Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 69.A O no hydrogen 3.034 N/A ARG 5.A NH1 PRO 74.A O no hydrogen 2.762 N/A ARG 5.A NH2 GLN 72.A O no hydrogen 2.704 N/A ARG 5.A NH2 PRO 74.A O no hydrogen 3.429 N/A THR 7.A N PRO 4.A O no hydrogen 3.125 N/A THR 7.A OG1 PRO 4.A O no hydrogen 2.863 N/A LEU 8.A N ARG 5.A O no hydrogen 2.958 N/A LYS 9.A N TYR 26.A O no hydrogen 3.091 N/A VAL 11.A N MET 24.A O no hydrogen 2.811 N/A GLU 12.A N MET 24.A O no hydrogen 3.108 N/A ARG 13.A NH1 GLU 21.A OE2 no hydrogen 2.597 N/A LEU 14.A N VAL 22.A O no hydrogen 2.693 N/A GLY 15.A N VAL 22.A O no hydrogen 3.071 N/A GLY 17.A N GLY 20.A O no hydrogen 2.800 N/A GLN 18.A N ASN 155.A O no hydrogen 3.110 N/A PHE 19.A N GLU 156.A O no hydrogen 2.902 N/A GLU 21.A N SER 37.A O no hydrogen 3.088 N/A VAL 22.A N GLY 15.A O no hydrogen 2.937 N/A TRP 23.A N VAL 35.A O no hydrogen 2.839 N/A TRP 23.A NE1 GLU 21.A OE1 no hydrogen 2.938 N/A MET 24.A N GLU 12.A O no hydrogen 2.739 N/A GLY 25.A N VAL 33.A O no hydrogen 3.015 N/A TYR 26.A N LYS 9.A O no hydrogen 2.977 N/A TYR 27.A N THR 31.A O no hydrogen 2.802 N/A ASN 28.A N THR 7.A O no hydrogen 2.881 N/A HIS 30.A ND1 ASN 28.A O no hydrogen 3.301 N/A THR 31.A N TYR 27.A O no hydrogen 3.059 N/A VAL 33.A N GLY 25.A O no hydrogen 2.850 N/A ALA 34.A N THR 79.A O no hydrogen 2.751 N/A VAL 35.A N TRP 23.A O no hydrogen 2.728 N/A LYS 36.A N ILE 77.A O no hydrogen 2.783 N/A LYS 36.A NZ GLU 51.A OE1 no hydrogen 3.168 N/A LYS 36.A NZ GLU 51.A OE2 no hydrogen 3.073 N/A SER 37.A N GLU 21.A O no hydrogen 2.878 N/A SER 37.A OG GLU 21.A O no hydrogen 3.433 N/A LEU 38.A N ILE 75.A O no hydrogen 3.002 N/A LYS 39.A N PHE 19.A O no hydrogen 2.813 N/A LYS 39.A NZ GLY 17.A O no hydrogen 3.553 N/A LYS 39.A NZ GLN 18.A O no hydrogen 2.694 N/A SER 42.A N LYS 39.A O no hydrogen 3.049 N/A SER 42.A OG LYS 39.A O no hydrogen 2.802 N/A ALA 47.A N SER 44.A OG no hydrogen 3.123 N/A PHE 48.A N SER 44.A O no hydrogen 3.089 N/A LEU 49.A N PRO 45.A O no hydrogen 2.952 N/A ALA 50.A N ASP 46.A O no hydrogen 3.147 N/A GLU 51.A N PHE 48.A O no hydrogen 3.342 N/A ASN 53.A N LEU 49.A O no hydrogen 3.019 N/A LEU 54.A N ALA 50.A O no hydrogen 3.007 N/A MET 55.A N GLU 51.A O no hydrogen 3.136 N/A LYS 56.A N ALA 52.A O no hydrogen 3.105 N/A LYS 56.A NZ ASN 53.A OD1 no hydrogen 3.473 N/A GLN 57.A N ASN 53.A O no hydrogen 3.151 N/A GLN 57.A NE2 ASN 53.A O no hydrogen 3.390 N/A LEU 58.A N LEU 54.A O no hydrogen 2.977 N/A GLN 59.A NE2 LYS 56.A O no hydrogen 2.919 N/A GLN 61.A NE2 GLU 113.A OE2 no hydrogen 3.017 N/A ARG 62.A N HIS 60.A ND1 no hydrogen 3.110 N/A ARG 62.A NE GLU 113.A OE1 no hydrogen 3.042 N/A ARG 62.A NH2 GLU 113.A OE1 no hydrogen 3.567 N/A LEU 63.A N HIS 60.A O no hydrogen 3.065 N/A VAL 64.A N ILE 143.A O no hydrogen 2.936 N/A ARG 65.A N GLU 80.A OE2.A no hydrogen 3.160 N/A TYR 67.A N ILE 78.A O no hydrogen 2.810 N/A ALA 68.A N ILE 78.A O no hydrogen 3.470 N/A VAL 69.A N TRP 1.A O