Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s9s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 GLN 203.A OE1 no hydrogen 2.897 N/A ALA 6.A N ALA 2.A O no hydrogen 3.131 N/A LEU 7.A N ASP 3.A O no hydrogen 2.920 N/A ALA 8.A N LEU 4.A O no hydrogen 3.216 N/A LYS 9.A N ARG 5.A O no hydrogen 3.067 N/A LYS 9.A NZ ASP 13.A OD1 no hydrogen 3.391 N/A HIS 10.A N ALA 6.A O no hydrogen 3.258 N/A LEU 11.A N LEU 7.A O no hydrogen 3.163 N/A TYR 12.A N ALA 8.A O no hydrogen 3.007 N/A ASP 13.A N LYS 9.A O no hydrogen 3.153 N/A SER 14.A N HIS 10.A O no hydrogen 3.067 N/A SER 14.A OG HIS 10.A O no hydrogen 2.993 N/A SER 14.A OG SER 85.A OG no hydrogen 3.261 N/A TYR 15.A N LEU 11.A O no hydrogen 2.809 N/A TYR 15.A OH ASP 164.A OD1 no hydrogen 2.832 N/A ILE 16.A N TYR 12.A O no hydrogen 2.969 N/A LYS 17.A N ASP 13.A O no hydrogen 3.049 N/A SER 18.A N SER 14.A O no hydrogen 2.789 N/A SER 18.A N TYR 15.A O no hydrogen 3.078 N/A SER 18.A OG SER 14.A O no hydrogen 2.833 N/A PHE 19.A N TYR 15.A O no hydrogen 2.838 N/A LYS 23.A N ASP 164.A OD1 no hydrogen 2.888 N/A LYS 23.A NZ LEU 162.A O no hydrogen 2.755 N/A ALA 24.A N ASP 164.A OD2 no hydrogen 2.897 N/A LYS 25.A N THR 22.A OG1 no hydrogen 3.322 N/A ALA 26.A N THR 22.A O no hydrogen 2.923 N/A ARG 27.A N LYS 23.A O no hydrogen 2.823 N/A ARG 27.A NE SER 115.A O no hydrogen 3.324 N/A ARG 27.A NH1 SER 115.A O no hydrogen 2.659 N/A ARG 27.A NH1 MET 117.A O no hydrogen 2.546 N/A ARG 27.A NH2 MET 117.A O no hydrogen 3.533 N/A ALA 28.A N ALA 24.A O no hydrogen 3.160 N/A ILE 29.A N LYS 25.A O no hydrogen 3.073 N/A LEU 30.A N ALA 26.A O no hydrogen 2.889 N/A THR 31.A N ALA 28.A O no hydrogen 3.237 N/A THR 31.A OG1 ARG 27.A O no hydrogen 2.633 N/A GLY 32.A N ILE 29.A O no hydrogen 3.281 N/A PHE 36.A N GLN 128.A O no hydrogen 2.937 N/A ILE 38.A N PHE 130.A O no hydrogen 2.761 N/A TYR 39.A N SER 43.A OG no hydrogen 2.906 N/A ASP 40.A N SER 43.A OG no hydrogen 2.809 N/A SER 43.A N ASP 40.A OD1 no hydrogen 3.020 N/A SER 43.A OG ASP 40.A O no hydrogen 3.169 N/A SER 43.A OG ASP 40.A OD1 no hydrogen 2.617 N/A LEU 44.A N ASP 40.A O no hydrogen 2.932 N/A MET 45.A N MET 41.A O no hydrogen 3.101 N/A MET 46.A N ASN 42.A O no hydrogen 3.046 N/A GLY 47.A N SER 43.A O no hydrogen 3.009 N/A LYS 50.A N GLY 47.A O no hydrogen 2.830 N/A LYS 52.A NZ GLU 74.A OE1 no hydrogen 2.994 N/A LYS 52.A NZ GLU 74.A OE2 no hydrogen 2.801 N/A ILE 56.A N HIS 55.A ND1 no hydrogen 2.951 N/A ARG 63.A N GLU 59.A O no hydrogen 3.110 N/A ILE 64.A N VAL 60.A O no hydrogen 3.234 N/A PHE 65.A N ALA 61.A O no hydrogen 2.918 N/A GLN 66.A N ILE 62.A O no hydrogen 2.713 N/A GLY 67.A N ARG 63.A O no hydrogen 2.825 N/A CYS 68.A N ILE 64.A O no hydrogen 2.885 N/A CYS 68.A SG ILE 64.A O no hydrogen 3.194 N/A GLN 69.A N PHE 65.A O no hydrogen 2.996 N/A GLN 69.A NE2 SER 246.A