Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sqe_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG GLU 1C.A O no hydrogen 3.312 N/A GLY 5.A N PRO 148.A O no hydrogen 2.811 N/A ARG 7.A N GLU 11.A OE1 no hydrogen 2.978 N/A ARG 7.A NE GLU 11.A OE1 no hydrogen 2.820 N/A ARG 7.A NE GLU 11.A OE2 no hydrogen 3.438 N/A ARG 7.A NH1 ASP 17.A OD2 no hydrogen 2.910 N/A ARG 7.A NH1 MET 42.A O no hydrogen 2.940 N/A ARG 7.A NH2 GLU 11.A OE2 no hydrogen 3.074 N/A ARG 7.A NH2 ASP 17.A OD2 no hydrogen 3.078 N/A PHE 10.A N ARG 7.A O no hydrogen 3.100 N/A LYS 12.A N ARG 7.A O no hydrogen 3.066 N/A LYS 12.A NZ ASP 3A.A OD1 no hydrogen 3.298 N/A LYS 12.A NZ ASP 3A.A OD2 no hydrogen 2.509 N/A LYS 13.A N PHE 10.A O no hydrogen 2.966 N/A SER 14.A N GLU 11.A O no hydrogen 3.277 N/A LEU 15.A N PHE 10.A O no hydrogen 2.850 N/A ASP 17.A N GLU 20C.A OE2 no hydrogen 2.880 N/A ARG 31.A N ASP 29L.A OD2 no hydrogen 2.863 N/A ARG 31.A NH1 GLU 34.A OE2 no hydrogen 3.111 N/A ARG 31.A NH1 GLU 22E.A OE1 no hydrogen 3.244 N/A ARG 31.A NH2 GLU 22E.A OE2 no hydrogen 3.112 N/A SER 36.A N VAL 193.A O no hydrogen 3.011 N/A SER 36.A OG ASP 37.A O no hydrogen 3.317 N/A ALA 38.A N LEU 191.A O no hydrogen 2.799 N/A MET 42.A N GLU 39.A O no hydrogen 3.229 N/A SER 43.A OG GLN 46.A OE1 no hydrogen 2.748 N/A SER 43.A OG THR 170.A OG1 no hydrogen 3.225 N/A GLN 46.A N SER 43.A O no hydrogen 2.978 N/A GLN 46.A NE2 THR 170.A O no hydrogen 3.070 N/A VAL 47.A N ALA 61.A O no hydrogen 3.021 N/A MET 48.A N ARG 93.A O no hydrogen 2.921 N/A LEU 49.A N CYS 59.A O no hydrogen 2.819 N/A PHE 50.A N LEU 91.A O no hydrogen 2.837 N/A ARG 51.A N GLU 56.A O no hydrogen 2.720 N/A ARG 51.A NE GLU 56.A OE2 no hydrogen 3.083 N/A ARG 51.A NH2 GLU 56.A OE2 no hydrogen 2.762 N/A LYS 52.A N ASP 89.A O no hydrogen 3.028 N/A LEU 58.A N LEU 49.A O no hydrogen 2.751 N/A CYS 59.A N LEU 49.A O no hydrogen 3.292 N/A CYS 59.A SG LEU 58.A O no hydrogen 3.164 N/A CYS 59.A SG ALA 236.A O no hydrogen 3.407 N/A GLY 60.A N ALA 236.A O no hydrogen 2.751 N/A SER 62.A N LEU 70.A O no hydrogen 2.927 N/A SER 62.A OG GLN 252.A OE1 no hydrogen 2.556 N/A LEU 63.A N TRP 45.A O no hydrogen 2.796 N/A ILE 64.A N TRP 68.A O no hydrogen 3.071 N/A ARG 67.A N SER 65.A OG no hydrogen 3.373 N/A ARG 67.A NE LEU 136.A O no hydrogen 2.744 N/A VAL 69.A N MET 134.A O no hydrogen 2.963 N/A LEU 70.A N SER 62.A O no hydrogen 2.838 N/A THR 71.A N ALA 132.A O no hydrogen 2.923 N/A THR 71.A OG1 GLY 60.A O no hydrogen 2.922 N/A ALA 72.A N THR 71.A OG1 no hydrogen 2.711 N/A HIS 