Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 7.A NZ ASP 5.A OD1 no hydrogen 3.482 N/A TRP 8.A N ASP 5.A O no hydrogen 2.942 N/A GLU 9.A N PRO 6.A O no hydrogen 3.436 N/A PHE 10.A N ALA 87.A O no hydrogen 2.897 N/A ARG 12.A NE GLN 90.A O no hydrogen 2.804 N/A ARG 12.A NH1 PRO 93.A O no hydrogen 2.873 N/A ARG 12.A NH2 GLN 90.A O no hydrogen 2.921 N/A ARG 12.A NH2 PRO 93.A O no hydrogen 2.991 N/A LYS 14.A N PRO 11.A O no hydrogen 3.263 N/A LEU 15.A N ARG 12.A O no hydrogen 3.259 N/A THR 16.A N GLU 33.A O no hydrogen 2.916 N/A GLY 18.A N MET 31.A O no hydrogen 2.752 N/A LEU 21.A N VAL 29.A O no hydrogen 2.960 N/A CYS 25.A SG ARG 150.A O no hydrogen 3.849 N/A VAL 30.A N VAL 50.A O no hydrogen 2.862 N/A MET 31.A N LYS 19.A O no hydrogen 2.706 N/A ALA 32.A N VAL 48.A O no hydrogen 3.000 N/A GLU 33.A N THR 16.A O no hydrogen 2.900 N/A ALA 34.A N VAL 46.A O no hydrogen 2.793 N/A VAL 35.A N LYS 14.A O no hydrogen 2.970 N/A GLY 36.A N GLU 44.A O no hydrogen 3.023 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 3.155 N/A LYS 41.A N ASP 38.A O no hydrogen 2.932 N/A GLU 44.A N LYS 41.A O no hydrogen 2.884 N/A VAL 46.A N ALA 34.A O no hydrogen 2.905 N/A THR 47.A OG1 GLU 33.A OE1 no hydrogen 3.295 N/A VAL 48.A N ALA 32.A O no hydrogen 2.948 N/A ALA 49.A N VAL 98.A O no hydrogen 3.044 N/A VAL 50.A N VAL 30.A O no hydrogen 2.801 N/A LYS 51.A N VAL 96.A O no hydrogen 2.870 N/A LYS 51.A NZ GLU 68.A OE1 no hydrogen 2.964 N/A MET 52.A N GLN 28.A O no hydrogen 3.168 N/A ALA 57.A N LYS 54.A O no hydrogen 3.030 N/A THR 58.A N ASP 61.A OD2 no hydrogen 2.817 N/A ASP 61.A N THR 58.A OG1 no hydrogen 3.120 N/A LEU 62.A N THR 58.A O no hydrogen 3.300 N/A SER 63.A N GLU 59.A O no hydrogen 3.046 N/A ASP 64.A N LYS 60.A O no hydrogen 2.771 N/A LEU 65.A N ASP 61.A O no hydrogen 2.952 N/A VAL 66.A N LEU 62.A O no hydrogen 3.154 N/A SER 67.A N SER 63.A O no hydrogen 3.014 N/A GLU 68.A N ASP 64.A O no hydrogen 2.780 N/A MET 69.A N LEU 65.A O no hydrogen 3.069 N/A GLU 70.A N VAL 66.A O no hydrogen 2.970 N/A MET 71.A N SER 67.A O no hydrogen 2.934 N/A MET 72.A N GLU 68.A O no hydrogen 3.130 N/A LYS 73.A N MET 69.A O no hydrogen 3.226 N/A LYS 73.A N GLU 70.A O no hydrogen 3.122 N/A LYS 73.A NZ ASP 5.A OD2 no hydrogen 2.928 N/A LYS 73.A NZ GLU 70.A OE2 no hydrogen 2.979 N/A MET 74.A N GLU 70.A O no hydrogen 3.191 N/A MET 74.A N MET 71.A O no hydrogen 3.145 N/A ILE 75.A N MET 71.A O no hydrogen 3.099 