Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8shr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N SER 3.A O no hydrogen 2.999 N/A HIS 7.A N SER 4.A O no hydrogen 3.405 N/A GLY 9.A N HIS 7.A ND1 no hydrogen 2.980 N/A HIS 11.A NE2 TYR 5.A O no hydrogen 2.756 N/A GLU 12.A N TYR 8.A O no hydrogen 2.833 N/A GLU 13.A N GLY 9.A O no hydrogen 3.144 N/A MET 14.A N ILE 10.A O no hydrogen 3.032 N/A LEU 15.A N HIS 11.A O no hydrogen 2.903 N/A LYS 16.A N GLU 12.A O no hydrogen 2.953 N/A LYS 16.A NZ GLU 12.A OE1 no hydrogen 2.715 N/A ASP 17.A N MET 14.A O no hydrogen 3.128 N/A ARG 20.A N ASP 17.A OD1 no hydrogen 3.196 N/A ARG 20.A NE GLU 110.A OE2 no hydrogen 2.725 N/A ARG 20.A NH1 MET 14.A O no hydrogen 3.475 N/A ARG 20.A NH1 THR 21.A OG1 no hydrogen 3.110 N/A ARG 20.A NH2 GLU 110.A OE2 no hydrogen 2.931 N/A THR 21.A N ASP 17.A O no hydrogen 2.879 N/A THR 21.A OG1 MET 14.A O no hydrogen 3.034 N/A THR 21.A OG1 LEU 15.A O no hydrogen 3.538 N/A THR 21.A OG1 ASP 17.A O no hydrogen 3.214 N/A GLU 22.A N LYS 18.A O no hydrogen 2.797 N/A SER 23.A N ILE 19.A O no hydrogen 3.146 N/A SER 23.A OG ILE 19.A O no hydrogen 2.607 N/A TYR 24.A N ARG 20.A O no hydrogen 3.296 N/A TYR 24.A OH SER 109.A O no hydrogen 2.665 N/A ARG 25.A N THR 21.A O no hydrogen 3.046 N/A ARG 25.A NE ASP 26.A OD1 no hydrogen 2.784 N/A ARG 25.A NH2 ASP 26.A OD1 no hydrogen 2.969 N/A ASP 26.A N GLU 22.A O no hydrogen 2.808 N/A PHE 27.A N SER 23.A O no hydrogen 2.929 N/A ILE 28.A N TYR 24.A O no hydrogen 3.063 N/A TYR 29.A N ARG 25.A O no hydrogen 2.847 N/A GLN 30.A N ASP 26.A O no hydrogen 2.839 N/A ASN 31.A N ILE 28.A O no hydrogen 3.300 N/A ASN 31.A ND2 PHE 27.A O no hydrogen 2.824 N/A ASN 31.A ND2 ASN 246.A O no hydrogen 2.819 N/A HIS 33.A NE2 ASN 243.A O no hydrogen 2.706 N/A ILE 34.A N ASN 31.A O no hydrogen 2.982 N/A PHE 35.A N PRO 32.A O no hydrogen 2.963 N/A LYS 36.A N PRO 32.A O no hydrogen 2.905 N/A ASP 37.A N GLY 58.A O no hydrogen 2.859 N/A LYS 38.A N PHE 35.A O no hydrogen 2.932 N/A VAL 39.A N ASP 105.A OD2 no hydrogen 2.709 N/A VAL 40.A N LYS 61.A O no hydrogen 2.892 N/A LEU 41.A N VAL 106.A O no hydrogen 2.850 N/A ASP 42.A N LEU 63.A O no hydrogen 2.828 N/A VAL 43.A N ILE 108.A O no hydrogen 3.119 N/A GLY 44.A N VAL 65.A O no hydrogen 2.703 N/A CYS 45.A N VAL 65.A O no hydrogen 3.075 N/A CYS 45.A SG GLY 46.A O no hydrogen 3.934 N/A GLY 46.A N ASP 66.A OD2 no hydrogen 2.871 N/A GLY 48.A N CYS 45.A O no hydrogen 2.956 N/A SER 51.A OG ASP 42.A OD2 no hydrogen 2.757 N/A MET 52.A N GLY 48.A O no hydrogen 2.989 N/A PHE 53.A N ILE 49.A O no hydrogen 2.879 N/A ALA 54.A N LEU 50.A O no hydrogen 3.118 N/A ALA 55.A N SER 51.A O no hydrogen 3.018 N/A LYS 56.A