Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v6l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 2.A OD1 no hydrogen 3.013 N/A GLU 5.A N ASP 2.A O no hydrogen 3.149 N/A TYR 7.A N LYS 232.A O no hydrogen 2.922 N/A TYR 7.A OH ASP 155.A OD1 no hydrogen 2.515 N/A TYR 7.A OH THR 230.A OG1 no hydrogen 3.294 N/A LYS 8.A NZ ASP 10.A OD1 no hydrogen 2.931 N/A HIS 11.A N ASP 82.A OD1 no hydrogen 2.896 N/A HIS 11.A ND1 ASP 82.A OD1 no hydrogen 2.661 N/A ARG 13.A N ASP 80.A O no hydrogen 3.009 N/A ARG 13.A NE ASP 80.A OD1 no hydrogen 3.314 N/A ARG 13.A NE ASP 80.A OD2 no hydrogen 3.321 N/A ARG 13.A NH2 ASP 80.A OD1 no hydrogen 2.670 N/A ARG 14.A NE LEU 51.A O no hydrogen 2.782 N/A ARG 14.A NH1 ASP 82.A OD2 no hydrogen 3.082 N/A ARG 14.A NH2 LEU 51.A O no hydrogen 3.252 N/A ARG 14.A NH2 PHE 236.A O no hydrogen 2.680 N/A ALA 17.A N GLU 54.A O no hydrogen 2.987 N/A LEU 18.A N VAL 85.A O no hydrogen 2.848 N/A ILE 19.A N LYS 56.A O no hydrogen 2.830 N/A PHE 20.A N VAL 87.A O no hydrogen 2.878 N/A ASN 21.A N PHE 58.A O no hydrogen 2.795 N/A ASN 21.A ND2 THR 37.A O no hydrogen 3.286 N/A HIS 22.A N LEU 89.A O no hydrogen 2.791 N/A GLU 23.A N ASP 60.A OD1 no hydrogen 2.849 N/A ARG 24.A N ASP 60.A OD1 no hydrogen 3.112 N/A PHE 26.A N TYR 100.A O no hydrogen 2.817 N/A LEU 29.A N PHE 26.A O no hydrogen 2.897 N/A THR 30.A N TRP 27.A O no hydrogen 3.113 N/A ARG 34.A N GLU 23.A O no hydrogen 2.827 N/A ARG 34.A NH1 HIS 22.A O no hydrogen 2.941 N/A ARG 34.A NH1 THR 37.A OG1 no hydrogen 2.872 N/A THR 37.A N ARG 34.A O no hydrogen 3.217 N/A CYS 38.A SG ASN 21.A OD1 no hydrogen 3.964 N/A CYS 38.A SG GLU 23.A OE1 no hydrogen 3.331 N/A ALA 39.A N GLY 36.A O no hydrogen 3.156 N/A ASP 40.A N GLY 36.A O no hydrogen 3.436 N/A ARG 41.A N THR 37.A O no hydrogen 2.951 N/A ARG 41.A NE ASP 42.A OD1 no hydrogen 2.944 N/A ARG 41.A NH1 ASN 59.A OD1 no hydrogen 2.937 N/A ARG 41.A NH2 ASP 42.A OD1 no hydrogen 2.953 N/A ARG 41.A NH2 ASP 42.A OD2 no hydrogen 3.404 N/A ASP 42.A N CYS 38.A O no hydrogen 3.025 N/A ASN 43.A N ALA 39.A O no hydrogen 2.937 N/A LEU 44.A N ASP 40.A O no hydrogen 2.918 N/A THR 45.A N ARG 41.A O no hydrogen 2.883 N/A THR 45.A OG1 ARG 41.A O no hydrogen 2.945 N/A ARG 46.A N ASP 42.A O no hydrogen 3.018 N/A ARG 47.A N ASN 43.A O no hydrogen 3.095 N/A PHE 48.A N LEU 44.A O no hydrogen 2.905 N/A SER 49.A N THR 45.A O no hydrogen 3.038 N/A SER 49.A OG THR 45.A O no hydrogen 3.024 N/A SER 49.A OG ARG 46.A O no hydrogen 3.203 N/A ASP 50.A N ARG 46.A O no hydrogen 3.079 N/A LEU 51.A N PHE 48.A O no hydrogen 3.164 N/A GLY 52.A N SER 49.A O no hydrogen 2.723 N/A PHE 53.A N PHE 48.A O no