Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N GLU 5.A OE1 no hydrogen 2.754 N/A VAL 7.A N GLY 3.A O no hydrogen 3.437 N/A LYS 8.A N PRO 4.A O no hydrogen 3.004 N/A LEU 9.A N GLU 5.A O no hydrogen 2.711 N/A LYS 10.A N ILE 6.A O no hydrogen 2.556 N/A LYS 10.A NZ ASP 234.A OD2 no hydrogen 2.404 N/A LYS 10.A NZ ASP 262.A O no hydrogen 3.321 N/A LYS 11.A N VAL 7.A O no hydrogen 3.110 N/A ILE 12.A N LYS 8.A O no hydrogen 3.007 N/A LEU 13.A N LEU 9.A O no hydrogen 3.006 N/A ARG 14.A N LYS 10.A O no hydrogen 3.010 N/A ARG 14.A NH1 GLU 189.A O no hydrogen 3.159 N/A GLU 15.A N LYS 11.A O no hydrogen 2.852 N/A LYS 16.A N ILE 12.A O no hydrogen 2.900 N/A ALA 17.A N LEU 13.A O no hydrogen 3.192 N/A THR 22.A N PRO 19.A O no hydrogen 3.340 N/A THR 22.A OG1 PRO 19.A O no hydrogen 3.109 N/A MET 29.A N PRO 25.A O no hydrogen 3.032 N/A ARG 30.A N LEU 26.A O no hydrogen 2.814 N/A ARG 30.A NE VAL 79.A O no hydrogen 2.692 N/A ARG 30.A NH1 GLU 111.A OE1 no hydrogen 2.947 N/A ARG 30.A NH2 VAL 79.A O no hydrogen 3.006 N/A ARG 30.A NH2 GLU 111.A OE1 no hydrogen 3.549 N/A ARG 30.A NH2 GLU 111.A OE2 no hydrogen 2.865 N/A LYS 31.A N ASP 27.A O no hydrogen 3.011 N/A GLY 32.A N VAL 28.A O no hydrogen 3.067 N/A MET 33.A N MET 29.A O no hydrogen 3.108 N/A GLU 34.A N ARG 30.A O no hydrogen 3.191 N/A LYS 35.A N LYS 31.A O no hydrogen 2.832 N/A VAL 36.A N GLY 32.A O no hydrogen 3.080 N/A ALA 37.A N GLU 34.A O no hydrogen 3.135 N/A ILE 44.A N ALA 41.A O no hydrogen 3.036 N/A GLN 45.A N ARG 60.A O no hydrogen 2.937 N/A GLU 47.A N TRP 58.A O no hydrogen 3.019 N/A VAL 49.A N ALA 56.A O no hydrogen 2.903 N/A VAL 51.A N CYS 54.A O no hydrogen 2.817 N/A CYS 54.A N VAL 51.A O no hydrogen 2.826 N/A CYS 54.A SG ALA 52.A O no hydrogen 3.789 N/A ALA 56.A N VAL 49.A O no hydrogen 2.874 N/A GLU 57.A N LEU 103.A O no hydrogen 3.179 N/A TRP 58.A N GLU 47.A O no hydrogen 2.932 N/A VAL 59.A N ALA 101.A O no hydrogen 2.795 N/A ARG 60.A N GLN 45.A O no hydrogen 2.915 N/A ARG 60.A NH2 GLU 47.A OE1 no hydrogen 2.925 N/A ALA 61.A N SER 94.A OG no hydrogen 3.117 N/A CYS 64.A SG ALA 61.A O no hydrogen 3.535 N/A CYS 64.A SG SER 94.A OG no hydrogen 3.615 N/A GLN 65.A N GLN 98.A O no hydrogen 2.950 N/A LYS 68.A N GLN 65.A O no hydrogen 3.267 N/A ALA 69.A N HIS 137.A O no hydrogen 3.203 N/A ILE 70.A N ALA 100.A O no hydrogen 2.862 N/A LEU 71.A N SER 139.A O no hydrogen 2.897 N/A TYR 72.A N LEU 102.A O no hydrogen 2.892 N/A TYR 72.A OH ASP 143.A OD1 no hydrogen 2.850 N/A LEU 73.A N SER 141.A O no hydrogen 2.679 N/A HIS 74.A ND1 