Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 10.A O no hydrogen 2.891 N/A SER 4.A OG THR 9.A OG1 no hydrogen 2.570 N/A LEU 5.A N GLN 8.A O no hydrogen 2.916 N/A ALA 6.A N GLU 102.A OE1 no hydrogen 2.879 N/A GLN 8.A N LEU 5.A O no hydrogen 2.819 N/A GLN 8.A NE2 LEU 29.A O no hydrogen 2.764 N/A THR 9.A OG1 SER 4.A OG no hydrogen 2.570 N/A VAL 10.A N VAL 3.A O no hydrogen 2.802 N/A VAL 12.A N MET 1.A O no hydrogen 3.278 N/A LYS 14.A N ASP 11.A OD1 no hydrogen 3.116 N/A ILE 15.A N ASP 11.A O no hydrogen 3.059 N/A LEU 16.A N VAL 12.A O no hydrogen 2.910 N/A ASN 17.A N LYS 13.A O no hydrogen 3.046 N/A GLU 18.A N ILE 15.A O no hydrogen 2.604 N/A ILE 19.A N ILE 15.A O no hydrogen 3.264 N/A ILE 19.A N LEU 16.A O no hydrogen 3.337 N/A LYS 21.A NZ LEU 16.A O no hydrogen 2.554 N/A LYS 21.A NZ ILE 19.A O no hydrogen 2.880 N/A THR 23.A OG1 VAL 24.A O no hydrogen 3.289 N/A THR 23.A OG1 ALA 40.A O no hydrogen 3.075 N/A THR 25.A OG1 PRO 20.A O no hydrogen 3.067 N/A THR 25.A OG1 THR 23.A O no hydrogen 3.145 N/A ALA 26.A N GLU 38.A O no hydrogen 2.933 N/A ALA 27.A N PHE 61.A O no hydrogen 2.880 N/A LEU 28.A N ALA 36.A O no hydrogen 2.942 N/A LEU 29.A N VAL 59.A O no hydrogen 2.892 N/A GLU 30.A N GLU 33.A O no hydrogen 2.885 N/A GLY 32.A N THR 9.A O no hydrogen 3.433 N/A GLU 33.A N GLU 30.A O no hydrogen 2.736 N/A VAL 35.A N LEU 28.A O no hydrogen 2.898 N/A GLU 38.A N ALA 26.A O no hydrogen 2.955 N/A ALA 40.A N VAL 24.A O no hydrogen 2.889 N/A ASP 41.A N GLU 43.A O no hydrogen 3.093 N/A GLU 43.A N ASP 41.A OD2 no hydrogen 2.938 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.383 N/A LYS 48.A N HIS 44.A O no hydrogen 3.255 N/A LYS 48.A NZ GLU 39.A O no hydrogen 2.802 N/A LYS 48.A NZ ASP 41.A OD1 no hydrogen 3.001 N/A LEU 49.A N ALA 45.A O no hydrogen 3.031 N/A VAL 50.A N GLU 46.A O no hydrogen 3.068 N/A ARG 51.A N ARG 47.A O no hydrogen 2.889 N/A ARG 52.A N LYS 48.A O no hydrogen 2.702 N/A ARG 52.A N LEU 49.A O no hydrogen 3.118 N/A HIS 53.A NE2 GLU 38.A OE2 no hydrogen 2.828 N/A GLU 56.A N ASP 54.A OD1 no hydrogen 3.049 N/A GLY 57.A N GLY 78.A O no hydrogen 2.625 N/A LYS 58.A N VAL 55.A O no hydrogen 2.889 N/A LYS 58.A NZ GLU 30.A OE2 no hydrogen 3.092 N/A LYS 58.A NZ ASP 54.A O no hydrogen 2.886 N/A VAL 60.A N GLY 81.A O no hydrogen 2.846 N/A PHE 61.A N ALA 27.A O no hydrogen 3.021 N/A VAL 62.A N VAL 83.A O no hydrogen 2.768 N/A THR 63.A N THR 25.A O no