Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pnr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 ASP 4.A OD2 no hydrogen 2.992 N/A VAL 5.A N THR 1.A O no hydrogen 2.792 N/A ALA 6.A N ILE 2.A O no hydrogen 2.732 N/A LYS 7.A N LYS 3.A O no hydrogen 3.213 N/A ARG 8.A N ASP 4.A O no hydrogen 3.322 N/A ARG 8.A N VAL 5.A O no hydrogen 3.172 N/A ALA 9.A N VAL 5.A O no hydrogen 3.261 N/A ASN 10.A N LYS 7.A O no hydrogen 3.296 N/A VAL 11.A N ALA 6.A O no hydrogen 2.967 N/A SER 12.A OG THR 15.A OG1 no hydrogen 3.328 N/A THR 15.A OG1 SER 12.A OG no hydrogen 3.328 N/A VAL 16.A N SER 12.A O no hydrogen 2.939 N/A SER 17.A N THR 13.A O no hydrogen 2.641 N/A HIS 18.A N THR 14.A O no hydrogen 2.884 N/A VAL 19.A N THR 15.A O no hydrogen 2.964 N/A ILE 20.A N VAL 16.A O no hydrogen 2.940 N/A ASN 21.A N SER 17.A O no hydrogen 3.016 N/A ASN 21.A ND2 SER 17.A O no hydrogen 2.339 N/A LYS 22.A N VAL 19.A O no hydrogen 3.304 N/A THR 23.A N HIS 18.A O no hydrogen 3.052 N/A ARG 31.A N ALA 27.A O no hydrogen 2.539 N/A ARG 31.A NE VAL 26.A O no hydrogen 3.245 N/A ARG 31.A NH2 VAL 26.A O no hydrogen 2.913 N/A ASN 32.A N GLU 28.A O no hydrogen 2.552 N/A ALA 33.A N GLU 29.A O no hydrogen 3.165 N/A VAL 34.A N THR 30.A O no hydrogen 3.001 N/A TRP 35.A N ARG 31.A O no hydrogen 3.243 N/A ALA 36.A N ASN 32.A O no hydrogen 2.863 N/A ALA 37.A N ALA 33.A O no hydrogen 3.142 N/A ILE 38.A N VAL 34.A O no hydrogen 2.623 N/A LYS 39.A N TRP 35.A O no hydrogen 2.522 N/A GLU 40.A N ALA 36.A O no hydrogen 2.968 N/A LEU 41.A N ALA 37.A O no hydrogen 2.775 N/A HIS 42.A N LYS 39.A O no hydrogen 2.393 N/A TYR 43.A N ILE 38.A O no hydrogen 2.942 N/A ALA 49.A N SER 46.A OG no hydrogen 2.832 N/A ARG 50.A N SER 46.A O no hydrogen 2.944 N/A SER 51.A N ALA 47.A O no hydrogen 2.804 N/A SER 51.A OG ALA 47.A O no hydrogen 2.707 N/A SER 51.A OG HIS 56.A O no hydrogen 3.253 N/A LEU 52.A N VAL 48.A O no hydrogen 2.993 N/A LYS 53.A N ALA 49.A O no hydrogen 3.171 N/A LYS 53.A N ARG 50.A O no hydrogen 3.019 N/A VAL 54.A N ARG 50.A O no hydrogen 2.969 N/A ASN 55.A N SER 51.A O no hydrogen 2.897 N/A THR 57.A N ASP 115.A OD1 no hydrogen 2.691 N/A THR 57.A OG1 SER 59.A OG no hydrogen 3.150 N/A THR 57.A OG1 ARG 113.A O no hydrogen 3.219 N/A THR 57.A OG1 ASP 115.A OD1 no hydrogen 2.914 N/A LYS 58.A N ASP 115.A OD2 no hydrogen 2.388 N/A SER 59.A OG THR 57.A OG1 no hydrogen 3.150 N/A ILE 60.A N THR 89.A O no hydrogen 2.733 N/A GLY 61.A N GLY 116.A O no hydrogen 3.219 N/A LEU 62.A N ILE 91.A O no hydrogen 2.771 N/A LEU 63.A N LEU 118.A O no hydrogen 2.827 N/A ALA 64.A N GLY 93.A O no hydrogen 2.776 N/A THR 65.A OG1 MET 120.A O no hydrogen 2.871 N/A THR 65.A OG1 SER 122.A OG no hydrogen 2.934 N/A TYR 71.A OH GLN 290.A OE1 no hydrogen 3.016 N/A ALA 73.A N ALA 69.A O