Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ws1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 128.A OD2 no hydrogen 2.801 N/A SER 4.A OG ASP 131.A OD2 no hydrogen 2.475 N/A LEU 6.A N SER 4.A OG no hydrogen 2.995 N/A LYS 8.A NZ ASP 12.A OD1 no hydrogen 3.294 N/A GLN 11.A N PRO 7.A O no hydrogen 2.943 N/A GLN 11.A NE2 LEU 6.A O no hydrogen 2.804 N/A ASP 12.A N LYS 8.A O no hydrogen 2.898 N/A LEU 13.A N PRO 9.A O no hydrogen 3.047 N/A ILE 14.A N VAL 10.A O no hydrogen 3.015 N/A LYS 15.A N GLN 11.A O no hydrogen 2.998 N/A MET 16.A N ASP 12.A O no hydrogen 3.062 N/A ILE 17.A N LEU 13.A O no hydrogen 3.003 N/A PHE 18.A N ILE 14.A O no hydrogen 3.166 N/A ASP 19.A N MET 16.A O no hydrogen 3.423 N/A SER 22.A N ASP 19.A OD1 no hydrogen 3.136 N/A MET 23.A N ASP 19.A O no hydrogen 3.249 N/A LYS 24.A N VAL 20.A O no hydrogen 2.908 N/A LYS 24.A NZ GLU 21.A OE2 no hydrogen 3.529 N/A LYS 25.A N GLU 21.A O no hydrogen 2.759 N/A ALA 26.A N SER 22.A O no hydrogen 2.984 N/A MET 27.A N MET 23.A O no hydrogen 3.163 N/A VAL 28.A N LYS 24.A O no hydrogen 3.049 N/A GLU 29.A N LYS 25.A O no hydrogen 2.841 N/A TYR 30.A N MET 27.A O no hydrogen 3.185 N/A GLU 31.A N VAL 28.A O no hydrogen 2.973 N/A ILE 32.A N MET 27.A O no hydrogen 3.069 N/A ASP 33.A N PRO 81.A O no hydrogen 2.853 N/A LYS 36.A N ASP 33.A O no hydrogen 3.009 N/A LYS 36.A N ASP 33.A OD2 no hydrogen 3.096 N/A MET 37.A N ASP 33.A O no hydrogen 2.631 N/A LYS 41.A N PRO 38.A O no hydrogen 2.910 N/A LEU 42.A N LEU 39.A O no hydrogen 3.224 N/A GLN 46.A N SER 43.A OG no hydrogen 3.260 N/A ILE 47.A N SER 43.A O no hydrogen 3.151 N/A GLN 48.A N LYS 44.A O no hydrogen 2.760 N/A ALA 49.A N ARG 45.A O no hydrogen 2.924 N/A ALA 50.A N GLN 46.A O no hydrogen 2.974 N/A TYR 51.A N ILE 47.A O no hydrogen 2.803 N/A TYR 51.A OH ASP 106.A OD1 no hydrogen 2.514 N/A SER 52.A N GLN 48.A O no hydrogen 3.178 N/A SER 52.A OG GLN 48.A O no hydrogen 3.324 N/A ILE 53.A N ALA 49.A O no hydrogen 3.091 N/A LEU 54.A N ALA 50.A O no hydrogen 2.938 N/A SER 55.A N TYR 51.A O no hydrogen 2.860 N/A SER 55.A OG TYR 51.A O no hydrogen 3.417 N/A SER 55.A OG GLU 223.A O no hydrogen 2.657 N/A GLU 56.A N SER 52.A O no hydrogen 2.865 N/A VAL 57.A N ILE 53.A O no hydrogen 2.878 N/A GLN 58.A N LEU 54.A O no hydrogen 2.834 N/A GLN 59.A N SER 55.A O no hydrogen 3.060 N/A ALA 60.A N GLU 56.A O no hydrogen 3.035 N/A VAL 61.A N