GLY 75.A O no hydrogen 2.596 N/A GLY 75.A N HIS 86.A NE2 no hydrogen 3.202 N/A VAL 79.A N GLY 76.A O no hydrogen 2.893 N/A MET 80.A N GLY 76.A O no hydrogen 2.722 N/A SER 82.A N THR 85.A OG1 no hydrogen 3.032 N/A SER 82.A OG GLU 34.A OE1 no hydrogen 3.093 N/A SER 82.A OG GLU 34.A OE2 no hydrogen 2.725 N/A THR 85.A N SER 82.A OG no hydrogen 3.378 N/A THR 85.A OG1 SER 82.A O no hydrogen 2.940 N/A THR 85.A OG1 HIS 86.A ND1 no hydrogen 2.645 N/A HIS 86.A N ILE 83.A O no hydrogen 3.361 N/A HIS 86.A ND1 THR 85.A OG1 no hydrogen 2.645 N/A HIS 86.A NE2 ASP 143.A OD2 no hydrogen 2.878 N/A ARG 87.A NE GLU 57.A OE1 no hydrogen 2.841 N/A ARG 87.A NH2 GLU 57.A OE1 no hydrogen 3.383 N/A ARG 87.A NH2 GLU 57.A OE2 no hydrogen 2.742 N/A ARG 87.A NH2 ASN 84.A OD1 no hydrogen 3.146 N/A SER 88.A OG HIS 271.A NE2 no hydrogen 2.979 N/A VAL 90.A N HIS 86.A O no hydrogen 3.015 N/A GLY 91.A N ARG 87.A O no hydrogen 2.932 N/A GLU 92.A N SER 88.A O no hydrogen 3.263 N/A ILE 93.A N MET 89.A O no hydrogen 3.080 N/A SER 94.A N VAL 90.A O no hydrogen 2.995 N/A SER 94.A OG VAL 59.A O no hydrogen 3.482 N/A SER 94.A OG ALA 99.A O no hydrogen 2.596 N/A ARG 95.A N GLY 91.A O no hydrogen 2.924 N/A ARG 95.A NE GLU 92.A OE1 no hydrogen 2.861 N/A ARG 95.A NH1 ASP 43.A OD1 no hydrogen 3.298 N/A ARG 95.A NH1 ASP 43.A OD2 no hydrogen 2.561 N/A ARG 95.A NH2 ASP 43.A OD1 no hydrogen 2.718 N/A ALA 96.A N GLU 92.A O no hydrogen 2.982 N/A SER 97.A N ILE 93.A O no hydrogen 2.892 N/A SER 97.A OG ILE 93.A O no hydrogen 2.782 N/A GLN 98.A N ARG 95.A O no hydrogen 3.464 N/A ALA 99.A N SER 94.A O no hydrogen 3.234 N/A ALA 101.A N VAL 59.A O no hydrogen 2.886 N/A LEU 102.A N ILE 70.A O no hydrogen 2.538 N/A LEU 103.A N GLU 57.A O no hydrogen 2.693 N/A LEU 104.A N TYR 72.A O no hydrogen 3.467 N/A ASP 105.A N ALA 55.A O no hydrogen 2.888 N/A TYR 106.A OH HIS 74.A O no hydrogen 2.608 N/A ARG 107.A N ASP 120.A OD2 no hydrogen 2.672 N/A ARG 107.A NE ASP 120.A OD1 no hydrogen 3.112 N/A ARG 107.A NE ASP 120.A OD2 no hydrogen 3.017 N/A ARG 107.A NH2 GLU 119.A OE2 no hydrogen 2.991 N/A ARG 107.A NH2 ASP 120.A OD1 no hydrogen 2.700 N/A ALA 109.A N TYR 78.A O no hydrogen 2.924 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.597 N/A HIS 112.A N LEU 108.A O no hydrogen 2.934 N/A PHE 114.A N TYR 203.A O no hydrogen 2.867 N/A ALA 116.A N PRO 113.A O no hydrogen 3.005 N/A GLU 119.A N PRO 115.A O no hydrogen 2.963 N/A ASP 120.A N ALA 116.A O no hydrogen 2.881 N/A GLY 121.A N ALA 117.A O no hydrogen 2.927 N/A VAL 122.A N VAL 118.A O no