Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nxi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ LYS 32.A O no hydrogen 2.757 N/A LEU 3.A N ASP 210.A O no hydrogen 3.089 N/A VAL 4.A N GLU 35.A O no hydrogen 2.909 N/A ILE 5.A N VAL 212.A O no hydrogen 3.020 N/A ALA 6.A N VAL 37.A O no hydrogen 2.964 N/A ASN 9.A N GLN 230.A OE1 no hydrogen 3.098 N/A ASN 9.A ND2 SER 225.A OG no hydrogen 2.457 N/A ILE 11.A N SER 41.A O no hydrogen 2.792 N/A GLU 12.A N ALA 10.A O no hydrogen 2.833 N/A GLU 14.A N TYR 60.A OH no hydrogen 3.145 N/A LEU 16.A N SER 13.A OG no hydrogen 3.293 N/A LEU 17.A N SER 13.A O no hydrogen 3.101 N/A LEU 18.A N GLU 14.A O no hydrogen 3.089 N/A LYS 19.A N GLU 15.A O no hydrogen 3.053 N/A VAL 20.A N LEU 16.A O no hydrogen 3.288 N/A GLY 21.A N LEU 17.A O no hydrogen 2.875 N/A GLU 22.A N LEU 18.A O no hydrogen 2.826 N/A GLU 23.A N LYS 19.A O no hydrogen 3.435 N/A ILE 24.A N VAL 20.A O no hydrogen 2.898 N/A LYS 25.A N GLY 21.A O no hydrogen 2.823 N/A LYS 25.A NZ PHE 72.A O no hydrogen 2.753 N/A ARG 26.A N GLU 22.A O no hydrogen 3.070 N/A ARG 26.A NE GLU 23.A OE1 no hydrogen 3.003 N/A ARG 26.A NE GLU 23.A OE2 no hydrogen 3.372 N/A ARG 26.A NH2 GLU 23.A OE2 no hydrogen 2.733 N/A ARG 26.A NH2 GLU 237.A OE1 no hydrogen 3.117 N/A LEU 27.A N GLU 23.A O no hydrogen 3.019 N/A SER 28.A N ILE 24.A O no hydrogen 2.973 N/A SER 28.A OG LYS 25.A O no hydrogen 2.649 N/A GLU 29.A N LYS 25.A O no hydrogen 3.154 N/A GLU 29.A N ARG 26.A O no hydrogen 3.058 N/A LYS 30.A N ARG 26.A O no hydrogen 2.969 N/A PHE 31.A N LEU 27.A O no hydrogen 2.799 N/A LYS 32.A NZ GLU 29.A OE1 no hydrogen 3.127 N/A GLU 33.A N GLU 33.A OE1 no hydrogen 2.332 N/A VAL 34.A N PHE 31.A O no hydrogen 3.105 N/A GLU 35.A N PHE 2.A O no hydrogen 2.832 N/A VAL 37.A N VAL 4.A O no hydrogen 3.016 N/A PHE 38.A N LYS 75.A O no hydrogen 2.726 N/A LYS 39.A N ALA 6.A O no hydrogen 2.712 N/A LYS 39.A NZ ASN 9.A O no hydrogen 3.279 N/A LYS 39.A NZ SER 41.A OG no hydrogen 3.402 N/A LYS 39.A NZ GLU 215.A OE2 no hydrogen 2.932 N/A SER 40.A N THR 77.A O no hydrogen 3.477 N/A SER 40.A OG MET 8.A O no hydrogen 2.731 N/A SER 41.A N ASN 9.A O no hydrogen 2.878 N/A SER 41.A OG ASN 9.A O no hydrogen 3.399 N/A SER 41.A OG ASP 79.A OD1 no hydrogen 2.762 N/A SER 41.A OG ASP 79.A OD2 no hydrogen 3.490 N/A LYS 44.A N ARG 54.A O no hydrogen 2.826 N/A LYS 44.A NZ SER 41.A OG no hydrogen 3.175 N/A ARG 47.A NH1 PHE 53.A O no hydrogen 3.207 N/A ARG 47.A NH1 LEU 224.A O no hydrogen 2.865 N/A HIS 51.A N SER 49.A OG no hydrogen 3.055 N/A SER 52.A N SER 49.A O no hydrogen 3.307 N/A ARG 54.A NE ASP 43.A OD1 no hydrogen 3.126 N/A ARG 54.A NH2 ASP 43.A OD1 no hydrogen 3.546 N/A ARG 54.A NH2 ASP 43.A OD2 no hydrogen 2.929 N/A HIS 56.A NE2 GLU 12.A O no hydrogen 2.913 N/A GLY 61.A N GLY 57.A O no