Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jq7_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLU 1.A OE1.B no hydrogen 3.117 N/A ALA 4.A N ASP 86.A OD1 no hydrogen 2.851 N/A ALA 5.A N ARG 28.A O no hydrogen 2.808 N/A VAL 6.A N VAL 87.A O no hydrogen 2.859 N/A VAL 7.A N VAL 30.A O no hydrogen 3.061 N/A THR 8.A N VAL 89.A O no hydrogen 3.061 N/A THR 8.A OG1 VAL 89.A O no hydrogen 3.398 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.897 N/A ALA 10.A N HIS 32.A O no hydrogen 2.862 N/A LYS 12.A NZ.A SER 36.A OG no hydrogen 3.218 N/A ARG 13.A NH1 LEU 187.A O no hydrogen 3.003 N/A ARG 13.A NH2 LEU 186.A O no hydrogen 2.840 N/A ARG 16.A N LYS 12.A O no hydrogen 3.125 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 3.221 N/A ALA 17.A N ARG 13.A O no hydrogen 3.261 N/A ILE 18.A N ILE 14.A O no hydrogen 2.942 N/A ALA 19.A N GLY 15.A O no hydrogen 2.844 N/A VAL 20.A N ARG 16.A O no hydrogen 2.781 N/A LYS 21.A N ALA 17.A O no hydrogen 2.921 N/A LEU 22.A N ILE 18.A O no hydrogen 2.895 N/A HIS 23.A N ALA 19.A O no hydrogen 2.927 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.643 N/A GLN 24.A N VAL 20.A O no hydrogen 2.878 N/A THR 25.A N LYS 21.A O no hydrogen 3.034 N/A THR 25.A N LEU 22.A O no hydrogen 2.989 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.951 N/A GLY 26.A N LEU 22.A O no hydrogen 3.173 N/A GLY 26.A N HIS 23.A O no hydrogen 2.963 N/A TYR 27.A N LEU 22.A O no hydrogen 3.046 N/A ARG 28.A N PRO 3.A O no hydrogen 2.869 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.264 N/A ARG 28.A NH2 GLU 1.A OE1.A no hydrogen 3.182 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.754 N/A VAL 29.A N THR 54.A O no hydrogen 2.804 N/A VAL 30.A N ALA 5.A O no hydrogen 2.817 N/A ILE 31.A N VAL 56.A O no hydrogen 2.772 N/A HIS 32.A N VAL 7.A O no hydrogen 3.073 N/A HIS 32.A NE2 ALA 59.A O no hydrogen 2.851 N/A ALA 37.A N ASN 35.A O no hydrogen 3.045 N/A ALA 40.A N SER 36.A O no hydrogen 2.925 N/A VAL 41.A N ALA 37.A O no hydrogen 2.907 N/A SER 42.A N GLU 38.A O no hydrogen 2.904 N/A LEU 43.A N ALA 39.A O no hydrogen 3.023 N/A ALA 44.A N ALA 40.A O no hydrogen 2.971 N/A ASP 45.A N VAL 41.A O no hydrogen 2.937 N/A GLU 46.A N SER 42.A O no hydrogen 3.063 N/A LEU 47.A N LEU 43.A O no hydrogen 2.936 N/A ASN 48.A N ALA 44.A O no hydrogen 2.828 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 3.020 N/A LYS 49.A N ASP 45.A O no hydrogen 2.975 N/A GLU 50.A N GLU 46.A O no hydrogen 3.349 N/A ARG 51.A N LEU 47.A O no hydrogen 3.009 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.855 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 2.893 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.894 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.643 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.748 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.976 N/A VAL 56.A N VAL 29.A O no hydrogen 3.069 N/A GLN 58.A NE2 HIS 34.A O no hydrogen 3.116 N/A ALA 59.A N TYR 33.A O no hydrogen 2.945 N/A THR 62.A N ASP 60.A OD1 