no hydrogen 2.833 N/A VAL 70.A N TYR 76.A O no hydrogen 2.951 N/A THR 71.A N GLU 2.A OE2 no hydrogen 3.023 N/A THR 71.A OG1 GLU 2.A OE1 no hydrogen 2.749 N/A TYR 76.A N VAL 70.A O no hydrogen 3.022 N/A ILE 77.A N LYS 36.A O no hydrogen 2.849 N/A ILE 78.A N ALA 68.A O no hydrogen 2.970 N/A THR 79.A N ALA 34.A O no hydrogen 2.907 N/A THR 79.A OG1 ARG 65.A O no hydrogen 2.487 N/A TYR 81.A N LYS 32.A O no hydrogen 3.250 N/A ASN 84.A N VAL 135.A O no hydrogen 2.936 N/A GLY 85.A N MET 82.A O no hydrogen 3.065 N/A SER 86.A OG ALA 131.A O no hydrogen 2.802 N/A LEU 87.A N ILE 133.A O no hydrogen 2.818 N/A ASP 89.A N SER 86.A O no hydrogen 3.021 N/A PHE 90.A N SER 86.A O no hydrogen 2.894 N/A LEU 91.A N LEU 87.A O no hydrogen 3.000 N/A LYS 92.A N ASP 89.A O no hydrogen 3.051 N/A LYS 92.A NZ VAL 88.A O no hydrogen 3.061 N/A LYS 92.A NZ GLY 196.A O no hydrogen 2.990 N/A THR 93.A N PHE 90.A O no hydrogen 3.056 N/A THR 93.A OG1 PHE 90.A O no hydrogen 2.620 N/A GLY 96.A N THR 93.A OG1 no hydrogen 3.093 N/A ILE 97.A N THR 93.A O no hydrogen 2.816 N/A LYS 98.A N PRO 94.A O no hydrogen 3.369 N/A LEU 99.A N GLY 96.A O no hydrogen 3.154 N/A LYS 103.A N THR 100.A OG1 no hydrogen 3.251 N/A LYS 103.A NZ ASP 106.A OD2 no hydrogen 3.070 N/A LEU 104.A N THR 100.A O no hydrogen 2.931 N/A LEU 105.A N ILE 101.A O no hydrogen 2.918 N/A ASP 106.A N ASN 102.A O no hydrogen 3.063 N/A MET 107.A N.A LYS 103.A O no hydrogen 3.061 N/A MET 107.A N.B LYS 103.A O no hydrogen 3.053 N/A ALA 108.A N LEU 104.A O no hydrogen 2.980 N/A ALA 109.A N LEU 105.A O no hydrogen 2.893 N/A GLN 110.A N ASP 106.A O no hydrogen 3.012 N/A ILE 111.A N MET 107.A O.A no hydrogen 3.103 N/A ILE 111.A N MET 107.A O.B no hydrogen 3.123 N/A ALA 112.A N ALA 108.A O no hydrogen 2.942 N/A GLU 113.A N ALA 109.A O no hydrogen 2.887 N/A GLY 114.A N GLN 110.A O no hydrogen 3.076 N/A MET 115.A N ILE 111.A O no hydrogen 2.941 N/A ALA 116.A N ALA 112.A O no hydrogen 2.761 N/A PHE 117.A N GLU 113.A O no hydrogen 3.165 N/A ILE 118.A N GLY 114.A O no hydrogen 3.082 N/A GLU 119.A N MET 115.A O no hydrogen 2.869 N/A GLU 120.A N ALA 116.A O no hydrogen 2.889 N/A ARG 121.A N PHE 117.A O no hydrogen 3.053 N/A ASN 122.A N GLU 119.A O no hydrogen 3.027 N/A TYR 123.A N ILE 118.A O no hydrogen 3.069 N/A TYR 123.A OH GLN 57.A OE1 no hydrogen 2.692 N/A HIS 125.A N ASP 181.A OD2 no hydrogen 2.633 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.970 N/A ARG 126.A N ASP 181.A OD1 no hydrogen 2.877 N/A ARG 126.A NE LEU 148.A O no hydrogen 2.930 N/A ASN 127.A N HIS 125.A ND1 no hydrogen 3.012 N/A ASN 127.A ND2 ARG 150.A O no hydrogen 2.848 N/A ARG 129.A NE ASP 154.A OD1 no hydrogen 2.913 N/A ARG 129.A NH2 ILE 152.A O no hydrogen 2.950 N/A ARG 129.A NH2 ASP 154.A OD1 no hydrogen 2.726 N/A ALA 130.A N GLU 191.A OE1 no hydrogen 2.924 N/A ASN 132.A N ARG 129.A O no hydrogen 3.059 N/A ILE 133.A N ALA 130.A O no hydrogen 3.223 N/A LEU 134.A N LYS 142.A O no hydrogen 