Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4crl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 8.A N ASP 5.A OD2 no hydrogen 2.830 N/A LYS 9.A N ASP 5.A O no hydrogen 2.852 N/A VAL 10.A N TYR 6.A O no hydrogen 2.908 N/A LYS 11.A N ASP 7.A O no hydrogen 2.994 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 3.072 N/A LEU 12.A N PHE 8.A O no hydrogen 3.049 N/A SER 13.A N LYS 9.A O no hydrogen 2.935 N/A SER 14.A N VAL 10.A O no hydrogen 3.010 N/A GLU 15.A N LYS 11.A O no hydrogen 3.163 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.912 N/A ASP 21.A N ARG 18.A O no hydrogen 3.231 N/A LEU 22.A N ARG 18.A O no hydrogen 3.229 N/A PHE 23.A N VAL 19.A O no hydrogen 2.956 N/A GLU 24.A N LYS 42.A O no hydrogen 2.756 N/A CYS 28.A N TYR 25.A O no hydrogen 3.077 N/A CYS 28.A SG GLU 26.A O no hydrogen 3.550 N/A LYS 29.A NZ HIS 37.A ND1 no hydrogen 3.467 N/A VAL 30.A N VAL 38.A O no hydrogen 2.788 N/A GLY 31.A N VAL 38.A O no hydrogen 3.078 N/A ARG 32.A NH1 GLY 36.A O no hydrogen 3.326 N/A ARG 32.A NH2 GLU 58.A OE2 no hydrogen 3.453 N/A GLY 33.A N GLY 36.A O no hydrogen 2.987 N/A GLY 36.A N GLY 33.A O no hydrogen 3.052 N/A HIS 37.A N GLN 56.A O no hydrogen 3.054 N/A VAL 38.A N GLY 31.A O no hydrogen 2.991 N/A TYR 39.A N LEU 54.A O no hydrogen 2.798 N/A LYS 40.A N CYS 28.A O no hydrogen 2.943 N/A ALA 41.A N TYR 52.A O no hydrogen 2.837 N/A LYS 42.A N GLU 24.A O no hydrogen 2.972 N/A LYS 42.A NZ ASP 49.A O no hydrogen 3.283 N/A LYS 42.A NZ ASP 51.A OD1 no hydrogen 2.689 N/A ARG 43.A NH1 ASP 48.A OD2 no hydrogen 2.941 N/A LYS 44.A N LEU 22.A O no hydrogen 2.852 N/A LYS 44.A NZ GLU 20.A O no hydrogen 2.615 N/A LYS 47.A N ASP 45.A O no hydrogen 2.760 N/A LYS 50.A N ASP 48.A OD1 no hydrogen 2.931 N/A LYS 50.A NZ TYR 52.A OH no hydrogen 3.004 N/A LYS 50.A NZ ASP 101.A OD1 no hydrogen 3.412 N/A TYR 52.A N ALA 41.A O no hydrogen 3.096 N/A TYR 52.A OH ASP 48.A OD2 no hydrogen 2.745 N/A ALA 53.A N PHE 100.A O no hydrogen 2.711 N/A LEU 54.A N TYR 39.A O no hydrogen 2.865 N/A LYS 55.A N LEU 98.A O no hydrogen 2.873 N/A LYS 55.A NZ GLU 69.A OE2 no hydrogen 2.765 N/A GLN 56.A N HIS 37.A O no hydrogen 2.725 N/A ILE 57.A N VAL 96.A O no hydrogen 2.988 N/A GLU 58.A N TYR 35.A O no hydrogen 3.163 N/A GLY 61.A N ARG 94.A O no hydrogen 2.755 N/A ALA 66.A N SER 63.A OG no hydrogen 3.300 N/A CYS 67.A N SER 63.A O no hydrogen 2.642 N/A ARG 68.A N MET 64.A O no hydrogen 2.888 N/A GLU 69.A N SER 65.A O no hydrogen 2.940 N/A ILE 70.A N ALA 66.A O no hydrogen 3.012 N/A ALA 71.A N CYS 67.A O no hydrogen 2.975 N/A LEU 72.A N ARG 68.A O no hydrogen 2.973 N/A LEU 73.A N GLU 69.A O no hydrogen 3.083 N/A ARG 74.A N ILE 70.A O no hydrogen 2.975 N/A ARG 74.A NH1 ARG 74.A O no hydrogen 3.059 N/A GLU 75.A