Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8a5j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ILE 18.A O no hydrogen 2.898 N/A LEU 6.A N LYS 16.A O no hydrogen 2.780 N/A GLU 7.A N GLU 7.A OE2 no hydrogen 2.890 N/A LYS 8.A NZ GLY 12.A O no hydrogen 2.938 N/A LEU 9.A N VAL 14.A O no hydrogen 2.829 N/A TYR 15.A N ILE 28.A O no hydrogen 2.908 N/A LYS 16.A N GLU 7.A O no hydrogen 2.894 N/A ALA 17.A N VAL 26.A O no hydrogen 2.926 N/A ILE 18.A N ASP 4.A O no hydrogen 2.979 N/A HIS 19.A N GLN 24.A O no hydrogen 2.878 N/A LYS 20.A N VAL 2.A O no hydrogen 3.045 N/A THR 22.A N HIS 19.A O no hydrogen 3.147 N/A GLY 23.A N HIS 19.A O no hydrogen 2.780 N/A GLN 24.A N THR 22.A OG1 no hydrogen 3.384 N/A VAL 26.A N ALA 17.A O no hydrogen 2.895 N/A ALA 27.A N MET 72.A O no hydrogen 2.917 N/A ILE 28.A N TYR 15.A O no hydrogen 2.831 N/A LYS 29.A N ILE 70.A O no hydrogen 2.867 N/A LYS 29.A NZ GLU 43.A OE1 no hydrogen 2.660 N/A GLN 30.A N SER 13.A O no hydrogen 2.886 N/A GLN 30.A NE2 ASP 67.A OD2 no hydrogen 2.546 N/A VAL 31.A N LEU 68.A O no hydrogen 2.876 N/A SER 35.A N PRO 32.A O no hydrogen 2.820 N/A SER 35.A OG PRO 32.A O no hydrogen 2.727 N/A GLN 38.A N ASP 36.A OD1 no hydrogen 3.080 N/A GLU 39.A N ASP 36.A O no hydrogen 3.097 N/A ILE 40.A N ASP 36.A O no hydrogen 3.250 N/A ILE 41.A N LEU 37.A O no hydrogen 3.186 N/A LYS 42.A N GLN 38.A O no hydrogen 3.248 N/A LYS 42.A NZ GLU 39.A OE1 no hydrogen 3.080 N/A LYS 42.A NZ GLU 39.A OE2 no hydrogen 3.252 N/A GLU 43.A N GLU 39.A O no hydrogen 3.045 N/A ILE 44.A N ILE 40.A O no hydrogen 2.978 N/A SER 45.A N ILE 41.A O no hydrogen 2.861 N/A SER 45.A OG ILE 41.A O no hydrogen 2.821 N/A ILE 46.A N LYS 42.A O no hydrogen 2.898 N/A MET 47.A N GLU 43.A O no hydrogen 3.140 N/A GLN 48.A N ILE 44.A O no hydrogen 2.909 N/A GLN 49.A N SER 45.A O no hydrogen 2.907 N/A CYS 50.A N MET 47.A O no hydrogen 3.395 N/A CYS 50.A SG ILE 46.A O no hydrogen 3.286 N/A ASP 51.A N TYR 109.A OH no hydrogen 2.825 N/A HIS 54.A N SER 52.A OG no hydrogen 3.184 N/A VAL 55.A N SER 52.A O no hydrogen 3.227 N/A VAL 56.A N LEU 135.A O no hydrogen 3.071 N/A LYS 57.A N GLU 73.A OE1 no hydrogen 3.160 N/A LYS 57.A NZ ASP 51.A OD1 no hydrogen 3.153 N/A TYR 58.A OH SER 61.A OG no hydrogen 2.582 N/A TYR 59.A N VAL 71.A O no hydrogen 2.803 N/A GLY 60.A N VAL 71.A O no hydrogen 3.461 N/A SER 61.A OG TYR 58.A OH no hydrogen 2.582 N/A TYR 62.A N TRP 69.A O no hydrogen 2.989 N/A LYS 