Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 ASP 4.A OD2 no hydrogen 3.283 N/A ASP 4.A N THR 1.A O no hydrogen 2.791 N/A VAL 5.A N THR 1.A O no hydrogen 3.039 N/A VAL 5.A N ILE 2.A O no hydrogen 2.693 N/A ALA 6.A N ILE 2.A O no hydrogen 2.806 N/A LYS 7.A N LYS 3.A O no hydrogen 3.382 N/A ARG 8.A N ASP 4.A O no hydrogen 3.446 N/A ALA 9.A N VAL 5.A O no hydrogen 3.016 N/A ASN 10.A N LYS 7.A O no hydrogen 2.848 N/A ASN 10.A ND2 LYS 7.A O no hydrogen 3.699 N/A VAL 11.A N ALA 6.A O no hydrogen 2.851 N/A THR 15.A N SER 12.A OG no hydrogen 2.809 N/A VAL 16.A N SER 12.A O no hydrogen 2.983 N/A SER 17.A N THR 13.A O no hydrogen 2.599 N/A HIS 18.A N THR 14.A O no hydrogen 2.709 N/A VAL 19.A N THR 15.A O no hydrogen 2.997 N/A ILE 20.A N VAL 16.A O no hydrogen 3.012 N/A ASN 21.A N SER 17.A O no hydrogen 2.950 N/A ASN 21.A ND2 SER 17.A O no hydrogen 2.815 N/A THR 23.A N HIS 18.A O no hydrogen 3.064 N/A ARG 31.A N ALA 27.A O no hydrogen 2.593 N/A ARG 31.A NE VAL 26.A O no hydrogen 3.265 N/A ARG 31.A NH2 VAL 26.A O no hydrogen 3.234 N/A ASN 32.A N GLU 28.A O no hydrogen 2.773 N/A ALA 33.A N GLU 29.A O no hydrogen 3.285 N/A VAL 34.A N THR 30.A O no hydrogen 3.214 N/A TRP 35.A N ARG 31.A O no hydrogen 3.092 N/A ALA 36.A N ASN 32.A O no hydrogen 2.696 N/A ALA 37.A N ALA 33.A O no hydrogen 2.722 N/A ILE 38.A N VAL 34.A O no hydrogen 2.616 N/A LYS 39.A N TRP 35.A O no hydrogen 2.674 N/A LYS 39.A N ALA 36.A O no hydrogen 3.071 N/A GLU 40.A N ALA 36.A O no hydrogen 3.133 N/A LEU 41.A N ALA 37.A O no hydrogen 2.774 N/A HIS 42.A N LYS 39.A O no hydrogen 2.642 N/A TYR 43.A N ILE 38.A O no hydrogen 2.921 N/A ALA 49.A N SER 46.A OG no hydrogen 2.859 N/A ARG 50.A N SER 46.A O no hydrogen 3.040 N/A SER 51.A N ALA 47.A O no hydrogen 2.617 N/A SER 51.A OG ALA 47.A O no hydrogen 2.671 N/A SER 51.A OG HIS 56.A O no hydrogen 3.528 N/A LEU 52.A N VAL 48.A O no hydrogen 2.967 N/A LEU 52.A N ALA 49.A O no hydrogen 2.720 N/A LYS 53.A N ALA 49.A O no hydrogen 3.320 N/A VAL 54.A N ARG 50.A O no hydrogen 2.931 N/A ASN 55.A N SER 51.A O no hydrogen 3.089 N/A THR 57.A N ASP 115.A OD1 no hydrogen 2.681 N/A THR 57.A OG1 SER 59.A OG no hydrogen 3.013 N/A THR 57.A OG1 ARG 113.A O no hydrogen 2.760 N/A THR 57.A OG1 ASP 115.A OD1 no hydrogen 3.104 N/A LYS 58.A N ASP 115.A OD1 no hydrogen 3.049 N/A LYS 58.A N ASP 115.A OD2 no hydrogen 2.687 N/A SER 59.A OG THR 57.A OG1 no hydrogen 3.013 N/A ILE 60.A N THR 89.A O no hydrogen 2.725 N/A GLY 61.A N GLY 116.A O no hydrogen 3.222 N/A LEU 62.A N ILE 91.A O no hydrogen 2.666 N/A LEU 63.A N LEU 118.A O no hydrogen 2.861 N/A ALA 64.A N LEU 62.A O no hydrogen 2.989 N/A ALA 64.A N GLY 93.A O no hydrogen 2.642 N/A THR 65.A OG1 MET 120.A O no hydrogen 3.077 N/A THR 65.A OG1 SER 122.A OG no hydrogen 3.041 N/A SER 67.A OG ASN 94.A OD1 no