Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wpn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASN 301.A O no hydrogen 2.805 N/A ILE 5.A N ILE 299.A O no hydrogen 3.043 N/A GLN 6.A N THR 270.A O no hydrogen 2.929 N/A VAL 7.A N ASP 53.A OD1 no hydrogen 3.007 N/A VAL 8.A N ILE 272.A O no hydrogen 2.796 N/A VAL 9.A N MET 54.A O no hydrogen 3.013 N/A ARG 10.A N ALA 274.A O no hydrogen 2.960 N/A CYS 11.A N PHE 56.A O no hydrogen 2.770 N/A CYS 11.A SG ARG 12.A O no hydrogen 3.629 N/A CYS 11.A SG ILE 276.A O no hydrogen 3.721 N/A ARG 12.A N ILE 276.A O no hydrogen 3.221 N/A ARG 12.A NH1 PRO 13.A O no hydrogen 2.741 N/A ARG 12.A NH1 GLU 18.A OE1 no hydrogen 3.024 N/A ARG 12.A NH2 GLU 18.A OE2 no hydrogen 2.774 N/A ASN 15.A N GLU 18.A OE1 no hydrogen 2.671 N/A GLU 18.A N ASN 15.A O no hydrogen 2.858 N/A ARG 19.A N ASN 15.A O no hydrogen 3.371 N/A LYS 20.A N LEU 16.A O no hydrogen 3.245 N/A SER 22.A N ARG 19.A O no hydrogen 2.735 N/A ALA 23.A N GLU 18.A O no hydrogen 3.055 N/A HIS 24.A N SER 280.A OG no hydrogen 2.998 N/A ILE 26.A N PRO 278.A O no hydrogen 2.781 N/A GLU 28.A N SER 37.A O no hydrogen 2.878 N/A CYS 29.A SG PHE 56.A O no hydrogen 3.846 N/A ASP 30.A N GLU 35.A O no hydrogen 2.776 N/A ARG 33.A N ASP 30.A OD1 no hydrogen 3.317 N/A LYS 34.A N ASP 30.A O no hydrogen 2.695 N/A GLU 35.A N ASP 30.A O no hydrogen 3.370 N/A VAL 36.A N TYR 50.A O no hydrogen 3.198 N/A SER 37.A N GLU 28.A O no hydrogen 2.842 N/A SER 37.A OG THR 49.A OG1 no hydrogen 2.718 N/A VAL 38.A N LYS 48.A O no hydrogen 2.955 N/A ARG 39.A N ILE 26.A O no hydrogen 2.996 N/A THR 40.A N SER 46.A O no hydrogen 2.963 N/A LYS 48.A N VAL 38.A O no hydrogen 3.041 N/A THR 49.A OG1 SER 37.A OG no hydrogen 2.718 N/A TYR 50.A N VAL 36.A O no hydrogen 3.000 N/A PHE 52.A N LYS 34.A O no hydrogen 3.022 N/A ASP 53.A N VAL 7.A O no hydrogen 2.881 N/A PHE 56.A N VAL 9.A O no hydrogen 2.867 N/A THR 60.A N GLY 57.A O no hydrogen 3.154 N/A GLN 62.A NE2 TYR 66.A OH no hydrogen 3.075 N/A GLN 62.A NE2 ASP 95.A O no hydrogen 2.428 N/A VAL 65.A N LYS 61.A O no hydrogen 3.268 N/A VAL 65.A N GLN 62.A O no hydrogen 3.172 N/A TYR 66.A N GLN 62.A O no hydrogen 3.090 N/A ARG 67.A N ILE 63.A O no hydrogen 2.797 N/A SER 68.A N ASP 64.A O no hydrogen 2.969 N/A VAL 69.A N TYR 66.A O no hydrogen 2.790 N/A VAL 70.A N TYR 66.A O no hydrogen 2.537 N/A CYS 71.A N ARG 67.A O no hydrogen 3.246 N/A LEU 74.A N VAL 