Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w9j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG GLU 6.A OE2 no hydrogen 3.390 N/A ILE 7.A N SER 3.A O no hydrogen 3.036 N/A GLU 8.A N LEU 4.A O no hydrogen 2.894 N/A HIS 9.A N THR 5.A O no hydrogen 3.107 N/A LEU 10.A N GLU 6.A O no hydrogen 2.940 N/A VAL 11.A N ILE 7.A O no hydrogen 3.028 N/A GLN 12.A N GLU 8.A O no hydrogen 3.313 N/A SER 13.A N HIS 9.A O no hydrogen 2.971 N/A SER 13.A OG LEU 10.A O no hydrogen 3.136 N/A VAL 14.A N LEU 10.A O no hydrogen 3.059 N/A CYS 15.A N VAL 11.A O no hydrogen 2.984 N/A CYS 15.A SG VAL 11.A O no hydrogen 3.338 N/A CYS 15.A SG ASP 152.A O no hydrogen 4.006 N/A LYS 16.A N GLN 12.A O no hydrogen 2.913 N/A LYS 16.A NZ GLU 20.A OE2 no hydrogen 3.222 N/A SER 17.A N SER 13.A O no hydrogen 2.971 N/A SER 17.A OG SER 13.A O no hydrogen 2.667 N/A SER 17.A OG ARG 74.A O no hydrogen 3.129 N/A TYR 18.A N VAL 14.A O no hydrogen 3.020 N/A ARG 19.A N CYS 15.A O no hydrogen 3.031 N/A GLU 20.A N LYS 16.A O no hydrogen 3.054 N/A THR 21.A N TYR 18.A O no hydrogen 3.038 N/A THR 21.A OG1 SER 17.A O no hydrogen 2.716 N/A THR 21.A OG1 TYR 18.A O no hydrogen 3.407 N/A CYS 22.A SG ARG 19.A O no hydrogen 3.476 N/A CYS 22.A SG LEU 24.A O no hydrogen 3.781 N/A LEU 24.A N CYS 22.A O no hydrogen 3.020 N/A ARG 25.A NH1 GLU 27.A OE1 no hydrogen 3.252 N/A LEU 29.A N ARG 25.A O no hydrogen 3.191 N/A LEU 30.A N LEU 26.A O no hydrogen 2.933 N/A ARG 31.A N GLU 27.A O no hydrogen 2.868 N/A ARG 33.A N LEU 30.A O no hydrogen 3.124 N/A ASN 35.A N GLN 32.A O no hydrogen 2.969 N/A ASN 35.A ND2 GLN 32.A OE1 no hydrogen 2.867 N/A PHE 37.A N TYR 119.A O no hydrogen 2.951 N/A SER 38.A N GLU 41.A OE2 no hydrogen 3.005 N/A SER 38.A OG GLU 41.A OE2 no hydrogen 3.135 N/A GLU 41.A N SER 38.A OG no hydrogen 3.333 N/A VAL 42.A N SER 38.A O no hydrogen 2.935 N/A THR 43.A N ARG 39.A O no hydrogen 2.975 N/A THR 43.A OG1 ARG 39.A O no hydrogen 3.098 N/A GLY 44.A N GLU 40.A O no hydrogen 2.997 N/A TYR 45.A N GLU 41.A O no hydrogen 3.131 N/A TYR 45.A OH GLU 116.A OE1 no hydrogen 2.531 N/A GLN 46.A N VAL 42.A O no hydrogen 2.982 N/A GLN 46.A NE2 GLU 123.A O no hydrogen 2.938 N/A ARG 47.A N THR 43.A O no hydrogen 2.863 N/A LYS 48.A N TYR 45.A O no hydrogen 3.108 N/A GLU 52.A N SER 49.A OG no hydrogen 3.238 N/A MET 53.A N SER 49.A O no hydrogen 3.089 N/A TRP 54.A N MET 50.A O no hydrogen 2.901 N/A TRP 54.A NE1 LEU 128.A O no hydrogen 3.114 N/A GLU 55.A N TRP 