O no hydrogen 2.933 N/A PHE 70.A N GLN 66.A O no hydrogen 2.711 N/A ARG 71.A N GLY 67.A O no hydrogen 3.026 N/A ARG 71.A NH1 GLU 78.A OE1 no hydrogen 3.429 N/A ARG 71.A NH1 GLU 78.A OE2 no hydrogen 3.172 N/A ARG 71.A NH2 GLU 78.A OE1 no hydrogen 3.238 N/A SER 72.A N CYS 68.A O no hydrogen 2.895 N/A SER 72.A OG CYS 68.A O no hydrogen 2.569 N/A VAL 73.A N GLN 69.A O no hydrogen 3.225 N/A ALA 75.A N ARG 71.A O no hydrogen 3.004 N/A VAL 76.A N SER 72.A O no hydrogen 2.898 N/A GLN 77.A N VAL 73.A O no hydrogen 3.282 N/A GLU 78.A N GLU 74.A O no hydrogen 2.977 N/A ILE 79.A N ALA 75.A O no hydrogen 2.810 N/A THR 80.A N VAL 76.A O no hydrogen 3.003 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.022 N/A GLU 81.A N GLN 77.A O no hydrogen 3.291 N/A TYR 82.A N GLU 78.A O no hydrogen 3.093 N/A TYR 82.A OH LEU 11.A O no hydrogen 3.392 N/A TYR 82.A OH ALA 168.A O no hydrogen 2.564 N/A ALA 83.A N ILE 79.A O no hydrogen 2.810 N/A LYS 84.A N THR 80.A O no hydrogen 3.093 N/A LYS 84.A NZ GLU 81.A OE1 no hydrogen 2.675 N/A LYS 84.A NZ GLU 81.A OE2 no hydrogen 3.488 N/A SER 85.A N TYR 82.A O no hydrogen 2.825 N/A SER 85.A OG TYR 82.A O no hydrogen 2.377 N/A ILE 86.A N ALA 83.A O no hydrogen 2.869 N/A PHE 89.A N ILE 86.A O no hydrogen 2.876 N/A ASN 91.A N GLY 88.A O no hydrogen 3.232 N/A LEU 92.A N PHE 89.A O no hydrogen 3.256 N/A ASN 95.A ND2 ASP 93.A OD1 no hydrogen 3.547 N/A ASP 96.A N ASP 93.A O no hydrogen 3.151 N/A GLN 97.A N ASP 93.A O no hydrogen 3.339 N/A GLN 97.A NE2 VAL 90.A O no hydrogen 3.095 N/A GLN 97.A NE2 LEU 92.A O no hydrogen 2.767 N/A THR 99.A N ASN 95.A O no hydrogen 3.307 N/A THR 99.A OG1 ASN 95.A O no hydrogen 2.907 N/A LEU 100.A N ASP 96.A O no hydrogen 2.798 N/A LEU 101.A N GLN 97.A O no hydrogen 3.128 N/A LYS 102.A N VAL 98.A O no hydrogen 2.795 N/A LYS 102.A NZ LYS 256.A O no hydrogen 2.852 N/A TYR 103.A N THR 99.A O no hydrogen 3.062 N/A GLY 104.A N LEU 100.A O no hydrogen 2.723 N/A VAL 105.A N LEU 101.A O no hydrogen 3.136 N/A HIS 106.A NE2 TYR 255.A OH no hydrogen 2.677 N/A ILE 108.A N GLY 104.A O no hydrogen 3.122 N/A ILE 109.A N VAL 105.A O no hydrogen 2.705 N/A TYR 110.A N HIS 106.A O no hydrogen 3.057 N/A THR 111.A N GLU 107.A O no hydrogen 3.088 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.888 N/A MET 112.A N ILE 108.A O no hydrogen 2.984 N/A LEU 113.A N ILE 109.A O no hydrogen 2.904 N/A SER 115.A N MET 112.A O no hydrogen 2.681 N/A LEU 116.A N LEU 113.A O no hydrogen 2.912 N/A MET 117.A N ALA 114.A O no hydrogen 2.964 N/A ASN 118.A N GLY 121.A O no hydrogen 3.047 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 3.004 N/A GLY 121.A N ASN 118.A O no hydrogen 3.314 N/A GLY 121.A N ASN 118.A OD1 no hydrogen 3.021 N/A VAL 122.A N MET 131.A O no hydrogen 2.843 N/A LEU 123.A N LEU 116.A O no hydrogen 2.869 N/A ILE 124.A N GLY 