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 2.977 N/A ASN 80.A ND2 GLN 129.A OE1 no hydrogen 3.443 N/A ASN 80.A ND2 MET 160.A O no hydrogen 2.920 N/A ILE 81.A N HIS 78.A O no hydrogen 3.063 N/A ILE 82.A N ILE 162.A O no hydrogen 3.139 N/A HIS 83.A ND1 ILE 81.A O no hydrogen 2.901 N/A LEU 85.A N ILE 97.A O no hydrogen 2.840 N/A GLY 86.A N ILE 97.A O no hydrogen 3.244 N/A ALA 87.A N TRP 8.A O no hydrogen 3.015 N/A CYS 88.A N TYR 95.A O no hydrogen 2.776 N/A CYS 88.A SG PHE 10.A O no hydrogen 3.287 N/A THR 89.A N GLU 9.A OE2 no hydrogen 2.929 N/A THR 89.A OG1 GLU 9.A OE1 no hydrogen 2.632 N/A THR 89.A OG1 GLU 9.A OE2 no hydrogen 3.537 N/A GLN 90.A NE2 LEU 2.A O no hydrogen 3.148 N/A GLN 90.A NE2 THR 89.A OG1 no hydrogen 3.033 N/A TYR 95.A N CYS 88.A O no hydrogen 3.061 N/A VAL 96.A N LYS 51.A O no hydrogen 2.993 N/A ILE 97.A N GLY 86.A O no hydrogen 2.767 N/A VAL 98.A N ALA 49.A O no hydrogen 2.808 N/A GLU 99.A N HIS 83.A O no hydrogen 2.993 N/A SER 102.A OG GLU 156.A OE1 no hydrogen 3.003 N/A LYS 103.A N VAL 154.A O no hydrogen 3.013 N/A LYS 103.A NZ GLU 116.A OE1 no hydrogen 3.480 N/A LYS 103.A NZ ASN 158.A OD1 no hydrogen 3.049 N/A GLY 104.A N ALA 101.A O no hydrogen 3.388 N/A ASN 105.A ND2 ARG 150.A O no hydrogen 3.225 N/A LEU 106.A N VAL 152.A O no hydrogen 2.766 N/A ARG 107.A N ALA 149.A O no hydrogen 3.206 N/A GLU 108.A N ASN 105.A OD1 no hydrogen 2.950 N/A TYR 109.A N ASN 105.A O no hydrogen 3.007 N/A TYR 109.A OH ASN 158.A OD1 no hydrogen 2.909 N/A LEU 110.A N LEU 106.A O no hydrogen 2.891 N/A ARG 111.A N ARG 107.A O no hydrogen 3.041 N/A ARG 111.A NE GLY 215.A O no hydrogen 2.928 N/A ARG 111.A NH2 GLY 215.A O no hydrogen 3.188 N/A ALA 112.A N GLU 108.A O no hydrogen 2.855 N/A ARG 113.A N LEU 110.A O no hydrogen 3.147 N/A ARG 113.A NH1 TYR 109.A O no hydrogen 2.794 N/A ARG 114.A N ARG 111.A O no hydrogen 3.170 N/A ARG 114.A NE LEU 214.A O no hydrogen 2.975 N/A ARG 114.A NH2 THR 213.A O no hydrogen 3.273 N/A THR 119.A N ASP 122.A OD2 no hydrogen 3.507 N/A ASP 122.A N THR 119.A OG1 no hydrogen 3.289 N/A LEU 123.A N THR 119.A O no hydrogen 3.302 N/A VAL 124.A N PHE 120.A O no hydrogen 3.086 N/A SER 125.A N LYS 121.A O no hydrogen 2.886 N/A CYS 126.A N ASP 122.A O no hydrogen 2.869 N/A THR 127.A N LEU 123.A O no hydrogen 3.046 N/A THR 127.A OG1 LEU 123.A O no hydrogen 2.722 N/A TYR 128.A N VAL 124.A O no hydrogen 2.820 N/A GLN 129.A N SER 125.A O no hydrogen 2.964 N/A GLN 