hydrogen 3.358 N/A GLU 68.A N SER 66.A OG no hydrogen 3.364 N/A TYR 71.A OH GLN 290.A OE1 no hydrogen 3.200 N/A ALA 73.A N ALA 69.A O no hydrogen 2.755 N/A GLU 74.A N ALA 70.A O no hydrogen 2.887 N/A ILE 75.A N TYR 71.A O no hydrogen 3.262 N/A ILE 76.A N PHE 72.A O no hydrogen 3.033 N/A GLU 77.A N ALA 73.A O no hydrogen 3.029 N/A ALA 78.A N GLU 74.A O no hydrogen 3.104 N/A VAL 79.A N ILE 75.A O no hydrogen 2.894 N/A GLU 80.A N ILE 76.A O no hydrogen 2.770 N/A LYS 81.A N GLU 77.A O no hydrogen 3.041 N/A ASN 82.A N ALA 78.A O no hydrogen 3.071 N/A ASN 82.A ND2 ALA 78.A O no hydrogen 3.277 N/A CYS 83.A N VAL 79.A O no hydrogen 3.032 N/A CYS 83.A SG VAL 79.A O no hydrogen 3.606 N/A PHE 84.A N GLU 80.A O no hydrogen 2.882 N/A GLN 85.A N LYS 81.A O no hydrogen 3.262 N/A LYS 86.A N ASN 82.A O no hydrogen 3.151 N/A LYS 86.A N CYS 83.A O no hydrogen 3.252 N/A GLY 87.A N PHE 84.A O no hydrogen 3.236 N/A THR 89.A N LYS 58.A O no hydrogen 3.173 N/A ILE 91.A N ILE 60.A O no hydrogen 2.838 N/A GLY 93.A N LEU 62.A O no hydrogen 2.849 N/A ALA 95.A N ALA 64.A O no hydrogen 2.836 N/A TRP 96.A N THR 65.A O no hydrogen 2.914 N/A ASN 98.A N ALA 95.A O no hydrogen 2.673 N/A GLN 102.A N ASN 98.A O no hydrogen 2.669 N/A ARG 103.A N LEU 99.A O no hydrogen 2.666 N/A ARG 103.A NE GLU 100.A OE1 no hydrogen 3.282 N/A ALA 104.A N GLU 100.A O no hydrogen 2.750 N/A TYR 105.A N LYS 101.A O no hydrogen 2.974 N/A LEU 106.A N GLN 102.A O no hydrogen 2.850 N/A SER 107.A N ARG 103.A O no hydrogen 2.993 N/A SER 107.A OG ALA 104.A O no hydrogen 3.382 N/A MET 108.A N ALA 104.A O no hydrogen 2.865 N/A MET 109.A N TYR 105.A O no hydrogen 2.691 N/A ALA 110.A N LEU 106.A O no hydrogen 2.830 N/A GLN 111.A N SER 107.A O no hydrogen 2.939 N/A LYS 112.A N MET 108.A O no hydrogen 2.747 N/A ARG 113.A N ALA 110.A O no hydrogen 2.595 N/A ARG 113.A NH1 ALA 110.A O no hydrogen 3.265 N/A VAL 114.A N MET 109.A O no hydrogen 3.393 N/A ASP 115.A N SER 59.A O no hydrogen 2.809 N/A LEU 117.A N PRO 139.A O no hydrogen 2.777 N/A LEU 118.A N GLY 61.A O no hydrogen 2.953 N/A VAL 119.A N VAL 141.A O no hydrogen 2.850 N/A MET 120.A N LEU 63.A O no hydrogen 3.025 N/A CYS 121.A N TYR 124.A OH no hydrogen 2.814 N/A CYS 121.A SG LEU 63.A O no hydrogen 3.683 N/A SER 122.A N ASP 144.A OD2 no hydrogen 3.278 N/A SER 122.A OG THR 65.A OG1 no hydrogen 3.041 N/A GLU 123.A N CYS 121.A O no hydrogen 2.684 N/A TYR 124.A OH ASP 144.A OD1 no hydrogen 2.652 N/A LEU 128.A N PRO 125.A O no hydrogen 2.786 N/A LEU 129.A N PRO 125.A O no hydrogen 2.785 N/A ALA 130.A N GLU 126.A O no hydrogen 2.626 N/A MET 131.A N PRO 127.A O no hydrogen 3.368 N/A LEU 132.A N LEU 128.A O no hydrogen 3.057 N/A GLU 133.A N LEU 129.A O no hydrogen 2.933 N/A GLU 134.A N ALA 130.A O no hydrogen 3.245 N/A GLU 134.A N MET 131.A O no hydrogen 2.851 N/A