Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sh8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N LYS 1.A O no hydrogen 3.254 N/A LYS 6.A N ASP 2.A O no hydrogen 2.702 N/A LYS 6.A NZ ASP 2.A OD1 no hydrogen 3.486 N/A LEU 7.A N ASP 3.A O no hydrogen 3.089 N/A GLU 8.A N PHE 4.A O no hydrogen 3.146 N/A GLU 9.A N ALA 5.A O no hydrogen 3.059 N/A GLN 10.A N LYS 6.A O no hydrogen 2.712 N/A PHE 11.A N LEU 7.A O no hydrogen 2.902 N/A ASP 12.A N GLU 9.A O no hydrogen 3.443 N/A ALA 13.A N GLU 8.A O no hydrogen 3.146 N/A LYS 14.A N SER 228.A O no hydrogen 2.787 N/A LYS 14.A NZ GLU 34.A OE2 no hydrogen 2.741 N/A LEU 15.A N GLU 8.A OE2 no hydrogen 2.862 N/A GLY 16.A N LEU 226.A O no hydrogen 2.745 N/A ILE 17.A N TYR 30.A O no hydrogen 2.733 N/A PHE 18.A N ALA 224.A O no hydrogen 3.176 N/A ALA 19.A N VAL 28.A O no hydrogen 2.950 N/A LEU 20.A N VAL 222.A O no hydrogen 2.860 N/A ASP 21.A N ARG 26.A O no hydrogen 3.088 N/A THR 22.A N PRO 220.A O no hydrogen 3.100 N/A THR 22.A OG1 PRO 220.A O no hydrogen 2.630 N/A GLY 23.A N ASP 21.A OD1 no hydrogen 2.814 N/A ASN 25.A N ASP 21.A O no hydrogen 2.869 N/A ARG 26.A N THR 24.A OG1 no hydrogen 3.422 N/A VAL 28.A N ALA 19.A O no hydrogen 2.996 N/A TYR 30.A N ILE 17.A O no hydrogen 2.998 N/A TYR 30.A OH GLU 8.A OE1 no hydrogen 2.573 N/A ARG 31.A NE GLU 8.A OE2 no hydrogen 2.873 N/A ARG 31.A NH2 GLU 8.A OE1 no hydrogen 2.992 N/A ARG 31.A NH2 GLU 8.A OE2 no hydrogen 3.387 N/A GLU 34.A N ARG 31.A O no hydrogen 3.189 N/A ARG 35.A NH1 VAL 127.A O no hydrogen 2.876 N/A ARG 35.A NH1 THR 144.A OG1 no hydrogen 2.831 N/A ARG 35.A NH2 VAL 127.A O no hydrogen 2.898 N/A PHE 36.A N SER 145.A O no hydrogen 2.959 N/A PHE 38.A N ASP 143.A O no hydrogen 3.243 N/A SER 40.A OG SER 98.A OG no hydrogen 3.193 N/A THR 41.A N PHE 38.A O no hydrogen 3.236 N/A THR 41.A OG1 PHE 38.A O no hydrogen 2.591 N/A ILE 42.A N ALA 39.A O no hydrogen 3.443 N/A LYS 43.A N SER 40.A O no hydrogen 3.001 N/A LYS 43.A NZ SER 40.A OG no hydrogen 2.539 N/A LYS 43.A NZ SER 98.A O no hydrogen 3.442 N/A LYS 43.A NZ SER 98.A OG no hydrogen 3.102 N/A LYS 43.A NZ ASN 100.A OD1 no hydrogen 2.661 N/A ALA 44.A N THR 41.A O no hydrogen 3.224 N/A THR 46.A N ILE 42.A O no hydrogen 2.867 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.856 N/A VAL 47.A N LYS 43.A O no hydrogen 3.095 N/A GLY 48.A N ALA 44.A O no hydrogen 3.132 N/A VAL 49.A N LEU 45.A O no hydrogen 3.077 N/A LEU 50.A N THR 46.A O no hydrogen 2.927 N/A LEU 51.A N VAL 