VAL 57.A O no hydrogen 3.047 N/A SER 62.A N GLN 58.A O no hydrogen 2.897 N/A SER 62.A OG GLN 58.A O no hydrogen 3.378 N/A GLN 63.A N GLN 59.A O no hydrogen 3.369 N/A GLY 64.A N VAL 61.A O no hydrogen 3.289 N/A ILE 69.A N SER 65.A O no hydrogen 2.996 N/A LEU 70.A N ASP 66.A O no hydrogen 2.966 N/A SER 73.A N ILE 69.A O no hydrogen 2.999 N/A ASN 74.A N LEU 70.A O no hydrogen 3.059 N/A ARG 75.A N ASP 71.A O no hydrogen 3.142 N/A PHE 76.A N LEU 72.A O no hydrogen 3.210 N/A TYR 77.A N SER 73.A O no hydrogen 3.210 N/A TYR 77.A OH PRO 90.A O no hydrogen 2.665 N/A THR 78.A N ASN 74.A O no hydrogen 2.931 N/A THR 78.A OG1 ASN 74.A O no hydrogen 2.784 N/A LEU 79.A N ARG 75.A O no hydrogen 3.321 N/A ILE 80.A N PHE 76.A O no hydrogen 2.982 N/A HIS 82.A ND1 ILE 80.A O no hydrogen 2.731 N/A ASP 83.A N GLU 31.A O no hydrogen 2.774 N/A LEU 92.A N SER 73.A OG no hydrogen 2.910 N/A ASN 93.A ND2 ASP 66.A OD2 no hydrogen 3.396 N/A SER 97.A N ASN 94.A OD1 no hydrogen 2.810 N/A SER 97.A OG ASN 94.A OD1 no hydrogen 3.510 N/A VAL 98.A N ASN 94.A O no hydrogen 3.268 N/A GLN 99.A N ALA 95.A O no hydrogen 2.931 N/A ALA 100.A N ASP 96.A O no hydrogen 3.018 N/A LYS 101.A N SER 97.A O no hydrogen 3.041 N/A LYS 101.A NZ HIS 82.A NE2 no hydrogen 3.109 N/A ALA 102.A N VAL 98.A O no hydrogen 2.994 N/A GLU 103.A N GLN 99.A O no hydrogen 2.966 N/A MET 104.A N ALA 100.A O no hydrogen 3.065 N/A LEU 105.A N LYS 101.A O no hydrogen 3.010 N/A ASP 106.A N ALA 102.A O no hydrogen 2.988 N/A ASN 107.A N GLU 103.A O no hydrogen 3.155 N/A ASN 107.A ND2 TYR 30.A OH no hydrogen 2.355 N/A LEU 108.A N MET 104.A O no hydrogen 2.918 N/A LEU 109.A N LEU 105.A O no hydrogen 2.837 N/A ASP 110.A N ASP 106.A O no hydrogen 3.320 N/A ILE 111.A N ASN 107.A O no hydrogen 2.948 N/A GLU 112.A N LEU 108.A O no hydrogen 2.886 N/A VAL 113.A N LEU 109.A O no hydrogen 3.235 N/A ALA 114.A N ASP 110.A O no hydrogen 3.014 N/A TYR 115.A N ILE 111.A O no hydrogen 2.884 N/A SER 116.A N GLU 112.A O no hydrogen 2.926 N/A SER 116.A OG GLU 112.A O no hydrogen 3.302 N/A SER 116.A OG VAL 113.A O no hydrogen 2.709 N/A LEU 117.A N VAL 113.A O no hydrogen 3.016 N/A LEU 117.A N ALA 114.A O no hydrogen 3.200 N/A LEU 118.A N ALA 114.A O no hydrogen 3.072 N/A ARG 119.A N TYR 115.A O no hydrogen 2.832 N/A ARG 119.A NH2 LEU 118.A O no hydrogen 3.419 N/A GLY 120.A N SER 116.A O no hydrogen 2.746 