N MET 52.A O no hydrogen 2.910 N/A ALA 57.A N PHE 53.A O no hydrogen 3.055 N/A GLY 58.A N ALA 55.A O no hydrogen 2.894 N/A ALA 59.A N ALA 54.A O no hydrogen 3.081 N/A LYS 60.A N LYS 38.A O no hydrogen 2.839 N/A LYS 61.A N LYS 38.A O no hydrogen 3.380 N/A LYS 61.A NZ ASP 85.A O no hydrogen 3.010 N/A VAL 62.A N THR 86.A O no hydrogen 2.938 N/A LEU 63.A N VAL 40.A O no hydrogen 2.831 N/A GLY 64.A N THR 88.A O no hydrogen 2.919 N/A VAL 65.A N ASP 42.A O no hydrogen 3.052 N/A ASP 66.A N ILE 90.A O no hydrogen 3.273 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.898 N/A SER 68.A OG PHE 2.A O no hydrogen 3.567 N/A ILE 70.A N SER 68.A OG no hydrogen 3.202 N/A LEU 71.A N SER 68.A O no hydrogen 3.341 N/A TYR 72.A N GLU 69.A O no hydrogen 2.981 N/A ALA 74.A N ILE 70.A O no hydrogen 2.929 N/A MET 75.A N LEU 71.A O no hydrogen 2.879 N/A ASP 76.A N TYR 72.A O no hydrogen 3.374 N/A ILE 77.A N GLN 73.A O no hydrogen 2.949 N/A ILE 78.A N ALA 74.A O no hydrogen 2.811 N/A ARG 79.A N MET 75.A O no hydrogen 3.243 N/A LEU 80.A N ASP 76.A O no hydrogen 2.827 N/A ASN 81.A N ILE 77.A O no hydrogen 3.073 N/A ASN 81.A ND2 ILE 77.A O no hydrogen 2.896 N/A LYS 82.A N ARG 79.A O no hydrogen 2.929 N/A LEU 83.A N ILE 78.A O no hydrogen 2.982 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.743 N/A THR 86.A N LEU 83.A O no hydrogen 3.008 N/A ILE 87.A N LEU 83.A O no hydrogen 2.838 N/A THR 88.A N VAL 62.A O no hydrogen 2.886 N/A ILE 90.A N GLY 64.A O no hydrogen 2.870 N/A LYS 91.A NZ GLN 67.A O no hydrogen 3.058 N/A GLY 92.A N ASP 66.A O no hydrogen 3.032 N/A GLU 95.A N GLU 95.A OE2 no hydrogen 2.992 N/A GLU 96.A N LYS 93.A O no hydrogen 2.868 N/A VAL 97.A N LYS 93.A O no hydrogen 2.942 N/A LYS 103.A NZ LYS 131.A O no hydrogen 3.117 N/A VAL 104.A N TYR 132.A O no hydrogen 2.819 N/A ASP 105.A N VAL 39.A O no hydrogen 2.778 N/A VAL 106.A N VAL 39.A O no hydrogen 3.274 N/A ILE 107.A N SER 138.A O no hydrogen 3.009 N/A ILE 108.A N LEU 41.A O no hydrogen 2.954 N/A SER 109.A N TYR 140.A O no hydrogen 3.335 N/A MET 112.A N GLU 110.A OE1 no hydrogen 3.033 N/A GLY 113.A N LEU 116.A O no hydrogen 2.877 N/A LEU 117.A N PHE 115.A O no hydrogen 2.740 N/A PHE 118.A N TYR 114.A O no hydrogen 3.053 N/A GLU 119.A N ARG 294.A O no hydrogen 2.737 N/A SER 120.A N LEU 117.A O no hydrogen 3.338 N/A SER 120.A OG LEU 117.A O no hydrogen 3.523 N/A MET 121.A N TRP 111.A O no hydrogen 3.383 N/A LEU 122.A N SER 120.A OG no hydrogen 3.250 N/A SER 124.A OG GLU 95.A OE1 no hydrogen 2.544 N/A VAL 125.A N MET 121.A O no hydrogen 2.990 N/A LEU 126.A N LEU 122.A O no hydrogen 2.768 N/A TYR 127.A N ASP 123.A O no hydrogen 3.010 N/A ALA 128.A N SER 124.A O no hydrogen 3.104 N/A