Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5c3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 8.A N ILE 15.A O no hydrogen 3.153 N/A GLU 10.A N LEU 13.A O no hydrogen 2.927 N/A LEU 13.A N GLU 10.A O no hydrogen 2.790 N/A ILE 15.A N VAL 8.A O no hydrogen 2.837 N/A ILE 18.A N TYR 49.A O no hydrogen 2.868 N/A PHE 20.A N LYS 51.A O no hydrogen 2.868 N/A SER 21.A N ASP 19.A OD1 no hydrogen 3.092 N/A SER 21.A OG ASP 19.A OD1 no hydrogen 2.563 N/A LYS 22.A N ASP 19.A O no hydrogen 3.126 N/A PHE 23.A N PHE 20.A O no hydrogen 2.983 N/A LEU 24.A N PHE 20.A O no hydrogen 3.078 N/A GLU 25.A N SER 21.A O no hydrogen 2.670 N/A GLY 26.A N LYS 22.A O no hydrogen 3.195 N/A LEU 30.A N ASP 27.A OD1 no hydrogen 2.912 N/A LYS 31.A N ASP 27.A O no hydrogen 2.895 N/A LYS 31.A NZ PHE 23.A O no hydrogen 3.287 N/A LEU 32.A N GLU 28.A O no hydrogen 3.049 N/A GLU 33.A N THR 29.A O no hydrogen 2.953 N/A THR 34.A N LEU 30.A O no hydrogen 2.913 N/A THR 34.A OG1 LEU 30.A O no hydrogen 2.739 N/A ALA 35.A N LYS 31.A O no hydrogen 2.958 N/A LYS 36.A N LEU 32.A O no hydrogen 2.984 N/A ALA 37.A N GLU 33.A O no hydrogen 3.062 N/A ILE 38.A N THR 34.A O no hydrogen 2.948 N/A LEU 39.A N ALA 35.A O no hydrogen 2.947 N/A HIS 40.A N LYS 36.A O no hydrogen 2.964 N/A GLY 41.A N ALA 37.A O no hydrogen 3.064 N/A PHE 42.A N ILE 38.A O no hydrogen 3.172 N/A GLN 43.A N LEU 39.A O no hydrogen 2.841 N/A THR 44.A N GLY 41.A O no hydrogen 3.400 N/A THR 44.A OG1 HIS 40.A O no hydrogen 2.654 N/A THR 44.A OG1 GLY 41.A O no hydrogen 3.438 N/A ALA 45.A N GLY 41.A O no hydrogen 2.986 N/A GLY 46.A N GLY 41.A O no hydrogen 3.047 N/A ILE 48.A N VAL 254.A O no hydrogen 2.812 N/A TYR 49.A N PRO 16.A O no hydrogen 2.875 N/A TYR 49.A OH THR 246.A O no hydrogen 2.534 N/A LEU 50.A N VAL 252.A O no hydrogen 2.883 N/A LYS 51.A N ILE 18.A O no hydrogen 2.876 N/A ASN 52.A ND2 ASP 19.A OD1 no hydrogen 3.280 N/A ASN 52.A ND2 ASP 19.A OD2 no hydrogen 2.816 N/A ARG 60.A N GLN 56.A O no hydrogen 3.022 N/A ARG 60.A NH2 THR 251.A O no hydrogen 2.666 N/A GLU 61.A N PRO 57.A O no hydrogen 2.923 N/A HIS 62.A N ASP 58.A O no hydrogen 3.056 N/A HIS 62.A NE2 THR 150.A OG1 no hydrogen 3.139 N/A VAL 63.A N PHE 59.A O no hydrogen 2.800 N/A PHE 64.A N ARG 60.A O no hydrogen 3.028 N/A ASN 65.A N GLU 61.A O no hydrogen 2.973 N/A THR 66.A N HIS 62.A O no hydrogen 2.865 N/A THR 66.A OG1 HIS 62.A O no hydrogen 2.700 N/A SER 67.A N VAL 63.A O no hydrogen 