hydrogen 2.993 N/A ARG 65.A N ARG 87.A O no hydrogen 2.918 N/A ARG 65.A NE GLU 105.A OE1 no hydrogen 3.216 N/A ARG 65.A NH1 GLY 88.A O no hydrogen 2.883 N/A ARG 65.A NH1 GLU 110.A O no hydrogen 2.890 N/A ARG 65.A NH2 GLU 105.A OE1 no hydrogen 3.500 N/A ARG 65.A NH2 GLU 110.A O no hydrogen 2.991 N/A CYS 67.A SG HIS 44.A ND1 no hydrogen 3.593 N/A CYS 70.A SG HIS 44.A ND1 no hydrogen 3.497 N/A ALA 71.A N CYS 67.A O no hydrogen 2.903 N/A ARG 72.A N LEU 68.A O no hydrogen 2.921 N/A GLU 73.A N TYR 69.A O no hydrogen 3.234 N/A LEU 74.A N CYS 70.A O no hydrogen 2.926 N/A ALA 75.A N ALA 71.A O no hydrogen 2.865 N/A GLU 76.A N ARG 72.A O no hydrogen 2.836 N/A ALA 77.A N LEU 74.A O no hydrogen 3.229 N/A GLY 78.A N ALA 75.A O no hydrogen 2.849 N/A VAL 79.A N LEU 74.A O no hydrogen 3.292 N/A ALA 80.A N LYS 58.A O no hydrogen 3.021 N/A VAL 82.A N GLU 102.A O no hydrogen 2.791 N/A VAL 83.A N VAL 60.A O no hydrogen 2.762 N/A TYR 84.A N VAL 104.A O no hydrogen 3.059 N/A LEU 85.A N VAL 62.A O no hydrogen 3.102 N/A GLY 86.A N VAL 106.A O no hydrogen 3.093 N/A GLY 86.A N HIS 107.A O no hydrogen 3.334 N/A ARG 87.A N LEU 85.A O no hydrogen 2.927 N/A ARG 87.A NE ASP 109.A OD1 no hydrogen 3.376 N/A TYR 94.A N LEU 91.A O no hydrogen 2.952 N/A LEU 96.A N GLY 92.A O no hydrogen 2.764 N/A ALA 97.A N PRO 93.A O no hydrogen 2.867 N/A ARG 98.A N TYR 94.A O no hydrogen 3.455 N/A ARG 98.A NE ASP 136.A OD1 no hydrogen 2.680 N/A ARG 98.A NH2 ASP 136.A OD1 no hydrogen 3.241 N/A ARG 98.A NH2 ASP 136.A OD2 no hydrogen 2.839 N/A SER 99.A N LEU 96.A O no hydrogen 2.704 N/A SER 99.A OG TYR 95.A O no hydrogen 3.058 N/A VAL 101.A N LEU 96.A O no hydrogen 3.341 N/A GLU 102.A N ALA 80.A O no hydrogen 3.214 N/A VAL 104.A N VAL 82.A O no hydrogen 2.935 N/A VAL 106.A N TYR 84.A O no hydrogen 2.975 N/A ASP 109.A N GLY 86.A O no hydrogen 2.685 N/A GLU 110.A N GLY 86.A O no hydrogen 3.146 N/A TYR 114.A OH ARG 89.A O no hydrogen 2.566 N/A VAL 117.A N GLU 166.A OE1 no hydrogen 2.989 N/A ARG 119.A NH1 ASP 121.A OD1 no hydrogen 3.373 N/A ARG 119.A NH1 ASP 121.A OD2 no hydrogen 2.775 N/A ARG 119.A NH1 VAL 169.A O no hydrogen 3.151 N/A LEU 120.A N SER 196.A OG no hydrogen 2.866 N/A VAL 122.A N ILE 167.A O no hydrogen 3.035 N/A LEU 123.A N ARG 191.A O no hydrogen 2.846 N/A LEU 124.A N VAL 165.A O no hydrogen 3.073 N/A THR 125.A N ARG 189.A O no hydrogen 2.969 N/A PHE 126.A N GLY 163.A O no hydrogen 3.051 N/A ASN 