hydrogen 3.000 N/A GLU 54.A N GLY 15.A O no hydrogen 3.022 N/A LYS 56.A N ALA 17.A O no hydrogen 2.920 N/A LYS 56.A NZ GLU 54.A OE2 no hydrogen 2.898 N/A CYS 57.A SG THR 45.A OG1 no hydrogen 3.164 N/A PHE 58.A N ILE 19.A O no hydrogen 2.833 N/A ASP 60.A N ASN 21.A O no hydrogen 2.788 N/A LYS 62.A N GLU 65.A OE1 no hydrogen 2.804 N/A ALA 63.A N ASP 101.A OD2 no hydrogen 2.754 N/A LEU 66.A N LYS 62.A O no hydrogen 2.808 N/A LEU 67.A N ALA 63.A O no hydrogen 2.921 N/A LEU 68.A N GLU 64.A O no hydrogen 3.005 N/A LYS 69.A N GLU 65.A O no hydrogen 2.990 N/A ILE 70.A N LEU 66.A O no hydrogen 2.976 N/A HIS 71.A N LEU 67.A O no hydrogen 2.838 N/A GLU 72.A N LEU 68.A O no hydrogen 3.021 N/A VAL 73.A N LYS 69.A O no hydrogen 3.120 N/A SER 74.A N ILE 70.A O no hydrogen 3.035 N/A SER 74.A OG HIS 71.A O no hydrogen 2.857 N/A THR 75.A N GLU 72.A O no hydrogen 3.140 N/A THR 75.A OG1 HIS 71.A O no hydrogen 3.080 N/A THR 75.A OG1 GLU 72.A O no hydrogen 3.223 N/A VAL 76.A N GLU 72.A O no hydrogen 3.058 N/A HIS 78.A N SER 120.A OG no hydrogen 2.709 N/A HIS 78.A NE2 VAL 73.A O no hydrogen 2.771 N/A ALA 79.A N SER 77.A OG no hydrogen 3.216 N/A ALA 81.A N HIS 78.A O no hydrogen 2.872 N/A ASP 82.A N ARG 13.A O no hydrogen 3.033 N/A ASP 82.A N ARG 14.A O no hydrogen 3.083 N/A CYS 83.A N ARG 14.A O no hydrogen 3.060 N/A CYS 83.A SG ARG 14.A O no hydrogen 3.710 N/A PHE 84.A N PRO 125.A O no hydrogen 3.150 N/A VAL 85.A N ILE 16.A O no hydrogen 2.927 N/A CYS 86.A N ILE 127.A O no hydrogen 2.865 N/A VAL 87.A N LEU 18.A O no hydrogen 2.699 N/A PHE 88.A N ILE 129.A O no hydrogen 2.916 N/A LEU 89.A N PHE 20.A O no hydrogen 2.875 N/A SER 90.A N GLN 131.A O no hydrogen 3.206 N/A SER 90.A OG HIS 91.A O no hydrogen 3.440 N/A SER 90.A OG TYR 98.A O no hydrogen 2.607 N/A HIS 91.A NE2 PRO 32.A O no hydrogen 2.696 N/A GLY 92.A N CYS 133.A O no hydrogen 3.012 N/A GLU 93.A N HIS 96.A O no hydrogen 2.845 N/A GLY 94.A N SER 146.A O no hydrogen 2.859 N/A HIS 96.A N GLU 93.A O no hydrogen 2.818 N/A ILE 97.A N ILE 104.A O no hydrogen 2.948 N/A TYR 98.A N HIS 91.A O no hydrogen 2.914 N/A ALA 99.A N ALA 102.A O no hydrogen 2.851 N/A TYR 100.A N LEU 61.A O no hydrogen 2.879 N/A ILE 104.A N ILE 97.A O no hydrogen 2.826 N/A ILE 106.A N ASN 95.A O no hydrogen 2.781 N/A THR 108.A N GLU 105.A O no hydrogen 3.114 N/A THR 108.A OG1 GLU 105.A O no hydrogen 2.857 N/A LEU 109.A N ILE 106.A O no hydrogen 2.879 N/A THR 110.A N ILE 106.A O no hydrogen 2.974 N/A THR 110.A OG1 GLN 107.A O no hydrogen 3.470 N/A GLY 111.A N GLN 107.A O no hydrogen 2.910 N/A LEU 112.A N LEU 109.A O no hydrogen 3.305 N/A PHE 113.A N THR 110.A O no hydrogen 