Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8p2i_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N VAL 17.A O no hydrogen 3.141 N/A LEU 7.A N LYS 15.A O no hydrogen 2.816 N/A GLU 8.A N LYS 15.A O no hydrogen 3.152 N/A LYS 10.A N SER 13.A O no hydrogen 3.111 N/A ILE 14.A N VAL 224.A O no hydrogen 2.792 N/A LYS 15.A N GLU 8.A O no hydrogen 3.114 N/A LYS 15.A NZ THR 223.A OG1 no hydrogen 3.197 N/A PHE 16.A N PHE 222.A O no hydrogen 3.346 N/A VAL 17.A N GLN 5.A O no hydrogen 2.759 N/A LEU 18.A N TYR 220.A O no hydrogen 2.933 N/A LYS 19.A N GLU 3.A O no hydrogen 3.363 N/A LYS 19.A NZ THR 219.A OG1 no hydrogen 3.259 N/A GLY 20.A N ASN 218.A O no hydrogen 2.904 N/A VAL 21.A N ASN 218.A O no hydrogen 3.436 N/A HIS 22.A ND1 SER 24.A OG no hydrogen 2.870 N/A SER 24.A N HIS 22.A ND1 no hydrogen 3.188 N/A SER 24.A OG HIS 22.A ND1 no hydrogen 2.870 N/A ALA 26.A N HIS 22.A O no hydrogen 3.292 N/A ASN 27.A N VAL 23.A O no hydrogen 2.926 N/A ALA 28.A N SER 24.A O no hydrogen 2.880 N/A LEU 29.A N PHE 25.A O no hydrogen 2.884 N/A ARG 30.A N ALA 26.A O no hydrogen 2.957 N/A ARG 30.A NE ASN 27.A OD1 no hydrogen 3.278 N/A ARG 30.A NH2 ASN 27.A OD1 no hydrogen 3.320 N/A ARG 31.A N ASN 27.A O no hydrogen 2.903 N/A THR 32.A N ALA 28.A O no hydrogen 2.856 N/A THR 32.A OG1 ALA 28.A O no hydrogen 2.716 N/A ILE 33.A N LEU 29.A O no hydrogen 2.947 N/A LEU 34.A N ARG 30.A O no hydrogen 2.947 N/A GLY 35.A N ARG 31.A O no hydrogen 2.898 N/A GLU 36.A N THR 32.A O no hydrogen 2.775 N/A VAL 37.A N THR 32.A O no hydrogen 3.300 N/A THR 39.A N GLY 138.A O no hydrogen 3.226 N/A THR 39.A OG1 TRP 146.A O no hydrogen 2.828 N/A PHE 40.A N THR 70.A OG1 no hydrogen 3.011 N/A ASP 43.A N TYR 134.A O no hydrogen 2.975 N/A GLU 46.A N ASN 132.A O no hydrogen 2.795 N/A TYR 48.A N VAL 130.A O no hydrogen 2.865 N/A TYR 48.A OH GLU 46.A OE1 no hydrogen 2.729 N/A GLU 49.A N VAL 130.A O no hydrogen 3.241 N/A ASN 50.A ND2 LEU 54.A O no hydrogen 3.443 N/A ASN 50.A ND2 ASP 56.A OD1 no hydrogen 2.389 N/A ASP 51.A N ARG 128.A O no hydrogen 3.170 N/A SER 52.A N ASN 50.A OD1 no hydrogen 3.371 N/A SER 52.A OG ASN 50.A OD1 no hydrogen 3.125 N/A SER 52.A OG LEU 54.A O no hydrogen 3.262 N/A LEU 54.A N SER 52.A OG no hydrogen 3.278 N/A ILE 58.A N PHE 55.A O no hydrogen 3.384 N/A ILE 59.A N PHE 55.A O no hydrogen 3.293 N/A ALA 60.A N ASP 56.A O no hydrogen 2.892 N/A ARG 62.A N ILE 58.A O no hydrogen 2.931 N/A ARG 62.A NE ILE 120.A O no hydrogen 3.125 N/A ARG 62.A NH2 PRO 119.A O no hydrogen 3.110 N/A LEU 63.A N ILE 59.A O no hydrogen 2.877 N/A ALA 64.A N ALA 60.A O no hydrogen 2.905 N/A MET 65.A N