Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q4d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 LYS 29.A O no hydrogen 3.559 N/A GLN 1.A NE2 THR 32.A OG1 no hydrogen 2.920 N/A ILE 2.A N TYR 30.A O no hydrogen 2.794 N/A VAL 3.A N ASP 53.A OD2 no hydrogen 2.941 N/A VAL 4.A N THR 32.A O no hydrogen 2.843 N/A GLY 5.A N CYS 54.A O no hydrogen 2.839 N/A ILE 6.A N VAL 34.A O no hydrogen 2.931 N/A CYS 7.A N ILE 56.A O no hydrogen 2.932 N/A CYS 7.A SG SER 57.A OG no hydrogen 3.570 N/A SER 8.A OG SER 13.A OG.A no hydrogen 2.585 N/A ALA 10.A N GLU 38.A OE1 no hydrogen 2.731 N/A LYS 12.A N MET 9.A O no hydrogen 2.918 N/A SER 13.A N.A MET 9.A O no hydrogen 2.860 N/A SER 13.A N.B MET 9.A O no hydrogen 2.868 N/A SER 13.A OG.A SER 8.A O no hydrogen 3.487 N/A SER 13.A OG.A SER 8.A OG no hydrogen 2.585 N/A LYS 14.A N ALA 10.A O no hydrogen 2.898 N/A SER 15.A N LYS 12.A O no hydrogen 3.260 N/A SER 15.A OG LYS 12.A O no hydrogen 2.946 N/A LYS 16.A NZ GLU 20.A OE1 no hydrogen 2.640 N/A MET 18.A N SER 15.A OG no hydrogen 3.335 N/A LYS 19.A N SER 15.A O no hydrogen 3.001 N/A GLU 20.A N LYS 16.A O no hydrogen 2.940 N/A ILE 21.A N PRO 17.A O no hydrogen 2.960 N/A LEU 22.A N MET 18.A O no hydrogen 2.815 N/A GLU 23.A N LYS 19.A O no hydrogen 3.011 N/A ARG 24.A NE ASP 294.A OD1 no hydrogen 2.736 N/A ARG 24.A NH1 GLU 20.A O no hydrogen 3.003 N/A ARG 24.A NH1 GLU 20.A OE2 no hydrogen 2.862 N/A ILE 25.A N ILE 21.A O no hydrogen 2.890 N/A SER 26.A N LEU 22.A O no hydrogen 2.972 N/A SER 26.A OG LEU 22.A O no hydrogen 3.152 N/A LEU 27.A N ARG 24.A O no hydrogen 3.022 N/A PHE 28.A N ILE 25.A O no hydrogen 3.013 N/A ILE 31.A N PHE 28.A O no hydrogen 3.245 N/A THR 32.A N ILE 2.A O no hydrogen 2.853 N/A VAL 34.A N VAL 4.A O no hydrogen 2.910 N/A PHE 36.A N ILE 6.A O no hydrogen 2.809 N/A ILE 41.A N GLU 37.A O no hydrogen 3.005 N/A LEU 42.A N GLU 38.A O no hydrogen 2.888 N/A ASN 43.A N GLU 39.A O no hydrogen 2.904 N/A ASN 43.A ND2 GLU 39.A OE2 no hydrogen 3.258 N/A GLU 44.A N VAL 40.A O no hydrogen 2.911 N/A ASN 48.A N PRO 45.A O no hydrogen 2.874 N/A ASN 48.A ND2 GLU 44.A OE1 no hydrogen 2.979 N/A TRP 49.A N VAL 46.A O no hydrogen 3.101 N/A TRP 49.A NE1 GLU 44.A O no hydrogen 3.094 N/A CYS 52.A SG CYS 54.A O no hydrogen 3.382 N/A CYS 52.A SG TYR 71.A OH no hydrogen 3.394 N/A ASP 53.A N VAL 3.A O no hydrogen 2.873 N/A CYS 54.A N VAL 3.A O no hydrogen 3.147 N/A CYS 54.A SG PHE 78.A O no hydrogen 3.588 N/A LEU 55.A N PHE 78.A O no hydrogen 2.796 N/A ILE 56.A N GLY 5.A O no hydrogen 2.873 N/A SER 57.A