Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 28.A OD2 no hydrogen 2.653 N/A THR 3.A N ALA 26.A O no hydrogen 3.420 N/A SER 5.A N THR 24.A O no hydrogen 2.992 N/A SER 5.A OG THR 24.A OG1 no hydrogen 2.847 N/A GLN 7.A N THR 22.A O no hydrogen 2.841 N/A GLN 7.A NE2 SER 5.A OG no hydrogen 2.885 N/A SER 8.A OG LYS 10.A O no hydrogen 2.875 N/A ASN 9.A N THR 20.A O no hydrogen 3.331 N/A LYS 10.A N SER 8.A OG no hydrogen 3.240 N/A LYS 10.A NZ GLY 18.A O no hydrogen 2.670 N/A LYS 10.A NZ GLU 166.A OE1 no hydrogen 3.060 N/A ARG 11.A N PRO 123.A O no hydrogen 2.511 N/A ARG 11.A NE THR 122.A O no hydrogen 2.862 N/A ARG 11.A NH1 ASP 125.A OD2 no hydrogen 2.882 N/A ARG 11.A NH2 THR 122.A OG1 no hydrogen 2.508 N/A ARG 11.A NH2 ASP 125.A OD2 no hydrogen 2.789 N/A CYS 12.A SG LYS 121.A O no hydrogen 3.508 N/A PHE 13.A N GLU 87.A O no hydrogen 3.036 N/A LEU 14.A N ASP 17.A OD2 no hydrogen 2.526 N/A GLY 16.A N ALA 58.A O no hydrogen 2.893 N/A ASP 17.A N LEU 14.A O no hydrogen 2.923 N/A GLY 18.A N GLU 166.A OE2 no hydrogen 3.134 N/A PHE 19.A N VAL 55.A O no hydrogen 2.980 N/A THR 20.A N ASN 9.A OD1 no hydrogen 2.857 N/A LEU 21.A N LEU 53.A O no hydrogen 2.606 N/A THR 22.A N GLN 7.A O no hydrogen 2.808 N/A ALA 23.A N ALA 51.A O no hydrogen 2.781 N/A THR 24.A N SER 5.A O no hydrogen 2.721 N/A THR 24.A OG1 SER 5.A O no hydrogen 2.862 N/A ALA 26.A N THR 3.A O no hydrogen 2.936 N/A THR 36.A N GLN 71.A O no hydrogen 3.029 N/A THR 38.A N THR 69.A O no hydrogen 2.935 N/A TRP 39.A NE1 THR 50.A O no hydrogen 2.957 N/A THR 40.A N LYS 67.A O no hydrogen 2.827 N/A THR 40.A OG1 LYS 67.A O no hydrogen 3.519 N/A LYS 41.A N GLN 44.A O no hydrogen 2.909 N/A LYS 41.A NZ ASP 42.A OD2 no hydrogen 3.030 N/A LYS 41.A NZ ALA 63.A O no hydrogen 3.133 N/A ASP 42.A N SER 65.A O no hydrogen 2.679 N/A GLN 44.A N LYS 41.A O no hydrogen 2.896 N/A HIS 46.A N TRP 39.A O no hydrogen 3.042 N/A ASN 48.A N HIS 46.A ND1 no hydrogen 3.026 N/A ASN 48.A ND2 THR 50.A O no hydrogen 3.467 N/A ASN 48.A ND2 THR 52.A O no hydrogen 3.197 N/A THR 50.A OG1 THR 52.A O no hydrogen 2.933 N/A LEU 53.A N LEU 21.A O no hydrogen 2.680 N/A VAL 55.A N PHE 19.A O no hydrogen 2.669 N/A ALA 58.A N ASP 17.A O no hydrogen 2.794 N/A THR 59.A N ASN 62.A OD1 no hydrogen 2.865 N/A SER 60.A OG GLU 88.A OE1 no hydrogen 3.014 N/A GLU 61.A N THR 59.A OG1 no hydrogen 3.252 N/A ASN 62.A N THR 59.A O no hydrogen 2.948 N/A ALA 63.A N SER 60.A O no hydrogen 3.029 N/A GLY 64.A N MET 86.A O no hydrogen 2.998 N/A SER 65.A N ASP 42.A OD1 no hydrogen 2.704 N/A TYR 66.A N PHE 84.A O no hydrogen 2.898 N/A TYR 66.A OH ASN 62.A O no hydrogen 2.558 N/A LYS 67.A N THR 40.A O no hydrogen 2.996 N/A LYS 67.A NZ GLU 80.A OE1 no hydrogen 2.671 N/A VAL 68.A N SER 81.A OG no hydrogen 3.335 N/A THR 69.A N THR 38.A O no hydrogen 2.813 N/A VAL 70.A N VAL 79.A O no hydrogen 2.939 