51.A O no hydrogen 2.920 N/A ARG 56.A N GLU 52.A O no hydrogen 2.963 N/A ARG 56.A NH1 GLU 116.A OE1 no hydrogen 2.986 N/A CYS 57.A N MET 53.A O no hydrogen 2.975 N/A CYS 57.A SG MET 53.A O no hydrogen 3.489 N/A ALA 58.A N TRP 54.A O no hydrogen 2.929 N/A HIS 59.A N GLU 55.A O no hydrogen 2.946 N/A HIS 60.A N ARG 56.A O no hydrogen 2.958 N/A HIS 60.A NE2 GLU 116.A OE2 no hydrogen 2.670 N/A LEU 61.A N CYS 57.A O no hydrogen 2.947 N/A THR 62.A N ALA 58.A O no hydrogen 3.139 N/A THR 62.A OG1 ALA 58.A O no hydrogen 2.704 N/A GLU 63.A N HIS 59.A O no hydrogen 3.212 N/A ALA 64.A N HIS 60.A O no hydrogen 3.215 N/A ILE 65.A N LEU 61.A O no hydrogen 2.840 N/A GLN 66.A N THR 62.A O no hydrogen 2.973 N/A TYR 67.A N GLU 63.A O no hydrogen 3.427 N/A VAL 68.A N ALA 64.A O no hydrogen 3.230 N/A VAL 69.A N ILE 65.A O no hydrogen 2.862 N/A GLU 70.A N GLN 66.A O no hydrogen 3.216 N/A PHE 71.A N TYR 67.A O no hydrogen 2.905 N/A ALA 72.A N VAL 68.A O no hydrogen 2.975 N/A LYS 73.A N VAL 69.A O no hydrogen 2.983 N/A LYS 73.A NZ LEU 250.A O no hydrogen 2.826 N/A ARG 74.A N GLU 70.A O no hydrogen 3.103 N/A ARG 74.A NE GLU 70.A OE2 no hydrogen 2.977 N/A ARG 74.A NH1 GLU 20.A OE1 no hydrogen 2.928 N/A ARG 74.A NH2 GLU 70.A OE2 no hydrogen 3.204 N/A LEU 75.A N ALA 72.A O no hydrogen 3.037 N/A PHE 78.A N LEU 75.A O no hydrogen 3.106 N/A LEU 81.A N PHE 78.A O no hydrogen 3.204 N/A CYS 82.A SG GLU 172.A OE1 no hydrogen 3.829 N/A GLN 86.A N CYS 82.A O no hydrogen 3.043 N/A GLN 86.A NE2 PHE 78.A O no hydrogen 3.282 N/A GLN 86.A NE2 LEU 81.A O no hydrogen 2.947 N/A ILE 87.A N GLN 83.A O no hydrogen 2.958 N/A VAL 88.A N ASN 84.A O no hydrogen 2.953 N/A LEU 89.A N ASP 85.A O no hydrogen 2.911 N/A LEU 90.A N GLN 86.A O no hydrogen 2.995 N/A LYS 91.A N ILE 87.A O no hydrogen 2.790 N/A ALA 92.A N VAL 88.A O no hydrogen 3.133 N/A GLY 93.A N LEU 89.A O no hydrogen 2.896 N/A ALA 94.A N LEU 90.A O no hydrogen 2.889 N/A VAL 97.A N GLY 93.A O no hydrogen 2.933 N/A VAL 98.A N ALA 94.A O no hydrogen 3.086 N/A LEU 99.A N MET 95.A O no hydrogen 2.908 N/A VAL 100.A N GLU 96.A O no hydrogen 3.208 N/A VAL 100.A N VAL 97.A O no hydrogen 3.182 N/A ARG 101.A N VAL 97.A O no hydrogen 2.900 N/A ARG 101.A NH1 THR 21.A O no hydrogen 2.797 N/A ARG 101.A NH2 THR 21.A O no hydrogen 3.104 N/A ARG 101.A NH2 THR 21.A OG1 no hydrogen 3.375 N/A MET 102.A N VAL 98.A O no hydrogen 2.888 N/A CYS 103.A N VAL 100.A O no hydrogen 3.153 N/A CYS 103.A SG VAL 100.A