Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wrn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A NE2 ARG 250.A O no hydrogen 2.570 N/A GLU 6.A N HIS 4.A ND1 no hydrogen 3.157 N/A LEU 7.A N HIS 4.A O no hydrogen 3.007 N/A GLN 8.A N GLY 5.A O no hydrogen 3.221 N/A GLN 8.A NE2 GLY 5.A O no hydrogen 3.353 N/A GLN 8.A NE2 ARG 40.A O no hydrogen 2.598 N/A TYR 9.A OH MET 195.A O no hydrogen 2.485 N/A LEU 10.A N GLU 6.A O no hydrogen 3.111 N/A GLY 11.A N LEU 7.A O no hydrogen 2.716 N/A GLN 12.A N GLN 8.A O no hydrogen 2.953 N/A GLN 12.A N TYR 9.A O no hydrogen 3.018 N/A ILE 13.A N TYR 9.A O no hydrogen 3.144 N/A GLN 14.A N LEU 10.A O no hydrogen 3.074 N/A HIS 15.A N GLY 11.A O no hydrogen 2.922 N/A ILE 16.A N GLN 12.A O no hydrogen 3.072 N/A LEU 17.A N ILE 13.A O no hydrogen 2.946 N/A ARG 18.A N GLN 14.A O no hydrogen 2.755 N/A CYS 19.A N HIS 15.A O no hydrogen 2.825 N/A GLY 20.A N ILE 16.A O no hydrogen 2.759 N/A VAL 21.A N SER 33.A O no hydrogen 2.992 N/A LYS 23.A N THR 31.A O no hydrogen 3.121 N/A LYS 23.A NZ ASP 230.A OD2 no hydrogen 2.643 N/A THR 27.A OG1 ASP 25.A OD2 no hydrogen 2.643 N/A THR 27.A OG1 THR 29.A OG1 no hydrogen 2.895 N/A GLY 28.A N ASP 25.A O no hydrogen 2.890 N/A THR 29.A OG1 THR 27.A OG1 no hydrogen 2.895 N/A THR 31.A N LYS 23.A O no hydrogen 2.895 N/A THR 31.A OG1 LYS 23.A O no hydrogen 2.586 N/A LEU 32.A N ILE 233.A O no hydrogen 2.776 N/A SER 33.A N VAL 21.A O no hydrogen 2.929 N/A SER 33.A OG ASP 230.A OD1 no hydrogen 2.796 N/A SER 33.A OG ASP 230.A OD2 no hydrogen 3.557 N/A VAL 34.A N ALA 231.A O no hydrogen 2.949 N/A GLY 36.A N GLY 229.A O no hydrogen 2.970 N/A MET 37.A N LEU 228.A O no hydrogen 3.264 N/A ALA 39.A N HIS 226.A O no hydrogen 2.866 N/A ARG 40.A N GLN 8.A OE1 no hydrogen 2.919 N/A ARG 40.A NH1 ASP 223.A OD2 no hydrogen 3.293 N/A TYR 41.A N PHE 224.A O no hydrogen 2.776 N/A LEU 43.A N GLY 222.A O no hydrogen 2.760 N/A ARG 44.A N SER 42.A OG no hydrogen 3.183 N/A ARG 44.A NE GLU 183.A OE1 no hydrogen 2.901 N/A ARG 44.A NH1 SER 42.A OG no hydrogen 3.383 N/A ARG 44.A NH1 ASP 223.A OD1 no hydrogen 2.904 N/A ARG 44.A NH2 GLU 183.A OE1 no hydrogen 3.194 N/A ARG 44.A NH2 ASP 223.A OD2 no hydrogen 3.106 N/A PHE 47.A N PRO 253.A O no hydrogen 2.868 N/A LEU 49.A N PHE 47.A O no hydrogen 2.653 N/A THR 51.A N GLU 6.A OE2 no hydrogen 2.819 N/A THR 51.A OG1 GLU 6.A OE2 no hydrogen 2.722 N/A THR 51.A OG1 ARG 250.A O no hydrogen 3.233 N/A THR 52.A N GLU 6.A OE1 no hydrogen 2.892 N/A THR 52.A OG1 GLU 6.A OE1 no hydrogen 2.450 N/A LYS 53.A NZ GLY 196.A O no hydrogen 2.560 N/A VAL 55.A N TYR 277.A OH no