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.991 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.935 N/A LYS 127.A N ASP 124.A O no hydrogen 3.069 N/A ILE 130.A N ASP 128.A OD1 no hydrogen 2.951 N/A VAL 132.A N ASP 128.A O no hydrogen 3.126 N/A ASN 133.A N PRO 129.A O no hydrogen 2.956 N/A TYR 134.A N ILE 130.A O no hydrogen 2.884 N/A GLU 135.A N ASP 131.A O no hydrogen 3.201 N/A LYS 136.A N ASN 133.A O no hydrogen 2.992 N/A LYS 136.A NZ LEU 117.A O no hydrogen 3.094 N/A LYS 136.A NZ ASN 133.A OD1 no hydrogen 3.472 N/A LEU 137.A N TYR 134.A O no hydrogen 3.043 N/A LYS 138.A N GLU 135.A O no hydrogen 3.376 N/A THR 139.A OG1 LEU 137.A O no hydrogen 2.735 N/A ASP 140.A N GLU 180.A O no hydrogen 2.941 N/A ILE 141.A N TYR 134.A OH no hydrogen 3.166 N/A LYS 142.A N LYS 178.A O no hydrogen 2.889 N/A VAL 144.A N ILE 176.A O no hydrogen 2.775 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 2.950 N/A SER 148.A N ASP 145.A O no hydrogen 3.065 N/A SER 148.A OG ASP 145.A O no hydrogen 2.966 N/A ALA 151.A N SER 148.A OG no hydrogen 3.171 N/A GLU 152.A N SER 148.A O no hydrogen 3.100 N/A ILE 153.A N GLU 149.A O no hydrogen 3.115 N/A ILE 154.A N GLU 150.A O no hydrogen 3.118 N/A ARG 155.A N ALA 151.A O no hydrogen 2.931 N/A ARG 155.A NH1 ARG 146.A O no hydrogen 3.144 N/A ARG 155.A NH2 ARG 146.A O no hydrogen 2.717 N/A LYS 156.A N GLU 152.A O no hydrogen 3.038 N/A TYR 157.A N ILE 153.A O no hydrogen 3.056 N/A TYR 157.A OH LEU 199.A O no hydrogen 2.774 N/A VAL 158.A N ILE 154.A O no hydrogen 3.042 N/A LYS 159.A N ARG 155.A O no hydrogen 2.839 N/A ASN 160.A N LYS 156.A O no hydrogen 2.847 N/A ASN 160.A ND2 LEU 311.A O no hydrogen 2.867 N/A THR 161.A OG1 TYR 157.A O no hydrogen 2.738 N/A HIS 162.A NE2 HIS 166.A O no hydrogen 2.892 N/A ALA 163.A N SER 242.A OG no hydrogen 2.921 N/A THR 165.A OG1 TYR 326.A OH no hydrogen 2.705 N/A HIS 166.A N ALA 163.A O no hydrogen 3.043 N/A HIS 166.A ND1 SER 242.A OG no hydrogen 2.685 N/A TYR 169.A OH ASN 246.A OD1 no hydrogen 2.975 N/A ASP 170.A N ASN 348.A O no hydrogen 3.016 N/A GLU 172.A N LYS 346.A O no hydrogen 3.011 N/A ILE 174.A N LYS 344.A O no hydrogen 2.731 N/A ASP 175.A N LYS 344.A O no hydrogen 3.423 N/A PHE 177.A N LEU 342.A O no hydrogen 2.740 N/A LYS 178.A N LYS 142.A O no hydrogen 2.775 N/A LYS 178.A NZ LYS 340.A O no hydrogen 3.561 N/A ILE 179.A N LYS 340.A O no hydrogen 3.044 N/A GLU 180.A N ASP 140.A O no