O no hydrogen 3.232 N/A ARG 104.A N ARG 101.A O no hydrogen 3.191 N/A ARG 104.A NE GLU 151.A OE1 no hydrogen 3.108 N/A ARG 104.A NE GLU 151.A OE2 no hydrogen 3.125 N/A ARG 104.A NH1 LEU 24.A O no hydrogen 2.998 N/A ARG 104.A NH2 LEU 24.A O no hydrogen 2.925 N/A ARG 104.A NH2 GLU 151.A OE1 no hydrogen 2.882 N/A ALA 105.A N MET 102.A O no hydrogen 3.163 N/A TYR 106.A N CYS 103.A O no hydrogen 3.264 N/A TYR 106.A OH HIS 142.A ND1 no hydrogen 2.864 N/A ASN 107.A N THR 112.A O no hydrogen 2.835 N/A ASP 109.A N ASN 107.A OD1 no hydrogen 3.213 N/A THR 112.A N ASN 107.A O no hydrogen 3.206 N/A THR 112.A OG1 ASN 110.A OD1 no hydrogen 2.686 N/A VAL 113.A N GLY 120.A O no hydrogen 2.893 N/A PHE 114.A N ALA 105.A O no hydrogen 2.866 N/A PHE 115.A N LYS 118.A O no hydrogen 2.896 N/A LYS 118.A N PHE 115.A O no hydrogen 3.522 N/A LYS 118.A NZ GLU 41.A OE2 no hydrogen 3.292 N/A TYR 119.A N ASN 35.A O no hydrogen 2.908 N/A TYR 119.A OH LEU 29.A O no hydrogen 2.596 N/A GLY 120.A N VAL 113.A O no hydrogen 2.922 N/A GLU 123.A N GLU 123.A OE2 no hydrogen 2.925 N/A LEU 124.A N GLY 121.A O no hydrogen 3.066 N/A PHE 125.A N MET 122.A O no hydrogen 3.051 N/A ARG 126.A N GLU 123.A O no hydrogen 3.386 N/A LEU 128.A N PHE 125.A O no hydrogen 3.086 N/A GLY 129.A N ARG 126.A O no hydrogen 3.324 N/A ILE 134.A N CYS 130.A O no hydrogen 3.030 N/A SER 135.A N SER 131.A O no hydrogen 2.890 N/A SER 135.A OG SER 131.A O no hydrogen 2.734 N/A SER 136.A N GLU 132.A O no hydrogen 2.911 N/A SER 136.A OG GLU 132.A O no hydrogen 2.774 N/A SER 136.A OG GLN 215.A OE1 no hydrogen 3.467 N/A ILE 137.A N LEU 133.A O no hydrogen 2.946 N/A PHE 138.A N ILE 134.A O no hydrogen 2.931 N/A ASP 139.A N SER 135.A O no hydrogen 2.847 N/A PHE 140.A N SER 136.A O no hydrogen 2.911 N/A SER 141.A N ILE 137.A O no hydrogen 2.997 N/A SER 141.A OG ILE 137.A O no hydrogen 3.427 N/A HIS 142.A N PHE 138.A O no hydrogen 2.991 N/A HIS 142.A ND1 TYR 106.A OH no hydrogen 2.864 N/A SER 143.A N ASP 139.A O no hydrogen 2.891 N/A SER 143.A OG PHE 140.A O no hydrogen 2.871 N/A LEU 144.A N PHE 140.A O no hydrogen 3.038 N/A SER 145.A N SER 141.A O no hydrogen 2.908 N/A SER 145.A OG HIS 142.A O no hydrogen 2.736 N/A ALA 146.A N HIS 142.A O no hydrogen 3.350 N/A LEU 147.A N LEU 144.A O no hydrogen 3.146 N/A HIS 148.A N SER 145.A O no hydrogen 3.193 N/A SER 150.A N GLU 153.A OE1 no hydrogen 2.943 N/A GLU 153.A N SER 150.A OG no hydrogen 3.090 N/A ILE 154.A N SER 150.A O no