47.A O no hydrogen 2.804 N/A GLN 52.A N GLY 48.A O no hydrogen 3.146 N/A GLN 53.A N VAL 49.A O no hydrogen 3.017 N/A GLN 53.A N LEU 50.A O no hydrogen 3.131 N/A SER 55.A N ASP 58.A OD2 no hydrogen 3.370 N/A ASP 58.A N SER 55.A OG no hydrogen 3.068 N/A LEU 59.A N ILE 56.A O no hydrogen 3.114 N/A ASN 60.A N GLU 57.A O no hydrogen 3.013 N/A ASN 60.A ND2 GLU 57.A OE2 no hydrogen 3.157 N/A GLN 61.A N ASP 58.A O no hydrogen 3.130 N/A ARG 62.A NH1 THR 83.A O no hydrogen 3.021 N/A ILE 63.A N MET 85.A O no hydrogen 2.709 N/A TYR 65.A OH THR 77.A O no hydrogen 2.750 N/A THR 66.A N ASP 69.A OD2 no hydrogen 2.914 N/A THR 66.A OG1 ASP 69.A OD2 no hydrogen 3.313 N/A ASP 69.A N THR 66.A O no hydrogen 2.915 N/A LEU 70.A N ARG 67.A O no hydrogen 3.207 N/A VAL 71.A N ASN 74.A OD1 no hydrogen 2.769 N/A ASN 74.A ND2 VAL 71.A O no hydrogen 2.871 N/A ILE 76.A N ASP 99.A OD2 no hydrogen 2.856 N/A THR 77.A N ASP 99.A OD2 no hydrogen 3.003 N/A THR 77.A OG1 ASP 99.A OD2 no hydrogen 2.498 N/A GLU 78.A N ASN 74.A O no hydrogen 3.064 N/A LYS 79.A N ILE 76.A O no hydrogen 3.049 N/A LYS 79.A NZ PRO 75.A O no hydrogen 2.853 N/A LYS 79.A NZ GLU 78.A OE2 no hydrogen 3.423 N/A HIS 80.A N THR 77.A O no hydrogen 3.222 N/A HIS 80.A ND1 ILE 76.A O no hydrogen 3.167 N/A THR 83.A N ASP 82.A OD1 no hydrogen 2.758 N/A THR 83.A OG1 GLY 84.A O no hydrogen 3.102 N/A GLY 84.A N HIS 80.A O no hydrogen 2.845 N/A MET 85.A N ILE 63.A O no hydrogen 2.962 N/A THR 86.A N GLU 89.A OE1 no hydrogen 2.856 N/A LEU 87.A N GLN 61.A O no hydrogen 3.071 N/A LYS 88.A N LEU 59.A O no hydrogen 2.850 N/A GLU 89.A N THR 86.A OG1 no hydrogen 3.177 N/A LEU 90.A N THR 86.A O no hydrogen 2.858 N/A ALA 91.A N LEU 87.A O no hydrogen 2.893 N/A ASP 92.A N LYS 88.A O no hydrogen 3.031 N/A ALA 93.A N GLU 89.A O no hydrogen 2.937 N/A SER 94.A N LEU 90.A O no hydrogen 2.834 N/A LEU 95.A N ALA 91.A O no hydrogen 2.927 N/A ARG 96.A N ASP 92.A O no hydrogen 2.963 N/A ARG 96.A NE ASP 92.A OD1 no hydrogen 3.181 N/A ARG 96.A NE ASP 92.A OD2 no hydrogen 3.369 N/A ARG 96.A NH1 ARG 177.A O no hydrogen 2.963 N/A ARG 96.A NH2 ASP 92.A OD1 no hydrogen 3.481 N/A TYR 97.A N ALA 93.A O no hydrogen 3.200 N/A SER 98.A OG SER 40.A OG no hydrogen 3.193 N/A ASP 99.A N ALA 93.A O no hydrogen 3.213 N/A ASN 100.A N TYR 73.A O no hydrogen 2.996 N/A ASN 100.A ND2 ASN 72.A OD1 no hydrogen 2.738 N/A ALA 102.A N ASP 99.A OD1 no hydrogen 3.065 N/A GLN 103.A N ASP 99.A O no hydrogen 3.222 N/A GLN 103.A NE2 THR 46.A OG1 