129.A O no hydrogen 2.792 N/A SER 125.A OG LYS 50.A O no hydrogen 2.875 N/A SER 125.A OG SER 125.A O no hydrogen 2.512 N/A GLN 128.A N SER 125.A O no hydrogen 2.938 N/A GLY 129.A N ILE 124.A O no hydrogen 2.954 N/A PHE 130.A N PHE 36.A O no hydrogen 2.719 N/A MET 131.A N VAL 122.A O no hydrogen 2.977 N/A THR 132.A N ILE 38.A O no hydrogen 3.045 N/A ARG 133.A N ASP 120.A O no hydrogen 2.556 N/A ARG 133.A NE GLU 148.A OE1 no hydrogen 3.007 N/A ARG 133.A NE GLU 148.A OE2 no hydrogen 3.297 N/A ARG 133.A NH1 LYS 119.A O no hydrogen 3.066 N/A ARG 133.A NH2 GLU 148.A OE2 no hydrogen 3.165 N/A PHE 135.A N THR 132.A OG1 no hydrogen 3.087 N/A LEU 136.A N THR 132.A O no hydrogen 3.313 N/A LYS 137.A N ARG 133.A O no hydrogen 3.053 N/A SER 138.A N PHE 135.A O no hydrogen 2.996 N/A SER 138.A OG PHE 135.A O no hydrogen 2.781 N/A LEU 139.A N LEU 136.A O no hydrogen 3.227 N/A ARG 140.A NE GLU 59.A OE2 no hydrogen 2.692 N/A ARG 140.A NH1 LYS 141.A O no hydrogen 2.539 N/A ARG 140.A NH2 GLU 243.A OE1 no hydrogen 2.908 N/A PHE 143.A N ARG 140.A O no hydrogen 2.935 N/A PHE 146.A N PHE 143.A O no hydrogen 3.266 N/A LYS 150.A NZ PHE 146.A O no hydrogen 3.035 N/A LYS 150.A NZ HIS 232.A ND1 no hydrogen 3.016 N/A PHE 151.A N MET 147.A O no hydrogen 3.082 N/A GLU 152.A N GLU 148.A O no hydrogen 2.894 N/A PHE 153.A N PRO 149.A O no hydrogen 2.972 N/A ALA 154.A N LYS 150.A O no hydrogen 2.927 N/A VAL 155.A N PHE 151.A O no hydrogen 3.116 N/A PHE 157.A N PHE 153.A O no hydrogen 2.799 N/A ASN 158.A N ALA 154.A O no hydrogen 2.593 N/A ASN 158.A ND2 ALA 114.A O no hydrogen 2.973 N/A ALA 159.A N VAL 155.A O no hydrogen 3.246 N/A LEU 160.A N PHE 157.A O no hydrogen 3.120 N/A GLU 161.A N ASN 158.A O no hydrogen 2.794 N/A ASP 163.A N ASP 166.A OD2 no hydrogen 3.245 N/A SER 165.A OG ASP 163.A OD1 no hydrogen 2.796 N/A ASP 166.A N ASP 163.A O no hydrogen 2.982 N/A ASP 166.A N ASP 163.A OD1 no hydrogen 3.211 N/A LEU 167.A N ASP 163.A O no hydrogen 2.985 N/A ALA 168.A N ASP 164.A O no hydrogen 3.067 N/A PHE 170.A N ASP 166.A O no hydrogen 3.156 N/A ILE 171.A N LEU 167.A O no hydrogen 2.826 N/A VAL 173.A N ILE 169.A O no hydrogen 2.887 N/A ILE 174.A N PHE 170.A O no hydrogen 3.168 N/A ILE 175.A N ILE 171.A O no hydrogen 3.262 N/A LEU 176.A N ALA 172.A O no hydrogen 3.306 N/A SER 177.A OG ILE 174.A O no hydrogen 2.595 N/A ARG 180.A NH1 GLU 107.A OE1 no hydrogen 3.261 N/A ARG 180.A NH1 GLU 107.A OE2 no hydrogen 2.906 N/A ARG 180.A NH2 GLU 107.A OE1 no hydrogen 2.655 N/A ARG 180.A NH2 ILE 174.A O no hydrogen 3.095 N/A LEU 184.A N ASP 96.A OD1 no hydrogen 2.929 N/A GLU 190.A N VAL 186.A O no hydrogen 3.361 N/A ASP 191.A N LYS 187.A O no hydrogen 3.128 N/A ILE 192.A N PRO 188.A O no hydrogen 3.413 N/A GLN 193.A N ILE 189.A O no hydrogen 2.934 N/A ASP 194.A N GLU 190.A O no hydrogen 2.724 N/A ASN 195.A