Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qfc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 29.A O no hydrogen 3.036 N/A ARG 2.A N ASP 176.A OD2 no hydrogen 2.842 N/A VAL 3.A N ASP 31.A O no hydrogen 2.713 N/A VAL 4.A N VAL 177.A O no hydrogen 2.918 N/A VAL 5.A N LYS 33.A O no hydrogen 2.751 N/A ILE 6.A N VAL 179.A O no hydrogen 2.808 N/A GLY 7.A N TYR 35.A O no hydrogen 2.840 N/A VAL 10.A N THR 45.A OG1 no hydrogen 2.917 N/A LEU 13.A N GLY 9.A O no hydrogen 3.077 N/A SER 14.A N VAL 10.A O no hydrogen 3.067 N/A SER 14.A OG VAL 10.A O no hydrogen 2.855 N/A SER 14.A OG ILE 11.A O no hydrogen 3.334 N/A THR 15.A N ILE 11.A O no hydrogen 3.020 N/A THR 15.A OG1 ILE 11.A O no hydrogen 2.945 N/A ALA 16.A N GLY 12.A O no hydrogen 2.988 N/A LEU 17.A N LEU 13.A O no hydrogen 2.952 N/A CYS 18.A N SER 14.A O no hydrogen 3.005 N/A CYS 18.A SG SER 14.A O no hydrogen 3.447 N/A ILE 19.A N THR 15.A O no hydrogen 3.023 N/A HIS 20.A N ALA 16.A O no hydrogen 3.045 N/A GLU 21.A N LEU 17.A O no hydrogen 3.013 N/A ARG 22.A N CYS 18.A O no hydrogen 3.109 N/A TYR 23.A N ILE 19.A O no hydrogen 2.905 N/A HIS 24.A N HIS 20.A O no hydrogen 2.711 N/A LEU 27.A N TYR 23.A O no hydrogen 3.310 N/A ASP 31.A N MET 1.A O no hydrogen 2.879 N/A LYS 33.A N VAL 3.A O no hydrogen 3.023 N/A LYS 33.A NZ ASP 31.A OD1 no hydrogen 3.502 N/A VAL 34.A N LYS 158.A O no hydrogen 2.983 N/A TYR 35.A N VAL 5.A O no hydrogen 2.699 N/A TYR 35.A OH GLU 173.A OE2 no hydrogen 3.102 N/A ALA 36.A N PHE 160.A O no hydrogen 3.116 N/A ARG 38.A NH2 GLU 245.A OE1 no hydrogen 2.680 N/A THR 40.A OG1 ASP 46.A OD1 no hydrogen 2.499 N/A THR 40.A OG1 ASP 46.A OD2 no hydrogen 3.448 N/A LEU 42.A N PHE 39.A O no hydrogen 2.722 N/A THR 43.A N ASP 46.A OD2 no hydrogen 2.980 N/A THR 43.A OG1 ASP 46.A OD2 no hydrogen 2.584 N/A ASP 46.A N THR 43.A O no hydrogen 3.309 N/A ASP 46.A N THR 43.A OG1 no hydrogen 3.271 N/A VAL 47.A N THR 44.A O no hydrogen 2.969 N/A ALA 48.A N THR 45.A O no hydrogen 3.180 N/A TRP 52.A N LEU 137.A O no hydrogen 2.727 N/A TRP 52.A NE1 THR 310.A O no hydrogen 2.832 N/A GLN 53.A N THR 310.A OG1 no hydrogen 3.379 N/A GLN 53.A NE2 ASN 96.A OD1 no hydrogen 3.215 N/A ASN 60.A N ASP 58.A OD1 no hydrogen 2.696 N/A GLU 64.A N ASN 61.A OD1 no hydrogen 3.305 N/A ALA 65.A N ASN 61.A O no hydrogen 3.015 N/A ASP 66.A N PRO 62.A O no hydrogen 2.997 N/A TRP 67.A N GLN 63.A O no hydrogen 2.925 N/A SER 68.A N GLU 64.A O no hydrogen 2.978 N/A GLN 