Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 5.A OD2 no hydrogen 2.746 N/A VAL 6.A N THR 2.A O no hydrogen 2.968 N/A ALA 7.A N ILE 3.A O no hydrogen 2.864 N/A LYS 8.A N LYS 4.A O no hydrogen 3.136 N/A ARG 9.A N ASP 5.A O no hydrogen 3.073 N/A ALA 10.A N VAL 6.A O no hydrogen 2.885 N/A ASN 11.A N LYS 8.A O no hydrogen 3.116 N/A VAL 12.A N ALA 7.A O no hydrogen 2.768 N/A SER 13.A OG THR 15.A OG1 no hydrogen 3.384 N/A THR 15.A OG1 SER 13.A OG no hydrogen 3.384 N/A THR 16.A N SER 13.A OG no hydrogen 3.108 N/A VAL 17.A N SER 13.A O no hydrogen 2.889 N/A SER 18.A N THR 14.A O no hydrogen 2.748 N/A HIS 19.A N THR 15.A O no hydrogen 2.943 N/A VAL 20.A N THR 16.A O no hydrogen 2.916 N/A ILE 21.A N VAL 17.A O no hydrogen 2.989 N/A ASN 22.A N SER 18.A O no hydrogen 2.978 N/A ASN 22.A ND2 SER 18.A O no hydrogen 2.297 N/A LYS 23.A NZ VAL 20.A O no hydrogen 2.767 N/A THR 24.A N HIS 19.A O no hydrogen 3.080 N/A ARG 32.A N ALA 28.A O no hydrogen 2.463 N/A ARG 32.A NE VAL 27.A O no hydrogen 3.238 N/A ARG 32.A NH2 VAL 27.A O no hydrogen 3.238 N/A ASN 33.A N GLU 29.A O no hydrogen 2.609 N/A ALA 34.A N GLU 30.A O no hydrogen 3.231 N/A VAL 35.A N THR 31.A O no hydrogen 3.228 N/A TRP 36.A N ARG 32.A O no hydrogen 2.887 N/A ALA 37.A N ASN 33.A O no hydrogen 2.604 N/A ALA 38.A N ALA 34.A O no hydrogen 2.570 N/A ILE 39.A N VAL 35.A O no hydrogen 2.727 N/A LYS 40.A N TRP 36.A O no hydrogen 2.760 N/A GLU 41.A N ALA 37.A O no hydrogen 3.203 N/A GLU 41.A N ALA 38.A O no hydrogen 3.035 N/A LEU 42.A N ALA 38.A O no hydrogen 3.070 N/A TYR 44.A N ILE 39.A O no hydrogen 2.923 N/A SER 45.A OG PRO 46.A O no hydrogen 3.559 N/A VAL 49.A N SER 47.A OG no hydrogen 3.044 N/A ALA 50.A N SER 47.A OG no hydrogen 2.999 N/A ARG 51.A N SER 47.A O no hydrogen 2.845 N/A SER 52.A N ALA 48.A O no hydrogen 2.707 N/A SER 52.A OG ALA 48.A O no hydrogen 2.718 N/A SER 52.A OG HIS 57.A O no hydrogen 2.996 N/A LEU 53.A N VAL 49.A O no hydrogen 2.827 N/A LYS 54.A N ALA 50.A O no hydrogen 3.090 N/A VAL 55.A N ARG 51.A O no hydrogen 2.989 N/A ASN 56.A N SER 52.A O no hydrogen 2.655 N/A THR 58.A N ASP 116.A OD1 no hydrogen 2.690 N/A THR 58.A OG1 ARG 114.A O no hydrogen 3.450 N/A THR 58.A OG1 ASP 116.A OD1 no hydrogen 3.352 N/A THR 58.A OG1 ASP 116.A OD2 no hydrogen 3.314 N/A LYS 59.A N ASP 116.A OD2 no hydrogen 2.255 N/A SER 60.A N ASP 116.A OD2 no hydrogen 3.268 N/A ILE 61.A N THR 90.A O no hydrogen 2.750 N/A GLY 62.A N GLY 117.A O no hydrogen 3.207 N/A LEU 63.A N ILE 92.A O no hydrogen 2.848 N/A LEU 64.A N LEU 119.A O no hydrogen 2.767 N/A ALA 65.A N GLY 94.A O no hydrogen 2.745 N/A THR 66.A OG1 MET 121.A O no hydrogen 2.656 N/A THR 66.A OG1 SER 123.A OG no hydrogen 2.962 N/A SER 68.A