70.A O no hydrogen 2.878 N/A ASP 75.A N CYS 71.A O no hydrogen 3.388 N/A VAL 77.A N ILE 73.A O no hydrogen 2.878 N/A ILE 78.A N LEU 74.A O no hydrogen 3.022 N/A MET 79.A N ASP 75.A O no hydrogen 2.956 N/A GLY 80.A N GLU 76.A O no hydrogen 3.114 N/A GLY 80.A N VAL 77.A O no hydrogen 2.875 N/A TYR 81.A N GLU 76.A O no hydrogen 3.100 N/A CYS 83.A N LYS 218.A O no hydrogen 2.770 N/A THR 84.A N ARG 269.A O no hydrogen 2.879 N/A THR 84.A OG1 SER 263.A OG no hydrogen 2.933 N/A ILE 85.A N ASN 220.A O no hydrogen 2.984 N/A PHE 86.A N SER 271.A O no hydrogen 2.816 N/A ALA 87.A N VAL 222.A O no hydrogen 2.727 N/A TYR 88.A N ILE 273.A O no hydrogen 2.880 N/A GLN 90.A NE2 ASP 223.A OD2 no hydrogen 2.913 N/A GLN 90.A NE2 LEU 224.A O no hydrogen 3.545 N/A LEU 97.A N ASP 223.A OD1 no hydrogen 3.067 N/A GLY 99.A N PRO 96.A O no hydrogen 3.338 N/A ILE 100.A N LEU 97.A O no hydrogen 3.275 N/A ILE 101.A N ALA 98.A O no hydrogen 3.092 N/A THR 104.A N ILE 100.A O no hydrogen 2.842 N/A THR 104.A OG1 ILE 100.A O no hydrogen 2.756 N/A LEU 105.A N ILE 101.A O no hydrogen 2.858 N/A HIS 106.A N PRO 102.A O no hydrogen 3.153 N/A GLN 107.A N ARG 103.A O no hydrogen 3.205 N/A ILE 108.A N THR 104.A O no hydrogen 3.113 N/A PHE 109.A N LEU 105.A O no hydrogen 2.804 N/A GLU 110.A N HIS 106.A O no hydrogen 2.731 N/A LYS 111.A N GLN 107.A O no hydrogen 2.752 N/A LYS 111.A NZ ASP 75.A OD1 no hydrogen 2.819 N/A LYS 111.A NZ ASP 75.A OD2 no hydrogen 2.987 N/A LEU 112.A N ILE 108.A O no hydrogen 3.059 N/A THR 113.A N PHE 109.A O no hydrogen 2.789 N/A THR 113.A OG1 PHE 109.A O no hydrogen 2.877 N/A ASP 114.A N GLU 110.A O no hydrogen 3.359 N/A ASN 115.A N LEU 112.A O no hydrogen 3.326 N/A GLY 116.A N THR 113.A O no hydrogen 2.853 N/A THR 117.A N LEU 112.A O no hydrogen 3.315 N/A THR 117.A OG1 LEU 112.A O no hydrogen 3.390 N/A THR 117.A OG1 ASN 115.A O no hydrogen 2.934 N/A SER 120.A N HIS 202.A O no hydrogen 2.951 N/A LYS 122.A N THR 200.A O no hydrogen 3.037 N/A VAL 123.A N ILE 167.A O no hydrogen 2.750 N/A SER 124.A N SER 198.A O no hydrogen 2.789 N/A SER 124.A OG GLU 166.A OE1 no hydrogen 3.104 N/A LEU 126.A N VAL 196.A O no hydrogen 3.069 N/A GLU 127.A N PHE 134.A O no hydrogen 2.911 N/A ILE 128.A N HIS 194.A O no hydrogen 2.615 N/A TYR 129.A N GLU 132.A O no hydrogen 3.009 N/A GLU 132.A N TYR 129.A O no hydrogen 2.761 N/A PHE 134.A N GLU 127.A O no hydrogen 2.938 N/A LEU 136.A N LEU 125.A