Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3esw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 13.A N MET 11.A O no hydrogen 2.850 N/A SER 18.A N ASP 15.A OD2 no hydrogen 3.267 N/A ILE 19.A N ASP 15.A O no hydrogen 3.383 N/A ALA 20.A N PHE 16.A O no hydrogen 2.534 N/A LYS 21.A N ASP 17.A O no hydrogen 3.146 N/A MET 22.A N SER 18.A O no hydrogen 2.954 N/A LEU 24.A N ALA 20.A O no hydrogen 3.508 N/A TYR 27.A N LEU 23.A O no hydrogen 2.448 N/A LYS 28.A N LEU 24.A O no hydrogen 3.314 N/A ASP 29.A N LYS 26.A O no hydrogen 3.090 N/A PHE 30.A N LYS 26.A O no hydrogen 3.158 N/A ILE 31.A N TYR 27.A O no hydrogen 2.848 N/A LEU 32.A N LYS 28.A O no hydrogen 2.978 N/A SER 33.A N ASP 29.A O no hydrogen 2.920 N/A SER 33.A OG ASP 29.A O no hydrogen 2.967 N/A SER 33.A OG PHE 30.A O no hydrogen 2.442 N/A LYS 34.A N PHE 30.A O no hydrogen 3.141 N/A PHE 35.A N ILE 31.A O no hydrogen 3.195 N/A ASN 43.A N PRO 40.A O no hydrogen 3.210 N/A ASN 43.A ND2 GLN 47.A OE1 no hydrogen 2.539 N/A ILE 44.A N PRO 40.A O no hydrogen 3.337 N/A ILE 44.A N VAL 41.A O no hydrogen 3.276 N/A PHE 46.A N GLU 42.A O no hydrogen 3.115 N/A GLN 47.A N ASN 43.A O no hydrogen 2.846 N/A ASN 48.A N ILE 44.A O no hydrogen 2.663 N/A LEU 49.A N ARG 45.A O no hydrogen 2.892 N/A VAL 50.A N PHE 46.A O no hydrogen 3.043 N/A HIS 51.A N ASN 48.A O no hydrogen 2.484 N/A HIS 51.A ND1 GLN 47.A O no hydrogen 2.482 N/A THR 52.A N ASN 48.A O no hydrogen 3.042 N/A ASN 53.A N LEU 49.A O no hydrogen 3.166 N/A ASN 53.A ND2 GLN 286.A O no hydrogen 3.024 N/A ALA 56.A N ASN 53.A OD1 no hydrogen 2.980 N/A GLN 57.A N ASN 53.A O no hydrogen 3.444 N/A GLN 57.A NE2 GLN 57.A O no hydrogen 3.524 N/A GLY 58.A N GLN 54.A O no hydrogen 2.531 N/A VAL 59.A N PHE 55.A O no hydrogen 3.253 N/A LEU 60.A N ALA 56.A O no hydrogen 2.817 N/A GLY 61.A N GLN 57.A O no hydrogen 2.889 N/A GLN 62.A N GLY 58.A O no hydrogen 3.103 N/A SER 63.A N VAL 59.A O no hydrogen 2.858 N/A SER 63.A OG LEU 60.A O no hydrogen 2.726 N/A GLN 64.A N LEU 60.A O no hydrogen 3.246 N/A GLN 64.A N GLY 61.A O no hydrogen 2.957 N/A HIS 65.A N GLY 61.A O no hydrogen 3.121 N/A HIS 65.A ND1 GLY 61.A O no hydrogen 2.686 N/A LEU 66.A N GLN 62.A O no hydrogen 2.777 N/A LEU 66.A N SER 63.A O no hydrogen 3.394 N/A CYS 67.A N SER 63.A O no hydrogen 3.059 N/A CYS 67.A SG SER 63.A O no hydrogen 3.332 N/A CYS 67.A SG GLY 265.A O no hydrogen 3.287 N/A TYR 70.A OH ASN 199.A OD1 no hydrogen 