Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lll_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N GLU 5.A OE1 no hydrogen 2.922 N/A TRP 4.A N SER 2.A OG no hydrogen 3.286 N/A GLU 5.A N SER 2.A O no hydrogen 3.121 N/A GLY 7.A N GLN 127.A OE1 no hydrogen 3.382 N/A ASN 8.A N GLU 5.A O no hydrogen 3.014 N/A ASN 8.A ND2 SER 2.A O no hydrogen 3.107 N/A VAL 13.A N LYS 10.A O no hydrogen 2.827 N/A LYS 14.A N LYS 10.A O no hydrogen 2.581 N/A ARG 15.A NH1 GLN 219.A OE1 no hydrogen 2.951 N/A ARG 15.A NH2 GLN 219.A OE1 no hydrogen 3.015 N/A ILE 16.A N VAL 13.A O no hydrogen 2.921 N/A ASP 18.A N LYS 14.A O no hydrogen 3.196 N/A GLY 19.A N ARG 15.A O no hydrogen 2.947 N/A HIS 20.A N ILE 16.A O no hydrogen 3.316 N/A ARG 21.A N ASP 17.A O no hydrogen 3.180 N/A ARG 21.A NE ASP 25.A OD2 no hydrogen 3.267 N/A LEU 22.A N ASP 18.A O no hydrogen 2.780 N/A CYS 23.A N GLY 19.A O no hydrogen 3.376 N/A CYS 23.A SG GLY 19.A O no hydrogen 3.481 N/A GLY 24.A N HIS 20.A O no hydrogen 3.328 N/A ASP 25.A N ARG 21.A O no hydrogen 2.936 N/A LEU 26.A N LEU 22.A O no hydrogen 2.851 N/A MET 27.A N CYS 23.A O no hydrogen 2.921 N/A ASN 28.A N GLY 24.A O no hydrogen 3.112 N/A CYS 29.A N ASP 25.A O no hydrogen 2.774 N/A LEU 30.A N LEU 26.A O no hydrogen 3.054 N/A HIS 31.A N MET 27.A O no hydrogen 2.841 N/A GLU 32.A N ASN 28.A O no hydrogen 2.969 N/A ALA 34.A N LEU 30.A O no hydrogen 2.986 N/A ARG 35.A N HIS 31.A O no hydrogen 2.935 N/A ILE 36.A N ARG 33.A O no hydrogen 3.245 N/A GLU 37.A N ARG 33.A O no hydrogen 3.175 N/A LYS 38.A N ALA 34.A O no hydrogen 2.857 N/A ALA 39.A N ARG 35.A O no hydrogen 3.330 N/A TYR 40.A N ILE 36.A O no hydrogen 2.874 N/A ALA 41.A N GLU 37.A O no hydrogen 3.244 N/A GLN 42.A N LYS 38.A O no hydrogen 2.853 N/A GLN 43.A N ALA 39.A O no hydrogen 3.171 N/A LEU 44.A N TYR 40.A O no hydrogen 3.300 N/A LEU 44.A N ALA 41.A O no hydrogen 2.908 N/A THR 45.A N ALA 41.A O no hydrogen 2.949 N/A THR 45.A OG1 ALA 41.A O no hydrogen 3.329 N/A THR 45.A OG1 GLN 42.A O no hydrogen 3.249 N/A GLU 46.A N GLN 42.A O no hydrogen 3.233 N/A TRP 47.A N GLN 43.A O no hydrogen 3.162 N/A ALA 48.A N LEU 44.A O no hydrogen 3.007 N/A ALA 48.A N THR 45.A O no hydrogen 3.086 N/A ARG 49.A N THR 45.A O no hydrogen 2.950 N/A TRP 51.A N TRP 47.A O no hydrogen 3.245 N/A ARG 52.A N ALA 48.A O no hydrogen 2.740 N/A ARG 52.A NH1 SER 73.A OG no hydrogen 2.782 N/A VAL 55.A N TRP 51.A O no hydrogen 2.946 N/A LYS 57.A N GLN 53.A O no hydrogen 2.771 N/A GLY 58.A N VAL 55.A O no hydrogen 3.056 N/A THR 63.A N ASP 267.A OD1 no hydrogen 2.947 N/A THR 63.A OG1 ASP 263.A O no hydrogen 2.911 N/A THR 63.A OG1 ASP 267.A OD1 no hydrogen 2.952 N/A THR 63.A OG1 ASP 267.A OD2 no hydrogen 3.285 N/A VAL 64.A N ASP 267.A OD2 no hydrogen 3.387 N/A LYS 66.A N GLY 62.A O no hydrogen 3.342 N/A LYS 66.A NZ GLY 62.A O no hydrogen 3.516 N/A ALA 67.A N THR 63.A O no hydrogen 2.890 N/A TRP 68.A N VAL 64.A O no