Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 17.A O.A no hydrogen 3.239 N/A MET 1.A N GLU 17.A O.B no hydrogen 3.278 N/A HIS 4.A N VAL 21.A O no hydrogen 2.774 N/A HIS 4.A ND1 THR 6.A OG1 no hydrogen 2.947 N/A THR 6.A N HIS 4.A ND1 no hydrogen 3.265 N/A THR 6.A OG1 HIS 4.A ND1 no hydrogen 2.947 N/A ALA 7.A N HIS 4.A O no hydrogen 2.860 N/A ILE 8.A N SER 25.A O no hydrogen 2.823 N/A ASP 10.A N ILE 27.A O no hydrogen 2.838 N/A LYS 12.A N ASP 10.A OD1 no hydrogen 2.663 N/A ALA 13.A N ASP 10.A O no hydrogen 3.163 N/A GLU 14.A N VAL 31.A O no hydrogen 2.784 N/A HIS 16.A N ILE 33.A O no hydrogen 3.063 N/A SER 18.A N HIS 16.A ND1 no hydrogen 3.032 N/A SER 18.A OG HIS 16.A ND1 no hydrogen 2.942 N/A VAL 19.A N HIS 16.A O no hydrogen 3.087 N/A GLU 20.A N THR 37.A O no hydrogen 3.274 N/A VAL 21.A N LYS 2.A O no hydrogen 3.358 N/A GLY 22.A N ILE 39.A O no hydrogen 2.676 N/A TYR 24.A N THR 6.A OG1 no hydrogen 3.148 N/A SER 25.A OG GLY 22.A O no hydrogen 3.470 N/A SER 25.A OG GLU 40.A O no hydrogen 2.645 N/A ILE 26.A N VAL 43.A O no hydrogen 2.788 N/A ILE 27.A N ILE 8.A O no hydrogen 2.780 N/A GLU 28.A N ILE 45.A O no hydrogen 2.954 N/A SER 32.A N.A SER 49.A O no hydrogen 2.936 N/A SER 32.A N.B SER 49.A O no hydrogen 2.932 N/A ILE 33.A N GLU 14.A O no hydrogen 2.882 N/A GLN 34.A N ILE 51.A O no hydrogen 2.816 N/A GLY 36.A N SER 18.A OG no hydrogen 2.797 N/A THR 37.A OG1 GLY 52.A O no hydrogen 2.964 N/A ILE 38.A N ASN 55.A O no hydrogen 2.882 N/A ILE 39.A N GLU 20.A O no hydrogen 2.732 N/A GLU 40.A N PHE 57.A O no hydrogen 2.866 N/A HIS 42.A N PRO 23.A O no hydrogen 2.904 N/A VAL 43.A N SER 25.A OG no hydrogen 3.037 N/A LYS 44.A N ALA 61.A O no hydrogen 3.031 N/A ILE 45.A N ILE 26.A O no hydrogen 2.858 N/A CYS 46.A N ILE 63.A O no hydrogen 2.873 N/A ALA 47.A N GLU 28.A OE1 no hydrogen 2.904 N/A GLY 48.A N ASN 30.A O no hydrogen 2.817 N/A SER 49.A N CYS 46.A O no hydrogen 3.253 N/A SER 49.A OG CYS 46.A O no hydrogen 2.966 N/A GLU 50.A N THR 80.A O no hydrogen 2.789 N/A ILE 51.A N SER 32.A O.A no hydrogen 2.692 N/A ILE 51.A N SER 32.A O.B no hydrogen 2.700 N/A GLY 52.A N ILE 82.A O no hydrogen 2.920 N/A LYS 53.A N ASP 84.A OD1 no hydrogen 2.706 N/A PHE 54.A N GLU 35.A O no hydrogen 2.786 N/A ASN 55.A N THR 37.A OG1 no hydrogen 3.107 N/A ASN 55.A ND2 GLY 83.A O no hydrogen 2.776 N/A ARG 56.A N ASN 