LYS 129.A N VAL 125.A O no hydrogen 2.950 N/A ASN 130.A N LEU 126.A O no hydrogen 2.953 N/A LYS 131.A N TYR 127.A O no hydrogen 2.938 N/A LYS 131.A NZ TYR 132.A OH no hydrogen 3.535 N/A TYR 132.A N ALA 128.A O no hydrogen 2.769 N/A LEU 133.A N LYS 129.A O no hydrogen 3.047 N/A ALA 134.A N VAL 104.A O no hydrogen 2.922 N/A GLY 137.A N ALA 134.A O no hydrogen 3.084 N/A SER 138.A N ASP 105.A O no hydrogen 3.101 N/A VAL 139.A N HIS 206.A NE2 no hydrogen 2.968 N/A TYR 140.A N ILE 107.A O no hydrogen 2.922 N/A TYR 140.A OH LYS 242.A O no hydrogen 2.595 N/A ASP 142.A N TYR 239.A O no hydrogen 3.200 N/A ILE 143.A N TYR 239.A O no hydrogen 3.313 N/A CYS 144.A N ILE 203.A O no hydrogen 3.006 N/A THR 145.A N ASP 237.A O no hydrogen 2.947 N/A ILE 146.A N LYS 201.A O no hydrogen 2.945 N/A SER 147.A N TYR 235.A O no hydrogen 2.892 N/A LEU 148.A N CYS 198.A O no hydrogen 2.813 N/A VAL 149.A N ALA 233.A O no hydrogen 2.860 N/A ALA 150.A N SER 195.A OG no hydrogen 3.028 N/A VAL 151.A N ALA 231.A O no hydrogen 2.933 N/A SER 152.A N THR 192.A O no hydrogen 2.837 N/A SER 152.A OG MET 228.A O no hydrogen 2.549 N/A ASP 153.A N THR 230.A OG1 no hydrogen 2.911 N/A LYS 156.A N ASP 153.A OD1 no hydrogen 3.182 N/A HIS 157.A N ASP 153.A O no hydrogen 3.020 N/A HIS 157.A NE2 LEU 268.A O no hydrogen 2.706 N/A ALA 158.A N VAL 154.A O no hydrogen 2.855 N/A ASP 159.A N ASN 155.A O no hydrogen 2.865 N/A ARG 160.A N.A LYS 156.A O no hydrogen 3.211 N/A ARG 160.A N.A HIS 157.A O no hydrogen 3.225 N/A ARG 160.A N.B LYS 156.A O no hydrogen 3.221 N/A ARG 160.A N.B HIS 157.A O no hydrogen 3.214 N/A ARG 160.A NH2.A GLU 182.A O no hydrogen 2.966 N/A ARG 160.A NH2.B GLU 186.A OE2 no hydrogen 2.633 N/A ILE 161.A N HIS 157.A O no hydrogen 2.913 N/A PHE 163.A N ALA 158.A O no hydrogen 2.862 N/A TRP 164.A N ILE 161.A O no hydrogen 3.180 N/A ASP 165.A N ALA 162.A O no hydrogen 3.085 N/A VAL 167.A N PHE 170.A O no hydrogen 2.732 N/A PHE 170.A N VAL 167.A O no hydrogen 3.004 N/A MET 172.A N TRP 164.A O no hydrogen 2.699 N/A SER 173.A OG ASP 165.A OD1 no hydrogen 3.162 N/A MET 175.A N MET 172.A O no hydrogen 2.929 N/A LYS 176.A N SER 173.A O no hydrogen 2.999 N/A LYS 176.A NZ ASP 165.A OD1 no hydrogen 2.815 N/A LYS 176.A NZ ASP 165.A OD2 no hydrogen 3.311 N/A ALA 178.A N MET 175.A O no hydrogen 3.015 N/A VAL 179.A N LYS 176.A O no hydrogen 3.148 N/A ILE 180.A N LYS 176.A O no hydrogen 3.005 N/A GLU 182.A N VAL 179.A O no hydrogen 3.210 N/A ALA 183.A N GLY 310.A O no hydrogen 2.815 N/A VAL 184.A N VAL 265.A O no hydrogen 2.931 N/A GLU 186.A N GLN 263.A O no hydrogen 2.964 N/A LEU 188.A N GLN 263.A OE1 no hydrogen 2.824 N/A LYS 191.A N ASP 189.A OD1 no hydrogen 3.102 N/A THR 