2.863 N/A ALA 68.A N PHE 64.A O no hydrogen 2.936 N/A LYS 69.A N ASN 65.A O no hydrogen 3.177 N/A PHE 70.A N THR 66.A O no hydrogen 3.254 N/A PHE 71.A N SER 67.A O no hydrogen 3.220 N/A LYS 72.A N ALA 68.A O no hydrogen 3.180 N/A LEU 73.A N PHE 70.A O no hydrogen 3.078 N/A LYS 77.A N PRO 74.A O no hydrogen 3.028 N/A LYS 78.A N PRO 74.A O no hydrogen 3.330 N/A LYS 78.A NZ PHE 71.A O no hydrogen 2.578 N/A LYS 78.A NZ LEU 73.A O no hydrogen 3.348 N/A LYS 78.A NZ GLU 121.A OE1 no hydrogen 3.202 N/A LEU 79.A N LYS 75.A O no hydrogen 3.130 N/A GLU 80.A N GLU 76.A O no hydrogen 3.230 N/A VAL 81.A N LYS 78.A O no hydrogen 3.188 N/A TRP 83.A N TYR 92.A O no hydrogen 2.697 N/A TRP 83.A NE1 ASN 89.A OD1 no hydrogen 3.155 N/A THR 85.A OG1 GLU 87.A OE1 no hydrogen 3.477 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.896 N/A ALA 88.A N THR 85.A O no hydrogen 3.201 N/A ALA 88.A N THR 85.A OG1 no hydrogen 3.345 N/A ASN 89.A N THR 85.A O no hydrogen 2.829 N/A ARG 90.A NE ASN 135.A OD1 no hydrogen 3.118 N/A ARG 90.A NH1 ALA 88.A O no hydrogen 2.809 N/A ARG 90.A NH1 GLU 130.A OE1 no hydrogen 3.032 N/A ARG 90.A NH2 ARG 127.A O no hydrogen 3.086 N/A ARG 90.A NH2 GLU 130.A OE1 no hydrogen 2.783 N/A GLY 91.A N GLU 124.A O no hydrogen 2.907 N/A TYR 92.A N VAL 81.A O no hydrogen 2.751 N/A TYR 92.A OH GLU 121.A OE1 no hydrogen 2.441 N/A SER 93.A N SER 122.A O no hydrogen 2.925 N/A ARG 97.A NH2 ARG 113.A O no hydrogen 3.108 N/A THR 101.A N THR 104.A OG1 no hydrogen 2.692 N/A THR 104.A N THR 101.A O no hydrogen 3.154 N/A THR 104.A OG1 THR 101.A O no hydrogen 3.142 N/A GLU 108.A N ASP 105.A O no hydrogen 2.987 N/A ILE 109.A N PRO 106.A O no hydrogen 3.349 N/A ILE 112.A N GLU 108.A O no hydrogen 2.941 N/A ARG 113.A N ILE 109.A O no hydrogen 2.920 N/A SER 114.A N GLU 110.A O no hydrogen 3.037 N/A SER 114.A N LYS 111.A O no hydrogen 3.207 N/A SER 114.A OG GLU 110.A O no hydrogen 2.702 N/A SER 114.A OG LYS 111.A O no hydrogen 3.179 N/A ILE 119.A N VAL 211.A O no hydrogen 3.429 N/A GLU 121.A N HIS 195.A O no hydrogen 2.916 N/A SER 122.A N SER 93.A O no hydrogen 2.836 N/A TYR 123.A N LEU 193.A O no hydrogen 2.995 N/A TYR 123.A OH PRO 136.A O no hydrogen 2.610 N/A GLU 124.A N GLY 91.A O no hydrogen 3.000 N/A ILE 125.A N LEU 191.A O no hydrogen 2.780 N/A GLY 126.A N ASN 135.A OD1 no hydrogen 2.885 N/A ARG 127.A NE ASP 188.A OD1 no hydrogen 2.973 N/A ARG 127.A NH1 ASP 129.A OD1 no hydrogen 3.012 N/A ARG 127.A