129.A ND2 GLY 127.A O no hydrogen 2.915 N/A TYR 131.A N ASN 129.A OD1 no hydrogen 2.664 N/A LEU 132.A N ASN 129.A OD1 no hydrogen 2.971 N/A THR 133.A OG1 GLU 134.A OE2 no hydrogen 3.489 N/A THR 133.A OG1 GLU 135.A OE2 no hydrogen 2.686 N/A GLU 134.A N GLU 134.A OE2 no hydrogen 2.539 N/A GLU 135.A N GLU 135.A OE2 no hydrogen 2.543 N/A ASP 136.A N THR 133.A O no hydrogen 3.081 N/A VAL 137.A N THR 133.A O no hydrogen 3.225 N/A ALA 138.A N GLU 134.A O no hydrogen 2.893 N/A ALA 139.A N GLU 135.A O no hydrogen 2.933 N/A ARG 140.A N ASP 136.A O no hydrogen 2.998 N/A VAL 141.A N VAL 137.A O no hydrogen 2.781 N/A TYR 142.A N ALA 138.A O no hydrogen 2.833 N/A CYS 143.A N ALA 139.A O no hydrogen 3.065 N/A CYS 143.A N ARG 140.A O no hydrogen 3.089 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.859 N/A LEU 144.A N ARG 140.A O no hydrogen 2.945 N/A LEU 145.A N VAL 141.A O no hydrogen 2.961 N/A THR 146.A N TYR 142.A O no hydrogen 3.028 N/A THR 146.A OG1 TYR 142.A O no hydrogen 2.694 N/A THR 146.A OG1 CYS 143.A O no hydrogen 3.537 N/A GLY 147.A N CYS 143.A O no hydrogen 2.801 N/A ARG 148.A N LEU 144.A O no hydrogen 3.297 N/A ARG 148.A N LEU 145.A O no hydrogen 2.846 N/A GLY 149.A N THR 146.A O no hydrogen 3.100 N/A PHE 150.A N LEU 145.A O no hydrogen 3.109 N/A ASP 151.A N ARG 171.A O no hydrogen 3.103 N/A ASP 153.A N MET 168.A O no hydrogen 2.947 N/A ALA 155.A N GLU 166.A O no hydrogen 2.857 N/A ALA 157.A N ARG 164.A O no hydrogen 2.860 N/A GLU 159.A N TYR 114.A O no hydrogen 2.877 N/A ASN 160.A N ALA 157.A O no hydrogen 2.748 N/A LEU 161.A N PRO 158.A O no hydrogen 2.843 N/A GLY 163.A N GLU 134.A OE1 no hydrogen 2.627 N/A ARG 164.A NE GLU 166.A OE2 no hydrogen 2.917 N/A ARG 164.A NH1 ASP 265.A OD1 no hydrogen 3.194 N/A ARG 164.A NH2 GLU 166.A OE2 no hydrogen 2.587 N/A ARG 164.A NH2 ASP 265.A OD1 no hydrogen 3.533 N/A ARG 164.A NH2 ASP 265.A OD2 no hydrogen 2.878 N/A VAL 165.A N LEU 124.A O no hydrogen 2.883 N/A GLU 166.A N ALA 155.A O no hydrogen 3.060 N/A ILE 167.A N VAL 122.A O no hydrogen 2.966 N/A MET 168.A N ASP 153.A O no hydrogen 2.937 N/A THR 170.A N ASP 151.A O no hydrogen 2.795 N/A ARG 171.A N ASP 151.A O no hydrogen 3.017 N/A ARG 171.A NH1 ASP 151.A OD2 no hydrogen 3.030 N/A ASP 175.A N ASP 173.A OD1 no hydrogen 2.647 N/A ALA 177.A N ASP 173.A O no hydrogen 2.929 N/A VAL 178.A N PRO 174.A O no hydrogen 2.835 N/A GLU 179.A N ASP 175.A O no hydrogen 2.872 