2.998 N/A LYS 114.A N GLY 111.A O no hydrogen 3.388 N/A CYS 118.A N LYS 114.A O no hydrogen 2.882 N/A CYS 118.A N GLY 115.A O no hydrogen 3.315 N/A CYS 118.A SG SER 74.A O no hydrogen 3.513 N/A LEU 121.A N CYS 118.A O no hydrogen 3.097 N/A VAL 122.A N HIS 119.A O no hydrogen 3.113 N/A LYS 124.A N LEU 121.A O no hydrogen 2.826 N/A LYS 124.A NZ HIS 78.A O no hydrogen 3.001 N/A LYS 124.A NZ ALA 79.A O no hydrogen 3.108 N/A LYS 124.A NZ ALA 81.A O no hydrogen 2.973 N/A LYS 124.A NZ SER 120.A O no hydrogen 3.189 N/A LYS 126.A N ASP 155.A O no hydrogen 2.822 N/A LYS 126.A NZ LEU 121.A O no hydrogen 2.852 N/A LYS 126.A NZ LYS 124.A O no hydrogen 2.746 N/A ILE 127.A N PHE 84.A O no hydrogen 2.831 N/A PHE 128.A N LEU 157.A O no hydrogen 2.932 N/A ILE 129.A N CYS 86.A O no hydrogen 2.797 N/A ILE 130.A N CYS 159.A O no hydrogen 2.723 N/A GLN 131.A N PHE 88.A O no hydrogen 2.962 N/A GLY 135.A N HIS 91.A ND1 no hydrogen 3.257 N/A ASN 136.A N ASP 143.A OD1 no hydrogen 3.195 N/A ILE 139.A N THR 172.A OG1 no hydrogen 2.861 N/A GLU 141.A N ARG 170.A O no hydrogen 2.838 N/A ASP 143.A N SER 168.A O no hydrogen 2.945 N/A ALA 145.A N TYR 166.A O no hydrogen 2.935 N/A SER 146.A OG GLY 92.A O no hydrogen 2.783 N/A TYR 148.A N GLY 94.A O no hydrogen 2.957 N/A LEU 150.A N TYR 148.A O no hydrogen 3.052 N/A ASP 155.A N MET 228.A O no hydrogen 2.804 N/A PHE 156.A N GLY 153.A O no hydrogen 2.941 N/A LEU 157.A N LYS 126.A O no hydrogen 2.846 N/A MET 158.A N ALA 226.A O no hydrogen 3.024 N/A CYS 159.A N PHE 128.A O no hydrogen 2.762 N/A CYS 159.A SG PHE 128.A O no hydrogen 3.703 N/A TYR 160.A N CYS 224.A O no hydrogen 2.935 N/A TYR 160.A OH LEU 150.A O no hydrogen 2.484 N/A SER 161.A N ILE 130.A O no hydrogen 2.975 N/A SER 161.A OG GLN 131.A OE1 no hydrogen 3.186 N/A ALA 163.A N VAL 222.A O no hydrogen 2.970 N/A TYR 166.A N ALA 163.A O no hydrogen 3.050 N/A TYR 167.A N LYS 220.A O no hydrogen 2.976 N/A SER 168.A N ASP 143.A O no hydrogen 2.720 N/A SER 168.A OG GLN 131.A OE1 no hydrogen 2.972 N/A HIS 169.A N GLN 221.A OE1 no hydrogen 2.992 N/A ARG 170.A N GLU 141.A O no hydrogen 2.973 N/A ARG 170.A NE ARG 35.A O no hydrogen 2.799 N/A ARG 170.A NH2 GLU 141.A OE1 no hydrogen 3.011 N/A GLU 171.A N GLY 175.A O no hydrogen 2.935 N/A THR 172.A N ILE 139.A O no hydrogen 2.921 N/A THR 172.A OG1 THR 137.A O no hydrogen 3.296 N/A THR 172.A OG1 ILE 139.A O no hydrogen 3.396 N/A VAL 173.A N ASN 138.A OD1 no hydrogen 2.732 N/A ASN 174.A ND2 GLU 171.A OE2 no hydrogen 2.832 N/A GLY 175.A N GLU 171.A O no hydrogen 2.871 N/A SER 176.A N ASP 40.A OD1 no hydrogen 2.811 N/A SER 176.A N ASP 40.A OD2 no hydrogen 3.225 