NH2 ASP 188.A OD1 no hydrogen 3.375 N/A HIS 133.A N GLU 130.A O no hydrogen 3.208 N/A ASN 135.A ND2 GLY 126.A O no hydrogen 2.859 N/A ASN 135.A ND2 GLU 128.A OE1 no hydrogen 3.062 N/A TRP 137.A N ASN 135.A O no hydrogen 3.003 N/A TRP 137.A NE1 GLU 128.A OE1 no hydrogen 2.783 N/A GLN 141.A N ALA 139.A O no hydrogen 2.909 N/A LEU 144.A N GLN 141.A O no hydrogen 3.223 N/A VAL 145.A N ASP 142.A O no hydrogen 3.153 N/A GLY 146.A N GLU 140.A OE1 no hydrogen 2.700 N/A PHE 147.A N LEU 144.A O no hydrogen 3.055 N/A LYS 148.A N GLU 140.A OE2 no hydrogen 2.882 N/A SER 149.A OG GLY 146.A O no hydrogen 3.088 N/A THR 150.A N GLY 146.A O no hydrogen 3.101 N/A THR 150.A OG1 HIS 62.A NE2 no hydrogen 3.139 N/A THR 150.A OG1 GLY 146.A O no hydrogen 2.950 N/A MET 151.A N PHE 147.A O no hydrogen 3.058 N/A ASN 152.A N LYS 148.A O no hydrogen 2.869 N/A ASN 152.A ND2 GLU 128.A OE2 no hydrogen 3.267 N/A ASN 153.A N SER 149.A O no hydrogen 2.981 N/A PHE 154.A N THR 150.A O no hydrogen 2.906 N/A PHE 155.A N MET 151.A O no hydrogen 2.883 N/A ASP 156.A N ASN 152.A O no hydrogen 3.075 N/A GLN 157.A N ASN 153.A O no hydrogen 3.028 N/A GLN 157.A NE2 ASN 153.A OD1 no hydrogen 2.708 N/A CYS 158.A N PHE 154.A O no hydrogen 2.910 N/A CYS 158.A SG PHE 154.A O no hydrogen 3.558 N/A LYS 159.A N PHE 155.A O no hydrogen 2.856 N/A ALA 160.A N ASP 156.A O no hydrogen 2.990 N/A LEU 161.A N GLN 157.A O no hydrogen 3.079 N/A HIS 162.A N CYS 158.A O no hydrogen 2.800 N/A ILE 163.A N LYS 159.A O no hydrogen 3.199 N/A GLU 164.A N ALA 160.A O no hydrogen 3.070 N/A VAL 165.A N LEU 161.A O no hydrogen 2.843 N/A MET 166.A N HIS 162.A O no hydrogen 3.013 N/A ARG 167.A N ILE 163.A O no hydrogen 3.082 N/A ARG 167.A NE ASP 181.A OD1 no hydrogen 3.236 N/A ARG 167.A NH2 ASP 181.A OD2 no hydrogen 3.044 N/A ALA 168.A N GLU 164.A O no hydrogen 3.038 N/A ILE 169.A N VAL 165.A O no hydrogen 3.020 N/A ALA 170.A N MET 166.A O no hydrogen 2.900 N/A VAL 171.A N ARG 167.A O no hydrogen 2.831 N/A GLY 172.A N ALA 168.A O no hydrogen 2.873 N/A MET 173.A N ILE 169.A O no hydrogen 2.942 N/A GLY 174.A N VAL 171.A O no hydrogen 3.005 N/A ILE 175.A N ALA 170.A O no hydrogen 3.094 N/A ASN 178.A N ASP 176.A OD1 no hydrogen 2.697 N/A ASN 178.A ND2 ASP 181.A OD2 no hydrogen 2.885 N/A TYR 179.A N ASP 176.A O no hydrogen 2.935 N/A ASP 181.A N ASN 178.A O no hydrogen 3.037 N/A PHE 183.A N PHE 180.A O no hydrogen 2.827 N/A VAL 184.A N ASP 181.A O no hydrogen 3.171 