Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLY 1.A O no hydrogen 2.935 N/A GLN 4.A NE2 SER 34.A O no hydrogen 2.540 N/A GLN 4.A NE2 GLN 35.A O no hydrogen 3.213 N/A ARG 5.A NH2 GLU 3.A OE1 no hydrogen 3.228 N/A ARG 6.A N GLU 3.A O no hydrogen 3.045 N/A VAL 7.A N GLN 4.A O no hydrogen 2.999 N/A ARG 9.A N ARG 5.A O no hydrogen 3.195 N/A LEU 10.A N VAL 7.A O no hydrogen 3.086 N/A PHE 11.A N ALA 8.A O no hydrogen 3.151 N/A GLY 12.A N ALA 8.A O no hydrogen 3.387 N/A GLU 16.A N TRP 14.A O no hydrogen 2.883 N/A THR 17.A OG1 GLU 182.A OE1 no hydrogen 2.765 N/A ILE 19.A N GLU 16.A O no hydrogen 2.940 N/A TRP 20.A N GLU 16.A O no hydrogen 3.269 N/A THR 21.A N THR 17.A O no hydrogen 2.743 N/A THR 21.A OG1 THR 17.A O no hydrogen 3.178 N/A THR 21.A OG1 SER 176.A O no hydrogen 2.766 N/A CYS 22.A N ILE 18.A O no hydrogen 2.947 N/A CYS 22.A SG ILE 18.A O no hydrogen 3.230 N/A CYS 22.A SG ASP 28.A O no hydrogen 3.967 N/A CYS 22.A SG LEU 43.A O no hydrogen 3.765 N/A LEU 23.A N ILE 19.A O no hydrogen 2.894 N/A GLU 24.A N TRP 20.A O no hydrogen 2.867 N/A GLU 24.A N THR 21.A O no hydrogen 3.242 N/A GLY 25.A N THR 21.A O no hydrogen 3.478 N/A ASP 28.A N LEU 43.A O no hydrogen 2.947 N/A ILE 29.A N ASP 28.A OD1 no hydrogen 2.751 N/A TYR 30.A N LEU 41.A O no hydrogen 2.978 N/A ASP 32.A N SER 39.A O no hydrogen 3.172 N/A SER 36.A N ASP 33.A OD1 no hydrogen 2.653 N/A GLN 38.A N ASP 32.A OD1 no hydrogen 2.859 N/A SER 39.A N ASP 32.A OD1 no hydrogen 3.168 N/A SER 39.A OG GLN 56.A O no hydrogen 2.413 N/A ALA 40.A N ALA 54.A O no hydrogen 2.897 N/A LEU 41.A N TYR 30.A O no hydrogen 2.844 N/A ALA 42.A N PHE 52.A O no hydrogen 2.902 N/A LEU 43.A N ASP 28.A O no hydrogen 2.965 N/A TYR 44.A N PHE 50.A O no hydrogen 2.995 N/A TYR 44.A OH TYR 174.A O no hydrogen 2.604 N/A ARG 46.A N SER 48.A O no hydrogen 3.264 N/A ARG 46.A NE GLY 144.A O no hydrogen 3.197 N/A SER 48.A OG ASP 141.A OD1 no hydrogen 3.217 N/A SER 48.A OG ASP 141.A OD2 no hydrogen 3.320 N/A SER 48.A OG TYR 174.A OH no hydrogen 2.793 N/A PHE 49.A N ASN 69.A O no hydrogen 2.793 N/A PHE 50.A N TYR 44.A O no hydrogen 2.901 N/A GLY 51.A N ILE 71.A O no hydrogen 2.857 N/A PHE 52.A N ALA 42.A O no hydrogen 2.893 N/A LEU 53.A N VAL 73.A O no hydrogen 2.961 N/A ALA 54.A N ALA 40.A O no hydrogen 2.828 N/A GLY 55.A N GLN 75.A OE1 no hydrogen 2.717 N/A GLN 56.A N GLN 38.A O no hydrogen 2.910 N/A ASP 60.A N HIS 58.A ND1 no hydrogen 3.125 N/A LEU 61.A N HIS 58.A O no hydrogen 3.249 N/A LYS 63.A N ARG 59.A O no hydrogen 3.116 N/A ILE 64.A N LEU 61.A O no hydrogen 3.255 N/A CYS 65.A N LEU 62.A O no hydrogen 2.970 N/A CYS 65.A SG LEU 61.A O no hydrogen 3.616 N/A GLU 66.A N LYS 63.A O no hydrogen 3.016 N/A LYS 68.A NZ ILE 64.A O no hydrogen 2.861 N/A ASN 69.A ND2 GLN 47.A O no hydrogen 3.587 N/A ILE 71.A N PHE 49.A O no hydrogen 2.819 N/A LEU 72.A N.A TYR 242.A O no hydrogen 