2.338 N/A ASP 71.A N THR 68.A O no hydrogen 3.084 N/A SER 74.A N ASN 72.A OD1 no hydrogen 3.096 N/A SER 74.A OG ASN 72.A OD1 no hydrogen 3.010 N/A HIS 76.A N ASN 72.A O no hydrogen 2.936 N/A HIS 76.A NE2 TYR 70.A O no hydrogen 2.605 N/A SER 77.A N PRO 73.A O no hydrogen 2.862 N/A SER 77.A OG GLU 81.A OE1 no hydrogen 3.182 N/A ILE 78.A N SER 74.A O no hydrogen 3.238 N/A VAL 79.A N TRP 75.A O no hydrogen 2.931 N/A LEU 80.A N HIS 76.A O no hydrogen 3.089 N/A GLU 81.A N SER 77.A O no hydrogen 2.791 N/A THR 82.A N ILE 78.A O no hydrogen 2.880 N/A THR 82.A OG1 ILE 78.A O no hydrogen 2.669 N/A LEU 83.A N VAL 79.A O no hydrogen 2.806 N/A ASP 84.A N TYR 119.A OH no hydrogen 3.047 N/A LEU 87.A N ASP 84.A OD2 no hydrogen 2.996 N/A ILE 88.A N ASP 84.A O no hydrogen 2.982 N/A TYR 89.A N LEU 85.A O no hydrogen 2.835 N/A LYS 90.A N ASP 86.A O no hydrogen 3.007 N/A LYS 90.A N LEU 87.A O no hydrogen 3.229 N/A ASN 91.A N LEU 87.A O no hydrogen 3.163 N/A VAL 92.A N ILE 88.A O no hydrogen 2.893 N/A ASP 93.A N TYR 89.A O no hydrogen 2.979 N/A LYS 94.A N LYS 90.A O no hydrogen 2.713 N/A GLU 95.A N ASN 91.A O no hydrogen 2.873 N/A PHE 96.A N VAL 92.A O no hydrogen 3.001 N/A ALA 97.A N ASP 93.A O no hydrogen 3.001 N/A LYS 98.A NZ LYS 98.A O no hydrogen 3.141 N/A LYS 98.A NZ ASP 99.A O no hydrogen 3.330 N/A GLU 103.A N HIS 101.A ND1 no hydrogen 3.331 N/A ASN 106.A N GLY 104.A O no hydrogen 2.992 N/A TYR 108.A OH ASP 93.A OD1 no hydrogen 2.491 N/A ASP 110.A N ILE 107.A O no hydrogen 2.728 N/A TYR 111.A N ILE 107.A O no hydrogen 3.116 N/A LEU 112.A N TYR 108.A O no hydrogen 2.886 N/A VAL 113.A N THR 109.A O no hydrogen 3.060 N/A LYS 114.A N ASP 110.A O no hydrogen 3.044 N/A GLU 115.A N TYR 111.A O no hydrogen 3.082 N/A LEU 116.A N LEU 112.A O no hydrogen 2.812 N/A LEU 117.A N VAL 113.A O no hydrogen 2.947 N/A ARG 118.A N LYS 114.A O no hydrogen 3.224 N/A ARG 118.A NH1 GLU 115.A OE1 no hydrogen 2.492 N/A ARG 118.A NH2 ASP 123.A OD1 no hydrogen 2.658 N/A TYR 119.A N GLU 115.A O no hydrogen 2.987 N/A PHE 120.A N LEU 116.A O no hydrogen 2.806 N/A LYS 121.A N LEU 117.A O no hydrogen 3.089 N/A LYS 121.A N ARG 118.A O no hydrogen 3.260 N/A GLN 122.A N ARG 118.A O no hydrogen 2.827 N/A GLN 122.A NE2 GLN 242.A OE1 no hydrogen 2.774 N/A ASP 123.A N TYR 119.A O no hydrogen 2.872 N/A PHE 124.A N TYR 119.A O no hydrogen 2.729 N/A PHE 124.A N PHE 120.A O no hydrogen 3.236 N/A PHE 125.A N PHE 120.A O no