Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cpc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH GLU 9.A OE1 no hydrogen 2.720 N/A TRP 8.A N ASP 4.A O no hydrogen 3.249 N/A GLU 9.A N ALA 5.A O no hydrogen 2.998 N/A PHE 10.A N ALA 79.A O no hydrogen 2.840 N/A ARG 12.A NE PRO 86.A O no hydrogen 3.028 N/A ARG 12.A NH1 LYS 82.A O no hydrogen 2.724 N/A ARG 12.A NH1 PRO 86.A O no hydrogen 3.145 N/A ARG 12.A NH2 LYS 82.A O no hydrogen 2.753 N/A ARG 14.A N PRO 11.A O no hydrogen 3.251 N/A ARG 14.A NH2 PHE 29.A O no hydrogen 3.474 N/A LEU 15.A N ARG 12.A O no hydrogen 3.212 N/A LYS 16.A N ASP 27.A O no hydrogen 2.791 N/A GLY 18.A N GLU 25.A O no hydrogen 2.704 N/A LEU 21.A N VAL 23.A O no hydrogen 2.625 N/A ILE 24.A N VAL 42.A O no hydrogen 2.766 N/A GLU 25.A N LYS 19.A O no hydrogen 3.000 N/A ALA 26.A N VAL 40.A O no hydrogen 2.905 N/A ASP 27.A N LYS 16.A O no hydrogen 2.843 N/A ALA 28.A N ARG 38.A O no hydrogen 2.749 N/A PHE 29.A N ARG 14.A O no hydrogen 2.858 N/A GLY 30.A N THR 36.A O no hydrogen 2.534 N/A ARG 38.A N ALA 28.A O no hydrogen 2.868 N/A ARG 38.A NH1 ASP 32.A OD1 no hydrogen 2.687 N/A VAL 40.A N ALA 26.A O no hydrogen 2.729 N/A ALA 41.A N THR 91.A O no hydrogen 3.064 N/A VAL 42.A N ILE 24.A O no hydrogen 2.760 N/A LYS 43.A N VAL 89.A O no hydrogen 2.850 N/A LYS 43.A NZ ASP 171.A O no hydrogen 2.729 N/A LYS 43.A NZ PHE 172.A O no hydrogen 3.375 N/A MET 44.A N GLN 22.A O no hydrogen 3.016 N/A THR 50.A N GLU 53.A OE1 no hydrogen 2.908 N/A THR 50.A OG1 SER 52.A OG no hydrogen 3.207 N/A THR 50.A OG1 GLU 53.A OE1 no hydrogen 3.161 N/A SER 52.A OG THR 50.A OG1 no hydrogen 3.207 N/A GLU 53.A N THR 50.A OG1 no hydrogen 3.291 N/A HIS 54.A N THR 50.A O no hydrogen 3.165 N/A ARG 55.A N HIS 51.A O no hydrogen 3.182 N/A ALA 56.A N SER 52.A O no hydrogen 3.101 N/A LEU 57.A N GLU 53.A O no hydrogen 3.473 N/A MET 58.A N HIS 54.A O no hydrogen 3.121 N/A SER 59.A N ARG 55.A O no hydrogen 2.805 N/A SER 59.A OG ARG 55.A O no hydrogen 3.200 N/A GLU 60.A N ALA 56.A O no hydrogen 3.114 N/A LEU 61.A N LEU 57.A O no hydrogen 2.944 N/A LYS 62.A N MET 58.A O no hydrogen 3.022 N/A ILE 63.A N SER 59.A O no hydrogen 3.068 N/A LEU 64.A N GLU 60.A O no hydrogen 3.064 N/A ILE 65.A N LEU 61.A O no hydrogen 3.020 N/A HIS 66.A N LYS 62.A O no hydrogen 2.819 N/A ILE 67.A N ILE 63.A O no hydrogen 2.802 N/A GLY 68.A N LEU 64.A O no hydrogen 3.376 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 2.965 N/A ASN 72.A ND2 GLN 136.A OE1 no hydrogen 