hydrogen 2.943 N/A ILE 69.A N GLU 65.A O no hydrogen 2.909 N/A ALA 70.A N LYS 66.A O no hydrogen 2.748 N/A VAL 71.A N TRP 68.A O no hydrogen 2.813 N/A SER 73.A N ILE 69.A O no hydrogen 3.271 N/A GLU 74.A N ALA 70.A O no hydrogen 3.393 N/A ALA 75.A N VAL 71.A O no hydrogen 2.914 N/A GLU 76.A N SER 73.A O no hydrogen 2.953 N/A ARG 77.A N SER 73.A O no hydrogen 2.839 N/A VAL 78.A N GLU 74.A O no hydrogen 2.990 N/A SER 79.A N ALA 75.A O no hydrogen 3.446 N/A SER 79.A OG ALA 41.A O no hydrogen 2.918 N/A GLU 80.A N GLU 76.A O no hydrogen 2.832 N/A LEU 81.A N ARG 77.A O no hydrogen 3.322 N/A LEU 81.A N VAL 78.A O no hydrogen 2.782 N/A HIS 82.A N VAL 78.A O no hydrogen 3.104 N/A HIS 82.A ND1 GLU 37.A OE1 no hydrogen 2.894 N/A LEU 83.A N SER 79.A O no hydrogen 3.039 N/A GLU 84.A N GLU 80.A O no hydrogen 3.221 N/A GLU 84.A N LEU 81.A O no hydrogen 2.855 N/A VAL 85.A N LEU 81.A O no hydrogen 3.130 N/A LYS 86.A N HIS 82.A O no hydrogen 3.088 N/A ALA 87.A N LEU 83.A O no hydrogen 3.154 N/A SER 88.A N GLU 84.A O no hydrogen 2.937 N/A SER 88.A OG GLU 84.A O no hydrogen 2.811 N/A LEU 89.A N VAL 85.A O no hydrogen 2.763 N/A MET 90.A N LYS 86.A O no hydrogen 2.970 N/A ASN 91.A N ALA 87.A O no hydrogen 2.585 N/A GLU 92.A N SER 88.A O no hydrogen 3.080 N/A PHE 94.A N LEU 89.A O no hydrogen 2.734 N/A LYS 96.A N GLU 92.A O no hydrogen 2.627 N/A LYS 96.A NZ GLU 235.A OE1 no hydrogen 3.203 N/A LYS 96.A NZ GLU 235.A OE2 no hydrogen 3.330 N/A ILE 97.A N ASP 93.A O no hydrogen 3.127 N/A LYS 98.A N PHE 94.A O no hydrogen 2.998 N/A ASN 99.A N GLU 95.A O no hydrogen 3.234 N/A TRP 100.A N LYS 96.A O no hydrogen 2.931 N/A GLN 101.A N ILE 97.A O no hydrogen 2.817 N/A LYS 102.A N LYS 98.A O no hydrogen 3.256 N/A LYS 102.A N ASN 99.A O no hydrogen 3.335 N/A GLU 103.A N ASN 99.A O no hydrogen 3.217 N/A PHE 105.A N LYS 102.A O no hydrogen 3.479 N/A HIS 106.A N GLU 115.A OE1 no hydrogen 2.822 N/A GLN 108.A N GLY 112.A O no hydrogen 2.653 N/A LYS 114.A N HIS 106.A O no hydrogen 2.805 N/A LYS 114.A NZ GLU 118.A OE2 no hydrogen 3.178 N/A THR 116.A N PHE 113.A O no hydrogen 2.819 N/A THR 116.A OG1 ASP 17.A OD1 no hydrogen 2.589 N/A LYS 117.A N PHE 113.A O no hydrogen 3.059 N/A PHE 123.A N ALA 119.A O no hydrogen 2.714 N/A ARG 124.A N GLU 120.A O no hydrogen 3.091 N/A ARG 124.A NE TYR 9.A OH no hydrogen 3.287 N/A LYS 125.A N ASP 121.A O no hydrogen 3.091 N/A ALA 126.A N GLY 122.A O no hydrogen 3.260 N/A ALA 126.A N PHE 123.A O no hydrogen 3.020 N/A GLN 127.A N ARG 124.A O no hydrogen 3.137 N/A GLN 127.A NE2 TYR 207.A OH no hydrogen 3.123 N/A LYS 128.A N ARG 124.A O no hydrogen 2.769 N/A ALA 131.A N GLN 127.A O no hydrogen 2.789 N/A LYS 132.A N LYS 128.A O no hydrogen 2.818 N/A LYS 133.A N PRO 129.A O no hydrogen 3.083 N/A LYS 133.A NZ GLU 136.A OE1 no hydrogen 3.148 N/A LEU 134.A N ALA 131.A O no hydrogen 2.895 N/A LYS 135.A N ALA 131.A O no hydrogen 2.824 N/A GLU 138.A N LEU 134.A