N/A LEU 180.A N GLU 176.A O no hydrogen 2.986 N/A LEU 181.A N ALA 177.A O no hydrogen 2.909 N/A LYS 182.A N VAL 178.A O no hydrogen 2.938 N/A GLU 183.A N GLU 179.A O no hydrogen 3.121 N/A GLU 184.A N LEU 180.A O no hydrogen 2.952 N/A LEU 185.A N LEU 181.A O no hydrogen 2.894 N/A PHE 188.A N LEU 185.A O no hydrogen 3.201 N/A ARG 189.A NH1 ILE 190.A O no hydrogen 3.353 N/A ARG 189.A NH1 GLU 276.A OE2 no hydrogen 2.948 N/A ARG 189.A NH2 GLU 276.A OE1 no hydrogen 2.667 N/A ARG 189.A NH2 GLU 276.A OE2 no hydrogen 2.972 N/A ARG 191.A N LEU 123.A O no hydrogen 2.901 N/A ARG 192.A NE ASP 175.A OD2 no hydrogen 2.914 N/A ARG 192.A NH1 PHE 193.A O no hydrogen 3.186 N/A ARG 192.A NH2 ASP 175.A OD1 no hydrogen 2.601 N/A PHE 193.A N ASP 121.A O no hydrogen 2.934 N/A LEU 194.A N VAL 273.A O no hydrogen 2.756 N/A ILE 195.A N VAL 273.A O no hydrogen 3.148 N/A SER 196.A OG SER 272.A OG no hydrogen 2.705 N/A GLY 197.A N VAL 271.A O no hydrogen 3.225 N/A ASP 200.A N GLU 203.A OE1 no hydrogen 3.114 N/A ARG 201.A NH1 ALA 231.A O no hydrogen 3.367 N/A ARG 201.A NH1 GLU 237.A OE2 no hydrogen 3.281 N/A ARG 201.A NH2 GLU 237.A OE2 no hydrogen 3.415 N/A GLU 203.A N ASP 200.A OD1 no hydrogen 2.529 N/A LEU 204.A N ASP 200.A O no hydrogen 3.048 N/A ARG 205.A N ARG 201.A O no hydrogen 2.844 N/A ARG 205.A NH1 SER 248.A OG no hydrogen 3.263 N/A GLU 206.A N ASP 202.A O no hydrogen 3.071 N/A ARG 207.A N GLU 203.A O no hydrogen 2.916 N/A ARG 207.A NE ASP 211.A OD2 no hydrogen 3.231 N/A ARG 207.A NH2 ASP 211.A OD2 no hydrogen 3.283 N/A ILE 208.A N LEU 204.A O no hydrogen 2.811 N/A LEU 209.A N ARG 205.A O no hydrogen 2.969 N/A GLU 210.A N GLU 206.A O no hydrogen 3.066 N/A GLU 210.A N ARG 207.A O no hydrogen 3.196 N/A ASP 211.A N ARG 207.A O no hydrogen 3.033 N/A ILE 212.A N ILE 208.A O no hydrogen 2.931 N/A GLU 213.A N ILE 208.A O no hydrogen 2.924 N/A ARG 215.A N ILE 212.A O no hydrogen 3.020 N/A ILE 216.A N GLU 213.A O no hydrogen 3.116 N/A LEU 217.A N THR 260.A OG1 no hydrogen 3.080 N/A PHE 220.A N GLU 252.A O no hydrogen 3.048 N/A ALA 221.A N THR 260.A O no hydrogen 3.082 N/A ARG 223.A N VAL 262.A O no hydrogen 2.968 N/A ALA 224.A N GLU 239.A OE2 no hydrogen 3.099 N/A ARG 225.A N VAL 264.A O no hydrogen 2.847 N/A ALA 227.A N VAL 266.A O no hydrogen 2.872 N/A ARG 228.A N VAL 266.A O no hydrogen 3.446 N/A ARG 228.A NE GLU 159.A OE1 no hydrogen 2.753 N/A ARG 228.A NE GLU 159.A OE2 no