Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sqh_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N GLU 1C.A O no hydrogen 3.160 N/A CYS 4.A SG GLU 1C.A O no hydrogen 2.993 N/A GLY 5.A N PRO 148.A O no hydrogen 2.959 N/A ARG 7.A N GLU 11.A OE1 no hydrogen 2.962 N/A ARG 7.A NE GLU 11.A OE1 no hydrogen 2.844 N/A ARG 7.A NE GLU 11.A OE2 no hydrogen 3.393 N/A ARG 7.A NH1 ASP 17.A OD2 no hydrogen 2.849 N/A ARG 7.A NH1 MET 42.A O no hydrogen 2.815 N/A ARG 7.A NH2 GLU 11.A OE2 no hydrogen 3.008 N/A ARG 7.A NH2 ASP 17.A OD2 no hydrogen 2.910 N/A PHE 10.A N ARG 7.A O no hydrogen 3.204 N/A LYS 12.A N ARG 7.A O no hydrogen 3.091 N/A LYS 12.A NZ ASP 3A.A OD2 no hydrogen 2.432 N/A SER 14.A N GLU 11.A O no hydrogen 3.296 N/A LEU 15.A N PHE 10.A O no hydrogen 2.786 N/A ASP 17.A N GLU 20C.A OE2 no hydrogen 2.727 N/A ARG 31.A N ASP 29L.A OD2 no hydrogen 3.147 N/A ARG 31.A NH1 GLU 34.A OE2 no hydrogen 3.474 N/A ARG 31.A NH1 GLU 22E.A OE1 no hydrogen 3.234 N/A ARG 31.A NH2 GLU 22E.A OE2 no hydrogen 3.256 N/A SER 36.A N VAL 187.A O no hydrogen 3.153 N/A SER 36.A OG ASP 37.A O no hydrogen 2.940 N/A ALA 38.A N LEU 185.A O no hydrogen 2.730 N/A MET 42.A N GLU 39.A O no hydrogen 3.134 N/A SER 43.A OG GLN 46.A OE1 no hydrogen 2.660 N/A SER 43.A OG THR 170.A OG1 no hydrogen 3.107 N/A GLN 46.A N SER 43.A O no hydrogen 3.247 N/A GLN 46.A NE2 THR 170.A O no hydrogen 2.891 N/A VAL 47.A N ALA 61.A O no hydrogen 2.812 N/A MET 48.A N ARG 93.A O no hydrogen 2.940 N/A LEU 49.A N CYS 59.A O no hydrogen 2.892 N/A PHE 50.A N LEU 91.A O no hydrogen 2.657 N/A ARG 51.A N GLU 56.A O no hydrogen 2.951 N/A LYS 52.A N ASP 89.A O no hydrogen 2.669 N/A LYS 52.A NZ ASN 88.A O no hydrogen 3.034 N/A LEU 58.A N LEU 49.A O no hydrogen 2.845 N/A CYS 59.A SG LEU 58.A O no hydrogen 3.016 N/A GLY 60.A N ALA 230.A O no hydrogen 2.751 N/A ALA 61.A N VAL 47.A O no hydrogen 2.953 N/A SER 62.A N LEU 70.A O no hydrogen 2.924 N/A SER 62.A OG GLN 246.A OE1 no hydrogen 2.551 N/A LEU 63.A N TRP 45.A O no hydrogen 2.730 N/A ILE 64.A N TRP 68.A O no hydrogen 3.139 N/A ARG 67.A N SER 65.A OG no hydrogen 3.325 N/A ARG 67.A NH1 GLU 284.A O no hydrogen 2.968 N/A ARG 67.A NH2 ASP 66.A OD2 no hydrogen 3.442 N/A TRP 68.A N SER 65.A O no hydrogen 3.425 N/A VAL 69.A N MET 134.A O no hydrogen 2.944 N/A LEU 70.A N SER 62.A O no hydrogen 2.846 N/A THR 