OG CYS 7.A O no hydrogen 2.857 N/A PHE 58.A N CYS 7.A O no hydrogen 3.371 N/A HIS 59.A N GLN 86.A OE1 no hydrogen 2.780 N/A PHE 63.A N SER 60.A O no hydrogen 2.920 N/A LYS 67.A NZ ILE 41.A O no hydrogen 2.887 N/A LYS 67.A NZ LEU 42.A O no hydrogen 3.211 N/A LYS 67.A NZ GLU 44.A O no hydrogen 2.805 N/A ALA 68.A N PRO 64.A O no hydrogen 3.264 N/A VAL 69.A N LEU 65.A O no hydrogen 2.873 N/A ALA 70.A N ASP 66.A O.A no hydrogen 2.934 N/A ALA 70.A N ASP 66.A O.B no hydrogen 3.181 N/A TYR 71.A N LYS 67.A O no hydrogen 2.815 N/A TYR 71.A OH PRO 50.A O no hydrogen 2.631 N/A ALA 72.A N ALA 68.A O no hydrogen 2.925 N/A LYS 73.A N VAL 69.A O no hydrogen 2.939 N/A LEU 74.A N ALA 70.A O no hydrogen 2.885 N/A ARG 75.A N TYR 71.A O no hydrogen 2.923 N/A ARG 75.A NH2 GLU 47.A O no hydrogen 3.248 N/A ASN 76.A N ALA 72.A O no hydrogen 2.850 N/A PHE 78.A N ASP 53.A O no hydrogen 2.958 N/A ILE 80.A N LEU 55.A O no hydrogen 3.172 N/A ASN 81.A ND2 GLN 261.A OE1 no hydrogen 2.925 N/A ASN 81.A ND2 VAL 263.A O no hydrogen 2.775 N/A ASP 82.A N LYS 260.A O no hydrogen 2.879 N/A MET 85.A N.A ASP 82.A OD2 no hydrogen 2.832 N/A MET 85.A N.B ASP 82.A OD2 no hydrogen 2.822 N/A GLN 86.A N LEU 83.A O no hydrogen 2.983 N/A GLN 86.A NE2 SER 57.A O no hydrogen 3.117 N/A GLN 86.A NE2 ASN 81.A O no hydrogen 3.507 N/A GLN 86.A NE2 ASP 82.A O no hydrogen 3.275 N/A GLN 86.A NE2 GLN 261.A OE1 no hydrogen 3.504 N/A TYR 87.A N ASN 84.A O no hydrogen 3.194 N/A TYR 87.A OH ASP 66.A OD1.A no hydrogen 2.456 N/A ILE 89.A N MET 85.A O.A no hydrogen 2.997 N/A ILE 89.A N MET 85.A O.B no hydrogen 3.008 N/A GLN 90.A N TYR 87.A O no hydrogen 3.216 N/A GLN 90.A NE2 GLN 86.A O no hydrogen 3.118 N/A ASP 91.A N LEU 88.A O no hydrogen 3.063 N/A ARG 92.A N.A VAL 147.A O no hydrogen 2.875 N/A ARG 92.A N.B VAL 147.A O no hydrogen 2.862 N/A ARG 92.A NE.A PRO 146.A O no hydrogen 2.787 N/A ARG 92.A NH1.B PRO 146.A O no hydrogen 2.552 N/A ARG 92.A NH1.B ASP 151.A O no hydrogen 3.207 N/A ARG 92.A NH2.A ASP 151.A O no hydrogen 2.827 N/A ARG 92.A NH2.B ASP 151.A O no hydrogen 3.461 N/A ARG 93.A N ASP 91.A OD1 no hydrogen 3.011 N/A ARG 93.A NE ASP 91.A OD1 no hydrogen 2.910 N/A ARG 93.A NH2 ASP 91.A OD2 no hydrogen 2.980 N/A VAL 95.A N ASP 91.A O no hydrogen 3.109 N/A TYR 96.A N ARG 92.A O.A no hydrogen 2.962 N/A TYR 96.A N ARG 92.A O.B no hydrogen 2.976 N/A TYR 96.A OH GLU 195.A OE1 no hydrogen 3.100 N/A TYR 96.A OH GLU 195.A OE2 no hydrogen 2.650 N/A TYR 96.A OH CYS 278.A O no hydrogen 3.075 N/A SER 97.A N ARG 93.A O no hydrogen 2.977 N/A