Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wbp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ASP 8.A OD2 no hydrogen 3.243 N/A LYS 5.A NZ HIS 2.A O no hydrogen 3.223 N/A GLY 7.A N VAL 16.A O no hydrogen 3.113 N/A ASP 8.A N LYS 5.A O no hydrogen 3.174 N/A PHE 10.A N TYR 14.A O no hydrogen 3.106 N/A ARG 13.A N PHE 10.A O no hydrogen 3.058 N/A ARG 13.A NE ASP 33.A OD2 no hydrogen 2.757 N/A ARG 13.A NH1 ASP 33.A OD1 no hydrogen 2.459 N/A ARG 13.A NH1 ASP 33.A OD2 no hydrogen 3.069 N/A TYR 14.A N PHE 10.A O no hydrogen 2.991 N/A TYR 14.A OH ASP 83.A OD2 no hydrogen 2.921 N/A HIS 15.A N TRP 32.A O no hydrogen 2.957 N/A HIS 15.A ND1 ASP 8.A O no hydrogen 2.927 N/A VAL 16.A N ASP 8.A O no hydrogen 3.188 N/A ILE 17.A N LEU 30.A O no hydrogen 2.637 N/A ARG 18.A N LEU 30.A O no hydrogen 3.110 N/A ARG 18.A NH2 LEU 165.A O no hydrogen 3.068 N/A LEU 20.A N VAL 28.A O no hydrogen 2.775 N/A GLY 23.A N SER 26.A O no hydrogen 3.068 N/A THR 27.A OG1 SER 26.A O no hydrogen 2.889 N/A VAL 28.A N GLY 21.A O no hydrogen 3.113 N/A TRP 29.A N MET 42.A O no hydrogen 2.894 N/A LEU 30.A N ARG 18.A O no hydrogen 2.566 N/A SER 31.A N VAL 40.A O no hydrogen 3.145 N/A TRP 32.A N HIS 15.A O no hydrogen 2.913 N/A ASP 33.A N LYS 38.A O no hydrogen 2.787 N/A ILE 34.A N ARG 13.A O no hydrogen 2.907 N/A GLY 36.A N ASP 33.A OD1 no hydrogen 3.346 N/A GLY 36.A N ASP 33.A OD2 no hydrogen 3.241 N/A LYS 38.A N ASP 33.A O no hydrogen 3.336 N/A VAL 40.A N SER 31.A O no hydrogen 2.992 N/A ALA 41.A N PHE 99.A O no hydrogen 2.725 N/A MET 42.A N TRP 29.A O no hydrogen 2.709 N/A LYS 43.A N MET 97.A O no hydrogen 2.779 N/A LYS 43.A NZ GLU 58.A OE1 no hydrogen 3.534 N/A VAL 44.A N THR 27.A O no hydrogen 2.704 N/A VAL 45.A N ILE 95.A O no hydrogen 2.877 N/A LYS 46.A N PHE 25.A O no hydrogen 2.727 N/A THR 52.A N ALA 48.A O no hydrogen 3.233 N/A THR 52.A OG1 SER 47.A O no hydrogen 3.139 N/A THR 52.A OG1 ALA 48.A O no hydrogen 2.747 N/A GLU 53.A N GLU 49.A O no hydrogen 3.098 N/A THR 54.A N HIS 50.A O no hydrogen 2.923 N/A THR 54.A OG1 HIS 50.A O no hydrogen 3.457 N/A THR 54.A OG1 TYR 51.A O no hydrogen 3.228 N/A ALA 55.A N TYR 51.A O no hydrogen 2.900 N/A LEU 56.A N THR 52.A O no hydrogen 3.399 N/A GLU 58.A N THR 54.A O no hydrogen 3.281 N/A ILE 59.A N LEU 56.A O no hydrogen 2.840 N/A ARG 60.A N LEU 56.A O no hydrogen 2.971 