Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3li8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 222.A OE2 no hydrogen 2.704 N/A GLU 5.A N LYS 1.A O no hydrogen 3.126 N/A LYS 6.A N LEU 2.A O no hydrogen 2.871 N/A SER 7.A N ALA 3.A O no hydrogen 3.063 N/A SER 7.A OG ALA 3.A O no hydrogen 3.098 N/A ILE 8.A N TYR 4.A O no hydrogen 2.902 N/A GLU 9.A N GLU 5.A O no hydrogen 2.984 N/A GLY 11.A N ILE 8.A O no hydrogen 2.991 N/A ASN 12.A N GLU 9.A O no hydrogen 2.822 N/A ALA 14.A N ALA 10.A O no hydrogen 2.900 N/A ASN 15.A N GLY 11.A O no hydrogen 2.919 N/A GLN 16.A N ASN 12.A O no hydrogen 2.915 N/A GLN 16.A NE2 ASN 12.A O no hydrogen 3.688 N/A GLN 16.A NE2 ASN 12.A OD1 no hydrogen 2.919 N/A PHE 17.A N TYR 13.A O no hydrogen 2.978 N/A ASP 18.A N ALA 14.A O no hydrogen 2.801 N/A ALA 19.A N ASN 15.A O no hydrogen 3.007 N/A GLN 20.A NE2 ASN 23.A OD1 no hydrogen 3.144 N/A ALA 22.A N ALA 19.A O no hydrogen 3.112 N/A ASN 23.A N GLN 20.A O no hydrogen 2.913 N/A ALA 25.A N GLU 21.A O no hydrogen 3.059 N/A ILE 26.A N ALA 22.A O no hydrogen 3.044 N/A ILE 26.A N ASN 23.A O no hydrogen 3.133 N/A ALA 27.A N ASN 23.A O no hydrogen 3.292 N/A ARG 28.A N GLN 24.A O no hydrogen 2.969 N/A ARG 28.A NE ASP 122.A OD2 no hydrogen 2.986 N/A THR 29.A N ALA 25.A O no hydrogen 2.870 N/A THR 29.A OG1 ALA 25.A O no hydrogen 2.738 N/A LEU 30.A N ILE 26.A O no hydrogen 2.982 N/A ALA 31.A N ALA 27.A O no hydrogen 2.925 N/A CYS 32.A N ARG 28.A O no hydrogen 2.956 N/A CYS 32.A SG ARG 28.A O no hydrogen 3.501 N/A THR 33.A N THR 29.A O no hydrogen 3.025 N/A THR 33.A OG1 THR 29.A O no hydrogen 2.768 N/A GLU 35.A N THR 33.A O no hydrogen 3.002 N/A TYR 36.A OH GLU 43.A OE1 no hydrogen 2.707 N/A GLY 37.A N GLU 35.A O no hydrogen 3.062 N/A GLN 39.A N TYR 36.A O no hydrogen 3.392 N/A ARG 41.A NE ASP 70.A OD2 no hydrogen 2.964 N/A ARG 41.A NH1 HIS 82.A NE2 no hydrogen 2.882 N/A ARG 41.A NH1 GLY 86.A O no hydrogen 2.760 N/A ARG 41.A NH2 ASP 70.A OD1 no hydrogen 2.878 N/A ARG 41.A NH2 ASP 70.A OD2 no hydrogen 3.522 N/A ARG 41.A NH2 ASP 73.A OD1 no hydrogen 3.058 N/A ARG 41.A NH2 GLY 86.A O no hydrogen 3.447 N/A GLU 43.A N ASP 40.A OD1 no hydrogen 2.935 N/A ALA 44.A N ASP 40.A O no hydrogen 2.976 N/A SER 45.A OG GLU 42.A O no hydrogen 3.406 N/A ILE 46.A N GLU 43.A O no hydrogen 2.831 N/A ILE 47.A N ALA 44.A O no hydrogen 3.119 N/A ARG 49.A N SER 45.A O no hydrogen 2.967 N/A ARG 49.A NE GLU 53.A OE2 no hydrogen 2.915 N/A ILE 50.A N ILE 46.A O no hydrogen 2.937 N/A LEU 51.A N ILE 47.A O no hydrogen 2.911 N/A ASN 52.A N LYS 48.A O no hydrogen 2.897 N/A GLU 53.A N ARG 49.A O no hydrogen 2.930 N/A ASN 54.A N LEU 51.A O no hydrogen 3.092 N/A ASN 54.A ND2 ILE 50.A O no hydrogen 