OG ASN 95.A OD1 no hydrogen 2.833 N/A TYR 72.A OH GLN 291.A OE1 no hydrogen 3.124 N/A ALA 74.A N ALA 70.A O no hydrogen 2.651 N/A GLU 75.A N ALA 71.A O no hydrogen 3.115 N/A ILE 76.A N TYR 72.A O no hydrogen 3.163 N/A ILE 77.A N PHE 73.A O no hydrogen 2.929 N/A GLU 78.A N ALA 74.A O no hydrogen 2.927 N/A ALA 79.A N ILE 76.A O no hydrogen 2.537 N/A VAL 80.A N ILE 76.A O no hydrogen 3.013 N/A GLU 81.A N ILE 77.A O no hydrogen 2.832 N/A LYS 82.A N GLU 78.A O no hydrogen 2.922 N/A ASN 83.A N ALA 79.A O no hydrogen 2.957 N/A ASN 83.A ND2 ALA 79.A O no hydrogen 2.861 N/A CYS 84.A N VAL 80.A O no hydrogen 2.952 N/A CYS 84.A SG VAL 80.A O no hydrogen 3.371 N/A PHE 85.A N GLU 81.A O no hydrogen 3.134 N/A GLN 86.A N LYS 82.A O no hydrogen 3.225 N/A LYS 87.A N ASN 83.A O no hydrogen 3.310 N/A GLY 88.A N PHE 85.A O no hydrogen 3.136 N/A ILE 92.A N ILE 61.A O no hydrogen 2.884 N/A GLY 94.A N LEU 63.A O no hydrogen 2.941 N/A ALA 96.A N ALA 65.A O no hydrogen 2.934 N/A TRP 97.A N THR 66.A O no hydrogen 2.817 N/A ASN 98.A ND2 CYS 122.A O no hydrogen 3.087 N/A ASN 99.A N ALA 96.A O no hydrogen 2.668 N/A GLN 103.A N ASN 99.A O no hydrogen 2.526 N/A ARG 104.A N LEU 100.A O no hydrogen 2.549 N/A ALA 105.A N GLU 101.A O no hydrogen 2.636 N/A TYR 106.A N LYS 102.A O no hydrogen 2.996 N/A LEU 107.A N GLN 103.A O no hydrogen 3.146 N/A SER 108.A N ARG 104.A O no hydrogen 2.968 N/A MET 109.A N ALA 105.A O no hydrogen 3.200 N/A MET 110.A N TYR 106.A O no hydrogen 2.935 N/A MET 110.A N LEU 107.A O no hydrogen 3.025 N/A ALA 111.A N LEU 107.A O no hydrogen 3.228 N/A GLN 112.A N SER 108.A O no hydrogen 3.056 N/A LYS 113.A N MET 109.A O no hydrogen 2.886 N/A ARG 114.A N ALA 111.A O no hydrogen 2.417 N/A ARG 114.A NH1 ALA 111.A O no hydrogen 2.862 N/A VAL 115.A N MET 110.A O no hydrogen 3.330 N/A ASP 116.A N SER 60.A O no hydrogen 2.799 N/A LEU 118.A N PRO 140.A O no hydrogen 2.664 N/A LEU 119.A N GLY 62.A O no hydrogen 2.775 N/A VAL 120.A N VAL 142.A O no hydrogen 2.922 N/A MET 121.A N LEU 64.A O no hydrogen 3.184 N/A CYS 122.A N TYR 125.A OH no hydrogen 2.884 N/A CYS 122.A SG LEU 64.A O no hydrogen 3.902 N/A SER 123.A N ASP 145.A OD2 no hydrogen 3.071 N/A SER 123.A OG THR 66.A OG1 no hydrogen 2.962 N/A TYR 125.A OH ASP 145.A OD1 no hydrogen 2.647 N/A LEU 129.A N PRO 126.A O no hydrogen 2.937 N/A LEU 130.A N PRO 126.A O no hydrogen 2.878 N/A ALA 131.A N GLU 127.A O no hydrogen 2.566 N/A MET 132.A N PRO 128.A O no hydrogen 3.167 N/A LEU 133.A N LEU 129.A O no hydrogen 2.938 N/A GLU 134.A N LEU 130.A O no hydrogen 3.068 N/A GLU 135.A N ALA 131.A O no hydrogen 3.392 N/A TYR 136.A N LEU 133.A O no hydrogen 2.970 N/A ARG 137.A N GLU 134.A O no hydrogen 2.520 N/A ARG 137.A