Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8zml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N ASP 4.A OD1 no hydrogen 3.276 N/A SER 6.A OG ASP 4.A OD1 no hydrogen 3.077 N/A ALA 12.A N ASP 10.A OD1 no hydrogen 2.934 N/A ILE 14.A N PRO 11.A O no hydrogen 3.136 N/A PHE 15.A N PRO 11.A O no hydrogen 3.366 N/A GLU 16.A N ARG 33.A O no hydrogen 3.142 N/A VAL 18.A N LYS 31.A O no hydrogen 3.065 N/A VAL 21.A N VAL 29.A O no hydrogen 3.090 N/A GLY 22.A N VAL 29.A O no hydrogen 3.170 N/A ASN 23.A ND2 GLN 28.A OE1 no hydrogen 3.302 N/A GLY 24.A N GLY 27.A O no hydrogen 3.196 N/A THR 25.A OG1 ASP 161.A OD1 no hydrogen 3.185 N/A THR 25.A OG1 ASP 161.A OD2 no hydrogen 3.145 N/A TYR 26.A OH GLY 163.A O no hydrogen 3.127 N/A GLN 28.A N VAL 45.A O no hydrogen 3.014 N/A VAL 29.A N GLY 22.A O no hydrogen 2.919 N/A TYR 30.A N ILE 43.A O no hydrogen 2.822 N/A LYS 31.A N GLU 19.A O no hydrogen 2.834 N/A GLY 32.A N ALA 41.A O no hydrogen 2.649 N/A ARG 33.A N GLU 16.A O no hydrogen 3.167 N/A HIS 34.A N GLN 39.A O no hydrogen 2.828 N/A VAL 35.A N ILE 14.A O no hydrogen 2.791 N/A THR 37.A N HIS 34.A ND1 no hydrogen 3.370 N/A THR 37.A OG1 HIS 34.A ND1 no hydrogen 3.119 N/A GLY 38.A N HIS 34.A O no hydrogen 2.971 N/A GLN 39.A N THR 37.A OG1 no hydrogen 3.198 N/A ALA 41.A N GLY 32.A O no hydrogen 2.688 N/A ALA 42.A N MET 95.A O no hydrogen 2.847 N/A ILE 43.A N TYR 30.A O no hydrogen 2.962 N/A LYS 44.A N LEU 93.A O no hydrogen 3.006 N/A LYS 44.A NZ GLY 24.A O no hydrogen 3.486 N/A LYS 44.A NZ GLU 59.A OE1 no hydrogen 3.525 N/A LYS 44.A NZ GLU 59.A OE2 no hydrogen 2.705 N/A VAL 45.A N GLN 28.A O no hydrogen 2.967 N/A MET 46.A N LEU 91.A O no hydrogen 3.214 N/A VAL 48.A N ASP 89.A O no hydrogen 2.808 N/A THR 49.A N ASP 47.A O no hydrogen 3.056 N/A THR 49.A OG1 GLU 52.A OE1 no hydrogen 2.635 N/A GLU 52.A N THR 49.A OG1 no hydrogen 3.165 N/A GLU 55.A N GLU 55.A OE2 no hydrogen 2.627 N/A ILE 56.A N GLU 53.A O no hydrogen 3.220 N/A LYS 57.A N GLU 53.A O no hydrogen 3.139 N/A LYS 57.A NZ GLU 53.A OE1 no hydrogen 2.776 N/A GLN 58.A N GLU 54.A O no hydrogen 3.010 N/A GLN 58.A NE2 SER 165.A O no hydrogen 3.224 N/A GLU 59.A N GLU 55.A O no hydrogen 3.398 N/A ILE 60.A N ILE 56.A O no hydrogen 3.150 N/A ASN 61.A N LYS 57.A O no hydrogen 3.130 N/A ASN 61.A ND2 LYS 57.A O no hydrogen 2.905 N/A MET 62.A N GLN 58.A O no hydrogen 3.104 N/A LEU 63.A N GLU 59.A O no hydrogen 2.886 N/A LYS 64.A N ILE 60.A O no hydrogen 2.729 N/A LYS 65.A N ASN 61.A O no hydrogen 2.999 