2.899 N/A GLN 56.A N GLN 56.A OE1 no hydrogen 2.730 N/A GLN 56.A NE2 ASN 23.A OD1 no hydrogen 2.910 N/A GLN 56.A NE2 ASN 54.A OD1 no hydrogen 3.135 N/A LEU 57.A N ASN 54.A O no hydrogen 2.825 N/A ILE 58.A N ASP 154.A O no hydrogen 2.934 N/A VAL 60.A N CYS 92.A O no hydrogen 2.860 N/A TYR 61.A N GLY 152.A O no hydrogen 3.018 N/A TYR 61.A OH ASP 138.A OD1 no hydrogen 2.664 N/A TYR 61.A OH ASP 154.A OD1 no hydrogen 2.937 N/A LEU 62.A N PRO 90.A O no hydrogen 3.254 N/A GLY 63.A N ILE 150.A O no hydrogen 3.010 N/A TYR 64.A N PHE 88.A O no hydrogen 2.919 N/A GLU 65.A N ALA 148.A O no hydrogen 2.907 N/A ASP 67.A N ASP 73.A OD2 no hydrogen 2.737 N/A ALA 68.A N GLU 65.A O no hydrogen 3.124 N/A GLY 71.A N ASP 67.A O no hydrogen 2.830 N/A ARG 72.A N ASP 70.A OD1 no hydrogen 2.901 N/A ARG 72.A NH1 TYR 76.A OH no hydrogen 3.026 N/A ASP 73.A N ASP 67.A OD1 no hydrogen 3.084 N/A ASN 75.A N ARG 72.A O no hydrogen 2.954 N/A TYR 76.A N ASP 73.A O no hydrogen 3.081 N/A ASN 78.A N ASP 83.A O no hydrogen 2.974 N/A ALA 79.A N TYR 76.A O no hydrogen 3.125 N/A HIS 82.A N ALA 79.A O no hydrogen 2.963 N/A HIS 82.A ND1 PRO 80.A O no hydrogen 2.854 N/A THR 85.A N ASP 83.A OD1 no hydrogen 2.931 N/A THR 85.A OG1 ASP 83.A OD1 no hydrogen 2.686 N/A GLY 86.A N ASP 83.A O no hydrogen 3.298 N/A ARG 87.A N THR 85.A OG1 no hydrogen 2.974 N/A ARG 87.A NE TYR 64.A O no hydrogen 2.904 N/A ARG 87.A NH1 ASP 108.A OD1 no hydrogen 3.037 N/A ARG 87.A NH2 TYR 64.A O no hydrogen 3.093 N/A TYR 91.A N GLU 102.A O no hydrogen 2.764 N/A TYR 91.A OH ASP 154.A OD2 no hydrogen 2.614 N/A CYS 92.A N VAL 60.A O no hydrogen 2.963 N/A ASN 93.A N ILE 100.A O no hydrogen 2.944 N/A LYS 94.A N ILE 58.A O no hydrogen 2.977 N/A GLY 97.A N LYS 94.A O no hydrogen 3.028 N/A ILE 100.A N ASN 93.A O no hydrogen 2.941 N/A GLU 102.A N TYR 91.A O no hydrogen 3.162 N/A LEU 104.A N VAL 89.A O no hydrogen 2.785 N/A TYR 107.A OH ASP 83.A OD2 no hydrogen 2.627 N/A SER 109.A N HIS 106.A O no hydrogen 3.051 N/A SER 109.A OG HIS 106.A O no hydrogen 3.526 N/A SER 110.A N HIS 106.A O no hydrogen 2.761 N/A TYR 112.A OH VAL 105.A O no hydrogen 2.877 N/A TYR 113.A N SER 110.A O no hydrogen 3.137 N/A TYR 113.A OH GLU 65.A OE2 no hydrogen 2.729 N/A GLN 114.A N SER 110.A O no hydrogen 2.824 N/A GLN 114.A NE2 TYR 107.A O no hydrogen 2.984 N/A LEU 115.A N ASP 111.A O no hydrogen 3.001 N/A LYS 117.A N TYR 113.A O no hydrogen 3.183 N/A LYS 117.A NZ GLU 65.A OE1 no hydrogen 2.961 N/A LYS 117.A NZ GLU 65.A OE2 no hydrogen 3.380 N/A THR 118.A N GLN 114.A O no hydrogen 2.823 N/A THR 118.A OG1 GLN 114.A O no hydrogen 3.211 N/A THR 118.A OG1 LEU 115.A O no hydrogen 3.435 N/A THR 119.A N LEU 115.A O no hydrogen 2.888 N/A THR 119.A OG1 