Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sth_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N ASP 26.A O no hydrogen 2.817 N/A LEU 5.A N GLU 28.A O no hydrogen 2.815 N/A GLY 6.A N TYR 93.A O no hydrogen 2.794 N/A ILE 7.A N ALA 31.A O no hydrogen 2.988 N/A ASN 8.A N CYS 95.A O no hydrogen 2.862 N/A ASN 8.A ND2 GLU 96.A OE1 no hydrogen 2.826 N/A GLY 9.A N ASN 33.A O no hydrogen 2.811 N/A PHE 10.A N ASP 34.A OD2 no hydrogen 2.824 N/A ARG 12.A NE GLU 320.A OE2 no hydrogen 2.797 N/A ARG 12.A NH1 ASP 49.A OD2 no hydrogen 2.909 N/A ARG 12.A NH2 ASP 49.A OD1 no hydrogen 2.978 N/A ARG 12.A NH2 ASP 49.A OD2 no hydrogen 3.331 N/A ARG 12.A NH2 GLU 320.A OE1 no hydrogen 3.051 N/A ARG 12.A NH2 GLU 320.A OE2 no hydrogen 3.426 N/A ARG 15.A N GLY 11.A O no hydrogen 2.867 N/A ARG 15.A NE LEU 45.A O no hydrogen 3.289 N/A ARG 15.A NH2 PHE 10.A O no hydrogen 2.821 N/A LEU 16.A N ARG 12.A O no hydrogen 3.245 N/A VAL 17.A N ILE 13.A O no hydrogen 2.735 N/A PHE 18.A N GLY 14.A O no hydrogen 2.971 N/A ARG 19.A N ARG 15.A O no hydrogen 3.018 N/A ARG 19.A NH1 HIS 52.A O no hydrogen 2.946 N/A ARG 19.A NH2 GLY 53.A O no hydrogen 2.700 N/A ALA 20.A N LEU 16.A O no hydrogen 2.886 N/A ALA 21.A N VAL 17.A O no hydrogen 2.840 N/A MET 22.A N PHE 18.A O no hydrogen 2.991 N/A GLU 23.A N ARG 19.A O no hydrogen 3.247 N/A GLU 23.A N ALA 20.A O no hydrogen 3.094 N/A ARG 24.A N ALA 21.A O no hydrogen 3.394 N/A ARG 24.A NE ASP 26.A OD1 no hydrogen 2.741 N/A ARG 24.A NH2 ASP 26.A OD1 no hydrogen 3.328 N/A ARG 24.A NH2 ASP 26.A OD2 no hydrogen 3.033 N/A GLU 28.A N CYS 3.A O no hydrogen 2.974 N/A LEU 30.A N LEU 5.A O no hydrogen 2.856 N/A ILE 32.A N THR 74.A O no hydrogen 2.924 N/A ASN 33.A N ILE 7.A O no hydrogen 2.833 N/A ASN 33.A ND2 ASN 8.A OD1 no hydrogen 2.853 N/A ASN 33.A ND2 GLU 78.A O no hydrogen 2.734 N/A ASP 34.A N PHE 76.A O no hydrogen 3.068 N/A PHE 36.A N ASP 34.A OD1 no hydrogen 3.062 N/A TYR 41.A N SER 38.A OG no hydrogen 3.167 N/A MET 42.A N SER 38.A O no hydrogen 2.779 N/A VAL 43.A N LEU 39.A O no hydrogen 2.968 N/A TYR 44.A N ASP 40.A O no hydrogen 3.057 N/A LEU 45.A N TYR 41.A O no hydrogen 2.930 N/A LEU 46.A N MET 42.A O no hydrogen 3.040 N/A ARG 47.A N VAL 43.A O no hydrogen 2.859 N/A ARG 47.A NE VAL 59.A O no hydrogen 3.136 N/A ARG 47.A NH1 VAL 59.A O no hydrogen 2.724 N/A TYR 48.A N TYR 44.A O no hydrogen 3.083 N/A VAL 51.A N ASP 49.A OD1 no hydrogen 3.018 N/A HIS 52.A N ASP 49.A