hydrogen 2.989 N/A VAL 62.A N LEU 58.A O no hydrogen 2.658 N/A LYS 63.A N GLU 59.A O no hydrogen 3.145 N/A ALA 64.A N TYR 60.A O no hydrogen 3.107 N/A LEU 65.A N GLY 61.A O no hydrogen 3.081 N/A ARG 66.A N VAL 62.A O no hydrogen 3.053 N/A LYS 67.A N LYS 63.A O no hydrogen 2.959 N/A VAL 68.A N ALA 64.A O no hydrogen 3.063 N/A VAL 68.A N LEU 65.A O no hydrogen 3.147 N/A LYS 69.A N LEU 65.A O no hydrogen 3.013 N/A LYS 69.A NZ VAL 92.A O no hydrogen 2.637 N/A LYS 69.A NZ ASP 94.A OD2 no hydrogen 2.740 N/A GLU 70.A N ARG 66.A O no hydrogen 2.913 N/A GLU 71.A N LYS 67.A O no hydrogen 2.929 N/A PHE 72.A N VAL 68.A O no hydrogen 3.008 N/A LYS 75.A NZ GLU 35.A OE2 no hydrogen 3.500 N/A ILE 76.A N ASP 94.A OD2 no hydrogen 2.802 N/A THR 77.A N PHE 38.A O no hydrogen 2.929 N/A THR 77.A OG1 ILE 95.A O no hydrogen 2.741 N/A THR 78.A OG1 SER 40.A O no hydrogen 2.605 N/A ILE 80.A N GLN 97.A O no hydrogen 2.959 N/A HIS 81.A N GLN 85.A OE1 no hydrogen 2.676 N/A GLU 82.A N GLN 85.A OE1 no hydrogen 3.229 N/A SER 83.A OG ASP 107.A O no hydrogen 3.115 N/A GLN 85.A N GLU 82.A O no hydrogen 2.807 N/A ALA 86.A N SER 83.A O no hydrogen 3.050 N/A VAL 89.A N GLN 85.A O no hydrogen 3.220 N/A ALA 90.A N ALA 86.A O no hydrogen 2.892 N/A GLU 91.A N PRO 88.A O no hydrogen 3.289 N/A VAL 92.A N VAL 89.A O no hydrogen 3.031 N/A ALA 93.A N VAL 89.A O no hydrogen 2.957 N/A ASP 94.A N ILE 76.A O no hydrogen 2.582 N/A ILE 95.A N ILE 76.A O no hydrogen 3.168 N/A ILE 96.A N ALA 118.A O no hydrogen 2.968 N/A GLN 97.A N THR 78.A O no hydrogen 2.769 N/A ILE 98.A N ASN 120.A O no hydrogen 2.968 N/A LEU 102.A N PRO 99.A O no hydrogen 2.961 N/A CYS 103.A N ALA 100.A O no hydrogen 3.281 N/A CYS 103.A SG ALA 100.A O no hydrogen 3.256 N/A GLN 105.A N LEU 102.A O no hydrogen 2.761 N/A LEU 108.A N GLN 105.A O no hydrogen 2.892 N/A LEU 109.A N GLN 105.A O no hydrogen 3.174 N/A LEU 110.A N THR 106.A O no hydrogen 2.822 N/A ALA 111.A N ASP 107.A O no hydrogen 2.923 N/A ALA 112.A N LEU 108.A O no hydrogen 3.053 N/A ALA 113.A N LEU 109.A O no hydrogen 3.022 N/A LYS 114.A N LEU 110.A O no hydrogen 2.849 N/A THR 115.A N ALA 112.A O no hydrogen 3.151 N/A THR 115.A OG1 ALA 112.A O no hydrogen 2.593 N/A GLY 116.A N ALA 113.A O no hydrogen 3.155 N/A ARG 117.A N THR 115.A OG1 no hydrogen 3.172 N/A ARG 117.A NE ALA 90.A O no hydrogen 2.862 N/A ARG 117.A NH2 ALA 90.A O no hydrogen 3.188 N/A ALA 118.A N ASP 94.A O no hydrogen 3.415 N/A VAL 119.A N GLU 146.A O no hydrogen 3.016 N/A ASN 120.A N ILE 96.A O no hydrogen 3.123 N/A VAL 121.A N TYR 148.A O no hydrogen 2.798 N/A LYS 122.A N ILE 98.A O no hydrogen 2.945 N/A LYS 122.A NZ ASP 180.A OD2 no hydrogen 2.939 N/A LYS 123.A N THR 150.A O no hydrogen 2.940 N/A LYS 123.A NZ GLU 151.A OE1 no hydrogen 2.580 N/A LYS 123.A NZ GLU 151.A OE2 no hydrogen 