Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8bav_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLU 80.A OE1 no hydrogen 2.846 N/A GLY 7.A N ASP 4.A OD1 no hydrogen 3.106 N/A PHE 8.A N ASP 4.A O no hydrogen 3.006 N/A TRP 9.A N ALA 5.A O no hydrogen 2.853 N/A GLN 10.A N ALA 6.A O no hydrogen 2.901 N/A VAL 11.A N GLY 7.A O no hydrogen 3.180 N/A TRP 12.A N PHE 8.A O no hydrogen 2.805 N/A TRP 12.A NE1 ASP 16.A OD2 no hydrogen 2.865 N/A GLN 13.A N TRP 9.A O no hydrogen 2.733 N/A ARG 14.A N VAL 11.A O no hydrogen 2.914 N/A ARG 14.A NH1 ARG 14.A O no hydrogen 3.201 N/A PHE 15.A N TRP 12.A O no hydrogen 3.089 N/A ASP 16.A N TRP 12.A O no hydrogen 2.960 N/A LYS 20.A N ASP 16.A OD1 no hydrogen 3.002 N/A GLY 21.A N ASP 16.A OD2 no hydrogen 2.915 N/A ILE 23.A N ILE 66.A O no hydrogen 3.016 N/A GLU 24.A N GLU 27.A OE2 no hydrogen 2.991 N/A GLU 25.A N GLY 64.A O no hydrogen 2.980 N/A GLU 27.A N GLU 24.A O no hydrogen 3.124 N/A LEU 28.A N GLU 25.A O no hydrogen 3.398 N/A PHE 31.A N GLU 27.A O no hydrogen 2.801 N/A PHE 32.A N LEU 28.A O no hydrogen 3.101 N/A LEU 33.A N ASP 29.A O no hydrogen 2.937 N/A HIS 34.A N ALA 30.A O no hydrogen 2.955 N/A MET 35.A N PHE 31.A O no hydrogen 2.718 N/A LEU 36.A N PHE 32.A O no hydrogen 2.741 N/A MET 37.A N LEU 33.A O no hydrogen 2.973 N/A LYS 38.A N HIS 34.A O no hydrogen 3.047 N/A LYS 38.A NZ GLN 10.A OE1 no hydrogen 2.495 N/A LEU 39.A N MET 35.A O no hydrogen 3.022 N/A GLY 40.A N MET 37.A O no hydrogen 3.301 N/A THR 41.A OG1 LEU 36.A O no hydrogen 2.836 N/A VAL 45.A N ASP 42.A O no hydrogen 2.815 N/A MET 46.A N ASP 43.A O no hydrogen 3.200 N/A ASN 49.A N VAL 45.A O no hydrogen 2.884 N/A LEU 50.A N MET 46.A O no hydrogen 2.955 N/A HIS 51.A N LYS 47.A O no hydrogen 3.082 N/A LYS 52.A N ALA 48.A O no hydrogen 2.994 N/A LYS 52.A NZ GLN 55.A OE1 no hydrogen 2.961 N/A VAL 53.A N ASN 49.A O no hydrogen 2.947 N/A LYS 54.A N LEU 50.A O no hydrogen 3.001 N/A LYS 54.A NZ ASP 29.A OD1 no hydrogen 3.487 N/A LYS 54.A NZ ASP 29.A OD2 no hydrogen 3.456 N/A GLN 55.A N HIS 51.A O no hydrogen 3.018 N/A GLN 56.A N LYS 52.A O no hydrogen 3.115 N/A PHE 57.A N VAL 53.A O no hydrogen 2.805 N/A MET 58.A N LYS 54.A O no hydrogen 3.155 N/A MET 58.A N GLN 55.A O no hydrogen 3.194 N/A THR 59.A N GLN 55.A O no hydrogen 3.450 N/A THR 59.A OG1 GLN 56.A O no hydrogen 2.630 N/A THR 60.A N PHE 57.A O no hydrogen 3.308 N/A THR 60.A OG1 PHE 57.A O no hydrogen 2.887 N/A SER 61.A OG ASP 63.A OD2 no hydrogen 3.075 N/A LYS 62.A N SER 