O no hydrogen 2.964 N/A LEU 137.A N ASP 135.A OD1 no hydrogen 2.637 N/A ASN 138.A N ASP 135.A OD1 no hydrogen 2.875 N/A GLU 145.A N ASP 142.A O no hydrogen 3.231 N/A ARG 146.A NH1 GLU 132.A OE2 no hydrogen 2.844 N/A ARG 146.A NH2 SER 144.A O no hydrogen 3.009 N/A PHE 150.A N ILE 160.A O no hydrogen 3.308 N/A ASN 155.A N ASP 152.A O no hydrogen 2.956 N/A GLY 158.A N ASN 155.A O no hydrogen 2.691 N/A ILE 160.A N PHE 150.A O no hydrogen 3.095 N/A LYS 162.A NZ GLN 148.A O no hydrogen 3.522 N/A LEU 164.A N ILE 161.A O no hydrogen 3.437 N/A GLU 165.A N ASP 135.A OD2 no hydrogen 2.866 N/A ILE 167.A N VAL 123.A O no hydrogen 2.828 N/A VAL 169.A N VAL 121.A O no hydrogen 2.626 N/A HIS 170.A N GLU 174.A OE1 no hydrogen 3.302 N/A ASN 171.A ND2 GLU 174.A OE2 no hydrogen 2.733 N/A LYS 172.A NZ HIS 106.A ND1 no hydrogen 3.082 N/A LYS 172.A NZ GLU 110.A OE1 no hydrogen 3.303 N/A GLN 177.A N ASP 173.A O no hydrogen 3.497 N/A ILE 178.A N GLU 174.A O no hydrogen 2.829 N/A LEU 179.A N VAL 175.A O no hydrogen 2.527 N/A GLU 180.A N TYR 176.A O no hydrogen 3.007 N/A LYS 181.A N GLN 177.A O no hydrogen 3.363 N/A GLY 182.A N LEU 179.A O no hydrogen 3.126 N/A ALA 183.A N LEU 179.A O no hydrogen 3.370 N/A ALA 184.A N GLU 180.A O no hydrogen 3.158 N/A LYS 185.A N GLY 182.A O no hydrogen 3.299 N/A LYS 185.A NZ SER 141.A O no hydrogen 3.011 N/A ARG 192.A NH2 TYR 129.A OH no hydrogen 2.869 N/A SER 193.A N SER 190.A O no hydrogen 3.485 N/A SER 193.A OG SER 190.A O no hydrogen 3.179 N/A HIS 194.A N ILE 128.A O no hydrogen 3.017 N/A HIS 194.A NE2 ASN 229.A OD1 no hydrogen 2.913 N/A SER 195.A N ASP 223.A O no hydrogen 3.105 N/A VAL 196.A N LEU 126.A O no hydrogen 2.953 N/A PHE 197.A N LEU 221.A O no hydrogen 3.052 N/A SER 198.A N SER 124.A O no hydrogen 3.038 N/A SER 198.A OG ASN 220.A OD1 no hydrogen 2.697 N/A VAL 199.A N LEU 219.A O no hydrogen 2.825 N/A THR 200.A N LYS 122.A O no hydrogen 2.827 N/A ILE 201.A N GLY 217.A O no hydrogen 2.707 N/A HIS 202.A N SER 120.A O no hydrogen 3.128 N/A MET 203.A N LYS 215.A O no hydrogen 2.996 N/A LYS 204.A N GLU 118.A O no hydrogen 2.807 N/A GLU 205.A N LEU 213.A O no hydrogen 3.219 N/A THR 207.A N GLU 211.A O no hydrogen 3.194 N/A THR 207.A OG1 GLU 211.A O no hydrogen 3.525 N/A THR 207.A OG1 GLU 211.A OE1 no hydrogen 2.494 N/A ILE 208.A N THR 207.A OG1 no hydrogen 2.771 N/A GLU 211.A N ILE 208.A O no hydrogen 2.911 N/A LEU 213.A N GLU 205.A O