LEU 115.A O no hydrogen 2.721 N/A GLY 120.A N PRO 116.A O no hydrogen 2.828 N/A LYS 121.A N THR 119.A OG1 no hydrogen 3.140 N/A THR 123.A N ASP 138.A O no hydrogen 2.847 N/A THR 123.A OG1 LYS 121.A O no hydrogen 3.122 N/A THR 125.A N SER 136.A O no hydrogen 2.942 N/A THR 125.A OG1 GLU 126.A O no hydrogen 2.887 N/A TYR 128.A OH SER 136.A OG no hydrogen 2.464 N/A TYR 130.A N ILE 133.A O no hydrogen 2.923 N/A ILE 133.A N TYR 130.A O no hydrogen 2.835 N/A VAL 135.A N VAL 155.A O no hydrogen 3.077 N/A SER 136.A N THR 125.A OG1 no hydrogen 3.134 N/A SER 136.A OG TYR 128.A OH no hydrogen 2.464 N/A SER 136.A OG ASP 154.A OD1 no hydrogen 2.640 N/A TYR 137.A N VAL 153.A O no hydrogen 2.931 N/A ASP 138.A N THR 123.A O no hydrogen 2.934 N/A SER 139.A N ALA 151.A O no hydrogen 2.807 N/A SER 139.A OG ASP 122.A OD1 no hydrogen 2.623 N/A ILE 141.A N GLY 149.A O no hydrogen 2.805 N/A LYS 143.A N GLU 146.A O no hydrogen 2.800 N/A LYS 143.A NZ ALA 68.A O no hydrogen 2.710 N/A GLU 146.A N LYS 143.A O no hydrogen 2.837 N/A ALA 148.A N ILE 141.A O no hydrogen 2.714 N/A ILE 150.A N GLY 63.A O no hydrogen 2.715 N/A ALA 151.A N SER 139.A O no hydrogen 2.934 N/A GLY 152.A N TYR 61.A O no hydrogen 2.944 N/A VAL 153.A N TYR 137.A O no hydrogen 2.985 N/A ASP 154.A N GLY 59.A O no hydrogen 2.948 N/A VAL 155.A N VAL 135.A O no hydrogen 2.851 N/A LEU 157.A N PHE 134.A O no hydrogen 3.010 N/A VAL 160.A N LEU 157.A O no hydrogen 2.931 N/A ASP 162.A N GLU 158.A O no hydrogen 3.037 N/A VAL 163.A N TYR 159.A O no hydrogen 2.890 N/A ALA 164.A N VAL 160.A O no hydrogen 2.791 N/A SER 165.A N ASP 161.A O no hydrogen 2.956 N/A SER 165.A OG ASP 161.A OD1 no hydrogen 2.650 N/A SER 166.A N VAL 163.A O no hydrogen 3.155 N/A SER 166.A OG VAL 163.A O no hydrogen 2.809 N/A ILE 167.A N ALA 164.A O no hydrogen 3.142 N/A THR 169.A N GLY 173.A O no hydrogen 3.163 N/A ASP 171.A N GLU 253.A OE1 no hydrogen 2.745 N/A THR 172.A N GLU 253.A OE1 no hydrogen 2.904 N/A THR 172.A OG1 GLU 253.A OE2 no hydrogen 2.854 N/A GLY 173.A N THR 169.A O no hydrogen 2.795 N/A TYR 174.A N VAL 248.A O no hydrogen 2.987 N/A PHE 176.A N VAL 246.A O no hydrogen 2.902 N/A SER 178.A N ILE 182.A O no hydrogen 2.854 N/A SER 178.A OG GLU 126.A OE1 no hydrogen 2.559 N/A ASN 179.A N GLU 126.A OE2 no hydrogen 3.245 N/A THR 180.A N GLU 126.A OE1 no hydrogen 2.968 N/A THR 180.A OG1 GLU 126.A OE1 no hydrogen 2.564 N/A GLY 181.A N SER 178.A O no hydrogen 2.916 N/A ILE 182.A N SER 178.A OG no hydrogen 3.190 N/A PHE 183.A N LYS 196.A O no hydrogen 3.210 N/A HIS 186.A N ASP 161.A OD1 no hydrogen 3.108 N/A THR 188.A N HIS 186.A ND1 no hydrogen 3.317 N/A GLN 189.A N HIS 186.A ND1 no hydrogen 2.980 N/A LYS 190.A N THR 188.A O no