74.A N ASP 130.A OD1 no hydrogen 2.780 N/A HIS 74.A ND1 ASP 130.A OD2 no hydrogen 2.698 N/A CYS 75.A N ALA 72.A O no hydrogen 3.277 N/A LEU 76.A N ALA 73.A O no hydrogen 2.923 N/A LEU 77.A N ALA 73.A O no hydrogen 2.911 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.670 N/A ASP 89.A N THR 86I.A O no hydrogen 2.919 N/A LEU 90.A N GLU 87.A O no hydrogen 3.232 N/A LEU 91.A N PHE 50.A O no hydrogen 2.927 N/A VAL 92.A N SER 110.A O no hydrogen 3.038 N/A ARG 93.A N MET 48.A O no hydrogen 2.894 N/A ARG 93.A NE GLU 107.A OE2 no hydrogen 2.789 N/A ARG 93.A NH2 GLU 107.A OE1 no hydrogen 2.988 N/A ARG 93.A NH2 GLU 107.A OE2 no hydrogen 3.186 N/A ILE 94.A N LYS 108.A O no hydrogen 2.865 N/A LYS 96.A NZ SER 98.A O no hydrogen 3.230 N/A LYS 96.A NZ ARG 101.A O no hydrogen 2.754 N/A LYS 96.A NZ GLU 103.A OE1 no hydrogen 2.831 N/A LYS 96.A NZ GLU 107.A OE1 no hydrogen 2.756 N/A HIS 97.A N GLU 103.A OE1 no hydrogen 2.976 N/A HIS 97.A N GLU 103.A OE2 no hydrogen 3.310 N/A SER 98.A N GLU 103.A OE2 no hydrogen 2.824 N/A ARG 99.A N SER 189.A O no hydrogen 2.993 N/A ARG 99.A NE PRO 188.A O no hydrogen 2.914 N/A ARG 101.A N SER 98.A OG no hydrogen 3.078 N/A GLU 103.A N GLU 107.A OE1 no hydrogen 2.793 N/A ILE 106.A N GLU 103.A O no hydrogen 3.001 N/A GLU 107.A N GLU 103.A O no hydrogen 2.889 N/A LYS 108.A N ILE 94.A O no hydrogen 2.810 N/A SER 110.A N VAL 92.A O no hydrogen 2.937 N/A GLU 113.A N LYS 135.A O no hydrogen 2.683 N/A LYS 114.A N LYS 135.A O no hydrogen 3.418 N/A ILE 115.A N GLU 87.A OE2 no hydrogen 2.826 N/A TYR 116.A N LEU 133.A O no hydrogen 2.770 N/A HIS 118.A N ILE 131.A O no hydrogen 3.228 N/A ARG 120.A N HIS 118.A ND1 no hydrogen 2.964 N/A TYR 121.A N HIS 118.A O no hydrogen 2.999 N/A TYR 121.A OH LEU 77.A O no hydrogen 2.724 N/A ASN 122.A N ASP 128.A O no hydrogen 2.962 N/A ARG 124.A N ASN 122.A OD1 no hydrogen 2.980 N/A ASP 128.A N ASN 122.A O no hydrogen 3.006 N/A ARG 129.A N ASP 128.A OD1 no hydrogen 2.929 N/A ILE 131.A N ARG 129.A O no hydrogen 2.917 N/A ALA 132.A N THR 71.A O no hydrogen 2.910 N/A LEU 133.A N TYR 116.A O no hydrogen 2.753 N/A MET 134.A N VAL 69.A O no hydrogen 2.887 N/A LYS 135.A N LYS 114.A O no hydrogen 2.894 N/A LYS 135.A NZ PHE 288.A O no hydrogen 2.917 N/A LEU 136.A N ARG 67.A O no hydrogen 2.862 N/A LYS 137.A N MET 111.A O no hydrogen 2.967 N/A LYS 138.A NZ LYS 137.A O no hydrogen 3.060 N/A VAL 140.A N ASP 66.A O no hydrogen 2.872 N/A SER 143.A N ILE 146.A O no hydrogen 2.782 N/A TYR 145.A N SER 143.A OG no hydrogen 3.088 N/A HIS 147.A N PRO 