Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cei_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ASP 3.A OD2 no hydrogen 2.980 N/A LYS 7.A N ASP 3.A O no hydrogen 2.862 N/A VAL 8.A N TYR 4.A O no hydrogen 2.928 N/A LYS 9.A N ASP 5.A O no hydrogen 3.026 N/A LYS 9.A NZ GLU 13.A OE2 no hydrogen 3.335 N/A LEU 10.A N PHE 6.A O no hydrogen 2.981 N/A SER 11.A N LYS 7.A O no hydrogen 2.869 N/A SER 12.A N VAL 8.A O no hydrogen 2.905 N/A GLU 13.A N LYS 9.A O no hydrogen 3.042 N/A ARG 14.A N SER 11.A O no hydrogen 3.409 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.722 N/A ASP 19.A N ARG 16.A O no hydrogen 2.867 N/A LEU 20.A N ARG 16.A O no hydrogen 3.106 N/A LEU 20.A N VAL 17.A O no hydrogen 3.251 N/A PHE 21.A N VAL 17.A O no hydrogen 2.979 N/A GLU 22.A N LYS 40.A O no hydrogen 2.843 N/A CYS 26.A N TYR 23.A O no hydrogen 3.006 N/A CYS 26.A SG GLU 24.A O no hydrogen 3.659 N/A LYS 27.A NZ HIS 35.A ND1 no hydrogen 2.994 N/A VAL 28.A N VAL 36.A O no hydrogen 2.803 N/A GLY 29.A N VAL 36.A O no hydrogen 3.192 N/A ARG 30.A NH2 GLU 344.A O no hydrogen 3.107 N/A GLY 34.A N GLY 31.A O no hydrogen 3.080 N/A HIS 35.A N GLN 54.A O no hydrogen 3.010 N/A VAL 36.A N GLY 29.A O no hydrogen 2.718 N/A TYR 37.A N LEU 52.A O no hydrogen 2.754 N/A LYS 38.A N CYS 26.A O no hydrogen 2.787 N/A ALA 39.A N TYR 50.A O no hydrogen 2.754 N/A LYS 40.A N GLU 22.A O no hydrogen 3.091 N/A ARG 41.A NE ASP 43.A OD1 no hydrogen 3.297 N/A ARG 41.A NH2 ASP 43.A OD1 no hydrogen 3.339 N/A LYS 42.A N LEU 20.A O no hydrogen 2.724 N/A LYS 42.A NZ GLU 18.A O no hydrogen 2.897 N/A GLY 44.A N ASP 43.A OD1 no hydrogen 2.301 N/A LYS 45.A N ASP 43.A O no hydrogen 2.731 N/A TYR 50.A N ALA 39.A O no hydrogen 2.786 N/A TYR 50.A OH ASP 46.A OD2 no hydrogen 2.815 N/A ALA 51.A N PHE 98.A O no hydrogen 2.764 N/A LEU 52.A N TYR 37.A O no hydrogen 2.752 N/A LYS 53.A N LEU 96.A O no hydrogen 2.761 N/A LYS 53.A NZ GLU 67.A OE1 no hydrogen 3.525 N/A LYS 53.A NZ GLU 67.A OE2 no hydrogen 2.579 N/A GLN 54.A N HIS 35.A O no hydrogen 2.816 N/A ILE 55.A N VAL 94.A O no hydrogen 3.004 N/A GLU 56.A N TYR 33.A O no hydrogen 2.637 N/A GLY 59.A N ARG 92.A O no hydrogen 2.886 N/A ALA 64.A N SER 61.A OG no hydrogen 3.080 N/A CYS 65.A N SER 61.A O no hydrogen 2.648 N/A CYS 65.A SG.A SER 61.A O no hydrogen 3.399 N/A ARG 66.A N MET 62.A O no hydrogen 2.970 N/A ARG 66.A NE PHE 172.A O no hydrogen 2.727 N/A ARG 66.A NH1 PHE 172.A O no hydrogen 3.546 N/A GLU 67.A N SER 63.A O no