192.A N ASP 189.A O no hydrogen 2.951 N/A THR 192.A OG1 ASP 189.A O no hydrogen 2.700 N/A LEU 193.A N PRO 190.A O no hydrogen 3.238 N/A ILE 194.A N ALA 150.A O no hydrogen 2.952 N/A SER 195.A OG GLU 196.A O no hydrogen 2.732 N/A GLU 196.A N LYS 222.A O no hydrogen 2.901 N/A CYS 198.A N LEU 148.A O no hydrogen 2.762 N/A CYS 198.A SG GLY 199.A O no hydrogen 3.664 N/A CYS 198.A SG THR 220.A O no hydrogen 3.555 N/A ILE 200.A N ILE 146.A O no hydrogen 2.759 N/A LYS 201.A NZ ASP 212.A O no hydrogen 2.792 N/A ILE 203.A N CYS 144.A O no hydrogen 2.855 N/A CYS 205.A N ASP 142.A O no hydrogen 2.858 N/A CYS 205.A SG PRO 141.A O no hydrogen 3.666 N/A CYS 205.A SG ASP 142.A O no hydrogen 4.042 N/A HIS 206.A N ASP 204.A OD1 no hydrogen 2.928 N/A HIS 206.A ND1 ASP 204.A OD1 no hydrogen 3.036 N/A THR 207.A N ASP 204.A O no hydrogen 2.985 N/A THR 207.A OG1 ASP 204.A O no hydrogen 3.522 N/A THR 208.A N ASP 204.A O no hydrogen 2.893 N/A THR 208.A OG1 ASP 212.A OD2 no hydrogen 3.346 N/A SER 209.A N ASP 212.A OD2 no hydrogen 2.933 N/A SER 209.A OG SER 211.A OG no hydrogen 3.222 N/A SER 209.A OG ASP 212.A OD2 no hydrogen 3.182 N/A SER 211.A OG SER 209.A OG no hydrogen 3.222 N/A ASP 212.A N SER 209.A O no hydrogen 3.097 N/A LEU 213.A N ILE 210.A O no hydrogen 3.121 N/A PHE 215.A N VAL 286.A O no hydrogen 3.212 N/A SER 216.A OG THR 285.A OG1 no hydrogen 2.600 N/A SER 217.A N VAL 284.A O no hydrogen 2.816 N/A SER 217.A OG ILE 200.A O no hydrogen 3.516 N/A SER 217.A OG ASP 218.A O no hydrogen 2.816 N/A PHE 219.A N GLY 282.A O no hydrogen 2.887 N/A LEU 221.A N LEU 280.A O no hydrogen 2.728 N/A ILE 223.A N GLU 278.A O no hydrogen 2.868 N/A THR 224.A N ILE 194.A O no hydrogen 2.844 N/A ARG 225.A NH1 LYS 191.A O no hydrogen 2.971 N/A ARG 225.A NH2 LYS 191.A O no hydrogen 2.831 N/A SER 227.A N VAL 274.A O no hydrogen 3.064 N/A SER 227.A OG ARG 225.A O no hydrogen 2.919 N/A CYS 229.A N PHE 272.A O no hydrogen 2.848 N/A CYS 229.A SG VAL 151.A O no hydrogen 3.782 N/A CYS 229.A SG ALA 231.A O no hydrogen 3.671 N/A THR 230.A N VAL 151.A O no hydrogen 2.903 N/A THR 230.A OG1 VAL 151.A O no hydrogen 3.483 N/A ALA 231.A N VAL 151.A O no hydrogen 3.356 N/A ILE 232.A N PHE 266.A O no hydrogen 2.981 N/A ALA 233.A N VAL 149.A O no hydrogen 2.808 N/A GLY 234.A N THR 264.A O no hydrogen 2.698 N/A TYR 235.A N SER 147.A O no hydrogen 3.032 N/A PHE 236.A N THR 252.A OG1 no hydrogen 3.054 N/A ASP 237.A N THR 145.A O no hydrogen 2.985 N/A ILE 238.A N PHE 250.A O no hydrogen 2.892 N/A TYR 239.A N ILE 143.A O no hydrogen 2.765 N/A PHE 240.A N VAL 248.A O no hydrogen 2.803 N/A GLU 241.A N ASP 142.A OD1 no hydrogen 2.858 N/A LYS 242.A N ASP 142.A OD2 no hydrogen 2.798 N/A