ILE 98.A N GLU 94.A O no hydrogen 3.064 N/A LEU 99.A N VAL 95.A O no hydrogen 3.050 N/A GLN 100.A N TYR 96.A O no hydrogen 3.029 N/A ALA 101.A N SER 97.A O no hydrogen 3.045 N/A GLU 102.A N ILE 98.A O no hydrogen 3.025 N/A GLU 102.A N LEU 99.A O no hydrogen 3.146 N/A GLY 103.A N GLN 100.A O no hydrogen 3.105 N/A ILE 104.A N LEU 99.A O no hydrogen 3.014 N/A ARG 108.A N.A GLU 196.A OE2.B no hydrogen 2.848 N/A ARG 108.A N.B GLU 196.A OE2.B no hydrogen 2.852 N/A ARG 108.A NH1.A VAL 137.A O no hydrogen 2.874 N/A ARG 108.A NH1.B VAL 137.A O no hydrogen 3.361 N/A ARG 108.A NH2.A VAL 137.A O no hydrogen 2.759 N/A ARG 108.A NH2.B VAL 137.A O no hydrogen 3.162 N/A TYR 109.A OH GLN 100.A OE1 no hydrogen 3.059 N/A ALA 110.A N TYR 194.A O no hydrogen 2.864 N/A LEU 112.A N TYR 192.A O no hydrogen 2.745 N/A ARG 114.A N SER 191.A OG no hydrogen 2.894 N/A ARG 114.A NE PRO 119.A O no hydrogen 2.960 N/A ARG 114.A NH1 GLY 190.A O no hydrogen 2.839 N/A ASN 117.A N ASP 115.A OD1 no hydrogen 3.013 N/A ASN 118.A N ASP 115.A O no hydrogen 2.825 N/A ASN 118.A ND2 ASP 115.A OD2 no hydrogen 3.084 N/A GLU 121.A N ASN 118.A O no hydrogen 3.084 N/A CYS 122.A SG PRO 119.A O no hydrogen 3.510 N/A ASN 123.A ND2 ASN 134.A OD1 no hydrogen 2.792 N/A LEU 124.A N CYS 122.A O no hydrogen 2.942 N/A ILE 125.A N GLU 132.A O no hydrogen 2.950 N/A GLY 127.A N HIS 130.A O no hydrogen 2.760 N/A HIS 130.A NE2 GLU 132.A OE2 no hydrogen 2.862 N/A VAL 131.A N PHE 138.A O no hydrogen 3.057 N/A GLU 132.A N ILE 125.A O no hydrogen 2.777 N/A VAL 133.A N GLU 136.A O no hydrogen 2.892 N/A ASN 134.A N ASN 123.A O no hydrogen 2.886 N/A ASN 134.A ND2 ILE 111.A O no hydrogen 2.884 N/A GLU 136.A N VAL 133.A O no hydrogen 3.022 N/A PHE 138.A N VAL 131.A O no hydrogen 2.854 N/A LYS 140.A N ASP 129.A O no hydrogen 2.914 N/A LYS 140.A NZ GLU 128.A O no hydrogen 2.802 N/A LYS 140.A NZ SER 184.A O no hydrogen 2.953 N/A VAL 143.A N GLU 195.A O no hydrogen 2.851 N/A GLU 144.A N TYR 155.A O no hydrogen 2.769 N/A LYS 145.A N ILE 193.A O no hydrogen 2.885 N/A LYS 145.A NZ TYR 96.A OH no hydrogen 3.179 N/A LYS 145.A NZ GLU 195.A OE1 no hydrogen 3.106 N/A LYS 145.A NZ GLU 195.A OE2 no hydrogen 3.529 N/A VAL 147.A N SER 191.A O no hydrogen 3.139 N/A ALA 149.A N GLN 90.A O no hydrogen 2.897 N/A GLU 150.A N SER 148.A OG no hydrogen 3.246 N/A ASP 151.A N SER 148.A O no hydrogen 3.063 N/A ASN 153.A N ASP 151.A OD1 no hydrogen 3.054 N/A ASN 153.A ND2 ASP 151.A OD1 no hydrogen 2.736 N/A VAL 154.A N HIS 152.A O no hydrogen 2.928 N/A TYR 155.A N GLU 144.A O