Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wpp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ALA 36.A O no hydrogen 3.497 N/A VAL 2.A N ALA 36.A O no hydrogen 2.741 N/A SER 3.A N GLY 24.A O no hydrogen 3.269 N/A GLY 5.A N LEU 26.A O no hydrogen 3.358 N/A SER 9.A N GLN 6.A O no hydrogen 3.172 N/A THR 11.A N ALA 7.A O no hydrogen 3.068 N/A THR 11.A OG1 ALA 7.A O no hydrogen 3.526 N/A THR 11.A OG1 HIS 8.A O no hydrogen 2.841 N/A SER 12.A N HIS 8.A O no hydrogen 3.182 N/A SER 12.A OG HIS 8.A O no hydrogen 2.847 N/A SER 12.A OG SER 9.A O no hydrogen 3.288 N/A LEU 13.A N SER 9.A O no hydrogen 3.243 N/A ALA 14.A N LEU 10.A O no hydrogen 2.748 N/A LYS 15.A N THR 11.A O no hydrogen 3.015 N/A THR 16.A OG1 LEU 13.A O no hydrogen 2.681 N/A TRP 17.A N LEU 13.A O no hydrogen 3.338 N/A ALA 18.A N ALA 14.A O no hydrogen 2.998 N/A ALA 19.A N LYS 15.A O no hydrogen 3.031 N/A ASN 22.A ND2 TYR 38.A O no hydrogen 3.183 N/A ASN 22.A ND2 ARG 105.A O no hydrogen 3.111 N/A GLU 23.A N ARG 105.A O no hydrogen 3.214 N/A VAL 25.A N ALA 103.A O no hydrogen 3.084 N/A LEU 26.A N SER 3.A O no hydrogen 3.092 N/A LEU 27.A N TYR 101.A O no hydrogen 2.706 N/A LYS 30.A N THR 28.A OG1 no hydrogen 3.393 N/A LYS 30.A NZ TYR 101.A OH no hydrogen 2.740 N/A LYS 32.A N ASP 64.A OD2 no hydrogen 3.139 N/A VAL 34.A N GLU 37.A O no hydrogen 2.998 N/A GLU 37.A N VAL 34.A O no hydrogen 3.136 N/A TYR 38.A N ASN 22.A OD1 no hydrogen 2.890 N/A TYR 38.A OH ASP 64.A OD2 no hydrogen 2.735 N/A ARG 39.A N HIS 43.A ND1 no hydrogen 3.206 N/A ARG 39.A NE GLU 37.A OE2 no hydrogen 2.761 N/A ARG 39.A NH2 ASP 21.A OD2 no hydrogen 3.332 N/A ARG 39.A NH2 GLU 37.A OE2 no hydrogen 2.895 N/A GLU 40.A N GLU 106.A OE1 no hydrogen 3.020 N/A GLU 41.A N TRP 44.A O no hydrogen 2.727 N/A VAL 42.A N ARG 39.A O no hydrogen 3.363 N/A HIS 43.A N ARG 39.A O no hydrogen 3.129 N/A ALA 45.A N GLU 63.A O no hydrogen 2.857 N/A THR 46.A OG1 GLU 40.A OE2 no hydrogen 3.391 N/A THR 46.A OG1 GLU 41.A OE2 no hydrogen 3.414 N/A HIS 47.A N ARG 61.A O no hydrogen 2.755 N/A LEU 51.A N VAL 59.A O no hydrogen 3.004 N/A GLY 52.A N VAL 59.A O no hydrogen 3.311 N/A GLY 54.A N GLY 57.A O no hydrogen 2.788 N/A SER 55.A OG ASP 179.A OD1 no hydrogen 3.166 N/A VAL 59.A N GLY 52.A O no hydrogen 2.754 N/A HIS 60.A N VAL 73.A O no hydrogen 2.872 N/A ARG 61.A NH1 GLN 70.A OE1 no hydrogen 3.095 N/A ARG 61.A NH1 GLU 118.A OE2 no hydrogen 2.938 N/A ARG 61.A NH2 GLU 118.A OE1 no hydrogen 2.961 N/A MET 62.A N CYS 71.A O no hydrogen 2.821 N/A ASP 64.A N PHE 69.A O no hydrogen 3.033 N/A LYS 65.A N HIS 43.A O no hydrogen 3.013 N/A LYS 65.A NZ GLU 41.A O no hydrogen 3.434 N/A THR 67.A N ASP 64.A OD1 no hydrogen 3.083 N/A THR 67.A OG1 LYS 30.A O no hydrogen 2.631 N/A GLY 68.A N ASP 64.A O no hydrogen 2.878 N/A PHE 69.A N THR 67.A OG1 no hydrogen 3.243 N/A GLN 