no hydrogen 2.981 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.606 N/A THR 62.A OG1 ASP 60.A OD2 no hydrogen 3.505 N/A ASN 63.A N ALA 109.A O no hydrogen 2.925 N/A VAL 66.A N SER 64.A OG no hydrogen 2.954 N/A LEU 67.A N SER 64.A O no hydrogen 3.367 N/A SER 70.A N VAL 66.A O no hydrogen 2.983 N/A SER 70.A OG VAL 66.A O no hydrogen 3.342 N/A CYS 71.A N LEU 67.A O no hydrogen 2.840 N/A CYS 71.A SG LEU 67.A O no hydrogen 3.433 N/A CYS 71.A SG ALA 118.A O no hydrogen 3.943 N/A GLU 72.A N PRO 68.A O no hydrogen 2.956 N/A GLU 73.A N ALA 69.A O no hydrogen 2.965 N/A ILE 74.A N SER 70.A O no hydrogen 3.039 N/A ILE 75.A N CYS 71.A O no hydrogen 3.242 N/A ASN 76.A N GLU 72.A O no hydrogen 2.924 N/A SER 77.A N GLU 73.A O no hydrogen 2.841 N/A SER 77.A OG ILE 74.A O no hydrogen 2.896 N/A CYS 78.A N ILE 74.A O no hydrogen 3.469 N/A CYS 78.A SG ARG 84.A O no hydrogen 3.380 N/A PHE 79.A N ILE 75.A O no hydrogen 3.308 N/A ARG 80.A N ASN 76.A O no hydrogen 2.821 N/A ARG 80.A NH2 GLU 73.A OE1 no hydrogen 2.687 N/A ARG 80.A NH2 GLU 73.A OE2 no hydrogen 3.456 N/A ALA 81.A N SER 77.A O no hydrogen 2.907 N/A PHE 82.A N CYS 78.A O no hydrogen 2.921 N/A GLY 83.A N PHE 79.A O no hydrogen 2.707 N/A ARG 84.A NE ASP 86.A OD1 no hydrogen 2.729 N/A ARG 84.A NH1 GLU 1.A OE2.A no hydrogen 2.809 N/A ARG 84.A NH2 ASP 86.A OD1 no hydrogen 3.403 N/A ARG 84.A NH2 ASP 86.A OD2 no hydrogen 2.742 N/A CYS 85.A SG VAL 87.A O no hydrogen 3.899 N/A ASP 86.A N ALA 4.A O no hydrogen 2.802 N/A VAL 87.A N ALA 4.A O no hydrogen 3.094 N/A LEU 88.A N SER 133.A O no hydrogen 3.179 N/A VAL 89.A N VAL 6.A O no hydrogen 2.735 N/A ASN 90.A N VAL 135.A O no hydrogen 2.894 N/A ASN 90.A ND2 ASN 136.A OD1 no hydrogen 2.829 N/A ASN 91.A N THR 8.A OG1 no hydrogen 2.922 N/A ASN 91.A ND2 THR 8.A O no hydrogen 3.122 N/A ALA 92.A N THR 8.A OG1 no hydrogen 2.996 N/A SER 93.A OG ALA 94.A O no hydrogen 3.340 N/A SER 93.A OG ASN 115.A OD1 no hydrogen 2.792 N/A ALA 94.A N THR 114.A OG1 no hydrogen 3.008 N/A TYR 96.A OH GLU 110.A OE1 no hydrogen 2.592 N/A THR 98.A N ALA 148.A O no hydrogen 2.780 N/A LYS 102.A NZ GLU 110.A OE1 no hydrogen 2.700 N/A THR 103.A OG1 THR 106.A OG1 no hydrogen 3.125 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.858 N/A THR 106.A N THR 103.A OG1 no hydrogen 3.201 N/A THR 106.A OG1 THR 103.A OG1 no hydrogen 3.125 N/A GLN 107.A N THR 103.A O no hydrogen 3.035 N/A VAL 108.A N VAL 104.A O no hydrogen 2.922 N/A ALA 109.A N GLU 105.A O no hydrogen 3.015 N/A GLU 110.A N THR 106.A O no hydrogen 2.845 N/A LEU 111.A N GLN 107.A O no hydrogen 2.854 N/A ILE 112.A N VAL 108.A O no hydrogen 2.877 N/A GLY 113.A N ALA 109.A O no hydrogen 2.919 N/A THR 114.A N GLU 110.A O no hydrogen 2.952 N/A THR 114.A OG1 GLU 110.A O no hydrogen 2.710 N/A ASN 115.A N LEU 111.A O no hydrogen 3.304 N/A ASN 115.A ND2 ALA 94.A O no hydrogen 3.089 N/A ASN 115.A ND2 LEU 111.A O no hydrogen 2.943 N/A ALA 116.A N ILE 112.A O no hydrogen 2.928 N/A ILE 117.A N ILE 112.A O no hydrogen 3.025 N/A ALA 118.A N GLY 113.A O no hydrogen 