hydrogen 2.928 N/A ARG 181.A NH1 SER 214.A O no hydrogen 3.146 N/A ARG 181.A NH2 GLU 184.A OE2 no hydrogen 3.008 N/A GLU 182.A N LYS 138.A O no hydrogen 2.895 N/A GLU 184.A N ARG 181.A O no hydrogen 3.107 N/A CYS 185.A SG.A ASN 338.A OD1 no hydrogen 3.801 N/A ARG 187.A N GLY 183.A O no hydrogen 3.041 N/A ARG 187.A NH2 VAL 337.A O no hydrogen 3.517 N/A TYR 188.A N GLU 184.A O no hydrogen 2.979 N/A TYR 188.A N CYS 185.A O no hydrogen 3.249 N/A TYR 188.A OH GLU 263.A OE2 no hydrogen 2.894 N/A LYS 189.A N GLN 186.A O no hydrogen 3.331 N/A LYS 189.A NZ GLN 186.A OE1 no hydrogen 2.646 N/A PHE 191.A N TYR 188.A O no hydrogen 2.710 N/A LYS 192.A N LYS 189.A O no hydrogen 3.235 N/A LEU 194.A N PHE 191.A O no hydrogen 3.082 N/A ASN 196.A ND2.A GLY 267.A O no hydrogen 2.965 N/A ASN 196.A ND2.B GLY 267.A O no hydrogen 3.034 N/A ARG 197.A NE LEU 194.A O no hydrogen 2.790 N/A ARG 197.A NH1 GLU 263.A OE2 no hydrogen 3.159 N/A ARG 198.A N VAL 264.A O no hydrogen 3.037 N/A ARG 198.A NE ASN 196.A OD1.B no hydrogen 2.982 N/A ARG 198.A NH2 ASN 196.A OD1.B no hydrogen 3.046 N/A LEU 199.A N ASP 308.A O no hydrogen 2.945 N/A LEU 200.A N GLY 262.A O no hydrogen 2.989 N/A TRP 201.A N ALA 238.A O no hydrogen 2.944 N/A HIS 202.A N LEU 260.A O no hydrogen 2.931 N/A HIS 202.A ND1 TYR 236.A O no hydrogen 2.759 N/A SER 204.A OG ASN 208.A OD1 no hydrogen 2.779 N/A ASN 208.A N ARG 205.A O no hydrogen 2.930 N/A ASN 208.A ND2 ASN 107.A OD1 no hydrogen 3.415 N/A PHE 209.A N THR 206.A O no hydrogen 3.167 N/A ILE 212.A N ASN 208.A O no hydrogen 2.975 N/A LEU 213.A N PHE 209.A O no hydrogen 2.968 N/A SER 214.A N ALA 210.A O no hydrogen 2.944 N/A SER 214.A OG ALA 210.A O no hydrogen 3.391 N/A GLN 215.A N GLY 211.A O no hydrogen 2.791 N/A GLY 216.A N ILE 212.A O no hydrogen 2.664 N/A ALA 224.A N PRO 221.A O no hydrogen 2.994 N/A THR 227.A N GLN 58.A OE1 no hydrogen 3.237 N/A GLY 228.A N PRO 225.A O no hydrogen 2.811 N/A TYR 229.A OH ASP 106.A OD1 no hydrogen 2.810 N/A TYR 229.A OH ASP 106.A OD2 no hydrogen 3.374 N/A PHE 231.A N TYR 236.A OH no hydrogen 2.815 N/A GLY 232.A N TYR 229.A O no hydrogen 3.025 N/A LYS 233.A NZ PRO 221.A O no hydrogen 2.589 N/A LYS 233.A NZ ALA 224.A O no hydrogen 2.944 N/A GLY 234.A N GLY 232.A O no hydrogen 3.055 N/A ILE 235.A N VAL 331.A O no hydrogen 2.762 N/A TYR 236.A OH GLY 232.A O no hydrogen 2.719 N/A PHE 237.A N TYR 329.A O no hydrogen 