hydrogen 3.085 N/A ILE 68.A N ALA 64.A O no hydrogen 2.984 N/A ALA 69.A N CYS 65.A O no hydrogen 2.830 N/A LEU 70.A N ARG 66.A O no hydrogen 2.987 N/A LEU 71.A N GLU 67.A O no hydrogen 3.002 N/A ARG 72.A N ILE 68.A O no hydrogen 2.848 N/A ARG 72.A NH2 ARG 72.A O no hydrogen 3.090 N/A GLU 73.A N LEU 70.A O no hydrogen 3.084 N/A LEU 74.A N LEU 70.A O no hydrogen 2.883 N/A LYS 75.A N TYR 137.A OH no hydrogen 2.831 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.990 N/A ASN 78.A ND2 GLN 130.A OE1 no hydrogen 2.884 N/A ASN 78.A ND2 VAL 165.A O no hydrogen 3.088 N/A VAL 79.A N HIS 76.A O no hydrogen 3.015 N/A ILE 80.A N ILE 167.A O no hydrogen 2.970 N/A GLN 83.A N LEU 97.A O no hydrogen 2.753 N/A PHE 86.A N TRP 95.A O no hydrogen 2.813 N/A SER 88.A N LYS 93.A O no hydrogen 3.020 N/A SER 88.A OG ASP 91.A OD1 no hydrogen 2.820 N/A ARG 92.A N HIS 89.A O no hydrogen 3.295 N/A LYS 93.A N SER 88.A O no hydrogen 3.237 N/A LYS 93.A N ASP 91.A OD1 no hydrogen 3.306 N/A LYS 93.A NZ ILE 55.A O no hydrogen 3.216 N/A LYS 93.A NZ GLY 57.A O no hydrogen 2.560 N/A TRP 95.A N PHE 86.A O no hydrogen 2.835 N/A LEU 96.A N LYS 53.A O no hydrogen 2.850 N/A LEU 97.A N LYS 84.A O no hydrogen 2.855 N/A PHE 98.A N ALA 51.A O no hydrogen 2.869 N/A TYR 100.A N ASP 49.A O no hydrogen 3.285 N/A TYR 100.A OH GLU 102.A OE2 no hydrogen 3.157 N/A HIS 103.A N VAL 155.A O no hydrogen 3.086 N/A LEU 105.A N ILE 153.A O no hydrogen 2.952 N/A TRP 106.A N PRO 150.A O no hydrogen 3.223 N/A HIS 107.A N ASP 104.A OD1 no hydrogen 2.878 N/A HIS 107.A ND1 ASP 104.A OD1 no hydrogen 2.852 N/A HIS 107.A ND1 ASP 104.A OD2 no hydrogen 2.740 N/A ILE 108.A N ASP 104.A O no hydrogen 2.978 N/A ILE 109.A N LEU 105.A O no hydrogen 2.859 N/A LYS 110.A N TRP 106.A O no hydrogen 2.938 N/A PHE 111.A N HIS 107.A O no hydrogen 2.898 N/A HIS 112.A N ILE 108.A O no hydrogen 3.265 N/A ARG 113.A N ILE 109.A O no hydrogen 2.973 N/A ALA 114.A N LYS 110.A O no hydrogen 2.973 N/A SER 115.A N PHE 111.A O no hydrogen 3.338 N/A ALA 117.A N ALA 114.A O no hydrogen 3.134 N/A GLN 118.A NE2 LEU 214.A O no hydrogen 3.209 N/A GLN 118.A NE2 LEU 215.A O no hydrogen 3.587 N/A MET 123.A N PRO 120.A O no hydrogen 3.481 N/A LYS 125.A NZ TYR 317.A O no hydrogen 2.939 N/A LYS 125.A NZ PRO 322.A O no hydrogen 2.755 N/A SER 126.A N GLY 122.A O no hydrogen 2.688 N/A SER 126.A OG GLY 122.A O no hydrogen 2.595 N/A SER 126.A OG THR 325.A OG1 no hydrogen 3.210 N/A LEU 127.A N MET 123.A O no hydrogen 2.817 