2.816 N/A PHE 120.A N ALA 116.A O no hydrogen 2.986 N/A LEU 121.A N ILE 117.A O no hydrogen 2.855 N/A LEU 122.A N ALA 118.A O no hydrogen 2.785 N/A THR 123.A N PRO 119.A O no hydrogen 2.912 N/A THR 123.A OG1 PRO 119.A O no hydrogen 2.676 N/A MET 124.A N PHE 120.A O no hydrogen 2.927 N/A SER 125.A N LEU 121.A O no hydrogen 2.955 N/A SER 125.A OG LEU 121.A O no hydrogen 3.381 N/A PHE 126.A N LEU 122.A O no hydrogen 2.758 N/A ALA 127.A N THR 123.A O no hydrogen 2.898 N/A GLN 128.A N MET 124.A O no hydrogen 2.829 N/A ARG 129.A N SER 125.A O no hydrogen 3.130 N/A GLN 130.A N ALA 127.A O no hydrogen 2.995 N/A GLN 130.A NE2 CYS 85.A O no hydrogen 2.976 N/A GLN 130.A NE2 PHE 126.A O no hydrogen 3.184 N/A ASN 131.A ND2 VAL 223.A O no hydrogen 2.815 N/A SER 133.A N ASP 86.A O no hydrogen 3.045 N/A ILE 134.A N ARG 176.A O no hydrogen 2.843 N/A VAL 135.A N LEU 88.A O no hydrogen 2.891 N/A ASN 136.A N ASN 178.A O no hydrogen 2.795 N/A ASN 136.A ND2 THR 163.A OG1 no hydrogen 2.840 N/A LEU 137.A N ASN 90.A O no hydrogen 2.940 N/A CYS 138.A N VAL 180.A O no hydrogen 2.742 N/A CYS 138.A SG.A ASN 136.A O no hydrogen 3.653 N/A CYS 138.A SG.B LYS 156.A O no hydrogen 3.647 N/A ALA 140.A N PRO 182.A O no hydrogen 2.808 N/A MET 141.A N ASP 139.A OD1 no hydrogen 2.798 N/A GLN 144.A N MET 141.A O no hydrogen 2.932 N/A GLN 144.A NE2 SER 242.A O no hydrogen 3.560 N/A PHE 149.A N CYS 146.A O no hydrogen 3.339 N/A SER 150.A OG.A THR 98.A O no hydrogen 3.543 N/A LEU 151.A N THR 98.A OG1 no hydrogen 3.339 N/A TYR 152.A OH ASP 139.A OD2 no hydrogen 2.672 N/A ASN 153.A N PHE 149.A O no hydrogen 2.873 N/A ASN 153.A ND2.A VAL 142.A O no hydrogen 3.392 N/A MET 154.A N SER 150.A O no hydrogen 2.822 N/A GLY 155.A N LEU 151.A O no hydrogen 3.008 N/A LYS 156.A N TYR 152.A O no hydrogen 2.934 N/A LYS 156.A NZ ASN 115.A OD1 no hydrogen 3.042 N/A LYS 156.A NZ LEU 137.A O no hydrogen 2.752 N/A HIS 157.A N ASN 153.A O no hydrogen 2.840 N/A HIS 157.A NE2 VAL 142.A O no hydrogen 3.014 N/A ALA 158.A N MET 154.A O no hydrogen 2.819 N/A LEU 159.A N GLY 155.A O no hydrogen 2.987 N/A VAL 160.A N LYS 156.A O no hydrogen 3.110 N/A GLY 161.A N HIS 157.A O no hydrogen 3.017 N/A LEU 162.A N ALA 158.A O no hydrogen 2.883 N/A THR 163.A N LEU 159.A O no hydrogen 2.927 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.865 N/A GLN 164.A N VAL 160.A O no hydrogen 3.044 N/A SER 165.A N GLY 161.A O no hydrogen 2.781 N/A SER 165.A OG GLY 161.A O no hydrogen 3.297 N/A ALA 166.A N LEU 162.A O no hydrogen 2.672 N/A ALA 167.A N THR 163.A O no hydrogen 2.895 N/A LEU 168.A N GLN 164.A O no hydrogen 3.042 N/A GLU 169.A N SER 165.A O no hydrogen 3.061 N/A LEU 170.A N ALA 166.A O no hydrogen 2.933 N/A ALA 171.A N ALA 167.A O no hydrogen 3.136 N/A TYR 173.A N LEU 170.A O no hydrogen 2.906 N/A GLY 174.A N ALA 171.A O no hydrogen 2.899 N/A ILE 175.A N LEU 170.A O no hydrogen 3.236 N/A ARG 176.A N LEU 132.A O no hydrogen 3.057 N/A ARG 176.A NH1 LEU 222.A O no hydrogen 2.845 N/A ARG 176.A NH1 ILE 230.A O no hydrogen 3.135 N/A ARG 