hydrogen 2.880 N/A LYS 126.A N ARG 191.A O no hydrogen 3.099 N/A LYS 126.A NZ TRP 127.A O no hydrogen 3.512 N/A TRP 127.A NE1 ASN 129.A OD1 no hydrogen 2.818 N/A CYS 128.A N GLY 193.A O no hydrogen 3.028 N/A LYS 130.A NZ SER 141.A O no hydrogen 3.557 N/A LYS 130.A NZ MET 144.A O no hydrogen 3.308 N/A ASN 134.A N THR 176.A OG1 no hydrogen 2.646 N/A THR 140.A N ASP 132.A OD1 no hydrogen 3.286 N/A THR 140.A OG1 THR 140.A O no hydrogen 2.459 N/A SER 141.A N GLU 142.A OE1 no hydrogen 3.138 N/A SER 141.A OG GLU 142.A OE1 no hydrogen 3.553 N/A MET 144.A N SER 141.A O no hydrogen 3.036 N/A THR 145.A N LYS 168.A O no hydrogen 2.962 N/A LEU 147.A N ILE 166.A O no hydrogen 3.308 N/A GLN 150.A N VAL 164.A O no hydrogen 2.989 N/A GLN 150.A NE2 GLY 151.A O no hydrogen 3.168 N/A ASN 153.A N GLU 156.A OE1 no hydrogen 3.127 N/A GLU 156.A N ASN 153.A OD1 no hydrogen 2.963 N/A SER 157.A N ASN 153.A O no hydrogen 2.958 N/A SER 157.A N GLY 154.A O no hydrogen 3.136 N/A LYS 158.A N GLU 155.A O no hydrogen 3.001 N/A LYS 158.A NZ GLU 155.A OE1 no hydrogen 3.231 N/A PHE 159.A N GLU 156.A O no hydrogen 3.360 N/A CYS 161.A SG THR 163.A O no hydrogen 3.429 N/A CYS 161.A SG ARG 180.A O no hydrogen 3.730 N/A VAL 164.A N GLN 150.A O no hydrogen 2.617 N/A GLU 165.A N PHE 178.A O no hydrogen 3.210 N/A ILE 166.A N GLY 148.A O no hydrogen 3.020 N/A TYR 167.A N THR 176.A O no hydrogen 2.906 N/A TYR 167.A OH GLU 165.A OE2 no hydrogen 2.816 N/A LYS 168.A N THR 145.A O no hydrogen 2.890 N/A LYS 168.A NZ GLY 173.A O no hydrogen 2.666 N/A CYS 169.A N ASN 174.A O no hydrogen 3.057 N/A ASN 170.A N ASN 143.A O no hydrogen 3.001 N/A CYS 172.A N CYS 169.A O no hydrogen 3.354 N/A CYS 172.A SG HIS 135.A ND1 no hydrogen 3.690 N/A CYS 172.A SG ASN 174.A OD1 no hydrogen 3.735 N/A GLY 173.A N CYS 169.A O no hydrogen 2.700 N/A THR 176.A OG1 ASP 132.A O no hydrogen 3.335 N/A PHE 178.A N GLU 165.A O no hydrogen 2.728 N/A ARG 180.A N THR 163.A O no hydrogen 2.953 N/A ARG 180.A NH1 GLU 196.A OE1 no hydrogen 3.127 N/A ARG 180.A NH1 GLU 196.A OE2 no hydrogen 2.818 N/A ARG 180.A NH2 GLU 196.A OE1 no hydrogen 3.004 N/A ASN 182.A N ASN 160.A O no hydrogen 2.882 N/A ASN 182.A ND2 ASN 160.A O no hydrogen 2.630 N/A ASP 183.A N PHE 159.A O no hydrogen 3.403 N/A ILE 185.A N ASP 183.A OD2 no hydrogen 2.820 N/A LYS 186.A N ASP 183.A O no hydrogen 2.885 N/A LYS 186.A NZ GLU 189.A OE1 no hydrogen 2.807 N/A LYS 186.A NZ GLU 189.A OE2 no