61.A OG no hydrogen 2.327 N/A LYS 62.A NZ LYS 62.A O no hydrogen 3.013 N/A ASP 63.A N SER 61.A OG no hydrogen 3.156 N/A ILE 66.A N ILE 23.A O no hydrogen 3.079 N/A ARG 67.A NH1 ASP 63.A OD2 no hydrogen 3.349 N/A ARG 67.A NH2 ASP 63.A OD1 no hydrogen 2.663 N/A MET 68.A N GLY 21.A O no hydrogen 3.187 N/A GLU 70.A N ARG 67.A O no hydrogen 3.198 N/A LEU 71.A N MET 68.A O no hydrogen 3.101 N/A ALA 72.A N MET 68.A O no hydrogen 2.965 N/A GLY 73.A N LYS 69.A O no hydrogen 3.111 N/A MET 74.A N LEU 71.A O no hydrogen 3.246 N/A PHE 75.A N ALA 72.A O no hydrogen 3.411 N/A LEU 76.A N ALA 72.A O no hydrogen 3.137 N/A SER 77.A OG GLU 80.A OE2 no hydrogen 3.555 N/A ASN 81.A N SER 77.A O no hydrogen 2.883 N/A ASN 81.A ND2 ALA 72.A O no hydrogen 2.741 N/A ASN 81.A ND2 SER 77.A O no hydrogen 3.175 N/A PHE 82.A N GLU 78.A O no hydrogen 3.056 N/A LEU 83.A N ASP 79.A O no hydrogen 2.855 N/A LEU 84.A N GLU 80.A O no hydrogen 3.309 N/A LEU 85.A N ASN 81.A O no hydrogen 2.793 N/A PHE 86.A N PHE 82.A O no hydrogen 2.936 N/A ARG 87.A NH1 ASN 90.A O no hydrogen 2.875 N/A ARG 88.A NE GLU 19.A OE1 no hydrogen 3.248 N/A GLU 89.A N LEU 85.A O no hydrogen 2.871 N/A ASN 90.A N ARG 87.A O no hydrogen 2.704 N/A LEU 92.A N LEU 166.A O no hydrogen 3.376 N/A SER 95.A N TYR 196.A OH no hydrogen 2.824 N/A SER 95.A OG ASP 216.A OD2 no hydrogen 2.982 N/A GLU 97.A N SER 94.A OG no hydrogen 3.124 N/A PHE 98.A N SER 94.A O no hydrogen 3.010 N/A MET 99.A N SER 95.A O no hydrogen 3.120 N/A GLN 100.A N VAL 96.A O no hydrogen 3.009 N/A ILE 101.A N GLU 97.A O no hydrogen 3.232 N/A TRP 102.A N PHE 98.A O no hydrogen 2.937 N/A ARG 103.A N MET 99.A O no hydrogen 2.795 N/A ARG 103.A NE ASP 211.A OD2 no hydrogen 2.883 N/A ARG 103.A NH1 ASP 231.A OD1 no hydrogen 2.927 N/A ARG 103.A NH2 ASP 211.A OD1 no hydrogen 2.913 N/A ARG 103.A NH2 ASP 231.A OD1 no hydrogen 2.846 N/A LYS 104.A N GLN 100.A O no hydrogen 2.839 N/A LYS 104.A NZ TYR 105.A OH no hydrogen 3.560 N/A TYR 105.A N ILE 101.A O no hydrogen 3.005 N/A TYR 105.A OH ASP 124.A OD2 no hydrogen 2.654 N/A ASP 106.A N TRP 102.A O no hydrogen 3.074 N/A ALA 107.A N GLU 117.A OE2 no hydrogen 3.082 N/A SER 109.A N ASP 106.A O no hydrogen 2.858 N/A SER 110.A N ASP 106.A OD1 no hydrogen 2.971 N/A SER 110.A N ASP 108.A OD1 no hydrogen 2.898 N/A SER 110.A OG ASP 106.A OD1 no hydrogen 3.242 N/A SER 110.A OG ASP 108.A OD1 no hydrogen 3.175 N/A GLY 111.A N ASP 106.A OD2 no hydrogen 3.011 N/A PHE 112.A N SER 110.A OG no hydrogen 3.257 N/A ILE 113.A