Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jqg_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.845 N/A ALA 5.A N ARG 28.A O no hydrogen 2.815 N/A VAL 6.A N VAL 88.A O no hydrogen 2.798 N/A VAL 7.A N VAL 30.A O no hydrogen 3.039 N/A THR 8.A N VAL 90.A O no hydrogen 3.171 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.530 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.933 N/A ALA 10.A N HIS 32.A O no hydrogen 2.941 N/A ARG 13.A NH1 LEU 189.A O no hydrogen 3.067 N/A ARG 13.A NH2 LEU 188.A O no hydrogen 2.815 N/A ARG 16.A N LYS 12.A O no hydrogen 3.074 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 3.258 N/A ALA 17.A N ARG 13.A O no hydrogen 3.165 N/A ILE 18.A N ILE 14.A O no hydrogen 3.073 N/A ALA 19.A N GLY 15.A O no hydrogen 2.954 N/A VAL 20.A N ARG 16.A O no hydrogen 3.022 N/A LYS 21.A N ALA 17.A O no hydrogen 2.998 N/A LEU 22.A N ILE 18.A O no hydrogen 2.942 N/A HIS 23.A N ALA 19.A O no hydrogen 2.940 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.615 N/A GLN 24.A N VAL 20.A O no hydrogen 2.769 N/A THR 25.A N LYS 21.A O no hydrogen 2.953 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.689 N/A GLY 26.A N HIS 23.A O no hydrogen 2.934 N/A TYR 27.A N LEU 22.A O no hydrogen 2.984 N/A ARG 28.A N PRO 3.A O no hydrogen 2.870 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.229 N/A ARG 28.A NH2 GLU 1.A OE1 no hydrogen 3.128 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.811 N/A VAL 29.A N THR 54.A O no hydrogen 2.776 N/A VAL 30.A N ALA 5.A O no hydrogen 2.778 N/A ILE 31.A N VAL 56.A O no hydrogen 2.835 N/A HIS 32.A N VAL 7.A O no hydrogen 2.934 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.795 N/A TYR 33.A N CYS 58.A O no hydrogen 3.180 N/A ALA 37.A N ASN 35.A O no hydrogen 2.937 N/A ALA 40.A N SER 36.A O no hydrogen 2.972 N/A VAL 41.A N ALA 37.A O no hydrogen 2.966 N/A SER 42.A N GLU 38.A O no hydrogen 2.875 N/A LEU 43.A N ALA 39.A O no hydrogen 2.821 N/A ALA 44.A N ALA 40.A O no hydrogen 2.951 N/A ASP 45.A N VAL 41.A O no hydrogen 3.048 N/A GLU 46.A N SER 42.A O no hydrogen 3.241 N/A LEU 47.A N LEU 43.A O no hydrogen 2.854 N/A ASN 48.A N ALA 44.A O no hydrogen 2.723 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.866 N/A LYS 49.A N ASP 45.A O no hydrogen 2.856 N/A GLU 50.A N GLU 46.A O no hydrogen 3.320 N/A ARG 51.A N LEU 47.A O no hydrogen 2.976 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.828 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 2.935 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.636 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.615 N/A THR 54.A OG1 ASN 48.A OD1 no hydrogen 3.498 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.712 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.776 N/A VAL 56.A N VAL 29.A O no hydrogen 3.071 N/A CYS 58.A N ILE 31.A O no hydrogen 3.092 N/A CYS 58.A SG SER 78.A OG no hydrogen 3.595 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.039 N/A ALA 60.A N TYR 33.A O no hydrogen 3.127 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.261 