N/A LEU 128.A N VAL 124.A O no hydrogen 2.949 N/A TYR 129.A N LYS 125.A O no hydrogen 2.911 N/A GLN 130.A N SER 126.A O no hydrogen 3.068 N/A GLN 130.A NE2 THR 325.A O no hydrogen 3.207 N/A GLN 130.A NE2 SER 326.A O no hydrogen 3.006 N/A ILE 131.A N LEU 127.A O no hydrogen 2.883 N/A LEU 132.A N LEU 128.A O no hydrogen 2.870 N/A ASP 133.A N TYR 129.A O no hydrogen 2.783 N/A GLY 134.A N GLN 130.A O no hydrogen 2.930 N/A ILE 135.A N ILE 131.A O no hydrogen 2.978 N/A HIS 136.A N LEU 132.A O no hydrogen 2.825 N/A TYR 137.A N ASP 133.A O no hydrogen 3.156 N/A LEU 138.A N GLY 134.A O no hydrogen 3.149 N/A HIS 139.A N ILE 135.A O no hydrogen 2.785 N/A HIS 139.A NE2 ASP 203.A OD2 no hydrogen 2.834 N/A ALA 140.A N HIS 136.A O no hydrogen 2.831 N/A ASN 141.A N TYR 137.A O no hydrogen 3.293 N/A ASN 141.A N LEU 138.A O no hydrogen 2.920 N/A ASN 141.A ND2 TYR 137.A O no hydrogen 2.773 N/A TRP 142.A N HIS 139.A O no hydrogen 2.771 N/A VAL 143.A N LEU 138.A O no hydrogen 2.840 N/A HIS 145.A N ASP 203.A OD2 no hydrogen 2.813 N/A HIS 145.A NE2 ALA 168.A O no hydrogen 2.817 N/A ARG 146.A N ASP 203.A OD1 no hydrogen 2.842 N/A ARG 146.A NE GLY 171.A O no hydrogen 2.853 N/A ARG 146.A NH1 ASN 177.A OD1 no hydrogen 2.559 N/A ARG 146.A NH2 GLY 171.A O no hydrogen 2.873 N/A ASP 147.A N HIS 145.A ND1 no hydrogen 3.131 N/A LYS 149.A N ASN 152.A OD1 no hydrogen 3.142 N/A ASN 152.A N LYS 149.A O no hydrogen 3.047 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 3.054 N/A ILE 153.A N PRO 150.A O no hydrogen 3.250 N/A LEU 154.A N LYS 166.A O no hydrogen 2.959 N/A VAL 155.A N HIS 103.A O no hydrogen 2.704 N/A MET 156.A N ARG 164.A O no hydrogen 2.941 N/A ARG 162.A N GLY 159.A O no hydrogen 3.064 N/A ARG 162.A NE GLU 158.A OE1 no hydrogen 3.018 N/A ARG 162.A NE GLU 158.A OE2 no hydrogen 2.932 N/A ARG 162.A NH1 ASP 327.A OD2 no hydrogen 3.027 N/A ARG 162.A NH1 CYS 332.A O no hydrogen 3.062 N/A ARG 162.A NH2 GLU 158.A OE2 no hydrogen 3.002 N/A ARG 162.A NH2 CYS 332.A O no hydrogen 2.456 N/A GLY 163.A N MET 156.A O no hydrogen 2.858 N/A ARG 164.A N GLU 161.A O no hydrogen 2.907 N/A ARG 164.A NH1 GLU 161.A OE1 no hydrogen 2.826 N/A VAL 165.A N GLN 130.A OE1 no hydrogen 2.847 N/A LYS 166.A N LEU 154.A O no hydrogen 2.791 N/A LYS 166.A NZ PRO 77.A O no hydrogen 2.632 N/A LYS 166.A NZ GLU 161.A OE1 no hydrogen 2.817 N/A ILE 167.A N ASN 78.A O no hydrogen 2.709 N/A ALA 168.A N ASN 152.A O no hydrogen 2.968 N/A GLY 171.A N HIS 145.A O no hydrogen 