64.A N ASP 67.A O no hydrogen 2.953 N/A LYS 64.A NZ ASN 65.A OD1 no hydrogen 3.380 N/A THR 66.A OG1 ASN 65.A O no hydrogen 2.584 N/A ASP 67.A N LYS 64.A O no hydrogen 3.062 N/A TRP 69.A N TYR 62.A O no hydrogen 2.820 N/A ILE 70.A N LYS 29.A O no hydrogen 2.864 N/A VAL 71.A N GLY 60.A O no hydrogen 2.829 N/A MET 72.A N ALA 27.A O no hydrogen 2.765 N/A GLU 73.A N LYS 57.A O no hydrogen 2.884 N/A ALA 77.A N LEU 127.A O no hydrogen 2.918 N/A GLY 78.A N CYS 75.A O no hydrogen 3.227 N/A SER 79.A N ASP 82.A OD2 no hydrogen 3.300 N/A SER 79.A OG SER 81.A OG no hydrogen 3.050 N/A VAL 80.A N ILE 125.A O no hydrogen 2.943 N/A SER 81.A N ALA 122.A O no hydrogen 3.379 N/A SER 81.A OG SER 79.A OG no hydrogen 3.050 N/A ASP 82.A N SER 79.A OG no hydrogen 3.095 N/A ILE 83.A N SER 79.A O no hydrogen 3.107 N/A ILE 84.A N VAL 80.A O no hydrogen 3.008 N/A ARG 85.A N SER 81.A O no hydrogen 2.924 N/A LEU 86.A N ASP 82.A O no hydrogen 2.817 N/A ARG 87.A N ILE 83.A O no hydrogen 3.231 N/A ARG 87.A NE GLU 264.A OE2 no hydrogen 3.191 N/A ARG 87.A NH2 GLU 264.A OE2 no hydrogen 2.917 N/A ASN 88.A N ARG 85.A O no hydrogen 3.347 N/A LYS 89.A N ILE 84.A O no hydrogen 3.266 N/A LYS 89.A NZ GLU 264.A OE2 no hydrogen 3.520 N/A THR 90.A OG1 ALA 186.A O no hydrogen 3.357 N/A LEU 91.A N MET 185.A O no hydrogen 3.033 N/A THR 92.A N GLU 95.A OE1 no hydrogen 2.969 N/A GLU 95.A N THR 92.A OG1 no hydrogen 3.182 N/A ILE 96.A N THR 92.A O no hydrogen 2.979 N/A ALA 97.A N GLU 93.A O no hydrogen 2.881 N/A THR 98.A N ASP 94.A O no hydrogen 3.174 N/A THR 98.A OG1 ASP 94.A O no hydrogen 3.185 N/A THR 98.A OG1 LYS 253.A O no hydrogen 2.749 N/A ILE 99.A N GLU 95.A O no hydrogen 3.095 N/A LEU 100.A N ILE 96.A O no hydrogen 2.854 N/A GLN 101.A N ALA 97.A O no hydrogen 3.042 N/A SER 102.A N THR 98.A O no hydrogen 3.364 N/A THR 103.A N ILE 99.A O no hydrogen 2.923 N/A THR 103.A OG1 ILE 99.A O no hydrogen 2.797 N/A LEU 104.A N LEU 100.A O no hydrogen 2.751 N/A LYS 105.A N GLN 101.A O no hydrogen 3.159 N/A GLY 106.A N SER 102.A O no hydrogen 3.179 N/A LEU 107.A N THR 103.A O no hydrogen 2.873 N/A GLU 108.A N LEU 104.A O no hydrogen 2.814 N/A TYR 109.A N LYS 105.A O no hydrogen 3.057 N/A LEU 110.A N GLY 106.A O no hydrogen 2.957 N/A HIS 111.A N LEU 107.A O no hydrogen 2.833 N/A HIS 111.A NE2 ASP 174.A OD2 no hydrogen 2.838 N/A PHE 112.A N GLU 108.A O no hydrogen 3.013 N/A MET 113.A N TYR 109.A O no hydrogen 3.097 N/A ARG 114.A N HIS 