Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3un4_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 GLY 3.A O no hydrogen 2.640 N/A SER 8.A N ARG 12.A O no hydrogen 2.620 N/A SER 8.A OG GLU 10.A OE2 no hydrogen 3.437 N/A SER 8.A OG ARG 12.A O no hydrogen 3.179 N/A GLY 11.A N SER 8.A O no hydrogen 2.781 N/A ARG 12.A N SER 8.A OG no hydrogen 2.973 N/A PHE 14.A N THR 6.A O no hydrogen 3.460 N/A GLU 17.A N LEU 13.A O no hydrogen 3.043 N/A TYR 18.A N PHE 14.A O no hydrogen 2.886 N/A SER 19.A N GLN 15.A O no hydrogen 3.038 N/A SER 19.A OG PHE 130.A O no hydrogen 2.621 N/A LEU 20.A N VAL 16.A O no hydrogen 3.149 N/A GLU 21.A N GLU 17.A O no hydrogen 3.284 N/A ALA 22.A N TYR 18.A O no hydrogen 3.425 N/A ILE 23.A N SER 19.A O no hydrogen 3.321 N/A LYS 24.A N LEU 20.A O no hydrogen 3.171 N/A LEU 25.A N ALA 22.A O no hydrogen 3.200 N/A GLY 26.A N ILE 23.A O no hydrogen 3.099 N/A THR 28.A N GLU 43.A OE2 no hydrogen 3.232 N/A THR 28.A OG1 GLU 43.A OE2 no hydrogen 3.520 N/A ALA 29.A N ILE 164.A O no hydrogen 2.791 N/A ILE 30.A N GLY 41.A O no hydrogen 2.766 N/A GLY 31.A N LYS 162.A O no hydrogen 2.824 N/A ILE 32.A N VAL 39.A O no hydrogen 3.037 N/A ALA 33.A N ASN 160.A O no hydrogen 2.785 N/A THR 34.A N GLY 37.A O no hydrogen 2.881 N/A THR 34.A OG1 GLY 37.A O no hydrogen 2.640 N/A LYS 35.A NZ SER 181.A O no hydrogen 3.538 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.209 N/A GLY 37.A N THR 34.A O no hydrogen 3.215 N/A VAL 38.A N ILE 214.A O no hydrogen 3.204 N/A VAL 39.A N ILE 32.A O no hydrogen 2.836 N/A LEU 40.A N SER 212.A O no hydrogen 2.755 N/A GLY 41.A N ILE 30.A O no hydrogen 2.903 N/A VAL 42.A N GLN 210.A O no hydrogen 3.000 N/A GLU 43.A N THR 28.A O no hydrogen 2.845 N/A LYS 44.A N ASN 208.A O no hydrogen 2.833 N/A LYS 44.A NZ SER 53.A O no hydrogen 2.919 N/A ARG 45.A NE GLU 43.A OE1 no hydrogen 3.229 N/A ARG 45.A NH1 LEU 25.A O no hydrogen 3.276 N/A ARG 45.A NH2 GLY 26.A O no hydrogen 3.364 N/A LEU 51.A N SER 48.A O no hydrogen 3.101 N/A SER 53.A OG ASN 207.A O no hydrogen 3.385 N/A SER 55.A N GLU 52.A O no hydrogen 2.957 N/A SER 55.A OG GLU 52.A O no hydrogen 2.702 N/A ILE 56.A N SER 53.A O no hydrogen 3.201 N/A LYS 58.A NZ SER 27.A OG no hydrogen 2.718 N/A LYS 58.A NZ LYS 44.A O no hydrogen 2.921 N/A VAL 60.A N CYS 68.A O no hydrogen 2.829 N/A ILE 62.A N ILE 66.A O no hydrogen 2.900 N/A ASP 63.A N ILE 66.A O no hydrogen 2.792 N/A ARG 64.A N ASP 63.A OD2 no