TYR 135.A N LEU 132.A O no hydrogen 2.761 N/A ARG 136.A N GLU 133.A O no hydrogen 2.765 N/A ARG 136.A NH2 ASP 151.A OD1 no hydrogen 3.228 N/A ILE 138.A N TYR 135.A O no hydrogen 2.671 N/A VAL 141.A N LEU 117.A O no hydrogen 2.897 N/A VAL 142.A N ASP 154.A O no hydrogen 3.061 N/A MET 143.A N VAL 119.A O no hydrogen 3.060 N/A LYS 149.A NZ GLU 147.A OE2 no hydrogen 3.010 N/A ASP 154.A N MET 140.A O no hydrogen 3.206 N/A ALA 155.A N GLN 315.A O no hydrogen 2.844 N/A VAL 156.A N VAL 142.A O no hydrogen 3.494 N/A ILE 157.A N ILE 317.A O no hydrogen 2.861 N/A ASN 159.A ND2 VAL 319.A O no hydrogen 2.654 N/A ALA 160.A N ASP 158.A OD1 no hydrogen 3.042 N/A GLY 163.A N ASN 159.A O no hydrogen 3.177 N/A GLY 164.A N ALA 160.A O no hydrogen 3.021 N/A TYR 165.A N PHE 161.A O no hydrogen 3.046 N/A TYR 165.A OH GLU 204.A OE1 no hydrogen 2.574 N/A TYR 165.A OH GLU 204.A OE2 no hydrogen 2.954 N/A MET 166.A N GLU 162.A O no hydrogen 3.027 N/A ALA 167.A N GLY 163.A O no hydrogen 3.017 N/A GLY 168.A N GLY 164.A O no hydrogen 2.963 N/A ARG 169.A N TYR 165.A O no hydrogen 3.013 N/A ARG 169.A NE GLU 173.A OE2 no hydrogen 3.120 N/A ARG 169.A NH2 GLU 173.A OE2 no hydrogen 2.837 N/A TYR 170.A N MET 166.A O no hydrogen 3.088 N/A TYR 170.A OH GLU 325.A OE2 no hydrogen 3.124 N/A LEU 171.A N ALA 167.A O no hydrogen 3.355 N/A ILE 172.A N GLY 168.A O no hydrogen 3.097 N/A GLU 173.A N ARG 169.A O no hydrogen 2.832 N/A ARG 174.A N LEU 171.A O no hydrogen 2.911 N/A ARG 174.A NE TYR 170.A OH no hydrogen 3.432 N/A ARG 174.A NH1 ASP 331.A OD1 no hydrogen 2.687 N/A ARG 174.A NH2 TYR 170.A OH no hydrogen 3.543 N/A GLY 175.A N ILE 172.A O no hydrogen 2.923 N/A HIS 176.A N LEU 171.A O no hydrogen 3.189 N/A HIS 176.A ND1 THR 239.A OG1 no hydrogen 2.667 N/A HIS 176.A NE2 ALA 330.A O no hydrogen 2.631 N/A ARG 177.A NH2 ALA 205.A O no hydrogen 2.973 N/A ARG 177.A NH2 MET 206.A O no hydrogen 2.815 N/A GLY 180.A N ALA 240.A O no hydrogen 2.813 N/A VAL 181.A N TRP 213.A O no hydrogen 2.806 N/A ILE 182.A N PHE 242.A O no hydrogen 2.897 N/A GLN 188.A N PRO 185.A O no hydrogen 2.975 N/A ASN 189.A ND2 ASP 158.A OD1 no hydrogen 3.219 N/A GLY 191.A N GLN 188.A O no hydrogen 3.061 N/A ALA 192.A N GLN 188.A O no hydrogen 2.864 N/A GLY 193.A N ASN 189.A O no hydrogen 2.652 N/A ARG 194.A NH1 GLY 244.A O no hydrogen 2.783 N/A LEU 195.A N GLY 191.A O no hydrogen 3.212 N/A ALA 196.A N ALA 192.A O no hydrogen 2.927 N/A GLY 197.A N GLY 193.A O no hydrogen 3.071 N/A PHE 198.A N ARG 194.A O no hydrogen 3.012 N/A MET 199.A N LEU 195.A O no hydrogen 2.693 N/A LYS 200.A N ALA 196.A O no hydrogen 2.907 N/A ALA 201.A N GLY 197.A O no hydrogen 3.475 N/A MET 202.A N PHE 198.A O no hydrogen 3.444 N/A GLU 203.A N MET 199.A O no hydrogen 3.160 N/A GLU 204.A N LYS 200.A O no hydrogen 2.855 N/A ALA 205.A N ALA 