Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lkz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ARG 2.A O no hydrogen 2.747 N/A THR 3.A OG1 GLU 6.A OE1 no hydrogen 2.675 N/A GLU 6.A N THR 3.A O no hydrogen 3.120 N/A GLU 6.A N THR 3.A OG1 no hydrogen 3.228 N/A TRP 8.A N LEU 4.A O no hydrogen 3.049 N/A TRP 8.A NE1 TYR 23.A OH no hydrogen 2.975 N/A LYS 9.A N GLY 5.A O no hydrogen 3.031 N/A LYS 9.A NZ SER 147.A O no hydrogen 2.812 N/A LYS 9.A NZ GLU 153.A OE1 no hydrogen 2.862 N/A GLU 10.A N GLU 6.A O no hydrogen 3.101 N/A ARG 11.A N VAL 7.A O no hydrogen 2.915 N/A LEU 12.A N TRP 8.A O no hydrogen 2.945 N/A ASN 13.A N LYS 9.A O no hydrogen 3.138 N/A ASN 13.A ND2 SER 148.A O no hydrogen 3.045 N/A GLN 14.A N ARG 11.A O no hydrogen 3.174 N/A MET 15.A N LEU 12.A O no hydrogen 3.060 N/A THR 16.A N GLU 19.A OE2 no hydrogen 3.012 N/A THR 16.A OG1 GLU 18.A OE2 no hydrogen 3.414 N/A PHE 20.A N THR 16.A O no hydrogen 2.890 N/A THR 21.A N LYS 17.A O no hydrogen 3.097 N/A THR 21.A OG1 GLU 18.A O no hydrogen 3.396 N/A ARG 22.A N GLU 18.A O no hydrogen 3.148 N/A TYR 23.A N GLU 19.A O no hydrogen 2.780 N/A TYR 23.A OH LEU 236.A O no hydrogen 2.676 N/A ARG 24.A N PHE 20.A O no hydrogen 3.090 N/A ARG 24.A NH1 SER 211.A OG no hydrogen 3.286 N/A LYS 25.A NZ GLU 30.A OE1 no hydrogen 2.612 N/A GLU 26.A N TYR 23.A O no hydrogen 3.157 N/A ALA 27.A N GLY 247.A O no hydrogen 2.914 N/A ILE 28.A N LYS 25.A O no hydrogen 3.424 N/A ILE 29.A N PRO 206.A O no hydrogen 3.109 N/A GLU 30.A N GLN 249.A O no hydrogen 2.820 N/A ARG 33.A NH1 PRO 50.A O no hydrogen 2.971 N/A ARG 33.A NH1 ASP 253.A OD2 no hydrogen 3.068 N/A ARG 33.A NH2 PRO 50.A O no hydrogen 3.138 N/A SER 34.A N ASP 32.A OD1 no hydrogen 3.085 N/A SER 34.A OG ASP 32.A OD1 no hydrogen 2.796 N/A SER 34.A OG ASP 32.A OD2 no hydrogen 2.725 N/A LYS 37.A N ARG 33.A O no hydrogen 2.921 N/A HIS 38.A N SER 34.A O no hydrogen 3.086 N/A ALA 39.A N ALA 35.A O no hydrogen 2.991 N/A ARG 40.A N ALA 36.A O no hydrogen 3.122 N/A LYS 41.A N LYS 37.A O no hydrogen 3.310 N/A GLU 42.A N HIS 38.A O no hydrogen 3.038 N/A GLY 43.A N ARG 40.A O no hydrogen 3.182 N/A ASN 44.A N ALA 39.A O no hydrogen 2.662 N/A THR 46.A N ASN 44.A OD1 no hydrogen 3.332 N/A ARG 53.A NH1 VAL 31.A O no hydrogen 3.021 N/A GLY 54.A N SER 52.A OG no hydrogen 2.939 N/A LYS 57.A NZ GLU 214.A OE2 no hydrogen 2.721 N/A LYS 57.A NZ TYR 216.A OH no hydrogen 2.799 N/A LEU 58.A N GLY 54.A O no hydrogen 3.168 N/A ARG 59.A N THR 55.A O no hydrogen 2.822 N/A TRP 60.A N ALA 56.A O no hydrogen 3.144 N/A VAL 62.A N LEU 58.A O no hydrogen 2.952 N/A GLU 63.A N ARG 59.A O no hydrogen 2.854 N/A ARG 64.A N LEU 61.A O no hydrogen 3.289 N/A ARG 64.A NH1 TRP 60.A O no hydrogen 3.035 N/A ARG 65.A N VAL 62.A O no hydrogen 3.038 N/A PHE 66.A N LEU 61.A O no hydrogen 3.132 N/A GLU 68.A N GLU 174.A OE2 