Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ljb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLU 1.A O no hydrogen 3.266 N/A LYS 6.A N ASP 2.A O no hydrogen 3.274 N/A LYS 6.A NZ SER 213.A OG no hydrogen 2.824 N/A MET 7.A N GLU 3.A O no hydrogen 3.014 N/A PHE 8.A N ASN 4.A O no hydrogen 2.858 N/A PHE 9.A N GLU 5.A O no hydrogen 3.032 N/A LEU 10.A N LYS 6.A O no hydrogen 2.975 N/A ILE 11.A N MET 7.A O no hydrogen 2.865 N/A ASP 12.A N PHE 8.A O no hydrogen 3.008 N/A LYS 13.A N PHE 9.A O no hydrogen 3.072 N/A LYS 13.A NZ ASN 117.A O no hydrogen 3.110 N/A VAL 14.A N LEU 10.A O no hydrogen 2.903 N/A ASN 15.A N ILE 11.A O no hydrogen 2.793 N/A ALA 16.A N ASP 12.A O no hydrogen 3.015 N/A PHE 17.A N LYS 13.A O no hydrogen 3.039 N/A ASN 18.A N VAL 14.A O no hydrogen 2.820 N/A ASN 18.A ND2 GLN 199.A O no hydrogen 3.365 N/A GLN 19.A N ASN 15.A O no hydrogen 2.795 N/A GLN 19.A NE2.A GLN 19.A O no hydrogen 3.075 N/A ASP 20.A N ALA 16.A O no hydrogen 3.147 N/A ILE 21.A N PHE 17.A O no hydrogen 3.101 N/A THR 22.A N ASN 18.A O no hydrogen 3.075 N/A THR 22.A OG1 ASN 18.A O no hydrogen 3.025 N/A ALA 23.A N GLN 19.A O no hydrogen 2.960 N/A LEU 24.A N ASP 20.A O no hydrogen 3.081 N/A MET 25.A N ILE 21.A O no hydrogen 2.903 N/A GLN 26.A N THR 22.A O no hydrogen 2.961 N/A GLY 27.A N LEU 24.A O no hydrogen 3.372 N/A GLU 28.A N ALA 23.A O no hydrogen 2.850 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.901 N/A ASP 35.A N GLY 32.A O no hydrogen 2.927 N/A ARG 37.A NE GLU 29.A O no hydrogen 2.703 N/A ARG 37.A NH2 GLU 29.A O no hydrogen 3.168 N/A LEU 38.A N GLU 29.A OE2 no hydrogen 2.707 N/A ARG 41.A N ARG 37.A O no hydrogen 3.036 N/A LEU 42.A N LEU 38.A O no hydrogen 2.946 N/A ARG 43.A N PHE 39.A O no hydrogen 3.045 N/A HIS 44.A N THR 40.A O no hydrogen 2.866 N/A GLU 45.A N ARG 41.A O no hydrogen 3.195 N/A PHE 46.A N LEU 42.A O no hydrogen 2.926 N/A HIS 47.A N ARG 43.A O no hydrogen 2.907 N/A LYS 48.A N HIS 44.A O no hydrogen 3.001 N/A LYS 48.A NZ GLU 45.A OE2 no hydrogen 2.927 N/A TRP 49.A N GLU 45.A O no hydrogen 2.927 N/A TRP 49.A NE1 ILE 178.A O no hydrogen 3.087 N/A SER 50.A N PHE 46.A O no hydrogen 3.097 N/A SER 50.A OG PHE 46.A O no hydrogen 3.420 N/A SER 50.A OG SER 179.A OG no hydrogen 3.387 N/A THR 51.A N HIS 47.A O no hydrogen 3.222 N/A THR 51.A OG1 HIS 47.A O no hydrogen 3.196 N/A ILE 52.A N LYS 48.A O no hydrogen 2.938 N/A ILE 53.A N TRP 49.A O no hydrogen 3.027 N/A GLU 54.A N SER 50.A O no hydrogen 2.878 N/A ASN 55.A N THR 51.A O no hydrogen 2.802 N/A ASN 56.A N ILE 52.A O no hydrogen 2.848 N/A ASN 56.A ND2 GLN 87.A O no hydrogen 3.017 N/A PHE 57.A N ILE 53.A O no hydrogen 2.902 N/A GLN 58.A N GLU 54.A O no hydrogen 2.961 N/A GLN 58.A NE2 GLU 54.A OE1 no