44.A O no hydrogen 3.149 N/A HIS 147.A NE2 ASP 3A.A O no hydrogen 2.783 N/A VAL 149.A N LEU 63.A O no hydrogen 3.017 N/A CYS 150.A N TRP 250.A O no hydrogen 3.107 N/A THR 156.A N ASP 153.A OD1 no hydrogen 3.318 N/A THR 156.A OG1 ASP 153.A OD1 no hydrogen 3.494 N/A THR 156.A OG1 ASP 153.A OD2 no hydrogen 2.902 N/A ALA 157.A N ASP 153.A O no hydrogen 2.852 N/A LEU 161.A N ALA 157.A O no hydrogen 3.373 N/A GLN 162.A N LEU 160C.A O no hydrogen 3.105 N/A GLN 162.A NE2 ALA 158A.A O no hydrogen 3.630 N/A GLN 162.A NE2 SER 159B.A O no hydrogen 2.965 N/A GLY 164.A N ILE 198.A O no hydrogen 2.821 N/A TYR 165.A N GLN 162.A O no hydrogen 3.109 N/A LYS 166.A NZ TYR 27J.A O no hydrogen 2.580 N/A GLY 167.A N LEU 196.A O no hydrogen 2.847 N/A ARG 168.A N VAL 241.A O no hydrogen 2.859 N/A ARG 168.A NE ASN 195.A OD1 no hydrogen 3.097 N/A ARG 168.A NH1 ASP 17.A OD2 no hydrogen 2.813 N/A ARG 168.A NH2 ASP 17.A OD1 no hydrogen 2.936 N/A ARG 168.A NH2 ASP 17.A OD2 no hydrogen 3.437 N/A VAL 169.A N VAL 194.A O no hydrogen 2.878 N/A THR 170.A OG1 SER 43.A OG no hydrogen 3.225 N/A THR 170.A OG1 GLN 46.A OE1 no hydrogen 2.479 N/A GLY 171.A N GLN 192.A O no hydrogen 3.171 N/A TRP 172.A N ASP 235.A OD1 no hydrogen 2.867 N/A TRP 172.A N ASP 235.A OD2 no hydrogen 3.112 N/A TRP 172.A NE1 HIS 97.A O no hydrogen 2.896 N/A GLY 173.A N GLU 233.A O no hydrogen 2.993 N/A ASN 174.A N ASP 235.A OD1 no hydrogen 2.823 N/A ASN 174.A ND2 LEU 58.A O no hydrogen 2.954 N/A LEU 175.A N GLY 234.A O no hydrogen 3.065 N/A LYS 176.A N CYS 232.A O.A no hydrogen 3.228 N/A LYS 176.A N CYS 232.A O.B no hydrogen 3.223 N/A LYS 176.A NZ CYS 262.A O.A no hydrogen 3.323 N/A LYS 176.A NZ CYS 262.A O.B no hydrogen 3.146 N/A GLU 177.A N GLY 173.A O no hydrogen 2.990 N/A THR 178.A N ASN 174.A O no hydrogen 2.872 N/A THR 178.A OG1 ASN 174.A O no hydrogen 3.042 N/A TRP 179.A N LEU 175.A O no hydrogen 2.977 N/A THR 180.A N LYS 176.A O no hydrogen 2.713 N/A THR 180.A OG1 ASN 182B.A O no hydrogen 2.579 N/A GLN 187.A NE2 TRP 172.A O no hydrogen 2.990 N/A LEU 191.A N HIS 97.A O no hydrogen 2.849 N/A GLN 192.A N GLY 171.A O no hydrogen 2.815 N/A VAL 193.A N SER 36.A O no hydrogen 2.861 N/A VAL 194.A N VAL 169.A O no hydrogen 2.999 N/A ASN 195.A ND2 THR 19B.A OG1 no hydrogen 3.010 N/A LEU 196.A N GLY 167.A O no hydrogen 2.822 N/A ILE 198.A N TYR 165.A O no hydrogen 2.726 N/A VAL 199.A N CYS 218.A O.A no hydrogen 2.825 N/A VAL 199.A N CYS 218.A O.B no hydrogen 3.069 N/A ARG 201.A NH1 THR 213.A O no hydrogen 3.105 N/A ARG 201.A NH1 MET 216.A