no hydrogen 2.542 N/A GLU 74.A N ALA 70.A O no hydrogen 2.719 N/A GLU 74.A N TYR 71.A O no hydrogen 2.809 N/A ILE 75.A N TYR 71.A O no hydrogen 3.080 N/A ILE 76.A N PHE 72.A O no hydrogen 2.856 N/A GLU 77.A N ALA 73.A O no hydrogen 3.058 N/A ALA 78.A N GLU 74.A O no hydrogen 3.236 N/A ALA 78.A N ILE 75.A O no hydrogen 2.936 N/A VAL 79.A N ILE 75.A O no hydrogen 2.983 N/A GLU 80.A N ILE 76.A O no hydrogen 2.841 N/A LYS 81.A N GLU 77.A O no hydrogen 3.135 N/A ASN 82.A N ALA 78.A O no hydrogen 3.263 N/A ASN 82.A ND2 ALA 78.A O no hydrogen 3.143 N/A CYS 83.A N VAL 79.A O no hydrogen 3.020 N/A CYS 83.A SG VAL 79.A O no hydrogen 3.514 N/A PHE 84.A N GLU 80.A O no hydrogen 3.051 N/A GLN 85.A N LYS 81.A O no hydrogen 3.010 N/A LYS 86.A N ASN 82.A O no hydrogen 3.125 N/A GLY 87.A N PHE 84.A O no hydrogen 3.395 N/A THR 89.A N LYS 58.A O no hydrogen 3.085 N/A ILE 91.A N ILE 60.A O no hydrogen 2.755 N/A GLY 93.A N LEU 62.A O no hydrogen 2.660 N/A ALA 95.A N ALA 64.A O no hydrogen 3.001 N/A TRP 96.A N THR 65.A O no hydrogen 2.799 N/A ASN 98.A N ALA 95.A O no hydrogen 2.480 N/A GLN 102.A N ASN 98.A O no hydrogen 2.561 N/A ARG 103.A N LEU 99.A O no hydrogen 2.448 N/A ARG 103.A NH2 GLU 100.A OE1 no hydrogen 3.380 N/A ALA 104.A N GLU 100.A O no hydrogen 2.759 N/A TYR 105.A N LYS 101.A O no hydrogen 3.179 N/A LEU 106.A N GLN 102.A O no hydrogen 2.982 N/A SER 107.A N ARG 103.A O no hydrogen 3.219 N/A SER 107.A OG ALA 104.A O no hydrogen 3.256 N/A MET 108.A N ALA 104.A O no hydrogen 2.719 N/A MET 109.A N TYR 105.A O no hydrogen 2.821 N/A ALA 110.A N LEU 106.A O no hydrogen 2.891 N/A GLN 111.A N SER 107.A O no hydrogen 2.977 N/A LYS 112.A N MET 108.A O no hydrogen 2.837 N/A ARG 113.A N ALA 110.A O no hydrogen 2.371 N/A ARG 113.A NH1 ALA 110.A O no hydrogen 3.144 N/A VAL 114.A N MET 109.A O no hydrogen 3.364 N/A ASP 115.A N SER 59.A O no hydrogen 2.910 N/A LEU 117.A N PRO 139.A O no hydrogen 2.703 N/A LEU 118.A N GLY 61.A O no hydrogen 2.850 N/A VAL 119.A N VAL 141.A O no hydrogen 2.741 N/A MET 120.A N LEU 63.A O no hydrogen 3.033 N/A CYS 121.A N TYR 124.A OH no hydrogen 2.697 N/A CYS 121.A SG LEU 63.A O no hydrogen 3.724 N/A SER 122.A N ASP 144.A OD2 no hydrogen 2.953 N/A SER 122.A OG THR 65.A OG1 no hydrogen 2.934 N/A GLU 123.A N CYS 121.A O no hydrogen 2.579 N/A TYR 124.A OH ASP 144.A OD1 no hydrogen 2.596 N/A LEU 129.A N PRO 125.A O no hydrogen 2.769 N/A ALA 130.A N GLU 126.A O no hydrogen 2.752 N/A MET 131.A N PRO 127.A O no hydrogen 3.272 N/A LEU 132.A N LEU 128.A O no hydrogen 3.040 N/A GLU 133.A N LEU 129.A O no hydrogen 2.929 N/A GLU 134.A N MET 131.A O no hydrogen 2.763 N/A TYR 135.A N LEU 132.A O no hydrogen 3.048 N/A ARG 136.A N GLU 133.A O no hydrogen 3.351 N/A ARG 136.A NH1 GLU 133.A OE2 no hydrogen 2.857 N/A ILE 