hydrogen 2.800 N/A GLU 59.A N ASN 55.A O no hydrogen 2.819 N/A GLY 60.A N ASN 56.A O no hydrogen 2.835 N/A HIS 61.A N PHE 57.A O no hydrogen 2.854 N/A LYS 62.A N GLN 58.A O no hydrogen 2.969 N/A ILE 63.A N GLU 59.A O no hydrogen 2.907 N/A LEU 64.A N GLY 60.A O no hydrogen 2.957 N/A SER 65.A N HIS 61.A O no hydrogen 2.880 N/A SER 65.A OG HIS 61.A O no hydrogen 2.900 N/A ARG 66.A N LYS 62.A O no hydrogen 3.094 N/A LYS 67.A N ILE 63.A O no hydrogen 3.040 N/A ILE 68.A N LEU 64.A O no hydrogen 3.034 N/A GLN 69.A N SER 65.A O no hydrogen 3.076 N/A LYS 70.A N ARG 66.A O no hydrogen 3.002 N/A PHE 71.A N LYS 67.A O no hydrogen 3.099 N/A GLU 72.A N ILE 68.A O no hydrogen 2.813 N/A TYR 77.A OH HIS 166.A NE2 no hydrogen 3.079 N/A PHE 80.A N ASN 76.A O no hydrogen 2.961 N/A GLU 81.A N TYR 77.A O no hydrogen 2.838 N/A THR 82.A N ARG 78.A O no hydrogen 3.365 N/A THR 82.A OG1 ARG 78.A O no hydrogen 3.007 N/A ILE 83.A N PHE 80.A O no hydrogen 2.884 N/A LYS 85.A N GLU 81.A O no hydrogen 2.926 N/A GLN 86.A N THR 82.A O no hydrogen 2.880 N/A GLN 87.A N ILE 83.A O no hydrogen 3.082 N/A ILE 88.A N VAL 84.A O no hydrogen 3.128 N/A LYS 89.A N LYS 85.A O no hydrogen 3.003 N/A LYS 89.A NZ GLU 92.A OE1 no hydrogen 2.720 N/A ALA 90.A N GLN 86.A O no hydrogen 3.226 N/A LEU 91.A N ILE 88.A O no hydrogen 3.032 N/A GLU 92.A N LYS 89.A O no hydrogen 3.135 N/A ALA 95.A N LEU 91.A O no hydrogen 3.015 N/A VAL 96.A N GLU 92.A O no hydrogen 3.002 N/A ASP 97.A N GLU 93.A O no hydrogen 2.637 N/A MET 98.A N PRO 94.A O no hydrogen 2.870 N/A LEU 99.A N ALA 95.A O no hydrogen 3.101 N/A HIS 100.A N VAL 96.A O no hydrogen 3.085 N/A HIS 100.A ND1 GLU 140.A OE2 no hydrogen 2.549 N/A THR 101.A N ASP 97.A O no hydrogen 2.868 N/A THR 101.A OG1 ASP 97.A O no hydrogen 3.415 N/A VAL 102.A N MET 98.A O no hydrogen 2.872 N/A THR 103.A N LEU 99.A O no hydrogen 3.013 N/A ASP 104.A N HIS 100.A O no hydrogen 3.137 N/A MET 105.A N THR 101.A O no hydrogen 3.328 N/A VAL 106.A N VAL 102.A O no hydrogen 3.127 N/A ARG 107.A N THR 103.A O no hydrogen 2.819 N/A ARG 107.A NH2 GLU 133.A OE2 no hydrogen 3.196 N/A LEU 108.A N ASP 104.A O no hydrogen 3.103 N/A ALA 109.A N MET 105.A O no hydrogen 2.962 N/A PHE 110.A N VAL 106.A O no hydrogen 2.878 N/A THR 111.A N ARG 107.A O no hydrogen 2.914 N/A THR 111.A OG1 ARG 107.A O no hydrogen 2.739 N/A ASP 112.A N LEU 108.A O no hydrogen 2.894 N/A VAL 113.A N ALA 109.A O no hydrogen 3.015 N/A SER 114.A N PHE 110.A O no hydrogen 3.048 N/A SER 114.A OG HIS 125.A ND1 no hydrogen 2.603 N/A ILE 115.A N THR 111.A O no hydrogen 2.838 N/A LYS 116.A N ASP 112.A O no hydrogen 2.889 N/A LYS 116.A NZ LYS 116.A O no hydrogen 2.494 N/A ASN 117.A N VAL 113.A O no hydrogen 2.912 N/A ASN 117.A ND2 ASP 20.A OD2 no hydrogen 