no hydrogen 2.942 N/A ASN 104.A N ASN 100.A O no hydrogen 3.094 N/A LEU 105.A N ALA 101.A O no hydrogen 2.865 N/A ILE 106.A N ALA 102.A O no hydrogen 2.897 N/A LEU 107.A N GLN 103.A O no hydrogen 2.784 N/A LYS 108.A N ASN 104.A O no hydrogen 2.931 N/A GLN 109.A N LEU 105.A O no hydrogen 3.201 N/A ILE 110.A N ILE 106.A O no hydrogen 3.020 N/A ILE 110.A N LEU 107.A O no hydrogen 3.304 N/A GLY 111.A N LYS 108.A O no hydrogen 3.278 N/A GLY 112.A N LEU 107.A O no hydrogen 2.711 N/A SER 115.A OG ILE 110.A O no hydrogen 2.923 N/A LEU 116.A N GLY 112.A O no hydrogen 2.986 N/A LYS 117.A N PRO 113.A O no hydrogen 2.906 N/A LYS 117.A NZ GLU 131.A OE2 no hydrogen 2.879 N/A LYS 118.A N GLU 114.A O no hydrogen 3.172 N/A LYS 118.A NZ GLU 119.A OE2 no hydrogen 3.445 N/A GLU 119.A N SER 115.A O no hydrogen 3.027 N/A LEU 120.A N LEU 116.A O no hydrogen 2.941 N/A ARG 121.A N LYS 117.A O no hydrogen 2.854 N/A ARG 121.A NH1 ASP 125.A O no hydrogen 2.765 N/A ARG 121.A NH1 THR 128.A O no hydrogen 2.786 N/A ARG 121.A NH2 THR 128.A O no hydrogen 3.215 N/A LYS 122.A N LYS 118.A O no hydrogen 2.977 N/A LYS 122.A NZ GLU 119.A OE1 no hydrogen 2.812 N/A LYS 122.A NZ GLU 119.A OE2 no hydrogen 3.282 N/A ILE 123.A N GLU 119.A O no hydrogen 3.188 N/A ILE 123.A N LEU 120.A O no hydrogen 3.191 N/A GLY 124.A N ARG 121.A O no hydrogen 3.026 N/A ASP 125.A N LEU 120.A O no hydrogen 2.886 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 3.040 N/A THR 128.A N ASP 125.A OD1 no hydrogen 2.918 N/A THR 128.A OG1 ASP 125.A OD1 no hydrogen 3.211 N/A THR 128.A OG1 ASP 125.A OD2 no hydrogen 2.575 N/A THR 128.A OG1 SER 145.A OG no hydrogen 2.715 N/A ASN 129.A N THR 144.A O no hydrogen 2.938 N/A GLU 131.A N ASP 143.A OD1 no hydrogen 2.687 N/A ARG 132.A N ASP 143.A OD1 no hydrogen 3.207 N/A GLU 140.A N ASN 137.A O no hydrogen 2.726 N/A GLN 142.A NE2 GLU 140.A OE1 no hydrogen 3.332 N/A THR 144.A N THR 141.A O no hydrogen 3.188 N/A THR 144.A OG1 THR 141.A O no hydrogen 2.498 N/A SER 145.A N PHE 36.A O no hydrogen 3.018 N/A SER 145.A OG THR 128.A OG1 no hydrogen 2.715 N/A ARG 148.A N PRO 32.A O no hydrogen 3.073 N/A ARG 148.A NE ASP 33.A OD1 no hydrogen 2.694 N/A ARG 148.A NE ASP 33.A OD2 no hydrogen 3.426 N/A ARG 148.A NH2 ASP 33.A OD2 no hydrogen 2.798 N/A ALA 149.A N THR 146.A OG1 no hydrogen 3.105 N/A LEU 150.A N THR 146.A O no hydrogen 2.943 N/A VAL 151.A N ALA 147.A O no hydrogen 3.136 N/A THR 152.A N ARG 148.A O no hydrogen 3.037 N/A THR 152.A OG1 ARG 