2.814 N/A VAL 135.A N GLY 85.A O no hydrogen 2.867 N/A SER 136.A N SER 140.A O no hydrogen 2.830 N/A SER 136.A OG THR 138.A OG1 no hydrogen 2.898 N/A SER 136.A OG SER 140.A OG no hydrogen 3.059 N/A THR 138.A N SER 136.A OG no hydrogen 3.124 N/A THR 138.A OG1 SER 136.A OG no hydrogen 2.898 N/A LEU 139.A N SER 136.A O no hydrogen 2.909 N/A SER 140.A N SER 136.A OG no hydrogen 3.139 N/A SER 140.A OG SER 136.A OG no hydrogen 3.059 N/A CYS 141.A N GLN 110.A OE1 no hydrogen 2.721 N/A CYS 141.A SG LEU 139.A O no hydrogen 4.030 N/A LYS 142.A N LEU 134.A O no hydrogen 2.849 N/A LYS 142.A NZ GLU 80.A OE1.A no hydrogen 2.691 N/A LYS 142.A NZ GLU 80.A OE2.A no hydrogen 3.172 N/A ILE 143.A N ARG 62.A O no hydrogen 2.747 N/A ALA 144.A N ASN 132.A O no hydrogen 2.823 N/A GLY 147.A N HIS 125.A O no hydrogen 3.285 N/A ARG 150.A NH1 GLU 156.A OE1 no hydrogen 3.345 N/A ARG 150.A NH1 GLU 156.A OE2 no hydrogen 3.013 N/A ARG 150.A NH2 GLU 156.A OE1 no hydrogen 2.669 N/A ILE 152.A N ASN 127.A OD1 no hydrogen 2.920 N/A GLU 153.A N GLU 156.A OE2 no hydrogen 2.996 N/A GLU 156.A N GLU 153.A O no hydrogen 3.317 N/A THR 158.A OG1 ASP 154.A O no hydrogen 3.195 N/A LYS 164.A NZ PRO 199.A O no hydrogen 2.849 N/A LYS 164.A NZ TYR 200.A O no hydrogen 3.280 N/A LYS 164.A NZ MET 203.A O no hydrogen 2.895 N/A TRP 165.A NE1 GLU 191.A OE1 no hydrogen 2.943 N/A THR 166.A N ILE 163.A O.A no hydrogen 3.071 N/A THR 166.A N ILE 163.A O.B no hydrogen 3.083 N/A THR 166.A OG1 ILE 163.A O.A no hydrogen 3.516 N/A THR 166.A OG1 ILE 163.A O.B no hydrogen 3.485 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.818 N/A ALA 170.A N ALA 167.A O no hydrogen 2.915 N/A ILE 171.A N ALA 167.A O no hydrogen 3.018 N/A ASN 172.A N PRO 168.A O no hydrogen 2.844 N/A TYR 173.A N GLU 169.A O no hydrogen 3.016 N/A GLY 174.A N ALA 170.A O no hydrogen 3.012 N/A THR 175.A N GLU 169.A O no hydrogen 3.326 N/A THR 177.A N SER 180.A OG no hydrogen 2.872 N/A LYS 179.A N THR 177.A OG1 no hydrogen 3.049 N/A LYS 179.A NZ ARG 243.A O no hydrogen 2.844 N/A SER 180.A OG THR 177.A O no hydrogen 2.850 N/A ASP 181.A N THR 177.A O no hydrogen 3.286 N/A VAL 182.A N ILE 178.A O no hydrogen 2.974 N/A TRP 183.A N LYS 179.A O no hydrogen 3.167 N/A SER 184.A N SER 180.A O no hydrogen 3.096 N/A SER 184.A OG TRP 165.A O no hydrogen 2.688 N/A SER 184.A OG SER 180.A O no hydrogen 3.203 N/A PHE 185.A N ASP 181.A O no hydrogen 2.767 N/A GLY 186.A N VAL 182.A O no hydrogen 3.076 N/A ILE 187.A N TRP 183.A O no hydrogen 3.160 N/A LEU 188.A N SER 184.A O no hydrogen 2.838 N/A LEU 189.A N PHE 185.A O no hydrogen 2.844 N/A THR 190.A N GLY 186.A O no hydrogen 3.354 N/A THR 190.A OG1 ILE 187.A O no hydrogen 2.619 N/A GLU 191.A N ILE 187.A O no hydrogen 3.220 N/A ILE 192.A N LEU 188.A O no hydrogen 2.985 N/A VAL 193.A N LEU 189.A O no hydrogen 3.137 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.663 N/A THR 194.A OG1 GLU 191.A O no hydrogen 3.505 N/A GLY 196.A N