OD1 no hydrogen 2.908 N/A HIS 52.A ND1 HIS 291.A ND1 no hydrogen 2.976 N/A HIS 52.A NE2 GLU 320.A OE1 no hydrogen 2.768 N/A TYR 55.A N ARG 47.A O no hydrogen 2.783 N/A SER 60.A N ILE 67.A O no hydrogen 3.046 N/A HIS 61.A NE2 ASP 40.A OD1 no hydrogen 2.617 N/A LYS 62.A N LYS 65.A O no hydrogen 2.932 N/A LYS 62.A NZ ASP 63.A OD2 no hydrogen 3.502 N/A LYS 65.A N LYS 62.A O no hydrogen 2.980 N/A LEU 66.A N VAL 73.A O no hydrogen 2.930 N/A ILE 67.A N SER 60.A O no hydrogen 2.824 N/A VAL 68.A N LYS 71.A O no hydrogen 2.880 N/A LYS 71.A N VAL 68.A O no hydrogen 2.808 N/A VAL 73.A N LEU 66.A O no hydrogen 2.697 N/A THR 74.A N LEU 30.A O no hydrogen 3.046 N/A PHE 76.A N ILE 32.A O no hydrogen 2.847 N/A ASN 77.A ND2 ASP 34.A O no hydrogen 2.942 N/A GLU 78.A N ASN 33.A OD1 no hydrogen 2.718 N/A ALA 83.A N GLU 80.A O no hydrogen 2.978 N/A ILE 84.A N PRO 81.A O no hydrogen 3.007 N/A TRP 86.A N ILE 84.A O no hydrogen 2.775 N/A TRP 86.A NE1 HIS 110.A ND1 no hydrogen 3.079 N/A GLY 87.A N ASN 113.A OD1 no hydrogen 3.370 N/A ALA 89.A N PRO 85.A O no hydrogen 3.150 N/A GLY 90.A N GLY 87.A O no hydrogen 3.002 N/A VAL 91.A N TRP 86.A O no hydrogen 3.064 N/A HIS 92.A N LYS 4.A O no hydrogen 2.957 N/A TYR 93.A N LYS 4.A O no hydrogen 2.976 N/A TYR 93.A OH ASP 338.A OD2 no hydrogen 2.548 N/A ILE 94.A N LYS 117.A O no hydrogen 2.929 N/A CYS 95.A N GLY 6.A O no hydrogen 2.749 N/A CYS 95.A SG SER 97.A OG no hydrogen 3.599 N/A GLU 96.A N ILE 119.A O no hydrogen 2.910 N/A SER 97.A N ASN 8.A O no hydrogen 2.927 N/A SER 97.A OG ASN 8.A O no hydrogen 3.122 N/A SER 97.A OG GLY 9.A O no hydrogen 2.855 N/A THR 98.A N GLU 96.A OE2 no hydrogen 3.023 N/A THR 98.A OG1 GLU 96.A OE2 no hydrogen 2.533 N/A ILE 100.A N THR 98.A OG1 no hydrogen 3.075 N/A LYS 104.A N ASP 126.A OD2 no hydrogen 2.719 N/A LYS 104.A NZ ASP 127.A OD1 no hydrogen 3.017 N/A LYS 106.A N THR 103.A OG1 no hydrogen 3.126 N/A ALA 107.A N THR 103.A O no hydrogen 2.881 N/A GLN 108.A N LYS 104.A O no hydrogen 2.813 N/A ALA 109.A N LYS 106.A O no hydrogen 3.250 N/A HIS 110.A N ALA 107.A O no hydrogen 3.035 N/A HIS 110.A NE2 GLU 96.A OE1 no hydrogen 2.723 N/A LEU 111.A N GLN 108.A O no hydrogen 2.871 N/A ASN 113.A ND2 ILE 84.A O no hydrogen 3.055 N/A LYS 116.A N HIS 92.A O no hydrogen 2.749 N/A LYS 117.A N HIS 92.A O no hydrogen 3.134 N/A LYS 117.A NZ SER 142.A O no hydrogen 2.872 N/A LYS 117.A NZ ASP 338.A OD1 no hydrogen 3.493 N/A LYS 117.A NZ ASP 338.A