N LEU 157.A O no hydrogen 2.860 N/A SER 114.A N GLU 117.A OE1 no hydrogen 2.848 N/A SER 114.A OG GLU 117.A OE1 no hydrogen 3.410 N/A GLU 117.A N SER 114.A OG no hydrogen 3.115 N/A LEU 118.A N SER 114.A O no hydrogen 2.858 N/A ARG 119.A N ALA 115.A O no hydrogen 2.732 N/A ARG 119.A NH2 GLU 139.A OE2 no hydrogen 3.443 N/A ASN 120.A N ALA 116.A O no hydrogen 3.214 N/A PHE 121.A N GLU 117.A O no hydrogen 3.050 N/A LEU 122.A N LEU 118.A O no hydrogen 2.850 N/A ARG 123.A N ARG 119.A O no hydrogen 2.951 N/A ARG 123.A NH1 GLU 135.A OE1 no hydrogen 2.765 N/A ASP 124.A N ASN 120.A O no hydrogen 3.031 N/A LEU 125.A N PHE 121.A O no hydrogen 2.874 N/A PHE 126.A N LEU 122.A O no hydrogen 2.834 N/A LEU 127.A N ARG 123.A O no hydrogen 2.930 N/A HIS 128.A N ASP 124.A O no hydrogen 2.995 N/A HIS 129.A N LEU 125.A O no hydrogen 3.230 N/A HIS 129.A ND1 LEU 125.A O no hydrogen 3.091 N/A LYS 130.A N LEU 127.A O no hydrogen 2.861 N/A LYS 131.A N PHE 126.A O no hydrogen 2.934 N/A LYS 137.A N SER 134.A OG no hydrogen 3.071 N/A LYS 137.A NZ GLU 140.A OE1 no hydrogen 3.024 N/A LEU 138.A N SER 134.A O no hydrogen 2.788 N/A GLU 139.A N GLU 135.A O no hydrogen 2.973 N/A GLU 140.A N ALA 136.A O no hydrogen 3.060 N/A TYR 141.A N LYS 137.A O no hydrogen 2.887 N/A TYR 141.A OH ASP 79.A OD2 no hydrogen 2.949 N/A THR 142.A N LEU 138.A O no hydrogen 3.151 N/A THR 142.A OG1 LEU 138.A O no hydrogen 2.758 N/A GLY 143.A N GLU 139.A O no hydrogen 3.402 N/A THR 144.A N GLU 140.A O no hydrogen 3.039 N/A THR 144.A OG1 GLU 140.A O no hydrogen 3.194 N/A MET 145.A N TYR 141.A O no hydrogen 2.840 N/A MET 146.A N THR 142.A O no hydrogen 2.877 N/A LYS 147.A N GLY 143.A O no hydrogen 3.002 N/A ILE 148.A N THR 144.A O no hydrogen 3.125 N/A ILE 148.A N MET 145.A O no hydrogen 3.220 N/A PHE 149.A N MET 145.A O no hydrogen 2.950 N/A ASP 150.A N MET 146.A O no hydrogen 2.812 N/A LYS 153.A N ASP 150.A O no hydrogen 3.309 N/A GLY 155.A N ASP 150.A OD2 no hydrogen 2.887 N/A ARG 156.A N ASP 154.A OD1 no hydrogen 2.854 N/A LEU 157.A N ILE 113.A O no hydrogen 2.947 N/A ASP 158.A N ASP 161.A OD2 no hydrogen 2.565 N/A LEU 162.A N ASP 158.A O no hydrogen 2.911 N/A ALA 163.A N LEU 159.A O no hydrogen 3.040 N/A ARG 164.A N ASN 160.A O no hydrogen 2.915 N/A ARG 164.A NH2 PHE 149.A O no hydrogen 2.878 N/A ARG 164.A NH2 ASP 161.A OD1 no hydrogen 2.753 N/A ILE 165.A N ASP 161.A O no hydrogen 2.916 N/A LEU 166.A N LEU 162.A O no hydrogen 2.922 N/A ALA 167.A N ARG 164.A O no hydrogen 3.038 N/A LEU 