no hydrogen 2.923 N/A ILE 156.A N GLN 167.A O no hydrogen 2.878 N/A TYR 157.A N PHE 142.A O no hydrogen 2.982 N/A TYR 157.A OH GLU 144.A OE1 no hydrogen 2.622 N/A TYR 158.A N GLY 165.A O no hydrogen 3.144 N/A TYR 158.A OH GLN 167.A OE1 no hydrogen 2.888 N/A THR 160.A N ASP 129.A OD1 no hydrogen 2.824 N/A THR 160.A OG1 ASP 129.A OD1 no hydrogen 3.143 N/A THR 160.A OG1 ASP 129.A OD2 no hydrogen 3.550 N/A ALA 162.A N PRO 159.A O no hydrogen 2.859 N/A GLY 163.A N THR 160.A O no hydrogen 2.926 N/A GLY 164.A N PRO 159.A O no hydrogen 3.021 N/A GLY 165.A N SER 184.A OG no hydrogen 2.878 N/A SER 166.A N SER 181.A O no hydrogen 2.828 N/A SER 166.A OG GLU 183.A O no hydrogen 2.745 N/A GLN 167.A N ILE 156.A O no hydrogen 2.772 N/A GLN 167.A NE2 SER 178.A OG no hydrogen 2.997 N/A ARG 168.A N VAL 179.A O no hydrogen 2.812 N/A LEU 169.A N VAL 154.A O no hydrogen 2.833 N/A PHE 170.A N SER 177.A O no hydrogen 3.114 N/A LYS 172.A NZ GLU 237.A OE1 no hydrogen 2.818 N/A ILE 173.A N ARG 176.A O no hydrogen 3.034 N/A ARG 176.A N ILE 173.A O no hydrogen 3.009 N/A ARG 176.A NE SER 178.A O no hydrogen 3.221 N/A ARG 176.A NH2 SER 178.A O no hydrogen 2.995 N/A SER 177.A N GLY 227.A O no hydrogen 2.832 N/A SER 177.A OG GLY 227.A O no hydrogen 3.446 N/A SER 178.A OG PRO 223.A O no hydrogen 2.608 N/A VAL 179.A N ARG 168.A O no hydrogen 2.948 N/A TYR 180.A OH GLY 164.A O no hydrogen 2.983 N/A SER 181.A N SER 166.A O no hydrogen 2.711 N/A GLU 183.A N SER 181.A OG no hydrogen 3.017 N/A ASN 185.A N GLU 183.A OE1 no hydrogen 2.953 N/A VAL 186.A N GLU 126.A OE2 no hydrogen 2.781 N/A ARG 187.A N GLU 144.A OE2 no hydrogen 3.154 N/A ARG 187.A NE GLU 144.A OE1 no hydrogen 2.766 N/A ARG 187.A NH1 ASN 153.A O no hydrogen 2.938 N/A ARG 187.A NH2 GLU 144.A OE1 no hydrogen 2.984 N/A ARG 187.A NH2 ASN 153.A O no hydrogen 2.852 N/A TYR 192.A N LEU 112.A O no hydrogen 3.084 N/A TYR 192.A OH THR 189.A O no hydrogen 2.614 N/A ILE 193.A N LYS 145.A O no hydrogen 2.815 N/A TYR 194.A N ALA 110.A O no hydrogen 2.881 N/A TYR 194.A OH GLU 144.A OE2 no hydrogen 2.662 N/A GLU 195.A N VAL 143.A O no hydrogen 2.835 N/A GLU 196.A N.A ARG 108.A O.A no hydrogen 2.917 N/A GLU 196.A N.A ARG 108.A O.B no hydrogen 2.917 N/A GLU 196.A N.B ARG 108.A O.A no hydrogen 2.909 N/A GLU 196.A N.B ARG 108.A O.B no hydrogen 2.909 N/A THR 200.A OG1 THR 203.A O no hydrogen 3.427 N/A GLY 202.A N THR 200.A OG1 no hydrogen 3.052 N/A THR 203.A N ASP 201.A OD1 no hydrogen 3.045 N/A THR 203.A OG1 ASP 201.A OD1 no hydrogen 2.607 N/A ASP 204.A N ARG 220.A O