no hydrogen 2.912 N/A VAL 214.A N LYS 308.A O no hydrogen 2.846 N/A LYS 215.A N MET 203.A O no hydrogen 3.179 N/A LYS 215.A NZ ILE 78.A O no hydrogen 3.193 N/A ILE 216.A N ASN 306.A O no hydrogen 2.961 N/A GLY 217.A N ILE 201.A O no hydrogen 2.826 N/A LYS 218.A N TYR 81.A O no hydrogen 3.416 N/A LEU 219.A N VAL 199.A O no hydrogen 2.858 N/A ASN 220.A N CYS 83.A O no hydrogen 2.844 N/A ASN 220.A ND2 THR 84.A OG1 no hydrogen 3.278 N/A LEU 221.A N PHE 197.A O no hydrogen 2.670 N/A VAL 222.A N ILE 85.A O no hydrogen 2.813 N/A ASP 223.A N SER 195.A O no hydrogen 2.979 N/A LEU 224.A N ALA 87.A O no hydrogen 2.990 N/A ALA 225.A N HIS 194.A ND1 no hydrogen 2.872 N/A SER 227.A OG GLU 285.A OE1 no hydrogen 3.073 N/A SER 227.A OG GLU 285.A OE2 no hydrogen 3.056 N/A ASN 229.A ND2 ARG 192.A O no hydrogen 3.259 N/A SER 231.A OG GLU 131.A OE2 no hydrogen 2.774 N/A LEU 232.A N ASN 229.A OD1 no hydrogen 3.459 N/A LEU 233.A N ASN 229.A O no hydrogen 2.763 N/A THR 234.A N GLN 230.A O no hydrogen 2.778 N/A THR 234.A OG1 GLN 230.A O no hydrogen 2.550 N/A THR 234.A OG1 GLU 253.A O no hydrogen 3.399 N/A LEU 235.A N SER 231.A O no hydrogen 2.781 N/A GLY 236.A N LEU 232.A O no hydrogen 2.930 N/A ARG 237.A N LEU 233.A O no hydrogen 2.990 N/A VAL 238.A N THR 234.A O no hydrogen 2.739 N/A ILE 239.A N LEU 235.A O no hydrogen 3.105 N/A THR 240.A N GLY 236.A O no hydrogen 2.970 N/A THR 240.A OG1 GLY 236.A O no hydrogen 3.315 N/A ALA 241.A N ARG 237.A O no hydrogen 2.866 N/A LEU 242.A N VAL 238.A O no hydrogen 2.911 N/A VAL 243.A N ILE 239.A O no hydrogen 3.048 N/A GLU 244.A N THR 240.A O no hydrogen 2.853 N/A THR 246.A N ALA 241.A O no hydrogen 3.267 N/A TYR 251.A N VAL 249.A O no hydrogen 2.635 N/A TYR 251.A OH LEU 264.A O no hydrogen 2.555 N/A GLU 253.A N PRO 250.A O no hydrogen 3.089 N/A SER 254.A N TYR 251.A O no hydrogen 3.469 N/A SER 254.A OG THR 257.A OG1 no hydrogen 2.522 N/A LYS 255.A N GLU 131.A OE1 no hydrogen 2.672 N/A LEU 256.A N SER 231.A OG no hydrogen 3.271 N/A THR 257.A N SER 254.A OG no hydrogen 3.247 N/A THR 257.A OG1 TYR 251.A O no hydrogen 2.822 N/A THR 257.A OG1 SER 254.A O no hydrogen 3.242 N/A THR 257.A OG1 SER 254.A OG no hydrogen 2.522 N/A ARG 258.A N SER 254.A O no hydrogen 2.938 N/A ARG 258.A N LYS 255.A O no hydrogen 3.197 N/A ILE 259.A N LYS 255.A O no hydrogen 2.837 N/A LEU 260.A N LEU 256.A O no hydrogen 3.019 N/A SER 263.A N LEU 260.A O no hydrogen 