2.685 N/A PHE 172.A N MET 170.A O no hydrogen 2.805 N/A ARG 174.A NH1.A ARG 146.A O no hydrogen 3.343 N/A ARG 174.A NH2.B ALA 173.A O no hydrogen 2.732 N/A ASN 177.A N ARG 174.A O.A no hydrogen 2.790 N/A ASN 177.A N ARG 174.A O.B no hydrogen 2.845 N/A ASN 177.A ND2 TYR 198.A O no hydrogen 3.239 N/A SER 178.A N LEU 175.A O no hydrogen 2.835 N/A SER 178.A OG ARG 196.A O no hydrogen 3.120 N/A LEU 180.A N SER 178.A OG no hydrogen 3.176 N/A TRP 185.A NE1 CYS 223.A O no hydrogen 2.964 N/A TYR 186.A OH GLU 213.A OE1 no hydrogen 2.522 N/A TYR 186.A OH GLU 213.A OE2 no hydrogen 3.312 N/A ARG 187.A N PHE 184.A O no hydrogen 3.179 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.622 N/A LEU 191.A N ALA 188.A O no hydrogen 3.023 N/A LEU 192.A N ALA 188.A O no hydrogen 3.374 N/A LEU 193.A N PRO 189.A O no hydrogen 3.007 N/A LEU 193.A N GLU 190.A O no hydrogen 3.197 N/A GLY 194.A N LEU 191.A O no hydrogen 3.117 N/A ALA 195.A N GLU 190.A O no hydrogen 2.786 N/A ARG 196.A NH2 GLY 194.A O no hydrogen 3.099 N/A TYR 198.A N ASN 177.A O no hydrogen 3.130 N/A LYS 200.A NZ HIS 139.A O no hydrogen 3.284 N/A ILE 202.A N THR 199.A O no hydrogen 3.276 N/A ILE 202.A N THR 199.A OG1 no hydrogen 3.174 N/A ILE 204.A N LYS 200.A O no hydrogen 3.086 N/A TRP 205.A N ALA 201.A O no hydrogen 2.937 N/A ALA 206.A N ILE 202.A O no hydrogen 3.367 N/A ILE 207.A N ASP 203.A O no hydrogen 3.052 N/A GLY 208.A N ILE 204.A O no hydrogen 3.001 N/A CYS 209.A N TRP 205.A O no hydrogen 3.023 N/A CYS 209.A SG TRP 185.A O no hydrogen 3.790 N/A CYS 209.A SG TRP 205.A O no hydrogen 3.406 N/A ILE 210.A N ALA 206.A O no hydrogen 3.028 N/A PHE 211.A N ILE 207.A O no hydrogen 2.822 N/A ALA 212.A N GLY 208.A O no hydrogen 2.953 N/A GLU 213.A N CYS 209.A O no hydrogen 2.972 N/A LEU 214.A N ILE 210.A O no hydrogen 2.829 N/A LEU 215.A N PHE 211.A O no hydrogen 2.973 N/A THR 216.A N ALA 212.A O no hydrogen 2.952 N/A THR 216.A OG1 ALA 212.A O no hydrogen 3.038 N/A SER 217.A N GLU 213.A O no hydrogen 2.674 N/A GLU 218.A N THR 216.A OG1 no hydrogen 3.055 N/A HIS 222.A N PRO 219.A O no hydrogen 3.112 N/A CYS 223.A SG ARG 224.A O no hydrogen 3.897 N/A ARG 224.A NE ASP 233.A OD2 no hydrogen 3.352 N/A ASN 228.A ND2 TYR 230.A O no hydrogen 2.955 N/A TYR 230.A OH ASP 265.A OD2 no hydrogen 2.935 N/A HIS 232.A ND1 ASP 233.A OD1 no hydrogen 3.037 N/A GLN 234.A N HIS 231.A ND1.A no hydrogen 3.069 N/A GLN 234.A N HIS 231.A O.B no hydrogen 3.209 N/A GLN 234.A NE2 PHE 221.A O no