N/A GLN 71.A N THR 36.A O no hydrogen 2.930 N/A GLN 71.A NE2 MET 76.A O no hydrogen 2.904 N/A ASP 72.A N THR 77.A O no hydrogen 2.772 N/A THR 73.A N ASN 34.A O no hydrogen 3.111 N/A THR 73.A OG1 ASN 34.A O no hydrogen 3.073 N/A ASP 74.A N ASP 72.A OD1 no hydrogen 2.918 N/A THR 75.A OG1 ASP 72.A O no hydrogen 3.498 N/A THR 75.A OG1 ASP 72.A OD2 no hydrogen 3.365 N/A MET 76.A N ASP 72.A O no hydrogen 2.453 N/A THR 77.A N THR 75.A OG1 no hydrogen 2.691 N/A SER 78.A OG MET 76.A O no hydrogen 3.569 N/A VAL 79.A N VAL 70.A O no hydrogen 2.817 N/A SER 81.A N VAL 68.A O no hydrogen 2.989 N/A SER 81.A OG VAL 68.A O no hydrogen 3.531 N/A SER 81.A OG GLU 82.A O no hydrogen 2.871 N/A PHE 84.A N TYR 66.A O no hydrogen 2.750 N/A MET 86.A N GLY 64.A O no hydrogen 2.896 N/A ALA 89.A N PHE 13.A O no hydrogen 2.723 N/A GLU 90.A N SER 118.A OG no hydrogen 2.767 N/A ILE 92.A N LYS 116.A O no hydrogen 2.875 N/A ASN 94.A N THR 114.A O no hydrogen 2.664 N/A THR 96.A N HIS 112.A O no hydrogen 2.994 N/A PHE 101.A N LYS 177.A O no hydrogen 2.804 N/A TYR 102.A N GLN 280.A OE1 no hydrogen 2.699 N/A VAL 103.A N MET 179.A O no hydrogen 2.943 N/A SER 104.A OG VAL 289.A O no hydrogen 3.036 N/A THR 107.A OG1 SER 104.A O no hydrogen 3.387 N/A VAL 109.A N ILE 148.A O no hydrogen 2.734 N/A LEU 111.A N ILE 146.A O no hydrogen 2.966 N/A HIS 112.A N GLU 97.A OE1 no hydrogen 2.922 N/A THR 114.A N ASN 94.A O no hydrogen 2.641 N/A THR 114.A OG1 ASN 94.A O no hydrogen 3.174 N/A LYS 116.A N ILE 92.A O no hydrogen 2.884 N/A SER 118.A N GLU 90.A O no hydrogen 2.894 N/A SER 118.A OG GLU 90.A O no hydrogen 3.384 N/A SER 118.A OG GLU 90.A OE1 no hydrogen 3.069 N/A GLY 120.A N PHE 117.A O no hydrogen 2.850 N/A TYR 127.A N ALA 124.A O no hydrogen 3.265 N/A TYR 127.A OH ASP 17.A OD1 no hydrogen 2.570 N/A TYR 127.A OH ASP 17.A OD2 no hydrogen 3.278 N/A HIS 130.A N TRP 164.A O no hydrogen 2.819 N/A SER 132.A N LYS 162.A O no hydrogen 2.851 N/A TRP 133.A N ASP 141.A O no hydrogen 2.789 N/A TRP 133.A NE1 GLN 144.A O no hydrogen 3.056 N/A SER 134.A N THR 160.A O no hydrogen 2.846 N/A LYS 135.A N ASP 138.A O no hydrogen 2.970 N/A ASP 138.A N LYS 135.A O no hydrogen 3.151 N/A ILE 140.A N TRP 133.A O no hydrogen 2.751 N/A THR 142.A N ASP 141.A OD1 no hydrogen 2.856 N/A THR 143.A OG1 ASP 145.A O no hydrogen 2.879 N/A GLN 144.A NE2 ALA 113.A O no hydrogen 3.003 N/A ILE 146.A N LEU 111.A O no hydrogen 3.114 N/A ILE 148.A N VAL 109.A O no hydrogen 2.668 N/A GLU 150.A N ASP 108.A OD1 no hydrogen 2.723 N/A PHE 151.A N THR 107.A O no hydrogen 2.854 N/A THR 152.A OG1 ASP 154.A OD1 no hydrogen 2.412 N/A ASP 154.A N ASP 154.A OD1 no hydrogen 2.635 N/A LYS 155.A N THR 152.A O no hydrogen 2.767 N/A LYS 155.A NZ GLN 149.A O no hydrogen 2.682 N/A ASN 156.A N ALA 153.A O no hydrogen 3.201 N/A ASN 156.A ND2 VAL 212.A O no hydrogen 3.036 N/A GLY 157.A