3.068 N/A ASN 72.A ND2 VAL 167.A O no hydrogen 3.009 N/A VAL 73.A N HIS 70.A O no hydrogen 3.190 N/A VAL 74.A N ILE 169.A O no hydrogen 2.900 N/A ASN 75.A N GLU 92.A OE2 no hydrogen 3.005 N/A ASN 75.A ND2 HIS 70.A O no hydrogen 3.046 N/A ASN 75.A ND2 VAL 73.A O no hydrogen 2.511 N/A LEU 77.A N ILE 90.A O no hydrogen 2.778 N/A GLY 78.A N ILE 90.A O no hydrogen 3.236 N/A ALA 79.A N TRP 8.A O no hydrogen 2.988 N/A CYS 80.A N MET 88.A O no hydrogen 2.841 N/A CYS 80.A SG PHE 10.A O no hydrogen 3.234 N/A THR 81.A N GLU 9.A OE2 no hydrogen 2.956 N/A THR 81.A OG1 GLU 9.A OE1 no hydrogen 2.701 N/A LYS 82.A N GLU 9.A OE2 no hydrogen 3.098 N/A MET 88.A N CYS 80.A O no hydrogen 2.872 N/A VAL 89.A N LYS 43.A O no hydrogen 2.861 N/A ILE 90.A N GLY 78.A O no hydrogen 2.928 N/A THR 91.A N ALA 41.A O no hydrogen 2.860 N/A THR 91.A OG1 GLU 92.A O no hydrogen 3.012 N/A GLU 92.A N ASN 75.A O no hydrogen 2.854 N/A GLY 97.A N CYS 94.A O no hydrogen 3.342 N/A ASN 98.A ND2 THR 101.A OG1 no hydrogen 2.858 N/A LEU 99.A N ILE 159.A O no hydrogen 2.715 N/A THR 101.A N ASN 98.A OD1 no hydrogen 2.986 N/A TYR 102.A N ASN 98.A O no hydrogen 3.241 N/A LEU 103.A N LEU 99.A O no hydrogen 2.925 N/A ARG 104.A N SER 100.A O no hydrogen 3.121 N/A ARG 104.A NE GLY 208.A O no hydrogen 2.796 N/A ARG 104.A NH2 SER 100.A OG no hydrogen 3.156 N/A SER 105.A N THR 101.A O no hydrogen 3.234 N/A SER 105.A N TYR 102.A O no hydrogen 3.066 N/A SER 105.A OG TYR 102.A O no hydrogen 2.698 N/A LYS 106.A N LEU 103.A O no hydrogen 3.164 N/A LYS 106.A NZ GLU 109.A OE2 no hydrogen 2.674 N/A LYS 106.A NZ ASP 123.A O no hydrogen 2.677 N/A ARG 107.A NE LEU 207.A O no hydrogen 2.930 N/A ARG 107.A NH1 LEU 207.A O no hydrogen 2.976 N/A GLU 109.A N LYS 106.A O no hydrogen 2.808 N/A VAL 111.A N LEU 125.A O no hydrogen 3.029 N/A LYS 114.A NZ TYR 121.A O no hydrogen 2.965 N/A LEU 120.A N PRO 117.A O no hydrogen 3.337 N/A TYR 121.A N GLU 118.A O no hydrogen 3.026 N/A PHE 124.A N TYR 121.A O no hydrogen 3.146 N/A LEU 125.A N GLU 109.A O no hydrogen 2.789 N/A THR 126.A N HIS 129.A ND1 no hydrogen 3.210 N/A THR 126.A OG1 HIS 129.A ND1 no hydrogen 2.857 N/A LEU 127.A N PRO 112.A O no hydrogen 3.078 N/A HIS 129.A ND1 THR 126.A OG1 no hydrogen 2.857 N/A LEU 130.A N THR 126.A O no hydrogen 3.284 N/A ILE 131.A N LEU 127.A O no hydrogen 2.949 N/A CYS 132.A N GLU 128.A O no hydrogen 2.810 N/A TYR 133.A N HIS 129.A O no hydrogen 2.805 N/A SER 134.A N LEU 130.A O no hydrogen 3.218 N/A SER 134.A OG LEU 130.A O no