OD2 no hydrogen 2.837 N/A VAL 118.A N VAL 145.A O no hydrogen 3.071 N/A ILE 119.A N ILE 94.A O no hydrogen 2.736 N/A MET 120.A N VAL 147.A O no hydrogen 2.786 N/A SER 121.A N GLU 96.A O no hydrogen 2.958 N/A SER 121.A OG GLU 96.A O no hydrogen 3.342 N/A LYS 125.A N LEU 102.A O no hydrogen 2.807 N/A THR 128.A N ASP 126.A OD1 no hydrogen 3.024 N/A THR 128.A OG1 ASP 126.A OD1 no hydrogen 2.682 N/A THR 128.A OG1 ASP 126.A OD2 no hydrogen 3.452 N/A PHE 131.A N SER 148.A O no hydrogen 2.859 N/A VAL 132.A N ASN 136.A OD1 no hydrogen 2.905 N/A GLY 134.A N ASN 137.A OD1 no hydrogen 2.889 N/A VAL 135.A N VAL 132.A O no hydrogen 3.070 N/A ASN 136.A N VAL 132.A O no hydrogen 3.097 N/A ASN 136.A ND2 MET 130.A O no hydrogen 3.254 N/A GLN 139.A N ASN 136.A O no hydrogen 2.925 N/A TYR 140.A N ASN 137.A O no hydrogen 2.929 N/A TYR 140.A OH ASP 338.A OD1 no hydrogen 2.691 N/A TYR 140.A OH ASP 338.A OD2 no hydrogen 3.164 N/A LYS 141.A N ASP 144.A OD2 no hydrogen 2.998 N/A SER 142.A OG GLN 337.A O no hydrogen 3.461 N/A SER 142.A OG ASP 338.A OD1 no hydrogen 2.670 N/A ASP 144.A N LYS 141.A O no hydrogen 2.813 N/A VAL 147.A N VAL 118.A O no hydrogen 3.010 N/A SER 148.A N PRO 129.A O no hydrogen 2.895 N/A SER 148.A OG ALA 122.A O no hydrogen 2.587 N/A ASN 149.A N MET 120.A O no hydrogen 2.998 N/A ALA 150.A N SER 148.A OG no hydrogen 2.874 N/A SER 151.A OG THR 154.A OG1 no hydrogen 3.047 N/A CYS 152.A SG HIS 179.A NE2 no hydrogen 3.379 N/A THR 153.A OG1 TYR 317.A OH no hydrogen 2.566 N/A THR 154.A N SER 151.A OG no hydrogen 3.007 N/A THR 154.A OG1 SER 151.A OG no hydrogen 3.047 N/A THR 154.A OG1 ALA 215.A O no hydrogen 2.848 N/A ASN 155.A N SER 151.A O no hydrogen 3.030 N/A ASN 155.A ND2 ASN 149.A O no hydrogen 2.905 N/A ASN 155.A ND2 SER 151.A O no hydrogen 2.782 N/A CYS 156.A N CYS 152.A O no hydrogen 3.045 N/A CYS 156.A N THR 153.A O no hydrogen 3.217 N/A CYS 156.A SG SER 296.A OG no hydrogen 3.659 N/A CYS 156.A SG SER 315.A O no hydrogen 3.397 N/A CYS 156.A SG TRP 316.A O no hydrogen 4.034 N/A LEU 157.A N THR 153.A O no hydrogen 2.944 N/A ALA 158.A N THR 154.A O no hydrogen 2.862 N/A ALA 161.A N LEU 157.A O no hydrogen 2.785 N/A LYS 162.A N ALA 158.A O no hydrogen 2.811 N/A LYS 162.A NZ ASP 166.A OD2 no hydrogen 2.596 N/A ILE 163.A N PRO 159.A O no hydrogen 3.213 N/A VAL 164.A N LEU 160.A O no hydrogen 3.051 N/A HIS 165.A N ALA 161.A O no hydrogen 2.853 N/A HIS 165.A NE2 SER 225.A OG no hydrogen 