NH1 GLU 134.A OE2 no hydrogen 2.487 N/A ILE 139.A N TYR 136.A O no hydrogen 2.800 N/A VAL 142.A N LEU 118.A O no hydrogen 2.872 N/A VAL 143.A N ASP 155.A O no hydrogen 2.840 N/A MET 144.A N VAL 120.A O no hydrogen 2.871 N/A LYS 150.A NZ GLU 148.A OE2 no hydrogen 2.644 N/A ASP 155.A N MET 141.A O no hydrogen 3.141 N/A ALA 156.A N GLN 316.A O no hydrogen 2.909 N/A VAL 157.A N VAL 143.A O no hydrogen 3.363 N/A ILE 158.A N ILE 318.A O no hydrogen 2.614 N/A ASN 160.A ND2 VAL 320.A O no hydrogen 2.665 N/A GLY 164.A N ASN 160.A O no hydrogen 3.181 N/A GLY 165.A N ALA 161.A O no hydrogen 3.031 N/A TYR 166.A N PHE 162.A O no hydrogen 2.894 N/A TYR 166.A OH GLU 205.A OE1 no hydrogen 2.364 N/A TYR 166.A OH GLU 205.A OE2 no hydrogen 2.875 N/A MET 167.A N GLU 163.A O no hydrogen 2.827 N/A ALA 168.A N GLY 164.A O no hydrogen 2.853 N/A GLY 169.A N GLY 165.A O no hydrogen 3.165 N/A ARG 170.A N TYR 166.A O no hydrogen 3.027 N/A ARG 170.A NE GLU 174.A OE2 no hydrogen 3.286 N/A ARG 170.A NH2 GLU 174.A OE2 no hydrogen 2.413 N/A TYR 171.A N MET 167.A O no hydrogen 3.135 N/A TYR 171.A OH GLU 326.A OE2 no hydrogen 2.837 N/A LEU 172.A N ALA 168.A O no hydrogen 3.182 N/A ILE 173.A N GLY 169.A O no hydrogen 2.841 N/A GLU 174.A N ARG 170.A O no hydrogen 2.599 N/A ARG 175.A N LEU 172.A O no hydrogen 2.858 N/A ARG 175.A NE TYR 171.A OH no hydrogen 3.322 N/A ARG 175.A NH1 ASP 332.A OD1 no hydrogen 2.879 N/A ARG 175.A NH2 TYR 171.A OH no hydrogen 3.398 N/A GLY 176.A N ILE 173.A O no hydrogen 2.932 N/A HIS 177.A N LEU 172.A O no hydrogen 3.351 N/A HIS 177.A ND1 THR 240.A OG1 no hydrogen 2.353 N/A HIS 177.A NE2 ALA 331.A O no hydrogen 2.770 N/A ARG 178.A NH2 ALA 206.A O no hydrogen 3.239 N/A ARG 178.A NH2 MET 207.A O no hydrogen 3.428 N/A GLY 181.A N ALA 241.A O no hydrogen 2.781 N/A VAL 182.A N TRP 214.A O no hydrogen 3.071 N/A ILE 183.A N PHE 243.A O no hydrogen 3.240 N/A ALA 189.A N PRO 186.A O no hydrogen 3.143 N/A ASN 190.A ND2 ASP 159.A OD1 no hydrogen 3.274 N/A GLY 192.A N ALA 189.A O no hydrogen 3.113 N/A GLY 194.A N ASN 190.A O no hydrogen 2.506 N/A ARG 195.A NH1 GLY 245.A O no hydrogen 2.845 N/A ARG 195.A NH1 ASP 274.A OD1 no hydrogen 2.612 N/A ARG 195.A NH2 ASP 274.A OD1 no hydrogen 2.529 N/A LEU 196.A N GLY 192.A O no hydrogen 3.197 N/A ALA 197.A N ALA 193.A O no hydrogen 3.016 N/A GLY 198.A N GLY 194.A O no hydrogen 3.018 N/A PHE 199.A N ARG 195.A O no hydrogen 2.998 N/A MET 200.A N LEU 196.A O no hydrogen 2.813 N/A LYS 201.A N ALA 197.A O no hydrogen 3.102 N/A LYS 201.A N GLY 198.A O no hydrogen 3.236 N/A GLU 204.A N MET 200.A O no hydrogen 3.228 N/A GLU 205.A N LYS 201.A O no hydrogen 2.769 N/A MET 207.A N GLU 204.A O no hydrogen 2.850 N/A ILE 208.A N