hydrogen 2.831 N/A PHE 135.A N ILE 131.A O no hydrogen 2.864 N/A GLN 136.A N CYS 132.A O no hydrogen 2.988 N/A GLN 136.A NE2 CYS 132.A O no hydrogen 3.492 N/A GLN 136.A NE2 ASN 165.A O no hydrogen 2.859 N/A VAL 137.A N TYR 133.A O no hydrogen 3.078 N/A ALA 138.A N SER 134.A O no hydrogen 2.986 N/A LYS 139.A N PHE 135.A O no hydrogen 3.020 N/A GLY 140.A N GLN 136.A O no hydrogen 3.070 N/A MET 141.A N VAL 137.A O no hydrogen 2.905 N/A GLU 142.A N ALA 138.A O no hydrogen 2.854 N/A PHE 143.A N LYS 139.A O no hydrogen 2.950 N/A LEU 144.A N GLY 140.A O no hydrogen 2.983 N/A ALA 145.A N MET 141.A O no hydrogen 2.844 N/A SER 146.A N GLU 142.A O no hydrogen 3.088 N/A SER 146.A OG GLU 142.A O no hydrogen 2.759 N/A ARG 147.A N LEU 144.A O no hydrogen 3.006 N/A ARG 147.A NE ILE 67.A O no hydrogen 3.227 N/A ARG 147.A NH2 PHE 143.A O no hydrogen 2.986 N/A LYS 148.A N ALA 145.A O no hydrogen 3.137 N/A CYS 149.A N LEU 144.A O no hydrogen 3.037 N/A CYS 149.A SG ARG 147.A O no hydrogen 3.503 N/A HIS 151.A N ASP 193.A OD2 no hydrogen 2.765 N/A HIS 151.A NE2 CYS 170.A O no hydrogen 2.840 N/A ARG 152.A N ASP 193.A OD1 no hydrogen 3.114 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 3.174 N/A ALA 156.A N GLU 203.A OE1 no hydrogen 2.936 N/A ARG 157.A NH1 ASP 153.A OD1 no hydrogen 3.151 N/A ARG 157.A NH2 ASP 153.A OD1 no hydrogen 2.896 N/A ARG 157.A NH2 ASP 153.A OD2 no hydrogen 2.692 N/A ASN 158.A N ALA 155.A O no hydrogen 2.914 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.853 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 2.897 N/A ILE 159.A N ALA 156.A O no hydrogen 3.140 N/A LEU 160.A N LYS 168.A O no hydrogen 2.726 N/A LEU 161.A N GLY 97.A O no hydrogen 2.914 N/A SER 162.A N VAL 166.A O no hydrogen 2.718 N/A GLU 163.A N SER 162.A OG no hydrogen 2.748 N/A VAL 166.A N GLU 163.A O no hydrogen 3.306 N/A VAL 167.A N GLN 136.A OE1 no hydrogen 2.897 N/A LYS 168.A N LEU 160.A O no hydrogen 2.790 N/A LYS 168.A NZ LEU 71.A O no hydrogen 2.869 N/A LYS 168.A NZ GLU 92.A OE1 no hydrogen 3.511 N/A LYS 168.A NZ GLU 92.A OE2 no hydrogen 2.719 N/A ILE 169.A N ASN 72.A O no hydrogen 2.770 N/A CYS 170.A N ASN 158.A O no hydrogen 2.875 N/A CYS 170.A SG ASN 158.A O no hydrogen 3.431 N/A CYS 170.A SG ASN 158.A OD1 no hydrogen 3.911 N/A PHE 172.A N ASN 158.A OD1 no hydrogen 2.914 N/A LYS 176.A N LEU 173.A O no hydrogen 3.076 N/A LYS 176.A NZ PRO 211.A O no hydrogen 3.290 N/A TRP 177.A N PRO 174.A O no hydrogen 3.021 N/A TRP 177.A NE1 GLU 203.A OE1 