N/A LEU 61.A N ASP 57.A O no hydrogen 3.087 N/A LEU 62.A N GLU 58.A O no hydrogen 2.926 N/A LYS 63.A N ILE 59.A O no hydrogen 2.897 N/A SER 64.A N ARG 60.A O no hydrogen 3.118 N/A SER 64.A OG SER 68.A OG no hydrogen 3.123 N/A VAL 65.A N LEU 61.A O no hydrogen 2.843 N/A ARG 66.A N LYS 63.A O no hydrogen 2.905 N/A ARG 66.A NE LEU 81.A O no hydrogen 3.340 N/A ARG 66.A NH1 LEU 81.A O no hydrogen 3.472 N/A ASN 67.A N LYS 63.A O no hydrogen 2.804 N/A SER 68.A N SER 64.A O no hydrogen 2.689 N/A SER 68.A OG SER 64.A O no hydrogen 2.762 N/A SER 68.A OG LYS 140.A O no hydrogen 3.190 N/A ASP 72.A N ASP 69.A O no hydrogen 3.296 N/A ASN 74.A ND2 ASP 72.A OD2 no hydrogen 3.337 N/A ARG 75.A N ASP 72.A O no hydrogen 3.208 N/A ARG 75.A NE GLU 76.A OE2 no hydrogen 3.273 N/A ARG 75.A NH1 ARG 66.A O no hydrogen 2.815 N/A GLU 76.A N PRO 73.A O no hydrogen 3.411 N/A MET 77.A N ASN 74.A O no hydrogen 2.726 N/A VAL 78.A N ARG 75.A O no hydrogen 3.198 N/A VAL 79.A N ILE 190.A O no hydrogen 3.019 N/A GLN 80.A N GLU 100.A OE2 no hydrogen 3.359 N/A GLN 80.A NE2 VAL 65.A O no hydrogen 3.518 N/A GLN 80.A NE2 ARG 75.A O no hydrogen 3.431 N/A LEU 82.A N VAL 98.A O no hydrogen 2.858 N/A PHE 85.A N CYS 96.A O no hydrogen 3.004 N/A ILE 87.A N HIS 94.A O no hydrogen 3.151 N/A SER 88.A OG GLY 89.A O no hydrogen 3.461 N/A SER 88.A OG GLY 92.A O no hydrogen 3.065 N/A GLY 89.A N GLY 92.A O no hydrogen 3.133 N/A HIS 94.A N ILE 87.A O no hydrogen 2.775 N/A CYS 96.A N PHE 85.A O no hydrogen 2.800 N/A CYS 96.A SG HIS 94.A O no hydrogen 4.014 N/A MET 97.A N LYS 43.A O no hydrogen 2.870 N/A VAL 98.A N ASP 83.A O no hydrogen 2.819 N/A PHE 99.A N ALA 41.A O no hydrogen 2.910 N/A GLY 103.A N LEU 155.A O no hydrogen 2.740 N/A LEU 106.A N ILE 153.A O no hydrogen 3.143 N/A ILE 110.A N LEU 106.A O no hydrogen 2.942 N/A ILE 111.A N LEU 107.A O no hydrogen 2.861 N/A LYS 112.A N LYS 108.A O no hydrogen 2.865 N/A SER 113.A N TRP 109.A O no hydrogen 2.689 N/A SER 113.A OG ILE 110.A O no hydrogen 3.011 N/A ASN 114.A N ILE 111.A O no hydrogen 3.360 N/A TYR 115.A N ILE 110.A O no hydrogen 2.960 N/A GLN 116.A N SER 113.A O no hydrogen 3.390 N/A GLN 116.A N SER 113.A OG no hydrogen 3.281 N/A GLN 116.A NE2 ASN 114.A O no hydrogen 3.483 N/A GLY 117.A N SER 113.A OG no hydrogen 3.115 N/A LEU 118.A N LEU 239.A O no hydrogen 2.643 N/A CYS 122.A N