N/A LYS 65.A NZ ASP 1.A OD1 no hydrogen 2.906 N/A LYS 65.A NZ ASP 1.A OD2 no hydrogen 3.180 N/A TYR 66.A N MET 62.A O no hydrogen 3.114 N/A TYR 66.A OH GLN 167.A OE1 no hydrogen 2.727 N/A SER 67.A N LEU 63.A O no hydrogen 3.102 N/A SER 67.A OG LEU 63.A O no hydrogen 2.458 N/A HIS 69.A N TYR 66.A O no hydrogen 3.311 N/A ARG 70.A NH1 GLU 126.A OE1 no hydrogen 3.004 N/A ASN 71.A N HIS 69.A ND1 no hydrogen 3.335 N/A ASN 71.A ND2 GLU 126.A OE1 no hydrogen 2.716 N/A ASN 71.A ND2 VAL 157.A O no hydrogen 3.376 N/A ILE 72.A N.A HIS 69.A O no hydrogen 3.166 N/A ILE 72.A N.B HIS 69.A O no hydrogen 3.160 N/A ALA 73.A N LEU 159.A O no hydrogen 3.267 N/A THR 74.A N GLU 96.A OE2 no hydrogen 3.231 N/A THR 74.A OG1 SER 67.A O no hydrogen 3.313 N/A TYR 75.A N SER 67.A OG no hydrogen 3.188 N/A TYR 76.A N VAL 94.A O no hydrogen 3.246 N/A PHE 79.A N TRP 92.A O no hydrogen 2.851 N/A ILE 80.A N ARG 9.A O no hydrogen 3.224 N/A LYS 81.A N GLN 90.A O no hydrogen 2.809 N/A ASN 83.A ND2 ASP 88.A O no hydrogen 2.970 N/A MET 87.A N PRO 84.A O no hydrogen 3.139 N/A GLN 90.A N LYS 81.A O no hydrogen 3.070 N/A LEU 91.A N MET 46.A O no hydrogen 2.875 N/A TRP 92.A N PHE 79.A O no hydrogen 2.738 N/A LEU 93.A N LYS 44.A O no hydrogen 3.017 N/A VAL 94.A N GLY 77.A O no hydrogen 2.946 N/A GLU 96.A N THR 74.A O no hydrogen 2.797 N/A ALA 100.A N LEU 151.A O no hydrogen 3.074 N/A GLY 101.A N CYS 98.A O no hydrogen 3.153 N/A VAL 103.A N GLY 146.A O no hydrogen 3.203 N/A VAL 103.A N VAL 149.A O no hydrogen 2.878 N/A THR 104.A OG1 GLN 147.A OE1 no hydrogen 2.887 N/A THR 104.A OG1 GLU 213.A OE1 no hydrogen 2.830 N/A ASP 105.A N SER 102.A OG no hydrogen 3.119 N/A LEU 106.A N SER 102.A O no hydrogen 3.238 N/A ILE 107.A N VAL 103.A O no hydrogen 2.948 N/A LYS 108.A N THR 104.A O no hydrogen 3.225 N/A ASN 109.A N ASP 105.A O no hydrogen 3.176 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.537 N/A THR 110.A OG1 HIS 292.A NE2 no hydrogen 2.978 N/A ASN 113.A N THR 110.A O no hydrogen 3.051 N/A THR 114.A OG1 LEU 115.A O no hydrogen 3.553 N/A THR 114.A OG1 ALA 215.A O no hydrogen 2.652 N/A LEU 115.A N MET 214.A O no hydrogen 3.187 N/A LYS 116.A NZ GLN 288.A OE1 no hydrogen 3.103 N/A ILE 120.A N LYS 116.A O no hydrogen 3.153 N/A ALA 121.A N GLU 117.A O no hydrogen 2.843 N/A TYR 122.A N GLU 118.A O no hydrogen 3.199 N/A TYR 122.A OH ALA 155.A O no hydrogen 3.025 N/A ILE 123.A N TRP 119.A O no hydrogen 2.851 N/A CYS 124.A N ILE 120.A O no hydrogen 2.869 N/A CYS 124.A SG ILE 120.A O no