no hydrogen 2.889 N/A MET 178.A N LEU 175.A O no hydrogen 3.285 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.878 N/A THR 182.A OG1 VAL 187.A O no hydrogen 2.686 N/A ILE 183.A N ALA 179.A O no hydrogen 2.929 N/A PHE 184.A N PRO 180.A O no hydrogen 2.862 N/A ASP 185.A N GLU 181.A O no hydrogen 2.972 N/A VAL 187.A N GLU 181.A O no hydrogen 3.263 N/A THR 189.A N SER 192.A OG no hydrogen 2.985 N/A THR 189.A OG1 GLN 191.A OE1 no hydrogen 2.964 N/A SER 192.A N THR 189.A O no hydrogen 3.112 N/A SER 192.A N THR 189.A OG1 no hydrogen 3.342 N/A SER 192.A OG THR 189.A O no hydrogen 2.714 N/A ASP 193.A N THR 189.A O no hydrogen 3.246 N/A VAL 194.A N ILE 190.A O no hydrogen 3.129 N/A TRP 195.A N GLN 191.A O no hydrogen 3.311 N/A SER 196.A N SER 192.A O no hydrogen 3.244 N/A SER 196.A OG TRP 177.A O no hydrogen 2.597 N/A SER 196.A OG SER 192.A O no hydrogen 3.375 N/A PHE 197.A N ASP 193.A O no hydrogen 2.852 N/A GLY 198.A N VAL 194.A O no hydrogen 3.074 N/A VAL 199.A N TRP 195.A O no hydrogen 3.238 N/A LEU 200.A N SER 196.A O no hydrogen 2.820 N/A LEU 201.A N PHE 197.A O no hydrogen 2.752 N/A TRP 202.A N GLY 198.A O no hydrogen 3.138 N/A TRP 202.A NE1 ARG 232.A O no hydrogen 2.957 N/A GLU 203.A N VAL 199.A O no hydrogen 3.046 N/A ILE 204.A N LEU 200.A O no hydrogen 2.965 N/A PHE 205.A N LEU 201.A O no hydrogen 2.964 N/A SER 206.A OG TRP 202.A O no hydrogen 2.865 N/A SER 206.A OG GLU 203.A O no hydrogen 3.134 N/A LEU 207.A N ILE 204.A O no hydrogen 2.989 N/A GLY 208.A N GLU 203.A O no hydrogen 2.801 N/A ALA 209.A N SER 206.A OG no hydrogen 3.303 N/A VAL 215.A N TYR 212.A O no hydrogen 3.175 N/A PHE 221.A N ASP 218.A OD2 no hydrogen 3.187 N/A CYS 222.A N ASP 218.A O no hydrogen 3.455 N/A CYS 222.A SG ASP 218.A O no hydrogen 3.667 N/A ARG 223.A N GLU 219.A O no hydrogen 2.955 N/A ARG 223.A NE GLU 227.A OE1 no hydrogen 3.378 N/A ARG 223.A NE GLU 227.A OE2 no hydrogen 3.167 N/A ARG 223.A NH2 GLU 227.A OE1 no hydrogen 3.062 N/A ARG 224.A N GLU 220.A O no hydrogen 2.988 N/A LEU 225.A N PHE 221.A O no hydrogen 3.033 N/A LYS 226.A N CYS 222.A O no hydrogen 2.995 N/A GLU 227.A N ARG 223.A O no hydrogen 3.022 N/A GLY 228.A N LEU 225.A O no hydrogen 3.224 N/A THR 229.A N ARG 224.A O no hydrogen 2.869 N/A THR 229.A OG1 ARG 224.A O no hydrogen 3.468 N/A ARG 230.A NE TRP 249.A O no hydrogen 2.920 N/A ARG 230.A NH1 TRP 249.A O no hydrogen 2.972 N/A ARG 230.A NH2 LEU 225.A O no hydrogen 2.862 N/A ARG 230.A NH2 THR 229.A O no hydrogen 2.826 N/A TYR 