111.A O no hydrogen 2.996 N/A ARG 114.A NH1 ASP 146.A OD1 no hydrogen 2.811 N/A ARG 114.A NH2 ASP 146.A OD1 no hydrogen 3.351 N/A LYS 115.A N LEU 110.A O no hydrogen 2.897 N/A LYS 115.A NZ GLN 49.A OE1 no hydrogen 2.834 N/A ILE 116.A N GLY 142.A O no hydrogen 2.908 N/A HIS 117.A N ASP 174.A OD2 no hydrogen 2.841 N/A HIS 117.A NE2 ALA 136.A O no hydrogen 2.763 N/A ARG 118.A N ASP 174.A OD1 no hydrogen 2.909 N/A ARG 118.A NE VAL 140.A O no hydrogen 2.736 N/A ARG 118.A NH1 VAL 140.A O no hydrogen 2.969 N/A ARG 118.A NH2 TYR 169.A OH no hydrogen 2.834 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 3.128 N/A ALA 122.A N GLU 184.A OE1 no hydrogen 3.068 N/A ASN 124.A N LYS 121.A O no hydrogen 2.927 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.858 N/A ILE 125.A N ALA 122.A O no hydrogen 3.309 N/A LEU 126.A N LYS 134.A O no hydrogen 2.946 N/A LEU 127.A N GLY 78.A O no hydrogen 2.876 N/A ASN 128.A N HIS 132.A O no hydrogen 3.026 N/A GLY 131.A N ASN 128.A O no hydrogen 2.883 N/A HIS 132.A N ASN 128.A OD1 no hydrogen 2.802 N/A LYS 134.A N LEU 126.A O no hydrogen 2.714 N/A LYS 134.A NZ PRO 53.A O no hydrogen 2.921 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 2.741 N/A LEU 135.A N HIS 54.A O no hydrogen 2.860 N/A ALA 136.A N ASN 124.A O no hydrogen 2.982 N/A GLY 139.A N ASP 137.A OD1 no hydrogen 3.208 N/A ALA 141.A N PHE 138.A O no hydrogen 3.229 N/A GLY 142.A N ILE 116.A O no hydrogen 2.816 N/A LEU 144.A N ARG 114.A O no hydrogen 2.844 N/A THR 145.A N MET 147.A O no hydrogen 2.985 N/A ARG 150.A N TYR 169.A O no hydrogen 2.863 N/A ARG 150.A NH1 GLN 143.A O no hydrogen 2.799 N/A ASN 151.A ND2 GLU 166.A O no hydrogen 3.514 N/A THR 155.A OG1.A ASP 119.A OD1 no hydrogen 2.680 N/A THR 155.A OG1.B ASP 119.A OD1 no hydrogen 2.680 N/A TRP 158.A N THR 155.A O no hydrogen 2.950 N/A TRP 158.A NE1 GLU 184.A OE1 no hydrogen 2.771 N/A MET 159.A N PRO 156.A O no hydrogen 3.242 N/A GLU 162.A N GLU 162.A OE2 no hydrogen 2.872 N/A VAL 163.A N ALA 160.A O no hydrogen 3.111 N/A ILE 164.A N ALA 160.A O no hydrogen 3.472 N/A GLN 165.A N PRO 161.A O no hydrogen 2.952 N/A TYR 169.A N ARG 150.A O no hydrogen 2.943 N/A CYS 171.A SG HIS 111.A O no hydrogen 4.020 N/A CYS 171.A SG LYS 115.A O no hydrogen 3.405 N/A VAL 172.A N ASN 170.A OD1 no hydrogen 3.410 N/A ALA 173.A N ASN 170.A O no hydrogen 3.213 N/A ASP 174.A N CYS 171.A O no hydrogen 3.032 N/A ILE 175.A N VAL 172.A O no hydrogen 3.035 