N LEU 72.A O no hydrogen 2.907 N/A LEU 76.A N LEU 72.A O no hydrogen 2.874 N/A LYS 77.A N TYR 138.A OH no hydrogen 2.795 N/A HIS 78.A NE2 ASP 134.A OD1 no hydrogen 2.997 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 3.195 N/A ASN 80.A ND2 GLN 131.A OE1 no hydrogen 2.963 N/A ASN 80.A ND2 VAL 166.A O no hydrogen 3.189 N/A VAL 81.A N HIS 78.A O no hydrogen 3.097 N/A ILE 82.A N ILE 168.A O no hydrogen 3.058 N/A GLN 85.A N LEU 99.A O no hydrogen 2.874 N/A LYS 86.A NZ GLU 17.A OE1 no hydrogen 3.548 N/A PHE 88.A N TRP 97.A O no hydrogen 2.847 N/A SER 90.A N LYS 95.A O no hydrogen 2.975 N/A SER 90.A OG ASP 93.A OD1 no hydrogen 2.528 N/A HIS 91.A ND1 LEU 89.A O no hydrogen 3.243 N/A LYS 95.A N SER 90.A O no hydrogen 3.311 N/A LYS 95.A N ASP 93.A OD1 no hydrogen 3.356 N/A LYS 95.A NZ GLY 59.A O no hydrogen 3.168 N/A TRP 97.A N PHE 88.A O no hydrogen 2.792 N/A LEU 98.A N LYS 55.A O no hydrogen 2.777 N/A LEU 99.A N LYS 86.A O no hydrogen 2.918 N/A PHE 100.A N ALA 53.A O no hydrogen 2.757 N/A TYR 102.A N ASP 51.A O no hydrogen 3.194 N/A TYR 102.A OH GLU 104.A OE2 no hydrogen 3.064 N/A HIS 105.A N VAL 156.A O no hydrogen 2.959 N/A LEU 107.A N ILE 154.A O no hydrogen 2.935 N/A HIS 109.A N ASP 106.A OD1 no hydrogen 2.816 N/A HIS 109.A ND1 ASP 106.A OD2 no hydrogen 2.949 N/A ILE 110.A N ASP 106.A O no hydrogen 2.937 N/A ILE 111.A N LEU 107.A O no hydrogen 2.935 N/A LYS 112.A N TRP 108.A O no hydrogen 3.080 N/A PHE 113.A N HIS 109.A O no hydrogen 3.023 N/A HIS 114.A N ILE 110.A O no hydrogen 3.142 N/A HIS 114.A ND1 VAL 118.A O no hydrogen 2.727 N/A HIS 114.A NE2 TYR 333.A OH no hydrogen 2.577 N/A ARG 115.A N ILE 111.A O no hydrogen 2.805 N/A ALA 116.A N LYS 112.A O no hydrogen 3.014 N/A SER 117.A N HIS 114.A O no hydrogen 3.101 N/A ARG 122.A NH1 LEU 120.A O no hydrogen 2.937 N/A ARG 122.A NH1 LEU 215.A O no hydrogen 3.542 N/A ARG 122.A NH2 LEU 215.A O no hydrogen 2.837 N/A VAL 125.A N PRO 121.A O no hydrogen 3.127 N/A LYS 126.A N ARG 122.A O no hydrogen 3.209 N/A LYS 126.A NZ TYR 314.A O no hydrogen 2.783 N/A LYS 126.A NZ PRO 319.A O no hydrogen 2.704 N/A SER 127.A N GLY 123.A O no hydrogen 3.190 N/A SER 127.A OG GLY 123.A O no hydrogen 2.980 N/A LEU 128.A N MET 124.A O no hydrogen 2.896 N/A LEU 129.A N VAL 125.A O no hydrogen 2.992 N/A TYR 130.A N LYS 126.A O no hydrogen 2.837 N/A GLN 131.A N SER 127.A O no hydrogen 3.012 N/A GLN 131.A NE2 THR 322.A O no hydrogen 3.154 N/A GLN 131.A NE2 SER 323.A O no hydrogen 3.026 N/A ILE 132.A N LEU 128.A O no hydrogen 2.914 N/A LEU 133.A N LEU 129.A O no hydrogen 2.947 N/A ASP 134.A N TYR 130.A O no hydrogen 2.899 N/A GLY 135.A N GLN 131.A O no hydrogen 2.958 N/A ILE 136.A N ILE 132.A O no hydrogen 2.975 N/A HIS 137.A N LEU 133.A O no hydrogen 2.971 