HIS 61.A O no hydrogen 2.908 N/A MET 65.A N ARG 62.A O no hydrogen 3.262 N/A ILE 66.A N LEU 63.A O no hydrogen 3.367 N/A THR 69.A N LYS 112.A O no hydrogen 2.993 N/A THR 70.A N GLU 229.A O no hydrogen 3.252 N/A ARG 74.A NH1 ASP 108.A OD1 no hydrogen 2.879 N/A ARG 74.A NH1 ASP 108.A OD2 no hydrogen 2.567 N/A ARG 74.A NH1 ASP 110.A OD2 no hydrogen 2.964 N/A ARG 74.A NH2 ASP 108.A OD2 no hydrogen 2.851 N/A ALA 79.A N GLU 76.A O no hydrogen 3.085 N/A TYR 85.A OH ASP 108.A OD2 no hydrogen 3.089 N/A THR 86.A OG1 ASP 84.A O no hydrogen 3.361 N/A VAL 87.A N ALA 135.A O no hydrogen 3.089 N/A THR 88.A OG1 ASP 107.A OD2 no hydrogen 3.378 N/A LEU 89.A N ALA 133.A O no hydrogen 2.629 N/A SER 90.A N LYS 105.A O no hydrogen 2.956 N/A SER 90.A OG LYS 105.A O no hydrogen 3.533 N/A LEU 91.A N PHE 131.A O no hydrogen 3.339 N/A ALA 93.A N LEU 129.A O no hydrogen 3.198 N/A GLY 95.A N GLN 127.A O no hydrogen 3.265 N/A GLY 97.A N LEU 123.A O no hydrogen 3.228 N/A VAL 99.A N VAL 121.A O no hydrogen 2.999 N/A TYR 100.A N ASP 103.A OD2 no hydrogen 3.188 N/A SER 101.A N ILE 118.A O no hydrogen 2.949 N/A SER 101.A OG ASN 115.A O no hydrogen 2.303 N/A ASP 103.A N TYR 100.A O no hydrogen 3.115 N/A LEU 104.A N SER 101.A O no hydrogen 3.284 N/A LYS 105.A N SER 90.A O no hydrogen 3.024 N/A SER 106.A OG ASP 108.A O no hydrogen 3.139 N/A SER 106.A OG VAL 111.A O no hydrogen 2.704 N/A ASP 107.A N THR 88.A O no hydrogen 3.227 N/A ASP 108.A N SER 106.A OG no hydrogen 3.270 N/A ASP 110.A N ASP 108.A OD1 no hydrogen 2.757 N/A VAL 111.A N ASP 108.A O no hydrogen 3.244 N/A VAL 114.A N PRO 67.A O no hydrogen 3.101 N/A ASN 117.A N ASN 115.A OD1 no hydrogen 3.188 N/A ILE 118.A N SER 101.A OG no hydrogen 3.277 N/A ILE 120.A N VAL 99.A O no hydrogen 2.810 N/A LEU 123.A N GLY 97.A O no hydrogen 3.071 N/A ALA 124.A N GLN 127.A OE1 no hydrogen 2.412 N/A GLN 127.A N ALA 124.A O no hydrogen 3.429 N/A ARG 128.A N ASP 51.A OD2 no hydrogen 3.405 N/A ARG 128.A NE GLU 49.A OE2 no hydrogen 3.118 N/A ARG 128.A NH1 GLU 92.A OE2 no hydrogen 3.326 N/A ARG 128.A NH2 GLU 49.A OE2 no hydrogen 3.019 N/A ARG 128.A NH2 GLU 92.A OE2 no hydrogen 2.724 N/A LEU 129.A N ALA 93.A O no hydrogen 3.194 N/A VAL 130.A N GLU 49.A O no hydrogen 2.946 N/A PHE 131.A N LEU 91.A O no hydrogen 3.315 N/A ASN 132.A N GLU 46.A O no hydrogen 3.056 N/A ALA 133.A N LEU 89.A O no hydrogen 2.642 N/A TYR 134.A N GLU 44.A O no hydrogen 2.899 N/A ALA 135.A N VAL 87.A O no hydrogen 2.821 N/A LYS 136.A N ALA 41.A O no hydrogen 3.192 N/A GLY 138.A N THR 39.A O no hydrogen 3.192 N/A ARG 139.A NH1 GLU 36.A O no hydrogen 2.851 N/A ARG 139.A NH2 ALA 