2.786 N/A ALA 238.A N TRP 201.A O no hydrogen 2.991 N/A VAL 241.A N THR 161.A OG1 no hydrogen 2.986 N/A SER 242.A OG HIS 166.A ND1 no hydrogen 2.685 N/A LYS 243.A N MET 240.A O no hydrogen 3.182 N/A LYS 243.A NZ TYR 326.A O no hydrogen 2.961 N/A LYS 243.A NZ ASN 327.A O no hydrogen 3.195 N/A LYS 243.A NZ GLU 328.A OE2 no hydrogen 2.728 N/A SER 244.A N MET 240.A O no hydrogen 3.441 N/A ALA 245.A N VAL 241.A O no hydrogen 2.747 N/A ASN 246.A N SER 242.A O no hydrogen 2.955 N/A TYR 247.A N SER 244.A O no hydrogen 2.987 N/A CYS 248.A N ALA 245.A O no hydrogen 2.980 N/A CYS 248.A SG SER 204.A O no hydrogen 4.023 N/A CYS 248.A SG LEU 258.A O no hydrogen 3.164 N/A HIS 249.A N ASN 246.A O no hydrogen 3.426 N/A SER 251.A N ASP 254.A O no hydrogen 3.101 N/A GLN 252.A N GLN 252.A OE1 no hydrogen 2.664 N/A ASP 254.A N SER 251.A O no hydrogen 3.179 N/A GLY 257.A N LEU 345.A O no hydrogen 2.928 N/A ILE 259.A N LEU 343.A O no hydrogen 2.918 N/A LEU 260.A N HIS 202.A O no hydrogen 2.869 N/A LEU 261.A N TYR 341.A O no hydrogen 2.845 N/A GLY 262.A N LEU 200.A O no hydrogen 2.820 N/A GLU 263.A N ASN 338.A O no hydrogen 2.760 N/A VAL 264.A N ARG 198.A O no hydrogen 2.899 N/A ALA 265.A N GLN 336.A O no hydrogen 2.908 N/A LEU 266.A N ASN 196.A O no hydrogen 2.877 N/A ASN 268.A N HIS 286.A ND1 no hydrogen 3.292 N/A ASN 268.A ND2 GLY 284.A O no hydrogen 2.860 N/A TYR 270.A N SER 287.A O no hydrogen 2.725 N/A LEU 272.A N LYS 289.A O no hydrogen 2.859 N/A HIS 274.A ND1 SER 323.A OG no hydrogen 2.511 N/A SER 276.A N MET 230.A O no hydrogen 2.958 N/A HIS 277.A ND1 TYR 229.A O no hydrogen 2.940 N/A ILE 278.A N SER 276.A O no hydrogen 2.995 N/A LYS 285.A N PRO 282.A O no hydrogen 2.923 N/A LYS 285.A NZ ASN 268.A OD1 no hydrogen 3.550 N/A LYS 285.A NZ MET 269.A O no hydrogen 2.924 N/A HIS 286.A N ASN 268.A O no hydrogen 2.842 N/A SER 287.A OG LEU 266.A O no hydrogen 2.650 N/A VAL 288.A N ILE 330.A O no hydrogen 2.826 N/A LYS 289.A N TYR 270.A O no hydrogen 2.936 N/A GLY 290.A N GLU 328.A O no hydrogen 2.732 N/A LEU 291.A N LEU 272.A O no hydrogen 2.817 N/A GLY 292.A N ASN 327.A OD1 no hydrogen 2.765 N/A LYS 293.A N LEU 324.A O no hydrogen 3.079 N/A THR 294.A N LEU 325.A O no hydrogen 2.950 N/A THR 295.A N ILE 315.A O no hydrogen 2.897 N/A THR 295.A OG1 PRO 296.A O no hydrogen 3.369 N/A ASP 297.A N THR 313.A O no hydrogen 2.901 N/A SER 299.A N ASP 297.A OD1 no