hydrogen 3.138 N/A LYS 190.A NZ ASP 161.A OD1 no hydrogen 3.206 N/A LYS 190.A NZ ASP 161.A OD2 no hydrogen 2.799 N/A LYS 190.A NZ HIS 186.A O no hydrogen 2.912 N/A LYS 190.A NZ PRO 187.A O no hydrogen 3.504 N/A TRP 192.A N GLN 189.A O no hydrogen 3.062 N/A ILE 193.A N LYS 190.A O no hydrogen 3.127 N/A GLY 194.A N PHE 183.A O no hydrogen 2.902 N/A GLU 195.A N TRP 192.A O no hydrogen 2.906 N/A LYS 196.A N TRP 192.A O no hydrogen 3.053 N/A SER 197.A N ASP 200.A OD2 no hydrogen 2.820 N/A SER 197.A OG THR 180.A O no hydrogen 2.823 N/A SER 197.A OG SER 199.A OG no hydrogen 3.130 N/A LEU 198.A N GLY 181.A O no hydrogen 2.836 N/A SER 199.A N SER 197.A OG no hydrogen 3.076 N/A SER 199.A OG SER 197.A OG no hydrogen 3.130 N/A ASP 200.A N SER 197.A O no hydrogen 2.818 N/A PHE 201.A N LEU 198.A O no hydrogen 3.194 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.584 N/A LYS 207.A N VAL 203.A O no hydrogen 3.060 N/A LYS 207.A NZ PHE 201.A O no hydrogen 2.812 N/A ASN 208.A N GLU 204.A O no hydrogen 2.982 N/A ALA 209.A N GLU 205.A O no hydrogen 2.957 N/A ALA 210.A N ILE 206.A O no hydrogen 2.913 N/A SER 211.A N LYS 207.A O no hydrogen 2.928 N/A ASP 212.A N ASN 208.A O no hydrogen 3.079 N/A ILE 213.A N ALA 209.A O no hydrogen 2.847 N/A ARG 214.A N ALA 210.A O no hydrogen 3.020 N/A GLU 215.A N SER 211.A O no hydrogen 3.368 N/A GLY 216.A N ILE 213.A O no hydrogen 2.990 N/A ILE 217.A N ASP 212.A O no hydrogen 2.946 N/A GLY 219.A N TYR 235.A O no hydrogen 2.880 N/A ILE 223.A N VAL 232.A O no hydrogen 2.946 N/A ASP 225.A N LYS 230.A O no hydrogen 2.982 N/A ILE 227.A N ASP 225.A OD1 no hydrogen 2.785 N/A GLY 229.A N ASP 225.A O no hydrogen 2.746 N/A LYS 230.A N THR 228.A OG1 no hydrogen 2.879 N/A VAL 232.A N ILE 223.A O no hydrogen 3.232 N/A ILE 233.A N VAL 249.A O no hydrogen 2.792 N/A TYR 235.A N GLY 219.A O no hydrogen 2.928 N/A TYR 235.A OH ASP 212.A OD2 no hydrogen 2.643 N/A GLU 236.A N PHE 245.A O no hydrogen 2.929 N/A VAL 238.A N PHE 243.A O no hydrogen 2.792 N/A THR 240.A N ASP 18.A OD1 no hydrogen 2.818 N/A THR 240.A OG1 ASP 18.A OD1 no hydrogen 2.595 N/A ASP 242.A N LYS 239.A O no hydrogen 3.495 N/A SER 244.A N VAL 177.A O no hydrogen 2.907 N/A SER 244.A OG GLU 236.A O no hydrogen 3.219 N/A PHE 245.A N GLU 236.A O no hydrogen 2.833 N/A VAL 246.A N PHE 176.A O no hydrogen 2.816 N/A LEU 247.A N PHE 234.A O no hydrogen 2.762 N/A VAL 248.A N TYR 174.A O no hydrogen 2.839 N/A VAL 249.A N ILE 233.A O no hydrogen 2.927 N/A LYS 251.A N THR 231.A O no hydrogen 2.704 N/A LYS 251.A NZ TYR 4.A OH no hydrogen 3.131 N/A LYS 251.A NZ GLU 222.A OE1 no hydrogen 2.816 N/A GLU 253.A N PRO 250.A O no hydrogen 3.005 N/A ALA 255.A N GLU 252.A O no hydrogen 2.857 N/A