N ASP 191.A O no hydrogen 3.040 N/A LEU 196.A N ILE 192.A O no hydrogen 2.723 N/A LEU 196.A N GLN 193.A O no hydrogen 3.095 N/A LEU 197.A N GLN 193.A O no hydrogen 2.772 N/A GLN 198.A N ASP 194.A O no hydrogen 3.221 N/A GLN 198.A NE2 GLN 198.A O no hydrogen 2.871 N/A LEU 200.A N LEU 196.A O no hydrogen 2.813 N/A GLU 201.A N LEU 197.A O no hydrogen 3.144 N/A LEU 202.A N GLN 198.A O no hydrogen 3.113 N/A GLN 203.A N ALA 199.A O no hydrogen 2.993 N/A GLN 203.A NE2 ASP 166.A OD1 no hydrogen 2.826 N/A LEU 204.A N LEU 200.A O no hydrogen 2.927 N/A LYS 205.A N GLU 201.A O no hydrogen 3.122 N/A LYS 205.A N LEU 202.A O no hydrogen 2.962 N/A LEU 206.A N LEU 202.A O no hydrogen 3.061 N/A ASN 207.A N GLN 203.A O no hydrogen 3.151 N/A ASN 207.A ND2 ASP 163.A OD2 no hydrogen 2.841 N/A ASN 207.A ND2 ASP 166.A OD1 no hydrogen 3.271 N/A HIS 208.A N LEU 204.A O no hydrogen 3.326 N/A HIS 208.A NE2 ASP 166.A OD2 no hydrogen 2.752 N/A LYS 217.A N GLN 213.A O no hydrogen 2.982 N/A LEU 218.A N LEU 214.A O no hydrogen 2.543 N/A LEU 219.A N PHE 215.A O no hydrogen 2.979 N/A GLN 220.A N ALA 216.A O no hydrogen 3.213 N/A LYS 221.A N LYS 217.A O no hydrogen 3.270 N/A LYS 221.A NZ LYS 217.A O no hydrogen 3.328 N/A THR 223.A N GLN 220.A O no hydrogen 2.954 N/A ASP 224.A N LYS 221.A O no hydrogen 2.763 N/A LEU 225.A N LYS 221.A O no hydrogen 3.052 N/A ARG 226.A NH1 ASP 179.A OD1 no hydrogen 2.636 N/A ARG 226.A NH2 ASP 179.A OD1 no hydrogen 3.067 N/A ARG 226.A NH2 ASP 179.A OD2 no hydrogen 3.074 N/A ILE 228.A N ASP 224.A O no hydrogen 2.833 N/A VAL 229.A N LEU 225.A O no hydrogen 3.007 N/A THR 230.A N ARG 226.A O no hydrogen 2.998 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.836 N/A GLU 231.A N GLN 227.A O no hydrogen 2.994 N/A HIS 232.A N ILE 228.A O no hydrogen 2.985 N/A HIS 232.A NE2 TYR 255.A OH no hydrogen 2.642 N/A VAL 233.A N VAL 229.A O no hydrogen 2.863 N/A GLN 234.A N THR 230.A O no hydrogen 2.962 N/A LEU 235.A N GLU 231.A O no hydrogen 2.802 N/A LEU 236.A N HIS 232.A O no hydrogen 2.801 N/A GLN 237.A N VAL 233.A O no hydrogen 3.166 N/A GLN 237.A NE2 VAL 233.A O no hydrogen 3.232 N/A ILE 239.A N LEU 235.A O no hydrogen 3.187 N/A LYS 240.A N LEU 236.A O no hydrogen 2.890 N/A LYS 241.A N VAL 238.A O no hydrogen 2.915 N/A THR 242.A N ILE 239.A O no hydrogen 3.234 N/A THR 242.A OG1 VAL 238.A O no hydrogen 3.274 N/A GLU 243.A N ILE 239.A O no hydrogen 2.958 N/A HIS 248.A N GLN 69.A OE1 no hydrogen 2.521 N/A LEU 250.A N HIS 248.A ND1 no hydrogen 2.923 N/A GLN 252.A N HIS 248.A O no hydrogen 2.878 N/A GLU 253.A N PRO 249.A O no hydrogen 2.993 N/A ILE 254.A N LEU 251.A O no hydrogen 2.838 N/A TYR 255.A N LEU 251.A O no hydrogen 2.859 N/A TYR 255.A OH HIS 232.A NE2 no hydrogen 2.642 N/A LYS 256.A N GLN 252.A O no hydrogen 3.142 N/A LEU 258.A N TYR 255.A O no hydrogen 3.214 N/A