no hydrogen 2.846 N/A VAL 205.A N LEU 268.A O no hydrogen 2.947 N/A LYS 206.A N GLU 218.A O no hydrogen 2.731 N/A LYS 206.A NZ ASP 267.A OD1 no hydrogen 3.034 N/A VAL 207.A N PHE 266.A O no hydrogen 2.826 N/A TYR 208.A N HIS 216.A O no hydrogen 2.795 N/A THR 209.A N CYS 264.A O no hydrogen 2.822 N/A THR 209.A OG1 THR 262.A O no hydrogen 3.078 N/A THR 209.A OG1 CYS 264.A O no hydrogen 3.404 N/A VAL 210.A N TYR 214.A O no hydrogen 3.010 N/A GLY 211.A N THR 262.A O no hydrogen 2.721 N/A TYR 214.A OH ASP 295.A OD2 no hydrogen 2.787 N/A HIS 216.A N TYR 208.A O no hydrogen 2.864 N/A HIS 216.A NE2 GLU 218.A OE1 no hydrogen 2.873 N/A GLU 218.A N LYS 206.A O no hydrogen 2.990 N/A ALA 219.A N TYR 240.A O no hydrogen 2.794 N/A ARG 220.A N ASP 204.A O no hydrogen 3.023 N/A ARG 220.A NH2 GLU 218.A OE2 no hydrogen 3.400 N/A LYS 221.A NZ ASP 226.A OD1 no hydrogen 3.116 N/A LYS 221.A NZ ASP 226.A OD2 no hydrogen 2.806 N/A LYS 221.A NZ LYS 228.A O no hydrogen 3.009 N/A SER 222.A N GLY 202.A O no hydrogen 2.865 N/A ALA 224.A N SER 222.A OG no hydrogen 3.155 N/A LEU 225.A N SER 222.A O no hydrogen 3.070 N/A LYS 228.A N ASP 226.A OD1 no hydrogen 2.853 N/A VAL 229.A N SER 175.A O no hydrogen 2.757 N/A ARG 231.A NE GLY 174.A O no hydrogen 3.297 N/A ARG 231.A NH1 GLY 235.A O no hydrogen 2.996 N/A ARG 231.A NH2 GLY 174.A O no hydrogen 2.835 N/A ASP 232.A N LYS 236.A O no hydrogen 2.996 N/A GLY 235.A N ASP 232.A O no hydrogen 2.818 N/A LYS 236.A N ASP 232.A OD1 no hydrogen 2.868 N/A LYS 236.A NZ ASN 288.A OD1 no hydrogen 2.892 N/A VAL 238.A N GLU 230.A O no hydrogen 2.803 N/A ARG 239.A NE GLU 218.A OE2 no hydrogen 3.107 N/A ARG 239.A NH1 GLU 237.A O no hydrogen 2.841 N/A TYR 240.A N ALA 219.A O no hydrogen 2.787 N/A TYR 240.A OH GLU 230.A OE2 no hydrogen 2.540 N/A ASN 245.A N GLU 248.A OE1 no hydrogen 2.878 N/A ARG 247.A NH1 GLY 273.A O no hydrogen 2.945 N/A GLU 248.A N ASN 245.A OD1 no hydrogen 2.709 N/A LYS 249.A N ASN 245.A O no hydrogen 2.918 N/A LEU 250.A N ALA 246.A O no hydrogen 3.177 N/A ILE 251.A N ARG 247.A O no hydrogen 3.023 N/A ALA 252.A N GLU 248.A O no hydrogen 3.006 N/A TRP 253.A N LYS 249.A O no hydrogen 3.054 N/A LYS 254.A N LEU 250.A O no hydrogen 2.864 N/A LYS 254.A NZ GLU 102.A O no hydrogen 3.126 N/A VAL 255.A N ILE 251.A O no hydrogen 2.891 N/A CYS 256.A N ALA 252.A O no hydrogen 2.978 N/A CYS 256.A SG GLN 261.A O no hydrogen 3.425 N/A CYS 256.A SG THR 262.A O no hydrogen 3.804 N/A LEU 257.A N TRP 253.A O no hydrogen 3.164 N/A ALA 258.A N LYS 254.A O no hydrogen 2.753 N/A PHE 