N/A TYR 138.A N ASP 134.A O no hydrogen 3.144 N/A LEU 139.A N GLY 135.A O no hydrogen 3.185 N/A HIS 140.A N ILE 136.A O no hydrogen 2.830 N/A HIS 140.A NE2 ASP 203.A OD2 no hydrogen 2.927 N/A ALA 141.A N HIS 137.A O no hydrogen 2.770 N/A ASN 142.A N TYR 138.A O no hydrogen 3.317 N/A ASN 142.A N LEU 139.A O no hydrogen 3.065 N/A ASN 142.A ND2 TYR 138.A O no hydrogen 2.950 N/A TRP 143.A N HIS 140.A O no hydrogen 2.937 N/A VAL 144.A N LEU 139.A O no hydrogen 2.823 N/A HIS 146.A N ASP 203.A OD2 no hydrogen 2.874 N/A HIS 146.A NE2 ALA 169.A O no hydrogen 2.800 N/A ARG 147.A N ASP 203.A OD1 no hydrogen 2.985 N/A ARG 147.A NH1 GLY 172.A O no hydrogen 3.517 N/A ASN 153.A N LYS 150.A O no hydrogen 3.006 N/A ASN 153.A ND2 ASP 148.A O no hydrogen 3.018 N/A ILE 154.A N PRO 151.A O no hydrogen 2.999 N/A LEU 155.A N LYS 167.A O no hydrogen 2.912 N/A VAL 156.A N HIS 105.A O no hydrogen 2.805 N/A MET 157.A N ARG 165.A O no hydrogen 3.021 N/A ARG 163.A N GLY 160.A O no hydrogen 3.362 N/A ARG 163.A NE GLU 159.A OE1 no hydrogen 3.038 N/A ARG 163.A NE GLU 159.A OE2 no hydrogen 3.156 N/A ARG 163.A NH1 ASP 324.A OD2 no hydrogen 3.036 N/A ARG 163.A NH1 CYS 329.A O no hydrogen 3.106 N/A ARG 163.A NH2 GLU 159.A OE2 no hydrogen 3.158 N/A ARG 163.A NH2 CYS 329.A O no hydrogen 2.652 N/A GLY 164.A N MET 157.A O no hydrogen 3.061 N/A ARG 165.A N GLU 162.A O no hydrogen 3.014 N/A ARG 165.A NH1 GLU 162.A OE1 no hydrogen 2.909 N/A VAL 166.A N GLN 131.A OE1 no hydrogen 2.892 N/A LYS 167.A N LEU 155.A O no hydrogen 2.779 N/A LYS 167.A NZ PRO 79.A O no hydrogen 2.690 N/A LYS 167.A NZ GLU 162.A OE1 no hydrogen 2.750 N/A ILE 168.A N ASN 80.A O no hydrogen 2.944 N/A ALA 169.A N ASN 153.A O no hydrogen 2.908 N/A GLY 172.A N HIS 146.A O no hydrogen 2.553 N/A ARG 175.A NE ALA 174.A O no hydrogen 3.003 N/A ARG 175.A NH1 ARG 147.A O no hydrogen 3.275 N/A ARG 175.A NH1 TYR 198.A OH no hydrogen 3.025 N/A ASN 178.A N ARG 175.A O no hydrogen 3.106 N/A ASN 178.A ND2 TYR 198.A O no hydrogen 3.313 N/A SER 179.A N LEU 176.A O no hydrogen 3.044 N/A SER 179.A OG ARG 196.A O no hydrogen 3.206 N/A LEU 181.A N SER 179.A OG no hydrogen 3.418 N/A TRP 185.A NE1 CYS 223.A O no hydrogen 3.148 N/A TYR 186.A OH GLU 213.A OE1 no hydrogen 2.426 N/A TYR 186.A OH GLU 213.A OE2 no hydrogen 3.349 N/A ARG 187.A N PHE 184.A O no hydrogen 3.436 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.877 N/A LEU 192.A N ALA 188.A O no hydrogen 3.405 N/A LEU 193.A N PRO 189.A O no hydrogen 2.826 N/A GLY 194.A N LEU 191.A O no hydrogen 2.889 N/A ALA 195.A N GLU 190.A O no hydrogen 2.950 N/A TYR 198.A N ASN 178.A O no hydrogen 3.316 N/A LYS 200.A NZ HIS 140.A O no hydrogen 3.014 N/A ILE 202.A N THR 199.A O no hydrogen 3.206 N/A ILE 202.A N THR 199.A OG1 no