2.855 N/A ASP 166.A N LYS 162.A O no hydrogen 2.858 N/A LYS 167.A N ILE 163.A O no hydrogen 3.057 N/A PHE 168.A N VAL 164.A O no hydrogen 2.873 N/A GLY 169.A N VAL 164.A O no hydrogen 3.112 N/A ILE 170.A N HIS 165.A ND1 no hydrogen 2.999 N/A VAL 171.A N LYS 250.A O no hydrogen 2.829 N/A GLY 173.A N LYS 229.A O no hydrogen 2.864 N/A LEU 174.A N THR 248.A O no hydrogen 2.824 N/A MET 175.A N THR 231.A O no hydrogen 2.868 N/A THR 176.A N ASP 246.A O no hydrogen 2.922 N/A THR 177.A N MET 233.A O no hydrogen 3.019 N/A THR 177.A OG1 VAL 244.A O no hydrogen 3.384 N/A THR 177.A OG1 TYR 317.A OH no hydrogen 2.677 N/A VAL 178.A N VAL 244.A O no hydrogen 2.988 N/A HIS 179.A N PHE 235.A O no hydrogen 2.803 N/A HIS 179.A ND1 ALA 180.A O no hydrogen 2.630 N/A ALA 180.A N SER 243.A OG no hydrogen 3.021 N/A MET 181.A N VAL 239.A O no hydrogen 2.905 N/A THR 182.A N GLN 185.A OE1 no hydrogen 3.112 N/A THR 182.A OG1 ASN 184.A OD1 no hydrogen 2.388 N/A ASN 184.A N ASN 184.A OD1 no hydrogen 2.570 N/A GLN 185.A N THR 182.A O no hydrogen 3.105 N/A GLY 190.A N GLY 201.A O no hydrogen 2.727 N/A SER 192.A OG ASP 197.A O no hydrogen 2.718 N/A GLY 195.A N SER 192.A O no hydrogen 2.970 N/A ALA 200.A N ASP 197.A O no hydrogen 3.054 N/A ALA 200.A N ASP 197.A OD1 no hydrogen 3.192 N/A GLY 201.A N TRP 198.A O no hydrogen 3.002 N/A ARG 202.A N ARG 199.A O no hydrogen 3.137 N/A ARG 202.A NE ASP 189.A OD1 no hydrogen 3.100 N/A SER 203.A N ASP 189.A OD1 no hydrogen 2.801 N/A SER 203.A OG THR 187.A O no hydrogen 2.867 N/A ALA 204.A N LEU 186.A O no hydrogen 3.010 N/A ASN 207.A ND2 SER 203.A O no hydrogen 2.653 N/A ILE 209.A N ARG 236.A O no hydrogen 2.847 N/A ALA 211.A N ALA 234.A O no hydrogen 2.790 N/A ALA 215.A N THR 213.A OG1 no hydrogen 3.159 N/A ALA 218.A N GLY 214.A O no hydrogen 2.764 N/A VAL 219.A N ALA 216.A O no hydrogen 3.058 N/A GLY 220.A N LYS 217.A O no hydrogen 2.988 N/A LYS 221.A N ALA 218.A O no hydrogen 2.886 N/A ILE 222.A N ALA 218.A O no hydrogen 3.073 N/A ILE 223.A N VAL 219.A O no hydrogen 2.699 N/A SER 225.A OG HIS 165.A NE2 no hydrogen 2.855 N/A LEU 226.A N ILE 223.A O no hydrogen 2.899 N/A ASN 227.A N PRO 224.A O no hydrogen 3.054 N/A LYS 229.A N LEU 226.A O no hydrogen 2.869 N/A LYS 229.A NZ SER 225.A O no hydrogen 3.550 N/A THR 231.A N GLY 173.A O no hydrogen 3.448 N/A MET 233.A N MET 175.A O no hydrogen 2.991 N/A ALA 234.A N ALA 211.A O no hydrogen 2.777 N/A PHE 235.A N THR 177.A O no