2.743 N/A LEU 72.A N.B TYR 242.A O no hydrogen 2.743 N/A VAL 73.A N GLY 51.A O no hydrogen 2.757 N/A GLN 75.A N LEU 53.A O no hydrogen 2.940 N/A GLN 75.A NE2 LEU 10.A O no hydrogen 3.015 N/A GLN 75.A NE2 PHE 11.A O no hydrogen 3.476 N/A ASN 76.A ND2 GLY 55.A O no hydrogen 3.514 N/A ASN 76.A ND2 GLN 75.A OE1 no hydrogen 3.522 N/A GLN 77.A NE2 ASP 81.A OD1 no hydrogen 2.695 N/A TRP 79.A N ASN 76.A OD1 no hydrogen 3.123 N/A SER 80.A N ASN 76.A O no hydrogen 3.274 N/A SER 80.A OG GLN 240.A OE1 no hydrogen 2.663 N/A ASP 81.A N GLN 77.A O no hydrogen 2.939 N/A LEU 82.A N ALA 78.A O no hydrogen 3.158 N/A ILE 83.A N TRP 79.A O no hydrogen 2.935 N/A GLU 84.A N SER 80.A O no hydrogen 2.968 N/A GLU 85.A N ASP 81.A O no hydrogen 2.987 N/A VAL 86.A N LEU 82.A O no hydrogen 2.866 N/A TYR 87.A N ILE 83.A O no hydrogen 3.057 N/A TYR 87.A OH GLU 66.A OE2 no hydrogen 2.537 N/A GLY 88.A N GLU 84.A O no hydrogen 2.901 N/A GLY 90.A N TYR 87.A O no hydrogen 2.702 N/A ARG 92.A N GLU 243.A O no hydrogen 2.692 N/A ARG 92.A NE GLU 243.A OE1 no hydrogen 3.111 N/A ARG 92.A NH2 GLU 243.A OE1 no hydrogen 3.296 N/A ARG 92.A NH2 GLU 243.A OE2 no hydrogen 3.509 N/A PHE 94.A N ALA 241.A O no hydrogen 2.898 N/A ARG 96.A N TYR 239.A O no hydrogen 2.979 N/A ARG 96.A NE TYR 239.A OH no hydrogen 2.840 N/A ARG 96.A NH1 HIS 220.A ND1 no hydrogen 2.719 N/A ARG 96.A NH2 ASP 218.A OD2 no hydrogen 3.008 N/A TYR 97.A N ALA 219.A O no hydrogen 2.896 N/A ALA 98.A N LYS 237.A O no hydrogen 2.910 N/A THR 99.A OG1 TRP 217.A O no hydrogen 2.653 N/A LYS 100.A N GLU 234.A O.A no hydrogen 2.824 N/A LYS 100.A N GLU 234.A O.B no hydrogen 2.807 N/A LYS 101.A NZ SER 216.A OG no hydrogen 2.732 N/A LYS 101.A NZ TRP 217.A O no hydrogen 3.256 N/A THR 103.A OG1 LYS 100.A O no hydrogen 3.375 N/A THR 103.A OG1 TYR 214.A OH no hydrogen 2.656 N/A HIS 109.A N ASP 106.A OD1 no hydrogen 3.150 N/A HIS 109.A NE2 LYS 230.A O no hydrogen 2.666 N/A LEU 110.A N ASP 106.A O no hydrogen 3.002 N/A GLN 111.A N LEU 107.A O no hydrogen 3.014 N/A GLN 111.A NE2 ASP 115.A OD1 no hydrogen 3.073 N/A LYS 112.A N GLY 108.A O no hydrogen 3.022 N/A LEU 113.A N HIS 109.A O no hydrogen 3.189 N/A VAL 114.A N LEU 110.A O no hydrogen 3.113 N/A ASP 115.A N GLN 111.A O no hydrogen 2.831 N/A ASP 116.A N LYS 112.A O no hydrogen 2.816 N/A LEU 117.A N VAL 114.A O no hydrogen 3.149 N/A SER 120.A OG.A HIS 163.A NE2 no hydrogen 2.792 N/A PHE 121.A N PRO 118.A O no hydrogen 2.955 N/A ASP 122.A N LEU 162.A O no hydrogen 3.107 N/A ILE 125.A N GLY 158.A O no hydrogen 2.782 N/A ARG 127.A NH1 GLU 150.A OE2 no hydrogen 3.033 N/A ARG 127.A NH2 GLU 150.A OE1 no hydrogen 3.340 N/A LEU 129.A N ASP 126.A OD1 no hydrogen 3.000 N/A TYR 130.A N ASP 126.A O no hydrogen 2.886 N/A THR 132.A N ASN 128.A O.A no hydrogen 3.178 N/A THR 132.A N ASN 128.A O.B no hydrogen 3.200 N/A THR 132.A OG1 ASN 128.A O.A no hydrogen 