hydrogen 3.127 N/A ALA 155.A N GLU 151.A O no hydrogen 2.930 N/A LEU 156.A N ASP 152.A O no hydrogen 3.082 N/A TYR 157.A N GLU 153.A O no hydrogen 2.873 N/A THR 158.A N ILE 154.A O no hydrogen 2.847 N/A THR 158.A OG1 ILE 154.A O no hydrogen 2.712 N/A THR 158.A OG1 ALA 155.A O no hydrogen 3.109 N/A ALA 159.A N ALA 155.A O no hydrogen 3.065 N/A LEU 160.A N LEU 156.A O no hydrogen 3.298 N/A VAL 161.A N TYR 157.A O no hydrogen 2.947 N/A LEU 162.A N THR 158.A O no hydrogen 3.188 N/A ILE 163.A N ALA 159.A O no hydrogen 2.903 N/A ASN 164.A N LEU 162.A O no hydrogen 3.092 N/A ALA 165.A N GLN 180.A OE1 no hydrogen 2.878 N/A HIS 166.A N ASN 164.A OD1 no hydrogen 2.895 N/A ARG 167.A N ASN 164.A O no hydrogen 3.422 N/A ARG 167.A NH1 GLU 96.A OE2 no hydrogen 3.424 N/A ARG 167.A NH2 GLU 96.A OE2 no hydrogen 2.672 N/A GLN 171.A N ASP 85.A OD1 no hydrogen 2.803 N/A GLU 172.A N ASP 85.A OD2 no hydrogen 2.927 N/A VAL 176.A N GLU 172.A O no hydrogen 3.225 N/A GLU 177.A N LYS 173.A O no hydrogen 2.870 N/A GLN 178.A N ARG 174.A O no hydrogen 2.941 N/A LEU 179.A N LYS 175.A O no hydrogen 3.157 N/A GLN 180.A N VAL 176.A O no hydrogen 2.811 N/A GLN 180.A NE2 GLU 184.A OE1 no hydrogen 3.283 N/A GLN 180.A NE2 GLU 184.A OE2 no hydrogen 3.536 N/A TYR 181.A N GLU 177.A O no hydrogen 2.909 N/A ASN 182.A N GLN 178.A O no hydrogen 3.037 N/A LEU 183.A N LEU 179.A O no hydrogen 3.081 N/A GLU 184.A N GLN 180.A O no hydrogen 2.861 N/A LEU 185.A N TYR 181.A O no hydrogen 2.935 N/A ALA 186.A N ASN 182.A O no hydrogen 3.004 N/A PHE 187.A N LEU 183.A O no hydrogen 2.833 N/A HIS 188.A N GLU 184.A O no hydrogen 2.877 N/A HIS 189.A N LEU 185.A O no hydrogen 2.737 N/A HIS 189.A NE2 GLU 8.A OE2 no hydrogen 3.067 N/A HIS 190.A N ALA 186.A O no hydrogen 3.001 N/A LEU 191.A N PHE 187.A O no hydrogen 2.946 N/A CYS 192.A N HIS 188.A O no hydrogen 2.896 N/A CYS 192.A SG GLN 197.A OE1 no hydrogen 3.994 N/A LYS 193.A N HIS 189.A O no hydrogen 2.937 N/A LYS 193.A NZ GLU 8.A OE2 no hydrogen 2.744 N/A THR 194.A N HIS 190.A O no hydrogen 3.065 N/A THR 194.A OG1 HIS 190.A O no hydrogen 2.819 N/A THR 194.A OG1 LEU 191.A O no hydrogen 3.416 N/A HIS 195.A N CYS 192.A O no hydrogen 3.264 N/A ARG 196.A N LEU 191.A O no hydrogen 2.789 N/A ARG 196.A NE GLU 153.A OE2 no hydrogen 2.831 N/A ARG 196.A NH1 LEU 147.A O no hydrogen 3.333 N/A ARG 196.A NH2 LEU 147.A O no hydrogen 2.747 N/A ARG 196.A NH2 GLU 153.A OE1 no hydrogen 2.826 N/A ILE 199.A N ARG 196.A O no