148.A O no hydrogen 2.684 N/A SER 153.A N ALA 149.A O no hydrogen 2.998 N/A SER 153.A OG ASP 125.A OD2 no hydrogen 2.549 N/A SER 153.A OG ALA 149.A O no hydrogen 3.317 N/A LEU 154.A N LEU 150.A O no hydrogen 2.921 N/A ARG 155.A N VAL 151.A O no hydrogen 2.820 N/A ALA 156.A N THR 152.A O no hydrogen 3.008 N/A PHE 157.A N SER 153.A O no hydrogen 3.243 N/A ALA 158.A N LEU 154.A O no hydrogen 2.986 N/A LEU 159.A N ARG 155.A O no hydrogen 2.876 N/A GLU 160.A N ARG 155.A O no hydrogen 3.073 N/A LYS 162.A N ALA 156.A O no hydrogen 3.343 N/A LYS 167.A NZ LEU 51.A O no hydrogen 3.069 N/A LYS 167.A NZ LYS 54.A O no hydrogen 2.852 N/A ARG 168.A N PRO 164.A O no hydrogen 2.922 N/A ARG 168.A NE GLU 160.A O no hydrogen 3.103 N/A ARG 168.A NE LEU 163.A O no hydrogen 3.040 N/A ARG 168.A NH2 LEU 163.A O no hydrogen 2.968 N/A GLU 169.A N SER 165.A O no hydrogen 2.884 N/A LEU 170.A N GLU 166.A O no hydrogen 3.342 N/A LEU 171.A N LYS 167.A O no hydrogen 3.184 N/A ILE 172.A N ARG 168.A O no hydrogen 2.992 N/A ASP 173.A N GLU 169.A O no hydrogen 2.925 N/A TRP 174.A N LEU 170.A O no hydrogen 3.017 N/A MET 175.A N LEU 171.A O no hydrogen 3.116 N/A LYS 176.A N ILE 172.A O no hydrogen 2.788 N/A LYS 176.A NZ GLU 194.A OE2 no hydrogen 2.862 N/A ARG 177.A N ASP 173.A O no hydrogen 3.018 N/A ARG 177.A NE ASP 173.A OD1 no hydrogen 3.299 N/A ARG 177.A NE ASP 173.A OD2 no hydrogen 3.110 N/A ARG 177.A NH2 ASP 173.A OD2 no hydrogen 2.980 N/A ASN 178.A N MET 175.A O no hydrogen 3.309 N/A ASN 178.A ND2 THR 180.A OG1 no hydrogen 3.080 N/A ASN 178.A ND2 ASP 197.A OD1 no hydrogen 2.986 N/A ASN 178.A ND2 ASP 197.A OD2 no hydrogen 3.247 N/A THR 179.A N ARG 96.A O no hydrogen 3.001 N/A THR 179.A OG1 ARG 96.A O no hydrogen 2.625 N/A THR 180.A N ASN 178.A OD1 no hydrogen 3.140 N/A THR 180.A OG1 ASN 178.A OD1 no hydrogen 3.076 N/A THR 180.A OG1 THR 199.A OG1 no hydrogen 2.708 N/A LEU 184.A N GLY 181.A O no hydrogen 3.208 N/A ILE 185.A N ASP 209.A OD2 no hydrogen 3.077 N/A ARG 186.A NE ASP 197.A OD1 no hydrogen 2.916 N/A ARG 186.A NH1 LYS 176.A O no hydrogen 3.481 N/A ARG 186.A NH2 LYS 176.A O no hydrogen 3.076 N/A ARG 186.A NH2 ASP 197.A OD1 no hydrogen 2.962 N/A ALA 187.A N LEU 184.A O no hydrogen 3.022 N/A GLY 188.A N ILE 185.A O no hydrogen 2.967 N/A ALA 196.A N ILE 212.A O no hydrogen 2.920 N/A ASP 197.A N MET 175.A O no hydrogen 3.089 N/A LYS 198.A N ILE 210.A O no hydrogen 2.905 N/A LYS 198.A NZ SER 98.A OG no hydrogen 2.772 N/A LYS 198.A NZ THR 199.A