hydrogen 3.332 N/A ARG 228.A NH2 GLU 159.A OE2 no hydrogen 2.812 N/A GLY 230.A N PHE 232.A O no hydrogen 3.176 N/A ALA 231.A N GLY 268.A O no hydrogen 2.681 N/A SER 233.A N GLU 237.A OE1 no hydrogen 2.952 N/A SER 235.A OG ALA 224.A O no hydrogen 2.760 N/A GLU 237.A N SER 234.A OG no hydrogen 2.830 N/A ALA 238.A N SER 234.A O no hydrogen 3.173 N/A GLU 239.A N SER 235.A O no hydrogen 2.925 N/A VAL 240.A N ARG 236.A O no hydrogen 2.839 N/A PHE 241.A N GLU 237.A O no hydrogen 3.178 N/A ILE 242.A N ALA 238.A O no hydrogen 3.101 N/A GLY 243.A N GLU 239.A O no hydrogen 2.716 N/A ASP 244.A N VAL 240.A O no hydrogen 3.109 N/A VAL 245.A N PHE 241.A O no hydrogen 3.167 N/A LEU 246.A N ILE 242.A O no hydrogen 3.181 N/A THR 247.A N GLY 243.A O no hydrogen 2.836 N/A THR 247.A OG1 GLY 243.A O no hydrogen 3.529 N/A THR 247.A OG1 ASP 244.A O no hydrogen 3.199 N/A SER 248.A N ASP 244.A O no hydrogen 2.714 N/A SER 248.A OG VAL 245.A O no hydrogen 2.889 N/A VAL 249.A N LEU 246.A O no hydrogen 3.327 N/A GLY 250.A N THR 247.A O no hydrogen 2.601 N/A ARG 251.A N LEU 246.A O no hydrogen 3.044 N/A ARG 251.A NE GLU 213.A OE1 no hydrogen 2.874 N/A ARG 251.A NH2 GLU 213.A O no hydrogen 3.021 N/A ARG 251.A NH2 ILE 216.A O no hydrogen 2.880 N/A ASN 254.A N PHE 220.A O no hydrogen 3.042 N/A ARG 259.A N PRO 219.A O no hydrogen 2.736 N/A THR 260.A N PRO 219.A O no hydrogen 3.300 N/A THR 260.A OG1 LEU 217.A O no hydrogen 2.983 N/A VAL 261.A N GLU 276.A O no hydrogen 2.569 N/A VAL 262.A N ALA 221.A O no hydrogen 2.775 N/A THR 263.A N GLY 274.A O no hydrogen 2.896 N/A VAL 264.A N ARG 223.A O no hydrogen 2.995 N/A ASP 265.A N SER 272.A O no hydrogen 2.959 N/A VAL 266.A N ARG 225.A O no hydrogen 3.048 N/A LEU 267.A N ARG 270.A O no hydrogen 2.956 N/A GLY 268.A N ARG 228.A O no hydrogen 2.883 N/A ARG 270.A N LEU 267.A O no hydrogen 3.186 N/A ARG 270.A NE VAL 117.A O no hydrogen 3.397 N/A ARG 270.A NH1 GLU 166.A OE2 no hydrogen 3.220 N/A ARG 270.A NH2 VAL 117.A O no hydrogen 2.893 N/A ARG 270.A NH2 GLU 166.A OE1 no hydrogen 2.506 N/A VAL 271.A N GLY 197.A O no hydrogen 3.033 N/A SER 272.A N ASP 265.A O no hydrogen 2.829 N/A SER 272.A OG SER 196.A OG no hydrogen 2.705 N/A VAL 273.A N ILE 195.A O no hydrogen 2.731 N/A GLY 274.A N THR 263.A O no hydrogen 3.002 N/A GLU 276.A N VAL 261.A O no hydrogen 2.663 N/A LYS 277.A NZ ARG 215.A O no hydrogen 3.181 N/A ARG 278.A N ARG 259.A O no hydrogen 2.905 N/A