N/A SER 176.A OG ASP 40.A OD2 no hydrogen 2.464 N/A TRP 177.A N HIS 169.A O no hydrogen 3.117 N/A TRP 177.A NE1 GLU 171.A OE1 no hydrogen 3.068 N/A GLN 180.A N SER 176.A O no hydrogen 2.857 N/A ASP 181.A N TRP 177.A O no hydrogen 3.019 N/A LEU 182.A N TYR 178.A O no hydrogen 2.824 N/A CYS 183.A N ILE 179.A O no hydrogen 2.811 N/A CYS 183.A SG ILE 179.A O no hydrogen 3.369 N/A GLU 184.A N GLN 180.A O no hydrogen 2.872 N/A MET 185.A N ASP 181.A O no hydrogen 2.977 N/A LEU 186.A N LEU 182.A O no hydrogen 2.806 N/A GLY 187.A N CYS 183.A O no hydrogen 2.891 N/A LYS 188.A N GLU 184.A O no hydrogen 3.214 N/A LYS 188.A NZ GLU 184.A OE2 no hydrogen 2.763 N/A TYR 189.A N MET 185.A O no hydrogen 2.749 N/A GLY 190.A N LEU 186.A O no hydrogen 2.799 N/A SER 192.A N TYR 189.A O no hydrogen 3.077 N/A SER 192.A OG TYR 189.A O no hydrogen 3.454 N/A LEU 193.A N TYR 189.A O no hydrogen 2.886 N/A GLU 194.A N GLU 197.A OE1 no hydrogen 2.867 N/A PHE 195.A N LEU 233.A O no hydrogen 2.788 N/A THR 196.A OG1 GLU 194.A OE1 no hydrogen 2.516 N/A GLU 197.A N GLU 194.A OE1 no hydrogen 3.125 N/A LEU 198.A N GLU 194.A O no hydrogen 2.952 N/A LEU 199.A N PHE 195.A O no hydrogen 2.825 N/A THR 200.A N THR 196.A O no hydrogen 2.954 N/A THR 200.A OG1 THR 196.A O no hydrogen 2.888 N/A LEU 201.A N GLU 197.A O no hydrogen 3.144 N/A VAL 202.A N LEU 198.A O no hydrogen 3.013 N/A ASN 203.A N LEU 199.A O no hydrogen 2.948 N/A ARG 204.A N THR 200.A O no hydrogen 3.087 N/A LYS 205.A N LEU 201.A O no hydrogen 2.832 N/A VAL 206.A N VAL 202.A O no hydrogen 2.964 N/A GLU 207.A N ASN 203.A O no hydrogen 2.925 N/A GLN 208.A N ARG 204.A O no hydrogen 3.198 N/A ARG 209.A N VAL 206.A O no hydrogen 3.148 N/A ARG 209.A NH1 ASP 181.A OD2 no hydrogen 2.989 N/A GLY 218.A N VAL 211.A O no hydrogen 2.968 N/A LYS 219.A N ALA 216.A O no hydrogen 3.156 N/A LYS 220.A N GLY 218.A O no hydrogen 2.954 N/A LYS 220.A NZ GLU 207.A OE2 no hydrogen 3.019 N/A GLN 221.A NE2 SER 161.A O no hydrogen 2.961 N/A CYS 224.A N TYR 160.A O no hydrogen 3.239 N/A ALA 226.A N MET 158.A O no hydrogen 2.812 N/A MET 228.A N PHE 156.A O no hydrogen 2.961 N/A LEU 229.A N SER 227.A OG no hydrogen 3.083 N/A THR 230.A N TYR 7.A OH no hydrogen 2.951 N/A THR 230.A OG1 TYR 7.A OH no hydrogen 3.294 N/A THR 230.A OG1 ASP 155.A OD1 no hydrogen 3.025 N/A LYS 232.A N GLU 5.A O no hydrogen 3.023 N/A LYS 232.A NZ PRO 3.A O no hydrogen 2.888 N/A LEU 233.A N GLU 194.A OE2 no hydrogen 2.869 N/A LYS 238.A NZ MET 9.A O no hydrogen 3.051 N/A LYS 238.A NZ HIS 11.A O no hydrogen 2.860 N/A LYS 238.A NZ ASP 82.A OD1 no hydrogen 3.428 N/A LYS 238.A NZ ASP 82.A OD2 no hydrogen 2.779 N/A