70.A NE2 GLU 63.A OE1 no hydrogen 3.442 N/A CYS 71.A N MET 62.A O no hydrogen 3.273 N/A CYS 71.A SG ALA 72.A O no hydrogen 3.554 N/A ALA 72.A N MET 114.A O no hydrogen 2.694 N/A VAL 73.A N HIS 60.A O no hydrogen 2.738 N/A LYS 74.A N ILE 112.A O no hydrogen 2.898 N/A LYS 74.A NZ GLU 85.A OE1 no hydrogen 3.274 N/A LYS 74.A NZ GLU 85.A OE2 no hydrogen 3.417 N/A LYS 74.A NZ ASP 179.A OD1 no hydrogen 3.197 N/A LYS 75.A NZ GLU 40.A OE1 no hydrogen 3.012 N/A VAL 76.A N VAL 110.A O no hydrogen 2.818 N/A LEU 78.A N PRO 108.A O no hydrogen 2.857 N/A GLU 79.A N SER 77.A OG no hydrogen 3.235 N/A VAL 80.A N SER 77.A O no hydrogen 3.239 N/A PHE 81.A N LEU 78.A O no hydrogen 3.388 N/A ARG 82.A NH1 GLY 181.A O no hydrogen 2.997 N/A ARG 82.A NH1 ALA 183.A O no hydrogen 2.847 N/A ARG 82.A NH2 ALA 183.A O no hydrogen 2.750 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.632 N/A GLU 85.A N ARG 82.A O no hydrogen 3.133 N/A LEU 86.A N ALA 83.A O no hydrogen 3.280 N/A MET 87.A N ALA 83.A O no hydrogen 3.138 N/A ALA 88.A N GLU 84.A O no hydrogen 2.997 N/A CYS 89.A N LEU 86.A O no hydrogen 3.089 N/A CYS 89.A SG GLU 85.A O no hydrogen 3.377 N/A CYS 89.A SG LEU 86.A O no hydrogen 3.852 N/A ALA 90.A N LEU 86.A O no hydrogen 2.733 N/A THR 93.A N TYR 150.A OH no hydrogen 2.709 N/A ARG 96.A N SER 94.A OG no hydrogen 3.072 N/A ARG 96.A NE GLU 146.A OE1 no hydrogen 3.008 N/A ARG 96.A NH1 HIS 174.A ND1.B no hydrogen 3.456 N/A VAL 98.A N LEU 177.A O no hydrogen 2.939 N/A TYR 101.A N PHE 113.A O no hydrogen 2.776 N/A TYR 101.A OH GLU 115.A OE1 no hydrogen 2.639 N/A GLY 102.A N PHE 113.A O no hydrogen 3.077 N/A ALA 103.A N VAL 25.A O no hydrogen 3.099 N/A VAL 104.A N ASN 111.A O no hydrogen 2.971 N/A ARG 105.A N GLU 23.A O no hydrogen 2.731 N/A ARG 105.A NE GLU 23.A OE1 no hydrogen 3.122 N/A ARG 105.A NH1 GLY 107.A O no hydrogen 2.824 N/A ARG 105.A NH2 GLU 23.A OE1 no hydrogen 2.889 N/A GLU 106.A N ALA 109.A O no hydrogen 2.988 N/A GLY 107.A N ASP 21.A O no hydrogen 3.073 N/A VAL 110.A N VAL 76.A O no hydrogen 2.697 N/A ASN 111.A N VAL 104.A O no hydrogen 2.749 N/A ILE 112.A N LYS 74.A O no hydrogen 2.895 N/A PHE 113.A N GLY 102.A O no hydrogen 2.753 N/A MET 114.A N ALA 72.A O no hydrogen 2.765 N/A GLU 115.A N PRO 99.A O no hydrogen 3.215 N/A GLY 119.A N LEU 168.A O no hydrogen 2.911 N/A LEU 122.A N VAL 166.A O no hydrogen 2.690 N/A GLN 124.A N.A SER 121.A OG no hydrogen 3.099 N/A GLN 124.A N.B SER 121.A OG no hydrogen 3.114 N/A GLN 124.A NE2.A GLU 128.A OE2 no hydrogen 3.173 N/A LEU 125.A N SER 121.A O no hydrogen 3.262 N/A VAL 126.A N LEU 122.A O no hydrogen 3.029 N/A LYS 127.A N GLY 123.A O no hydrogen 3.003 N/A GLU 128.A N GLN 124.A O.A no hydrogen 2.981 N/A GLU 128.A N GLN 124.A O.B no hydrogen 2.978 N/A GLN 129.A N LEU 125.A O no hydrogen 2.819 N/A GLN 129.A NE2 GLY 305.A O no