176.A NH2 ASN 131.A OD1 no hydrogen 3.166 N/A ARG 176.A NH2 LEU 222.A O no hydrogen 2.727 N/A VAL 177.A N THR 231.A OG1 no hydrogen 2.911 N/A ASN 178.A N ILE 134.A O no hydrogen 2.945 N/A ASN 178.A ND2 ILE 230.A O no hydrogen 3.020 N/A GLY 179.A N SER 233.A O no hydrogen 2.902 N/A VAL 180.A N ASN 136.A O no hydrogen 2.904 N/A ALA 181.A N ILE 235.A O no hydrogen 2.850 N/A SER 185.A OG ALA 210.A O no hydrogen 2.834 N/A MET 191.A N PRO 188.A O no hydrogen 3.077 N/A GLU 194.A N GLU 194.A OE2 no hydrogen 3.025 N/A LYS 196.A N GLY 192.A O no hydrogen 2.868 N/A LYS 196.A NZ MET 191.A O no hydrogen 2.703 N/A LYS 196.A NZ GLU 193.A OE1 no hydrogen 3.113 N/A ASP 197.A N GLU 193.A O no hydrogen 2.734 N/A LYS 198.A N GLU 194.A O no hydrogen 3.354 N/A LYS 198.A N GLU 195.A O no hydrogen 3.115 N/A TRP 199.A N GLU 195.A O no hydrogen 3.417 N/A ARG 200.A N LYS 196.A O no hydrogen 2.988 N/A ARG 200.A NE GLU 209.A OE1 no hydrogen 3.455 N/A ARG 200.A NE GLU 209.A OE2 no hydrogen 2.824 N/A ARG 200.A NH1 GLU 193.A OE2 no hydrogen 2.852 N/A ARG 200.A NH1 ASP 197.A OD1 no hydrogen 3.184 N/A ARG 200.A NH2 GLU 209.A OE1 no hydrogen 3.125 N/A ARG 201.A N ASP 197.A O no hydrogen 3.006 N/A LYS 202.A N TRP 199.A O no hydrogen 3.019 N/A VAL 203.A N ARG 200.A O no hydrogen 3.196 N/A LEU 205.A N GLY 239.A O no hydrogen 3.045 N/A GLY 206.A N PRO 204.A O no hydrogen 3.148 N/A ARG 207.A N VAL 203.A O no hydrogen 3.180 N/A ARG 207.A NE ARG 201.A O no hydrogen 2.787 N/A ARG 207.A NH2 ARG 201.A O no hydrogen 2.983 N/A GLU 209.A N GLU 209.A OE2 no hydrogen 2.668 N/A ALA 210.A N VAL 184.A O no hydrogen 2.903 N/A SER 211.A N GLN 214.A OE1 no hydrogen 3.018 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.792 N/A GLN 214.A N SER 211.A OG no hydrogen 3.023 N/A ILE 215.A N SER 211.A O no hydrogen 3.377 N/A ALA 216.A N ALA 212.A O no hydrogen 2.845 N/A ASP 217.A N GLU 213.A O no hydrogen 2.850 N/A ALA 218.A N ILE 215.A O no hydrogen 3.153 N/A VAL 219.A N ILE 215.A O no hydrogen 3.330 N/A ILE 220.A N ALA 216.A O no hydrogen 2.917 N/A PHE 221.A N ASP 217.A O no hydrogen 2.960 N/A LEU 222.A N ALA 218.A O no hydrogen 3.094 N/A VAL 223.A N VAL 219.A O no hydrogen 3.028 N/A SER 224.A N PHE 221.A O no hydrogen 3.049 N/A SER 224.A OG PHE 221.A O no hydrogen 2.714 N/A SER 226.A N SER 224.A OG no hydrogen 3.109 N/A ALA 227.A N SER 224.A O no hydrogen 3.110 N/A ILE 230.A N ALA 227.A O no hydrogen 2.931 N/A THR 231.A OG1 VAL 177.A O no hydrogen 3.443 N/A GLY 232.A N VAL 177.A O no hydrogen 2.704 N/A SER 233.A N ASN 178.A OD1 no hydrogen 2.990 N/A ILE 235.A N GLY 179.A O no hydrogen 2.876 N/A LYS 236.A NZ SER 242.A OG no hydrogen 3.276 N/A VAL 237.A N ALA 181.A O no hydrogen 2.921 N/A GLY 240.A N ASP 238.A OD1 no hydrogen 2.972 N/A LEU 241.A N ASP 238.A O no hydrogen 3.009 N/A SER 242.A N ASP 238.A OD2 no hydrogen 2.870 N/A SER 242.A OG ASP 238.A OD2 no hydrogen 2.776 N/A LEU 243.A N GLY 240.A O no hydrogen 2.941 N/A VAL 244.A N LEU 241.A O no hydrogen 3.158 N/A HIS 245.A ND1 ALA 246.A OXT no hydrogen 2.700 N/A