GLU 191.A O no hydrogen 2.902 N/A ARG 197.A N THR 194.A O no hydrogen 3.262 N/A ARG 197.A N THR 194.A OG1 no hydrogen 3.207 N/A ARG 197.A NH1 ILE 198.A O no hydrogen 2.941 N/A MET 203.A N TYR 200.A O no hydrogen 2.940 N/A THR 204.A N GLU 207.A OE1 no hydrogen 2.964 N/A GLU 207.A N THR 204.A OG1 no hydrogen 3.287 N/A VAL 208.A N THR 204.A O no hydrogen 2.917 N/A ILE 209.A N ASN 205.A O no hydrogen 3.066 N/A GLN 210.A N PRO 206.A O no hydrogen 2.957 N/A ASN 211.A N GLU 207.A O no hydrogen 2.896 N/A ASN 211.A ND2 GLU 207.A O no hydrogen 2.893 N/A LEU 212.A N VAL 208.A O no hydrogen 2.826 N/A GLU 213.A N.A ILE 209.A O no hydrogen 3.085 N/A GLU 213.A N.B ILE 209.A O no hydrogen 3.085 N/A GLY 215.A N LEU 212.A O no hydrogen 2.941 N/A TYR 216.A N ASN 211.A O no hydrogen 3.017 N/A ARG 217.A NE TRP 236.A O no hydrogen 2.788 N/A ARG 217.A NH1 TYR 216.A O no hydrogen 2.812 N/A ARG 217.A NH2 TRP 236.A O no hydrogen 2.905 N/A ARG 217.A NH2 GLU 238.A OE1 no hydrogen 2.967 N/A ARG 220.A NH1 CYS 224.A O no hydrogen 2.895 N/A CYS 224.A SG PRO 225.A O no hydrogen 3.514 N/A TYR 229.A N PRO 225.A O no hydrogen 3.042 N/A TYR 229.A OH MET 218.A O no hydrogen 2.675 N/A GLN 230.A N GLU 226.A O no hydrogen 2.977 N/A LEU 231.A N GLU 227.A O no hydrogen 3.117 N/A MET 232.A N LEU 228.A O no hydrogen 2.943 N/A ARG 233.A N TYR 229.A O no hydrogen 2.924 N/A ARG 233.A NH1 TYR 229.A OH no hydrogen 3.009 N/A LEU 234.A N GLN 230.A O no hydrogen 3.061 N/A CYS 235.A N LEU 231.A O no hydrogen 3.053 N/A CYS 235.A SG LEU 231.A O no hydrogen 3.471 N/A TRP 236.A N MET 232.A O no hydrogen 3.038 N/A TRP 236.A N ARG 233.A O no hydrogen 3.261 N/A LYS 237.A N LEU 234.A O no hydrogen 3.283 N/A ARG 239.A NE ASP 242.A OD2 no hydrogen 2.887 N/A ARG 239.A NH2 ASP 242.A OD2 no hydrogen 2.808 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.876 N/A ASP 242.A N ARG 239.A O no hydrogen 3.021 N/A ARG 243.A N PRO 240.A O no hydrogen 3.054 N/A ARG 243.A NE LYS 237.A O no hydrogen 2.840 N/A ARG 243.A NH1 GLU 169.A OE1 no hydrogen 3.469 N/A ARG 243.A NH1 GLU 169.A OE2 no hydrogen 2.827 N/A ARG 243.A NH1 LYS 179.A O no hydrogen 3.015 N/A ARG 243.A NH2 GLU 169.A OE1 no hydrogen 2.865 N/A ARG 243.A NH2 LYS 237.A O no hydrogen 3.181 N/A ARG 243.A NH2 GLU 238.A O no hydrogen 3.042 N/A PHE 246.A N GLU 119.A OE2 no hydrogen 2.866 N/A ASP 247.A N GLU 119.A OE1 no hydrogen 3.125 N/A TYR 248.A N THR 245.A OG1 no hydrogen 3.083 N/A LEU 249.A N THR 245.A O no hydrogen 2.967 N/A ARG 250.A N PHE 246.A O no hydrogen 2.795 N/A ARG 250.A NH1 ASP 247.A OD1 no hydrogen 3.183 N/A ARG 250.A NH2 ASP 247.A OD1 no hydrogen 2.679 N/A SER 251.A N ASP 247.A O no hydrogen 3.198 N/A SER 251.A OG TYR 248.A O no hydrogen 2.729 N/A VAL 252.A N TYR 248.A O no hydrogen 2.950 N/A LEU 253.A N LEU 249.A O no hydrogen 3.004 N/A GLU 254.A N ARG 250.A O no hydrogen 2.871 N/A ASP 255.A N SER 251.A O no hydrogen 3.231 N/A PHE 256.A N LEU 253.A O no hydrogen 3.382 N/A