Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 GLU 5.A OE1 no hydrogen 3.531 N/A GLU 5.A N MET 2.A O no hydrogen 2.955 N/A TRP 7.A N LEU 3.A O no hydrogen 3.081 N/A TRP 7.A NE1 TYR 22.A OH no hydrogen 3.148 N/A LYS 8.A N GLY 4.A O no hydrogen 2.976 N/A LYS 8.A NZ SER 146.A O no hydrogen 2.849 N/A LYS 8.A NZ GLU 152.A OE2 no hydrogen 3.379 N/A ALA 9.A N GLU 5.A O no hydrogen 3.051 N/A GLN 10.A N MET 6.A O no hydrogen 2.834 N/A GLN 10.A NE2 ASN 240.A OD1 no hydrogen 2.856 N/A LEU 11.A N TRP 7.A O no hydrogen 2.739 N/A ASN 12.A N LYS 8.A O no hydrogen 2.985 N/A ASN 12.A ND2 PRO 147.A O no hydrogen 3.000 N/A GLN 13.A N ALA 9.A O no hydrogen 3.248 N/A GLN 13.A N GLN 10.A O no hydrogen 3.079 N/A LEU 14.A N LEU 11.A O no hydrogen 3.149 N/A THR 15.A N GLU 18.A OE1 no hydrogen 2.921 N/A GLU 18.A N THR 15.A OG1 no hydrogen 3.074 N/A PHE 19.A N THR 15.A O no hydrogen 2.849 N/A MET 20.A N ARG 16.A O no hydrogen 2.913 N/A GLU 21.A N GLN 17.A O no hydrogen 3.068 N/A TYR 22.A N GLU 18.A O no hydrogen 2.845 N/A TYR 22.A N PHE 19.A O no hydrogen 3.101 N/A TYR 22.A OH LEU 235.A O no hydrogen 2.723 N/A ARG 23.A N PHE 19.A O no hydrogen 2.882 N/A ARG 24.A NE GLU 29.A OE1 no hydrogen 2.759 N/A ARG 24.A NH2 GLU 29.A OE2 no hydrogen 2.918 N/A ASP 25.A N TYR 22.A O no hydrogen 3.040 N/A GLY 26.A N GLY 246.A O no hydrogen 2.968 N/A ILE 28.A N PRO 205.A O no hydrogen 3.122 N/A GLU 29.A N LYS 248.A O no hydrogen 2.888 N/A ASP 31.A N GLU 250.A O no hydrogen 2.985 N/A ARG 32.A NH1 PRO 49.A O no hydrogen 2.845 N/A ARG 32.A NH1 ASP 252.A OD2 no hydrogen 2.777 N/A ARG 32.A NH2 PRO 49.A O no hydrogen 3.016 N/A SER 33.A N ASP 31.A OD1 no hydrogen 2.908 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 2.752 N/A ARG 36.A N ARG 32.A O no hydrogen 2.866 N/A LYS 37.A N SER 33.A O no hydrogen 3.132 N/A LYS 37.A NZ GLU 41.A OE1 no hydrogen 3.389 N/A LYS 37.A NZ GLU 41.A OE2 no hydrogen 2.963 N/A ALA 38.A N ALA 34.A O no hydrogen 2.997 N/A ARG 39.A N ALA 35.A O no hydrogen 2.980 N/A ARG 40.A N ARG 36.A O no hydrogen 3.156 N/A GLU 41.A N LYS 37.A O no hydrogen 2.899 N/A GLY 42.A N ARG 39.A O no hydrogen 3.330 N/A ASN 43.A N ALA 38.A O no hydrogen 2.768 N/A THR 45.A N ASN 43.A OD1 no hydrogen 3.169 N/A THR 45.A OG1 ASN 43.A OD1 no hydrogen 3.513 N/A GLY 46.A N ASN 43.A OD1 no hydrogen 3.075 N/A GLY 53.A N SER 51.A OG no hydrogen 3.089 N/A THR 54.A OG1 GLY 81.A O no hydrogen 2.834 N/A LYS 56.A NZ GLU 213.A OE2 no hydrogen 2.378 N/A LYS 56.A NZ TYR 215.A OH no hydrogen 3.244 N/A LEU 57.A N GLY 53.A O no hydrogen 3.035 N/A ARG 58.A N THR 54.A O no hydrogen 2.796 N/A TRP 59.A N ALA 55.A O no hydrogen 2.995 N/A MET 60.A N LYS 56.A O no hydrogen 3.325 N/A VAL 61.A N LEU 57.A O no hydrogen 2.802 N/A GLU 62.A N ARG 58.A O no hydrogen 2.885 N/A ARG 63.A N MET 60.A O no hydrogen 3.310 N/A ARG 63.A NH1 TRP 59.A O no hydrogen 2.976 N/A GLY 64.A N VAL 61.A O no hydrogen 2.990 N/A PHE 65.A