hydrogen 3.014 N/A TRP 57.A N VAL 55.A O no hydrogen 2.854 N/A VAL 60.A N PHE 56.A O no hydrogen 2.912 N/A LEU 61.A N TRP 57.A O no hydrogen 3.002 N/A GLU 62.A N LYS 58.A O no hydrogen 3.019 N/A GLU 63.A N GLY 59.A O no hydrogen 3.137 N/A LEU 64.A N VAL 60.A O no hydrogen 3.230 N/A LEU 65.A N LEU 61.A O no hydrogen 3.053 N/A TRP 66.A N GLU 62.A O no hydrogen 2.770 N/A TRP 66.A NE1 ASN 73.A O no hydrogen 3.030 N/A PHE 67.A N GLU 63.A O no hydrogen 2.890 N/A ILE 68.A N LEU 64.A O no hydrogen 2.899 N/A LYS 69.A N LEU 65.A O no hydrogen 3.007 N/A LYS 69.A NZ GLU 76.A OE1 no hydrogen 2.924 N/A GLY 70.A N PHE 67.A O no hydrogen 2.840 N/A SER 71.A N TRP 66.A O no hydrogen 3.424 N/A SER 71.A OG GLU 76.A OE1 no hydrogen 3.439 N/A THR 72.A OG1 TYR 122.A OH no hydrogen 2.847 N/A ASN 73.A N SER 71.A OG no hydrogen 3.167 N/A ALA 74.A N GLY 105.A O no hydrogen 2.922 N/A LYS 75.A N ASN 73.A OD1 no hydrogen 2.930 N/A GLU 76.A N ASN 73.A O no hydrogen 3.034 N/A LEU 77.A N ALA 74.A O no hydrogen 3.244 N/A SER 78.A N ALA 74.A O no hydrogen 2.896 N/A SER 78.A OG ASP 86.A OD1 no hydrogen 3.253 N/A SER 78.A OG ASP 86.A OD2 no hydrogen 2.667 N/A SER 79.A N LYS 75.A O no hydrogen 3.120 N/A SER 79.A OG GLU 76.A O no hydrogen 3.053 N/A LYS 80.A N LEU 77.A O no hydrogen 2.935 N/A GLY 81.A N SER 78.A O no hydrogen 3.175 N/A TRP 85.A NE1 GLU 63.A OE2 no hydrogen 2.704 N/A ASP 86.A N LYS 83.A O no hydrogen 3.022 N/A ASN 88.A N TRP 85.A O no hydrogen 3.227 N/A GLY 89.A N ASP 86.A O no hydrogen 3.027 N/A SER 90.A OG ALA 87.A O no hydrogen 3.148 N/A ARG 91.A NH1 ASP 95.A OD1 no hydrogen 2.689 N/A ARG 91.A NH1 PHE 99.A O no hydrogen 3.536 N/A ARG 91.A NH1 ARG 102.A O no hydrogen 3.480 N/A ARG 91.A NH2 ARG 102.A O no hydrogen 2.415 N/A PHE 93.A N SER 90.A OG no hydrogen 3.101 N/A LEU 94.A N SER 90.A O no hydrogen 2.867 N/A ASP 95.A N ARG 91.A O no hydrogen 2.862 N/A SER 96.A N ASP 92.A O no hydrogen 2.969 N/A SER 96.A OG PHE 93.A O no hydrogen 2.719 N/A LEU 97.A N PHE 93.A O no hydrogen 3.263 N/A LEU 97.A N LEU 94.A O no hydrogen 3.164 N/A GLY 98.A N ASP 95.A O no hydrogen 2.780 N/A PHE 99.A N LEU 94.A O no hydrogen 2.936 N/A ARG 102.A N PHE 99.A O no hydrogen 3.176 N/A ARG 102.A NH1 ASP 106.A O no hydrogen 3.482 N/A ARG 102.A NH1 LEU 165.A O no hydrogen 3.169 N/A ARG 102.A NH2 LEU 165.A O no hydrogen 2.778 N/A GLU 104.A N GLU 103.A OE2 no hydrogen 3.199 N/A GLY 105.A N GLY 89.A O no hydrogen 2.690 N/A ASP 106.A N GLU 103.A O no hydrogen 3.125 N/A LEU 107.A N THR 72.A O no hydrogen 3.057 N/A GLY 108.A N ASP 106.A OD1 no hydrogen 3.006 N/A VAL 110.A N GLY 108.A O no hydrogen 