138.A N TYR 135.A O no hydrogen 2.455 N/A VAL 141.A N LEU 117.A O no hydrogen 2.946 N/A VAL 142.A N ASP 154.A O no hydrogen 2.877 N/A MET 143.A N VAL 119.A O no hydrogen 2.981 N/A LYS 149.A NZ GLU 147.A OE2 no hydrogen 3.361 N/A ASP 154.A N MET 140.A O no hydrogen 3.099 N/A ALA 155.A N GLN 315.A O no hydrogen 2.681 N/A VAL 156.A N VAL 142.A O no hydrogen 3.277 N/A ILE 157.A N ILE 317.A O no hydrogen 2.680 N/A ASN 159.A ND2 GLU 318.A OE1 no hydrogen 3.159 N/A ASN 159.A ND2 VAL 319.A O no hydrogen 2.479 N/A ALA 160.A N ASP 158.A OD1 no hydrogen 3.193 N/A GLY 163.A N ALA 160.A O no hydrogen 3.250 N/A GLY 164.A N ALA 160.A O no hydrogen 3.034 N/A TYR 165.A N PHE 161.A O no hydrogen 3.028 N/A TYR 165.A OH GLU 204.A OE1 no hydrogen 2.294 N/A TYR 165.A OH GLU 204.A OE2 no hydrogen 2.873 N/A MET 166.A N GLU 162.A O no hydrogen 3.279 N/A ALA 167.A N GLY 163.A O no hydrogen 3.012 N/A GLY 168.A N GLY 164.A O no hydrogen 3.082 N/A ARG 169.A N TYR 165.A O no hydrogen 3.017 N/A ARG 169.A NE GLU 173.A OE2 no hydrogen 3.031 N/A ARG 169.A NH2 GLU 173.A OE2 no hydrogen 2.694 N/A TYR 170.A N MET 166.A O no hydrogen 2.926 N/A TYR 170.A N ALA 167.A O no hydrogen 3.022 N/A TYR 170.A OH GLU 325.A OE2 no hydrogen 2.682 N/A LEU 171.A N ALA 167.A O no hydrogen 3.241 N/A ILE 172.A N GLY 168.A O no hydrogen 2.857 N/A GLU 173.A N ARG 169.A O no hydrogen 3.063 N/A ARG 174.A N LEU 171.A O no hydrogen 2.941 N/A ARG 174.A NE TYR 170.A OH no hydrogen 3.398 N/A ARG 174.A NH1 ASP 331.A OD1 no hydrogen 2.555 N/A GLY 175.A N ILE 172.A O no hydrogen 3.212 N/A HIS 176.A N LEU 171.A O no hydrogen 3.274 N/A HIS 176.A ND1 THR 239.A OG1 no hydrogen 2.680 N/A HIS 176.A NE2 ALA 330.A O no hydrogen 2.631 N/A GLY 180.A N ALA 240.A O no hydrogen 2.770 N/A VAL 181.A N TRP 213.A O no hydrogen 2.963 N/A ILE 182.A N PHE 242.A O no hydrogen 3.003 N/A ARG 188.A N PRO 185.A O no hydrogen 3.159 N/A ARG 188.A NH1 GLU 123.A OE2 no hydrogen 2.770 N/A ASN 189.A ND2 ASP 158.A OD1 no hydrogen 2.956 N/A GLY 191.A N ARG 188.A O no hydrogen 3.020 N/A ALA 192.A N ARG 188.A O no hydrogen 2.896 N/A GLY 193.A N ASN 189.A O no hydrogen 2.631 N/A ARG 194.A N GLY 191.A O no hydrogen 3.221 N/A ARG 194.A NH1 GLY 244.A O no hydrogen 2.961 N/A LEU 195.A N GLY 191.A O no hydrogen 3.408 N/A ALA 196.A N ALA 192.A O no hydrogen 2.994 N/A GLY 197.A N GLY 193.A O no hydrogen 3.293 N/A PHE 198.A N ARG 194.A O no hydrogen 3.028 N/A MET 199.A N LEU 195.A O no hydrogen 2.562 N/A LYS 200.A N ALA 196.A O no hydrogen 3.023 N/A MET 202.A N PHE 198.A O no hydrogen 3.345 N/A GLU 203.A N MET 199.A O no hydrogen 3.181 N/A GLU 204.A N LYS 200.A O no hydrogen 2.757 N/A ALA 205.A N ALA 201.A O no hydrogen 3.057 N/A ALA 205.A N MET 202.A O no hydrogen 2.771 N/A MET 206.A N GLU 203.A O no hydrogen 