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.721 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.492 N/A ASN 64.A N ALA 111.A O no hydrogen 2.942 N/A VAL 67.A N SER 65.A OG no hydrogen 3.196 N/A SER 71.A N VAL 67.A O no hydrogen 2.971 N/A SER 71.A OG VAL 67.A O no hydrogen 3.272 N/A CYS 72.A N LEU 68.A O no hydrogen 2.903 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.456 N/A CYS 72.A SG ALA 120.A O no hydrogen 3.915 N/A GLU 73.A N PRO 69.A O no hydrogen 3.012 N/A GLU 74.A N ALA 70.A O no hydrogen 3.089 N/A ILE 75.A N SER 71.A O no hydrogen 3.103 N/A ILE 76.A N CYS 72.A O no hydrogen 3.232 N/A ASN 77.A N GLU 73.A O no hydrogen 2.989 N/A SER 78.A N GLU 74.A O no hydrogen 2.996 N/A SER 78.A OG GLU 74.A O no hydrogen 2.408 N/A CYS 79.A N ILE 76.A O no hydrogen 3.086 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.240 N/A PHE 80.A N ILE 76.A O no hydrogen 3.350 N/A ARG 81.A N ASN 77.A O no hydrogen 2.894 N/A ARG 81.A NH1 GLU 74.A OE1 no hydrogen 3.451 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 3.394 N/A ARG 81.A NH2 GLU 74.A OE1 no hydrogen 2.653 N/A ALA 82.A N SER 78.A O no hydrogen 3.090 N/A PHE 83.A N CYS 79.A O no hydrogen 2.808 N/A GLY 84.A N PHE 80.A O no hydrogen 2.621 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.477 N/A ARG 85.A NE ASP 87.A OD2 no hydrogen 3.360 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.734 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.710 N/A ASP 87.A N ALA 4.A O no hydrogen 2.763 N/A VAL 88.A N ALA 4.A O no hydrogen 2.986 N/A LEU 89.A N SER 135.A O no hydrogen 3.225 N/A VAL 90.A N VAL 6.A O no hydrogen 2.737 N/A ASN 91.A N VAL 137.A O no hydrogen 2.876 N/A ASN 91.A ND2 ASN 138.A OD1 no hydrogen 2.780 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.988 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.266 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.957 N/A SER 94.A OG ALA 95.A O no hydrogen 3.411 N/A SER 94.A OG ASN 117.A OD1 no hydrogen 2.680 N/A ALA 95.A N THR 116.A OG1 no hydrogen 2.887 N/A TYR 97.A OH GLU 112.A OE1 no hydrogen 2.647 N/A THR 99.A N ALA 150.A O no hydrogen 2.732 N/A THR 99.A OG1 THR 99.A O no hydrogen 2.555 N/A LYS 104.A NZ GLU 112.A OE1 no hydrogen 2.713 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.830 N/A THR 108.A N THR 105.A O no hydrogen 2.993 N/A THR 108.A OG1 THR 105.A OG1 no hydrogen 2.796 N/A GLN 109.A N THR 105.A O no hydrogen 3.084 N/A VAL 110.A N VAL 106.A O no hydrogen 2.844 N/A ALA 111.A N GLU 107.A O no hydrogen 3.006 N/A GLU 112.A N THR 108.A O no hydrogen 2.828 N/A LEU 113.A N GLN 109.A O no hydrogen 2.810 N/A ILE 114.A N VAL 110.A O no hydrogen 2.777 N/A GLY 115.A N ALA 111.A O no hydrogen 3.004 N/A THR 116.A N GLU 112.A O no hydrogen 2.990 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.596 N/A ASN 117.A N LEU 113.A O no hydrogen 3.316 N/A ASN 117.A ND2 ALA 95.A O no hydrogen 2.950 N/A ASN 117.A ND2 LEU 113.A O no hydrogen 3.011 N/A ALA 118.A N ILE 114.A O no hydrogen 2.986 N/A ILE 119.A N ILE 114.A O no hydrogen 