2.777 N/A PHE 113.A N VAL 110.A O no hydrogen 2.952 N/A GLN 114.A N VAL 110.A O no hydrogen 3.109 N/A GLN 114.A NE2 PRO 109.A O no hydrogen 2.938 N/A GLN 114.A NE2 ASP 162.A OD2 no hydrogen 3.002 N/A TRP 115.A N TYR 111.A O no hydrogen 2.815 N/A ARG 116.A N GLY 112.A O no hydrogen 3.224 N/A ARG 116.A NE ILE 68.A O no hydrogen 2.925 N/A ARG 116.A NH1 ASP 135.A OD1 no hydrogen 3.248 N/A ARG 116.A NH1 ASP 135.A OD2 no hydrogen 2.862 N/A ARG 116.A NH2 ILE 68.A O no hydrogen 3.027 N/A ARG 116.A NH2 ASP 265.A OD2 no hydrogen 2.461 N/A HIS 117.A N PHE 113.A O no hydrogen 2.628 N/A HIS 117.A ND1 GLN 132.A O no hydrogen 2.850 N/A PHE 118.A N VAL 134.A O no hydrogen 3.023 N/A ALA 120.A N HIS 117.A O no hydrogen 3.107 N/A TYR 122.A OH THR 72.A OG1 no hydrogen 2.847 N/A TYR 122.A OH ASP 106.A OD1 no hydrogen 2.636 N/A ARG 123.A N TYR 129.A OH no hydrogen 2.933 N/A ARG 123.A NH2 ASP 128.A O no hydrogen 3.262 N/A ASP 124.A N SER 127.A OG no hydrogen 3.349 N/A MET 125.A N ASP 106.A OD2 no hydrogen 3.035 N/A GLU 126.A N ASP 124.A OD1 no hydrogen 3.177 N/A SER 127.A N ASP 124.A OD1 no hydrogen 3.192 N/A SER 127.A OG ASP 124.A O no hydrogen 3.332 N/A SER 127.A OG ASP 124.A OD1 no hydrogen 2.768 N/A TYR 129.A OH ASP 124.A O no hydrogen 2.612 N/A SER 130.A N ASP 128.A OD1 no hydrogen 3.054 N/A SER 130.A OG ASP 128.A OD1 no hydrogen 2.499 N/A GLN 132.A N TYR 129.A O no hydrogen 2.800 N/A VAL 134.A N PHE 118.A O no hydrogen 2.867 N/A GLN 136.A NE2 GLN 114.A O no hydrogen 2.862 N/A GLN 136.A NE2 CYS 156.A O no hydrogen 2.793 N/A LEU 137.A N TRP 115.A O no hydrogen 3.098 N/A GLN 138.A N ASP 135.A OD1 no hydrogen 3.205 N/A ARG 139.A N ASP 135.A O no hydrogen 3.136 N/A ARG 139.A NH2 ILE 154.A O no hydrogen 3.565 N/A VAL 140.A N GLN 136.A O no hydrogen 2.859 N/A ILE 141.A N LEU 137.A O no hydrogen 3.140 N/A ASP 142.A N GLN 138.A O no hydrogen 2.818 N/A THR 143.A N ARG 139.A O no hydrogen 2.791 N/A THR 143.A OG1 ARG 139.A O no hydrogen 2.836 N/A ILE 144.A N VAL 140.A O no hydrogen 2.960 N/A LYS 145.A N ILE 141.A O no hydrogen 3.196 N/A THR 146.A N ASP 142.A O no hydrogen 3.109 N/A THR 146.A OG1 ASP 142.A O no hydrogen 3.076 N/A ASN 147.A N THR 143.A O no hydrogen 2.742 N/A ASP 150.A N ASN 147.A O no hydrogen 3.085 N/A ARG 152.A N ASP 150.A OD2 no hydrogen 2.827 N/A MET 155.A N CYS 175.A O no hydrogen 3.031 N/A CYS 156.A N GLN 136.A OE1 no hydrogen 2.741 N/A CYS 156.A SG TRP 158.A O no hydrogen 3.580 N/A CYS 156.A SG ALA 173.A O no hydrogen 3.712 N/A ALA 157.A N ALA 173.A O no hydrogen 2.847 N/A ASN 159.A ND2 GLN 114.A OE1 no hydrogen 2.947 N/A ARG 161.A NH2 