hydrogen 2.927 N/A ARG 125.A N ALA 121.A O no hydrogen 3.147 N/A ARG 125.A NH1 ILE 277.A O no hydrogen 3.421 N/A GLU 126.A N TYR 122.A O no hydrogen 3.142 N/A ILE 127.A N ILE 123.A O no hydrogen 2.868 N/A LEU 128.A N CYS 124.A O no hydrogen 2.964 N/A ARG 129.A N ARG 125.A O no hydrogen 2.814 N/A GLY 130.A N GLU 126.A O no hydrogen 3.046 N/A LEU 131.A N ILE 127.A O no hydrogen 2.726 N/A SER 132.A N LEU 128.A O no hydrogen 2.682 N/A HIS 133.A N ARG 129.A O no hydrogen 3.214 N/A LEU 134.A N GLY 130.A O no hydrogen 3.176 N/A HIS 135.A N LEU 131.A O no hydrogen 2.769 N/A HIS 135.A ND1 THR 268.A OG1 no hydrogen 2.830 N/A HIS 135.A NE2 ASP 203.A OD2 no hydrogen 2.991 N/A GLN 136.A N SER 132.A O no hydrogen 3.058 N/A HIS 137.A N LEU 134.A O no hydrogen 3.042 N/A HIS 137.A ND1 HIS 133.A O no hydrogen 2.692 N/A LYS 138.A N HIS 135.A O no hydrogen 3.132 N/A VAL 139.A N LEU 134.A O no hydrogen 2.927 N/A ILE 140.A N ALA 166.A O no hydrogen 3.056 N/A HIS 141.A N ASP 203.A OD2 no hydrogen 2.918 N/A HIS 141.A NE2 VAL 160.A O no hydrogen 2.969 N/A ARG 142.A N ASP 203.A OD1 no hydrogen 2.916 N/A ARG 142.A NE VAL 164.A O no hydrogen 2.764 N/A ARG 142.A NH2 VAL 164.A O no hydrogen 3.145 N/A LYS 145.A NZ THR 179.A OG1 no hydrogen 2.863 N/A GLY 146.A N GLU 213.A OE2 no hydrogen 2.884 N/A GLN 147.A N GLN 147.A OE1 no hydrogen 2.736 N/A ASN 148.A N LYS 145.A O no hydrogen 2.882 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.704 N/A ASN 148.A ND2 ASP 143.A OD2 no hydrogen 3.313 N/A VAL 149.A N GLY 146.A O no hydrogen 3.314 N/A LEU 150.A N LYS 158.A O no hydrogen 2.817 N/A LEU 151.A N GLY 101.A O no hydrogen 2.837 N/A THR 152.A N GLU 156.A O no hydrogen 3.122 N/A THR 152.A OG1 GLU 156.A O no hydrogen 3.547 N/A THR 152.A OG1 GLU 156.A OE2 no hydrogen 3.267 N/A ALA 155.A N THR 152.A O no hydrogen 3.021 N/A GLU 156.A N THR 152.A OG1 no hydrogen 3.004 N/A LYS 158.A N LEU 150.A O no hydrogen 2.877 N/A LYS 158.A NZ ARG 70.A O no hydrogen 2.764 N/A LYS 158.A NZ GLU 96.A OE2 no hydrogen 3.427 N/A LEU 159.A N ASN 71.A O no hydrogen 2.858 N/A VAL 160.A N ASN 148.A O no hydrogen 3.005 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 3.340 N/A SER 165.A N PHE 162.A O no hydrogen 3.483 N/A SER 165.A OG PHE 162.A O no hydrogen 2.633 N/A ALA 166.A N ILE 140.A O no hydrogen 2.900 N/A GLN 167.A NE2 HIS 137.A O no hydrogen 3.252 N/A GLN 167.A NE2 LEU 168.A O no hydrogen 3.003 N/A LEU 168.A N LYS 138.A O no hydrogen 2.849 N/A ARG 173.A NE THR 197.A OG1 no hydrogen 2.776 