71.A N ALA 132.A O no hydrogen 3.093 N/A THR 71.A OG1 GLY 60.A O no hydrogen 2.744 N/A HIS 74.A N ASP 130.A OD1 no hydrogen 2.940 N/A HIS 74.A ND1 ASP 130.A OD2 no hydrogen 2.620 N/A CYS 75.A N ALA 72.A O no hydrogen 3.331 N/A CYS 75.A SG ALA 230.A O no hydrogen 3.464 N/A LEU 76.A N ALA 73.A O no hydrogen 2.950 N/A LEU 77.A N ALA 73.A O no hydrogen 2.821 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.731 N/A ASP 89.A N THR 86I.A O no hydrogen 3.054 N/A LEU 90.A N GLU 87.A O no hydrogen 3.497 N/A LEU 91.A N PHE 50.A O no hydrogen 2.821 N/A VAL 92.A N SER 110.A O no hydrogen 3.133 N/A ARG 93.A N MET 48.A O no hydrogen 2.804 N/A ARG 93.A NE GLU 107.A OE2 no hydrogen 2.944 N/A ARG 93.A NH2 GLU 107.A OE1 no hydrogen 2.965 N/A ARG 93.A NH2 GLU 107.A OE2 no hydrogen 3.449 N/A ILE 94.A N LYS 108.A O no hydrogen 2.925 N/A LYS 96.A NZ ARG 101.A O no hydrogen 2.765 N/A LYS 96.A NZ GLU 103.A OE1 no hydrogen 2.860 N/A LYS 96.A NZ GLU 107.A OE1 no hydrogen 2.586 N/A HIS 97.A N GLU 103.A OE1 no hydrogen 3.011 N/A SER 98.A N GLU 103.A OE2 no hydrogen 2.771 N/A ARG 99.A N SER 183.A O no hydrogen 2.669 N/A GLU 103.A N GLU 107.A OE1 no hydrogen 2.962 N/A ILE 106.A N GLU 103.A O no hydrogen 3.175 N/A GLU 107.A N GLU 103.A O no hydrogen 2.895 N/A LYS 108.A N ILE 94.A O no hydrogen 2.804 N/A LYS 108.A NZ ALA 141.A O no hydrogen 3.199 N/A SER 110.A N VAL 92.A O no hydrogen 3.059 N/A GLU 113.A N LYS 135.A O no hydrogen 2.706 N/A LYS 114.A N LYS 135.A O no hydrogen 3.472 N/A ILE 115.A N GLU 87.A OE2 no hydrogen 3.080 N/A TYR 116.A N LEU 133.A O no hydrogen 2.940 N/A HIS 118.A N ILE 131.A O no hydrogen 3.267 N/A ARG 120.A N HIS 118.A ND1 no hydrogen 2.902 N/A TYR 121.A N HIS 118.A O no hydrogen 2.841 N/A TYR 121.A OH LEU 77.A O no hydrogen 2.808 N/A ASN 122.A N ASP 128.A O no hydrogen 2.920 N/A ASN 126.A ND2 ARG 205.A O no hydrogen 2.928 N/A ASP 128.A N ASN 126.A OD1 no hydrogen 2.983 N/A ALA 132.A N THR 71.A O no hydrogen 2.972 N/A LEU 133.A N TYR 116.A O no hydrogen 2.852 N/A MET 134.A N VAL 69.A O no hydrogen 2.879 N/A LYS 135.A N LYS 114.A O no hydrogen 2.826 N/A LYS 135.A NZ TYR 116.A OH no hydrogen 3.395 N/A LYS 135.A NZ PHE 282.A O no hydrogen 3.081 N/A LEU 136.A N ARG 67.A O no hydrogen 2.794 N/A LYS 137.A N MET 111.A O no hydrogen 2.876 N/A VAL 140.A N ASP 66.A O no hydrogen 3.075 N/A SER 143.A N