GLU 121.A OE1 no hydrogen 2.978 N/A ARG 161.A NH2 GLU 121.A OE2 no hydrogen 3.292 N/A ASP 162.A N ASN 159.A O no hydrogen 2.954 N/A LEU 163.A N ASN 159.A O no hydrogen 2.961 N/A LEU 165.A N ASP 162.A O no hydrogen 2.945 N/A MET 166.A N LEU 163.A O no hydrogen 3.096 N/A ALA 167.A N LEU 107.A O no hydrogen 2.982 N/A CYS 171.A SG SER 192.A O no hydrogen 3.814 N/A HIS 172.A N TYR 111.A OH no hydrogen 3.059 N/A ALA 173.A N TYR 189.A O no hydrogen 3.135 N/A CYS 175.A N MET 155.A O no hydrogen 2.981 N/A CYS 175.A SG MET 155.A O no hydrogen 4.021 N/A GLN 176.A N GLN 187.A O no hydrogen 2.838 N/A PHE 177.A N ILE 153.A O no hydrogen 2.776 N/A TYR 178.A N SER 185.A O no hydrogen 3.212 N/A VAL 180.A N GLU 183.A O no hydrogen 3.205 N/A GLU 183.A N VAL 180.A O no hydrogen 3.208 N/A LEU 184.A N LYS 220.A O no hydrogen 2.995 N/A SER 185.A N TYR 178.A O no hydrogen 2.760 N/A CYS 186.A N ASP 223.A O no hydrogen 2.887 N/A CYS 186.A SG GLN 176.A O no hydrogen 4.012 N/A GLN 187.A N GLN 176.A O no hydrogen 2.765 N/A GLN 187.A NE2 GLN 38.A OE1 no hydrogen 3.214 N/A GLN 187.A NE2 THR 227.A OG1 no hydrogen 2.527 N/A LEU 188.A N ILE 225.A O no hydrogen 2.890 N/A TYR 189.A N LEU 174.A O no hydrogen 2.859 N/A GLN 190.A N THR 227.A O no hydrogen 2.881 N/A GLN 190.A NE2 SER 192.A O no hydrogen 2.871 N/A GLN 190.A NE2 ASN 202.A OD1 no hydrogen 3.048 N/A ARG 191.A N CYS 171.A O no hydrogen 2.836 N/A ARG 191.A NE PRO 170.A O no hydrogen 2.657 N/A ARG 191.A NH2 PRO 169.A O no hydrogen 3.167 N/A GLY 193.A N ASP 230.A O no hydrogen 2.955 N/A MET 195.A N HIS 232.A O no hydrogen 2.901 N/A GLY 196.A N ASP 194.A OD1 no hydrogen 3.226 N/A LEU 197.A N ASP 194.A OD1 no hydrogen 3.168 N/A GLY 198.A N ASP 194.A O no hydrogen 3.112 N/A VAL 199.A N ASP 194.A O no hydrogen 2.956 N/A ASN 202.A N GLY 198.A O no hydrogen 2.942 N/A ILE 203.A N VAL 199.A O no hydrogen 2.876 N/A ALA 204.A N PRO 200.A O no hydrogen 3.216 N/A SER 205.A N PHE 201.A O no hydrogen 2.987 N/A SER 205.A OG PHE 201.A O no hydrogen 3.001 N/A TYR 206.A N ASN 202.A O no hydrogen 3.363 N/A ALA 207.A N ILE 203.A O no hydrogen 3.043 N/A LEU 208.A N ALA 204.A O no hydrogen 2.801 N/A LEU 209.A N SER 205.A O no hydrogen 2.905 N/A THR 210.A N TYR 206.A O no hydrogen 2.951 N/A THR 210.A OG1 TYR 206.A O no hydrogen 2.688 N/A TYR 211.A N ALA 207.A O no hydrogen 3.038 N/A TYR 211.A OH LEU 43.A O no hydrogen 2.819 N/A TYR 211.A OH GLU 46.A O no hydrogen 2.864 N/A MET 212.A N LEU 208.A O no hydrogen 2.853 N/A ILE 213.A N LEU 209.A O no hydrogen 3.002 N/A ALA 214.A N THR 210.A O no hydrogen 2.824 N/A HIS 215.A N TYR 211.A O no