N MET 60.A O no hydrogen 3.093 N/A LYS 67.A N ASP 173.A OD2 no hydrogen 2.782 N/A HIS 69.A N THR 137.A OG1 no hydrogen 3.063 N/A HIS 69.A ND1 LYS 67.A O no hydrogen 3.016 N/A GLY 70.A N LEU 91.A O no hydrogen 2.939 N/A LYS 71.A N ASP 136.A OD2 no hydrogen 2.774 N/A LYS 71.A NZ GLN 134.A O no hydrogen 2.768 N/A VAL 72.A N GLU 94.A O no hydrogen 2.853 N/A ILE 73.A N THR 137.A O no hydrogen 2.871 N/A ASP 74.A N LYS 96.A O no hydrogen 2.849 N/A LEU 75.A N LEU 139.A O no hydrogen 2.791 N/A CYS 77.A N TYR 98.A O no hydrogen 2.775 N/A CYS 77.A SG GLY 78.A O no hydrogen 3.650 N/A GLY 78.A N THR 99.A OG1 no hydrogen 2.879 N/A ARG 79.A NE VAL 50.A O no hydrogen 2.864 N/A ARG 79.A NH2 VAL 50.A O no hydrogen 3.136 N/A SER 83.A OG ASP 74.A OD2 no hydrogen 2.721 N/A TYR 84.A N GLY 80.A O no hydrogen 2.874 N/A TYR 84.A OH VAL 109.A O no hydrogen 2.591 N/A TYR 85.A N GLY 81.A O no hydrogen 3.254 N/A CYS 86.A N TRP 82.A O no hydrogen 3.011 N/A CYS 86.A SG TRP 82.A O no hydrogen 3.451 N/A ALA 87.A N SER 83.A O no hydrogen 3.116 N/A THR 88.A N TYR 85.A O no hydrogen 2.995 N/A THR 88.A OG1 TYR 85.A O no hydrogen 2.631 N/A LEU 89.A N CYS 86.A O no hydrogen 2.909 N/A VAL 92.A N LEU 89.A O no hydrogen 2.999 N/A GLN 93.A N GLY 70.A O no hydrogen 2.936 N/A GLU 94.A N GLY 70.A O no hydrogen 3.305 N/A VAL 95.A N LEU 118.A O no hydrogen 2.831 N/A LYS 96.A N VAL 72.A O no hydrogen 2.923 N/A LYS 96.A NZ TYR 98.A OH no hydrogen 3.410 N/A GLY 97.A N SER 120.A O.A no hydrogen 2.842 N/A GLY 97.A N SER 120.A O.B no hydrogen 2.886 N/A TYR 98.A N ASP 74.A O no hydrogen 2.962 N/A TYR 98.A OH GLU 133.A OE1 no hydrogen 2.730 N/A THR 99.A N LYS 122.A O no hydrogen 3.069 N/A GLY 102.A N GLU 107.A OE2 no hydrogen 2.676 N/A HIS 105.A N GLY 102.A O no hydrogen 2.994 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 2.694 N/A VAL 109.A N ARG 79.A O no hydrogen 3.061 N/A MET 111.A N TYR 84.A OH no hydrogen 2.957 N/A GLN 112.A N VAL 44.A O no hydrogen 3.044 N/A TYR 114.A N LEU 255.A O no hydrogen 2.944 N/A GLY 115.A N GLY 258.A O no hydrogen 2.890 N/A TRP 116.A N SER 113.A O no hydrogen 2.930 N/A ASN 117.A ND2 ARG 260.A O no hydrogen 2.975 N/A LEU 118.A N GLY 115.A O no hydrogen 2.943 N/A VAL 119.A N TRP 116.A O no hydrogen 3.035 N/A SER 120.A N.A VAL 95.A O no hydrogen 2.865 N/A SER 120.A N.B VAL 95.A O no hydrogen 2.871 N/A LYS 122.A N GLY 97.A O no hydrogen 2.871 N/A SER 123.A OG GLU 107.A OE1 no hydrogen 2.471 N/A GLY 124.A N LYS 100.A O no hydrogen 3.065 N/A VAL 125.A N THR 99.A O no hydrogen 3.007 N/A PHE 128.A N ASP 126.A OD1 no hydrogen 3.072 N/A TYR 129.A N ASP 126.A O no hydrogen 3.197 N/A ARG 130.A N VAL 127.A O no hydrogen 3.233 N/A ARG 130.A NE GLU 133.A OE2 no hydrogen 2.866 N/A ARG 130.A NH2 TYR 98.A OH no hydrogen 3.161 N/A ARG 130.A NH2 GLU 133.A OE2 no hydrogen 3.130 N/A SER 135.A N ARG 169.A O no hydrogen 3.387 N/A SER 135.A OG THR 137.A O no hydrogen 3.566 N/A ASP 136.A