hydrogen 2.823 N/A ALA 123.A N GLU 119.A O no hydrogen 2.961 N/A ALA 124.A N ASP 120.A O no hydrogen 2.852 N/A TYR 125.A N GLY 121.A O no hydrogen 3.022 N/A TYR 125.A OH PRO 163.A O no hydrogen 2.702 N/A ARG 126.A N VAL 122.A O no hydrogen 2.809 N/A TRP 127.A N ALA 123.A O no hydrogen 2.648 N/A LEU 128.A N ALA 124.A O no hydrogen 3.085 N/A LEU 129.A N TYR 125.A O no hydrogen 3.151 N/A ASP 130.A N ARG 126.A O no hydrogen 2.713 N/A GLN 131.A N LEU 128.A O no hydrogen 2.901 N/A GLY 132.A N LEU 129.A O no hydrogen 3.005 N/A PHE 133.A N LEU 128.A O no hydrogen 3.252 N/A HIS 137.A N LYS 134.A O no hydrogen 2.698 N/A LEU 138.A N PRO 135.A O no hydrogen 3.180 N/A SER 139.A N ALA 69.A O no hydrogen 3.262 N/A SER 139.A OG SER 167.A OG no hydrogen 2.800 N/A ILE 140.A N SER 167.A O no hydrogen 3.238 N/A SER 141.A N LEU 71.A O no hydrogen 2.936 N/A SER 141.A OG ILE 169.A O no hydrogen 2.725 N/A GLY 142.A N ILE 169.A O no hydrogen 3.367 N/A SER 144.A N ILE 171.A O no hydrogen 2.854 N/A SER 144.A OG HIS 265.A NE2 no hydrogen 2.597 N/A GLY 148.A N SER 144.A O no hydrogen 3.102 N/A LEU 149.A N ALA 145.A O no hydrogen 2.824 N/A VAL 150.A N GLY 146.A O no hydrogen 2.742 N/A ALA 152.A N GLY 148.A O no hydrogen 2.875 N/A VAL 153.A N LEU 149.A O no hydrogen 2.682 N/A LEU 154.A N VAL 150.A O no hydrogen 2.948 N/A VAL 155.A N LEU 151.A O no hydrogen 2.957 N/A SER 156.A N ALA 152.A O no hydrogen 2.835 N/A ALA 157.A N VAL 153.A O no hydrogen 2.819 N/A ARG 158.A N LEU 154.A O no hydrogen 2.672 N/A ARG 158.A NE ASP 159.A OD1 no hydrogen 3.455 N/A ARG 158.A NH1 ASN 220.A O no hydrogen 2.476 N/A ARG 158.A NH1 LYS 222.A O no hydrogen 2.843 N/A ARG 158.A NH2 ASP 159.A OD1 no hydrogen 2.831 N/A ARG 158.A NH2 ASN 220.A O no hydrogen 3.169 N/A ASP 159.A N VAL 155.A O no hydrogen 2.860 N/A GLN 160.A N SER 156.A O no hydrogen 3.049 N/A GLN 160.A NE2 SER 156.A O no hydrogen 3.558 N/A GLN 160.A NE2 SER 156.A OG no hydrogen 3.269 N/A GLY 161.A N ARG 158.A O no hydrogen 2.922 N/A LEU 162.A N ALA 157.A O no hydrogen 3.001 N/A ALA 166.A N LEU 138.A O no hydrogen 2.856 N/A SER 167.A OG SER 139.A OG no hydrogen 2.800 N/A ALA 168.A N PRO 226.A O no hydrogen 2.988 N/A ILE 169.A N ILE 140.A O no hydrogen 2.864 N/A ILE 171.A N GLY 142.A O no hydrogen 2.866 N/A SER 172.A N HIS 230.A O no hydrogen 2.637 N/A SER 172.A OG GLU 235.A OE1 no hydrogen 3.412 N/A SER 172.A OG GLU 235.A OE2 no hydrogen 2.600 N/A TRP 174.A N SER 144.A O no hydrogen 2.770 N/A ALA 175.A N ASP 240.A OD1 no hydrogen 2.897 N/A MET 177.A N SER 215.A OG