N/A TRP 176.A N VAL 172.A O no hydrogen 3.446 N/A SER 177.A N ALA 173.A O no hydrogen 3.276 N/A SER 177.A OG TRP 158.A O no hydrogen 2.706 N/A SER 177.A OG ALA 173.A O no hydrogen 3.443 N/A LEU 178.A N ASP 174.A O no hydrogen 2.917 N/A GLY 179.A N ILE 175.A O no hydrogen 3.096 N/A ILE 180.A N TRP 176.A O no hydrogen 3.141 N/A THR 181.A N SER 177.A O no hydrogen 2.982 N/A THR 181.A OG1 SER 177.A O no hydrogen 2.644 N/A ALA 182.A N LEU 178.A O no hydrogen 2.979 N/A ILE 183.A N GLY 179.A O no hydrogen 3.275 N/A GLU 184.A N ILE 180.A O no hydrogen 2.814 N/A MET 185.A N THR 181.A O no hydrogen 2.896 N/A ALA 186.A N ALA 182.A O no hydrogen 3.160 N/A GLU 187.A N ILE 183.A O no hydrogen 2.845 N/A GLY 188.A N GLU 184.A O no hydrogen 2.814 N/A LYS 189.A NZ ASP 194.A OD1 no hydrogen 3.320 N/A LYS 189.A NZ ASP 194.A OD2 no hydrogen 3.105 N/A ALA 193.A N PRO 190.A O no hydrogen 3.249 N/A ILE 195.A N TYR 192.A O no hydrogen 3.167 N/A ARG 199.A N HIS 196.A O no hydrogen 2.914 N/A ALA 200.A N HIS 196.A O no hydrogen 3.032 N/A ILE 201.A N PRO 197.A O no hydrogen 3.045 N/A MET 203.A N ARG 199.A O no hydrogen 3.160 N/A ILE 204.A N ALA 200.A O no hydrogen 2.986 N/A THR 206.A N MET 203.A O no hydrogen 2.998 N/A THR 206.A OG1 MET 203.A O no hydrogen 3.235 N/A ASN 207.A N MET 203.A O no hydrogen 2.824 N/A ASN 207.A ND2 TYR 192.A OH no hydrogen 2.856 N/A ARG 213.A N GLU 187.A OE2 no hydrogen 2.792 N/A ARG 213.A NH1 GLU 187.A OE1 no hydrogen 2.732 N/A ARG 213.A NH1 LYS 189.A O no hydrogen 3.192 N/A ARG 213.A NH2 PRO 190.A O no hydrogen 3.142 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.942 N/A LEU 217.A N LYS 214.A O no hydrogen 3.154 N/A TRP 218.A N PRO 215.A O no hydrogen 3.193 N/A SER 219.A N GLU 93.A OE1 no hydrogen 2.973 N/A SER 219.A OG GLU 93.A OE2 no hydrogen 2.611 N/A PHE 222.A N SER 219.A OG no hydrogen 3.321 N/A THR 223.A N SER 219.A O no hydrogen 3.148 N/A THR 223.A OG1 ASP 220.A O no hydrogen 3.225 N/A ASP 224.A N ASP 220.A O no hydrogen 2.948 N/A PHE 225.A N ASN 221.A O no hydrogen 2.972 N/A VAL 226.A N PHE 222.A O no hydrogen 3.148 N/A LYS 227.A N THR 223.A O no hydrogen 3.038 N/A GLN 228.A N ASP 224.A O no hydrogen 2.961 N/A CYS 229.A N PHE 225.A O no hydrogen 3.137 N/A CYS 229.A SG PHE 225.A O no hydrogen 3.493 N/A LEU 230.A N VAL 226.A O no hydrogen 2.950 N/A LYS 232.A NZ PRO 205.A O no hydrogen 2.810 N/A LYS 232.A NZ ASN 207.A O no hydrogen 2.934 N/A SER 233.A OG GLU 235.A