O no hydrogen 2.929 N/A ARG 201.A NH2 MET 216.A O no hydrogen 2.823 N/A CYS 204.A N.A GLU 200.A O no hydrogen 3.032 N/A CYS 204.A N.B GLU 200.A O no hydrogen 3.075 N/A CYS 204.A SG.A VAL 199.A O no hydrogen 3.662 N/A CYS 204.A SG.A GLU 200.A O no hydrogen 3.283 N/A LYS 205.A N ARG 201.A O no hydrogen 3.070 N/A ASP 206.A N PRO 202.A O no hydrogen 3.145 N/A SER 207.A N CYS 204.A O.A no hydrogen 3.091 N/A SER 207.A N CYS 204.A O.B no hydrogen 3.143 N/A SER 207.A OG CYS 204.A O.A no hydrogen 2.590 N/A SER 207.A OG CYS 204.A O.B no hydrogen 2.649 N/A THR 208.A N LYS 205.A O no hydrogen 3.485 N/A ILE 210.A N THR 208.A OG1 no hydrogen 3.063 N/A THR 213.A OG1 ASP 128.A OD1 no hydrogen 2.811 N/A ASN 215.A N THR 213.A OG1 no hydrogen 3.226 N/A ASN 215.A ND2 ASP 128.A OD1 no hydrogen 2.927 N/A ASN 215.A ND2 ASP 128.A OD2 no hydrogen 3.531 N/A MET 216.A N THR 213.A O no hydrogen 3.115 N/A PHE 217.A N TYR 271.A O no hydrogen 2.852 N/A ALA 219.A N GLY 269.A O no hydrogen 3.167 N/A GLY 220.A N PRO 197.A O no hydrogen 2.873 N/A ARG 228.A N ILE 32.A O no hydrogen 2.750 N/A CYS 232.A N.A ASP 230.A OD2 no hydrogen 3.262 N/A CYS 232.A N.B ASP 230.A OD2 no hydrogen 3.283 N/A CYS 232.A SG.A ASP 230.A OD2 no hydrogen 2.752 N/A CYS 232.A SG.B ASP 230.A OD2 no hydrogen 3.051 N/A GLU 233.A N ASP 230.A O no hydrogen 3.088 N/A GLY 234.A N ALA 231.A O no hydrogen 2.829 N/A ALA 236.A N ASN 174.A OD1 no hydrogen 3.101 N/A GLY 237.A N VAL 256.A O no hydrogen 2.829 N/A GLY 238.A N ASP 235.A O no hydrogen 2.874 N/A PHE 240.A N GLY 254.A O no hydrogen 3.001 N/A VAL 241.A N ARG 168.A O no hydrogen 2.841 N/A MET 242.A N TYR 251.A O no hydrogen 2.928 N/A LYS 243.A NZ GLU 11.A OE2 no hydrogen 2.697 N/A LYS 243.A NZ ASN 248.A OD1 no hydrogen 3.105 N/A LYS 243.A NZ GLU 20C.A OE1 no hydrogen 2.674 N/A SER 244.A N ARG 249.A O no hydrogen 2.884 N/A ASN 248.A N SER 244.A O no hydrogen 3.043 N/A ARG 249.A NH1 CYS 4.A O no hydrogen 2.758 N/A ARG 249.A NH1 ALA 2B.A O no hydrogen 3.140 N/A ARG 249.A NH2 ALA 2B.A O no hydrogen 3.537 N/A TRP 250.A N GLY 5.A O no hydrogen 2.938 N/A TRP 250.A NE1 GLU 11.A OE2 no hydrogen 2.791 N/A TYR 251.A N MET 242.A O no hydrogen 2.877 N/A TYR 251.A OH ASN 247B.A OD1 no hydrogen 2.752 N/A GLN 252.A N CYS 150.A O no hydrogen 2.831 N/A GLN 252.A NE2 GLY 254.A O no hydrogen 3.051 N/A MET 253.A N PHE 240.A O no hydrogen 2.891 N/A GLY 254.A N PHE 240.A O no hydrogen 3.160 N/A ILE 255.A N THR 272.A O no hydrogen 3.117 N/A VAL 256.A N GLY 238.A O no hydrogen 2.797 N/A SER 257.A N PHE 270.A O