no hydrogen 2.792 N/A THR 178.A N ASP 176.A OD1 no hydrogen 3.005 N/A THR 178.A OG1 ASP 176.A OD1 no hydrogen 2.600 N/A THR 178.A OG1 THR 180.A OG1 no hydrogen 2.910 N/A CYS 179.A SG ASP 176.A O no hydrogen 3.950 N/A THR 180.A OG1 THR 178.A OG1 no hydrogen 2.910 N/A SER 183.A N ASP 239.A OD2 no hydrogen 2.680 N/A SER 183.A OG VAL 236.A O no hydrogen 2.388 N/A PHE 184.A N ASN 181.A O no hydrogen 3.260 N/A LYS 185.A N ASP 182.A O no hydrogen 2.797 N/A THR 186.A N ASP 182.A O no hydrogen 2.849 N/A ARG 187.A N SER 183.A O no hydrogen 2.995 N/A ALA 188.A N LYS 185.A O no hydrogen 3.436 N/A ASP 191.A N ALA 188.A O no hydrogen 3.419 N/A MET 193.A N ASP 191.A OD1 no hydrogen 2.845 N/A ASN 197.A N GLY 194.A O no hydrogen 3.146 N/A LYS 198.A N GLY 194.A O no hydrogen 3.202 N/A LYS 198.A N GLY 195.A O no hydrogen 3.234 N/A ALA 200.A N ILE 196.A O no hydrogen 3.261 N/A ALA 201.A N ASN 197.A O no hydrogen 2.948 N/A ARG 202.A N LYS 198.A O no hydrogen 2.709 N/A TYR 203.A N MET 199.A O no hydrogen 2.794 N/A LEU 204.A N ALA 200.A O no hydrogen 2.826 N/A ASN 205.A N ALA 201.A O no hydrogen 3.037 N/A ALA 207.A N LEU 204.A O no hydrogen 3.070 N/A LYS 210.A N ASP 208.A OD1 no hydrogen 2.833 N/A HIS 211.A N ASP 208.A O no hydrogen 2.744 N/A TYR 213.A N HIS 211.A ND1 no hydrogen 2.851 N/A TYR 213.A OH ASP 159.A OD2 no hydrogen 2.360 N/A ALA 214.A N HIS 211.A O no hydrogen 2.905 N/A SER 215.A N HIS 211.A O no hydrogen 2.673 N/A SER 215.A OG ALA 209.A O no hydrogen 2.527 N/A ASN 217.A N ALA 175.A O no hydrogen 2.992 N/A ASN 217.A ND2 ASP 240.A O no hydrogen 3.056 N/A PHE 218.A N SER 215.A O no hydrogen 2.963 N/A ALA 219.A N PRO 216.A O no hydrogen 3.214 N/A LEU 221.A N ASP 251.A OD2 no hydrogen 2.688 N/A LEU 224.A N LEU 221.A O no hydrogen 3.105 N/A LEU 227.A N LYS 254.A O no hydrogen 2.793 N/A LEU 228.A N ALA 168.A O no hydrogen 3.086 N/A ILE 229.A N THR 256.A O no hydrogen 2.850 N/A HIS 230.A N PRO 170.A O no hydrogen 3.026 N/A VAL 231.A N GLU 258.A O no hydrogen 3.421 N/A GLY 232.A N GLU 235.A OE2 no hydrogen 2.745 N/A ARG 233.A N TRP 260.A O no hydrogen 2.824 N/A ARG 233.A NE ASP 261.A OD2 no hydrogen 2.636 N/A ASP 234.A N MET 263.A O no hydrogen 2.928 N/A VAL 236.A N ASP 191.A OD2 no hydrogen 2.625 N/A LEU 238.A N GLU 235.A O no hydrogen 3.110 N/A ASP 239.A N SER 183.A OG no hydrogen 3.008 N/A SER 241.A N LEU 237.A O no hydrogen 3.429 N/A ILE 242.A N LEU 238.A O no hydrogen 2.964 N/A LYS 243.A N ASP 239.A O no hydrogen 2.746 N/A LEU 244.A N ASP 240.A O no hydrogen 2.831 N/A ASP 245.A N SER 