O no hydrogen 2.775 N/A ALA 139.A N LYS 135.A O no hydrogen 3.302 N/A ALA 140.A N GLU 136.A O no hydrogen 2.917 N/A LYS 141.A N VAL 137.A O no hydrogen 2.936 N/A LYS 141.A NZ GLU 138.A OE1 no hydrogen 3.550 N/A ALA 143.A N ALA 140.A O no hydrogen 3.153 N/A HIS 144.A N ALA 140.A O no hydrogen 3.017 N/A HIS 145.A N LYS 141.A O no hydrogen 3.306 N/A THR 146.A OG1 LYS 142.A O no hydrogen 2.725 N/A CYS 148.A N HIS 144.A O no hydrogen 2.865 N/A GLU 151.A N CYS 148.A O no hydrogen 3.313 N/A ALA 154.A N GLU 151.A O no hydrogen 2.859 N/A ILE 155.A N GLU 151.A O no hydrogen 3.315 N/A ILE 155.A N LYS 152.A O no hydrogen 3.289 N/A SER 156.A N LEU 153.A O no hydrogen 3.233 N/A SER 156.A OG LYS 152.A O no hydrogen 3.545 N/A GLU 158.A N ILE 155.A O no hydrogen 3.088 N/A ALA 159.A N ILE 155.A O no hydrogen 2.843 N/A ASN 160.A N SER 156.A O no hydrogen 3.062 N/A SER 161.A N GLU 158.A O no hydrogen 2.968 N/A SER 166.A N ASP 164.A O no hydrogen 2.615 N/A SER 166.A OG ASP 164.A O no hydrogen 3.487 N/A GLN 171.A N ASN 168.A O no hydrogen 2.803 N/A LEU 172.A N ASN 168.A O no hydrogen 3.428 N/A LYS 173.A N PRO 169.A O no hydrogen 3.007 N/A LYS 173.A NZ ASP 177.A OD1 no hydrogen 2.894 N/A LYS 174.A N GLN 171.A O no hydrogen 2.871 N/A LEU 175.A N GLN 171.A O no hydrogen 3.310 N/A GLN 176.A N LYS 173.A O no hydrogen 3.089 N/A ASP 177.A N LYS 173.A O no hydrogen 2.904 N/A ILE 179.A N GLN 176.A O no hydrogen 3.362 N/A GLU 180.A N ASP 177.A O no hydrogen 2.925 N/A CYS 182.A N LYS 178.A O no hydrogen 2.971 N/A CYS 182.A SG GLU 150.A O no hydrogen 4.048 N/A LYS 183.A N LYS 178.A O no hydrogen 3.430 N/A GLN 184.A NE2 GLU 180.A OE1 no hydrogen 3.194 N/A ASP 185.A N LYS 181.A O no hydrogen 3.344 N/A VAL 186.A N LYS 183.A O no hydrogen 3.174 N/A LEU 187.A N LYS 183.A O no hydrogen 3.176 N/A LYS 188.A N GLN 184.A O no hydrogen 2.904 N/A THR 189.A OG1 ASP 185.A O no hydrogen 2.626 N/A LYS 190.A N VAL 186.A O no hydrogen 3.178 N/A LYS 192.A N LYS 188.A O no hydrogen 3.198 N/A TYR 193.A N THR 189.A O no hydrogen 2.700 N/A GLU 194.A N LYS 190.A O no hydrogen 3.139 N/A SER 196.A N LYS 192.A O no hydrogen 3.108 N/A SER 196.A OG LYS 192.A O no hydrogen 3.514 N/A LEU 197.A N GLU 194.A O no hydrogen 2.965 N/A LYS 198.A N GLU 194.A O no hydrogen 2.812 N/A GLU 199.A N LYS 195.A O no hydrogen 2.717 N/A LEU 200.A N SER 196.A O no hydrogen 3.262 N/A ASP 201.A N LEU 197.A O no hydrogen 2.930 N/A GLN 202.A N GLU 199.A O no hydrogen 3.235 N/A THR 203.A N LEU 200.A O no hydrogen 2.911 N/A THR 203.A OG1 GLU 199.A O no hydrogen 3.116 N/A TYR 207.A OH TRP 4.A O no hydrogen 3.139 N/A MET 208.A N THR 204.A O no hydrogen 2.882 N/A GLU 209.A N PRO 205.A O no hydrogen 3.028 N/A ASN 210.A N GLN 206.A O no hydrogen 3.170 N/A ASN 210.A ND2 GLN 206.A OE1 no hydrogen 3.568 N/A MET 211.A N TYR 207.A O no hydrogen 2.905 N/A GLU 212.A N MET 208.A O no hydrogen 2.763 N/A GLU 212.A N GLU 209.A O no hydrogen 3.147 