79.A O no hydrogen 2.777 N/A LYS 141.A NZ GLU 36.A OE1 no hydrogen 3.110 N/A LYS 145.A N HIS 143.A ND1 no hydrogen 3.048 N/A LYS 145.A NZ VAL 42.A O no hydrogen 3.108 N/A LYS 145.A NZ ASP 43.A OD1 no hydrogen 2.892 N/A TRP 146.A N HIS 143.A O no hydrogen 3.410 N/A TRP 146.A NE1 LYS 136.A O no hydrogen 3.130 N/A GLN 147.A N ALA 144.A O no hydrogen 3.331 N/A GLN 147.A NE2 LEU 34.A O no hydrogen 3.548 N/A PHE 150.A N GLU 225.A O no hydrogen 3.023 N/A TYR 152.A N THR 223.A O no hydrogen 3.214 N/A LYS 154.A NZ TYR 155.A O no hydrogen 2.884 N/A LYS 154.A NZ THR 193.A O no hydrogen 3.022 N/A TYR 156.A N THR 219.A O no hydrogen 3.137 N/A THR 157.A OG1 THR 193.A OG1 no hydrogen 2.904 N/A THR 157.A OG1 GLU 213.A OE1 no hydrogen 3.179 N/A ILE 158.A N GLU 214.A O no hydrogen 2.863 N/A VAL 159.A N VAL 191.A O no hydrogen 2.829 N/A HIS 160.A N TRP 212.A O no hydrogen 2.923 N/A HIS 160.A ND1 GLU 188.A OE2 no hydrogen 2.259 N/A HIS 160.A NE2 GLU 214.A OE1 no hydrogen 2.910 N/A ILE 161.A N VAL 189.A O no hydrogen 2.843 N/A SER 162.A OG SER 164.A OG no hydrogen 3.201 N/A SER 162.A OG GLU 187.A OE1 no hydrogen 2.507 N/A LYS 163.A N GLU 187.A O no hydrogen 2.506 N/A LYS 163.A NZ GLU 184.A OE2 no hydrogen 3.066 N/A LYS 163.A NZ THR 185.A O no hydrogen 2.934 N/A SER 164.A N SER 162.A OG no hydrogen 3.199 N/A SER 164.A N GLU 187.A OE1 no hydrogen 2.961 N/A SER 164.A OG SER 162.A OG no hydrogen 3.201 N/A SER 164.A OG GLU 187.A OE1 no hydrogen 2.763 N/A SER 164.A OG GLU 187.A OE2 no hydrogen 3.508 N/A ILE 165.A N SER 162.A O no hydrogen 3.460 N/A GLU 170.A N GLU 167.A O no hydrogen 3.288 N/A LYS 172.A N TRP 168.A O no hydrogen 2.931 N/A LYS 172.A NZ GLU 184.A OE1 no hydrogen 2.729 N/A LYS 173.A N LYS 169.A O no hydrogen 2.906 N/A LEU 174.A N GLU 170.A O no hydrogen 2.894 N/A ALA 175.A N LEU 171.A O no hydrogen 2.898 N/A LYS 176.A N LYS 172.A O no hydrogen 2.937 N/A LYS 177.A N LYS 173.A O no hydrogen 2.871 N/A ARG 178.A N LEU 174.A O no hydrogen 2.922 N/A GLY 179.A N LYS 176.A O no hydrogen 3.202 N/A LEU 180.A N ALA 175.A O no hydrogen 3.265 N/A GLU 183.A N LEU 190.A O no hydrogen 2.880 N/A THR 185.A N GLU 188.A O no hydrogen 2.924 N/A THR 185.A OG1 GLU 188.A O no hydrogen 2.292 N/A VAL 189.A N ILE 161.A O no hydrogen 2.649 N/A LEU 190.A N GLU 183.A O no hydrogen 3.255 N/A VAL 191.A N VAL 159.A O no hydrogen 3.020 N/A THR 192.A N PRO 181.A O no hydrogen 3.106 N/A THR 193.A N THR 157.A O no hydrogen 3.009 N/A THR 193.A OG1 THR 157.A O no hydrogen 3.006 N/A THR 193.A OG1 THR 157.A OG1 no hydrogen 2.904 N/A ILE 194.A N THR 192.A O no hydrogen 2.885 N/A LYS 195.A NZ ARG 