N/A VAL 186.A N ASN 298.A OD1 no hydrogen 2.979 N/A GLY 187.A N VAL 184.A O no hydrogen 3.369 N/A ASN 189.A N GLY 187.A O no hydrogen 2.711 N/A ASN 189.A ND2 TYR 293.A OH no hydrogen 2.914 N/A ILE 190.A N PHE 294.A O no hydrogen 2.875 N/A LEU 191.A N ILE 125.A O no hydrogen 2.743 N/A ARG 192.A N ALA 292.A O no hydrogen 2.791 N/A ARG 192.A NE GLU 124.A OE1 no hydrogen 2.852 N/A ARG 192.A NH2 GLU 124.A OE1 no hydrogen 3.332 N/A LEU 193.A N TYR 123.A O no hydrogen 2.804 N/A LEU 194.A N SER 290.A O no hydrogen 2.954 N/A HIS 195.A N GLU 121.A O no hydrogen 3.070 N/A HIS 195.A ND1 GLU 121.A OE2 no hydrogen 2.582 N/A TYR 196.A N ARG 288.A O no hydrogen 2.762 N/A VAL 199.A N HIS 285.A O no hydrogen 3.016 N/A SER 201.A N ASP 283.A O no hydrogen 2.872 N/A SER 201.A OG GLU 277.A OE1 no hydrogen 2.838 N/A SER 201.A OG GLU 282.A O no hydrogen 3.393 N/A SER 201.A OG HIS 285.A NE2 no hydrogen 2.883 N/A VAL 203.A N LYS 200.A O no hydrogen 3.142 N/A PHE 204.A N SER 201.A O no hydrogen 3.188 N/A LYS 205.A N GLU 202.A O no hydrogen 2.756 N/A ILE 206.A N GLU 202.A O no hydrogen 2.837 N/A ASN 207.A N VAL 203.A O no hydrogen 2.890 N/A ASN 207.A ND2 GLN 210.A OE1 no hydrogen 3.002 N/A GLN 210.A N ASN 207.A O no hydrogen 2.945 N/A GLN 210.A NE2 PRO 117.A O no hydrogen 2.910 N/A GLN 210.A NE2 VAL 211.A O no hydrogen 3.410 N/A ARG 212.A N VAL 275.A O no hydrogen 2.990 N/A ARG 212.A NH2 PRO 197.A O no hydrogen 3.171 N/A ARG 212.A NH2 PRO 286.A O no hydrogen 2.982 N/A ALA 213.A N VAL 275.A O no hydrogen 2.997 N/A GLY 214.A N ASP 118.A OD2 no hydrogen 2.676 N/A HIS 216.A N HIS 273.A O no hydrogen 3.151 N/A HIS 216.A ND1 GLY 214.A O no hydrogen 2.827 N/A THR 217.A OG1 ASP 258.A OD1 no hydrogen 3.184 N/A THR 217.A OG1 ASP 258.A OD2 no hydrogen 2.539 N/A SER 221.A N CYS 295.A O no hydrogen 2.860 N/A SER 221.A OG HIS 162.A NE2 no hydrogen 2.957 N/A THR 223.A N ASN 255.A O no hydrogen 2.848 N/A THR 223.A OG1 ASP 218.A OD2 no hydrogen 2.694 N/A LEU 224.A N TYR 293.A O no hydrogen 2.948 N/A LEU 225.A N VAL 253.A O no hydrogen 2.696 N/A PHE 226.A N ILE 291.A O no hydrogen 2.925 N/A GLN 227.A NE2 ALA 245.A O no hydrogen 3.261 N/A ASP 228.A N TYR 289.A O no hydrogen 3.177 N/A ARG 230.A N ASP 228.A OD1 no hydrogen 3.070 N/A ARG 230.A NE PRO 287.A O no hydrogen 3.119 N/A GLN 234.A N ARG 274.A O no hydrogen 2.807 N/A GLN 234.A NE2 ASP 244.A OD1 no hydrogen 2.894 N/A VAL 235.A N ILE 243.A O no hydrogen 2.831 N/A LYS 