N LYS 71.A O no hydrogen 2.859 N/A THR 137.A N LYS 71.A O no hydrogen 3.028 N/A THR 137.A OG1 HIS 69.A O no hydrogen 2.933 N/A LEU 138.A N ASP 173.A O no hydrogen 2.945 N/A LEU 139.A N ILE 73.A O no hydrogen 2.796 N/A CYS 140.A N CYS 175.A O no hydrogen 2.953 N/A CYS 140.A SG LEU 75.A O no hydrogen 3.933 N/A ASP 141.A N LEU 75.A O no hydrogen 3.306 N/A SER 146.A N GLU 152.A OE2 no hydrogen 2.942 N/A VAL 148.A N SER 146.A OG no hydrogen 3.113 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.805 N/A ILE 151.A N VAL 148.A O no hydrogen 2.952 N/A GLU 152.A N VAL 148.A O no hydrogen 3.220 N/A GLU 153.A N PRO 149.A O no hydrogen 2.707 N/A ALA 154.A N GLU 150.A O no hydrogen 2.974 N/A ARG 155.A N ILE 151.A O no hydrogen 3.011 N/A ARG 155.A NH1 GLU 144.A O no hydrogen 2.834 N/A ARG 155.A NH1 ALA 145.A O no hydrogen 3.075 N/A THR 156.A N GLU 152.A O no hydrogen 2.893 N/A THR 156.A OG1 GLU 152.A O no hydrogen 2.832 N/A VAL 157.A N GLU 153.A O no hydrogen 2.968 N/A LYS 158.A N ALA 154.A O no hydrogen 3.085 N/A VAL 159.A N ARG 155.A O no hydrogen 3.229 N/A LEU 160.A N THR 156.A O no hydrogen 2.985 N/A GLN 161.A N VAL 157.A O no hydrogen 2.881 N/A MET 162.A N LYS 158.A O no hydrogen 2.951 N/A VAL 163.A N VAL 159.A O no hydrogen 2.796 N/A GLU 164.A N LEU 160.A O no hydrogen 2.991 N/A GLU 165.A N MET 162.A O no hydrogen 3.116 N/A LEU 167.A N VAL 163.A O no hydrogen 2.865 N/A SER 168.A OG GLU 165.A O no hydrogen 2.964 N/A ARG 169.A N TRP 166.A O no hydrogen 3.154 N/A ARG 169.A NH1 SER 132.A OG no hydrogen 3.021 N/A GLU 172.A N ASP 136.A O no hydrogen 2.919 N/A ASP 173.A N ASP 136.A O no hydrogen 3.113 N/A PHE 174.A N SER 218.A OG no hydrogen 2.976 N/A CYS 175.A N LEU 138.A O no hydrogen 3.053 N/A VAL 176.A N TRP 216.A O no hydrogen 2.951 N/A LYS 177.A N CYS 140.A O no hydrogen 2.763 N/A LYS 177.A NZ GLY 143.A O no hydrogen 2.828 N/A ILE 178.A N MET 214.A O no hydrogen 2.654 N/A CYS 180.A N THR 156.A OG1 no hydrogen 3.203 N/A LYS 185.A N GLU 153.A OE2 no hydrogen 2.813 N/A LEU 187.A N MET 183.A O no hydrogen 3.048 N/A LYS 188.A N PRO 184.A O no hydrogen 3.013 N/A GLU 189.A N LYS 185.A O no hydrogen 3.165 N/A LEU 190.A N VAL 186.A O no hydrogen 2.744 N/A GLU 191.A N LEU 187.A O no hydrogen 2.974 N/A LYS 192.A N LYS 188.A O no hydrogen 3.362 N/A MET 193.A N GLU 189.A O no hydrogen 2.955 N/A GLN 194.A N LEU 190.A O no hydrogen 2.731 N/A GLN 194.A NE2 GLY 199.A O no hydrogen 2.844 N/A GLN 194.A NE2 GLY 222.A O no hydrogen 3.140 N/A LEU 195.A N GLU 191.A O no hydrogen 3.044 N/A ARG 196.A N LYS 192.A O no hydrogen 3.084 N/A ARG 196.A NH1 ARG 196.A O no hydrogen 3.136 N/A TRP 197.A N MET 193.A O no hydrogen 2.740 N/A TRP 197.A NE1 GLU 164.A OE1 no hydrogen 2.691 N/A GLY 198.A N GLN 194.A O no hydrogen 2.725 N/A GLY 200.A N VAL 217.A O no hydrogen 3.130 N/A ILE 202.A N TYR 215.A O no hydrogen 2.932 N/A ARG 203.A NH1 ASN 211.A O no hydrogen 3.191 N/A ARG 203.A NH1 