N ILE 178.A O no hydrogen 3.190 N/A TYR 159.A N THR 176.A O no hydrogen 2.938 N/A TYR 159.A OH LYS 155.A O no hydrogen 2.798 N/A THR 160.A N SER 134.A O no hydrogen 2.968 N/A THR 160.A OG1 SER 175.A OG no hydrogen 2.663 N/A VAL 161.A N ALA 174.A O no hydrogen 3.100 N/A LYS 162.A N SER 132.A O no hydrogen 2.831 N/A VAL 163.A N ALA 172.A O no hydrogen 2.907 N/A TRP 164.A N HIS 130.A O no hydrogen 3.106 N/A GLY 165.A N SER 170.A OG no hydrogen 2.958 N/A GLU 166.A N TYR 127.A OH no hydrogen 3.019 N/A ASP 169.A N SER 167.A OG no hydrogen 2.954 N/A SER 170.A N SER 167.A O no hydrogen 2.915 N/A SER 170.A OG SER 167.A O no hydrogen 2.792 N/A ALA 171.A N GLU 168.A O no hydrogen 3.213 N/A ALA 172.A N VAL 163.A O no hydrogen 2.837 N/A ALA 174.A N VAL 161.A O no hydrogen 3.197 N/A SER 175.A OG THR 160.A OG1 no hydrogen 2.663 N/A THR 176.A N TYR 159.A O no hydrogen 3.055 N/A THR 176.A OG1 PRO 98.A O no hydrogen 2.665 N/A THR 176.A OG1 GLN 99.A O no hydrogen 3.052 N/A LYS 177.A N GLN 99.A O no hydrogen 2.631 N/A LYS 177.A NZ ASP 214.A O no hydrogen 2.557 N/A LYS 177.A NZ SER 216.A O no hydrogen 2.959 N/A ILE 178.A N GLY 157.A O no hydrogen 3.061 N/A MET 179.A N PHE 101.A O no hydrogen 3.123 N/A LEU 180.A N ASN 156.A OD1 no hydrogen 2.656 N/A ALA 181.A N VAL 103.A O no hydrogen 3.206 N/A THR 182.A N ASP 210.A O no hydrogen 3.501 N/A THR 182.A OG1 ASP 210.A O no hydrogen 3.285 N/A ASN 184.A N SER 208.A O no hydrogen 2.846 N/A ASP 186.A N VAL 206.A O no hydrogen 2.651 N/A GLN 187.A N VAL 206.A O no hydrogen 2.862 N/A VAL 189.A N ASP 188.A OD2 no hydrogen 2.769 N/A LYS 193.A N SER 298.A O no hydrogen 3.088 N/A VAL 195.A N GLU 300.A O no hydrogen 2.664 N/A LEU 197.A N VAL 302.A O no hydrogen 3.199 N/A GLY 198.A N ALA 264.A O no hydrogen 3.337 N/A ASN 199.A N ALA 196.A O no hydrogen 2.920 N/A ILE 201.A N LYS 261.A O no hydrogen 3.118 N/A LEU 203.A N LEU 259.A O no hydrogen 2.998 N/A VAL 206.A N GLN 187.A O no hydrogen 2.817 N/A SER 208.A N ASN 184.A O no hydrogen 2.917 N/A SER 208.A OG ASP 186.A OD2 no hydrogen 2.996 N/A ASP 210.A N THR 182.A O no hydrogen 2.689 N/A SER 216.A N ASP 214.A OD1 no hydrogen 2.859 N/A SER 216.A OG ASP 214.A OD1 no hydrogen 2.726 N/A SER 216.A OG ASP 214.A OD2 no hydrogen 2.998 N/A MET 218.A N SER 215.A O no hydrogen 3.049 N/A THR 222.A N TYR 279.A O no hydrogen 2.829 N/A LYS 224.A N LYS 277.A O no hydrogen 2.819 N/A ASN 226.A N VAL 275.A O no hydrogen 2.914 N/A ASN 226.A ND2 VAL 275.A O no hydrogen 3.472 N/A TRP 227.A N GLY 241.A O no hydrogen 3.237 N/A TYR 228.A N TRP 273.A O no hydrogen 2.925 N/A LEU 229.A N THR 238.A O no hydrogen 3.157 N/A GLN 230.A N LYS 271.A O no hydrogen 2.838 N/A GLN 230.A NE2 GLN 234.A O no hydrogen 2.926 N/A ARG 231.A N GLN 234.A OE1 no hydrogen 2.611 N/A ARG 231.A NE ASP 267.A O no hydrogen 2.805 N/A ARG 231.A NH1 GLN 234.A OE1 no