168.A N ALA 163.A O no hydrogen 2.868 N/A GLN 169.A N LEU 92.A O no hydrogen 2.896 N/A ASN 171.A ND2 ASP 216.A O no hydrogen 2.931 N/A LEU 173.A N ASN 171.A OD1 no hydrogen 3.060 N/A LEU 174.A N ASN 171.A O no hydrogen 3.109 N/A GLN 175.A NE2 PHE 172.A O no hydrogen 2.845 N/A PHE 176.A N LEU 173.A O no hydrogen 3.179 N/A ALA 180.A N LYS 177.A O no hydrogen 3.375 N/A CYS 181.A SG ASP 179.A O no hydrogen 3.670 N/A SER 182.A N GLU 185.A OE2 no hydrogen 3.244 N/A SER 182.A OG GLU 185.A OE2 no hydrogen 2.760 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.845 N/A GLU 185.A N SER 182.A OG no hydrogen 3.091 N/A ARG 186.A N SER 182.A O no hydrogen 2.812 N/A ARG 186.A NH2 LEU 258.A O no hydrogen 2.892 N/A ARG 186.A NH2 GLY 259.A O no hydrogen 2.950 N/A LYS 187.A N THR 183.A O no hydrogen 2.966 N/A ARG 188.A N GLU 184.A O no hydrogen 2.724 N/A ARG 188.A NE ASP 189.A OD1 no hydrogen 2.783 N/A ARG 188.A NH2 ASP 189.A OD1 no hydrogen 2.960 N/A ARG 188.A NH2 ASP 189.A OD2 no hydrogen 3.118 N/A ASP 189.A N GLU 185.A O no hydrogen 2.890 N/A PHE 190.A N ARG 186.A O no hydrogen 2.695 N/A GLU 191.A N LYS 187.A O no hydrogen 2.810 N/A LYS 192.A N ARG 188.A O no hydrogen 3.003 N/A ILE 193.A N ASP 189.A O no hydrogen 2.889 N/A PHE 194.A N PHE 190.A O no hydrogen 2.920 N/A ALA 195.A N GLU 191.A O no hydrogen 3.011 N/A TYR 196.A N LYS 192.A O no hydrogen 3.154 N/A TYR 196.A OH ASP 93.A O no hydrogen 3.176 N/A TYR 197.A N ILE 193.A O no hydrogen 3.303 N/A TYR 197.A OH ASP 216.A OD2 no hydrogen 2.617 N/A ASP 198.A N PHE 194.A O no hydrogen 2.904 N/A VAL 199.A N TYR 197.A O no hydrogen 2.906 N/A SER 200.A N GLU 209.A OE2 no hydrogen 2.809 N/A SER 200.A OG GLU 209.A OE1 no hydrogen 3.375 N/A SER 200.A OG GLU 209.A OE2 no hydrogen 2.831 N/A LYS 201.A N ASP 198.A O no hydrogen 3.198 N/A THR 202.A N ASP 198.A OD2 no hydrogen 3.101 N/A THR 202.A OG1 GLU 206.A OE1 no hydrogen 2.990 N/A THR 202.A OG1 GLU 206.A OE2 no hydrogen 3.079 N/A GLY 203.A N ASP 198.A OD1 no hydrogen 2.834 N/A LEU 205.A N ILE 249.A O no hydrogen 2.757 N/A GLU 206.A N GLU 209.A OE1 no hydrogen 3.103 N/A GLU 209.A N GLU 206.A O no hydrogen 2.972 N/A ASP 211.A N GLY 207.A O no hydrogen 3.080 N/A GLY 212.A N PRO 208.A O no hydrogen 2.932 N/A PHE 213.A N GLU 209.A O no hydrogen 3.174 N/A VAL 214.A N VAL 210.A O no hydrogen 2.843 N/A LYS 215.A N ASP 211.A O no hydrogen 2.988 N/A LYS 215.A NZ GLU 219.A OE1 no hydrogen 2.680 N/A LYS 215.A NZ GLU 219.A OE2 no hydrogen 3.468 N/A ASP 216.A N GLY 