ILE 146.A O no hydrogen 3.132 N/A TYR 145.A N SER 143.A OG no hydrogen 3.042 N/A HIS 147.A N PRO 44.A O no hydrogen 3.214 N/A HIS 147.A NE2 ASP 3A.A O no hydrogen 2.976 N/A VAL 149.A N LEU 63.A O no hydrogen 2.965 N/A CYS 150.A N TRP 244.A O no hydrogen 3.072 N/A THR 156.A N ASP 153.A OD1 no hydrogen 2.792 N/A THR 156.A OG1 ASP 153.A OD1 no hydrogen 3.127 N/A THR 156.A OG1 ASP 153.A OD2 no hydrogen 3.088 N/A ALA 157.A N ASP 153.A O no hydrogen 2.741 N/A GLN 162.A NE2 ALA 158A.A O no hydrogen 3.619 N/A GLN 162.A NE2 SER 159B.A O no hydrogen 3.330 N/A GLY 164.A N ILE 192.A O no hydrogen 2.783 N/A TYR 165.A N GLN 162.A O no hydrogen 2.969 N/A LYS 166.A NZ TYR 27J.A O no hydrogen 3.060 N/A GLY 167.A N LEU 190.A O no hydrogen 2.864 N/A ARG 168.A N VAL 235.A O no hydrogen 2.978 N/A ARG 168.A NE ASN 189.A OD1 no hydrogen 3.022 N/A ARG 168.A NH1 ASP 17.A OD2 no hydrogen 2.784 N/A ARG 168.A NH2 ASP 17.A OD1 no hydrogen 2.848 N/A ARG 168.A NH2 ASP 17.A OD2 no hydrogen 3.515 N/A VAL 169.A N VAL 188.A O no hydrogen 2.910 N/A THR 170.A OG1 SER 43.A OG no hydrogen 3.107 N/A THR 170.A OG1 GLN 46.A OE1 no hydrogen 2.459 N/A GLY 171.A N GLN 186.A O no hydrogen 3.010 N/A TRP 172.A N ASP 229.A OD2 no hydrogen 3.113 N/A TRP 172.A NE1 HIS 97.A O no hydrogen 2.911 N/A GLY 173.A N GLU 227.A O no hydrogen 2.927 N/A ASN 174.A N ASP 229.A OD1 no hydrogen 2.719 N/A ASN 174.A ND2 LEU 58.A O no hydrogen 3.249 N/A LEU 175.A N GLY 228.A O no hydrogen 3.034 N/A LYS 176.A N GLY 173.A O no hydrogen 3.143 N/A LYS 176.A NZ ASP 224.A OD1 no hydrogen 2.867 N/A GLU 177.A N GLY 173.A O no hydrogen 3.081 N/A THR 178.A N ASN 174.A O no hydrogen 3.092 N/A THR 178.A OG1 ASN 174.A O no hydrogen 3.021 N/A LEU 185.A N HIS 97.A O no hydrogen 2.931 N/A GLN 186.A N GLY 171.A O no hydrogen 2.919 N/A VAL 187.A N SER 36.A O no hydrogen 2.935 N/A VAL 188.A N VAL 169.A O no hydrogen 2.925 N/A LEU 190.A N GLY 167.A O no hydrogen 2.833 N/A ILE 192.A N TYR 165.A O no hydrogen 2.808 N/A VAL 193.A N CYS 212.A O no hydrogen 2.906 N/A ARG 195.A NH1 THR 207.A O no hydrogen 3.128 N/A ARG 195.A NH1 MET 210.A O no hydrogen 3.173 N/A ARG 195.A NH2 MET 210.A O no hydrogen 2.759 N/A VAL 197.A N GLU 194.A O no hydrogen 2.971 N/A CYS 198.A N GLU 194.A O no hydrogen 3.173 N/A CYS 198.A SG VAL 193.A O no hydrogen 3.630 N/A CYS 198.A SG GLU 194.A O no hydrogen 