2.960 N/A ASN 117.A ND2 VAL 113.A O no hydrogen 2.910 N/A PHE 118.A N SER 114.A O no hydrogen 2.939 N/A PHE 121.A N PHE 118.A O no hydrogen 3.005 N/A ASN 123.A ND2 TRP 214.A O no hydrogen 2.843 N/A HIS 125.A N PHE 121.A O no hydrogen 2.828 N/A HIS 125.A ND1 SER 114.A OG no hydrogen 2.603 N/A ARG 126.A N PHE 122.A O no hydrogen 2.968 N/A ARG 126.A NH2 ASN 123.A OD1 no hydrogen 2.451 N/A THR 127.A N ASN 123.A O no hydrogen 2.861 N/A THR 127.A OG1 ASN 123.A O no hydrogen 2.643 N/A ALA 128.A N LEU 124.A O no hydrogen 2.869 N/A LYS 129.A N HIS 125.A O no hydrogen 2.960 N/A SER 130.A N ARG 126.A O no hydrogen 2.898 N/A SER 130.A OG ARG 126.A O no hydrogen 3.278 N/A SER 130.A OG THR 127.A O no hydrogen 2.681 N/A LYS 131.A N THR 127.A O no hydrogen 3.154 N/A LYS 131.A NZ ALA 201.A O no hydrogen 2.733 N/A ILE 132.A N ALA 128.A O no hydrogen 2.877 N/A GLU 133.A N LYS 129.A O no hydrogen 2.976 N/A ASP 134.A N SER 130.A O no hydrogen 2.943 N/A ILE 135.A N LYS 131.A O no hydrogen 3.011 N/A ARG 136.A N ILE 132.A O no hydrogen 3.187 N/A ARG 136.A NE GLU 140.A OE1 no hydrogen 2.621 N/A ARG 136.A NH1 ASP 104.A OD1 no hydrogen 2.587 N/A ARG 136.A NH2 ASP 104.A OD1 no hydrogen 2.808 N/A ARG 136.A NH2 GLU 140.A OE1 no hydrogen 3.091 N/A ARG 136.A NH2 GLU 140.A OE2 no hydrogen 3.037 N/A ALA 137.A N GLU 133.A O no hydrogen 3.234 N/A GLU 138.A N ASP 134.A O no hydrogen 3.130 N/A GLN 139.A N ILE 135.A O no hydrogen 2.967 N/A GLU 140.A N ARG 136.A O no hydrogen 2.962 N/A ARG 141.A N ALA 137.A O no hydrogen 3.103 N/A ARG 141.A NH2 GLU 138.A OE1 no hydrogen 3.155 N/A GLU 142.A N GLU 138.A O no hydrogen 3.347 N/A GLY 143.A N GLN 139.A O no hydrogen 2.731 N/A GLU 144.A N GLU 140.A O no hydrogen 2.930 N/A LYS 145.A N ARG 141.A O no hydrogen 3.129 N/A LEU 146.A N GLU 142.A O no hydrogen 3.096 N/A ILE 147.A N GLY 143.A O no hydrogen 2.910 N/A ARG 148.A N GLU 144.A O no hydrogen 2.881 N/A ARG 148.A NE GLU 144.A OE2 no hydrogen 3.064 N/A ARG 148.A NH1 GLU 92.A OE2 no hydrogen 2.776 N/A ARG 148.A NH1 GLU 93.A OE2 no hydrogen 3.044 N/A ARG 148.A NH2 GLU 93.A OE1 no hydrogen 3.141 N/A ARG 148.A NH2 GLU 93.A OE2 no hydrogen 3.252 N/A ARG 148.A NH2 GLU 144.A OE2 no hydrogen 3.376 N/A LEU 149.A N LYS 145.A O no hydrogen 2.907 N/A HIS 150.A N LEU 146.A O no hydrogen 2.857 N/A PHE 151.A N ILE 147.A O no hydrogen 3.094 N/A GLN 152.A N ARG 148.A O no hydrogen 3.113 N/A MET 153.A N LEU 149.A O no hydrogen 2.968 N/A GLU 154.A N HIS 150.A O no hydrogen 3.082 N/A GLU 154.A N PHE 151.A O no hydrogen 3.231 N/A GLN 155.A NE2 LYS 85.A O no hydrogen 3.230 N/A GLU 162.A N SER 159.A O no hydrogen 3.422 N/A PHE 164.A N MET 160.A O no hydrogen 3.353 N/A GLN 165.A N GLU 161.A O no hydrogen 3.170 N/A HIS 166.A N GLU 162.A