212.A O no hydrogen 2.922 N/A MET 217.A N PHE 213.A O no hydrogen 2.808 N/A MET 218.A N VAL 214.A O no hydrogen 2.955 N/A GLU 219.A N LYS 215.A O no hydrogen 2.978 N/A LEU 220.A N MET 217.A O no hydrogen 3.231 N/A VAL 221.A N MET 218.A O no hydrogen 3.238 N/A GLN 222.A N MET 218.A O no hydrogen 3.099 N/A SER 224.A OG ASN 160.A OD1 no hydrogen 3.515 N/A ILE 225.A N GLU 219.A OE2 no hydrogen 2.815 N/A LEU 230.A N SER 226.A O no hydrogen 2.869 N/A ASP 231.A N GLY 227.A O no hydrogen 3.315 N/A LYS 232.A N VAL 228.A O no hydrogen 3.147 N/A PHE 233.A N ASP 229.A O no hydrogen 2.811 N/A ARG 234.A N LEU 230.A O no hydrogen 2.796 N/A ARG 234.A NE ASP 211.A OD1 no hydrogen 2.766 N/A ARG 234.A NH2 GLY 207.A O no hydrogen 3.335 N/A GLU 235.A N ASP 231.A O no hydrogen 3.244 N/A ILE 236.A N LYS 232.A O no hydrogen 3.073 N/A LEU 237.A N PHE 233.A O no hydrogen 2.842 N/A LEU 238.A N ARG 234.A O no hydrogen 3.064 N/A ARG 239.A N GLU 235.A O no hydrogen 3.000 N/A ARG 239.A NH1 GLU 235.A OE2 no hydrogen 2.841 N/A ARG 239.A NH2 GLU 235.A OE2 no hydrogen 2.802 N/A HIS 240.A N ILE 236.A O no hydrogen 3.030 N/A CYS 241.A N LEU 237.A O no hydrogen 2.934 N/A CYS 241.A SG LEU 237.A O no hydrogen 3.523 N/A ASP 242.A N LEU 238.A O no hydrogen 2.931 N/A VAL 243.A N CYS 241.A O no hydrogen 2.799 N/A ASN 244.A N GLU 253.A OE2 no hydrogen 2.947 N/A ASN 244.A ND2 ASP 246.A OD2 no hydrogen 3.070 N/A ASN 244.A ND2 GLN 250.A OE1 no hydrogen 3.508 N/A LYS 245.A N ASP 242.A O no hydrogen 2.877 N/A LYS 245.A NZ VAL 243.A O no hydrogen 3.349 N/A ASP 246.A N ASN 244.A OD1 no hydrogen 3.164 N/A GLY 247.A N ASP 242.A OD1 no hydrogen 2.639 N/A LYS 248.A N ASP 246.A OD1 no hydrogen 2.658 N/A ILE 249.A N LEU 205.A O no hydrogen 3.111 N/A GLN 250.A N GLN 250.A OE1 no hydrogen 3.003 N/A GLN 250.A N GLU 253.A OE1 no hydrogen 3.151 N/A GLN 250.A NE2 ASP 246.A OD2 no hydrogen 2.537 N/A LYS 251.A N GLY 203.A O no hydrogen 3.031 N/A LYS 251.A NZ GLU 191.A OE1 no hydrogen 2.744 N/A LYS 251.A NZ GLU 191.A OE2 no hydrogen 3.323 N/A LEU 254.A N GLN 250.A O no hydrogen 2.980 N/A ALA 255.A N LYS 251.A O no hydrogen 2.933 N/A LEU 256.A N SER 252.A O no hydrogen 3.100 N/A CYS 257.A N GLU 253.A O no hydrogen 3.096 N/A CYS 257.A SG LEU 254.A O no hydrogen 3.644 N/A LEU 258.A N LEU 254.A O no hydrogen 3.184 N/A LEU 258.A N ALA 255.A O no hydrogen 3.267 N/A GLY 259.A N LEU 256.A O no hydrogen 3.130 N/A LEU 260.A N ALA 255.A O no hydrogen 2.887 N/A ASN 263.A ND2 SER 252.A O no hydrogen 2.958 N/A