Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kfa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N SER 2.A O no hydrogen 3.071 N/A TRP 8.A N ASP 6.A OD2 no hydrogen 2.998 N/A GLU 9.A N ASP 6.A O no hydrogen 3.155 N/A MET 10.A N VAL 77.A O no hydrogen 2.801 N/A GLU 11.A N ASP 14.A OD2 no hydrogen 3.242 N/A ARG 12.A NH1 GLU 81.A OE2 no hydrogen 3.000 N/A ARG 12.A NH2 GLU 81.A OE2 no hydrogen 3.475 N/A ASP 14.A N GLU 11.A O no hydrogen 2.879 N/A ILE 15.A N ARG 12.A O no hydrogen 3.036 N/A THR 16.A N VAL 33.A O no hydrogen 2.856 N/A LYS 18.A N GLU 31.A O no hydrogen 2.749 N/A LYS 20.A NZ GLU 28.A OE2 no hydrogen 2.784 N/A LEU 21.A N VAL 29.A O no hydrogen 2.768 N/A GLN 25.A N GLY 22.A O no hydrogen 3.149 N/A TYR 26.A OH ARG 140.A O no hydrogen 2.698 N/A GLY 27.A N GLY 24.A O no hydrogen 3.098 N/A VAL 29.A N GLY 27.A O no hydrogen 2.976 N/A TYR 30.A N VAL 43.A O no hydrogen 2.790 N/A TYR 30.A OH GLU 28.A OE1 no hydrogen 2.655 N/A GLU 31.A N HIS 19.A O no hydrogen 2.896 N/A GLY 32.A N VAL 41.A O no hydrogen 2.915 N/A VAL 33.A N THR 16.A O no hydrogen 2.891 N/A TRP 34.A N LEU 39.A O no hydrogen 2.799 N/A LYS 35.A N ASP 14.A O no hydrogen 2.999 N/A LYS 35.A NZ THR 13.A O no hydrogen 2.906 N/A LYS 36.A NZ TYR 37.A OH no hydrogen 3.515 N/A TYR 37.A N TRP 34.A O no hydrogen 3.098 N/A SER 38.A N LYS 35.A O no hydrogen 3.192 N/A LEU 39.A N TRP 34.A O no hydrogen 3.313 N/A VAL 41.A N GLY 32.A O no hydrogen 2.818 N/A ALA 42.A N THR 88.A O no hydrogen 2.958 N/A VAL 43.A N TYR 30.A O no hydrogen 2.851 N/A LYS 44.A N ILE 86.A O no hydrogen 2.866 N/A LYS 44.A NZ GLU 59.A OE1 no hydrogen 2.717 N/A THR 45.A N GLU 28.A O no hydrogen 2.941 N/A LEU 46.A N PHE 84.A O no hydrogen 2.902 N/A THR 50.A OG1 GLU 52.A OE2 no hydrogen 2.935 N/A GLU 52.A N THR 50.A OG1 no hydrogen 3.155 N/A VAL 53.A N THR 50.A O no hydrogen 2.966 N/A GLU 54.A N MET 51.A O no hydrogen 3.103 N/A PHE 56.A N GLU 52.A O no hydrogen 3.197 N/A LEU 57.A N VAL 53.A O no hydrogen 2.879 N/A LYS 58.A N GLU 54.A O no hydrogen 2.956 N/A GLU 59.A N GLU 55.A O no hydrogen 2.886 N/A ALA 60.A N PHE 56.A O no hydrogen 3.049 N/A ALA 61.A N LEU 57.A O no hydrogen 2.914 N/A VAL 62.A N LYS 58.A O no hydrogen 2.945 N/A MET 63.A N GLU 59.A O no hydrogen 2.973 N/A LYS 64.A N ALA 60.A O no hydrogen 2.987 N/A GLU 65.A N VAL 62.A O no hydrogen 2.905 N/A ILE 66.A N VAL 62.A O no hydrogen 3.112 N/A LYS 67.A N TYR 126.A OH no hydrogen 2.951 N/A ASN 70.A N HIS 68.A ND1 no hydrogen 2.871 N/A ASN 70.A ND2 GLN 119.A OE1 no hydrogen 3.288 N/A ASN 70.A ND2 VAL 150.A O no hydrogen 2.964 N/A LEU 71.A N HIS 68.A O no hydrogen 3.163 N/A VAL 72.A N VAL 152.A O no hydrogen 3.088 N/A GLN 73.A N GLU 89.A OE2 no hydrogen 2.907 N/A GLN 73.A NE2 LEU 74.A O no hydrogen 2.908 N/A LEU 75.A N ILE 87.A O no hydrogen 2.745 N/A GLY 76.A N ILE 87.A O no hydrogen 3.216 N/A VAL 77.A N TRP 8.A O no hydrogen 2.918 N/A CYS 78.A N TYR 85.A O no hydrogen 2.897 N/A CYS 78.A SG MET 10.A O no hydrogen 3.355 N/A THR 79.A N GLU 9.A OE1 no hydrogen 2.871 N/A THR 79.A OG1 GLU 9.A OE2 no hydrogen 2.535 N/A ARG 80.A NH2 ASN 4.A O no hydrogen 3.032 N/A PHE 84.A N LEU 46.A O no hydrogen 2.854 N/A TYR 85.A N CYS 78.A O no hydrogen 2.884 N/A ILE 86.A N LYS 44.A O no hydrogen 2.896 N/A ILE 87.A N GLY 76.A O no hydrogen 2.870 N/A THR 88.A N ALA 42.A O no hydrogen 2.874 N/A THR 88.A OG1 GLU 89.A O no hydrogen 2.847 N/A GLU 89.A N GLN 73.A