241.A O no hydrogen 3.103 N/A ASP 245.A N ILE 242.A O no hydrogen 3.196 N/A ALA 246.A N ILE 242.A O no hydrogen 3.261 N/A LYS 247.A N LYS 243.A O no hydrogen 2.920 N/A LYS 247.A NZ ALA 219.A O no hydrogen 2.990 N/A LYS 247.A NZ ASP 251.A OD2 no hydrogen 3.045 N/A ALA 248.A N LEU 244.A O no hydrogen 2.986 N/A LYS 249.A N ASP 245.A O no hydrogen 2.832 N/A LYS 249.A NZ ASP 245.A OD2 no hydrogen 2.433 N/A ALA 250.A N ALA 246.A O no hydrogen 2.905 N/A ASP 251.A N LYS 247.A O no hydrogen 2.776 N/A GLY 252.A N LYS 249.A O no hydrogen 3.013 N/A VAL 253.A N ALA 248.A O no hydrogen 2.794 N/A SER 255.A OG ASP 245.A OD1 no hydrogen 2.725 N/A THR 256.A N LEU 227.A O no hydrogen 2.847 N/A GLU 258.A N ILE 229.A O no hydrogen 2.943 N/A TRP 260.A N VAL 231.A O no hydrogen 2.911 N/A TRP 260.A NE1 GLU 258.A OE1 no hydrogen 3.115 N/A MET 263.A N TRP 260.A O no hydrogen 3.311 N/A HIS 265.A ND1 GLU 235.A OE1 no hydrogen 2.882 N/A HIS 265.A NE2 SER 144.A OG no hydrogen 2.597 N/A VAL 266.A N SER 172.A OG no hydrogen 3.134 N/A TRP 267.A NE1 GLU 276.A O no hydrogen 3.038 N/A ALA 269.A N VAL 266.A O no hydrogen 2.821 N/A PHE 270.A N TRP 267.A O no hydrogen 2.868 N/A HIS 271.A N HIS 268.A O no hydrogen 2.897 N/A HIS 271.A NE2 SER 88.A OG no hydrogen 2.979 N/A MET 273.A N PHE 270.A O no hydrogen 3.067 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.725 N/A GLY 277.A N LEU 274.A O no hydrogen 3.017 N/A LYS 278.A N LEU 274.A O no hydrogen 3.361 N/A LYS 278.A NZ HIS 271.A O no hydrogen 3.149 N/A GLN 279.A N PRO 275.A O no hydrogen 2.871 N/A ALA 280.A N GLU 276.A O no hydrogen 2.936 N/A ILE 281.A N GLY 277.A O no hydrogen 3.017 N/A VAL 282.A N LYS 278.A O no hydrogen 2.773 N/A ARG 283.A N GLN 279.A O no hydrogen 3.021 N/A ARG 283.A NE GLU 258.A OE2 no hydrogen 2.871 N/A ARG 283.A NH2 GLU 258.A OE2 no hydrogen 3.132 N/A VAL 284.A N ALA 280.A O no hydrogen 2.956 N/A GLY 285.A N ILE 281.A O no hydrogen 3.049 N/A GLU 286.A N VAL 282.A O no hydrogen 2.893 N/A PHE 287.A N ARG 283.A O no hydrogen 2.937 N/A MET 288.A N VAL 284.A O no hydrogen 2.966 N/A ARG 289.A N GLY 285.A O no hydrogen 2.917 N/A ARG 289.A NE ALA 96.A O no hydrogen 3.032 N/A ARG 289.A NH2 ALA 96.A O no hydrogen 3.296 N/A GLU 290.A N GLU 286.A O no hydrogen 2.727 N/A GLN 291.A N PHE 287.A O no hydrogen 3.053 N/A TRP 292.A N MET 288.A O no hydrogen 3.127 N/A TRP 292.A NE1 LEU 138.A O no hydrogen 3.274 N/A ALA 293.A N ARG 289.A O no hydrogen 2.940 N/A ALA 293.A N GLU 290.A O no hydrogen 3.178 N/A ALA 294.A N GLU 290.A O no hydrogen 3.134 N/A