PRO 119.A O no hydrogen 2.824 N/A CYS 122.A SG PRO 177.A O no hydrogen 3.338 N/A CYS 122.A SG GLU 179.A O no hydrogen 3.619 N/A VAL 123.A N PRO 119.A O no hydrogen 3.045 N/A LYS 124.A N LEU 120.A O no hydrogen 3.148 N/A LYS 124.A NZ TRP 347.A O no hydrogen 3.151 N/A LYS 125.A NZ GLN 128.A OE1 no hydrogen 2.914 N/A LYS 125.A NZ LEU 348.A O no hydrogen 2.857 N/A ILE 126.A N CYS 122.A O no hydrogen 2.975 N/A ILE 127.A N VAL 123.A O no hydrogen 2.917 N/A GLN 128.A N LYS 124.A O no hydrogen 2.857 N/A GLN 128.A NE2 GLN 132.A OE1 no hydrogen 3.549 N/A GLN 129.A N LYS 125.A O no hydrogen 3.038 N/A GLN 129.A NE2 LYS 125.A O no hydrogen 3.476 N/A GLN 129.A NE2 LEU 186.A O no hydrogen 3.307 N/A VAL 130.A N ILE 126.A O no hydrogen 2.894 N/A LEU 131.A N ILE 127.A O no hydrogen 2.924 N/A GLN 132.A N GLN 128.A O no hydrogen 3.121 N/A GLN 132.A N GLN 129.A O no hydrogen 2.754 N/A GLN 132.A NE2 ASN 74.A OD1 no hydrogen 3.366 N/A GLY 133.A N GLN 129.A O no hydrogen 2.958 N/A LEU 134.A N VAL 130.A O no hydrogen 2.964 N/A ASP 135.A N LEU 131.A O no hydrogen 2.906 N/A TYR 136.A N GLN 132.A O no hydrogen 3.129 N/A TYR 136.A OH VAL 65.A O no hydrogen 2.801 N/A LEU 137.A N GLY 133.A O no hydrogen 2.847 N/A HIS 138.A N LEU 134.A O no hydrogen 2.689 N/A THR 139.A N ASP 135.A O no hydrogen 2.701 N/A LYS 140.A NZ ASP 69.A OD2 no hydrogen 3.306 N/A CYS 141.A N LEU 137.A O no hydrogen 2.914 N/A CYS 141.A SG SER 68.A OG no hydrogen 3.400 N/A CYS 141.A SG TYR 136.A O no hydrogen 3.697 N/A ARG 142.A NH1 HIS 138.A O no hydrogen 3.320 N/A ILE 143.A N LEU 137.A O no hydrogen 3.465 N/A ILE 144.A N CYS 197.A O no hydrogen 2.855 N/A HIS 145.A N ASP 228.A OD2 no hydrogen 3.142 N/A THR 146.A N ASP 228.A OD1 no hydrogen 3.023 N/A THR 146.A OG1 HIS 145.A O no hydrogen 2.333 N/A THR 146.A OG1 ASN 195.A O no hydrogen 2.837 N/A LYS 149.A NZ ASP 147.A OD1 no hydrogen 3.352 N/A ASN 152.A N LYS 149.A O no hydrogen 2.994 N/A ASN 152.A ND2 ASP 147.A O no hydrogen 3.007 N/A ILE 153.A N PRO 150.A O no hydrogen 3.075 N/A LEU 154.A N LYS 189.A O no hydrogen 2.889 N/A LEU 155.A N HIS 104.A O no hydrogen 2.991 N/A SER 156.A N LYS 187.A O no hydrogen 2.844 N/A SER 156.A OG LYS 187.A O no hydrogen 2.964 N/A ASN 158.A ND2 PHE 173.A O no hydrogen 3.244 N/A TYR 161.A N ASN 158.A O no hydrogen 3.076 N/A TYR 161.A N ASN 158.A OD1 no hydrogen 2.769 