no hydrogen 2.797 N/A VAL 70.A N THR 138.A OG1 no hydrogen 3.002 N/A GLY 71.A N ARG 92.A O no hydrogen 2.890 N/A LYS 72.A N ASP 137.A OD1 no hydrogen 2.718 N/A LYS 72.A NZ CYS 135.A O no hydrogen 3.130 N/A VAL 73.A N GLU 95.A O no hydrogen 2.691 N/A ILE 74.A N THR 138.A O no hydrogen 3.114 N/A ASP 75.A N ARG 97.A O no hydrogen 2.649 N/A LEU 76.A N LEU 140.A O no hydrogen 2.778 N/A GLY 77.A N TYR 99.A O no hydrogen 2.583 N/A CYS 78.A N TYR 99.A O no hydrogen 3.050 N/A CYS 78.A SG GLY 79.A O no hydrogen 3.808 N/A GLY 79.A N THR 100.A OG1 no hydrogen 2.954 N/A ARG 80.A NH1 VAL 51.A O no hydrogen 3.304 N/A CYS 84.A SG ASP 75.A OD1 no hydrogen 3.350 N/A TYR 85.A N GLY 81.A O no hydrogen 2.871 N/A TYR 85.A OH GLN 110.A O no hydrogen 2.739 N/A TYR 86.A N GLY 82.A O no hydrogen 3.337 N/A MET 87.A N TRP 83.A O no hydrogen 2.888 N/A ALA 88.A N CYS 84.A O no hydrogen 3.005 N/A THR 89.A N TYR 86.A O no hydrogen 3.008 N/A THR 89.A OG1 TYR 86.A O no hydrogen 2.726 N/A GLN 90.A N MET 87.A O no hydrogen 3.073 N/A GLN 90.A NE2 THR 89.A OG1 no hydrogen 3.392 N/A VAL 93.A N GLN 90.A O no hydrogen 3.057 N/A GLN 94.A N GLY 71.A O no hydrogen 2.900 N/A GLU 95.A N GLY 71.A O no hydrogen 3.389 N/A VAL 96.A N ILE 119.A O no hydrogen 2.988 N/A ARG 97.A N VAL 73.A O no hydrogen 2.664 N/A ARG 97.A NE TYR 99.A OH no hydrogen 3.104 N/A GLY 98.A N THR 121.A O no hydrogen 2.970 N/A TYR 99.A N ASP 75.A O no hydrogen 2.923 N/A TYR 99.A OH GLU 134.A OE2 no hydrogen 2.592 N/A THR 100.A N LYS 123.A O no hydrogen 3.252 N/A LYS 101.A NZ ASP 127.A OD1 no hydrogen 2.736 N/A GLY 103.A N GLU 108.A OE2 no hydrogen 2.509 N/A HIS 106.A N GLY 103.A O no hydrogen 2.973 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 2.918 N/A GLN 110.A N ARG 80.A O no hydrogen 2.927 N/A GLN 110.A NE2 GLU 108.A O no hydrogen 3.506 N/A VAL 112.A N TYR 85.A OH no hydrogen 3.272 N/A GLN 113.A N VAL 45.A O no hydrogen 2.823 N/A TYR 115.A N GLY 257.A O no hydrogen 2.990 N/A GLY 116.A N GLY 259.A O no hydrogen 2.903 N/A TRP 117.A N SER 114.A O no hydrogen 3.038 N/A ASN 118.A ND2 ARG 261.A O no hydrogen 3.040 N/A ILE 119.A N GLY 116.A O no hydrogen 2.991 N/A VAL 120.A N TRP 117.A O no hydrogen 3.078 N/A THR 121.A N VAL 96.A O no hydrogen 2.932 N/A LYS 123.A N GLY 98.A O no hydrogen 2.936 N/A SER 124.A OG GLU 108.A OE1 no hydrogen 2.654 N/A VAL 126.A N THR 100.A O no hydrogen 2.929 N/A PHE 129.A N ASP 127.A OD2 no hydrogen 3.161 N/A TYR 130.A N ASP 127.A O no hydrogen 3.155 N/A ARG 131.A N VAL 128.A O no hydrogen 3.387 N/A ARG 131.A NE GLU 134.A OE1 no hydrogen 3.059 N/A ARG 131.A NH1 TYR 99.A OH no hydrogen 3.193 N/A SER 133.A OG ASP 166.A O no hydrogen 3.170 N/A SER 133.A OG ASP 166.A OD2 no hydrogen 3.538 N/A CYS 136.A SG THR 138.A O no hydrogen 3.449 N/A ASP 137.A N LYS 72.A O no hydrogen 2.893 N/A THR 138.A N LYS 72.A O no hydrogen 3.026 N/A THR 138.A OG1 VAL 70.A O no hydrogen 3.010 N/A LEU 139.A N GLU 174.A O no hydrogen 2.869 N/A LEU 140.A N ILE 74.A O no hydrogen 2.930 N/A CYS 141.A N CYS 176.A O no hydrogen 2.965 N/A ASP 142.A N LEU 76.A O no hydrogen 3.347 N/A SER 147.A N GLU 153.A OE2 no hydrogen 3.253 N/A SER 149.A N SER 147.A OG no hydrogen 3.060 N/A SER 149.A OG GLU 151.A OE1 no hydrogen 3.459 N/A VAL 152.A N SER 149.A OG no hydrogen 3.172 N/A GLU 153.A N SER 149.A O no hydrogen 3.061 N/A GLU 154.A N ALA 150.A O no hydrogen 2.971 N/A HIS 155.A N GLU 151.A O no hydrogen 3.119 N/A ARG 156.A N VAL 152.A O no hydrogen 2.908 N/A ARG 156.A NH1 GLU 145.A O no hydrogen 2.825 N/A THR 157.A N GLU 153.A O no hydrogen 2.787 N/A THR 157.A OG1 GLU 153.A O no hydrogen 2.786 N/A ILE 158.A N GLU 154.A O no hydrogen 2.963 N/A ARG 159.A N HIS 155.A O no hydrogen 3.038 N/A ARG 159.A NH2 TYR 130.A OH no hydrogen 3.351 N/A VAL 160.A N ARG 156.A O no hydrogen 3.091 N/A LEU 161.A N THR 157.A O no hydrogen 2.952 N/A GLU 162.A N ILE 158.A O no hydrogen 2.937 N/A MET 163.A N ARG 159.A O no hydrogen 3.059 N/A VAL 164.A N VAL 160.A O no hydrogen 2.748 N/A GLU 165.A N LEU 161.A O no hydrogen 3.118 N/A ASP 166.A N MET 163.A O no hydrogen 3.115 N/A TRP 167.A N VAL 164.A O no hydrogen 2.969 N/A LEU 168.A N VAL 164.A O no hydrogen 3.075 N/A HIS 169.A N GLU 165.A O no hydrogen 3.170 N/A HIS 169.A ND1 ASP 166.A O no hydrogen 2.725 N/A ARG 170.A N TRP 167.A O no hydrogen 3.311 N/A GLY 171.A N LEU 168.A O no hydrogen 2.852 N/A GLU 174.A N ASP 137.A O no hydrogen 3.337 N/A PHE 175.A N SER 219.A OG no hydrogen 3.102 N/A CYS 176.A N LEU 139.A O no hydrogen 3.032 N/A VAL 177.A N TRP 217.A O no hydrogen 2.916 N/A LYS 178.A N CYS 141.A O no hydrogen 2.804 N/A LYS 178.A NZ ASP 142.A O no hydrogen 2.968 N/A LYS 178.A NZ ASP 142.A OD2 no hydrogen 3.333 N/A VAL 179.A N MET 215.A O no hydrogen 2.771 N/A CYS 181.A N THR 157.A OG1 no hydrogen 3.168 N/A CYS 181.A SG ALA 150.A O no hydrogen 4.045 N/A LYS 186.A N GLU 154.A OE1 no hydrogen 2.928 N/A VAL 187.A N MET 184.A O no hydrogen 2.898 N/A ILE 188.A N MET 184.A O no hydrogen 3.068 N/A GLU 189.A N PRO 185.A O no hydrogen 3.076 N/A LYS 190.A N LYS 186.A O no hydrogen 2.866 N/A MET 191.A N VAL 187.A O no hydrogen 2.674 N/A GLU 192.A N ILE 188.A O no hydrogen 2.972 N/A LEU 193.A N GLU 189.A O no hydrogen 3.108 N/A LEU 194.A N LYS 190.A O no hydrogen 2.859 N/A GLN 195.A N MET 191.A O no hydrogen 2.691 N/A GLN 195.A NE2 GLY 200.A O no hydrogen 2.767 N/A GLN 195.A NE2 GLY 223.A O no hydrogen 3.215 N/A ARG 196.A N GLU 192.A O no hydrogen 3.165 N/A ARG 197.A N LEU 193.A O no hydrogen 3.152 N/A ARG 197.A NH1 GLU 165.A OE1 no hydrogen 2.928 N/A TYR 198.A N LEU 194.A O no hydrogen 2.844 N/A GLY 199.A N GLN 195.A O no hydrogen 2.703 N/A GLY 201.A N VAL 218.A O no hydrogen 2.951 N/A VAL 