86.A O no hydrogen 2.844 N/A ARG 56.A NE GLU 40.A OE2 no hydrogen 3.264 N/A ARG 56.A NH2 GLU 40.A OE2 no hydrogen 2.964 N/A PHE 57.A N ILE 38.A O no hydrogen 2.838 N/A HIS 58.A N PHE 88.A O no hydrogen 2.840 N/A HIS 58.A ND1 GLU 90.A OE2 no hydrogen 3.022 N/A GLN 59.A N GLU 40.A OE1 no hydrogen 3.053 N/A GLY 60.A N GLY 41.A O no hydrogen 3.227 N/A ALA 61.A N HIS 58.A O no hydrogen 3.121 N/A VAL 62.A N SER 92.A O no hydrogen 2.904 N/A ILE 63.A N LYS 44.A O no hydrogen 2.795 N/A GLY 64.A N ILE 94.A O no hydrogen 2.681 N/A VAL 65.A N ILE 94.A O no hydrogen 3.278 N/A GLY 71.A N ASP 69.A OD2 no hydrogen 3.180 N/A PHE 72.A N ASP 69.A O no hydrogen 3.284 N/A GLN 75.A N ASN 73.A OD1 no hydrogen 3.016 N/A LEU 76.A N ASN 73.A O no hydrogen 3.241 N/A THR 78.A OG1 GLY 97.A O no hydrogen 2.754 N/A LYS 79.A NZ GLU 50.A OE2 no hydrogen 2.711 N/A THR 80.A N GLY 48.A O no hydrogen 3.093 N/A VAL 81.A N THR 104.A O no hydrogen 2.702 N/A ILE 82.A N GLU 50.A O no hydrogen 2.853 N/A GLY 83.A N ILE 106.A O no hydrogen 2.950 N/A ASP 84.A N ASN 108.A OD1 no hydrogen 2.776 N/A HIS 85.A N LYS 53.A O no hydrogen 2.819 N/A ASN 86.A N ASN 55.A OD1 no hydrogen 2.768 N/A ASN 86.A ND2 ASN 55.A OD1 no hydrogen 2.961 N/A ASN 86.A ND2 GLY 107.A O no hydrogen 2.937 N/A ILE 87.A N ASN 110.A O no hydrogen 2.969 N/A PHE 88.A N ARG 56.A O no hydrogen 2.904 N/A ARG 89.A N PHE 112.A O no hydrogen 2.689 N/A ARG 89.A NE GLU 90.A OE1 no hydrogen 2.924 N/A ARG 89.A NH1 TYR 111.A OH no hydrogen 3.161 N/A ARG 89.A NH2 GLU 90.A OE1 no hydrogen 3.004 N/A ARG 89.A NH2 GLU 90.A OE2 no hydrogen 3.393 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.799 N/A TYR 91.A N GLN 59.A O no hydrogen 3.181 N/A SER 92.A N ARG 89.A O no hydrogen 3.155 N/A SER 92.A OG ARG 89.A O no hydrogen 2.878 N/A ASN 93.A N.A SER 116.A O no hydrogen 2.893 N/A ASN 93.A N.B SER 116.A O no hydrogen 2.903 N/A ASN 93.A ND2.B TYR 91.A O no hydrogen 2.893 N/A ILE 94.A N VAL 62.A O no hydrogen 2.840 N/A HIS 95.A N VAL 118.A O no hydrogen 2.918 N/A LYS 96.A N VAL 65.A O no hydrogen 3.223 N/A GLY 97.A N LYS 79.A O no hydrogen 3.154 N/A THR 98.A N ASP 121.A OD1 no hydrogen 2.969 N/A THR 98.A OG1 ASP 121.A OD1 no hydrogen 3.227 N/A THR 98.A OG1 ASP 121.A OD2 no hydrogen 2.509 N/A LYS 99.A NZ ASP 101.A OD1 no hydrogen 3.286 N/A SER 102.A N LYS 99.A O no hydrogen 2.843 N/A SER 102.A