hydrogen 3.204 N/A LEU 200.A N GLN 197.A O no hydrogen 3.323 N/A LYS 202.A N ILE 199.A O no hydrogen 3.055 N/A LEU 203.A N LEU 200.A O no hydrogen 3.409 N/A LYS 208.A N PRO 205.A O no hydrogen 2.987 N/A LYS 208.A NZ SER 211.A OG no hydrogen 3.138 N/A ARG 210.A N LYS 206.A O no hydrogen 3.414 N/A SER 211.A N GLY 207.A O no hydrogen 2.960 N/A LEU 212.A N LYS 208.A O no hydrogen 3.179 N/A CYS 213.A N LEU 209.A O no hydrogen 3.201 N/A CYS 213.A SG LEU 209.A O no hydrogen 3.266 N/A SER 214.A N ARG 210.A O no hydrogen 2.928 N/A SER 214.A OG ARG 210.A O no hydrogen 3.327 N/A GLN 215.A N SER 211.A O no hydrogen 2.917 N/A GLN 215.A NE2 SER 136.A OG no hydrogen 3.104 N/A HIS 216.A N LEU 212.A O no hydrogen 3.045 N/A HIS 216.A NE2 TYR 239.A OH no hydrogen 2.678 N/A VAL 217.A N CYS 213.A O no hydrogen 3.122 N/A GLU 218.A N SER 214.A O no hydrogen 2.905 N/A ARG 219.A N GLN 215.A O no hydrogen 2.877 N/A LEU 220.A N HIS 216.A O no hydrogen 2.930 N/A GLN 221.A N VAL 217.A O no hydrogen 3.023 N/A ILE 222.A N GLU 218.A O no hydrogen 3.149 N/A PHE 223.A N ARG 219.A O no hydrogen 3.030 N/A GLN 224.A N LEU 220.A O no hydrogen 2.800 N/A HIS 225.A N GLN 221.A O no hydrogen 3.014 N/A LEU 226.A N ILE 222.A O no hydrogen 3.347 N/A LEU 226.A N PHE 223.A O no hydrogen 3.203 N/A HIS 227.A N PHE 223.A O no hydrogen 2.905 N/A HIS 227.A N GLN 224.A O no hydrogen 3.237 N/A VAL 231.A N HIS 227.A O no hydrogen 3.310 N/A GLN 232.A N PRO 228.A O no hydrogen 3.195 N/A ALA 233.A N ILE 229.A O no hydrogen 2.819 N/A ALA 234.A N VAL 230.A O no hydrogen 2.854 N/A PHE 235.A N VAL 231.A O no hydrogen 3.250 N/A TYR 239.A OH HIS 216.A NE2 no hydrogen 2.678 N/A LYS 240.A N PRO 236.A O no hydrogen 3.153 N/A LYS 240.A NZ VAL 231.A O no hydrogen 3.428 N/A LYS 240.A NZ GLN 232.A O no hydrogen 3.081 N/A LYS 240.A NZ PHE 235.A O no hydrogen 3.525 N/A GLU 241.A N PRO 237.A O no hydrogen 2.940 N/A LEU 242.A N LEU 238.A O no hydrogen 3.015 N/A PHE 243.A N TYR 239.A O no hydrogen 2.867 N/A SER 244.A N LYS 240.A O no hydrogen 2.898 N/A SER 244.A OG GLN 224.A OE1 no hydrogen 2.728 N/A ILE 246.A N GLU 241.A OE1 no hydrogen 2.788 N/A LEU 247.A N GLU 241.A OE1 no hydrogen 3.406 N/A HIS 248.A ND1 GLN 83.A OE1 no hydrogen 2.947 N/A LEU 250.A N ILE 246.A O no hydrogen 2.865 N/A LEU 251.A N LEU 247.A O no hydrogen 2.895 N/A GLN 252.A N HIS 248.A O no hydrogen 3.157 N/A GLN 252.A N ARG 249.A O no hydrogen 3.250 N/A GLU 253.A N ARG 249.A O no hydrogen 3.245 N/A