203.A N TYR 216.A O no hydrogen 2.775 N/A ARG 204.A NH1 THR 212.A O no hydrogen 2.751 N/A ARG 204.A NH1 GLU 214.A O no hydrogen 3.066 N/A ARG 204.A NH2 ARG 209.A O no hydrogen 3.023 N/A ARG 204.A NH2 THR 212.A O no hydrogen 3.224 N/A ASN 205.A ND2 LYS 57.A O no hydrogen 2.858 N/A LEU 207.A N ASN 205.A OD1 no hydrogen 2.922 N/A SER 208.A N ASN 205.A O no hydrogen 2.910 N/A SER 208.A OG ASN 205.A O no hydrogen 3.285 N/A SER 208.A OG GLU 214.A OE2 no hydrogen 2.830 N/A ASN 210.A N ARG 24.A O no hydrogen 2.791 N/A ASN 210.A ND2 TYR 23.A O no hydrogen 2.856 N/A ASN 210.A ND2 GLU 26.A O no hydrogen 2.790 N/A THR 212.A N ARG 209.A O no hydrogen 3.271 N/A THR 212.A OG1 GLU 214.A OE1 no hydrogen 3.353 N/A HIS 213.A ND1 HIS 213.A O no hydrogen 2.612 N/A HIS 213.A NE2 SER 233.A OG no hydrogen 2.626 N/A GLU 214.A N THR 212.A OG1 no hydrogen 3.148 N/A MET 215.A N VAL 179.A O no hydrogen 3.254 N/A TYR 216.A N VAL 203.A O no hydrogen 2.738 N/A TYR 216.A OH ASP 142.A OD2 no hydrogen 2.865 N/A TRP 217.A N VAL 177.A O no hydrogen 2.844 N/A TRP 217.A NE1 GLY 199.A O no hydrogen 3.011 N/A VAL 218.A N GLY 201.A O no hydrogen 2.953 N/A SER 219.A N PHE 175.A O no hydrogen 3.202 N/A SER 219.A OG PHE 175.A O no hydrogen 3.464 N/A ARG 220.A N PHE 66.A O no hydrogen 2.925 N/A HIS 227.A N ASN 224.A OD1 no hydrogen 2.939 N/A SER 228.A N ASN 224.A O no hydrogen 3.107 N/A SER 228.A OG LEU 202.A O no hydrogen 2.881 N/A VAL 229.A N VAL 225.A O no hydrogen 3.025 N/A ASN 230.A N VAL 226.A O no hydrogen 2.912 N/A MET 231.A N HIS 227.A O no hydrogen 2.995 N/A THR 232.A N SER 228.A O no hydrogen 3.254 N/A THR 232.A OG1 SER 228.A O no hydrogen 3.453 N/A SER 233.A N VAL 229.A O no hydrogen 2.941 N/A SER 233.A OG HIS 213.A NE2 no hydrogen 2.626 N/A SER 233.A OG VAL 229.A O no hydrogen 3.181 N/A GLN 234.A N ASN 230.A O no hydrogen 2.999 N/A VAL 235.A N MET 231.A O no hydrogen 3.221 N/A LEU 236.A N THR 232.A O no hydrogen 2.927 N/A LEU 237.A N SER 233.A O no hydrogen 2.823 N/A GLY 238.A N GLN 234.A O no hydrogen 2.854 N/A ARG 239.A N VAL 235.A O no hydrogen 3.138 N/A ARG 239.A NH2 ASN 210.A OD1 no hydrogen 3.187 N/A MET 240.A N LEU 237.A O no hydrogen 3.180 N/A GLU 241.A N GLY 238.A O no hydrogen 3.239 N/A LYS 242.A NZ GLU 26.A OE1 no hydrogen 2.800 N/A LYS 246.A N GLU 26.A OE1 no hydrogen 2.760 N/A GLY 247.A N GLU 26.A OE2 no hydrogen 2.976 N/A GLN 249.A N ILE 28.A O no hydrogen 2.740 N/A GLN 249.A NE2 LYS 246.A O no hydrogen 3.314 N/A GLN 249.A NE2 GLY 247.A O no hydrogen 2.797 N/A ASN 255.A ND2 GLY 47.A O no hydrogen 2.716 N/A LEU 256.A N GLY 48.A O no hydrogen 2.789 N/A GLY 257.A N ASN 255.A OD1 no hydrogen 2.552 N/A ARG 261.A N ASN 118.A OD1 no hydrogen 2.953 N/A ARG 261.A NH1 ALA 88.A O no hydrogen 2.849 N/A ARG 261.A NH1 GLN 90.A O no hydrogen 2.834 N/A ARG 261.A NH2 GLN 90.A O no hydrogen 3.425 N/A