O no hydrogen 3.023 N/A LEU 167.A N ILE 163.A O no hydrogen 2.955 N/A MET 168.A N PHE 164.A O no hydrogen 2.909 N/A ALA 169.A N GLN 165.A O no hydrogen 2.868 N/A TYR 170.A N HIS 166.A O no hydrogen 3.139 N/A TYR 170.A OH GLU 154.A O no hydrogen 2.613 N/A HIS 171.A N LEU 167.A O no hydrogen 3.002 N/A HIS 171.A NE2 ASN 56.A OD1 no hydrogen 3.236 N/A GLN 172.A N MET 168.A O no hydrogen 3.053 N/A GLU 173.A N ALA 169.A O no hydrogen 3.026 N/A ALA 174.A N TYR 170.A O no hydrogen 2.951 N/A SER 175.A N HIS 171.A O no hydrogen 2.829 N/A SER 175.A OG HIS 171.A O no hydrogen 2.829 N/A LYS 176.A N GLN 172.A O no hydrogen 2.963 N/A ARG 177.A N GLU 173.A O no hydrogen 3.163 N/A ARG 177.A NH1 GLU 154.A OE1 no hydrogen 2.602 N/A ARG 177.A NH1 GLU 154.A OE2 no hydrogen 2.567 N/A ILE 178.A N ALA 174.A O no hydrogen 2.952 N/A SER 179.A N SER 175.A O no hydrogen 2.899 N/A SER 180.A N LYS 176.A O no hydrogen 3.137 N/A SER 180.A N ARG 177.A O no hydrogen 3.208 N/A HIS 181.A N ARG 177.A O no hydrogen 2.739 N/A ILE 182.A N ILE 178.A O no hydrogen 3.369 N/A LEU 184.A N SER 180.A O no hydrogen 3.412 N/A ILE 185.A N HIS 181.A O no hydrogen 2.925 N/A ILE 186.A N ILE 182.A O no hydrogen 2.915 N/A GLN 187.A N PRO 183.A O no hydrogen 2.873 N/A PHE 188.A N LEU 184.A O no hydrogen 2.995 N/A PHE 189.A N ILE 185.A O no hydrogen 3.068 N/A MET 190.A N ILE 186.A O no hydrogen 2.762 N/A LEU 191.A N GLN 187.A O no hydrogen 3.018 N/A GLN 192.A N GLN 187.A O no hydrogen 2.944 N/A GLN 192.A NE2 MET 25.A O no hydrogen 3.043 N/A THR 193.A N PHE 188.A O no hydrogen 2.792 N/A THR 193.A OG1 PHE 188.A O no hydrogen 2.672 N/A TYR 194.A N PHE 189.A O no hydrogen 3.065 N/A TYR 194.A OH ILE 132.A O no hydrogen 2.567 N/A GLY 195.A N LEU 191.A O no hydrogen 2.870 N/A GLN 196.A N GLN 192.A O no hydrogen 2.947 N/A GLN 197.A N THR 193.A O no hydrogen 2.759 N/A LEU 198.A N TYR 194.A O no hydrogen 2.953 N/A GLN 199.A N GLY 195.A O no hydrogen 3.021 N/A GLN 199.A NE2 ASN 18.A O no hydrogen 2.726 N/A GLN 199.A NE2 THR 22.A OG1 no hydrogen 2.534 N/A LYS 200.A N GLN 196.A O no hydrogen 3.118 N/A ALA 201.A N GLN 197.A O no hydrogen 2.826 N/A MET 202.A N LEU 198.A O no hydrogen 3.006 N/A LEU 203.A N GLN 199.A O no hydrogen 3.159 N/A GLN 204.A N LYS 200.A O no hydrogen 3.154 N/A LEU 205.A N MET 202.A O no hydrogen 3.038 N/A LEU 206.A N LEU 203.A O no hydrogen 3.025 N/A GLN 207.A N GLN 204.A O no hydrogen 3.009 N/A ASP 210.A N ASP 208.A OD2 no hydrogen 3.005 N/A THR 211.A N ASP 208.A O no hydrogen 3.020 N/A TYR 212.A N LYS 209.A O no hydrogen 3.319 N/A TYR 212.A OH LEU 206.A O no hydrogen 2.477 N/A LEU 215.A N THR 211.A O no hydrogen 2.966 N/A LEU 216.A N TYR 212.A O no hydrogen 2.943 N/A LYS 217.A N TRP 214.A O no hydrogen 3.320 N/A