O no hydrogen 2.922 N/A THR 199.A OG1 THR 180.A OG1 no hydrogen 2.708 N/A GLY 200.A N ASN 208.A O no hydrogen 2.910 N/A ALA 202.A N THR 206.A O no hydrogen 2.916 N/A TYR 204.A N LYS 232.A O no hydrogen 2.778 N/A TYR 204.A OH ASN 137.A OD1 no hydrogen 2.883 N/A THR 206.A N ALA 202.A O no hydrogen 3.053 N/A THR 206.A OG1 SER 203.A O no hydrogen 2.944 N/A ARG 207.A N SER 227.A O no hydrogen 3.082 N/A ARG 207.A NE ASP 238.A OD1 no hydrogen 2.828 N/A ARG 207.A NH1 GLY 200.A O no hydrogen 3.209 N/A ARG 207.A NH2 ASP 238.A OD1 no hydrogen 3.159 N/A ASN 208.A N GLY 200.A O no hydrogen 2.938 N/A ASN 208.A ND2 ALA 37.A O no hydrogen 2.783 N/A ASN 208.A ND2 PHE 38.A O no hydrogen 3.251 N/A ASP 209.A N VAL 225.A O no hydrogen 2.970 N/A ILE 210.A N LYS 198.A O no hydrogen 3.073 N/A ALA 211.A N LEU 223.A O no hydrogen 2.875 N/A ILE 212.A N ALA 196.A O no hydrogen 2.846 N/A ILE 213.A N VAL 221.A O no hydrogen 2.684 N/A TRP 214.A N GLU 194.A O no hydrogen 2.872 N/A VAL 221.A N ILE 213.A O no hydrogen 2.780 N/A VAL 222.A N LEU 20.A O no hydrogen 2.954 N/A LEU 223.A N ALA 211.A O no hydrogen 2.902 N/A ALA 224.A N PHE 18.A O no hydrogen 2.840 N/A VAL 225.A N ASP 209.A O no hydrogen 2.903 N/A LEU 226.A N GLY 16.A O no hydrogen 2.768 N/A SER 227.A N ASN 208.A OD1 no hydrogen 3.303 N/A SER 227.A OG ARG 207.A O no hydrogen 2.673 N/A SER 228.A N LYS 14.A O no hydrogen 3.104 N/A ARG 229.A N TYR 204.A O no hydrogen 2.709 N/A ARG 229.A NE ASP 12.A O no hydrogen 2.988 N/A ARG 229.A NH1 LYS 235.A O no hydrogen 2.664 N/A ARG 229.A NH2 ASP 12.A OD2 no hydrogen 2.869 N/A ALA 234.A N LYS 231.A O no hydrogen 3.120 N/A LYS 239.A N ASP 237.A OD1 no hydrogen 3.010 N/A LEU 240.A N ASP 237.A O no hydrogen 3.010 N/A ILE 241.A N ASP 238.A O no hydrogen 2.996 N/A ALA 242.A N ASP 238.A O no hydrogen 3.227 N/A GLU 243.A N LYS 239.A O no hydrogen 2.843 N/A ALA 244.A N LEU 240.A O no hydrogen 2.928 N/A THR 245.A N ILE 241.A O no hydrogen 3.005 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.838 N/A LYS 246.A N ALA 242.A O no hydrogen 3.123 N/A LYS 246.A NZ GLU 243.A OE2 no hydrogen 2.898 N/A VAL 247.A N GLU 243.A O no hydrogen 3.095 N/A VAL 248.A N ALA 244.A O no hydrogen 2.979 N/A MET 249.A N THR 245.A O no hydrogen 2.921 N/A LYS 250.A N LYS 246.A O no hydrogen 2.956 N/A ALA 251.A N VAL 247.A O no hydrogen 3.114 N/A LEU 252.A N VAL 248.A O no hydrogen 3.127 N/A LEU 252.A N MET 249.A O no hydrogen 3.326 N/A ASN 253.A N MET 249.A O no hydrogen 2.824 N/A