hydrogen 3.170 N/A ILE 204.A N LYS 200.A O no hydrogen 3.142 N/A TRP 205.A N ALA 201.A O no hydrogen 3.003 N/A ALA 206.A N ILE 202.A O no hydrogen 3.258 N/A ILE 207.A N ASP 203.A O no hydrogen 3.053 N/A GLY 208.A N ILE 204.A O no hydrogen 3.094 N/A CYS 209.A N TRP 205.A O no hydrogen 3.060 N/A CYS 209.A SG TRP 185.A O no hydrogen 3.852 N/A CYS 209.A SG TRP 205.A O no hydrogen 3.356 N/A ILE 210.A N ALA 206.A O no hydrogen 2.985 N/A PHE 211.A N ILE 207.A O no hydrogen 2.899 N/A ALA 212.A N GLY 208.A O no hydrogen 2.885 N/A GLU 213.A N CYS 209.A O no hydrogen 2.919 N/A LEU 214.A N ILE 210.A O no hydrogen 2.783 N/A LEU 215.A N PHE 211.A O no hydrogen 3.152 N/A THR 216.A N ALA 212.A O no hydrogen 3.168 N/A THR 216.A OG1 ALA 212.A O no hydrogen 2.916 N/A SER 217.A N GLU 213.A O no hydrogen 2.751 N/A GLU 218.A N THR 216.A OG1 no hydrogen 2.991 N/A HIS 222.A N PRO 219.A O no hydrogen 3.130 N/A ARG 224.A NE ASP 230.A OD2 no hydrogen 2.811 N/A TYR 227.A OH ASP 262.A OD2 no hydrogen 2.836 N/A HIS 229.A ND1 ASP 230.A OD1 no hydrogen 3.143 N/A GLN 231.A NE2 PHE 221.A O no hydrogen 3.053 N/A GLN 231.A NE2 GLN 231.A O no hydrogen 3.231 N/A LEU 232.A N HIS 228.A O no hydrogen 3.310 N/A ASP 233.A N HIS 229.A O no hydrogen 2.823 N/A ARG 234.A N ASP 230.A O no hydrogen 3.055 N/A ARG 234.A NE ILE 220.A O no hydrogen 3.026 N/A ARG 234.A NH2 ILE 220.A O no hydrogen 2.804 N/A ILE 235.A N GLN 231.A O no hydrogen 3.118 N/A PHE 236.A N LEU 232.A O no hydrogen 3.014 N/A ASN 237.A N ASP 233.A O no hydrogen 2.951 N/A VAL 238.A N ARG 234.A O no hydrogen 3.107 N/A MET 239.A N ILE 235.A O no hydrogen 2.703 N/A GLY 240.A N PHE 236.A O no hydrogen 2.740 N/A ALA 243.A N ASP 246.A OD2 no hydrogen 3.115 N/A ASP 246.A N ALA 243.A O no hydrogen 3.056 N/A TRP 247.A N ASP 244.A O no hydrogen 3.362 N/A ILE 250.A N TRP 247.A O no hydrogen 3.255 N/A LYS 252.A N ASP 249.A O no hydrogen 3.004 N/A MET 253.A N ILE 250.A O no hydrogen 3.011 N/A GLU 255.A N LEU 193.A O no hydrogen 3.115 N/A HIS 256.A N MET 253.A O no hydrogen 3.084 N/A THR 258.A OG1 GLU 255.A OE1 no hydrogen 3.444 N/A LEU 259.A N GLU 255.A O no hydrogen 3.079 N/A MET 260.A N HIS 256.A O no hydrogen 3.105 N/A LYS 261.A N SER 257.A O no hydrogen 3.118 N/A ASP 262.A N THR 258.A O no hydrogen 3.036 N/A PHE 263.A N LEU 259.A O no hydrogen 2.999 N/A ARG 265.A NH1 PRO 242.A O no hydrogen 3.265 N/A ARG 265.A NH2 PRO 242.A O no hydrogen 3.267 N/A THR 267.A N ARG 264.A O no hydrogen 3.165 N/A THR 267.A OG1 ARG 264.A O no hydrogen 2.987 N/A TYR 268.A N ARG 265.A O no hydrogen 3.019 N/A TYR 268.A OH ASP 233.A OD1 no hydrogen 2.592 N/A THR 269.A OG1 ASN 266.A O no hydrogen 2.522 N/A CYS 271.A N TYR 268.A O no hydrogen 3.316 N/A CYS 271.A SG ASN 237.A O no hydrogen 3.603 N/A