69.A N ALA 65.A O no hydrogen 2.755 N/A GLN 69.A NE2 ASP 73.A OD2 no hydrogen 2.770 N/A GLN 70.A N ASP 66.A O no hydrogen 2.840 N/A THR 71.A N TRP 67.A O no hydrogen 3.164 N/A THR 71.A OG1 TRP 67.A O no hydrogen 2.761 N/A PHE 72.A N SER 68.A O no hydrogen 2.947 N/A ASP 73.A N GLN 69.A O no hydrogen 2.866 N/A TYR 74.A N GLN 70.A O no hydrogen 2.961 N/A LEU 75.A N THR 71.A O no hydrogen 2.903 N/A LEU 76.A N PHE 72.A O no hydrogen 2.932 N/A SER 77.A N ASP 73.A O no hydrogen 3.075 N/A SER 77.A OG TYR 74.A O no hydrogen 2.986 N/A HIS 78.A N LEU 75.A O no hydrogen 2.978 N/A VAL 79.A N LEU 76.A O no hydrogen 3.145 N/A SER 81.A N HIS 78.A O no hydrogen 3.167 N/A SER 81.A OG HIS 78.A O no hydrogen 2.912 N/A ALA 84.A N SER 81.A O no hydrogen 3.184 N/A ASN 86.A N ASN 83.A O no hydrogen 2.667 N/A ASN 86.A ND2 ASN 83.A O no hydrogen 3.362 N/A LEU 87.A N ALA 84.A O no hydrogen 3.074 N/A GLY 88.A N GLU 85.A O no hydrogen 2.938 N/A LEU 89.A N ALA 84.A O no hydrogen 3.002 N/A PHE 90.A N ILE 138.A O no hydrogen 3.136 N/A ILE 92.A N SER 136.A O no hydrogen 3.088 N/A SER 93.A OG THR 135.A OG1 no hydrogen 2.345 N/A GLY 94.A N HIS 134.A O no hydrogen 2.952 N/A TYR 95.A N PHE 213.A O no hydrogen 3.001 N/A ASN 96.A N TRP 132.A O no hydrogen 3.078 N/A ASN 96.A ND2 GLN 53.A OE1 no hydrogen 2.672 N/A ASN 96.A ND2 HIS 217.A NE2 no hydrogen 3.015 N/A LEU 97.A N LEU 215.A O no hydrogen 2.771 N/A PHE 98.A N TYR 130.A O no hydrogen 2.862 N/A SER 106.A OG ASP 58.A OD2 no hydrogen 3.528 N/A LYS 108.A N PRO 105.A O no hydrogen 3.203 N/A THR 110.A N TRP 107.A O no hydrogen 2.693 N/A THR 110.A OG1 GLN 69.A OE1 no hydrogen 2.512 N/A VAL 111.A N TRP 107.A O no hydrogen 3.244 N/A LEU 112.A N THR 135.A O no hydrogen 2.826 N/A ARG 115.A N PHE 133.A O no hydrogen 3.006 N/A ARG 115.A NH1 LYS 116.A O no hydrogen 3.173 N/A ARG 115.A NH1 GLU 121.A OE1 no hydrogen 3.345 N/A ARG 115.A NH1 GLU 121.A OE2 no hydrogen 3.008 N/A ARG 115.A NH2 GLU 121.A OE1 no hydrogen 2.687 N/A LEU 117.A N GLY 131.A O no hydrogen 2.784 N/A THR 118.A N GLU 121.A OE2 no hydrogen 2.865 N/A THR 118.A OG1 GLU 121.A OE2 no hydrogen 2.676 N/A LEU 122.A N THR 118.A O no hydrogen 2.971 N/A ASP 123.A N PRO 119.A O no hydrogen 2.874 N/A MET 124.A N GLU 121.A O no hydrogen 2.995 N/A PHE 125.A N LEU 122.A O no hydrogen 2.977 N/A TYR 128.A N PHE 125.A O no hydrogen 2.921 N/A GLY 129.A N PHE 98.A O no hydrogen 3.134 N/A TYR 130.A N PHE 98.A O no hydrogen 3.120 N/A TRP 132.A N