3.141 N/A THR 132.A OG1 ASN 128.A O.B no hydrogen 3.313 N/A CYS 133.A N LEU 129.A O no hydrogen 2.845 N/A CYS 133.A SG LEU 129.A O no hydrogen 3.427 N/A LEU 134.A N TYR 130.A O no hydrogen 3.170 N/A VAL 135.A N THR 132.A O no hydrogen 3.332 N/A SER 139.A N GLU 136.A O no hydrogen 3.264 N/A SER 139.A OG CYS 133.A O no hydrogen 2.718 N/A SER 139.A OG GLU 136.A O no hydrogen 3.421 N/A LEU 142.A N SER 139.A O no hydrogen 2.950 N/A VAL 143.A N ARG 140.A O no hydrogen 3.242 N/A GLY 144.A N ARG 140.A O no hydrogen 2.678 N/A ASN 145.A ND2 TYR 174.A O no hydrogen 3.196 N/A TYR 146.A N VAL 143.A O no hydrogen 3.258 N/A TYR 146.A OH SER 173.A OG no hydrogen 3.318 N/A TYR 146.A OH SER 176.A OG no hydrogen 2.557 N/A ILE 147.A N GLN 151.A OE1 no hydrogen 2.642 N/A GLN 151.A N ASP 148.A OD1 no hydrogen 2.790 N/A PHE 152.A N ASP 148.A O no hydrogen 2.977 N/A LEU 153.A N VAL 149.A O no hydrogen 2.773 N/A ASP 154.A N GLU 150.A O no hydrogen 2.912 N/A LEU 155.A N GLN 151.A O no hydrogen 2.778 N/A GLY 156.A N PHE 152.A O no hydrogen 2.652 N/A LEU 157.A N SER 173.A OG no hydrogen 2.836 N/A CYS 159.A N ALA 171.A O no hydrogen 2.871 N/A CYS 159.A SG CYS 200.A O.A no hydrogen 3.499 N/A CYS 159.A SG CYS 200.A O.B no hydrogen 3.633 N/A VAL 160.A N LYS 123.A O no hydrogen 2.818 N/A ILE 161.A N SER 169.A O no hydrogen 2.777 N/A LEU 162.A N ASP 122.A O no hydrogen 2.706 N/A HIS 163.A N GLN 166.A O no hydrogen 2.768 N/A HIS 163.A ND1 TYR 191.A OH no hydrogen 2.497 N/A GLN 166.A N HIS 163.A O no hydrogen 2.952 N/A VAL 168.A N ILE 161.A O no hydrogen 2.899 N/A SER 169.A OG ASP 186.A O no hydrogen 3.030 N/A SER 169.A OG THR 187.A OG1 no hydrogen 2.844 N/A GLY 170.A N ASP 186.A O no hydrogen 2.876 N/A ALA 171.A N CYS 159.A O no hydrogen 2.839 N/A SER 172.A N GLU 184.A O no hydrogen 2.793 N/A SER 172.A OG LEU 142.A O no hydrogen 2.552 N/A SER 172.A OG LEU 157.A O no hydrogen 3.276 N/A SER 173.A N LEU 157.A O no hydrogen 2.802 N/A SER 173.A OG TYR 146.A OH no hydrogen 3.318 N/A SER 173.A OG LEU 157.A O no hydrogen 3.053 N/A TYR 174.A N GLU 182.A O no hydrogen 2.770 N/A TYR 174.A OH SER 48.A OG no hydrogen 2.793 N/A SER 176.A OG TYR 146.A OH no hydrogen 2.557 N/A SER 176.A OG LEU 155.A O no hydrogen 2.588 N/A TYR 177.A N GLY 180.A O no hydrogen 2.831 N/A SER 178.A N GLU 24.A OE1 no hydrogen 2.790 N/A SER 178.A OG GLU 24.A OE1 no hydrogen 3.392 N/A SER 178.A OG GLU 24.A OE2 no hydrogen 2.603 N/A GLY 180.A N TYR 177.A O no hydrogen 3.194 N/A ILE 181.A N TYR 214.A O no hydrogen 3.008 N/A GLU 182.A N ALA 175.A O no hydrogen 2.825 N/A ILE 183.A N SER 216.A O no hydrogen 2.886 N/A GLU 184.A N SER 172.A O no hydrogen 2.849 N/A ASP 186.A N GLY 170.A O no hydrogen 2.889 N/A THR 187.A OG1 SER 169.A OG no hydrogen 2.844 N/A ARG 188.A N VAL 168.A O no hydrogen 2.821 N/A ARG 188.A NE ASP 190.A OD1 no hydrogen 2.800 N/A ARG 188.A NH1 GLN 166.A