LYS 275.A N SER 272.A OG no hydrogen 3.272 N/A TYR 276.A N SER 272.A O no hydrogen 3.044 N/A MET 277.A N LEU 273.A O no hydrogen 2.980 N/A GLU 278.A N ILE 274.A O no hydrogen 3.059 N/A LYS 279.A N LYS 275.A O no hydrogen 3.387 N/A HIS 280.A N MET 277.A O no hydrogen 3.197 N/A LYS 281.A N GLU 278.A O no hydrogen 3.197 N/A VAL 282.A N MET 277.A O no hydrogen 3.087 N/A SER 286.A N LYS 283.A O no hydrogen 3.149 N/A SER 286.A OG LYS 283.A O no hydrogen 2.753 N/A PHE 289.A N SER 286.A OG no hydrogen 2.956 N/A HIS 290.A N SER 286.A O no hydrogen 3.096 N/A LEU 291.A N LYS 287.A O no hydrogen 3.004 N/A LEU 292.A N ALA 288.A O no hydrogen 2.899 N/A GLN 293.A N PHE 289.A O no hydrogen 2.840 N/A LYS 294.A N HIS 290.A O no hydrogen 3.353 N/A LEU 295.A N LEU 291.A O no hydrogen 3.042 N/A LEU 296.A N LEU 292.A O no hydrogen 2.869 N/A THR 297.A OG1 GLN 293.A O no hydrogen 3.105 N/A THR 297.A OG1 LYS 294.A O no hydrogen 2.925 N/A THR 297.A OG1 LYS 302.A O no hydrogen 3.537 N/A ILE 301.A N ASP 299.A OD1 no hydrogen 3.019 N/A LYS 302.A N ASP 299.A O no hydrogen 2.912 N/A LYS 302.A NZ LYS 245.A O no hydrogen 3.037 N/A ARG 303.A N PRO 300.A O no hydrogen 3.323 N/A ARG 303.A NE THR 297.A O no hydrogen 2.715 N/A ARG 303.A NH1 GLU 190.A OE2 no hydrogen 2.936 N/A ARG 303.A NH1 ALA 201.A O no hydrogen 2.728 N/A ARG 303.A NH2 GLU 190.A OE1 no hydrogen 2.943 N/A ARG 303.A NH2 THR 297.A O no hydrogen 2.966 N/A ARG 303.A NH2 MET 298.A O no hydrogen 2.967 N/A THR 305.A N GLN 308.A OE1 no hydrogen 3.197 N/A THR 305.A OG1 GLN 308.A OE1 no hydrogen 3.435 N/A GLN 308.A N THR 305.A OG1 no hydrogen 3.224 N/A ALA 309.A N THR 305.A O no hydrogen 3.187 N/A MET 310.A N SER 306.A O no hydrogen 3.036 N/A GLN 311.A N GLU 307.A O no hydrogen 3.236 N/A GLN 311.A N GLN 308.A O no hydrogen 3.147 N/A ASP 312.A N ALA 309.A O no hydrogen 3.162 N/A TYR 314.A N ASP 312.A OD1 no hydrogen 2.928 N/A PHE 315.A N ASP 312.A O no hydrogen 3.203 N/A LEU 316.A N PRO 313.A O no hydrogen 2.986 N/A GLU 317.A N PRO 313.A O no hydrogen 3.101 N/A THR 322.A N SER 127.A OG no hydrogen 2.977 N/A THR 322.A OG1 ASP 324.A O no hydrogen 2.583 N/A VAL 325.A N GLY 164.A O no hydrogen 2.762 N/A PHE 326.A N ASP 324.A OD1 no hydrogen 2.789 N/A ALA 327.A N ASP 324.A O no hydrogen 2.989 N/A CYS 329.A N PHE 326.A O no hydrogen 3.012 N/A CYS 329.A SG PHE 326.A O no hydrogen 3.416 N/A CYS 329.A SG ALA 327.A O no hydrogen 3.705 N/A TYR 333.A OH HIS 114.A NE2 no hydrogen 2.577 N/A ARG 336.A N GLU 104.A OE2 no hydrogen 3.420 N/A ARG 336.A NE ALA 103.A O no hydrogen 3.007 N/A ARG 336.A NH1 ASP 106.A OD2 no hydrogen 2.713 N/A ARG 336.A NH2 ALA 103.A O no hydrogen 2.815 N/A ARG 336.A NH2 ASP 106.A OD2 no hydrogen 3.249 N/A LEU 339.A N LYS 29.A O no hydrogen 2.992 N/A