N/A ILE 162.A N ASN 158.A O no hydrogen 3.332 N/A ARG 163.A N GLU 159.A O no hydrogen 2.827 N/A ARG 164.A N GLN 160.A O no hydrogen 2.997 N/A ARG 164.A NH2 GLU 168.A OE1 no hydrogen 2.354 N/A LEU 165.A N ILE 162.A O no hydrogen 2.823 N/A ALA 166.A N ILE 162.A O no hydrogen 2.897 N/A ALA 167.A N ARG 163.A O no hydrogen 2.797 N/A GLU 168.A N LEU 165.A O no hydrogen 3.055 N/A ALA 169.A N ALA 166.A O no hydrogen 2.887 N/A THR 170.A OG1 ALA 167.A O no hydrogen 3.110 N/A ASN 182.A N GLU 179.A O no hydrogen 3.029 N/A LYS 185.A N ASN 182.A O no hydrogen 2.653 N/A LEU 186.A N ASN 182.A O no hydrogen 2.843 N/A VAL 188.A N GLN 129.A OE1 no hydrogen 2.853 N/A LYS 189.A N LEU 154.A O no hydrogen 2.812 N/A LYS 189.A NZ GLU 76.A O no hydrogen 2.689 N/A LYS 189.A NZ VAL 78.A O no hydrogen 3.466 N/A ILE 190.A N MET 77.A O no hydrogen 2.750 N/A ALA 191.A N ASN 152.A O no hydrogen 2.949 N/A ALA 196.A N LEU 193.A O no hydrogen 3.281 N/A CYS 197.A N ILE 144.A O no hydrogen 2.925 N/A CYS 197.A SG TRP 198.A O no hydrogen 3.540 N/A TRP 198.A N LYS 201.A O no hydrogen 2.942 N/A VAL 199.A N ARG 142.A O no hydrogen 2.848 N/A LYS 201.A N TRP 198.A O no hydrogen 3.291 N/A ASP 206.A N THR 204.A OG1 no hydrogen 3.198 N/A GLN 208.A NE2 SER 214.A OG no hydrogen 3.344 N/A THR 209.A OG1 ASP 147.A OD1 no hydrogen 3.383 N/A THR 209.A OG1 ASP 147.A OD2 no hydrogen 2.651 N/A ARG 210.A NH1 ASP 257.A OD1 no hydrogen 2.887 N/A ARG 210.A NH2 ASP 257.A OD1 no hydrogen 3.505 N/A TYR 212.A N THR 209.A O no hydrogen 2.749 N/A TYR 212.A OH GLU 238.A OE1 no hydrogen 3.399 N/A TYR 212.A OH GLU 238.A OE2 no hydrogen 2.623 N/A ARG 213.A N ARG 210.A O no hydrogen 2.661 N/A ARG 213.A NE ILE 207.A O no hydrogen 2.854 N/A ARG 213.A NE GLN 208.A O no hydrogen 2.871 N/A ARG 213.A NH2 GLN 208.A O no hydrogen 2.410 N/A GLU 216.A N GLU 216.A OE2 no hydrogen 2.825 N/A LEU 218.A N SER 214.A O no hydrogen 3.038 N/A ILE 219.A N LEU 215.A O no hydrogen 3.189 N/A GLY 220.A N VAL 217.A O no hydrogen 3.208 N/A SER 221.A N GLU 216.A O no hydrogen 2.783 N/A TYR 223.A OH THR 204.A O no hydrogen 2.668 N/A ALA 227.A N ASN 224.A O no hydrogen 2.824 N/A ASP 228.A N THR 225.A O no hydrogen 2.994 N/A TRP 230.A N PRO 226.A O no hydrogen 3.102 N/A SER 231.A N ALA 227.A O no hydrogen 3.259 N/A SER 231.A OG TYR 212.A O no hydrogen 2.918 N/A SER 231.A OG ALA 227.A