hydrogen 2.974 N/A CYS 131.A SG LYS 308.A O no hydrogen 3.794 N/A CYS 131.A SG GLU 309.A O no hydrogen 3.450 N/A LEU 132.A N MET 227.A O no hydrogen 2.895 N/A ARG 136.A NE TYR 140.A OH no hydrogen 3.282 N/A ARG 136.A NH1 SER 301.A O no hydrogen 2.776 N/A ARG 136.A NH2 TYR 140.A OH no hydrogen 3.262 N/A ARG 136.A NH2 GLY 172.A O no hydrogen 3.444 N/A ALA 137.A N PRO 133.A O no hydrogen 3.007 N/A LEU 138.A N GLU 134.A O no hydrogen 2.918 N/A TYR 139.A N ASP 135.A O no hydrogen 3.097 N/A TYR 139.A OH SER 173.A O no hydrogen 2.535 N/A TYR 140.A N ARG 136.A O no hydrogen 3.142 N/A TYR 140.A OH GLY 172.A O no hydrogen 2.737 N/A LEU 141.A N ALA 137.A O no hydrogen 2.947 N/A GLY 142.A N LEU 138.A O no hydrogen 2.794 N/A GLN 143.A N TYR 139.A O no hydrogen 3.245 N/A GLN 143.A NE2 SER 173.A O no hydrogen 3.127 N/A ALA 144.A N TYR 140.A O no hydrogen 2.914 N/A LEU 145.A N LEU 141.A O no hydrogen 2.990 N/A GLU 146.A N GLY 142.A O no hydrogen 3.116 N/A GLY 147.A N GLN 143.A O no hydrogen 3.238 N/A LEU 148.A N ALA 144.A O no hydrogen 2.932 N/A GLU 149.A N LEU 145.A O no hydrogen 2.738 N/A TYR 150.A N GLU 146.A O no hydrogen 3.222 N/A LEU 151.A N GLY 147.A O no hydrogen 2.917 N/A HIS 152.A N LEU 148.A O no hydrogen 2.711 N/A HIS 152.A NE2 ASP 216.A OD2 no hydrogen 3.073 N/A SER 153.A N GLU 149.A O no hydrogen 3.040 N/A SER 153.A OG GLU 149.A O no hydrogen 3.026 N/A ARG 154.A N TYR 150.A O no hydrogen 3.210 N/A ARG 154.A N LEU 151.A O no hydrogen 2.960 N/A ARG 155.A N HIS 152.A O no hydrogen 3.063 N/A ARG 155.A NE LEU 186.A O no hydrogen 2.673 N/A ARG 155.A NH2 LEU 186.A O no hydrogen 3.293 N/A ILE 156.A N LEU 151.A O no hydrogen 2.924 N/A LEU 157.A N VAL 184.A O no hydrogen 2.880 N/A HIS 158.A N ASP 216.A OD2 no hydrogen 2.731 N/A HIS 158.A NE2 CYS 178.A O no hydrogen 2.820 N/A GLY 159.A N ASP 216.A OD1 no hydrogen 2.967 N/A ASP 160.A N HIS 158.A ND1 no hydrogen 3.334 N/A LYS 162.A NZ THR 197.A OG1 no hydrogen 3.160 N/A ASN 165.A N LYS 162.A O no hydrogen 2.993 N/A ASN 165.A ND2 ASP 160.A O no hydrogen 2.625 N/A VAL 166.A N ALA 163.A O no hydrogen 3.117 N/A LEU 167.A N ALA 176.A O no hydrogen 2.813 N/A LEU 168.A N GLY 120.A O no hydrogen 2.812 N/A SER 169.A N HIS 174.A O.A no hydrogen 2.934 N/A SER 169.A N HIS 174.A O.B no hydrogen 2.909 N/A SER 169.A OG ASP 171.A OD1 no hydrogen 2.877 N/A SER 169.A OG HIS 174.A O.A no hydrogen 3.368 N/A SER 169.A OG HIS 174.A O.B no hydrogen 3.365 N/A GLY 172.A N SER 169.A O no hydrogen 3.030 N/A SER 173.A N ASP 171.A OD1 no hydrogen 3.141 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.775 N/A SER 173.A OG ASP 171.A OD2 no hydrogen 3.439 N/A SER 173.A OG HIS 174.A ND1.A no hydrogen 2.749 N/A HIS 174.A N.A SER 169.A OG no hydrogen 3.163 N/A HIS 174.A N.B SER 169.A OG no hydrogen 3.161 N/A HIS 174.A ND1.A SER 173.A OG no hydrogen 