236.A N PHE 205.A O no hydrogen 2.877 N/A THR 237.A N PRO 234.A O no hydrogen 3.500 N/A THR 237.A OG1 THR 238.A O no hydrogen 2.895 N/A MET 241.A N THR 238.A OG1 no hydrogen 3.227 N/A TYR 242.A N THR 238.A O no hydrogen 3.113 N/A TYR 242.A OH MET 231.A O no hydrogen 2.681 N/A GLN 243.A N PRO 239.A O no hydrogen 3.143 N/A GLN 243.A NE2 ASP 247.A OD1 no hydrogen 3.108 N/A THR 244.A N GLU 240.A O no hydrogen 3.021 N/A THR 244.A OG1 GLU 240.A O no hydrogen 3.006 N/A MET 245.A N MET 241.A O no hydrogen 3.099 N/A LEU 246.A N TYR 242.A O no hydrogen 3.021 N/A ASP 247.A N GLN 243.A O no hydrogen 2.930 N/A CYS 248.A N THR 244.A O no hydrogen 3.024 N/A CYS 248.A SG THR 244.A O no hydrogen 3.280 N/A TRP 249.A N MET 245.A O no hydrogen 2.943 N/A HIS 250.A N ASP 247.A O no hydrogen 3.313 N/A GLU 252.A N HIS 250.A ND1 no hydrogen 2.976 N/A GLN 255.A N GLU 252.A O no hydrogen 2.857 N/A ARG 256.A N PRO 253.A O no hydrogen 3.364 N/A ARG 256.A NE HIS 250.A O no hydrogen 2.767 N/A ARG 256.A NH1 GLU 181.A OE1 no hydrogen 3.534 N/A ARG 256.A NH1 GLU 181.A OE2 no hydrogen 2.811 N/A ARG 256.A NH1 GLN 191.A O no hydrogen 3.013 N/A ARG 256.A NH2 GLU 181.A OE1 no hydrogen 2.969 N/A ARG 256.A NH2 HIS 250.A O no hydrogen 2.999 N/A THR 258.A N GLU 261.A OE1 no hydrogen 3.053 N/A SER 260.A OG GLU 142.A OE2 no hydrogen 3.023 N/A GLU 261.A N THR 258.A OG1 no hydrogen 3.031 N/A LEU 262.A N THR 258.A O no hydrogen 2.962 N/A VAL 263.A N PHE 259.A O no hydrogen 2.815 N/A GLU 264.A N SER 260.A O no hydrogen 3.234 N/A HIS 265.A N GLU 261.A O no hydrogen 2.967 N/A LEU 266.A N LEU 262.A O no hydrogen 2.870 N/A GLY 267.A N VAL 263.A O no hydrogen 3.006 N/A ASN 268.A N GLU 264.A O no hydrogen 3.030 N/A LEU 269.A N HIS 265.A O no hydrogen 3.064 N/A LEU 270.A N LEU 266.A O no hydrogen 2.865 N/A GLN 271.A N GLY 267.A O no hydrogen 3.124 N/A ALA 272.A N ASN 268.A O no hydrogen 2.943 N/A ASN 273.A N LEU 269.A O no hydrogen 2.988 N/A ALA 274.A N LEU 270.A O no hydrogen 3.031 N/A GLN 275.A N GLN 271.A O no hydrogen 2.960 N/A GLN 276.A N ALA 272.A O no hydrogen 2.913 N/A ASP 277.A N ASN 273.A O no hydrogen 2.882 N/A ARG 278.A N ALA 274.A O no hydrogen 3.012 N/A HIS 279.A N GLN 275.A O no hydrogen 3.296 N/A HIS 279.A ND1 GLN 275.A O no hydrogen 2.962 N/A HIS 280.A N GLN 276.A O no hydrogen 3.001 N/A HIS 281.A N ASP 277.A O no hydrogen 2.839 N/A HIS 282.A N ARG 278.A O no hydrogen 3.100 N/A HIS 283.A N HIS 279.A O no hydrogen 3.195 N/A HIS 284.A ND1 HIS 280.A O no hydrogen 2.867 N/A