3.351 N/A GLN 125.A N GLN 125.A OE1 no hydrogen 2.551 N/A LEU 127.A N GLY 124.A O no hydrogen 3.105 N/A ALA 128.A N ASP 131.A OD2 no hydrogen 2.801 N/A ASP 131.A N ALA 128.A O no hydrogen 3.151 N/A THR 132.A N PRO 129.A O no hydrogen 3.247 N/A THR 132.A OG1 PRO 129.A O no hydrogen 2.542 N/A VAL 136.A N THR 132.A O no hydrogen 2.842 N/A GLU 137.A N LYS 133.A O no hydrogen 2.950 N/A LYS 138.A N ASN 134.A O no hydrogen 3.159 N/A LYS 138.A N VAL 135.A O no hydrogen 3.077 N/A LYS 138.A NZ THR 106.A OG1 no hydrogen 3.206 N/A LEU 139.A N VAL 135.A O no hydrogen 3.287 N/A LYS 140.A N VAL 136.A O no hydrogen 3.156 N/A PHE 141.A N GLU 137.A O no hydrogen 3.141 N/A GLY 142.A N LYS 138.A O no hydrogen 3.010 N/A GLY 142.A N LEU 139.A O no hydrogen 2.949 N/A GLY 143.A N LYS 140.A O no hydrogen 3.071 N/A ALA 144.A N LEU 139.A O no hydrogen 2.933 N/A TYR 148.A N VAL 119.A O no hydrogen 2.699 N/A TYR 148.A OH GLU 146.A OE2 no hydrogen 2.913 N/A LEU 149.A N LYS 176.A O no hydrogen 3.023 N/A THR 150.A N VAL 121.A O no hydrogen 2.821 N/A THR 150.A OG1 ASN 120.A OD1 no hydrogen 2.683 N/A GLU 151.A N ILE 178.A O no hydrogen 2.916 N/A ARG 152.A NE ARG 152.A O no hydrogen 2.971 N/A ARG 152.A NH2 GLN 186.A OE1 no hydrogen 3.180 N/A GLY 153.A N GLU 151.A OE2 no hydrogen 2.911 N/A THR 154.A N VAL 162.A O no hydrogen 2.835 N/A THR 155.A N GLN 125.A O no hydrogen 3.029 N/A THR 155.A OG1 GLN 125.A O no hydrogen 3.185 N/A PHE 156.A N ASN 160.A O no hydrogen 3.077 N/A ASN 159.A ND2 PRO 188.A O no hydrogen 2.812 N/A LEU 161.A N ASN 160.A OD1 no hydrogen 2.885 N/A VAL 162.A N THR 154.A O no hydrogen 2.948 N/A ARG 166.A N ASP 164.A OD1 no hydrogen 3.030 N/A ARG 166.A NE ASP 164.A OD1 no hydrogen 2.995 N/A ARG 166.A NE ASP 164.A OD2 no hydrogen 3.327 N/A ARG 166.A NH2 ASP 164.A OD2 no hydrogen 2.840 N/A SER 167.A N ASP 164.A O no hydrogen 2.953 N/A SER 167.A OG GLU 151.A OE1 no hydrogen 2.569 N/A SER 167.A OG ASP 164.A O no hydrogen 2.817 N/A LEU 168.A N PHE 165.A O no hydrogen 3.378 N/A MET 171.A N SER 167.A O no hydrogen 2.966 N/A LYS 172.A N LEU 168.A O no hydrogen 2.879 N/A LYS 172.A NZ LYS 172.A O no hydrogen 3.442 N/A GLN 173.A NE2 ILE 170.A O no hydrogen 2.859 N/A TRP 174.A N MET 171.A O no hydrogen 3.104 N/A ALA 175.A N MET 171.A O no hydrogen 3.196 N/A VAL 177.A N ASP 210.A OD2 no hydrogen 2.848 N/A ILE 178.A N LEU 149.A O no hydrogen 2.902 N/A TYR 179.A N GLY 211.A O no hydrogen 2.857 N/A ASP 180.A N GLU 151.A O no hydrogen 2.840 N/A ALA 181.A N PHE 213.A O no hydrogen 2.935 N/A THR 182.A N ASP 180.A OD1 no hydrogen 2.932 N/A HIS 183.A N ASP 180.A OD1 no hydrogen 2.866 N/A HIS 183.A ND1 ASP 180.A OD1 no hydrogen 3.256 N/A HIS 183.A ND1 ASP 180.A OD2 no hydrogen 2.751 N/A SER 184.A OG ASP 180.A O no hydrogen 2.603 N/A GLN 186.A N HIS 183.A O no hydrogen 