OG ASP 121.A OD1 no hydrogen 2.732 N/A THR 104.A N LYS 79.A O no hydrogen 3.201 N/A THR 104.A OG1 HIS 95.A O no hydrogen 2.606 N/A VAL 105.A N CYS 122.A O no hydrogen 3.058 N/A ILE 106.A N VAL 81.A O no hydrogen 2.765 N/A GLY 107.A N LEU 124.A O no hydrogen 2.808 N/A ASN 108.A N ASN 126.A OD1 no hydrogen 2.927 N/A LYS 109.A N ASP 84.A O no hydrogen 2.861 N/A ASN 110.A N ASN 86.A OD1 no hydrogen 2.943 N/A ASN 110.A ND2 ASN 86.A OD1 no hydrogen 3.067 N/A ASN 110.A ND2 GLY 125.A O no hydrogen 2.945 N/A TYR 111.A N ASN 128.A O no hydrogen 2.857 N/A PHE 112.A N ILE 87.A O no hydrogen 2.740 N/A MET 113.A N LEU 130.A O no hydrogen 2.764 N/A ASN 115.A N GLU 90.A O no hydrogen 3.002 N/A SER 116.A N MET 113.A O no hydrogen 3.042 N/A SER 116.A OG MET 113.A O no hydrogen 2.674 N/A HIS 117.A N ALA 134.A O no hydrogen 2.871 N/A VAL 118.A N ASN 93.A O.A no hydrogen 2.896 N/A VAL 118.A N ASN 93.A O.B no hydrogen 3.010 N/A GLY 119.A N LEU 136.A O no hydrogen 3.037 N/A HIS 120.A ND1 ASP 121.A OD2 no hydrogen 2.799 N/A ASP 121.A N THR 104.A OG1 no hydrogen 3.041 N/A CYS 122.A N GLY 119.A O no hydrogen 3.287 N/A CYS 122.A SG GLY 119.A O no hydrogen 3.259 N/A CYS 122.A SG ALA 137.A O no hydrogen 3.066 N/A ILE 123.A N VAL 140.A O no hydrogen 2.966 N/A LEU 124.A N VAL 105.A O no hydrogen 2.802 N/A GLY 125.A N LEU 142.A O no hydrogen 3.062 N/A ASN 126.A N ASN 144.A OD1 no hydrogen 2.807 N/A ASN 127.A N ASN 108.A O no hydrogen 2.905 N/A ASN 128.A N ASN 110.A OD1 no hydrogen 2.847 N/A ASN 128.A ND2 ASN 110.A OD1 no hydrogen 3.050 N/A ASN 128.A ND2 GLY 143.A O no hydrogen 2.935 N/A ILE 129.A N ALA 146.A O no hydrogen 2.968 N/A LEU 130.A N TYR 111.A O no hydrogen 2.758 N/A THR 131.A N ILE 148.A O no hydrogen 2.927 N/A THR 131.A OG1 ILE 148.A O no hydrogen 2.748 N/A GLY 133.A N GLY 114.A O no hydrogen 3.132 N/A ALA 134.A N THR 131.A O no hydrogen 3.120 N/A VAL 135.A N VAL 152.A O no hydrogen 2.778 N/A LEU 136.A N HIS 117.A O no hydrogen 2.950 N/A ALA 137.A N VAL 154.A O no hydrogen 2.962 N/A HIS 139.A N HIS 120.A O no hydrogen 2.854 N/A THR 141.A N CYS 158.A O no hydrogen 3.078 N/A LEU 142.A N ILE 123.A O no hydrogen 2.788 N/A GLY 143.A N VAL 160.A O no hydrogen 3.074 N/A ASN 144.A N ASP 162.A OD1 no hydrogen 2.843 N/A PHE 145.A N ASN 126.A O no hydrogen 2.803 N/A ALA 146.A N ASN 128.A OD1 no hydrogen 2.815 N/A PHE 