178.A O no hydrogen 3.448 N/A GLU 204.A N LYS 201.A O no hydrogen 3.137 N/A TYR 206.A N PHE 203.A O no hydrogen 3.051 N/A GLU 207.A N GLU 204.A O no hydrogen 3.313 N/A GLY 208.A N ILE 211.A O no hydrogen 2.771 N/A LYS 209.A N GLU 207.A O no hydrogen 3.119 N/A LYS 209.A NZ GLU 205.A O no hydrogen 2.912 N/A LYS 209.A NZ GLU 210.A OE2 no hydrogen 2.463 N/A GLU 210.A N TYR 206.A O no hydrogen 3.102 N/A ILE 211.A N TYR 206.A O no hydrogen 2.648 N/A GLU 214.A N ILE 158.A O no hydrogen 2.980 N/A VAL 216.A N TYR 156.A O no hydrogen 3.110 N/A THR 219.A OG1 PRO 217.A O no hydrogen 3.038 N/A TYR 220.A N LEU 18.A O no hydrogen 2.961 N/A TYR 220.A OH VAL 21.A O no hydrogen 2.698 N/A ILE 221.A N LYS 154.A O no hydrogen 2.969 N/A PHE 222.A N PHE 16.A O no hydrogen 2.813 N/A THR 223.A N TYR 152.A O no hydrogen 2.952 N/A VAL 224.A N ILE 14.A O no hydrogen 3.027 N/A GLU 225.A N PHE 150.A O no hydrogen 3.161 N/A THR 226.A N ASP 12.A O no hydrogen 3.188 N/A THR 226.A OG1 PRO 148.A O no hydrogen 3.183 N/A THR 226.A OG1 LEU 230.A O no hydrogen 3.362 N/A GLY 228.A N THR 226.A OG1 no hydrogen 2.989 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.584 N/A ILE 235.A N PRO 231.A O no hydrogen 3.052 N/A VAL 236.A N VAL 232.A O no hydrogen 2.956 N/A SER 237.A N GLU 233.A O no hydrogen 2.934 N/A SER 237.A OG GLU 233.A O no hydrogen 3.375 N/A SER 237.A OG GLU 234.A O no hydrogen 2.825 N/A ILE 238.A N GLU 234.A O no hydrogen 2.866 N/A ALA 239.A N ILE 235.A O no hydrogen 2.968 N/A LEU 240.A N VAL 236.A O no hydrogen 2.949 N/A LYS 241.A N SER 237.A O no hydrogen 2.914 N/A LYS 241.A NZ ASP 78.A OD2 no hydrogen 2.822 N/A ILE 242.A N ILE 238.A O no hydrogen 2.912 N/A LEU 243.A N ALA 239.A O no hydrogen 2.978 N/A MET 244.A N LEU 240.A O no hydrogen 3.260 N/A ARG 245.A N LYS 241.A O no hydrogen 2.945 N/A ARG 245.A NH1 ASP 78.A OD1 no hydrogen 2.339 N/A LYS 246.A N ILE 242.A O no hydrogen 2.947 N/A LYS 246.A NZ GLU 36.A OE2 no hydrogen 2.474 N/A ALA 247.A N LEU 243.A O no hydrogen 3.460 N/A ASP 248.A N MET 244.A O no hydrogen 2.950 N/A ARG 249.A N ARG 245.A O no hydrogen 2.940 N/A PHE 250.A N LYS 246.A O no hydrogen 2.919 N/A ILE 251.A N ALA 247.A O no hydrogen 2.902 N/A SER 252.A N ASP 248.A O no hydrogen 2.971 N/A GLU 253.A N ARG 249.A O no hydrogen 2.938 N/A LEU 254.A N PHE 250.A O no hydrogen 2.882 N/A GLN 255.A N ILE 251.A O no hydrogen 2.901 N/A LYS 256.A N SER 252.A O no hydrogen 2.971 N/A LYS 256.A NZ GLU 253.A OE1 no hydrogen 3.366 N/A LEU 257.A N LEU 254.A O no hydrogen 3.089 N/A THR 258.A N GLN 255.A O no hydrogen 3.068 N/A THR 258.A OG1 GLN 255.A O no hydrogen 2.981 N/A