N/A GLN 213.A N GLU 209.A O no hydrogen 3.210 N/A VAL 214.A N ASN 210.A O no hydrogen 3.432 N/A PHE 215.A N MET 211.A O no hydrogen 3.443 N/A GLU 216.A N GLU 212.A O no hydrogen 2.788 N/A GLN 217.A N GLN 213.A O no hydrogen 2.849 N/A CYS 218.A N VAL 214.A O no hydrogen 3.270 N/A CYS 218.A N PHE 215.A O no hydrogen 2.911 N/A CYS 218.A SG VAL 214.A O no hydrogen 3.254 N/A GLN 219.A N PHE 215.A O no hydrogen 2.961 N/A GLN 220.A N GLU 216.A O no hydrogen 2.833 N/A GLN 220.A NE2 GLU 216.A OE1 no hydrogen 3.196 N/A PHE 221.A N GLN 217.A O no hydrogen 3.489 N/A GLU 222.A N CYS 218.A O no hydrogen 2.743 N/A GLU 223.A N GLN 219.A O no hydrogen 2.988 N/A LYS 224.A N GLN 220.A O no hydrogen 3.344 N/A ARG 225.A NH2 GLU 222.A OE1 no hydrogen 2.722 N/A LEU 226.A N GLU 222.A O no hydrogen 3.114 N/A ARG 227.A N GLU 223.A O no hydrogen 2.901 N/A PHE 228.A N LYS 224.A O no hydrogen 2.946 N/A PHE 229.A N ARG 225.A O no hydrogen 2.826 N/A ARG 230.A N LEU 226.A O no hydrogen 3.089 N/A GLU 231.A N ARG 227.A O no hydrogen 2.949 N/A VAL 232.A N PHE 228.A O no hydrogen 2.779 N/A LEU 233.A N PHE 229.A O no hydrogen 2.843 N/A LEU 234.A N ARG 230.A O no hydrogen 2.986 N/A GLU 235.A N GLU 231.A O no hydrogen 3.326 N/A VAL 236.A N VAL 232.A O no hydrogen 2.850 N/A GLN 237.A N LEU 233.A O no hydrogen 2.734 N/A GLN 237.A NE2 LEU 234.A O no hydrogen 2.797 N/A LYS 238.A N LEU 234.A O no hydrogen 3.187 N/A HIS 239.A N GLU 235.A O no hydrogen 2.827 N/A HIS 239.A N VAL 236.A O no hydrogen 2.887 N/A ASP 241.A N GLN 237.A O no hydrogen 3.086 N/A SER 243.A N ASP 241.A OD1 no hydrogen 3.079 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.662 N/A SER 243.A OG ASP 241.A OD2 no hydrogen 2.868 N/A SER 243.A OG ASN 244.A OD1 no hydrogen 3.164 N/A TYR 248.A N VAL 245.A O no hydrogen 3.150 N/A THR 250.A N ALA 246.A O no hydrogen 3.371 N/A THR 250.A OG1 ALA 246.A O no hydrogen 2.878 N/A ILE 251.A N SER 247.A O no hydrogen 3.128 N/A TYR 252.A N LYS 249.A O no hydrogen 3.309 N/A ARG 253.A N LYS 249.A O no hydrogen 3.108 N/A GLU 254.A N THR 250.A O no hydrogen 2.820 N/A LEU 255.A N ILE 251.A O no hydrogen 2.969 N/A GLU 256.A N TYR 252.A O no hydrogen 2.823 N/A SER 258.A N GLU 254.A O no hydrogen 3.052 N/A SER 258.A OG GLU 254.A O no hydrogen 2.709 N/A ILE 259.A N LEU 255.A O no hydrogen 2.961 N/A LYS 260.A N GLU 256.A O no hydrogen 3.003 N/A LYS 260.A NZ GLU 256.A OE1 no hydrogen 2.928 N/A ALA 262.A N ILE 259.A O no hydrogen 3.086 N/A ASP 267.A N ASP 263.A O no hydrogen 3.492 N/A LEU 268.A N ALA 264.A O no hydrogen 3.207 N/A ARG 269.A N VAL 265.A O no hydrogen 2.957 N/A TRP 270.A N GLU 266.A O no hydrogen 3.385 N/A PHE 271.A N ASP 267.A O no hydrogen 3.228 N/A ARG 272.A N LEU 268.A O no hydrogen 3.223 N/A ASN 274.A N PHE 271.A O no hydrogen 2.990 N/A HIS 275.A N PHE 271.A O no hydrogen 2.738 N/A GLY 278.A N ARG 272.A O no hydrogen 2.669 N/A MET 279.A N GLY 276.A O no hydrogen 2.998 N/A