2.992 N/A ALA 120.A N GLY 115.A O no hydrogen 2.805 N/A PHE 122.A N ALA 118.A O no hydrogen 3.209 N/A LEU 123.A N ILE 119.A O no hydrogen 3.028 N/A LEU 124.A N ALA 120.A O no hydrogen 2.762 N/A THR 125.A N PRO 121.A O no hydrogen 2.994 N/A THR 125.A OG1 PRO 121.A O no hydrogen 2.682 N/A MET 126.A N PHE 122.A O no hydrogen 3.027 N/A SER 127.A N LEU 123.A O no hydrogen 2.940 N/A SER 127.A OG LEU 123.A O no hydrogen 3.325 N/A PHE 128.A N LEU 124.A O no hydrogen 2.814 N/A ALA 129.A N THR 125.A O no hydrogen 2.989 N/A GLN 130.A N MET 126.A O no hydrogen 2.967 N/A ARG 131.A N SER 127.A O no hydrogen 3.107 N/A ARG 131.A NE ASN 77.A OD1 no hydrogen 2.807 N/A ARG 131.A NH2 ASN 77.A OD1 no hydrogen 2.605 N/A GLN 132.A N ALA 129.A O no hydrogen 2.944 N/A GLN 132.A NE2 CYS 86.A O no hydrogen 3.013 N/A GLN 132.A NE2 PHE 128.A O no hydrogen 3.000 N/A ASN 133.A ND2 VAL 225.A O no hydrogen 2.826 N/A SER 135.A N ASP 87.A O no hydrogen 3.220 N/A ILE 136.A N ARG 178.A O no hydrogen 2.697 N/A VAL 137.A N LEU 89.A O no hydrogen 2.936 N/A ASN 138.A N ASN 180.A O no hydrogen 2.792 N/A ASN 138.A ND2 THR 165.A OG1 no hydrogen 2.969 N/A LEU 139.A N ASN 91.A O no hydrogen 2.864 N/A CYS 140.A N VAL 182.A O no hydrogen 2.819 N/A CYS 140.A SG ASN 138.A O no hydrogen 3.698 N/A ALA 142.A N PRO 184.A O no hydrogen 2.761 N/A MET 143.A N ASP 141.A OD1 no hydrogen 2.993 N/A VAL 144.A N ASP 141.A O no hydrogen 3.419 N/A GLN 146.A N MET 143.A O no hydrogen 2.968 N/A GLN 146.A NE2 SER 244.A O no hydrogen 3.553 N/A PHE 151.A N CYS 148.A O no hydrogen 3.437 N/A TYR 154.A OH ASP 141.A OD2 no hydrogen 2.723 N/A ASN 155.A N PHE 151.A O no hydrogen 2.787 N/A ASN 155.A ND2 VAL 144.A O no hydrogen 2.986 N/A MET 156.A N SER 152.A O no hydrogen 2.652 N/A GLY 157.A N LEU 153.A O no hydrogen 2.917 N/A LYS 158.A N TYR 154.A O no hydrogen 2.862 N/A LYS 158.A NZ ASN 117.A OD1 no hydrogen 3.210 N/A LYS 158.A NZ LEU 139.A O no hydrogen 2.761 N/A HIS 159.A N ASN 155.A O no hydrogen 3.046 N/A HIS 159.A NE2 VAL 144.A O no hydrogen 3.205 N/A ALA 160.A N MET 156.A O no hydrogen 3.153 N/A LEU 161.A N GLY 157.A O no hydrogen 3.162 N/A VAL 162.A N LYS 158.A O no hydrogen 3.055 N/A GLY 163.A N HIS 159.A O no hydrogen 3.175 N/A LEU 164.A N ALA 160.A O no hydrogen 2.809 N/A THR 165.A N LEU 161.A O no hydrogen 2.888 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.757 N/A GLN 166.A N VAL 162.A O no hydrogen 3.089 N/A SER 167.A N GLY 163.A O no hydrogen 2.743 N/A SER 167.A OG GLY 163.A O no hydrogen 3.094 N/A ALA 168.A N LEU 164.A O no hydrogen 2.592 N/A ALA 169.A N THR 165.A O no hydrogen 2.812 N/A LEU 170.A N GLN 166.A O no hydrogen 3.092 N/A GLU 171.A N SER 167.A O no hydrogen 3.071 N/A LEU 172.A N ALA 168.A O no hydrogen 2.855 N/A ALA 173.A N ALA 169.A O no hydrogen 3.120 N/A TYR 175.A N LEU 172.A O no hydrogen 2.888 N/A GLY 176.A N ALA 173.A O no hydrogen 2.944 N/A ILE 177.A N LEU 172.A O no hydrogen 3.260 N/A ARG 178.A N LEU 134.A O no hydrogen 3.052 N/A ARG 178.A NH1 LEU 224.A O no hydrogen 2.873 N/A ARG 178.A NH1 ILE 232.A O no