LYS 242.A NZ SER 138.A OG no hydrogen 2.953 N/A CYS 244.A N GLU 241.A O no hydrogen 3.035 N/A CYS 244.A SG LYS 242.A O no hydrogen 3.671 N/A ASN 246.A N ASN 31.A OD1 no hydrogen 2.951 N/A ASN 246.A ND2 GLN 30.A O no hydrogen 2.876 N/A VAL 248.A N PHE 240.A O no hydrogen 3.181 N/A PHE 250.A N ILE 238.A O no hydrogen 2.963 N/A SER 251.A OG ASP 237.A OD1 no hydrogen 2.643 N/A THR 252.A N PHE 236.A O no hydrogen 2.909 N/A THR 252.A OG1 PHE 236.A O no hydrogen 2.772 N/A GLY 253.A N SER 251.A OG no hydrogen 3.163 N/A SER 256.A N GLY 253.A O no hydrogen 3.066 N/A HIS 260.A N ASP 17.A OD2 no hydrogen 3.002 N/A HIS 260.A ND1 ASP 17.A OD2 no hydrogen 2.709 N/A TRP 261.A N THR 259.A OG1 no hydrogen 3.130 N/A TRP 261.A NE1 MET 112.A O no hydrogen 2.984 N/A LYS 262.A N THR 259.A O no hydrogen 2.960 N/A GLN 263.A N GLU 186.A O no hydrogen 3.051 N/A GLN 263.A NE2 THR 252.A O no hydrogen 2.870 N/A THR 264.A N GLY 234.A O no hydrogen 3.008 N/A VAL 265.A N VAL 184.A O no hydrogen 2.750 N/A PHE 266.A N ILE 232.A O no hydrogen 2.839 N/A LEU 268.A N THR 230.A O no hydrogen 2.941 N/A PHE 272.A N CYS 229.A O no hydrogen 3.128 N/A VAL 274.A N SER 227.A O no hydrogen 2.898 N/A LYS 275.A N GLU 278.A OE1 no hydrogen 2.974 N/A ALA 276.A N THR 226.A OG1 no hydrogen 3.068 N/A GLY 277.A N ILE 223.A O no hydrogen 2.740 N/A GLU 278.A N LYS 275.A O no hydrogen 2.891 N/A LEU 280.A N LEU 221.A O no hydrogen 2.842 N/A GLY 282.A N PHE 219.A O no hydrogen 2.912 N/A LYS 283.A N THR 301.A O no hydrogen 2.974 N/A VAL 284.A N SER 217.A O no hydrogen 2.953 N/A THR 285.A N THR 299.A O no hydrogen 2.921 N/A THR 285.A OG1 SER 216.A OG no hydrogen 2.600 N/A VAL 286.A N PHE 215.A O no hydrogen 2.856 N/A HIS 287.A N THR 297.A O no hydrogen 2.974 N/A LYS 288.A N GLU 214.A OE2 no hydrogen 2.637 N/A ASN 289.A N SER 295.A O no hydrogen 2.710 N/A ASP 292.A N ASN 289.A OD1 no hydrogen 2.949 N/A SER 295.A N ASP 292.A O no hydrogen 2.669 N/A THR 297.A N HIS 287.A O no hydrogen 2.925 N/A VAL 298.A N TYR 309.A O no hydrogen 2.822 N/A THR 299.A N THR 285.A O no hydrogen 2.815 N/A THR 299.A OG1 THR 308.A OG1 no hydrogen 2.868 N/A LEU 300.A N GLN 307.A O no hydrogen 2.902 N/A THR 301.A N LYS 283.A O no hydrogen 2.840 N/A THR 301.A OG1 THR 306.A OG1 no hydrogen 2.608 N/A LEU 302.A N SER 305.A O no hydrogen 2.961 N/A SER 305.A N LEU 302.A O no hydrogen 3.138 N/A SER 305.A OG LEU 302.A O no hydrogen 3.471 N/A THR 306.A OG1 THR 301.A OG1 no hydrogen 2.608 N/A GLN 307.A N LEU 300.A O no hydrogen 2.923 N/A THR 308.A OG1 THR 299.A OG1 no hydrogen 2.868 N/A TYR 309.A N VAL 298.A O no hydrogen 2.772 N/A TYR 309.A OH LEU 267.A O no hydrogen 2.643 N/A GLY 310.A N PRO 181.A O no hydrogen 2.895 N/A