hydrogen 2.780 N/A ARG 64.A NH1 GLN 217.A O no hydrogen 2.900 N/A HIS 65.A NE2 ILE 99.A O no hydrogen 2.900 N/A ILE 66.A N ASP 63.A O no hydrogen 3.306 N/A GLY 67.A N ALA 137.A O no hydrogen 2.812 N/A CYS 68.A N VAL 60.A O no hydrogen 2.854 N/A ALA 69.A N LEU 135.A O no hydrogen 2.883 N/A MET 70.A N LYS 58.A O no hydrogen 2.941 N/A SER 71.A N ALA 133.A O no hydrogen 3.113 N/A SER 71.A OG SER 27.A O no hydrogen 2.660 N/A LEU 73.A N GLY 131.A O no hydrogen 2.715 N/A ASP 76.A N LEU 73.A O no hydrogen 3.094 N/A ALA 77.A N THR 74.A O no hydrogen 3.196 N/A ARG 78.A N ALA 75.A O no hydrogen 3.446 N/A ARG 78.A NH2 GLU 57.A O no hydrogen 3.329 N/A SER 79.A OG ASP 76.A O no hydrogen 3.463 N/A ILE 81.A N ALA 77.A O no hydrogen 2.864 N/A GLU 82.A N ARG 78.A O no hydrogen 2.947 N/A HIS 83.A N SER 79.A O no hydrogen 3.052 N/A HIS 83.A NE2 SER 107.A O no hydrogen 3.099 N/A HIS 83.A NE2 SER 107.A OG no hydrogen 2.878 N/A ALA 84.A N MET 80.A O no hydrogen 2.928 N/A ARG 85.A N ILE 81.A O no hydrogen 2.802 N/A ARG 85.A NE GLU 61.A O no hydrogen 2.780 N/A ARG 85.A NH2 GLU 61.A O no hydrogen 3.111 N/A THR 86.A N GLU 82.A O no hydrogen 2.958 N/A THR 86.A OG1 GLU 82.A O no hydrogen 2.932 N/A ALA 87.A N HIS 83.A O no hydrogen 2.780 N/A ALA 88.A N ALA 84.A O no hydrogen 2.880 N/A VAL 89.A N ARG 85.A O no hydrogen 3.084 N/A THR 90.A N THR 86.A O no hydrogen 2.776 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.798 N/A HIS 91.A N ALA 87.A O no hydrogen 3.009 N/A HIS 91.A NE2 GLU 97.A OE1 no hydrogen 3.249 N/A ASN 92.A N ALA 88.A O no hydrogen 3.005 N/A ASN 92.A ND2 GLU 97.A O no hydrogen 3.374 N/A LEU 93.A N VAL 89.A O no hydrogen 2.969 N/A TYR 94.A N THR 90.A O no hydrogen 2.984 N/A TYR 95.A N HIS 91.A O no hydrogen 3.014 N/A ASP 96.A N ASN 92.A O no hydrogen 2.827 N/A VAL 101.A N ASP 140.A OD1 no hydrogen 2.984 N/A LEU 104.A N ASN 100.A O no hydrogen 2.940 N/A THR 105.A N VAL 101.A O no hydrogen 3.021 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.920 N/A GLN 106.A N GLU 102.A O no hydrogen 2.764 N/A SER 107.A N SER 103.A O no hydrogen 2.989 N/A SER 107.A OG HIS 83.A NE2 no hydrogen 2.878 N/A VAL 108.A N LEU 104.A O no hydrogen 3.088 N/A CYS 109.A N THR 105.A O no hydrogen 3.064 N/A CYS 109.A SG THR 105.A O no hydrogen 3.353 N/A ASP 110.A N GLN 106.A O no hydrogen 3.075 N/A ASP 110.A N SER 107.A O no hydrogen 3.296 N/A LEU 111.A N VAL 108.A O no hydrogen 3.270 N/A ALA 112.A N CYS 109.A