ASN 96.A O no hydrogen 3.016 N/A PHE 133.A N ARG 115.A O no hydrogen 2.872 N/A HIS 134.A N GLY 94.A O no hydrogen 3.305 N/A THR 135.A N LEU 112.A O no hydrogen 2.901 N/A THR 135.A OG1 SER 93.A OG no hydrogen 2.345 N/A SER 136.A N ILE 92.A O no hydrogen 2.967 N/A SER 136.A OG TRP 52.A O no hydrogen 2.756 N/A ILE 138.A N PHE 90.A O no hydrogen 2.861 N/A LEU 139.A N GLY 50.A O no hydrogen 2.832 N/A GLU 140.A N GLY 88.A O no hydrogen 2.885 N/A TYR 144.A N GLU 140.A O no hydrogen 2.985 N/A TYR 144.A OH HIS 312.A NE2 no hydrogen 2.749 N/A LEU 145.A N GLY 141.A O no hydrogen 3.238 N/A GLN 146.A N LYS 142.A O no hydrogen 3.174 N/A TRP 147.A N ASN 143.A O no hydrogen 2.904 N/A LEU 148.A N TYR 144.A O no hydrogen 2.756 N/A THR 149.A N LEU 145.A O no hydrogen 2.812 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.583 N/A GLU 150.A N GLN 146.A O no hydrogen 3.055 N/A ARG 151.A N TRP 147.A O no hydrogen 3.111 N/A ARG 151.A NE GLU 154.A OE2 no hydrogen 3.000 N/A ARG 151.A NH2 GLU 154.A OE1 no hydrogen 2.867 N/A ARG 151.A NH2 GLU 154.A OE2 no hydrogen 3.448 N/A LEU 152.A N LEU 148.A O no hydrogen 2.977 N/A THR 153.A N THR 149.A O no hydrogen 2.805 N/A THR 153.A OG1 THR 149.A O no hydrogen 2.955 N/A GLU 154.A N GLU 150.A O no hydrogen 2.918 N/A ARG 155.A N ARG 151.A O no hydrogen 3.301 N/A ARG 155.A N LEU 152.A O no hydrogen 3.034 N/A GLY 156.A N THR 153.A O no hydrogen 3.107 N/A VAL 157.A N LEU 152.A O no hydrogen 2.990 N/A LYS 158.A N ILE 32.A O no hydrogen 3.454 N/A PHE 160.A N VAL 34.A O no hydrogen 2.973 N/A ARG 162.A N ALA 36.A O no hydrogen 2.886 N/A ARG 162.A NE GLU 169.A OE2 no hydrogen 3.281 N/A ARG 162.A NH1 GLU 173.A OE1 no hydrogen 2.726 N/A ARG 162.A NH1 GLU 173.A OE2 no hydrogen 3.079 N/A ARG 162.A NH2 GLU 169.A OE2 no hydrogen 3.034 N/A ARG 162.A NH2 GLU 173.A OE1 no hydrogen 2.497 N/A GLU 165.A N GLU 169.A OE1 no hydrogen 2.854 N/A GLU 169.A N SER 166.A OG no hydrogen 3.116 N/A ALA 171.A N PHE 167.A O no hydrogen 2.831 N/A ARG 172.A N GLU 168.A O no hydrogen 2.588 N/A GLU 173.A N VAL 170.A O no hydrogen 3.297 N/A GLY 174.A N ALA 171.A O no hydrogen 3.038 N/A ASP 176.A N ARG 2.A O no hydrogen 2.780 N/A VAL 177.A N ARG 2.A O no hydrogen 3.286 N/A ILE 178.A N GLU 297.A O no hydrogen 2.820 N/A VAL 179.A N VAL 4.A O no hydrogen 2.903 N/A ASN 180.A N ILE 299.A O no hydrogen 2.825 N/A ASN 180.A ND2 THR 182.A OG1 no hydrogen 2.688 N/A CYS 181.A N ILE 6.A O no hydrogen 2.835 N/A CYS 181.A SG