ASN 211.A OD1 no hydrogen 3.247 N/A ARG 203.A NH1 GLU 213.A O no hydrogen 2.853 N/A ARG 203.A NH2 ARG 208.A O no hydrogen 2.949 N/A ARG 203.A NH2 ASN 211.A O no hydrogen 3.110 N/A SER 207.A N VAL 204.A O no hydrogen 2.952 N/A SER 207.A OG VAL 204.A O no hydrogen 3.263 N/A SER 207.A OG GLU 213.A OE2 no hydrogen 2.632 N/A ASN 209.A N ARG 23.A O no hydrogen 2.775 N/A ASN 209.A ND2 TYR 22.A O no hydrogen 2.842 N/A ASN 209.A ND2 ASP 25.A O no hydrogen 2.811 N/A ASN 211.A N ARG 208.A O no hydrogen 3.234 N/A HIS 212.A ND1 HIS 212.A O no hydrogen 2.597 N/A HIS 212.A NE2 SER 232.A OG no hydrogen 2.710 N/A GLU 213.A N ASN 211.A OD1 no hydrogen 3.010 N/A MET 214.A N ILE 178.A O no hydrogen 3.026 N/A TYR 215.A N ILE 202.A O no hydrogen 2.827 N/A TYR 215.A OH ASP 141.A OD1 no hydrogen 3.024 N/A TRP 216.A N VAL 176.A O no hydrogen 2.840 N/A TRP 216.A NE1 GLY 198.A O no hydrogen 2.942 N/A VAL 217.A N GLY 200.A O no hydrogen 2.929 N/A SER 218.A N PHE 174.A O no hydrogen 2.984 N/A SER 218.A OG PHE 174.A O no hydrogen 3.414 N/A GLY 219.A N PHE 65.A O no hydrogen 2.790 N/A ALA 220.A N VAL 217.A O no hydrogen 3.460 N/A ASN 226.A N ASN 223.A OD1 no hydrogen 2.865 N/A SER 227.A N ASN 223.A O no hydrogen 3.038 N/A SER 227.A OG ASN 223.A O no hydrogen 3.109 N/A VAL 228.A N ILE 224.A O no hydrogen 2.992 N/A ASN 229.A N THR 225.A O no hydrogen 3.032 N/A THR 230.A N ASN 226.A O no hydrogen 3.022 N/A THR 230.A OG1 ASN 226.A O no hydrogen 3.010 N/A VAL 231.A N SER 227.A O no hydrogen 3.336 N/A SER 232.A N VAL 228.A O no hydrogen 2.926 N/A SER 232.A OG HIS 212.A NE2 no hydrogen 2.710 N/A SER 232.A OG VAL 228.A O no hydrogen 3.003 N/A GLN 233.A N ASN 229.A O no hydrogen 2.854 N/A GLN 233.A NE2 GLN 233.A O no hydrogen 3.583 N/A GLN 233.A NE2 ASN 237.A OD1 no hydrogen 3.119 N/A MET 234.A N THR 230.A O no hydrogen 3.111 N/A LEU 235.A N VAL 231.A O no hydrogen 2.884 N/A ILE 236.A N SER 232.A O no hydrogen 2.988 N/A ASN 237.A N GLN 233.A O no hydrogen 2.881 N/A ARG 238.A N MET 234.A O no hydrogen 2.998 N/A ARG 238.A NH1 ASN 209.A OD1 no hydrogen 3.099 N/A MET 239.A N LEU 235.A O no hydrogen 3.034 N/A ASN 240.A N ILE 236.A O no hydrogen 3.004 N/A ASN 240.A N ASN 237.A O no hydrogen 3.264 N/A ARG 241.A N ARG 238.A O no hydrogen 3.356 N/A ARG 244.A NH1 ASP 25.A OD2 no hydrogen 2.956 N/A ARG 244.A NH1 ARG 238.A O no hydrogen 2.733 N/A ARG 244.A NH2 MET 239.A O no hydrogen 3.059 N/A ASN 245.A N ASP 25.A OD1 no hydrogen 2.988 N/A LYS 248.A N ILE 27.A O no hydrogen 2.717 N/A GLU 250.A N GLU 29.A O no hydrogen 2.959 N/A VAL 253.A N ASP 252.A OD1 no hydrogen 2.787 N/A LEU 255.A N GLY 47.A O no hydrogen 2.916 N/A ARG 260.A N ASN 117.A OD1 no hydrogen 2.971 N/A ARG 260.A NH1 ALA 87.A O no hydrogen 2.943 N/A ARG 260.A NH1 LEU 89.A O no hydrogen 2.737 N/A ARG 260.A NH1 VAL 92.A O no hydrogen 3.249 N/A ARG 260.A NH2 LYS 90.A O no hydrogen 2.926 N/A ARG 260.A NH2 VAL 92.A O no hydrogen 3.414 N/A