081 N/A SER 174.A N ARG 171.A O no hydrogen 2.966 N/A SER 174.A OG ARG 171.A O no hydrogen 2.790 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.785 N/A TRP 178.A N PRO 175.A O no hydrogen 2.931 N/A ILE 179.A N PRO 175.A O no hydrogen 3.077 N/A ARG 180.A N PRO 176.A O no hydrogen 2.849 N/A ARG 180.A NE TYR 181.A OH no hydrogen 3.331 N/A TYR 181.A N GLU 177.A O no hydrogen 2.986 N/A HIS 182.A N TRP 178.A O no hydrogen 2.885 N/A HIS 182.A ND1 TRP 178.A O no hydrogen 3.239 N/A ARG 183.A N GLU 177.A O no hydrogen 3.473 N/A TYR 184.A N TYR 164.A O no hydrogen 3.003 N/A TYR 184.A OH ASP 166.A O no hydrogen 2.673 N/A ARG 187.A NH1 LYS 160.A O no hydrogen 3.531 N/A ALA 189.A N HIS 185.A O no hydrogen 3.137 N/A ALA 190.A N GLY 186.A O no hydrogen 2.949 N/A VAL 191.A N ARG 187.A O no hydrogen 2.982 N/A TRP 192.A N SER 188.A O no hydrogen 3.052 N/A SER 193.A N ALA 189.A O no hydrogen 3.100 N/A SER 193.A OG ALA 190.A O no hydrogen 2.714 N/A LEU 194.A N ALA 190.A O no hydrogen 2.992 N/A GLY 195.A N VAL 191.A O no hydrogen 2.992 N/A ILE 196.A N TRP 192.A O no hydrogen 3.063 N/A LEU 197.A N SER 193.A O no hydrogen 2.867 N/A LEU 198.A N LEU 194.A O no hydrogen 2.762 N/A TYR 199.A N GLY 195.A O no hydrogen 3.031 N/A TYR 199.A OH PHE 220.A O no hydrogen 2.575 N/A ASP 200.A N ILE 196.A O no hydrogen 2.847 N/A MET 201.A N LEU 197.A O no hydrogen 2.919 N/A VAL 202.A N LEU 198.A O no hydrogen 3.055 N/A CYS 203.A N TYR 199.A O no hydrogen 2.783 N/A GLY 204.A N ASP 200.A O no hydrogen 2.827 N/A ILE 206.A N ASP 205.A OD1 no hydrogen 2.744 N/A GLU 209.A N GLU 213.A OE2 no hydrogen 2.682 N/A HIS 210.A N GLU 213.A OE2 no hydrogen 2.974 N/A GLU 213.A N HIS 210.A O no hydrogen 2.936 N/A ILE 214.A N HIS 210.A O no hydrogen 3.045 N/A ILE 215.A N ASP 211.A O no hydrogen 2.966 N/A ARG 216.A N GLU 212.A O no hydrogen 3.110 N/A GLY 217.A N GLU 213.A O no hydrogen 3.011 N/A ARG 222.A NE TYR 199.A OH no hydrogen 3.267 N/A SER 226.A N GLU 107.A OE2 no hydrogen 2.770 N/A SER 226.A OG GLU 107.A OE1 no hydrogen 2.767 N/A CYS 229.A N SER 226.A OG no hydrogen 3.167 N/A GLN 230.A N SER 226.A O no hydrogen 2.891 N/A GLN 230.A NE2 VAL 225.A O no hydrogen 3.282 N/A HIS 231.A N SER 227.A O no hydrogen 2.925 N/A HIS 231.A ND1 HIS 253.A NE2 no hydrogen 2.860 N/A LEU 232.A N GLU 228.A O no hydrogen 3.090 N/A ILE 233.A N CYS 229.A O no hydrogen 2.996 N/A ARG 234.A N GLN 230.A O no hydrogen 2.883 N/A ARG 234.A NH1 GLN 230.A OE1 no hydrogen 2.830 N/A ARG 234.A NH2 VAL 219.A O no hydrogen 2.918 N/A ARG 234.A NH2 GLN 230.A OE1 no hydrogen 3.546 N/A TRP 235.A N HIS 231.A O no hydrogen 2.912 N/A CYS 236.A N LEU 232.A O no hydrogen 3.003 N/A CYS 236.A SG LEU 232.A O no hydrogen 3.503 N/A LEU 237.A N ILE 233.A O no hydrogen 2.994 N/A ALA 238.A N TRP 235.A O no hydrogen 3.046 N/A ARG 240.A NH1 ASP 243.A OD2 no hydrogen 3.353 N/A ASP 243.A N ARG 240.A O no hydrogen 3.008 N/A ARG 244.A N PRO 241.A O no hydrogen 3.114 N/A ARG 244.A NE ALA 238.A O no hydrogen 2.769 N/A ARG 244.A NH1 GLU 177.A OE2 no hydrogen 2.809 N/A ARG 244.A NH1 SER 188.A O no hydrogen 3.030 N/A ARG 244.A NH2 GLU 177.A OE1 no hydrogen 2.761 N/A ARG 244.A NH2 ALA 238.A O no hydrogen 3.123 N/A ARG 244.A NH2 LEU 239.A O no hydrogen 3.128 N/A THR 246.A N GLU 249.A OE1 no hydrogen 2.968 N/A GLU 249.A N THR 246.A OG1 no hydrogen 3.051 N/A ILE 250.A N THR 246.A O no hydrogen 2.924 N/A GLN 251.A N PHE 247.A O no hydrogen 2.934 N/A GLN 251.A NE2 GLU 119.A OE2 no hydrogen 2.758 N/A ASN 252.A N GLU 248.A O no hydrogen 2.952 N/A HIS 253.A N ILE 250.A O no hydrogen 2.974 N/A HIS 253.A NE2 HIS 231.A ND1 no hydrogen 2.860 N/A TRP 255.A N HIS 253.A ND1 no hydrogen 2.905 N/A TRP 255.A NE1 GLU 107.A OE1 no hydrogen 2.841 N/A MET 256.A N HIS 253.A O no hydrogen 2.875 N/A GLN 257.A N PRO 254.A O no hydrogen 3.347 N/A GLN 257.A NE2 GLN 251.A O no hydrogen 3.094 N/A GLN 257.A NE2 HIS 253.A O no hydrogen 2.842 N/A LEU 261.A N GLU 264.A OE1 no hydrogen 2.852 N/A GLN 263.A NE2 ASN 144.A O no hydrogen 3.657 N/A THR 265.A N LEU 261.A O no hydrogen 2.896 N/A THR 265.A OG1 SER 112.A OG no hydrogen 2.694 N/A THR 265.A OG1 LEU 261.A O no hydrogen 2.941 N/A ALA 266.A N PRO 262.A O no hydrogen 2.952 N/A GLU 267.A N GLN 263.A O no hydrogen 2.885 N/A ILE 268.A N GLU 264.A O no hydrogen 2.844 N/A HIS 269.A N THR 265.A O no hydrogen 2.870 N/A HIS 269.A NE2 GLU 108.A OE1 no hydrogen 2.654 N/A LEU 270.A N ALA 266.A O no hydrogen 2.931 N/A