O no hydrogen 3.014 N/A THR 232.A N ASP 228.A O no hydrogen 2.723 N/A THR 232.A OG1 ASP 228.A O no hydrogen 2.952 N/A ALA 233.A N ILE 229.A O no hydrogen 2.897 N/A CYS 234.A N TRP 230.A O no hydrogen 3.226 N/A CYS 234.A SG GLN 211.A O no hydrogen 3.685 N/A CYS 234.A SG TRP 230.A O no hydrogen 3.275 N/A MET 235.A N SER 231.A O no hydrogen 2.946 N/A ALA 236.A N THR 232.A O no hydrogen 2.794 N/A PHE 237.A N ALA 233.A O no hydrogen 2.904 N/A GLU 238.A N CYS 234.A O no hydrogen 3.180 N/A LEU 239.A N MET 235.A O no hydrogen 2.728 N/A ALA 240.A N ALA 236.A O no hydrogen 3.156 N/A THR 241.A N PHE 237.A O no hydrogen 2.889 N/A THR 241.A OG1 PHE 237.A O no hydrogen 2.842 N/A THR 241.A OG1 ASP 243.A O no hydrogen 3.429 N/A GLY 242.A N GLU 238.A O no hydrogen 2.628 N/A ASP 243.A N THR 241.A OG1 no hydrogen 3.250 N/A HIS 249.A N ASP 259.A OD1 no hydrogen 3.182 N/A GLY 251.A N TYR 254.A O no hydrogen 2.902 N/A GLU 258.A N THR 255.A OG1 no hydrogen 2.891 N/A ASP 259.A N THR 255.A O no hydrogen 3.441 N/A HIS 260.A N ARG 256.A O no hydrogen 3.050 N/A ILE 261.A N ASP 257.A O no hydrogen 3.154 N/A ALA 262.A N GLU 258.A O no hydrogen 2.788 N/A LEU 263.A N ASP 259.A O no hydrogen 3.047 N/A ILE 264.A N HIS 260.A O no hydrogen 3.089 N/A ILE 265.A N ILE 261.A O no hydrogen 2.867 N/A GLU 266.A N ALA 262.A O no hydrogen 2.968 N/A LEU 267.A N LEU 263.A O no hydrogen 3.149 N/A LEU 268.A N ILE 264.A O no hydrogen 2.929 N/A GLY 269.A N ILE 265.A O no hydrogen 2.450 N/A LEU 275.A N PRO 272.A O no hydrogen 3.156 N/A ILE 276.A N PRO 272.A O no hydrogen 2.960 N/A VAL 277.A N ARG 273.A O no hydrogen 3.049 N/A ALA 278.A N LEU 275.A O no hydrogen 2.771 N/A GLY 279.A N LEU 275.A O no hydrogen 3.068 N/A GLY 279.A N ILE 276.A O no hydrogen 2.904 N/A LYS 280.A N GLY 220.A O no hydrogen 2.970 N/A TYR 281.A N ILE 219.A O no hydrogen 2.963 N/A TYR 281.A OH GLU 205.A OE2 no hydrogen 2.613 N/A SER 282.A N GLY 279.A O no hydrogen 3.405 N/A SER 282.A OG ILE 276.A O no hydrogen 2.581 N/A SER 282.A OG GLY 279.A O no hydrogen 2.687 N/A GLU 284.A N TYR 281.A O no hydrogen 2.829 N/A PHE 285.A N SER 282.A O no hydrogen 2.774 N/A PHE 286.A N SER 282.A O no hydrogen 2.840 N/A THR 287.A N ASP 291.A O no hydrogen 2.808 N/A THR 287.A OG1 ASP 291.A O no hydrogen 3.144 N/A ASP 291.A N THR 287.A OG1 no hydrogen 3.368 N/A LYS 293.A N PHE 285.A