hydrogen 3.143 N/A LEU 188.A N PRO 184.A O no hydrogen 3.289 N/A GLU 189.A N LYS 186.A O no hydrogen 2.880 N/A THR 190.A N LYS 186.A O no hydrogen 3.050 N/A THR 190.A OG1 LEU 187.A O no hydrogen 3.493 N/A ARG 191.A N LEU 187.A O no hydrogen 2.642 N/A ARG 191.A NE LEU 188.A O no hydrogen 2.921 N/A GLY 193.A N LYS 126.A O no hydrogen 3.108 N/A ARG 194.A N GLU 196.A OE1 no hydrogen 2.697 N/A ARG 194.A NH1 CYS 128.A O no hydrogen 2.754 N/A ARG 194.A NH2 GLU 165.A OE2 no hydrogen 2.777 N/A GLU 196.A N ARG 194.A O no hydrogen 3.070 N/A TRP 197.A N ARG 194.A O no hydrogen 3.312 N/A ASN 199.A N GLY 195.A O no hydrogen 3.159 N/A ASN 199.A ND2 ASN 182.A O no hydrogen 2.612 N/A LEU 200.A N GLU 196.A O no hydrogen 2.872 N/A PHE 201.A N TRP 197.A O no hydrogen 3.037 N/A THR 202.A N CYS 198.A O no hydrogen 2.825 N/A THR 202.A OG1 CYS 198.A O no hydrogen 2.666 N/A LEU 203.A N ASN 199.A O no hydrogen 3.205 N/A ILE 204.A N LEU 200.A O no hydrogen 2.823 N/A LEU 205.A N PHE 201.A O no hydrogen 2.933 N/A LYS 206.A N THR 202.A O no hydrogen 2.869 N/A LYS 206.A NZ ASP 71.A OD1 no hydrogen 2.935 N/A LYS 206.A NZ ASP 71.A OD2 no hydrogen 2.433 N/A SER 207.A N LEU 203.A O no hydrogen 2.864 N/A SER 207.A N ILE 204.A O no hydrogen 3.053 N/A SER 207.A OG LEU 203.A O no hydrogen 2.633 N/A PHE 208.A N LEU 205.A O no hydrogen 3.017 N/A GLY 209.A N LYS 206.A O no hydrogen 2.919 N/A ARG 213.A N GLU 225.A O no hydrogen 2.594 N/A ARG 213.A NH1 GLU 225.A OE1 no hydrogen 2.705 N/A ARG 213.A NH1 GLU 322.A OE1 no hydrogen 2.931 N/A ARG 213.A NH2 GLU 322.A OE1 no hydrogen 3.464 N/A ARG 213.A NH2 GLU 322.A OE2 no hydrogen 3.338 N/A TYR 214.A N PHE 264.A O no hydrogen 2.935 N/A VAL 215.A N TRP 223.A O no hydrogen 2.582 N/A TRP 216.A N ILE 262.A O no hydrogen 2.715 N/A ASN 217.A N HIS 221.A O no hydrogen 3.055 N/A ASN 217.A ND2 TYR 260.A O no hydrogen 3.258 N/A ARG 218.A N TYR 260.A O no hydrogen 3.419 N/A HIS 221.A NE2 ASP 238.A OD2 no hydrogen 2.756 N/A TRP 223.A N VAL 215.A O no hydrogen 2.956 N/A TRP 223.A NE1 TYR 276.A OH no hydrogen 3.044 N/A CYS 224.A N VAL 237.A O no hydrogen 2.838 N/A CYS 224.A SG THR 202.A OG1 no hydrogen 3.399 N/A GLU 225.A N ARG 213.A O no hydrogen 2.884 N/A TYR 226.A N VAL 235.A O no hydrogen 2.897 N/A TYR 226.A OH ASP 110.A OD1 no hydrogen 2.417 N/A PHE 227.A N ASP 211.A O no hydrogen 3.009 N/A SER 228.A N ARG 233.A O no hydrogen 3.088 N/A SER 228.A OG ASP 110.A OD1 no hydrogen 2.668 