hydrogen 3.017 N/A ARG 178.A NH2 ASN 133.A OD1 no hydrogen 3.325 N/A ARG 178.A NH2 LEU 224.A O no hydrogen 2.735 N/A VAL 179.A N THR 233.A OG1 no hydrogen 2.890 N/A ASN 180.A N ILE 136.A O no hydrogen 2.907 N/A ASN 180.A ND2 ILE 232.A O no hydrogen 3.014 N/A GLY 181.A N SER 235.A O no hydrogen 2.816 N/A VAL 182.A N ASN 138.A O no hydrogen 3.100 N/A ALA 183.A N ILE 237.A O no hydrogen 2.786 N/A SER 187.A OG ALA 212.A O no hydrogen 2.823 N/A MET 193.A N PRO 190.A O no hydrogen 3.152 N/A GLU 196.A N GLU 196.A OE2 no hydrogen 2.878 N/A LYS 198.A N GLY 194.A O no hydrogen 3.011 N/A LYS 198.A NZ VAL 191.A O no hydrogen 3.320 N/A LYS 198.A NZ MET 193.A O no hydrogen 2.720 N/A LYS 198.A NZ GLU 195.A OE1 no hydrogen 2.969 N/A ASP 199.A N GLU 195.A O no hydrogen 2.849 N/A LYS 200.A N GLU 197.A O no hydrogen 3.065 N/A TRP 201.A N LYS 198.A O no hydrogen 3.178 N/A ARG 202.A N LYS 198.A O no hydrogen 2.961 N/A ARG 202.A NE GLU 211.A OE1 no hydrogen 3.368 N/A ARG 202.A NE GLU 211.A OE2 no hydrogen 2.723 N/A ARG 202.A NH1 GLU 195.A OE2 no hydrogen 2.676 N/A ARG 202.A NH1 ASP 199.A OD1 no hydrogen 3.242 N/A ARG 202.A NH2 GLU 211.A OE1 no hydrogen 2.676 N/A ARG 202.A NH2 GLU 211.A OE2 no hydrogen 3.566 N/A ARG 203.A N ASP 199.A O no hydrogen 3.018 N/A LYS 204.A N TRP 201.A O no hydrogen 2.889 N/A VAL 205.A N ARG 202.A O no hydrogen 3.046 N/A LEU 207.A N GLY 241.A O no hydrogen 2.897 N/A GLY 208.A N PRO 206.A O no hydrogen 2.918 N/A ARG 209.A N VAL 205.A O no hydrogen 3.205 N/A ARG 209.A NE ARG 203.A O no hydrogen 3.231 N/A ARG 209.A NH2 ARG 203.A O no hydrogen 3.557 N/A GLU 211.A N GLU 211.A OE2 no hydrogen 2.754 N/A ALA 212.A N VAL 186.A O no hydrogen 2.895 N/A SER 213.A N GLN 216.A OE1 no hydrogen 3.090 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.748 N/A GLN 216.A N SER 213.A OG no hydrogen 2.894 N/A ALA 218.A N ALA 214.A O no hydrogen 2.865 N/A ASP 219.A N GLU 215.A O no hydrogen 2.736 N/A ALA 220.A N ILE 217.A O no hydrogen 3.139 N/A VAL 221.A N ILE 217.A O no hydrogen 3.469 N/A ILE 222.A N ALA 218.A O no hydrogen 2.894 N/A PHE 223.A N ASP 219.A O no hydrogen 3.045 N/A LEU 224.A N ALA 220.A O no hydrogen 2.955 N/A VAL 225.A N VAL 221.A O no hydrogen 2.939 N/A SER 226.A N PHE 223.A O no hydrogen 3.054 N/A SER 226.A OG PHE 223.A O no hydrogen 2.733 N/A SER 228.A N SER 226.A OG no hydrogen 3.038 N/A ALA 229.A N SER 226.A O no hydrogen 3.223 N/A ILE 232.A N ALA 229.A O no hydrogen 3.021 N/A THR 233.A OG1 VAL 179.A O no hydrogen 3.468 N/A GLY 234.A N VAL 179.A O no hydrogen 2.775 N/A SER 235.A N ASN 180.A OD1 no hydrogen 2.980 N/A ILE 237.A N GLY 181.A O no hydrogen 2.881 N/A LYS 238.A NZ SER 244.A OG no hydrogen 3.239 N/A VAL 239.A N ALA 183.A O no hydrogen 2.947 N/A GLY 242.A N ASP 240.A OD1 no hydrogen 2.948 N/A LEU 243.A N ASP 240.A O no hydrogen 3.080 N/A SER 244.A N ASP 240.A OD2 no hydrogen 3.068 N/A SER 244.A OG ASP 240.A OD2 no hydrogen 2.688 N/A LEU 245.A N GLY 242.A O no hydrogen 3.200 N/A VAL 246.A N LEU 243.A O no hydrogen 3.283 N/A HIS 247.A ND1 ALA 248.A OXT no hydrogen 3.061 N/A