hydrogen 2.896 N/A GLN 234.A NE2 GLN 234.A O no hydrogen 3.288 N/A LEU 235.A N HIS 231.A O.A no hydrogen 3.193 N/A LEU 235.A N HIS 231.A O.B no hydrogen 3.198 N/A ASP 236.A N HIS 232.A O no hydrogen 2.888 N/A ARG 237.A N ASP 233.A O no hydrogen 2.965 N/A ARG 237.A NE ILE 220.A O no hydrogen 2.998 N/A ARG 237.A NH2 ILE 220.A O no hydrogen 2.846 N/A ILE 238.A N GLN 234.A O no hydrogen 3.048 N/A PHE 239.A N LEU 235.A O no hydrogen 2.896 N/A ASN 240.A N ASP 236.A O no hydrogen 2.806 N/A VAL 241.A N ARG 237.A O no hydrogen 2.985 N/A VAL 241.A N ILE 238.A O no hydrogen 3.051 N/A MET 242.A N ILE 238.A O no hydrogen 2.569 N/A GLY 243.A N PHE 239.A O no hydrogen 2.711 N/A ALA 246.A N ASP 249.A OD2 no hydrogen 2.842 N/A ASP 249.A N ALA 246.A O no hydrogen 3.173 N/A TRP 250.A N ALA 246.A O no hydrogen 3.348 N/A ILE 253.A N TRP 250.A O no hydrogen 2.960 N/A LYS 255.A N ASP 252.A O no hydrogen 2.898 N/A MET 256.A N ILE 253.A O no hydrogen 2.953 N/A GLU 258.A N LEU 193.A O no hydrogen 3.159 N/A HIS 259.A N MET 256.A O no hydrogen 3.082 N/A THR 261.A OG1 GLU 258.A OE1 no hydrogen 2.906 N/A LEU 262.A N GLU 258.A O no hydrogen 2.879 N/A MET 263.A N HIS 259.A O no hydrogen 2.944 N/A LYS 264.A N SER 260.A O no hydrogen 2.895 N/A LYS 264.A NZ ASP 265.A OD1 no hydrogen 3.238 N/A ASP 265.A N THR 261.A O no hydrogen 3.091 N/A ASP 265.A N LEU 262.A O no hydrogen 3.129 N/A PHE 266.A N LEU 262.A O no hydrogen 2.874 N/A ARG 268.A NH1 PHE 244.A O no hydrogen 3.001 N/A ARG 268.A NH1 PRO 245.A O no hydrogen 3.107 N/A ARG 268.A NH2 PRO 245.A O no hydrogen 2.719 N/A THR 270.A N ARG 267.A O no hydrogen 3.062 N/A THR 270.A OG1 ARG 267.A O no hydrogen 3.164 N/A TYR 271.A N ARG 268.A O no hydrogen 3.003 N/A TYR 271.A OH ASP 236.A OD1 no hydrogen 2.533 N/A CYS 274.A N TYR 271.A O no hydrogen 3.010 N/A CYS 274.A SG ASN 240.A O no hydrogen 3.452 N/A LYS 278.A N SER 275.A OG no hydrogen 3.095 N/A LYS 278.A NZ ASN 273.A O no hydrogen 3.502 N/A TYR 279.A N SER 275.A O no hydrogen 2.971 N/A MET 280.A N LEU 276.A O no hydrogen 2.798 N/A GLU 281.A N ILE 277.A O no hydrogen 2.990 N/A LYS 282.A N LYS 278.A O no hydrogen 3.200 N/A LYS 282.A N TYR 279.A O no hydrogen 3.182 N/A HIS 283.A N MET 280.A O no hydrogen 3.123 N/A LYS 284.A N GLU 281.A O no hydrogen 3.403 N/A VAL 285.A N MET 280.A O no hydrogen 2.874 N/A ASP 288.A N ASP 288.A OD1 no hydrogen 2.500 N/A SER 289.A N LYS 286.A O no hydrogen 3.081 N/A SER 289.A OG LYS 286.A O no hydrogen 2.678 N/A PHE 292.A