129.A NE2 SER 125.A O no hydrogen 3.647 N/A GLN 129.A NE2 SER 125.A OG no hydrogen 3.224 N/A LEU 130.A N CYS 126.A O no hydrogen 3.248 N/A ALA 131.A N THR 127.A O no hydrogen 3.033 N/A ARG 132.A N TYR 128.A O no hydrogen 2.873 N/A GLY 133.A N GLN 129.A O no hydrogen 2.941 N/A MET 134.A N LEU 130.A O no hydrogen 2.999 N/A GLU 135.A N ALA 131.A O no hydrogen 2.786 N/A TYR 136.A N ARG 132.A O no hydrogen 3.174 N/A TYR 136.A OH ILE 75.A O no hydrogen 2.698 N/A LEU 137.A N GLY 133.A O no hydrogen 3.031 N/A ALA 138.A N MET 134.A O no hydrogen 2.894 N/A SER 139.A N GLU 135.A O no hydrogen 3.102 N/A SER 139.A OG GLU 135.A O no hydrogen 3.446 N/A SER 139.A OG TYR 136.A O no hydrogen 2.546 N/A GLN 140.A N LEU 137.A O no hydrogen 2.979 N/A LYS 141.A N ALA 138.A O no hydrogen 3.084 N/A LYS 141.A NZ ASN 173.A OD1 no hydrogen 3.548 N/A CYS 142.A N LEU 137.A O no hydrogen 3.165 N/A CYS 142.A SG ILE 143.A O no hydrogen 3.657 N/A CYS 142.A SG ARG 169.A O no hydrogen 3.779 N/A ILE 143.A N ARG 169.A O no hydrogen 2.945 N/A HIS 144.A N ASP 200.A OD2 no hydrogen 2.792 N/A HIS 144.A NE2 ALA 163.A O no hydrogen 2.941 N/A ARG 145.A N ASP 200.A OD1 no hydrogen 3.087 N/A ARG 145.A NE LEU 167.A O no hydrogen 2.780 N/A ARG 145.A NH2 LEU 167.A O no hydrogen 2.971 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.133 N/A ALA 149.A N GLU 210.A OE1 no hydrogen 3.140 N/A ARG 150.A NH1 ASP 146.A OD1 no hydrogen 2.962 N/A ASN 151.A N ALA 148.A O no hydrogen 2.940 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.783 N/A LEU 153.A N LYS 161.A O no hydrogen 2.917 N/A VAL 154.A N GLY 104.A O no hydrogen 2.843 N/A THR 155.A N VAL 159.A O no hydrogen 3.169 N/A ASN 157.A N THR 155.A OG1 no hydrogen 3.365 N/A ASN 158.A N THR 155.A O no hydrogen 2.906 N/A VAL 159.A N THR 155.A OG1 no hydrogen 3.059 N/A MET 160.A N GLN 129.A OE1 no hydrogen 2.824 N/A LYS 161.A N LEU 153.A O no hydrogen 2.978 N/A LYS 161.A NZ LYS 79.A O no hydrogen 2.779 N/A LYS 161.A NZ ILE 81.A O no hydrogen 3.519 N/A LYS 161.A NZ GLU 99.A OE1 no hydrogen 3.133 N/A ILE 162.A N ASN 80.A O no hydrogen 2.874 N/A ALA 163.A N ASN 151.A O no hydrogen 3.023 N/A PHE 165.A N GLU 68.A OE2 no hydrogen 2.929 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 3.012 N/A ALA 168.A N PHE 165.A O no hydrogen 3.150 N/A ARG 169.A N ILE 143.A O no hydrogen 3.016 N/A ARG 169.A NH1 ALA 168.A O no hydrogen 2.592 N/A ILE 171.A N LYS 141.A O no hydrogen 2.998 N/A ILE 