236.A N VAL 272.A O no hydrogen 2.907 N/A SER 237.A N GLN 241.A O no hydrogen 2.784 N/A SER 237.A OG ASP 11.A O no hydrogen 3.433 N/A SER 237.A OG ASP 11.A OD2 no hydrogen 2.617 N/A SER 237.A OG GLN 241.A O no hydrogen 3.284 N/A ASN 239.A N SER 237.A OG no hydrogen 3.145 N/A ASN 239.A ND2 ASP 11.A O no hydrogen 2.711 N/A GLY 240.A N SER 237.A O no hydrogen 2.954 N/A GLN 241.A N SER 237.A OG no hydrogen 3.269 N/A ILE 243.A N VAL 235.A O no hydrogen 2.795 N/A ALA 245.A N LEU 233.A O no hydrogen 2.857 N/A THR 251.A N ILE 248.A O no hydrogen 3.203 N/A THR 251.A OG1 ILE 248.A O no hydrogen 2.630 N/A VAL 252.A N LEU 50.A O no hydrogen 2.991 N/A VAL 253.A N LEU 225.A O no hydrogen 2.843 N/A VAL 254.A N ILE 48.A O no hydrogen 2.770 N/A ASN 255.A N THR 223.A O no hydrogen 3.149 N/A ASN 255.A ND2 ASP 218.A OD2 no hydrogen 3.101 N/A ASN 255.A ND2 ALA 256.A O no hydrogen 3.539 N/A ALA 256.A N GLY 46.A O no hydrogen 3.088 N/A GLY 257.A N SER 221.A O no hydrogen 2.808 N/A ASP 258.A N ASP 218.A O no hydrogen 2.855 N/A LEU 259.A N TYR 219.A O no hydrogen 2.995 N/A LEU 260.A N GLY 220.A O no hydrogen 3.265 N/A ALA 261.A N GLY 257.A O no hydrogen 2.951 N/A ARG 262.A N ASP 258.A O no hydrogen 3.021 N/A ARG 262.A NH2 GLU 319.A O no hydrogen 2.883 N/A TRP 263.A N LEU 259.A O no hydrogen 2.716 N/A SER 264.A N LEU 260.A O no hydrogen 2.820 N/A SER 264.A OG LEU 260.A O no hydrogen 3.069 N/A SER 264.A OG ALA 261.A O no hydrogen 2.839 N/A ASN 265.A N ARG 262.A O no hydrogen 2.997 N/A ASN 265.A ND2 GLU 315.A O no hydrogen 2.872 N/A ASP 266.A N ALA 261.A O no hydrogen 2.766 N/A THR 267.A N SER 264.A O no hydrogen 2.996 N/A THR 267.A OG1 SER 264.A O no hydrogen 2.783 N/A ILE 268.A N SER 264.A OG no hydrogen 2.976 N/A LYS 269.A N PHE 42.A O no hydrogen 2.886 N/A SER 270.A OG ALA 256.A O no hydrogen 3.373 N/A SER 270.A OG ASP 258.A OD1 no hydrogen 2.615 N/A THR 271.A OG1 ALA 45.A O no hydrogen 2.665 N/A HIS 273.A N HIS 216.A O no hydrogen 3.095 N/A HIS 273.A ND1 THR 271.A O no hydrogen 2.877 N/A ARG 274.A N GLN 234.A O no hydrogen 2.964 N/A ARG 274.A NE GLN 234.A OE1 no hydrogen 2.851 N/A ARG 274.A NH2 GLN 234.A OE1 no hydrogen 2.719 N/A VAL 275.A N ALA 213.A O no hydrogen 3.006 N/A VAL 276.A N GLY 232.A O no hydrogen 2.894 N/A HIS 285.A N VAL 199.A O no hydrogen 2.862 N/A HIS 285.A ND1 GLU 282.A OE2 no hydrogen 3.009 N/A HIS 285.A NE2 SER 201.A OG no hydrogen 2.883 N/A HIS 285.A NE2 GLU 277.A OE1 no hydrogen 