2.740 N/A ILE 207.A N MET 202.A O no hydrogen 2.862 N/A SER 212.A OG GLN 234.A OE1 no hydrogen 3.562 N/A TRP 213.A N PRO 210.A O no hydrogen 2.547 N/A TRP 213.A NE1 HIS 236.A O no hydrogen 3.162 N/A ILE 214.A N GLU 211.A O no hydrogen 3.371 N/A VAL 215.A N VAL 181.A O no hydrogen 2.904 N/A GLN 216.A NE2 GLY 217.A O no hydrogen 2.711 N/A GLY 217.A N PRO 183.A O no hydrogen 2.677 N/A ASP 218.A N SER 223.A OG no hydrogen 3.058 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.645 N/A SER 223.A N GLU 220.A O no hydrogen 2.474 N/A SER 223.A OG ASP 218.A OD1 no hydrogen 2.656 N/A SER 223.A OG GLU 220.A O no hydrogen 2.503 N/A GLY 224.A N GLU 220.A O no hydrogen 3.306 N/A TYR 225.A N PRO 221.A O no hydrogen 3.057 N/A TYR 225.A OH GLU 258.A OE1 no hydrogen 2.294 N/A ARG 226.A N GLU 222.A O no hydrogen 3.114 N/A ALA 227.A N SER 223.A O no hydrogen 3.195 N/A MET 228.A N GLY 224.A O no hydrogen 3.047 N/A GLN 229.A N TYR 225.A O no hydrogen 3.234 N/A GLN 230.A N ARG 226.A O no hydrogen 2.871 N/A ILE 231.A N ALA 227.A O no hydrogen 2.712 N/A LEU 232.A N MET 228.A O no hydrogen 2.859 N/A GLN 234.A NE2 SER 212.A O no hydrogen 3.652 N/A GLN 234.A NE2 GLN 230.A O no hydrogen 3.041 N/A HIS 236.A NE2 GLU 178.A OE2 no hydrogen 2.757 N/A ARG 237.A NE LEU 232.A O no hydrogen 2.978 N/A ARG 237.A NH2 LEU 232.A O no hydrogen 2.907 N/A THR 239.A N GLU 178.A O no hydrogen 2.518 N/A THR 239.A OG1 HIS 176.A ND1 no hydrogen 2.680 N/A THR 239.A OG1 GLU 178.A O no hydrogen 3.345 N/A ALA 240.A N GLU 178.A O no hydrogen 3.079 N/A VAL 241.A N SER 268.A O no hydrogen 2.843 N/A PHE 242.A N GLY 180.A O no hydrogen 2.877 N/A CYS 243.A N ILE 270.A O no hydrogen 2.749 N/A CYS 243.A SG GLY 245.A O no hydrogen 3.809 N/A GLY 244.A N ILE 182.A O no hydrogen 2.944 N/A ASP 246.A N TYR 272.A O no hydrogen 2.773 N/A ALA 249.A N GLY 245.A O no hydrogen 2.982 N/A MET 250.A N ASP 246.A O no hydrogen 2.716 N/A GLY 251.A N ILE 247.A O no hydrogen 3.058 N/A ALA 252.A N MET 248.A O no hydrogen 2.731 N/A LEU 253.A N ALA 249.A O no hydrogen 2.655 N/A CYS 254.A N MET 250.A O no hydrogen 3.302 N/A CYS 254.A SG GLU 258.A OE2 no hydrogen 3.583 N/A ALA 255.A N GLY 251.A O no hydrogen 3.436 N/A ALA 256.A N ALA 252.A O no hydrogen 3.274 N/A ASP 257.A N LEU 253.A O no hydrogen 3.227 N/A GLU 258.A N CYS 254.A O no hydrogen 2.694 N/A MET 259.A N ALA 255.A O no hydrogen 2.738 N/A GLY 260.A N ASP 257.A O no hydrogen 2.715 N/A LEU 261.A N ALA 256.A O no hydrogen 2.843 N/A ARG 262.A N ASP 266.A OD2 no hydrogen 2.641 N/A GLN 265.A N GLN 265.A OE1 no hydrogen 2.668 N/A ASP 266.A N ARG 262.A O no hydrogen 2.315 N/A VAL 267.A N ARG 262.A O no hydrogen 3.041 N/A SER 268.A N THR 239.A O no hydrogen 3.105 N/A SER 268.A OG ALA 330.A O no hydrogen 3.527 N/A LEU 269.A N SER 328.A O