ASN 301.A O no hydrogen 3.954 N/A TRP 185.A N THR 182.A O no hydrogen 3.176 N/A ALA 186.A N GLY 183.A O no hydrogen 3.302 N/A ALA 188.A N TRP 185.A O no hydrogen 3.011 N/A LEU 189.A N ALA 186.A O no hydrogen 3.003 N/A GLN 190.A N ALA 186.A O no hydrogen 3.308 N/A GLN 190.A NE2 GLU 290.A OE1 no hydrogen 3.034 N/A LEU 194.A N ASP 192.A OD1 no hydrogen 3.220 N/A LEU 195.A N ASP 192.A O no hydrogen 3.118 N/A GLN 196.A N.A VAL 281.A O no hydrogen 2.768 N/A GLN 196.A N.B VAL 281.A O no hydrogen 2.827 N/A GLN 196.A NE2.B PRO 193.A O no hydrogen 3.488 N/A GLY 198.A N ARG 279.A O no hydrogen 2.768 N/A ARG 199.A N GLN 239.A O no hydrogen 3.086 N/A ARG 199.A NE SER 244.A O no hydrogen 3.047 N/A ARG 199.A NH1 GLN 239.A OE1 no hydrogen 2.888 N/A ARG 199.A NH1 ASP 251.A OD2 no hydrogen 2.873 N/A ARG 199.A NH2 GLN 201.A OE1 no hydrogen 2.938 N/A ARG 199.A NH2 LEU 246.A O no hydrogen 2.618 N/A GLY 200.A N GLY 277.A O no hydrogen 2.594 N/A GLN 201.A NE2 ASN 248.A O no hydrogen 3.019 N/A GLN 201.A NE2 GLU 274.A OE1 no hydrogen 2.951 N/A ILE 202.A N ARG 275.A O no hydrogen 2.943 N/A MET 203.A N LEU 234.A O no hydrogen 2.798 N/A LYS 204.A N GLY 273.A O no hydrogen 2.961 N/A VAL 205.A N VAL 232.A O no hydrogen 2.767 N/A ASP 206.A N ARG 270.A O no hydrogen 2.876 N/A TRP 209.A NE1 THR 265.A OG1 no hydrogen 3.035 N/A MET 210.A N ALA 207.A O no hydrogen 3.004 N/A LYS 211.A NZ PRO 208.A O no hydrogen 2.714 N/A PHE 213.A N SER 93.A O no hydrogen 3.286 N/A ILE 214.A N ILE 225.A O no hydrogen 2.731 N/A LEU 215.A N TYR 95.A O no hydrogen 2.886 N/A THR 216.A N PRO 223.A O no hydrogen 3.176 N/A THR 216.A OG1 SER 222.A OG no hydrogen 2.378 N/A THR 216.A OG1 PRO 223.A O no hydrogen 2.530 N/A HIS 217.A N LEU 97.A O no hydrogen 3.079 N/A ASN 221.A ND2 PHE 238.A O no hydrogen 3.093 N/A SER 222.A OG THR 216.A OG1 no hydrogen 2.378 N/A TYR 224.A N GLY 235.A O no hydrogen 3.069 N/A ILE 225.A N ILE 214.A O no hydrogen 2.845 N/A ILE 226.A N THR 233.A O no hydrogen 2.811 N/A GLY 228.A N THR 231.A O no hydrogen 2.732 N/A THR 229.A N GLU 140.A OE1 no hydrogen 2.856 N/A THR 229.A OG1 GLU 140.A OE1 no hydrogen 2.433 N/A VAL 232.A N VAL 205.A O no hydrogen 2.810 N/A THR 233.A N ILE 226.A O no hydrogen 2.969 N/A LEU 234.A N MET 203.A O no hydrogen 2.696 N/A GLY 235.A N TYR 224.A O no hydrogen 3.172 N/A PHE 238.A N ASN 221.A OD1 no hydrogen 2.938 N/A GLN 239.A N ARG 199.A O no hydrogen 3.101 N/A GLN 239.A NE2 ASP 251.A OD1 no hydrogen 3.297 