2.917 N/A ARG 288.A N TYR 196.A O no hydrogen 2.828 N/A ARG 288.A NH2 GLN 227.A OE1 no hydrogen 3.251 N/A TYR 289.A N ASP 228.A OD2 no hydrogen 2.701 N/A SER 290.A N LEU 194.A O no hydrogen 3.308 N/A ILE 291.A N PHE 226.A O no hydrogen 2.836 N/A ALA 292.A N ARG 192.A O no hydrogen 2.937 N/A TYR 293.A N LEU 224.A O no hydrogen 2.905 N/A TYR 293.A OH PHE 155.A O no hydrogen 3.067 N/A PHE 294.A N ILE 190.A O no hydrogen 2.790 N/A CYS 295.A N ILE 222.A O no hydrogen 2.755 N/A CYS 295.A SG TYR 293.A O no hydrogen 3.777 N/A ASN 296.A N ASN 189.A OD1 no hydrogen 2.954 N/A ASN 296.A ND2 ASP 188.A O no hydrogen 2.970 N/A ASN 298.A N PHE 183.A O no hydrogen 2.666 N/A ASN 298.A ND2 ASP 185.A OD1 no hydrogen 3.226 N/A HIS 299.A N ASP 188.A OD2 no hydrogen 2.858 N/A SER 301.A N ASN 298.A O no hydrogen 2.863 N/A SER 301.A OG PHE 183.A O no hydrogen 3.308 N/A SER 301.A OG ASN 298.A O no hydrogen 3.138 N/A ILE 303.A N ILE 321.A O no hydrogen 2.667 N/A ILE 306.A N TRP 263.A O no hydrogen 3.048 N/A THR 309.A N ILE 306.A O no hydrogen 3.319 N/A THR 309.A OG1 ILE 306.A O no hydrogen 2.674 N/A TYR 310.A OH GLU 313.A OE1 no hydrogen 3.411 N/A ALA 311.A N GLU 315.A OE1 no hydrogen 2.870 N/A ALA 312.A N GLU 315.A OE2 no hydrogen 3.124 N/A GLU 315.A N ALA 312.A O no hydrogen 3.019 N/A ARG 316.A N GLU 313.A O no hydrogen 2.974 N/A ARG 316.A NE GLU 313.A OE2 no hydrogen 2.940 N/A ARG 316.A NH2 GLU 313.A OE1 no hydrogen 3.176 N/A ARG 316.A NH2 GLU 313.A OE2 no hydrogen 3.210 N/A LYS 317.A N ASN 265.A OD1 no hydrogen 2.865 N/A LYS 317.A NZ ASP 266.A OD2 no hydrogen 2.800 N/A TYR 318.A OH ASP 266.A OD2 no hydrogen 2.477 N/A ILE 321.A N ILE 303.A O no hydrogen 3.139 N/A ASN 322.A ND2 HIS 299.A O no hydrogen 2.913 N/A SER 323.A N SER 301.A O no hydrogen 2.794 N/A GLY 324.A N HIS 299.A O no hydrogen 2.969 N/A LYS 325.A N ASN 322.A OD1 no hydrogen 2.794 N/A LYS 325.A NZ GLN 329.A OE1 no hydrogen 2.766 N/A TYR 326.A N ASN 322.A O no hydrogen 3.196 N/A LEU 327.A N SER 323.A O no hydrogen 3.208 N/A VAL 328.A N GLY 324.A O no hydrogen 3.155 N/A GLN 329.A N LYS 325.A O no hydrogen 3.169 N/A ARG 330.A N TYR 326.A O no hydrogen 3.060 N/A ARG 330.A NH1 ASP 258.A OD2 no hydrogen 2.741 N/A ARG 330.A NH1 TYR 326.A OH no hydrogen 2.821 N/A ARG 330.A NH2 ASP 258.A OD2 no hydrogen 3.167 N/A LEU 331.A N LEU 327.A O no hydrogen 2.846 N/A ALA 332.A N VAL 328.A O no hydrogen 2.774 N/A ALA 333.A N GLN 329.A O no hydrogen 3.218 N/A