N/A ARG 173.A NH2 THR 197.A O no hydrogen 3.342 N/A ARG 174.A N TYR 198.A O no hydrogen 2.843 N/A THR 179.A OG1 ASP 143.A OD1 no hydrogen 2.631 N/A TYR 181.A OH MET 224.A O no hydrogen 3.004 N/A TRP 182.A N THR 179.A O no hydrogen 2.864 N/A TRP 182.A NE1 GLU 213.A OE2 no hydrogen 3.167 N/A MET 183.A N THR 179.A O no hydrogen 3.130 N/A MET 183.A N PRO 180.A O no hydrogen 3.251 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.723 N/A VAL 187.A N ALA 184.A O no hydrogen 3.169 N/A ILE 188.A N ALA 184.A O no hydrogen 3.060 N/A ALA 189.A N PRO 185.A O no hydrogen 2.944 N/A CYS 190.A N VAL 187.A O no hydrogen 3.221 N/A CYS 190.A SG GLU 186.A O no hydrogen 3.651 N/A CYS 190.A SG ALA 196.A O no hydrogen 3.222 N/A ASP 191.A N ILE 188.A O no hydrogen 3.133 N/A ASN 193.A N ALA 189.A O no hydrogen 3.029 N/A ASP 195.A N ASN 193.A OD1 no hydrogen 3.303 N/A TYR 198.A N ARG 174.A O no hydrogen 2.821 N/A LYS 201.A N ASP 199.A OD1 no hydrogen 3.260 N/A LYS 201.A NZ HIS 262.A O no hydrogen 2.874 N/A LYS 201.A NZ ARG 265.A O no hydrogen 2.692 N/A SER 202.A N ASP 199.A O no hydrogen 3.189 N/A SER 202.A OG ASP 199.A O no hydrogen 2.734 N/A ASP 203.A N PHE 200.A O no hydrogen 2.995 N/A LEU 204.A N LYS 201.A O no hydrogen 3.039 N/A SER 206.A N SER 202.A O no hydrogen 3.304 N/A SER 206.A OG TRP 182.A O no hydrogen 2.738 N/A SER 206.A OG SER 202.A O no hydrogen 3.361 N/A LEU 207.A N ASP 203.A O no hydrogen 2.941 N/A GLY 208.A N LEU 204.A O no hydrogen 3.187 N/A ILE 209.A N TRP 205.A O no hydrogen 2.953 N/A THR 210.A N SER 206.A O no hydrogen 2.839 N/A THR 210.A OG1 SER 206.A O no hydrogen 2.510 N/A ALA 211.A N LEU 207.A O no hydrogen 2.886 N/A ILE 212.A N GLY 208.A O no hydrogen 3.301 N/A GLU 213.A N ILE 209.A O no hydrogen 2.775 N/A MET 214.A N THR 210.A O no hydrogen 3.039 N/A ALA 215.A N ALA 211.A O no hydrogen 2.908 N/A GLU 216.A N ILE 212.A O no hydrogen 2.844 N/A GLY 217.A N GLU 213.A O no hydrogen 2.887 N/A CYS 222.A SG.B ASP 223.A OD1 no hydrogen 3.531 N/A MET 227.A N.A HIS 225.A ND1 no hydrogen 3.417 N/A MET 227.A N.B HIS 225.A ND1 no hydrogen 3.421 N/A ALA 229.A N HIS 225.A O no hydrogen 2.939 N/A ALA 229.A N PRO 226.A O no hydrogen 3.024 N/A LEU 230.A N PRO 226.A O no hydrogen 2.885 N/A LEU 232.A N ALA 229.A O no hydrogen 3.246 N/A ILE 233.A N ALA 229.A O no hydrogen 3.228 N/A ARG 235.A N LEU 232.A O no hydrogen 3.007 N/A ARG 235.A NE PHE 231.A O no hydrogen 3.072 N/A ASN 236.A N LEU 232.A O no hydrogen 2.595 N/A LYS 242.A N GLU 216.A OE2 no