hydrogen 2.945 N/A ARG 236.A N ILE 209.A O no hydrogen 2.724 N/A ARG 236.A NH1 ASP 197.A OD2 no hydrogen 2.890 N/A VAL 237.A N HIS 179.A O no hydrogen 2.895 N/A VAL 239.A N VAL 237.A O no hydrogen 2.782 N/A SER 243.A N TYR 317.A O no hydrogen 2.837 N/A VAL 244.A N VAL 178.A O no hydrogen 3.058 N/A VAL 245.A N SER 315.A O no hydrogen 2.717 N/A ASP 246.A N THR 176.A O no hydrogen 2.835 N/A LEU 247.A N LEU 313.A O no hydrogen 2.791 N/A THR 248.A N LEU 174.A O no hydrogen 2.887 N/A CYS 249.A N VAL 311.A O no hydrogen 2.988 N/A LYS 250.A N GLU 172.A O no hydrogen 2.817 N/A LYS 250.A NZ THR 309.A OG1 no hydrogen 2.784 N/A LEU 251.A N THR 309.A O no hydrogen 2.724 N/A ALA 252.A N GLY 169.A O no hydrogen 2.795 N/A LYS 253.A N PHE 168.A O no hydrogen 3.020 N/A ALA 255.A N ASP 308.A O no hydrogen 2.890 N/A LYS 256.A N ASP 259.A OD2 no hydrogen 3.222 N/A TYR 257.A OH ILE 300.A O no hydrogen 2.788 N/A ASP 259.A N LYS 256.A O no hydrogen 2.947 N/A ILE 260.A N TYR 257.A O no hydrogen 2.955 N/A VAL 261.A N TYR 257.A O no hydrogen 3.061 N/A ALA 262.A N GLU 258.A O no hydrogen 2.894 N/A ALA 263.A N ASP 259.A O no hydrogen 3.051 N/A VAL 264.A N ILE 260.A O no hydrogen 2.991 N/A LYS 265.A N VAL 261.A O no hydrogen 2.915 N/A GLU 266.A N ALA 262.A O no hydrogen 3.020 N/A ALA 267.A N ALA 263.A O no hydrogen 3.191 N/A ALA 268.A N VAL 264.A O no hydrogen 2.952 N/A THR 269.A N GLU 266.A O no hydrogen 3.216 N/A THR 269.A OG1 LYS 265.A O no hydrogen 2.656 N/A SER 270.A N GLU 266.A O no hydrogen 3.377 N/A LYS 274.A N GLY 271.A O no hydrogen 3.080 N/A ILE 276.A N MET 273.A O no hydrogen 2.910 N/A ILE 277.A N MET 273.A O no hydrogen 3.007 N/A SER 278.A N SER 296.A O no hydrogen 2.820 N/A TYR 279.A N SER 278.A OG no hydrogen 2.716 N/A THR 280.A N PHE 298.A O no hydrogen 2.970 N/A GLU 282.A N THR 280.A OG1 no hydrogen 3.065 N/A VAL 284.A N GLU 282.A O no hydrogen 2.885 N/A VAL 285.A N ASP 288.A OD2 no hydrogen 2.921 N/A ASP 288.A N VAL 285.A O no hydrogen 2.946 N/A PHE 289.A N SER 286.A O no hydrogen 2.997 N/A VAL 290.A N SER 287.A O no hydrogen 3.206 N/A HIS 291.A N ASP 318.A OD2 no hydrogen 2.701 N/A HIS 291.A ND1 HIS 52.A ND1 no hydrogen 2.976 N/A CYS 292.A N PHE 289.A O no hydrogen 2.991 N/A SER 295.A N ILE 276.A O no hydrogen 2.943 N/A SER 296.A OG CYS 156.A O no hydrogen 2.685 N/A SER 296.A OG SER 315.A OG no hydrogen 2.681 N/A VAL 297.A N TRP 316.A O no hydrogen 2.894 N/A PHE 298.A N SER 278.A O no