hydrogen 3.041 N/A SER 299.A OG ASP 297.A OD1 no hydrogen 2.813 N/A SER 299.A OG ASP 297.A OD2 no hydrogen 3.316 N/A ALA 300.A N ASP 297.A O no hydrogen 3.060 N/A ASN 301.A N PRO 298.A O no hydrogen 3.406 N/A ILE 302.A N VAL 309.A O no hydrogen 3.227 N/A LEU 304.A N VAL 307.A O no hydrogen 2.950 N/A VAL 307.A N LEU 304.A O no hydrogen 2.937 N/A VAL 309.A N ILE 302.A O no hydrogen 2.691 N/A LEU 311.A N VAL 309.A O no hydrogen 2.877 N/A ILE 315.A N THR 295.A O no hydrogen 2.715 N/A SER 317.A N LYS 293.A O no hydrogen 3.021 N/A SER 317.A OG GLY 292.A O no hydrogen 2.683 N/A SER 317.A OG LYS 293.A O no hydrogen 3.282 N/A GLY 318.A N SER 316.A OG no hydrogen 3.134 N/A VAL 319.A N SER 317.A OG no hydrogen 2.907 N/A THR 322.A OG1 LYS 273.A O no hydrogen 3.311 N/A THR 322.A OG1 LEU 291.A O no hydrogen 2.701 N/A SER 323.A N LYS 273.A O no hydrogen 2.873 N/A SER 323.A OG LYS 273.A O no hydrogen 3.488 N/A SER 323.A OG HIS 274.A ND1 no hydrogen 2.511 N/A LEU 324.A N THR 322.A OG1 no hydrogen 3.102 N/A TYR 326.A OH THR 165.A OG1 no hydrogen 2.705 N/A ASN 327.A ND2 ASP 239.A OD2 no hydrogen 2.898 N/A ASN 327.A ND2 THR 295.A OG1 no hydrogen 3.081 N/A GLU 328.A N GLY 290.A O no hydrogen 3.031 N/A TYR 329.A N PHE 237.A O no hydrogen 2.849 N/A TYR 329.A OH ASP 239.A OD2 no hydrogen 2.752 N/A ILE 330.A N VAL 288.A O no hydrogen 2.820 N/A VAL 331.A N ILE 235.A O no hydrogen 3.163 N/A TYR 332.A OH PHE 231.A O no hydrogen 2.611 N/A ALA 335.A N ASP 333.A OD1 no hydrogen 3.042 N/A GLN 336.A N ASP 333.A O no hydrogen 3.128 N/A GLN 336.A NE2 ALA 265.A O no hydrogen 3.027 N/A GLN 336.A NE2 HIS 286.A O no hydrogen 2.951 N/A ASN 338.A N GLU 263.A O no hydrogen 2.847 N/A ASN 338.A ND2 GLU 184.A OE1 no hydrogen 3.070 N/A LEU 339.A N GLU 184.A OE1 no hydrogen 2.694 N/A LYS 340.A N LEU 261.A O no hydrogen 3.033 N/A LYS 340.A NZ GLU 263.A OE1 no hydrogen 2.746 N/A TYR 341.A N LEU 261.A O no hydrogen 3.063 N/A TYR 341.A OH GLU 150.A OE1 no hydrogen 2.596 N/A LEU 342.A N PHE 177.A O no hydrogen 2.798 N/A LEU 343.A N ILE 259.A O no hydrogen 2.796 N/A LYS 344.A N ASP 175.A O no hydrogen 3.103 N/A LEU 345.A N GLY 257.A O no hydrogen 2.834 N/A LYS 346.A N GLU 172.A O no hydrogen 2.919 N/A PHE 347.A N PRO 255.A O no hydrogen 2.806 N/A ASN 348.A N ASP 170.A O no hydrogen 2.845 N/A LYS 350.A N ALA 168.A O no hydrogen 2.786 N/A LYS 350.A NZ ASP 170.A OD1 no hydrogen 2.558 N/A