MET 203.A O no hydrogen 2.643 N/A TRP 214.A N PRO 211.A O no hydrogen 2.701 N/A ILE 215.A N GLU 212.A O no hydrogen 2.976 N/A VAL 216.A N VAL 182.A O no hydrogen 2.634 N/A GLN 217.A NE2 GLY 218.A O no hydrogen 3.369 N/A GLY 218.A N PRO 184.A O no hydrogen 2.461 N/A ASP 219.A N SER 224.A OG no hydrogen 2.880 N/A GLU 221.A N ASP 219.A OD1 no hydrogen 2.532 N/A SER 224.A OG ASP 219.A OD1 no hydrogen 2.773 N/A SER 224.A OG GLU 221.A O no hydrogen 2.516 N/A GLY 225.A N GLU 221.A O no hydrogen 3.066 N/A TYR 226.A N PRO 222.A O no hydrogen 3.086 N/A TYR 226.A OH GLU 259.A OE1 no hydrogen 2.368 N/A ARG 227.A N GLU 223.A O no hydrogen 2.858 N/A ALA 228.A N SER 224.A O no hydrogen 2.808 N/A MET 229.A N GLY 225.A O no hydrogen 2.854 N/A GLN 230.A N TYR 226.A O no hydrogen 2.792 N/A GLN 231.A N ARG 227.A O no hydrogen 2.748 N/A ILE 232.A N ALA 228.A O no hydrogen 2.775 N/A ILE 232.A N MET 229.A O no hydrogen 2.730 N/A LEU 233.A N MET 229.A O no hydrogen 2.895 N/A GLN 235.A NE2 GLN 231.A O no hydrogen 3.571 N/A HIS 237.A NE2 GLU 179.A OE2 no hydrogen 2.615 N/A THR 240.A N GLU 179.A O no hydrogen 2.547 N/A THR 240.A OG1 HIS 177.A ND1 no hydrogen 2.353 N/A ALA 241.A N GLU 179.A O no hydrogen 3.185 N/A VAL 242.A N SER 269.A O no hydrogen 2.926 N/A PHE 243.A N GLY 181.A O no hydrogen 2.866 N/A CYS 244.A N ILE 271.A O no hydrogen 2.564 N/A CYS 244.A SG GLY 246.A O no hydrogen 3.586 N/A GLY 245.A N ILE 183.A O no hydrogen 3.084 N/A ASP 247.A N TYR 273.A O no hydrogen 2.913 N/A ALA 250.A N GLY 246.A O no hydrogen 2.967 N/A MET 251.A N ASP 247.A O no hydrogen 2.612 N/A GLY 252.A N ILE 248.A O no hydrogen 2.992 N/A ALA 253.A N MET 249.A O no hydrogen 2.828 N/A LEU 254.A N ALA 250.A O no hydrogen 2.769 N/A CYS 255.A N MET 251.A O no hydrogen 3.231 N/A CYS 255.A SG GLU 259.A OE2 no hydrogen 3.038 N/A ALA 256.A N GLY 252.A O no hydrogen 3.416 N/A ALA 257.A N ALA 253.A O no hydrogen 3.240 N/A ASP 258.A N LEU 254.A O no hydrogen 3.119 N/A GLU 259.A N CYS 255.A O no hydrogen 2.959 N/A MET 260.A N ALA 256.A O no hydrogen 3.012 N/A MET 260.A N ALA 257.A O no hydrogen 2.800 N/A GLY 261.A N ASP 258.A O no hydrogen 2.688 N/A LEU 262.A N ALA 257.A O no hydrogen 2.704 N/A ARG 263.A N ASP 267.A OD2 no hydrogen 2.247 N/A GLN 266.A N GLN 266.A OE1 no hydrogen 2.416 N/A ASP 267.A N ARG 263.A O no hydrogen 2.243 N/A VAL 268.A N ARG 263.A O no hydrogen 2.892 N/A SER 269.A N THR 240.A O no hydrogen 3.066 N/A SER 269.A OG SER 329.A O no hydrogen 3.110 N/A LEU 270.A N SER 329.A O no hydrogen 2.664 N/A ILE 271.A N VAL 242.A O no hydrogen 2.731 N/A GLY 272.A N THR 287.A O no hydrogen 2.741 N/A ASP 274.A N ILE 289.A O no hydrogen 2.369 N/A ASN 275.A N ASP 247.A OD1 no hydrogen 3.482 