hydrogen 2.778 N/A LYS 245.A N SER 243.A OG no hydrogen 3.233 N/A SER 247.A N GLU 117.A OE1 no hydrogen 3.071 N/A SER 247.A OG GLU 117.A OE1 no hydrogen 2.822 N/A GLN 251.A N SER 247.A O no hydrogen 3.175 N/A GLN 251.A NE2 LYS 244.A O no hydrogen 3.621 N/A GLN 251.A NE2 TRP 246.A O no hydrogen 2.800 N/A SER 252.A N LYS 248.A O no hydrogen 2.990 N/A SER 252.A OG HIS 274.A NE2 no hydrogen 2.981 N/A PHE 253.A N LYS 249.A O no hydrogen 2.981 N/A ILE 254.A N PHE 250.A O no hydrogen 3.145 N/A GLU 255.A N GLN 251.A O no hydrogen 3.089 N/A SER 256.A N SER 252.A O no hydrogen 2.984 N/A SER 256.A OG SER 252.A O no hydrogen 2.753 N/A CYS 257.A N PHE 253.A O no hydrogen 2.895 N/A CYS 257.A SG PHE 253.A O no hydrogen 3.337 N/A LEU 258.A N ILE 254.A O no hydrogen 2.905 N/A LYS 260.A NZ PRO 234.A O no hydrogen 2.907 N/A LYS 260.A NZ ASN 236.A O no hydrogen 2.703 N/A GLN 264.A N ASN 261.A O no hydrogen 3.230 N/A ARG 265.A NE VAL 259.A O no hydrogen 2.765 N/A ARG 265.A NH1 GLU 186.A OE2 no hydrogen 2.741 N/A ARG 265.A NH1 LYS 201.A O no hydrogen 2.946 N/A ARG 265.A NH2 GLU 186.A OE1 no hydrogen 3.014 N/A ARG 265.A NH2 VAL 259.A O no hydrogen 2.884 N/A ARG 265.A NH2 LYS 260.A O no hydrogen 3.314 N/A ALA 267.A N GLN 270.A OE1 no hydrogen 3.377 N/A THR 268.A OG1 HIS 135.A ND1 no hydrogen 2.830 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.705 N/A LEU 271.A N ALA 267.A O no hydrogen 3.283 N/A MET 272.A N.A THR 268.A O no hydrogen 3.221 N/A MET 272.A N.B THR 268.A O no hydrogen 3.206 N/A LYS 273.A N GLN 270.A O no hydrogen 3.232 N/A HIS 274.A N LEU 271.A O no hydrogen 3.241 N/A HIS 274.A NE2 SER 252.A OG no hydrogen 2.981 N/A PHE 276.A N HIS 274.A ND1 no hydrogen 3.448 N/A ILE 277.A N HIS 274.A O no hydrogen 2.834 N/A ARG 278.A N HIS 274.A O no hydrogen 2.901 N/A ARG 278.A NE ASP 279.A OD1 no hydrogen 2.834 N/A ASP 279.A N PRO 275.A O no hydrogen 2.870 N/A GLN 280.A NE2 ALA 121.A O no hydrogen 3.178 N/A GLN 280.A NE2 ILE 277.A O no hydrogen 2.749 N/A ARG 286.A N GLN 284.A O no hydrogen 3.107 N/A GLN 288.A NE2 GLU 118.A OE2 no hydrogen 3.297 N/A LYS 290.A N ARG 286.A O no hydrogen 3.295 N/A ASP 291.A N ILE 287.A O no hydrogen 2.786 N/A HIS 292.A N GLN 288.A O no hydrogen 2.725 N/A HIS 292.A NE2 ASN 109.A O no hydrogen 2.922 N/A ILE 293.A N LEU 289.A O no hydrogen 3.013 N/A ARG 295.A N ASP 291.A O no hydrogen 3.052 N/A THR 296.A OG1 HIS 292.A O no hydrogen 3.447 N/A LYS 297.A N ILE 293.A O no hydrogen 3.229 N/A LYS 298.A N ASP 294.A O no hydrogen 3.393 N/A