N/A SER 228.A OG ASP 110.A OD2 no hydrogen 2.789 N/A LEU 231.A N SER 228.A O no hydrogen 2.866 N/A LEU 231.A N SER 228.A OG no hydrogen 3.194 N/A ARG 233.A NH1 ASP 245.A OD1 no hydrogen 3.122 N/A ARG 233.A NH1 ASP 245.A OD2 no hydrogen 3.416 N/A ARG 233.A NH2 ASP 245.A OD2 no hydrogen 2.573 N/A VAL 235.A N TYR 226.A O no hydrogen 2.677 N/A HIS 236.A NE2 TYR 250.A OH no hydrogen 3.100 N/A VAL 237.A N CYS 224.A O no hydrogen 2.863 N/A ASP 238.A N SER 243.A O no hydrogen 3.138 N/A GLU 241.A N ASP 238.A OD1 no hydrogen 3.096 N/A GLN 242.A N SER 239.A O no hydrogen 2.914 N/A SER 243.A N ASP 238.A O no hydrogen 2.919 N/A SER 243.A OG GLN 246.A OE1 no hydrogen 3.338 N/A GLN 246.A N HIS 236.A ND1 no hydrogen 2.939 N/A ILE 249.A N GLN 246.A O no hydrogen 2.800 N/A TYR 250.A OH HIS 236.A NE2 no hydrogen 3.100 N/A TYR 250.A OH ASP 238.A OD2 no hydrogen 2.335 N/A SER 251.A OG GLN 279.A O no hydrogen 2.780 N/A ILE 252.A N TYR 248.A O no hydrogen 2.830 N/A TRP 254.A N ILE 249.A O no hydrogen 2.946 N/A LYS 256.A N TYR 250.A O no hydrogen 3.088 N/A LYS 256.A NZ ASN 217.A OD1 no hydrogen 2.842 N/A LYS 256.A NZ GLU 219.A O no hydrogen 2.696 N/A SER 259.A N GLU 219.A OE1 no hydrogen 2.721 N/A SER 259.A OG GLU 219.A OE1 no hydrogen 2.674 N/A SER 259.A OG GLU 219.A OE2 no hydrogen 3.560 N/A CYS 261.A N SER 273.A OG no hydrogen 2.972 N/A ILE 262.A N TRP 216.A O no hydrogen 3.043 N/A ALA 263.A N VAL 270.A O no hydrogen 2.891 N/A PHE 264.A N TYR 214.A O no hydrogen 2.858 N/A GLY 265.A N GLY 268.A O no hydrogen 2.969 N/A GLY 268.A N GLY 265.A O no hydrogen 3.159 N/A VAL 269.A N THR 300.A OG1 no hydrogen 3.353 N/A VAL 270.A N ALA 263.A O no hydrogen 3.331 N/A VAL 272.A N CYS 261.A O no hydrogen 2.842 N/A SER 273.A N ASP 271.A OD1 no hydrogen 2.679 N/A SER 273.A OG CYS 261.A O no hydrogen 3.358 N/A SER 273.A OG ASP 271.A OD1 no hydrogen 2.499 N/A SER 273.A OG ASP 271.A OD2 no hydrogen 3.464 N/A ARG 275.A N VAL 272.A O no hydrogen 2.960 N/A ARG 275.A NE GLU 225.A OE2 no hydrogen 2.901 N/A ARG 275.A NH1 GLU 325.A OE1 no hydrogen 2.912 N/A ARG 275.A NH2 GLU 225.A OE2 no hydrogen 3.283 N/A ARG 275.A NH2 GLU 322.A OE1 no hydrogen 2.837 N/A TYR 276.A N SER 273.A O no hydrogen 2.693 N/A TYR 276.A OH GLU 225.A OE2 no hydrogen 2.569 N/A ILE 277.A N SER 273.A O no hydrogen 2.816 N/A GLN 279.A NE2 SER 251.A O no hydrogen 3.325 N/A GLN 279.A NE2 ASN 280.A OD1 no hydrogen 2.975 N/A LEU 282.A N MET 258.A O