2.749 N/A ALA 175.A N GLN 143.A OE1 no hydrogen 2.732 N/A ALA 176.A N LEU 167.A O no hydrogen 2.896 N/A LEU 177.A N ARG 96.A O no hydrogen 2.935 N/A CYS 178.A N ASN 165.A O no hydrogen 2.968 N/A ALA 183.A N PHE 180.A O no hydrogen 3.206 N/A VAL 184.A N LEU 157.A O no hydrogen 3.002 N/A LEU 186.A N ARG 155.A O no hydrogen 2.974 N/A GLN 187.A N LEU 189.A O no hydrogen 2.895 N/A THR 190.A N CYS 211.A O no hydrogen 2.709 N/A THR 197.A N ASP 160.A OD1 no hydrogen 3.167 N/A THR 197.A OG1 ASP 160.A OD1 no hydrogen 2.909 N/A THR 199.A OG1 HIS 200.A ND1 no hydrogen 3.035 N/A THR 199.A OG1 HIS 232.A ND1 no hydrogen 2.749 N/A HIS 200.A N THR 197.A O no hydrogen 2.959 N/A HIS 200.A ND1 THR 199.A OG1 no hydrogen 3.035 N/A MET 201.A N GLU 198.A O no hydrogen 3.161 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.901 N/A VAL 205.A N ALA 202.A O no hydrogen 3.127 N/A VAL 206.A N ALA 202.A O no hydrogen 3.480 N/A LEU 207.A N PRO 203.A O no hydrogen 2.925 N/A GLY 208.A N VAL 205.A O no hydrogen 3.313 N/A ARG 209.A N GLU 204.A O no hydrogen 3.023 N/A CYS 211.A SG ARG 209.A O no hydrogen 3.518 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 2.977 N/A LYS 214.A NZ PRO 276.A O no hydrogen 2.920 N/A LYS 214.A NZ ARG 279.A O no hydrogen 2.781 N/A VAL 215.A N ASP 212.A O no hydrogen 3.155 N/A ASP 216.A N ALA 213.A O no hydrogen 3.158 N/A TRP 218.A N LYS 214.A O no hydrogen 3.285 N/A SER 219.A N VAL 215.A O no hydrogen 3.124 N/A SER 219.A OG HIS 200.A O no hydrogen 2.675 N/A SER 219.A OG VAL 215.A O no hydrogen 3.337 N/A SER 220.A N ASP 216.A O no hydrogen 2.915 N/A SER 220.A OG ASP 216.A O no hydrogen 3.529 N/A SER 220.A OG VAL 217.A O no hydrogen 2.636 N/A CYS 221.A N VAL 217.A O no hydrogen 3.269 N/A CYS 221.A SG VAL 217.A O no hydrogen 3.696 N/A CYS 222.A N TRP 218.A O no hydrogen 3.136 N/A CYS 222.A SG THR 199.A O no hydrogen 3.720 N/A CYS 222.A SG TRP 218.A O no hydrogen 3.579 N/A MET 223.A N SER 219.A O no hydrogen 2.923 N/A MET 224.A N SER 220.A O no hydrogen 2.953 N/A LEU 225.A N CYS 221.A O no hydrogen 2.984 N/A HIS 226.A N CYS 222.A O no hydrogen 2.994 N/A MET 227.A N MET 223.A O no hydrogen 2.936 N/A LEU 228.A N MET 224.A O no hydrogen 3.037 N/A ASN 229.A N LEU 225.A O no hydrogen 2.832 N/A ASN 229.A ND2 GLU 255.A O no hydrogen 2.760 N/A GLY 230.A N HIS 226.A O no hydrogen 2.819 N/A CYS 231.A SG ASN 229.A O no hydrogen 3.951 N/A HIS 232.A ND1 THR 199.A OG1 no hydrogen 2.749 N/A TRP 234.A N GLU 255.A OE1 no hydrogen 2.779 N/A THR 235.A OG1 HIS 232.A O no hydrogen 3.090 N/A PHE 237.A N TRP 234.A O no hydrogen 2.995 N/A PHE 238.A N TRP 234.A O no hydrogen 2.877 N/A LEU 242.A N GLU 198.A OE2 no hydrogen 3.340 N/A CYS 243.A SG GLU 198.A OE2 no hydrogen 3.481 N/A ILE 246.A N LEU 242.A O no hydrogen 2.752 N/A ALA 247.A N CYS 243.A O no hydrogen 3.144 N/A SER 248.A