O no hydrogen 3.015 N/A LYS 293.A NZ LYS 283.A O no hydrogen 3.159 N/A HIS 294.A N GLU 258.A OE1 no hydrogen 3.022 N/A TRP 301.A N GLU 266.A O no hydrogen 2.724 N/A TRP 301.A NE1 GLU 309.A OE1 no hydrogen 2.553 N/A VAL 306.A N GLY 302.A O no hydrogen 2.825 N/A LEU 307.A N LEU 303.A O no hydrogen 3.128 N/A VAL 308.A N PHE 304.A O no hydrogen 3.279 N/A GLU 309.A N GLU 305.A O no hydrogen 2.625 N/A LYS 310.A N VAL 306.A O no hydrogen 2.806 N/A LYS 310.A NZ TYR 311.A OH no hydrogen 3.366 N/A TYR 311.A N VAL 306.A O no hydrogen 3.249 N/A TYR 311.A OH ASP 243.A OD2 no hydrogen 3.268 N/A TRP 313.A N LEU 307.A O no hydrogen 2.964 N/A GLU 316.A N GLU 316.A OE2 no hydrogen 2.507 N/A GLU 317.A N SER 314.A OG no hydrogen 3.099 N/A ALA 318.A N SER 314.A O no hydrogen 2.941 N/A ALA 319.A N GLN 315.A O no hydrogen 3.112 N/A GLY 320.A N GLU 316.A O no hydrogen 3.330 N/A PHE 321.A N GLU 317.A O no hydrogen 3.106 N/A THR 322.A N ALA 318.A O no hydrogen 2.788 N/A THR 322.A OG1 ALA 318.A O no hydrogen 2.736 N/A ASP 323.A N ALA 319.A O no hydrogen 2.940 N/A PHE 324.A N PHE 321.A O no hydrogen 2.828 N/A LEU 325.A N PHE 321.A O no hydrogen 2.818 N/A LEU 326.A N THR 322.A O no hydrogen 3.341 N/A MET 328.A N LEU 325.A O no hydrogen 2.650 N/A LEU 329.A N LEU 326.A O no hydrogen 2.742 N/A GLU 334.A N GLU 334.A OE2 no hydrogen 2.600 N/A LYS 335.A N ILE 332.A O no hydrogen 2.619 N/A ARG 336.A N ILE 332.A O no hydrogen 3.003 N/A ARG 336.A NE GLU 330.A O no hydrogen 3.045 N/A ARG 336.A NH1 GLU 216.A OE1 no hydrogen 3.162 N/A ARG 336.A NH1 GLU 216.A OE2 no hydrogen 3.468 N/A ARG 336.A NH1 PRO 226.A O no hydrogen 2.797 N/A ARG 336.A NH2 GLU 216.A OE2 no hydrogen 2.994 N/A ARG 336.A NH2 GLU 330.A O no hydrogen 3.020 N/A ALA 337.A N PRO 327.A O no hydrogen 2.830 N/A THR 338.A N GLU 341.A OE1 no hydrogen 3.180 N/A GLU 341.A N THR 338.A OG1 no hydrogen 2.700 N/A CYS 342.A N THR 338.A O no hydrogen 3.016 N/A CYS 342.A SG THR 338.A O no hydrogen 3.135 N/A LEU 343.A N ALA 339.A O no hydrogen 3.246 N/A LEU 343.A N ALA 340.A O no hydrogen 3.070 N/A ARG 344.A N GLU 341.A O no hydrogen 3.176 N/A HIS 345.A N CYS 342.A O no hydrogen 3.206 N/A HIS 345.A NE2 ASP 323.A O no hydrogen 3.123 N/A TRP 347.A N HIS 345.A ND1 no hydrogen 2.804 N/A ASN 349.A N PRO 346.A O no hydrogen 2.965 N/A ASN 349.A ND2 HIS 345.A O no hydrogen 3.397 N/A