O no hydrogen 3.102 N/A ARG 114.A N LEU 111.A O no hydrogen 2.829 N/A GLY 116.A N MET 126.A O no hydrogen 2.886 N/A ARG 128.A NH1 ASP 76.A OD1 no hydrogen 2.650 N/A ARG 128.A NH1 PRO 129.A O no hydrogen 3.177 N/A ARG 128.A NH2 ASP 76.A OD1 no hydrogen 3.438 N/A ARG 128.A NH2 ASP 76.A OD2 no hydrogen 3.029 N/A GLY 131.A N ASP 76.A OD1 no hydrogen 2.795 N/A ALA 133.A N SER 71.A O no hydrogen 3.018 N/A LEU 134.A N ALA 150.A O no hydrogen 2.924 N/A LEU 135.A N ALA 69.A O no hydrogen 2.713 N/A ILE 136.A N PHE 148.A O no hydrogen 2.812 N/A ALA 137.A N GLY 67.A O no hydrogen 2.758 N/A GLY 138.A N GLN 146.A O no hydrogen 3.010 N/A HIS 139.A N HIS 65.A O no hydrogen 3.010 N/A ASP 140.A N GLY 144.A O no hydrogen 3.345 N/A ASP 142.A N ASP 140.A OD2 no hydrogen 3.121 N/A ASP 143.A N ASP 140.A OD2 no hydrogen 3.004 N/A GLY 144.A N ASP 140.A O no hydrogen 2.931 N/A GLN 146.A N GLY 138.A O no hydrogen 2.792 N/A PHE 148.A N ILE 136.A O no hydrogen 2.700 N/A HIS 149.A N TYR 157.A O no hydrogen 2.871 N/A ALA 150.A N LEU 134.A O no hydrogen 2.780 N/A GLU 151.A N THR 155.A O no hydrogen 3.411 N/A SER 153.A OG THR 155.A OG1 no hydrogen 2.919 N/A GLY 154.A N GLU 151.A O no hydrogen 3.161 N/A THR 155.A OG1 SER 153.A OG no hydrogen 2.919 N/A TYR 157.A N HIS 149.A O no hydrogen 3.216 N/A ARG 158.A NH2 TYR 145.A O no hydrogen 3.285 N/A TYR 159.A N LEU 147.A O no hydrogen 3.010 N/A LYS 162.A N GLY 31.A O no hydrogen 2.828 N/A LYS 162.A NZ TYR 159.A OH no hydrogen 3.470 N/A ALA 163.A N GLN 172.A OE1 no hydrogen 2.866 N/A ILE 164.A N ALA 29.A O no hydrogen 2.895 N/A SER 166.A N GLY 26.A O no hydrogen 2.871 N/A SER 166.A OG GLY 26.A O no hydrogen 3.308 N/A GLY 167.A N THR 28.A OG1 no hydrogen 3.421 N/A SER 168.A N GLY 165.A O no hydrogen 3.333 N/A SER 168.A OG GLY 165.A O no hydrogen 3.100 N/A GLY 170.A N GLU 169.A OE1 no hydrogen 3.298 N/A ALA 171.A N GLY 167.A O no hydrogen 2.932 N/A GLN 172.A N SER 168.A O no hydrogen 2.668 N/A GLN 172.A NE2 ALA 161.A O no hydrogen 3.438 N/A ALA 173.A N GLU 169.A O no hydrogen 3.434 N/A GLU 174.A N GLY 170.A O no hydrogen 3.159 N/A LEU 175.A N ALA 171.A O no hydrogen 2.867 N/A LEU 176.A N GLN 172.A O no hydrogen 2.938 N/A ASN 177.A N GLU 174.A O no hydrogen 3.239 N/A GLU 178.A N GLU 174.A O no hydrogen 3.194 N/A TRP 179.A N LEU 175.A O no hydrogen 3.023 N/A TRP 179.A NE1 ALA 33.A O no hydrogen 3.204 N/A HIS 180.A ND1 SER 182.A OG no hydrogen 3.152 N/A SER 182.A OG HIS 