OE1 no hydrogen 2.737 N/A ARG 188.A NH2 GLN 166.A OE1 no hydrogen 3.136 N/A ARG 188.A NH2 ASP 190.A OD2 no hydrogen 3.066 N/A TYR 191.A N ARG 188.A O no hydrogen 2.797 N/A TYR 191.A OH HIS 163.A ND1 no hydrogen 2.497 N/A ARG 192.A N GLU 189.A O no hydrogen 3.236 N/A ARG 192.A NE THR 187.A O no hydrogen 2.957 N/A ARG 192.A NH2 THR 187.A O no hydrogen 3.222 N/A ALA 199.A N GLY 195.A O no hydrogen 3.343 N/A CYS 200.A N.A LEU 196.A O no hydrogen 3.046 N/A CYS 200.A N.B LEU 196.A O no hydrogen 3.025 N/A CYS 200.A SG.A SER 169.A OG no hydrogen 3.574 N/A CYS 200.A SG.A LEU 196.A O no hydrogen 3.216 N/A CYS 200.A SG.A ALA 197.A O no hydrogen 3.337 N/A CYS 200.A SG.B LEU 196.A O no hydrogen 3.696 N/A ALA 201.A N ALA 197.A O no hydrogen 2.810 N/A ALA 202.A N LYS 198.A O no hydrogen 2.878 N/A GLN 203.A N ALA 199.A O no hydrogen 3.073 N/A LEU 204.A N CYS 200.A O.A no hydrogen 2.984 N/A LEU 204.A N CYS 200.A O.B no hydrogen 2.835 N/A ILE 205.A N ALA 201.A O no hydrogen 2.943 N/A LEU 206.A N ALA 202.A O no hydrogen 2.992 N/A ALA 207.A N GLN 203.A O no hydrogen 2.844 N/A CYS 208.A N LEU 204.A O no hydrogen 2.807 N/A CYS 208.A SG LEU 204.A O no hydrogen 3.463 N/A LEU 209.A N ILE 205.A O no hydrogen 2.856 N/A ASP 210.A N LEU 206.A O no hydrogen 2.953 N/A ARG 211.A N ALA 207.A O no hydrogen 3.242 N/A ARG 211.A N CYS 208.A O no hydrogen 2.891 N/A ARG 211.A NH1 ALA 207.A O no hydrogen 3.102 N/A GLY 212.A N LEU 209.A O no hydrogen 2.993 N/A LEU 213.A N CYS 208.A O no hydrogen 2.906 N/A TYR 214.A N ALA 179.A O no hydrogen 2.793 N/A TYR 214.A OH THR 103.A OG1 no hydrogen 2.656 N/A SER 216.A N ILE 181.A O no hydrogen 2.853 N/A SER 216.A OG GLU 182.A OE1 no hydrogen 3.473 N/A SER 216.A OG GLU 182.A OE2 no hydrogen 2.621 N/A TRP 217.A NE1 SER 224.A OG no hydrogen 2.957 N/A ALA 219.A N TYR 97.A O no hydrogen 2.840 N/A SER 224.A N THR 221.A OG1 no hydrogen 2.984 N/A LEU 225.A N THR 221.A O no hydrogen 2.930 N/A LYS 226.A N LEU 222.A O no hydrogen 2.839 N/A LEU 227.A N THR 223.A O no hydrogen 3.143 N/A ALA 228.A N SER 224.A O no hydrogen 3.000 N/A GLU 229.A N LEU 225.A O no hydrogen 2.831 N/A LYS 230.A N LYS 226.A O no hydrogen 3.178 N/A LEU 231.A N LEU 227.A O no hydrogen 2.993 N/A GLY 232.A N GLU 229.A O no hydrogen 3.156 N/A TYR 233.A N ALA 228.A O no hydrogen 2.941 N/A TYR 233.A OH PRO 215.A O no hydrogen 2.518 N/A ASP 236.A N ALA 98.A O no hydrogen 2.837 N/A TYR 239.A N ARG 96.A O no hydrogen 2.725 N/A TYR 239.A OH ASP 218.A OD2 no hydrogen 2.467 N/A GLN 240.A NE2 GLN 77.A OE1 no hydrogen 2.978 N/A ALA 241.A N PHE 94.A O no hydrogen 2.898 N/A TYR 242.A N LEU 72.A O.A no hydrogen 2.947 N/A TYR 242.A N LEU 72.A O.B no hydrogen 2.953 N/A TYR 242.A OH GLU 84.A OE2 no hydrogen 2.408 N/A GLU 243.A N ARG 92.A O no hydrogen 3.037 N/A TRP 244.A NE1 CYS 65.A O no hydrogen 3.086 N/A ARG 245.A N GLY 90.A O no hydrogen 2.911 N/A