no hydrogen 2.923 N/A ARG 284.A NE GLU 289.A OE2 no hydrogen 3.110 N/A ARG 284.A NH1 SER 273.A OG no hydrogen 3.126 N/A ARG 284.A NH2 ASP 271.A OD2 no hydrogen 2.823 N/A GLN 286.A N TYR 260.A OH no hydrogen 3.158 N/A LYS 288.A NZ GLU 290.A OE2 no hydrogen 3.484 N/A LEU 292.A N LYS 288.A O no hydrogen 3.097 N/A LYS 293.A N GLU 289.A O no hydrogen 3.118 N/A PHE 294.A N GLU 290.A O no hydrogen 3.144 N/A LEU 295.A N ASP 291.A O no hydrogen 2.761 N/A CYS 296.A N LEU 292.A O no hydrogen 3.030 N/A CYS 296.A SG VAL 269.A O no hydrogen 3.435 N/A CYS 296.A SG LEU 292.A O no hydrogen 3.956 N/A GLN 297.A N LYS 293.A O no hydrogen 3.097 N/A PHE 298.A N PHE 294.A O no hydrogen 2.903 N/A ILE 299.A N LEU 295.A O no hydrogen 3.127 N/A THR 300.A N CYS 296.A O no hydrogen 2.740 N/A THR 300.A OG1 CYS 296.A O no hydrogen 2.506 N/A LYS 301.A N GLN 297.A O no hydrogen 2.708 N/A LYS 301.A NZ GLU 42.A OE1 no hydrogen 2.998 N/A ARG 302.A N PHE 298.A O no hydrogen 3.029 N/A LEU 303.A N ILE 299.A O no hydrogen 2.790 N/A ARG 304.A N LYS 301.A O no hydrogen 3.073 N/A ARG 304.A NE ASP 267.A O no hydrogen 2.742 N/A ARG 304.A NH2 ASP 267.A O no hydrogen 2.896 N/A ARG 304.A NH2 ASP 319.A OD2 no hydrogen 3.056 N/A LEU 307.A N ARG 304.A O no hydrogen 3.237 N/A ASN 308.A N GLU 311.A OE1 no hydrogen 3.123 N/A GLU 311.A N ASN 308.A O no hydrogen 2.706 N/A GLU 311.A N ASN 308.A OD1 no hydrogen 2.873 N/A ILE 312.A N ASN 308.A O no hydrogen 2.780 N/A TYR 313.A N ASP 309.A O no hydrogen 3.139 N/A GLN 314.A N ASP 310.A O no hydrogen 3.193 N/A LEU 315.A N GLU 311.A O no hydrogen 3.054 N/A ALA 316.A N ILE 312.A O no hydrogen 3.185 N/A CYS 317.A N TYR 313.A O no hydrogen 3.084 N/A CYS 317.A SG TYR 313.A O no hydrogen 3.596 N/A ARG 318.A N GLN 314.A O no hydrogen 3.338 N/A ARG 318.A NH1 ASP 211.A OD2 no hydrogen 3.506 N/A ARG 318.A NH2 ASP 211.A OD2 no hydrogen 2.850 N/A ASP 319.A N LEU 315.A O no hydrogen 3.017 N/A GLU 320.A N ALA 316.A O no hydrogen 2.998 N/A GLN 321.A N CYS 317.A O no hydrogen 2.763 N/A GLN 321.A NE2 CYS 317.A O no hydrogen 3.373 N/A GLU 322.A N ARG 318.A O no hydrogen 2.964 N/A GLN 323.A N ASP 319.A O no hydrogen 2.939 N/A ILE 324.A N GLU 320.A O no hydrogen 3.167 N/A GLU 325.A N GLN 321.A O no hydrogen 3.286 N/A LEU 326.A N GLU 322.A O no hydrogen 2.870 N/A ILE 327.A N GLN 323.A O no hydrogen 2.562 N/A ARG 328.A N ILE 324.A O no hydrogen 2.976 N/A LYS 330.A NZ THR 331.A O no hydrogen 2.693 N/A