3.087 N/A GLN 186.A NE2 ASP 226.A OD2 no hydrogen 3.511 N/A GLY 190.A N LEU 187.A O no hydrogen 2.914 N/A GLY 192.A N SER 228.A OG no hydrogen 3.368 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.994 N/A PHE 196.A N MET 193.A O no hydrogen 3.147 N/A ILE 197.A N ARG 194.A O no hydrogen 3.130 N/A LEU 200.A N PHE 196.A O no hydrogen 3.157 N/A ILE 201.A N ILE 197.A O no hydrogen 3.188 N/A ARG 202.A N PHE 198.A O no hydrogen 3.107 N/A ALA 203.A N PRO 199.A O no hydrogen 3.183 N/A ALA 204.A N LEU 200.A O no hydrogen 2.891 N/A VAL 205.A N ILE 201.A O no hydrogen 2.908 N/A ALA 206.A N ARG 202.A O no hydrogen 3.017 N/A VAL 207.A N ALA 203.A O no hydrogen 2.864 N/A GLY 208.A N ALA 204.A O no hydrogen 2.844 N/A CYS 209.A SG ALA 204.A O no hydrogen 3.909 N/A CYS 209.A SG GLY 211.A O no hydrogen 3.374 N/A ASP 210.A N VAL 177.A O no hydrogen 2.757 N/A VAL 212.A N LEU 3.A O no hydrogen 2.955 N/A PHE 213.A N TYR 179.A O no hydrogen 2.747 N/A MET 214.A N ILE 5.A O no hydrogen 2.927 N/A GLU 215.A N THR 182.A OG1 no hydrogen 2.939 N/A THR 216.A N GLY 7.A O no hydrogen 2.628 N/A THR 216.A OG1 LEU 231.A O no hydrogen 3.043 N/A HIS 217.A N LEU 231.A O no hydrogen 3.077 N/A HIS 217.A NE2 GLU 12.A OE1 no hydrogen 3.179 N/A GLU 219.A N HIS 217.A ND1 no hydrogen 2.804 N/A GLU 221.A N GLU 221.A OE2 no hydrogen 2.734 N/A LYS 222.A N GLU 219.A O no hydrogen 2.731 N/A LYS 222.A NZ GLU 221.A OE1 no hydrogen 3.440 N/A ALA 223.A N PRO 220.A O no hydrogen 3.170 N/A LEU 224.A N GLU 12.A OE2 no hydrogen 2.690 N/A THR 229.A N ASP 226.A O no hydrogen 2.966 N/A THR 229.A OG1 ASP 226.A O no hydrogen 3.223 N/A GLN 230.A N ALA 227.A O no hydrogen 3.473 N/A GLN 230.A NE2 SER 225.A O no hydrogen 2.894 N/A LEU 231.A N GLU 215.A O no hydrogen 3.250 N/A LEU 233.A N HIS 217.A O no hydrogen 3.043 N/A GLN 235.A N PRO 232.A O no hydrogen 2.941 N/A ILE 239.A N GLN 235.A O no hydrogen 3.253 N/A ILE 240.A N LEU 236.A O no hydrogen 2.897 N/A GLU 241.A N GLU 237.A O no hydrogen 3.068 N/A ALA 242.A N GLY 238.A O no hydrogen 2.995 N/A ILE 243.A N ILE 239.A O no hydrogen 2.842 N/A LEU 244.A N ILE 240.A O no hydrogen 3.074 N/A GLU 245.A N GLU 241.A O no hydrogen 3.044 N/A ILE 246.A N ALA 242.A O no hydrogen 2.799 N/A ARG 247.A N ILE 243.A O no hydrogen 2.784 N/A GLU 248.A N LEU 244.A O no hydrogen 2.832 N/A VAL 249.A N GLU 245.A O no hydrogen 3.401 N/A ALA 250.A N ILE 246.A O no hydrogen 2.863 N/A SER 251.A N ARG 247.A O no hydrogen 2.706 N/A SER 251.A OG ARG 247.A O no hydrogen 2.967 N/A SER 251.A OG GLU 248.A O no hydrogen 2.790 N/A LYS 252.A NZ VAL 249.A O no hydrogen 3.362 N/A TYR 253.A N ALA 250.A O no hydrogen 2.796 N/A TYR 254.A N SER 251.A O no hydrogen 3.148 N/A TYR 254.A OH VAL 205.A O no hydrogen 2.481 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.654 N/A