3.655 N/A CYS 198.A SG CYS 212.A O no hydrogen 3.822 N/A LYS 199.A N ARG 195.A O no hydrogen 2.790 N/A ASP 200.A N PRO 196.A O no hydrogen 2.911 N/A SER 201.A N CYS 198.A O no hydrogen 3.276 N/A SER 201.A OG CYS 198.A O no hydrogen 3.122 N/A THR 202.A N LYS 199.A O no hydrogen 3.410 N/A THR 202.A OG1 GLU 254.A OE1 no hydrogen 3.457 N/A THR 202.A OG1 GLU 254.A OE2 no hydrogen 2.709 N/A ILE 204.A N THR 202.A OG1 no hydrogen 3.323 N/A THR 207.A OG1 ASP 128.A OD1 no hydrogen 2.826 N/A ASN 209.A N THR 207.A OG1 no hydrogen 3.233 N/A ASN 209.A ND2 ASP 128.A OD1 no hydrogen 2.904 N/A MET 210.A N THR 207.A O no hydrogen 3.071 N/A PHE 211.A N TYR 265.A O no hydrogen 2.948 N/A ALA 213.A N GLY 263.A O no hydrogen 3.143 N/A GLY 214.A N PRO 191.A O no hydrogen 2.836 N/A ARG 222.A N ILE 32.A O no hydrogen 2.978 N/A CYS 226.A SG ASP 224.A OD2 no hydrogen 3.627 N/A GLU 227.A N ASP 224.A O no hydrogen 3.423 N/A GLY 228.A N ALA 225.A O no hydrogen 3.125 N/A ALA 230.A N ASN 174.A OD1 no hydrogen 3.045 N/A GLY 231.A N VAL 250.A O no hydrogen 2.964 N/A GLY 232.A N ASP 229.A O no hydrogen 2.928 N/A PHE 234.A N GLY 248.A O no hydrogen 2.861 N/A VAL 235.A N ARG 168.A O no hydrogen 2.830 N/A MET 236.A N TYR 245.A O no hydrogen 2.842 N/A LYS 237.A NZ GLU 11.A OE2 no hydrogen 2.723 N/A LYS 237.A NZ ASN 242.A OD1 no hydrogen 2.928 N/A LYS 237.A NZ GLU 20C.A OE1 no hydrogen 2.733 N/A SER 238.A N ARG 243.A O no hydrogen 2.875 N/A ASN 242.A N SER 238.A O no hydrogen 3.268 N/A ARG 243.A NH1 CYS 4.A O no hydrogen 3.081 N/A ARG 243.A NH1 ALA 2B.A O no hydrogen 2.669 N/A TRP 244.A N GLY 5.A O no hydrogen 3.121 N/A TRP 244.A NE1 GLU 11.A OE2 no hydrogen 2.966 N/A TYR 245.A N MET 236.A O no hydrogen 2.752 N/A TYR 245.A OH ASN 241B.A OD1 no hydrogen 3.171 N/A GLN 246.A N CYS 150.A O no hydrogen 2.898 N/A GLN 246.A NE2 GLY 248.A O no hydrogen 2.911 N/A MET 247.A N PHE 234.A O no hydrogen 2.953 N/A GLY 248.A N PHE 234.A O no hydrogen 3.096 N/A ILE 249.A N THR 266.A O no hydrogen 3.047 N/A VAL 250.A N GLY 232.A O no hydrogen 2.835 N/A SER 251.A N PHE 264.A O no hydrogen 2.937 N/A SER 251.A OG ASP 130.A OD2 no hydrogen 2.685 N/A TRP 252.A N PHE 264.A O no hydrogen 3.339 N/A TRP 252.A NE1 GLU 254.A OE1 no hydrogen 2.683 N/A GLU 254.A N TYR 262.A O no hydrogen 2.904 N/A CYS 256.A SG LEU 175.A O no hydrogen 3.974 N/A LYS 261.A NZ SER 201.A O no hydrogen 2.981 N/A GLY 263.A N ALA 213.A O no hydrogen 2.998 N/A PHE 264.A N TRP 252.A O no hydrogen 2.624 N/A TYR 265.A N PHE 211.A O no hydrogen 2.862 N/A THR 266.A N ILE 249.A O no hydrogen 2.735 N/A THR 266.A OG1 ASP 130.A O no hydrogen 2.890 N/A HIS 267.A N ASN 209.A O no hydrogen 2.912 N/A VAL 268.A N MET 247.A O no hydrogen 3.181 N/A ARG 270.A N HIS 267.A ND1 no hydrogen 3.323 N/A LEU 271.A N VAL 268.A O no hydrogen 2.996 N/A LYS 272.A N PHE 269.A O no hydrogen 2.894 N/A LYS 272.A NZ PRO 152.A O no hydrogen 2.893 N/A ILE 275.A N LEU 271.A O no hydrogen 3.312 N/A GLN 276.A N LYS 272.A O no hydrogen 2.929 N/A LYS 277.A N LYS 273.A O no hydrogen 3.208 N/A LYS 277.A NZ GLN 281.A OE1 no hydrogen 2.921 N/A VAL 278.A N TRP 274.A O no hydrogen 3.036 N/A ILE 279.A N ILE 275.A O no hydrogen 3.021 N/A ASP 280.A N GLN 276.A O no hydrogen 2.629 N/A GLN 281.A N LYS 277.A O no hydrogen 2.794 N/A PHE 282.A N VAL 278.A O no hydrogen 2.786 N/A LYS 18A.A N GLU 39.A OE2 no hydrogen 2.770 N/A TYR 78A.A N LYS 83F.A O no hydrogen 2.772 N/A GLU 125A.A N ASN 122.A OD1 no hydrogen 3.106 N/A ALA 158A.A N ARG 154.A O no hydrogen 3.012 N/A TYR 215A.A OH ASN 189.A O no hydrogen 2.551 N/A PHE 240A.A N SER 238.A OG no hydrogen 2.959 N/A THR 19B.A N ASP 17.A OD1 no hydrogen 2.992 N/A SER 159B.A N GLU 155.A O no hydrogen 3.035 N/A SER 159B.A OG GLU 155.A O no hydrogen 2.670 N/A ASN 241B.A N SER 238.A OG no hydrogen 3.426 N/A LEU 160C.A N THR 156.A O no hydrogen 3.171 N/A ARG 21D.A NE GLU 16.A OE1 no hydrogen 3.247 N/A ARG 21D.A NE GLU 16.A OE2 no hydrogen 2.852 N/A ARG 21D.A NH2 GLU 16.A OE1 no hydrogen 2.777 N/A TRP 81D.A N TYR 78A.A O no hydrogen 2.927 N/A LYS 221D.A NZ ARG 31.A O no hydrogen 3.185 N/A LYS 221D.A NZ ASP 29L.A O no hydrogen 3.192 N/A ASP 82E.A N PRO 79B.A O no hydrogen 2.824 N/A LEU 23F.A N THR 19B.A O no hydrogen 3.326 N/A LYS 83F.A N TYR 78A.A O no hydrogen 3.200 N/A LYS 83F.A NZ HIS 74.A O no hydrogen 2.852 N/A LEU 24G.A N GLU 20C.A O no hydrogen 2.918 N/A GLU 25H.A N ARG 21D.A O no hydrogen 2.924 N/A PHE 85H.A N LEU 76.A O no hydrogen 2.944 N/A SER 26I.A N LEU 23F.A O no hydrogen 3.162 N/A THR 86I.A N ASP 89.A OD2 no hydrogen 2.655 N/A THR 86I.A OG1 ASP 89.A OD2 no hydrogen 2.536 N/A TYR 27J.A N GLU 22E.A O no hydrogen 2.952 N/A TYR 27J.A OH ASP 29L.A OD1 no hydrogen 2.488 N/A