no hydrogen 2.773 N/A ILE 270.A N VAL 241.A O no hydrogen 2.776 N/A GLY 271.A N THR 286.A O no hydrogen 3.032 N/A TYR 272.A N ASP 246.A OD1 no hydrogen 2.782 N/A ASP 273.A N ILE 288.A O no hydrogen 2.680 N/A VAL 275.A N ASP 246.A OD2 no hydrogen 2.941 N/A ARG 276.A N GLU 74.A OE2 no hydrogen 2.655 N/A ALA 278.A N VAL 275.A O no hydrogen 3.002 N/A ARG 279.A NH1 ARG 279.A O no hydrogen 2.273 N/A TYR 280.A N ASN 277.A O no hydrogen 3.032 N/A PHE 281.A N ALA 278.A O no hydrogen 2.890 N/A LEU 285.A N ALA 278.A O no hydrogen 3.268 N/A THR 286.A N SER 328.A OG no hydrogen 3.010 N/A THR 287.A N ILE 324.A O no hydrogen 2.977 N/A THR 287.A OG1 ASP 246.A OD1 no hydrogen 2.847 N/A THR 287.A OG1 ILE 288.A O no hydrogen 3.532 N/A HIS 289.A N ARG 322.A O no hydrogen 2.496 N/A GLN 290.A N ASP 273.A O no hydrogen 3.208 N/A LYS 292.A NZ GLU 74.A OE1 no hydrogen 3.319 N/A LYS 292.A NZ ASN 274.A O no hydrogen 3.002 N/A GLY 296.A N LYS 292.A O no hydrogen 2.889 N/A GLU 297.A N ASP 293.A O no hydrogen 2.806 N/A THR 298.A N SER 294.A O no hydrogen 2.811 N/A ALA 299.A N LEU 295.A O no hydrogen 3.068 N/A PHE 300.A N GLY 296.A O no hydrogen 2.922 N/A ASN 301.A N GLU 297.A O no hydrogen 3.154 N/A MET 302.A N THR 298.A O no hydrogen 3.323 N/A LEU 303.A N ALA 299.A O no hydrogen 3.146 N/A LEU 304.A N PHE 300.A O no hydrogen 2.909 N/A ASP 305.A N ASN 301.A O no hydrogen 3.139 N/A ARG 306.A N MET 302.A O no hydrogen 2.980 N/A ARG 306.A NE ASP 154.A OD1 no hydrogen 3.289 N/A ARG 306.A NE ASP 154.A OD2 no hydrogen 3.341 N/A ARG 306.A NH2 ASP 154.A OD1 no hydrogen 3.483 N/A ILE 307.A N LEU 303.A O no hydrogen 2.756 N/A VAL 308.A N LEU 304.A O no hydrogen 2.290 N/A LYS 310.A N ILE 307.A O no hydrogen 3.233 N/A ARG 311.A NE ASP 305.A OD2 no hydrogen 2.959 N/A ARG 311.A NH1 ASP 154.A OD1 no hydrogen 3.126 N/A ARG 311.A NH1 ASP 154.A OD2 no hydrogen 2.995 N/A ARG 311.A NH1 GLU 313.A O no hydrogen 2.467 N/A ARG 311.A NH2 ASP 154.A OD2 no hydrogen 2.704 N/A ARG 311.A NH2 ASP 305.A OD2 no hydrogen 3.195 N/A ILE 317.A N ALA 155.A O no hydrogen 2.683 N/A VAL 319.A N ILE 157.A O no hydrogen 2.729 N/A HIS 320.A ND1 GLU 162.A OE2 no hydrogen 2.472 N/A ARG 322.A N HIS 289.A O no hydrogen 3.023 N/A ILE 324.A N THR 287.A O no hydrogen 2.726 N/A ARG 326.A N THR 286.A OG1 no hydrogen 2.297 N/A ARG 326.A NE LEU 285.A O no hydrogen 2.648 N/A ARG 326.A NH2 ASN 274.A OD1 no hydrogen 3.027 N/A ARG 326.A NH2 LEU 285.A O no hydrogen 3.185 N/A ARG 327.A N ALA 284.A O no hydrogen 2.596 N/A SER 328.A OG LEU 269.A O no hydrogen 2.450 N/A ALA 330.A N SER 268.A OG no hydrogen 2.670 N/A GLY 332.A N ARG 174.A O no hydrogen 2.461 N/A PHE 334.A N GLY 175.A O no hydrogen 2.715 N/A ARG 335.A N GLY 332.A O no hydrogen 3.003 N/A TYR 337.A N PHE 334.A O no hydrogen 2.983 N/A