N/A VAL 276.A N ASP 247.A OD2 no hydrogen 2.766 N/A ARG 277.A N GLU 75.A OE1 no hydrogen 3.128 N/A ALA 279.A N VAL 276.A O no hydrogen 2.977 N/A ARG 280.A NH1 ARG 280.A O no hydrogen 2.307 N/A TYR 281.A N ASN 278.A O no hydrogen 2.645 N/A PHE 282.A N ALA 279.A O no hydrogen 2.941 N/A LEU 286.A N ALA 279.A O no hydrogen 3.110 N/A THR 287.A N SER 329.A OG no hydrogen 3.166 N/A THR 288.A N ILE 325.A O no hydrogen 3.131 N/A THR 288.A OG1 ASP 247.A OD1 no hydrogen 2.670 N/A THR 288.A OG1 ILE 289.A O no hydrogen 3.310 N/A ILE 289.A N GLY 272.A O no hydrogen 3.258 N/A HIS 290.A N ARG 323.A O no hydrogen 3.066 N/A GLN 291.A N ASP 274.A O no hydrogen 3.014 N/A LYS 293.A NZ GLU 75.A OE2 no hydrogen 3.533 N/A LYS 293.A NZ GLN 291.A O no hydrogen 2.812 N/A GLY 297.A N LYS 293.A O no hydrogen 2.906 N/A GLU 298.A N ASP 294.A O no hydrogen 3.378 N/A THR 299.A N SER 295.A O no hydrogen 2.417 N/A ALA 300.A N LEU 296.A O no hydrogen 3.415 N/A ALA 300.A N GLY 297.A O no hydrogen 3.039 N/A PHE 301.A N GLY 297.A O no hydrogen 3.147 N/A ASN 302.A N GLU 298.A O no hydrogen 3.035 N/A MET 303.A N THR 299.A O no hydrogen 3.105 N/A LEU 304.A N ALA 300.A O no hydrogen 3.002 N/A LEU 305.A N PHE 301.A O no hydrogen 2.860 N/A ASP 306.A N ASN 302.A O no hydrogen 2.980 N/A ARG 307.A N MET 303.A O no hydrogen 3.046 N/A ILE 308.A N LEU 304.A O no hydrogen 2.622 N/A VAL 309.A N LEU 305.A O no hydrogen 2.459 N/A ASN 310.A N ASP 306.A O no hydrogen 2.266 N/A LYS 311.A N ILE 308.A O no hydrogen 3.441 N/A ARG 312.A N ARG 307.A O no hydrogen 3.206 N/A ARG 312.A NE ASP 306.A OD2 no hydrogen 2.439 N/A ARG 312.A NH1 ASP 155.A OD1 no hydrogen 3.462 N/A ARG 312.A NH1 ASP 155.A OD2 no hydrogen 2.884 N/A ARG 312.A NH1 GLU 314.A O no hydrogen 2.526 N/A ARG 312.A NH2 ASP 155.A OD2 no hydrogen 2.720 N/A ARG 312.A NH2 ASP 306.A OD2 no hydrogen 3.159 N/A GLN 316.A N ASP 155.A OD1 no hydrogen 2.817 N/A ILE 318.A N ALA 156.A O no hydrogen 2.663 N/A VAL 320.A N ILE 158.A O no hydrogen 2.439 N/A HIS 321.A ND1 GLU 163.A OE1 no hydrogen 2.332 N/A ARG 323.A N HIS 290.A O no hydrogen 3.150 N/A ILE 325.A N THR 288.A O no hydrogen 2.917 N/A ARG 327.A N THR 287.A OG1 no hydrogen 2.312 N/A ARG 327.A NH1 ASN 275.A OD1 no hydrogen 3.481 N/A ARG 327.A NH1 LEU 286.A O no hydrogen 2.954 N/A ARG 327.A NH2 ASN 275.A OD1 no hydrogen 3.355 N/A ARG 328.A N ALA 285.A O no hydrogen 2.730 N/A SER 329.A OG LEU 270.A O no hydrogen 2.414 N/A ALA 331.A N SER 269.A OG no hydrogen 2.705 N/A GLY 333.A N ARG 175.A O no hydrogen 2.481 N/A PHE 335.A N GLY 176.A O no hydrogen 2.840 N/A ARG 336.A N GLY 333.A O no hydrogen 3.103 N/A TYR 338.A N PHE 335.A O no hydrogen 3.081 N/A ARG 339.A N ARG 336.A O no hydrogen 2.954 N/A