180.A ND1 no hydrogen 3.152 N/A LEU 183.A N HIS 180.A O no hydrogen 3.363 N/A THR 184.A N GLU 187.A OE1 no hydrogen 2.889 N/A LEU 185.A N GLU 36.A OE1 no hydrogen 2.973 N/A GLU 187.A N THR 184.A OG1 no hydrogen 3.235 N/A ALA 188.A N THR 184.A O no hydrogen 3.135 N/A GLU 189.A N LEU 185.A O no hydrogen 3.037 N/A LEU 190.A N LYS 186.A O no hydrogen 3.121 N/A LEU 191.A N GLU 187.A O no hydrogen 2.956 N/A VAL 192.A N ALA 188.A O no hydrogen 2.894 N/A LEU 193.A N GLU 189.A O no hydrogen 3.037 N/A LYS 194.A N LEU 190.A O no hydrogen 2.694 N/A LYS 194.A NZ GLU 178.A OE1 no hydrogen 3.136 N/A ILE 195.A N LEU 191.A O no hydrogen 3.013 N/A LEU 196.A N VAL 192.A O no hydrogen 2.883 N/A LYS 197.A N LEU 193.A O no hydrogen 3.299 N/A GLN 198.A N LYS 194.A O no hydrogen 3.129 N/A GLN 198.A NE2 GLU 174.A OE2 no hydrogen 2.765 N/A VAL 199.A N ILE 195.A O no hydrogen 3.230 N/A MET 200.A N LEU 196.A O no hydrogen 2.905 N/A ASP 205.A N ASN 208.A OD1 no hydrogen 3.131 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.790 N/A ASN 207.A N ASP 205.A OD1 no hydrogen 3.388 N/A ASN 208.A N ASP 205.A OD1 no hydrogen 3.168 N/A ASN 208.A ND2 LYS 203.A O no hydrogen 3.007 N/A GLN 210.A N VAL 42.A O no hydrogen 3.155 N/A SER 212.A OG LEU 40.A O no hydrogen 3.121 N/A CYS 213.A N LYS 221.A O no hydrogen 3.109 N/A CYS 213.A SG TYR 223.A OH no hydrogen 3.229 N/A ILE 214.A N VAL 38.A O no hydrogen 2.966 N/A THR 215.A N GLY 219.A O no hydrogen 3.211 N/A LYS 216.A N TYR 145.A OH no hydrogen 2.740 N/A GLY 219.A N THR 215.A O no hydrogen 2.684 N/A PHE 220.A N ARG 64.A O no hydrogen 2.772 N/A LYS 221.A N CYS 213.A O no hydrogen 2.949 N/A TYR 223.A N LEU 211.A O no hydrogen 3.017 N/A TYR 223.A OH GLU 189.A OE1 no hydrogen 2.827 N/A GLU 226.A N GLU 226.A OE2 no hydrogen 2.760 N/A THR 228.A N ASP 224.A O no hydrogen 3.304 N/A ALA 229.A N ASN 225.A O no hydrogen 2.966 N/A GLU 230.A N GLU 226.A O no hydrogen 3.364 N/A ILE 232.A N THR 228.A O no hydrogen 2.877 N/A LYS 233.A N ALA 229.A O no hydrogen 2.968 N/A LYS 233.A NZ GLU 237.A OE2 no hydrogen 3.197 N/A GLU 234.A N GLU 230.A O no hydrogen 2.834 N/A LEU 235.A N LEU 231.A O no hydrogen 3.000 N/A LYS 236.A N ILE 232.A O no hydrogen 3.062 N/A GLU 237.A N LYS 233.A O no hydrogen 3.238 N/A LYS 238.A N GLU 234.A O no hydrogen 3.240 N/A GLU 239.A N LEU 235.A O no hydrogen 2.936 N/A ALA 240.A N LYS 236.A O no hydrogen 3.009 N/A GLU 242.A N GLU 239.A O no hydrogen 3.400 N/A