3.140 N/A SER 263.A OG THR 84.A OG1 no hydrogen 2.933 N/A LEU 264.A N GLN 261.A O no hydrogen 3.134 N/A GLY 265.A N ASN 301.A OD1 no hydrogen 2.580 N/A ARG 267.A N ASP 262.A OD1 no hydrogen 2.902 N/A ARG 267.A N ASP 262.A OD2 no hydrogen 3.170 N/A ARG 267.A NH1 GLU 304.A OE1 no hydrogen 3.135 N/A THR 268.A OG1 ASP 262.A OD2 no hydrogen 2.616 N/A ARG 269.A N ASN 82.A O no hydrogen 2.891 N/A ARG 269.A NE GLU 76.A OE1 no hydrogen 3.306 N/A ARG 269.A NH2 GLN 6.A OE1 no hydrogen 2.745 N/A THR 270.A OG1 SER 263.A O no hydrogen 2.800 N/A SER 271.A N THR 84.A O no hydrogen 2.854 N/A SER 271.A OG GLN 6.A OE1 no hydrogen 2.873 N/A ILE 272.A N GLN 6.A O no hydrogen 2.749 N/A ILE 273.A N PHE 86.A O no hydrogen 2.782 N/A ALA 274.A N VAL 8.A O no hydrogen 3.069 N/A THR 275.A N TYR 88.A O no hydrogen 2.741 N/A ILE 276.A N ARG 10.A O no hydrogen 2.866 N/A SER 277.A OG GLU 18.A OE2 no hydrogen 2.656 N/A ALA 279.A N SER 277.A OG no hydrogen 3.110 N/A SER 280.A N HIS 24.A O no hydrogen 2.770 N/A SER 280.A OG HIS 24.A ND1 no hydrogen 3.132 N/A SER 280.A OG HIS 24.A O no hydrogen 3.188 N/A ASN 282.A N ALA 279.A O no hydrogen 3.233 N/A ASN 282.A ND2 SER 277.A OG no hydrogen 3.049 N/A GLU 284.A N GLU 284.A OE1 no hydrogen 2.802 N/A THR 286.A N ASN 282.A O no hydrogen 2.854 N/A THR 286.A OG1 SER 277.A O no hydrogen 3.503 N/A THR 286.A OG1 ASN 282.A O no hydrogen 3.320 N/A LEU 287.A N LEU 283.A O no hydrogen 2.724 N/A SER 288.A N GLU 284.A O no hydrogen 2.776 N/A THR 289.A N GLU 285.A O no hydrogen 2.861 N/A THR 289.A OG1 GLU 285.A O no hydrogen 3.052 N/A LEU 290.A N THR 286.A O no hydrogen 3.157 N/A GLU 291.A N LEU 287.A O no hydrogen 3.133 N/A TYR 292.A N SER 288.A O no hydrogen 3.155 N/A ALA 293.A N THR 289.A O no hydrogen 2.904 N/A HIS 294.A N LEU 290.A O no hydrogen 2.834 N/A ARG 295.A N GLU 291.A O no hydrogen 2.827 N/A ARG 295.A NH2 THR 240.A OG1 no hydrogen 3.140 N/A ALA 296.A N TYR 292.A O no hydrogen 2.718 N/A LYS 297.A N ALA 293.A O no hydrogen 3.130 N/A ASN 298.A N ARG 295.A O no hydrogen 2.769 N/A ILE 299.A N ALA 296.A O no hydrogen 2.943 N/A ASN 301.A N LYS 3.A O no hydrogen 2.982 N/A ASN 301.A ND2 SER 263.A O no hydrogen 3.085 N/A ASN 301.A ND2 THR 268.A O no hydrogen 2.945 N/A LYS 302.A N GLY 266.A O no hydrogen 2.885 N/A ASN 306.A N GLY 80.A O no hydrogen 2.890 N/A ASN 306.A ND2 ILE 216.A O no hydrogen 3.239 N/A LYS 308.A N VAL 214.A O no hydrogen 2.737 N/A