201.A O no hydrogen 2.988 N/A MET 206.A N GLU 203.A O no hydrogen 2.966 N/A ILE 207.A N MET 202.A O no hydrogen 2.771 N/A TRP 213.A N PRO 210.A O no hydrogen 2.628 N/A TRP 213.A NE1 HIS 236.A O no hydrogen 3.134 N/A ILE 214.A N GLU 211.A O no hydrogen 3.249 N/A VAL 215.A N VAL 181.A O no hydrogen 2.811 N/A GLY 217.A N PRO 183.A O no hydrogen 2.691 N/A ASP 218.A N SER 223.A OG no hydrogen 2.895 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.650 N/A SER 223.A OG ASP 218.A OD1 no hydrogen 2.697 N/A SER 223.A OG GLU 220.A O no hydrogen 2.634 N/A GLY 224.A N GLU 220.A O no hydrogen 3.456 N/A TYR 225.A N PRO 221.A O no hydrogen 3.097 N/A TYR 225.A OH GLU 258.A OE1 no hydrogen 2.602 N/A ARG 226.A N GLU 222.A O no hydrogen 3.099 N/A ALA 227.A N SER 223.A O no hydrogen 3.154 N/A MET 228.A N GLY 224.A O no hydrogen 2.814 N/A GLN 229.A N TYR 225.A O no hydrogen 2.952 N/A GLN 230.A N ARG 226.A O no hydrogen 2.736 N/A ILE 231.A N ALA 227.A O no hydrogen 2.775 N/A LEU 232.A N MET 228.A O no hydrogen 3.013 N/A GLN 234.A N ILE 231.A O no hydrogen 3.275 N/A GLN 234.A NE2 SER 212.A O no hydrogen 2.777 N/A GLN 234.A NE2 GLN 230.A O no hydrogen 3.271 N/A HIS 236.A NE2 GLU 178.A OE2 no hydrogen 2.672 N/A ARG 237.A NE LEU 232.A O no hydrogen 3.124 N/A ARG 237.A NH2 LEU 232.A O no hydrogen 3.065 N/A THR 239.A N GLU 178.A O no hydrogen 2.698 N/A THR 239.A OG1 HIS 176.A ND1 no hydrogen 2.667 N/A ALA 240.A N GLU 178.A O no hydrogen 3.192 N/A VAL 241.A N SER 268.A O no hydrogen 2.764 N/A PHE 242.A N GLY 180.A O no hydrogen 2.789 N/A CYS 243.A N ILE 270.A O no hydrogen 2.790 N/A CYS 243.A SG GLY 245.A O no hydrogen 3.710 N/A GLY 244.A N ILE 182.A O no hydrogen 2.830 N/A ALA 249.A N GLY 245.A O no hydrogen 2.996 N/A MET 250.A N ASP 246.A O no hydrogen 2.681 N/A GLY 251.A N ILE 247.A O no hydrogen 2.857 N/A ALA 252.A N MET 248.A O no hydrogen 2.751 N/A LEU 253.A N ALA 249.A O no hydrogen 2.708 N/A LEU 253.A N MET 250.A O no hydrogen 3.285 N/A CYS 254.A N MET 250.A O no hydrogen 3.270 N/A CYS 254.A SG GLU 258.A OE2 no hydrogen 3.643 N/A ALA 255.A N GLY 251.A O no hydrogen 3.406 N/A ALA 256.A N ALA 252.A O no hydrogen 3.450 N/A ASP 257.A N LEU 253.A O no hydrogen 3.061 N/A GLU 258.A N CYS 254.A O no hydrogen 2.870 N/A MET 259.A N ALA 255.A O no hydrogen 2.793 N/A GLY 260.A N ASP 257.A O no hydrogen 2.856 N/A LEU 261.A N ALA 256.A O no hydrogen 2.652 N/A ARG 262.A N ASP 266.A OD2 no hydrogen 2.653 N/A GLN 265.A N GLN 265.A OE1 no hydrogen 2.693 N/A ASP 266.A N ARG 262.A O no hydrogen 2.557 N/A VAL 267.A N ARG 262.A O no hydrogen 2.959 N/A SER 268.A OG ALA 330.A O no hydrogen 3.327 N/A LEU 269.A N SER 328.A O no hydrogen 2.812 N/A ILE 270.A N VAL 241.A O no hydrogen 2.963 N/A GLY 271.A N THR 286.A O no hydrogen 3.141 N/A ASP 273.A N ILE 288.A O no hydrogen 2.727 