N/A GLN 239.A NE2 ASP 251.A OD2 no hydrogen 3.045 N/A GLY 241.A N PRO 197.A O no hydrogen 2.961 N/A ASN 242.A N GLN 239.A O no hydrogen 3.459 N/A SER 244.A N ASN 242.A OD1 no hydrogen 2.775 N/A LEU 246.A N SER 244.A OG no hydrogen 3.187 N/A ASN 247.A ND2 GLU 274.A O no hydrogen 3.180 N/A ASN 248.A N GLN 201.A OE1 no hydrogen 2.838 N/A ASP 251.A N ASN 248.A OD1 no hydrogen 3.072 N/A HIS 252.A N ASN 248.A O no hydrogen 2.976 N/A HIS 252.A ND1 GLU 274.A OE2 no hydrogen 2.615 N/A ASN 253.A N ILE 249.A O no hydrogen 2.888 N/A THR 254.A N GLN 250.A O no hydrogen 2.794 N/A THR 254.A OG1 GLN 250.A O no hydrogen 3.075 N/A ILE 255.A N ASP 251.A O no hydrogen 2.836 N/A TRP 256.A N HIS 252.A O no hydrogen 2.943 N/A GLU 257.A N ASN 253.A O no hydrogen 2.939 N/A GLY 258.A N THR 254.A O no hydrogen 3.001 N/A CYS 259.A N ILE 255.A O no hydrogen 2.853 N/A CYS 259.A SG TYR 224.A O no hydrogen 3.385 N/A CYS 259.A SG GLY 235.A O no hydrogen 3.984 N/A CYS 259.A SG ILE 255.A O no hydrogen 3.358 N/A CYS 260.A N TRP 256.A O no hydrogen 2.835 N/A ARG 261.A N GLU 257.A O no hydrogen 2.955 N/A LEU 262.A N GLY 258.A O no hydrogen 3.248 N/A GLU 263.A N CYS 259.A O no hydrogen 2.805 N/A THR 265.A N GLU 263.A OE2 no hydrogen 3.430 N/A THR 265.A OG1 GLU 263.A OE2 no hydrogen 2.682 N/A LEU 266.A N GLU 263.A O no hydrogen 2.891 N/A LYS 267.A N PRO 264.A O no hydrogen 3.163 N/A ASN 268.A N THR 265.A O no hydrogen 3.377 N/A ALA 269.A N LEU 266.A O no hydrogen 2.849 N/A ILE 272.A N LYS 204.A O no hydrogen 2.913 N/A GLY 273.A N LYS 204.A O no hydrogen 3.206 N/A ARG 275.A N ILE 202.A O no hydrogen 3.151 N/A THR 276.A OG1 LEU 246.A O no hydrogen 3.324 N/A THR 276.A OG1 ASN 247.A OD1 no hydrogen 2.569 N/A GLY 277.A N GLY 200.A O no hydrogen 2.669 N/A ARG 279.A N GLY 198.A O no hydrogen 2.925 N/A ARG 279.A NH1 GLY 198.A O no hydrogen 2.938 N/A ARG 279.A NH1 ARG 199.A O no hydrogen 2.980 N/A ARG 279.A NH1 ILE 237.A O no hydrogen 3.009 N/A ARG 279.A NH2 ILE 237.A O no hydrogen 2.904 N/A VAL 281.A N GLN 196.A O.A no hydrogen 2.988 N/A VAL 281.A N GLN 196.A O.B no hydrogen 3.141 N/A VAL 281.A N ARG 279.A O no hydrogen 3.012 N/A ARG 282.A NE ASP 192.A OD2 no hydrogen 2.989 N/A ARG 282.A NH1 GLN 284.A O no hydrogen 2.683 N/A ARG 286.A N TYR 302.A O no hydrogen 2.808 N/A ARG 286.A NE GLU 288.A OE2 no hydrogen 2.985 N/A ARG 286.A NH1 GLN 190.A OE1 no hydrogen 3.013 N/A ARG 286.A NH1 TYR 302.A OH no hydrogen 2.886 N/A ARG 286.A NH2 GLN 190.A