hydrogen 2.755 N/A ASP 299.A N VAL 314.A O no hydrogen 2.796 N/A ILE 300.A N THR 280.A O no hydrogen 2.945 N/A ASN 301.A ND2 GLU 283.A OE2 no hydrogen 2.997 N/A ALA 302.A N ASP 299.A OD1 no hydrogen 3.086 N/A ILE 304.A N LYS 312.A O no hydrogen 3.063 N/A LEU 306.A N PHE 310.A O no hydrogen 3.083 N/A THR 309.A N ASN 307.A OD1 no hydrogen 3.069 N/A THR 309.A OG1 ASN 307.A OD1 no hydrogen 3.528 N/A PHE 310.A N ASN 307.A O no hydrogen 3.386 N/A VAL 311.A N CYS 249.A O no hydrogen 3.041 N/A LYS 312.A N ILE 304.A O no hydrogen 2.796 N/A LYS 312.A NZ ASP 246.A OD1 no hydrogen 2.730 N/A LYS 312.A NZ ASP 246.A OD2 no hydrogen 3.255 N/A LYS 312.A NZ THR 248.A OG1 no hydrogen 3.111 N/A LEU 313.A N LEU 247.A O no hydrogen 2.851 N/A SER 315.A N VAL 245.A O no hydrogen 2.888 N/A SER 315.A OG SER 296.A OG no hydrogen 2.681 N/A TRP 316.A N VAL 297.A O no hydrogen 2.920 N/A TRP 316.A NE1 ASP 299.A OD2 no hydrogen 2.905 N/A TYR 317.A N SER 243.A O no hydrogen 2.902 N/A TYR 317.A OH THR 153.A OG1 no hydrogen 2.566 N/A TYR 317.A OH THR 177.A OG1 no hydrogen 2.677 N/A GLU 320.A N ASP 318.A OD1 no hydrogen 3.175 N/A TRP 321.A N ASP 318.A OD1 no hydrogen 3.151 N/A GLY 322.A N ASP 318.A O no hydrogen 2.896 N/A TYR 323.A OH ALA 150.A O no hydrogen 2.715 N/A SER 324.A N GLU 320.A O no hydrogen 3.150 N/A SER 324.A OG GLU 320.A O no hydrogen 2.616 N/A ASN 325.A N TRP 321.A O no hydrogen 3.055 N/A ASN 325.A ND2 TRP 321.A O no hydrogen 2.747 N/A ARG 326.A N GLY 322.A O no hydrogen 3.018 N/A ARG 326.A NE GLU 329.A OE1 no hydrogen 2.790 N/A ARG 326.A NH1 LYS 293.A O no hydrogen 3.323 N/A ARG 326.A NH1 GLU 329.A OE1 no hydrogen 3.359 N/A ARG 326.A NH1 GLU 329.A OE2 no hydrogen 2.776 N/A ARG 326.A NH2 LYS 293.A O no hydrogen 2.815 N/A ARG 326.A NH2 SER 295.A OG no hydrogen 2.940 N/A LEU 327.A N TYR 323.A O no hydrogen 2.924 N/A VAL 328.A N SER 324.A O no hydrogen 3.220 N/A GLU 329.A N ASN 325.A O no hydrogen 2.900 N/A LEU 330.A N ARG 326.A O no hydrogen 2.717 N/A ALA 331.A N LEU 327.A O no hydrogen 2.821 N/A HIS 332.A N VAL 328.A O no hydrogen 2.972 N/A TYR 333.A N GLU 329.A O no hydrogen 2.978 N/A MET 334.A N LEU 330.A O no hydrogen 2.904 N/A SER 335.A N ALA 331.A O no hydrogen 2.960 N/A SER 335.A OG HIS 332.A O no hydrogen 2.567 N/A VAL 336.A N HIS 332.A O no hydrogen 2.934 N/A GLN 337.A N TYR 333.A O no hydrogen 3.022 N/A ASP 338.A N MET 334.A O no hydrogen 2.838 N/A GLY 339.A N VAL 336.A O no hydrogen 2.947 N/A