N LEU 244.A O no hydrogen 3.121 N/A SER 248.A OG LEU 244.A O no hydrogen 2.725 N/A GLU 249.A N LYS 245.A O no hydrogen 2.707 N/A VAL 253.A N PRO 251.A O no hydrogen 2.649 N/A GLU 255.A N PRO 252.A O no hydrogen 3.118 N/A ILE 256.A N VAL 253.A O no hydrogen 3.064 N/A CYS 260.A N PRO 257.A O no hydrogen 3.099 N/A ALA 261.A N GLU 134.A OE2 no hydrogen 2.860 N/A THR 264.A OG1 GLU 134.A OE2 no hydrogen 2.671 N/A ALA 265.A N ALA 261.A O no hydrogen 3.039 N/A GLN 266.A N PRO 262.A O no hydrogen 2.861 N/A ALA 267.A N LEU 263.A O no hydrogen 2.867 N/A ILE 268.A N THR 264.A O no hydrogen 3.055 N/A GLN 269.A N ALA 265.A O no hydrogen 3.162 N/A GLU 270.A N GLN 266.A O no hydrogen 3.156 N/A GLY 271.A N ALA 267.A O no hydrogen 3.121 N/A LEU 272.A N ILE 268.A O no hydrogen 2.971 N/A LEU 272.A N GLN 269.A O no hydrogen 3.183 N/A ARG 273.A NE GLU 270.A OE1 no hydrogen 3.536 N/A ARG 273.A NH2 GLU 270.A OE2 no hydrogen 2.810 N/A LYS 274.A NZ ILE 246.A O no hydrogen 3.323 N/A LYS 274.A NZ ALA 247.A O no hydrogen 2.649 N/A LYS 274.A NZ GLU 249.A O no hydrogen 2.668 N/A ILE 277.A N GLU 275.A OE2 no hydrogen 3.334 N/A HIS 278.A N GLU 275.A O no hydrogen 3.095 N/A ARG 279.A N PRO 276.A O no hydrogen 3.199 N/A ARG 279.A NE ARG 273.A O no hydrogen 2.754 N/A ARG 279.A NH1 GLU 204.A OE1 no hydrogen 3.563 N/A ARG 279.A NH1 GLU 204.A OE2 no hydrogen 2.683 N/A ARG 279.A NH1 LYS 214.A O no hydrogen 2.776 N/A ARG 279.A NH2 GLU 204.A OE1 no hydrogen 2.870 N/A ARG 279.A NH2 ARG 273.A O no hydrogen 2.818 N/A VAL 280.A N GLU 270.A O no hydrogen 3.399 N/A SER 281.A N GLU 284.A OE2 no hydrogen 3.041 N/A SER 281.A OG GLU 284.A OE2 no hydrogen 3.361 N/A GLU 284.A N SER 281.A OG no hydrogen 3.260 N/A LEU 285.A N SER 281.A O no hydrogen 2.851 N/A GLY 286.A N ALA 282.A O no hydrogen 2.785 N/A GLY 287.A N ALA 283.A O no hydrogen 3.254 N/A LYS 288.A N GLU 284.A O no hydrogen 3.293 N/A VAL 289.A N LEU 285.A O no hydrogen 2.943 N/A ASN 290.A N GLY 286.A O no hydrogen 3.018 N/A ARG 291.A N GLY 287.A O no hydrogen 3.089 N/A ALA 292.A N LYS 288.A O no hydrogen 2.880 N/A LEU 293.A N VAL 289.A O no hydrogen 2.850 N/A GLN 294.A N ASN 290.A O no hydrogen 3.032 N/A GLN 295.A N ARG 291.A O no hydrogen 3.019 N/A VAL 296.A N ALA 292.A O no hydrogen 3.127 N/A GLY 297.A N LEU 293.A O no hydrogen 3.269 N/A GLY 297.A N GLN 294.A O no hydrogen 3.270 N/A GLY 298.A N LEU 293.A O no hydrogen 2.771 N/A LYS 300.A N ASP 135.A OD2 no hydrogen 2.820 N/A LYS 300.A NZ GLY 297.A O no hydrogen 2.787 N/A SER 301.A N ASP 135.A OD2 no hydrogen 2.761 N/A SER 301.A OG ASP 135.A OD1 no hydrogen 2.755 N/A SER 301.A OG ASP 135.A OD2 no hydrogen 3.318 N/A TRP 303.A NE1 SER 170.A O no hydrogen 2.915 N/A ARG 304.A NH2 GLY 119.A O no hydrogen 3.049 N/A LYS 308.A N GLN 129.A O no hydrogen 3.045 N/A ARG 311.A N ASN 229.A O no hydrogen 2.920 N/A