174.A N ASN 172.A OD1 no hydrogen 3.410 N/A TYR 176.A N TYR 195.A O no hydrogen 2.980 N/A LYS 183.A NZ PRO 218.A O no hydrogen 2.923 N/A LYS 183.A NZ TYR 219.A O no hydrogen 3.068 N/A LYS 183.A NZ ILE 222.A O no hydrogen 2.645 N/A TRP 184.A N PRO 181.A O no hydrogen 3.092 N/A TRP 184.A NE1 GLU 210.A OE1 no hydrogen 2.919 N/A MET 185.A N VAL 182.A O no hydrogen 3.131 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.799 N/A LEU 190.A N ALA 186.A O no hydrogen 2.998 N/A PHE 191.A N PRO 187.A O no hydrogen 2.785 N/A ASP 192.A N GLU 188.A O no hydrogen 2.979 N/A VAL 194.A N GLU 188.A O no hydrogen 3.308 N/A TYR 195.A N TYR 176.A O no hydrogen 2.962 N/A TYR 195.A OH ASP 200.A OD1 no hydrogen 2.546 N/A THR 196.A N SER 199.A OG no hydrogen 3.046 N/A GLN 198.A N THR 196.A OG1 no hydrogen 3.049 N/A GLN 198.A NE2 PRO 259.A O no hydrogen 3.249 N/A GLN 198.A NE2 PRO 263.A O no hydrogen 3.071 N/A SER 199.A N THR 196.A O no hydrogen 2.886 N/A SER 199.A OG GLU 188.A OE2 no hydrogen 2.820 N/A SER 199.A OG THR 196.A O no hydrogen 3.300 N/A VAL 201.A N HIS 197.A O no hydrogen 3.113 N/A TRP 202.A N GLN 198.A O no hydrogen 3.325 N/A SER 203.A N SER 199.A O no hydrogen 3.305 N/A SER 203.A OG TRP 184.A O no hydrogen 2.881 N/A SER 203.A OG SER 199.A O no hydrogen 3.383 N/A PHE 204.A N ASP 200.A O no hydrogen 2.868 N/A GLY 205.A N VAL 201.A O no hydrogen 3.160 N/A GLY 205.A N TRP 202.A O no hydrogen 2.812 N/A VAL 206.A N TRP 202.A O no hydrogen 3.336 N/A LEU 207.A N SER 203.A O no hydrogen 2.893 N/A MET 208.A N PHE 204.A O no hydrogen 2.787 N/A TRP 209.A N GLY 205.A O no hydrogen 3.078 N/A GLU 210.A N VAL 206.A O no hydrogen 3.010 N/A ILE 211.A N LEU 207.A O no hydrogen 2.906 N/A PHE 212.A N MET 208.A O no hydrogen 3.086 N/A THR 213.A N TRP 209.A O no hydrogen 2.955 N/A THR 213.A OG1 TRP 209.A O no hydrogen 2.921 N/A THR 213.A OG1 GLU 210.A O no hydrogen 3.232 N/A LEU 214.A N ILE 211.A O no hydrogen 3.114 N/A GLY 215.A N GLU 210.A O no hydrogen 2.766 N/A GLY 216.A N THR 213.A OG1 no hydrogen 3.015 N/A ILE 222.A N TYR 219.A O no hydrogen 3.042 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.495 N/A GLU 226.A N PRO 223.A O no hydrogen 3.127 N/A LEU 227.A N VAL 224.A O no hydrogen 3.136 N/A LYS 229.A NZ GLU 233.A OE1 no hydrogen 3.153 N/A LEU 231.A N LEU 227.A O no hydrogen 3.167 N/A GLU 233.A N LYS 229.A O no hydrogen 3.195 N/A GLU 233.A N LEU 230.A O no hydrogen 3.126 N/A GLY 234.A N LEU 231.A O