hydrogen 3.373 N/A ARG 231.A NH2 GLU 249.A OE1 no hydrogen 2.765 N/A ARG 231.A NH2 ASP 267.A O no hydrogen 3.528 N/A GLN 234.A N ARG 231.A O no hydrogen 3.156 N/A GLN 234.A NE2 SER 236.A O no hydrogen 3.281 N/A GLN 234.A NE2 THR 238.A OG1 no hydrogen 2.876 N/A THR 238.A N LEU 229.A O no hydrogen 3.062 N/A ILE 240.A N TRP 227.A O no hydrogen 2.820 N/A SER 242.A OG ASN 226.A OD1 no hydrogen 3.343 N/A SER 242.A OG GLU 243.A OE1 no hydrogen 3.229 N/A GLY 245.A N ILE 253.A O no hydrogen 2.740 N/A ALA 247.A N PHE 251.A O no hydrogen 2.492 N/A LEU 248.A N ILE 240.A O no hydrogen 3.083 N/A PHE 251.A N LEU 248.A O no hydrogen 2.991 N/A SER 252.A N PHE 260.A O no hydrogen 2.650 N/A SER 252.A OG PHE 260.A O no hydrogen 3.070 N/A ILE 253.A N GLY 245.A O no hydrogen 2.654 N/A THR 254.A N HIS 258.A O no hydrogen 2.880 N/A ASP 256.A N THR 254.A OG1 no hydrogen 3.247 N/A GLY 257.A N THR 254.A O no hydrogen 3.313 N/A HIS 258.A N THR 254.A OG1 no hydrogen 3.332 N/A LEU 259.A N LEU 203.A O no hydrogen 2.949 N/A PHE 260.A N SER 252.A O no hydrogen 2.842 N/A LYS 261.A N ILE 201.A O no hydrogen 3.025 N/A LYS 261.A NZ GLU 249.A O no hydrogen 2.567 N/A LYS 261.A NZ ASP 268.A OD1 no hydrogen 2.971 N/A LYS 261.A NZ ASP 268.A OD2 no hydrogen 3.065 N/A ALA 264.A N ASN 199.A O no hydrogen 2.949 N/A THR 265.A N ASP 268.A OD2 no hydrogen 3.133 N/A ASP 267.A N THR 265.A OG1 no hydrogen 2.779 N/A ASP 268.A N THR 265.A O no hydrogen 3.010 N/A THR 269.A OG1 TYR 266.A O no hydrogen 2.762 N/A ALA 270.A N MET 299.A O no hydrogen 3.085 N/A LYS 271.A N GLN 230.A O no hydrogen 2.947 N/A PHE 272.A N CYS 297.A O no hydrogen 2.978 N/A TRP 273.A N TYR 228.A O no hydrogen 3.279 N/A CYS 274.A N SER 294.A OG no hydrogen 2.502 N/A CYS 274.A SG ASN 226.A O no hydrogen 3.627 N/A VAL 275.A N ASN 226.A O no hydrogen 2.720 N/A ALA 276.A N SER 292.A O no hydrogen 2.679 N/A LYS 277.A N LYS 224.A O no hydrogen 2.956 N/A LEU 278.A N ALA 290.A O no hydrogen 2.903 N/A TYR 279.A N THR 222.A O no hydrogen 2.679 N/A GLN 280.A N VAL 287.A O no hydrogen 3.017 N/A GLN 280.A NE2 TYR 102.A O no hydrogen 2.825 N/A GLN 281.A N ASN 220.A O no hydrogen 2.875 N/A GLN 281.A NE2 GLU 283.A O no hydrogen 2.558 N/A ILE 282.A N GLU 285.A O no hydrogen 3.077 N/A VAL 287.A N GLN 280.A O no hydrogen 3.039 N/A VAL 289.A N LEU 278.A O no hydrogen 2.767 N/A SER 292.A N ALA 276.A O no hydrogen 2.851 N/A SER 294.A N CYS 274.A O no hydrogen 2.595 N/A SER 294.A OG CYS 274.A O no hydrogen 3.219 N/A SER 294.A OG ARG 295.A O no hydrogen 3.298 N/A ARG 295.A N ASP 188.A OD2 no hydrogen 3.094 N/A ARG 295.A NH1 VAL 189.A O no hydrogen 2.604 N/A CYS 297.A N PHE 272.A O no hydrogen 2.763 N/A SER 298.A N GLU 191.A O no hydrogen 3.058 N/A MET 299.A N ALA 270.A O no hydrogen 2.711 N/A GLU 300.A N LYS 193.A O no hydrogen 2.847 N/A VAL 302.A N VAL 195.A O no hydrogen 3.147 N/A