N SER 289.A OG no hydrogen 3.055 N/A HIS 293.A N SER 289.A O no hydrogen 3.268 N/A LEU 294.A N LYS 290.A O no hydrogen 3.088 N/A LEU 295.A N ALA 291.A O no hydrogen 2.967 N/A GLN 296.A N PHE 292.A O no hydrogen 2.903 N/A LYS 297.A N HIS 293.A O no hydrogen 3.286 N/A LYS 297.A N LEU 294.A O no hydrogen 2.959 N/A LEU 298.A N LEU 294.A O no hydrogen 3.158 N/A LEU 298.A N LEU 295.A O no hydrogen 3.123 N/A LEU 299.A N LEU 295.A O no hydrogen 2.989 N/A THR 300.A OG1 GLN 296.A O no hydrogen 3.335 N/A THR 300.A OG1 LYS 297.A O no hydrogen 3.301 N/A ILE 304.A N ASP 302.A OD1 no hydrogen 3.177 N/A LYS 305.A N ASP 302.A O no hydrogen 3.007 N/A LYS 305.A NZ ASP 249.A O no hydrogen 3.256 N/A ARG 306.A N PRO 303.A O no hydrogen 3.230 N/A ARG 306.A NE THR 300.A O no hydrogen 2.886 N/A ARG 306.A NH1 GLU 190.A OE2 no hydrogen 2.777 N/A ARG 306.A NH1 ALA 201.A O no hydrogen 2.884 N/A ARG 306.A NH2 GLU 190.A OE1 no hydrogen 3.001 N/A ARG 306.A NH2 GLU 190.A OE2 no hydrogen 3.520 N/A ARG 306.A NH2 THR 300.A O no hydrogen 3.075 N/A ARG 306.A NH2 MET 301.A O no hydrogen 3.000 N/A ILE 307.A N LYS 297.A O no hydrogen 3.221 N/A THR 308.A N GLN 311.A OE1 no hydrogen 3.238 N/A SER 309.A OG GLU 310.A OE1 no hydrogen 3.285 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.777 N/A GLN 311.A N THR 308.A OG1 no hydrogen 3.264 N/A ALA 312.A N THR 308.A O no hydrogen 2.943 N/A MET 313.A N SER 309.A O no hydrogen 2.985 N/A GLN 314.A N GLU 310.A O no hydrogen 3.268 N/A GLN 314.A N GLN 311.A O no hydrogen 3.300 N/A ASP 315.A N ALA 312.A O no hydrogen 3.079 N/A TYR 317.A N ASP 315.A OD1 no hydrogen 3.007 N/A PHE 318.A N ASP 315.A O no hydrogen 2.985 N/A LEU 319.A N PRO 316.A O no hydrogen 2.835 N/A GLU 320.A N TYR 317.A O no hydrogen 3.252 N/A THR 325.A N SER 126.A OG no hydrogen 2.900 N/A THR 325.A OG1 SER 126.A OG no hydrogen 3.210 N/A THR 325.A OG1 ASP 327.A O no hydrogen 2.585 N/A VAL 328.A N GLY 163.A O no hydrogen 2.954 N/A PHE 329.A N ASP 327.A OD1 no hydrogen 2.765 N/A ALA 330.A N ASP 327.A O no hydrogen 2.869 N/A GLY 331.A N ASP 327.A OD2 no hydrogen 3.241 N/A CYS 332.A N PHE 329.A O no hydrogen 3.080 N/A CYS 332.A SG ALA 330.A O no hydrogen 3.659 N/A ARG 339.A N GLU 102.A OE2 no hydrogen 2.938 N/A ARG 339.A NE ALA 101.A O no hydrogen 3.002 N/A ARG 339.A NH1 ALA 101.A O no hydrogen 2.969 N/A ARG 339.A NH1 ASP 104.A OD2 no hydrogen 2.778 N/A ARG 339.A NH2 ASP 104.A OD2 no hydrogen 2.573 N/A LEU 342.A N LYS 27.A O no hydrogen 2.883 N/A