OE1 no hydrogen 3.055 N/A ARG 286.A NH2 GLU 288.A OE2 no hydrogen 2.973 N/A ARG 286.A NH2 GLU 290.A OE1 no hydrogen 3.391 N/A GLU 288.A N HIS 300.A O no hydrogen 3.112 N/A ARG 289.A NE GLU 297.A OE1 no hydrogen 3.408 N/A ARG 289.A NH1 GLU 297.A OE1 no hydrogen 3.427 N/A ARG 289.A NH1 GLU 297.A OE2 no hydrogen 3.207 N/A ARG 289.A NH1 GLU 329.A OE1 no hydrogen 3.513 N/A ARG 289.A NH1 GLU 329.A OE2 no hydrogen 3.126 N/A ARG 289.A NH2 GLU 329.A OE1 no hydrogen 2.784 N/A GLU 290.A N VAL 298.A O no hydrogen 2.792 N/A GLN 291.A NE2 LEU 292.A O no hydrogen 3.069 N/A LEU 292.A N THR 296.A O no hydrogen 3.019 N/A THR 294.A OG1 ARG 293.A O no hydrogen 3.174 N/A THR 296.A OG1 ALA 175.A O no hydrogen 2.575 N/A THR 296.A OG1 ASN 295.A O no hydrogen 2.915 N/A GLU 297.A N ASP 176.A O no hydrogen 3.399 N/A VAL 298.A N GLU 290.A O no hydrogen 2.789 N/A ILE 299.A N ILE 178.A O no hydrogen 2.813 N/A HIS 300.A N GLU 288.A O no hydrogen 2.815 N/A HIS 300.A ND1 ASN 180.A OD1 no hydrogen 2.945 N/A HIS 300.A NE2 GLU 290.A OE1 no hydrogen 2.763 N/A ASN 301.A N ASN 180.A O no hydrogen 3.012 N/A ASN 301.A ND2 THR 15.A OG1 no hydrogen 3.031 N/A TYR 302.A N ARG 286.A O no hydrogen 2.989 N/A TYR 302.A OH ASP 192.A OD2 no hydrogen 2.450 N/A GLY 305.A N PRO 280.A O no hydrogen 2.703 N/A TYR 307.A N HIS 304.A O no hydrogen 3.081 N/A ILE 311.A N TYR 307.A O no hydrogen 3.124 N/A HIS 312.A ND1 LEU 309.A O no hydrogen 2.764 N/A HIS 312.A NE2 TYR 144.A OH no hydrogen 2.749 N/A TRP 313.A N THR 71.A OG1 no hydrogen 3.107 N/A GLY 314.A N THR 71.A OG1 no hydrogen 3.310 N/A CYS 315.A N ILE 311.A O no hydrogen 3.382 N/A CYS 315.A SG HIS 304.A NE2 no hydrogen 3.795 N/A CYS 315.A SG ILE 311.A O no hydrogen 3.665 N/A ALA 316.A N HIS 312.A O no hydrogen 2.840 N/A LEU 317.A N TRP 313.A O no hydrogen 2.951 N/A GLU 318.A N GLY 314.A O no hydrogen 3.044 N/A ALA 319.A N CYS 315.A O no hydrogen 2.848 N/A ALA 320.A N ALA 316.A O no hydrogen 3.016 N/A LYS 321.A N LEU 317.A O no hydrogen 2.931 N/A LEU 322.A N GLU 318.A O no hydrogen 2.949 N/A PHE 323.A N ALA 319.A O no hydrogen 2.930 N/A GLY 324.A N ALA 320.A O no hydrogen 2.784 N/A ARG 325.A N LYS 321.A O no hydrogen 2.853 N/A ILE 326.A N LEU 322.A O no hydrogen 2.991 N/A ILE 326.A N PHE 323.A O no hydrogen 3.079 N/A LEU 327.A N PHE 323.A O no hydrogen 3.207 N/A GLU 328.A N GLY 324.A O no hydrogen 3.176 N/A GLU 329.A N ARG 325.A O no hydrogen 3.358 N/A LYS 330.A N ILE 326.A O no hydrogen 2.821 N/A