147.A N SER 164.A O no hydrogen 2.821 N/A ILE 148.A N ILE 129.A O no hydrogen 2.918 N/A SER 149.A N VAL 166.A O no hydrogen 2.746 N/A GLY 150.A N SER 149.A OG no hydrogen 2.647 N/A LEU 151.A N HIS 132.A O no hydrogen 3.084 N/A ALA 153.A N ALA 170.A O no hydrogen 3.307 N/A VAL 154.A N VAL 135.A O no hydrogen 2.923 N/A HIS 155.A N VAL 172.A O no hydrogen 2.819 N/A HIS 155.A ND1 GLN 156.A O no hydrogen 2.848 N/A GLN 156.A N GLN 156.A OE1 no hydrogen 2.831 N/A PHE 157.A N HIS 139.A O no hydrogen 2.917 N/A CYS 158.A SG HIS 155.A O no hydrogen 3.385 N/A PHE 159.A N ASP 175.A OD1 no hydrogen 2.749 N/A VAL 160.A N THR 141.A O no hydrogen 2.710 N/A GLY 161.A N VAL 176.A O no hydrogen 2.725 N/A ASP 162.A N TYR 243.A OH no hydrogen 2.796 N/A TYR 163.A N ASN 144.A O no hydrogen 3.064 N/A SER 164.A OG GLY 161.A O no hydrogen 2.695 N/A MET 165.A N SER 180.A O no hydrogen 2.797 N/A VAL 166.A N PHE 147.A O no hydrogen 2.747 N/A ALA 167.A N VAL 182.A O no hydrogen 2.961 N/A LEU 169.A N GLY 150.A O no hydrogen 2.862 N/A ALA 170.A N ALA 167.A O no hydrogen 3.200 N/A LYS 171.A N GLY 184.A O no hydrogen 2.990 N/A VAL 172.A N ALA 153.A O no hydrogen 2.956 N/A GLN 174.A NE2 ARG 253.A O no hydrogen 2.868 N/A ASP 175.A N GLY 254.A O no hydrogen 2.939 N/A VAL 176.A N PHE 159.A O no hydrogen 2.827 N/A TYR 179.A N ASP 162.A O no hydrogen 2.948 N/A SER 180.A OG PRO 178.A O no hydrogen 3.060 N/A THR 181.A N GLY 191.A O no hydrogen 2.819 N/A VAL 182.A N MET 165.A O no hydrogen 2.820 N/A ASP 183.A N THR 188.A O no hydrogen 2.933 N/A SER 187.A OG LYS 171.A O no hydrogen 2.822 N/A THR 188.A N ASP 183.A O no hydrogen 2.949 N/A THR 188.A OG1 ASP 183.A O no hydrogen 3.510 N/A VAL 189.A N ASN 257.A O no hydrogen 2.826 N/A VAL 190.A N THR 181.A O no hydrogen 2.807 N/A ASN 193.A N TYR 179.A O no hydrogen 2.601 N/A ASN 193.A ND2 TYR 163.A O no hydrogen 2.572 N/A GLY 196.A N ASN 193.A OD1 no hydrogen 3.171 N/A MET 197.A N ASN 193.A O no hydrogen 3.039 N/A LYS 198.A N SER 194.A O no hydrogen 2.865 N/A ARG 199.A N VAL 195.A O no hydrogen 3.152 N/A ALA 200.A N GLY 196.A O no hydrogen 3.100 N/A GLY 201.A N LYS 198.A O no hydrogen 2.941 N/A PHE 202.A N MET 197.A O no hydrogen 3.068 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.906 N/A VAL 206.A N SER 203.A OG no hydrogen 3.003 N/A ARG 207.A N SER 203.A O no hydrogen 2.931 N/A ARG 