N/A VAL 275.A N ASP 246.A OD2 no hydrogen 2.984 N/A ARG 276.A N GLU 74.A OE2 no hydrogen 2.598 N/A ALA 278.A N VAL 275.A O no hydrogen 2.842 N/A ARG 279.A NH1 ARG 279.A O no hydrogen 2.661 N/A TYR 280.A N ASN 277.A O no hydrogen 3.000 N/A PHE 281.A N ALA 278.A O no hydrogen 2.756 N/A LEU 285.A N ALA 278.A O no hydrogen 3.296 N/A THR 286.A N SER 328.A OG no hydrogen 2.749 N/A THR 287.A N ILE 324.A O no hydrogen 3.034 N/A THR 287.A OG1 ASP 246.A OD1 no hydrogen 2.952 N/A THR 287.A OG1 ILE 288.A O no hydrogen 3.397 N/A HIS 289.A N ARG 322.A O no hydrogen 2.679 N/A GLN 290.A N ASP 273.A O no hydrogen 3.286 N/A LYS 292.A NZ GLU 74.A OE1 no hydrogen 2.701 N/A LYS 292.A NZ ASN 274.A O no hydrogen 3.177 N/A SER 294.A OG PRO 291.A O no hydrogen 3.312 N/A LEU 295.A N PRO 291.A O no hydrogen 3.149 N/A GLY 296.A N LYS 292.A O no hydrogen 2.911 N/A GLU 297.A N ASP 293.A O no hydrogen 2.764 N/A THR 298.A N SER 294.A O no hydrogen 2.674 N/A THR 298.A OG1 SER 294.A O no hydrogen 2.903 N/A ALA 299.A N LEU 295.A O no hydrogen 3.028 N/A PHE 300.A N GLY 296.A O no hydrogen 2.838 N/A ASN 301.A N GLU 297.A O no hydrogen 2.925 N/A MET 302.A N THR 298.A O no hydrogen 3.086 N/A LEU 303.A N ALA 299.A O no hydrogen 3.055 N/A LEU 304.A N PHE 300.A O no hydrogen 3.064 N/A ASP 305.A N ASN 301.A O no hydrogen 2.955 N/A ARG 306.A N MET 302.A O no hydrogen 2.971 N/A ARG 306.A NE ASP 154.A OD1 no hydrogen 3.367 N/A ARG 306.A NH2 ASP 154.A OD1 no hydrogen 3.432 N/A ILE 307.A N LEU 303.A O no hydrogen 2.942 N/A VAL 308.A N LEU 304.A O no hydrogen 2.652 N/A LYS 310.A N ILE 307.A O no hydrogen 3.302 N/A ARG 311.A NE ASP 305.A OD2 no hydrogen 2.722 N/A ARG 311.A NH1 ASP 154.A OD1 no hydrogen 2.864 N/A ARG 311.A NH1 ASP 154.A OD2 no hydrogen 2.968 N/A ARG 311.A NH1 GLU 313.A O no hydrogen 2.664 N/A ARG 311.A NH2 ASP 154.A OD2 no hydrogen 2.679 N/A ARG 311.A NH2 ASP 305.A OD2 no hydrogen 2.847 N/A GLU 312.A N GLU 313.A OE2 no hydrogen 3.415 N/A GLN 315.A N ASP 154.A OD1 no hydrogen 2.642 N/A ILE 317.A N ALA 155.A O no hydrogen 2.672 N/A VAL 319.A N ILE 157.A O no hydrogen 2.686 N/A HIS 320.A ND1 GLU 162.A OE1 no hydrogen 2.636 N/A ARG 322.A N HIS 289.A O no hydrogen 2.988 N/A ILE 324.A N THR 287.A O no hydrogen 2.776 N/A ARG 326.A N THR 286.A OG1 no hydrogen 2.631 N/A ARG 326.A NE LEU 285.A O no hydrogen 2.516 N/A ARG 326.A NH1 ASN 274.A OD1 no hydrogen 3.545 N/A ARG 326.A NH2 ASN 274.A OD1 no hydrogen 2.895 N/A ARG 326.A NH2 LEU 285.A O no hydrogen 3.303 N/A ARG 327.A N ALA 284.A O no hydrogen 2.766 N/A SER 328.A OG LEU 269.A O no hydrogen 2.629 N/A ALA 330.A N SER 268.A OG no hydrogen 2.758 N/A GLY 332.A N ARG 174.A O no hydrogen 2.613 N/A PHE 334.A N GLY 175.A O no hydrogen 2.876 N/A ARG 335.A N GLY 332.A O no hydrogen 3.234 N/A TYR 337.A N PHE 334.A O no hydrogen 3.001 N/A