no hydrogen 3.038 N/A SER 257.A OG ASP 130.A OD2 no hydrogen 2.619 N/A TRP 258.A NE1 GLU 260.A OE2 no hydrogen 2.882 N/A CYS 262.A N.A GLY 259.A O no hydrogen 2.809 N/A CYS 262.A N.B GLY 259.A O no hydrogen 2.811 N/A GLY 269.A N ALA 219.A O no hydrogen 2.868 N/A TYR 271.A N PHE 217.A O no hydrogen 2.885 N/A THR 272.A N ILE 255.A O no hydrogen 2.807 N/A THR 272.A OG1 ASP 130.A O no hydrogen 2.970 N/A HIS 273.A N ASN 215.A O no hydrogen 2.890 N/A VAL 274.A N MET 253.A O no hydrogen 3.138 N/A ARG 276.A N HIS 273.A ND1 no hydrogen 3.167 N/A ARG 276.A NE ASN 215.A OD1 no hydrogen 2.938 N/A ARG 276.A NH2 ASN 215.A OD1 no hydrogen 3.544 N/A LEU 277.A N VAL 274.A O no hydrogen 2.988 N/A LYS 278.A N PHE 275.A O no hydrogen 3.077 N/A LYS 278.A NZ PRO 152.A O no hydrogen 2.912 N/A ILE 281.A N LEU 277.A O no hydrogen 3.262 N/A GLN 282.A N LYS 278.A O no hydrogen 2.804 N/A GLN 282.A NE2 ASP 286.A OD1 no hydrogen 2.954 N/A LYS 283.A N LYS 279.A O no hydrogen 3.026 N/A VAL 284.A N TRP 280.A O no hydrogen 2.998 N/A ILE 285.A N ILE 281.A O no hydrogen 3.048 N/A ASP 286.A N GLN 282.A O no hydrogen 2.786 N/A GLN 287.A N LYS 283.A O no hydrogen 2.784 N/A PHE 288.A N VAL 284.A O no hydrogen 2.794 N/A LYS 18A.A N GLU 39.A OE2 no hydrogen 2.838 N/A TYR 78A.A N LYS 83F.A O no hydrogen 2.858 N/A ALA 158A.A N ARG 154.A O no hydrogen 3.179 N/A TYR 221A.A OH ASN 195.A O no hydrogen 2.766 N/A PHE 246A.A N SER 244.A OG no hydrogen 2.977 N/A THR 19B.A N ASP 17.A OD1 no hydrogen 2.984 N/A SER 159B.A N GLU 155.A O no hydrogen 3.003 N/A SER 159B.A OG GLU 155.A O no hydrogen 3.336 N/A SER 159B.A OG THR 156.A O no hydrogen 3.497 N/A GLU 20C.A N ASP 17.A OD1 no hydrogen 2.771 N/A LEU 160C.A N THR 156.A O no hydrogen 3.013 N/A ARG 21D.A NE GLU 16.A OE2 no hydrogen 2.727 N/A ARG 21D.A NH2 GLU 16.A OE1 no hydrogen 2.886 N/A ARG 21D.A NH2 GLU 16.A OE2 no hydrogen 3.446 N/A TRP 81D.A N TYR 78A.A O no hydrogen 2.992 N/A LYS 227D.A N GLU 225B.A O no hydrogen 2.796 N/A LYS 227D.A NZ ASP 29L.A O no hydrogen 3.459 N/A ASP 82E.A N PRO 79B.A O no hydrogen 2.927 N/A LEU 23F.A N THR 19B.A O no hydrogen 3.199 N/A LYS 83F.A N TYR 78A.A O no hydrogen 3.159 N/A LYS 83F.A NZ HIS 74.A O no hydrogen 3.036 N/A LEU 24G.A N GLU 20C.A O no hydrogen 2.897 N/A GLU 25H.A N ARG 21D.A O no hydrogen 2.935 N/A PHE 85H.A N LEU 76.A O no hydrogen 2.845 N/A SER 26I.A N LEU 23F.A O no hydrogen 2.984 N/A THR 86I.A N ASP 89.A OD2 no hydrogen 2.954 N/A TYR 27J.A N GLU 22E.A O no hydrogen 2.917 N/A TYR 27J.A OH ASP 29L.A OD1 no hydrogen 2.602 N/A