259.A N VAL 255.A O no hydrogen 3.101 N/A LYS 260.A N LEU 257.A O no hydrogen 3.172 N/A GLN 261.A N CYS 256.A O no hydrogen 3.137 N/A GLN 261.A NE2 ASP 82.A O no hydrogen 2.932 N/A GLN 261.A NE2 PHE 259.A O no hydrogen 2.906 N/A THR 262.A N ILE 80.A O no hydrogen 3.310 N/A THR 262.A OG1 ILE 80.A O no hydrogen 2.598 N/A VAL 263.A N ASN 81.A OD1 no hydrogen 3.040 N/A CYS 264.A N THR 209.A O no hydrogen 3.368 N/A CYS 264.A SG GLY 265.A O no hydrogen 3.825 N/A GLY 265.A N GLY 282.A O no hydrogen 2.712 N/A PHE 266.A N VAL 207.A O no hydrogen 2.991 N/A ASP 267.A N ASP 279.A O no hydrogen 2.932 N/A LEU 268.A N VAL 205.A O no hydrogen 2.766 N/A LEU 269.A N TYR 276.A O no hydrogen 2.803 N/A ARG 270.A NE GLU 248.A OE2 no hydrogen 2.734 N/A ARG 270.A NH2 ILE 243.A O no hydrogen 3.074 N/A ARG 270.A NH2 GLU 248.A OE1 no hydrogen 2.822 N/A ARG 270.A NH2 GLU 248.A OE2 no hydrogen 3.462 N/A ALA 271.A N GLN 274.A O no hydrogen 3.009 N/A GLN 274.A N ALA 271.A O no hydrogen 3.030 N/A SER 275.A OG GLU 248.A OE2 no hydrogen 2.614 N/A TYR 276.A N LEU 269.A O no hydrogen 2.866 N/A VAL 277.A N LEU 105.A O no hydrogen 3.088 N/A CYS 278.A N ASP 267.A O no hydrogen 3.075 N/A ASN 281.A N GLY 265.A O no hydrogen 2.756 N/A ASN 281.A ND2 ASP 279.A OD2 no hydrogen 3.170 N/A SER 284.A OG.B GLY 282.A O no hydrogen 2.827 N/A LYS 287.A NZ PHE 285.A O no hydrogen 2.666 N/A ASN 288.A N TYR 293.A OH no hydrogen 3.203 N/A LYS 291.A NZ ASP 295.A OD2 no hydrogen 2.657 N/A TYR 292.A N SER 289.A OG no hydrogen 3.126 N/A TYR 293.A N SER 289.A O no hydrogen 3.124 N/A ASP 294.A N MET 290.A O no hydrogen 3.101 N/A ASP 295.A N LYS 291.A O no hydrogen 2.826 N/A CYS 296.A N TYR 292.A O no hydrogen 2.688 N/A CYS 296.A SG TYR 292.A OH no hydrogen 3.664 N/A ALA 297.A N TYR 293.A O no hydrogen 3.098 N/A LYS 298.A N ASP 294.A O no hydrogen 3.041 N/A ILE 299.A N ASP 295.A O no hydrogen 2.882 N/A LEU 300.A N CYS 296.A O no hydrogen 2.947 N/A GLY 301.A N ALA 297.A O no hydrogen 2.913 N/A ASN 302.A N LYS 298.A O no hydrogen 2.927 N/A ILE 303.A N ILE 299.A O no hydrogen 2.901 N/A VAL 304.A N LEU 300.A O no hydrogen 3.011 N/A MET 305.A N GLY 301.A O no hydrogen 2.904 N/A ARG 306.A N ASN 302.A O no hydrogen 2.816 N/A GLU 307.A N ILE 303.A O no hydrogen 3.030 N/A LEU 308.A N VAL 304.A O no hydrogen 2.963 N/A ALA 309.A N MET 305.A O no hydrogen 2.891 N/A PHE 312.A N LEU 308.A O no hydrogen 3.158 N/A HIS 313.A N PRO 310.A O no hydrogen 3.057 N/A HIS 313.A ND1 PRO 310.A O no hydrogen 3.198 N/A ILE 314.A N ALA 309.A O no hydrogen 2.896 N/A