hydrogen 2.991 N/A ILE 216.A N MET 212.A O no hydrogen 3.009 N/A THR 217.A N ILE 213.A O no hydrogen 3.005 N/A THR 217.A N ALA 214.A O no hydrogen 3.334 N/A THR 217.A OG1 ILE 213.A O no hydrogen 2.647 N/A THR 217.A OG1 ALA 214.A O no hydrogen 3.425 N/A LEU 219.A N ALA 214.A O no hydrogen 2.896 N/A LYS 220.A N SER 182.A O no hydrogen 2.954 N/A GLY 222.A N LEU 184.A O no hydrogen 2.887 N/A ASP 223.A N SER 185.A OG no hydrogen 2.956 N/A PHE 224.A N TYR 41.A O no hydrogen 2.945 N/A ILE 225.A N CYS 186.A O no hydrogen 2.798 N/A HIS 226.A N ALA 39.A O no hydrogen 2.980 N/A HIS 226.A NE2 GLN 190.A OE1 no hydrogen 2.721 N/A THR 227.A N LEU 188.A O no hydrogen 2.950 N/A THR 227.A OG1 GLN 38.A OE1 no hydrogen 3.088 N/A LEU 228.A N MET 37.A O no hydrogen 2.910 N/A GLY 229.A N GLN 190.A O no hydrogen 2.872 N/A ASP 230.A N ARG 191.A O no hydrogen 3.098 N/A ALA 231.A N VAL 34.A O no hydrogen 2.850 N/A HIS 232.A N GLY 193.A O no hydrogen 2.943 N/A HIS 232.A ND1 ASP 230.A O no hydrogen 3.098 N/A HIS 232.A ND1 ASP 230.A OD1 no hydrogen 3.047 N/A ILE 233.A N LEU 32.A O no hydrogen 2.872 N/A LEU 235.A N GLY 30.A O no hydrogen 3.241 N/A HIS 237.A N TYR 234.A O no hydrogen 2.798 N/A ILE 238.A N LEU 235.A O no hydrogen 3.192 N/A LEU 241.A N HIS 237.A O no hydrogen 2.970 N/A LYS 242.A N ILE 238.A O no hydrogen 2.906 N/A ILE 243.A N GLU 239.A O no hydrogen 3.046 N/A GLN 244.A N PRO 240.A O no hydrogen 2.983 N/A GLN 244.A NE2 THR 52.A OG1 no hydrogen 2.947 N/A LEU 245.A N LEU 241.A O no hydrogen 2.951 N/A GLN 246.A N ILE 243.A O no hydrogen 3.267 N/A ARG 247.A N GLN 244.A O no hydrogen 3.113 N/A ARG 247.A NH1 THR 52.A O no hydrogen 2.771 N/A ARG 247.A NH1 PRO 281.A O no hydrogen 2.892 N/A ARG 250.A N THR 51.A OG1 no hydrogen 2.950 N/A ARG 250.A NH1 ASN 278.A O no hydrogen 2.880 N/A LYS 254.A N GLU 275.A O no hydrogen 2.971 N/A LYS 254.A NZ ASP 45.A O no hydrogen 3.153 N/A ARG 256.A N GLN 273.A O no hydrogen 2.723 N/A LEU 258.A N ASP 271.A O no hydrogen 2.737 N/A ARG 259.A NE ASP 271.A OD1 no hydrogen 2.527 N/A ARG 259.A NH2 ASP 266.A O no hydrogen 2.997 N/A ARG 259.A NH2 ASP 271.A OD2 no hydrogen 3.148 N/A VAL 261.A N HIS 215.A NE2 no hydrogen 3.178 N/A ASP 266.A N LYS 263.A O no hydrogen 2.958 N/A LYS 268.A N ASP 271.A OD2 no hydrogen 2.613 N/A ASP 271.A N LYS 268.A O no hydrogen 2.886 N/A PHE 272.A N ALA 269.A O no hydrogen 3.254 N/A GLN 273.A N ARG 256.A O no hydrogen 2.796 N/A GLU 275.A N LYS 254.A O no hydrogen 2.946 N/A TYR 277.A OH LEU 50.A O no hydrogen 2.617 N/A HIS 280.A N THR 51.A O no hydrogen 2.848 N/A HIS 280.A NE2 GLU 248.A O no hydrogen 3.119 N/A