no hydrogen 3.152 N/A HIS 235.A N LEU 230.A O no hydrogen 2.863 N/A ARG 236.A NE TRP 255.A O no hydrogen 2.793 N/A ARG 236.A NH1 HIS 235.A O no hydrogen 2.887 N/A ARG 236.A NH2 TRP 255.A O no hydrogen 3.139 N/A LYS 239.A NZ PRO 240.A O no hydrogen 3.169 N/A LYS 239.A NZ CYS 243.A O no hydrogen 2.812 N/A CYS 243.A N PRO 240.A O no hydrogen 3.419 N/A CYS 243.A SG THR 244.A O no hydrogen 3.343 N/A LEU 247.A N THR 244.A OG1 no hydrogen 3.304 N/A TYR 248.A N THR 244.A O no hydrogen 3.078 N/A TYR 248.A OH MET 237.A O no hydrogen 2.732 N/A MET 249.A N ASN 245.A O no hydrogen 2.976 N/A MET 250.A N GLU 246.A O no hydrogen 3.225 N/A MET 251.A N LEU 247.A O no hydrogen 3.054 N/A ARG 252.A N TYR 248.A O no hydrogen 2.917 N/A ARG 252.A NH1 TYR 248.A OH no hydrogen 2.825 N/A ASP 253.A N MET 249.A O no hydrogen 3.038 N/A CYS 254.A N MET 250.A O no hydrogen 3.149 N/A CYS 254.A SG MET 250.A O no hydrogen 3.179 N/A TRP 255.A N ARG 252.A O no hydrogen 2.952 N/A HIS 256.A N ASP 253.A O no hydrogen 3.109 N/A VAL 258.A N HIS 256.A ND1 no hydrogen 3.052 N/A GLN 261.A N VAL 258.A O no hydrogen 2.886 N/A ARG 262.A N PRO 259.A O no hydrogen 3.185 N/A ARG 262.A NE HIS 256.A O no hydrogen 2.692 N/A ARG 262.A NH1 GLU 188.A OE1 no hydrogen 3.375 N/A ARG 262.A NH1 GLU 188.A OE2 no hydrogen 2.730 N/A ARG 262.A NH1 GLN 198.A O no hydrogen 2.713 N/A ARG 262.A NH2 GLU 188.A OE1 no hydrogen 2.706 N/A ARG 262.A NH2 HIS 256.A O no hydrogen 3.077 N/A THR 264.A N GLN 267.A OE1 no hydrogen 3.031 N/A LYS 266.A NZ GLU 270.A OE2 no hydrogen 3.243 N/A GLN 267.A N THR 264.A OG1 no hydrogen 3.172 N/A LEU 268.A N THR 264.A O no hydrogen 3.068 N/A VAL 269.A N PHE 265.A O no hydrogen 2.933 N/A GLU 270.A N LYS 266.A O no hydrogen 3.207 N/A ASP 271.A N GLN 267.A O no hydrogen 2.944 N/A LEU 272.A N LEU 268.A O no hydrogen 2.908 N/A ASP 273.A N VAL 269.A O no hydrogen 2.912 N/A ARG 274.A N GLU 270.A O no hydrogen 3.216 N/A ARG 274.A NH1 ASP 271.A OD1 no hydrogen 3.066 N/A ARG 274.A NH2 GLU 246.A OE1 no hydrogen 2.798 N/A ILE 275.A N ASP 271.A O no hydrogen 3.008 N/A LEU 276.A N LEU 272.A O no hydrogen 2.804 N/A THR 277.A N ASP 273.A O no hydrogen 3.038 N/A THR 277.A OG1 ASP 273.A O no hydrogen 3.059 N/A THR 277.A OG1 ARG 274.A O no hydrogen 3.141 N/A LEU 278.A N ARG 274.A O no hydrogen 3.235 N/A LEU 278.A N ILE 275.A O no hydrogen 3.303 N/A THR 279.A N ILE 275.A O no hydrogen 3.224 N/A THR 279.A OG1 ILE 275.A O no hydrogen 3.320 N/A