OE1 no hydrogen 3.253 N/A GLN 236.A N SER 233.A OG no hydrogen 3.350 N/A ARG 237.A N SER 233.A O no hydrogen 3.043 N/A ARG 237.A N PRO 234.A O no hydrogen 3.307 N/A ARG 237.A NE VAL 172.A O no hydrogen 3.117 N/A ARG 237.A NH1 VAL 231.A O no hydrogen 2.624 N/A ARG 237.A NH1 LYS 232.A O no hydrogen 3.516 N/A ARG 237.A NH2 GLU 162.A OE1 no hydrogen 2.539 N/A ARG 237.A NH2 GLU 162.A OE2 no hydrogen 3.252 N/A ARG 237.A NH2 VAL 172.A O no hydrogen 3.001 N/A THR 239.A N GLN 242.A OE1 no hydrogen 3.075 N/A THR 241.A OG1 GLU 108.A OE2 no hydrogen 2.624 N/A GLN 242.A N THR 239.A OG1 no hydrogen 3.234 N/A LEU 243.A N THR 239.A O no hydrogen 2.959 N/A LEU 244.A N ALA 240.A O no hydrogen 2.992 N/A GLN 245.A N GLN 242.A O no hydrogen 3.139 N/A HIS 246.A N LEU 243.A O no hydrogen 3.113 N/A HIS 246.A NE2 ASP 224.A OD2 no hydrogen 2.716 N/A PHE 248.A N HIS 246.A ND1 no hydrogen 3.094 N/A VAL 249.A N HIS 246.A O no hydrogen 2.926 N/A ARG 250.A N HIS 246.A O no hydrogen 2.835 N/A ARG 250.A NH1 GLN 245.A O no hydrogen 2.952 N/A SER 251.A N PRO 247.A O no hydrogen 3.313 N/A SER 251.A OG PRO 247.A O no hydrogen 2.902 N/A SER 251.A OG PHE 248.A O no hydrogen 3.481 N/A ALA 252.A N VAL 249.A O no hydrogen 3.051 N/A LYS 253.A NZ ASP 94.A OD1 no hydrogen 3.261 N/A LYS 253.A NZ ASP 94.A OD2 no hydrogen 2.817 N/A ILE 257.A N GLY 254.A O no hydrogen 3.377 N/A LEU 258.A N VAL 255.A O no hydrogen 2.999 N/A ARG 259.A N SER 256.A O no hydrogen 3.220 N/A ILE 262.A N LEU 258.A O no hydrogen 2.969 N/A ASN 263.A N ARG 259.A O no hydrogen 2.880 N/A GLU 264.A N ASP 260.A O no hydrogen 2.938 N/A ALA 265.A N LEU 261.A O no hydrogen 3.196 N/A MET 266.A N ILE 262.A O no hydrogen 2.992 N/A ASP 267.A N ASN 263.A O no hydrogen 2.946 N/A VAL 268.A N GLU 264.A O no hydrogen 3.173 N/A LYS 269.A N ALA 265.A O no hydrogen 3.142 N/A LYS 269.A NZ GLY 10.A O no hydrogen 3.440 N/A LEU 270.A N MET 266.A O no hydrogen 2.941 N/A LYS 271.A N ASP 267.A O no hydrogen 3.001 N/A LYS 271.A NZ ASP 267.A OD2 no hydrogen 3.502 N/A ARG 272.A N VAL 268.A O no hydrogen 2.968 N/A ARG 272.A NH1 GLU 11.A OE2 no hydrogen 2.657 N/A GLN 273.A N LYS 269.A O no hydrogen 2.985 N/A GLU 274.A N LEU 270.A O no hydrogen 2.904 N/A SER 275.A N LYS 271.A O no hydrogen 3.187 N/A SER 275.A OG LYS 271.A O no hydrogen 3.520 N/A SER 275.A OG ARG 272.A O no hydrogen 2.910 N/A GLN 276.A N ARG 272.A O no hydrogen 3.360 N/A GLN 277.A N GLU 274.A O no hydrogen 3.297 N/A