207.A NE PHE 202.A O no hydrogen 3.455 N/A ASN 208.A N PRO 204.A O no hydrogen 2.897 N/A ALA 209.A N GLU 205.A O no hydrogen 2.993 N/A ILE 210.A N VAL 206.A O no hydrogen 2.894 N/A LYS 211.A N ARG 207.A O no hydrogen 2.913 N/A HIS 212.A N ASN 208.A O no hydrogen 2.896 N/A ALA 213.A N ALA 209.A O no hydrogen 3.151 N/A TYR 214.A N ILE 210.A O no hydrogen 3.196 N/A TYR 214.A OH PRO 178.A O no hydrogen 2.622 N/A LYS 215.A N LYS 211.A O no hydrogen 2.835 N/A LYS 215.A NZ HIS 212.A ND1 no hydrogen 3.100 N/A VAL 216.A N HIS 212.A O no hydrogen 3.008 N/A ILE 217.A N ALA 213.A O no hydrogen 2.930 N/A TYR 218.A N TYR 214.A O no hydrogen 2.895 N/A HIS 219.A N LYS 215.A O no hydrogen 2.796 N/A SER 220.A OG LYS 215.A O no hydrogen 2.721 N/A SER 220.A OG VAL 216.A O no hydrogen 3.514 N/A LYS 226.A N SER 223.A OG no hydrogen 3.280 N/A ALA 227.A N SER 223.A O no hydrogen 2.900 N/A LEU 228.A N THR 224.A O no hydrogen 3.059 N/A ASP 229.A N ARG 225.A O no hydrogen 3.351 N/A GLU 230.A N LYS 226.A O no hydrogen 2.953 N/A LEU 231.A N ALA 227.A O no hydrogen 3.115 N/A GLU 232.A N LEU 228.A O no hydrogen 3.255 N/A ALA 233.A N ASP 229.A O no hydrogen 3.213 N/A SER 234.A N LEU 231.A O no hydrogen 3.317 N/A SER 234.A OG LEU 231.A O no hydrogen 2.640 N/A GLN 240.A N GLN 240.A OE1 no hydrogen 2.739 N/A VAL 241.A N ILE 238.A O no hydrogen 2.950 N/A LYS 242.A N ILE 238.A O no hydrogen 3.045 N/A TYR 243.A N GLU 239.A O no hydrogen 2.937 N/A ILE 244.A N GLN 240.A O no hydrogen 3.081 N/A ILE 245.A N VAL 241.A O no hydrogen 3.047 N/A LYS 246.A N LYS 242.A O no hydrogen 3.073 N/A PHE 247.A N TYR 243.A O no hydrogen 2.896 N/A PHE 248.A N ILE 244.A O no hydrogen 3.073 N/A ARG 249.A N ILE 245.A O no hydrogen 3.026 N/A ARG 249.A NH1 ASP 229.A OD1 no hydrogen 3.530 N/A ARG 249.A NH2 ASP 229.A OD1 no hydrogen 2.975 N/A ARG 249.A NH2 GLU 232.A OE1 no hydrogen 2.920 N/A ASP 250.A N LYS 246.A O no hydrogen 2.949 N/A SER 251.A OG ASP 175.A OD2 no hydrogen 2.497 N/A ARG 253.A NE VAL 173.A O no hydrogen 2.729 N/A ARG 253.A NH2 VAL 173.A O no hydrogen 2.892 N/A GLY 254.A N SER 251.A OG no hydrogen 2.887 N/A THR 256.A N ASP 175.A O no hydrogen 2.991 N/A THR 256.A OG1 ASP 175.A O no hydrogen 2.719 N/A HIS 258.A ND1 ARG 259.A O no hydrogen 2.754 N/A ARG 259.A N VAL 189.A O no hydrogen 2.831 N/A ARG 259.A NH2 ASP 183.A OD2 no hydrogen 3.187 N/A