O no hydrogen 2.980 N/A THR 92.A OG1 GLU 146.A OE1 no hydrogen 2.774 N/A TYR 93.A N VAL 144.A O no hydrogen 2.822 N/A GLY 94.A N MET 91.A O no hydrogen 3.306 N/A ASN 95.A ND2 ASP 98.A OD2 no hydrogen 2.927 N/A LEU 96.A N CYS 142.A O no hydrogen 2.842 N/A ASP 98.A N ASN 95.A OD1 no hydrogen 2.943 N/A TYR 99.A N ASN 95.A O no hydrogen 3.021 N/A LEU 100.A N LEU 96.A O no hydrogen 2.899 N/A ARG 101.A N LEU 97.A O no hydrogen 3.016 N/A ARG 101.A NE GLY 209.A O no hydrogen 2.726 N/A ARG 101.A NH2 GLY 209.A O no hydrogen 2.942 N/A GLU 102.A N TYR 99.A O no hydrogen 3.262 N/A CYS 103.A SG LEU 100.A O no hydrogen 3.397 N/A GLN 106.A N ASN 104.A OD1 no hydrogen 2.925 N/A GLU 107.A N ASN 104.A O no hydrogen 3.008 N/A VAL 108.A N ASN 104.A O no hydrogen 2.864 N/A LEU 113.A N SER 109.A O no hydrogen 3.031 N/A LEU 114.A N ALA 110.A O no hydrogen 3.180 N/A TYR 115.A N VAL 111.A O no hydrogen 2.882 N/A MET 116.A N VAL 112.A O no hydrogen 2.821 N/A ALA 117.A N LEU 113.A O no hydrogen 3.138 N/A THR 118.A N LEU 114.A O no hydrogen 2.863 N/A THR 118.A OG1 LEU 114.A O no hydrogen 2.792 N/A THR 118.A OG1 PHE 266.A O no hydrogen 3.299 N/A GLN 119.A N TYR 115.A O no hydrogen 2.990 N/A GLN 119.A NE2 TYR 115.A O no hydrogen 3.282 N/A GLN 119.A NE2 HIS 148.A O no hydrogen 2.983 N/A ILE 120.A N MET 116.A O no hydrogen 3.059 N/A SER 121.A N ALA 117.A O no hydrogen 2.883 N/A SER 121.A OG ALA 117.A O no hydrogen 3.102 N/A SER 121.A OG THR 118.A O no hydrogen 2.950 N/A SER 121.A OG HIS 263.A ND1 no hydrogen 3.366 N/A SER 122.A N THR 118.A O no hydrogen 2.940 N/A SER 122.A OG HIS 68.A NE2 no hydrogen 3.200 N/A ALA 123.A N GLN 119.A O no hydrogen 3.096 N/A MET 124.A N ILE 120.A O no hydrogen 2.922 N/A GLU 125.A N SER 121.A O no hydrogen 2.819 N/A TYR 126.A N SER 122.A O no hydrogen 3.123 N/A LEU 127.A N ALA 123.A O no hydrogen 2.909 N/A GLU 128.A N MET 124.A O no hydrogen 2.845 N/A LYS 129.A N GLU 125.A O no hydrogen 3.060 N/A LYS 130.A N TYR 126.A O no hydrogen 2.999 N/A LYS 130.A NZ GLU 65.A OE2 no hydrogen 2.819 N/A ASN 131.A N GLU 128.A O no hydrogen 3.102 N/A PHE 132.A N LEU 127.A O no hydrogen 2.998 N/A HIS 134.A N ASP 194.A OD2 no hydrogen 2.757 N/A HIS 134.A NE2 ALA 153.A O no hydrogen 2.845 N/A ARG 135.A N ASP 194.A OD1 no hydrogen 2.957 N/A ASP 136.A N HIS 134.A ND1 no hydrogen 3.006 N/A ALA 139.A N GLU 204.A OE2 no hydrogen 2.895 N/A ARG 140.A NE TYR 166.A OH no hydrogen 2.809 N/A ARG 140.A NH2 ASP 136.A OD1 no hydrogen 2.905 N/A ASN 141.A N ALA 138.A O no hydrogen 2.971 N/A ASN 141.A ND2 ASP 136.A O no hydrogen 2.894 N/A CYS 142.A N ALA 139.A O no hydrogen 3.056 N/A CYS 142.A SG ALA 138.A O no hydrogen 3.670 N/A LEU 143.A N LYS 151.A O no hydrogen 2.823 N/A VAL 144.A N GLY 94.A O no hydrogen 2.825 N/A GLY 145.A N LEU 149.A O no hydrogen 2.810 N/A LEU 149.A N GLU 146.A O no hydrogen 3.137 N/A VAL 150.A N GLN 119.A OE1 no hydrogen 2.950 N/A LYS 151.A N LEU 143.A O no hydrogen 2.872 N/A LYS 151.A NZ GLU 89.A OE1 no hydrogen 3.100 N/A LYS 151.A NZ GLU 89.A OE2 no hydrogen 2.811 N/A VAL 152.A N ASN 70.A O no hydrogen 2.818 N/A ALA 153.A N ASN 141.A O no hydrogen 2.889 N/A PHE 155.A N ASN 141.A OD1 no hydrogen 3.002 N/A GLY 156.A N ASP 154.A OD1 no hydrogen 3.083 N/A LEU 160.A N LEU 157.A O no hydrogen 2.934 N/A MET 161.A N LEU 157.A O no hydrogen 2.893 N/A THR 162.A OG1 GLN 25.A OE1 no hydrogen 3.263 N/A TYR 166.A OH ASP 136.A OD1 no hydrogen 3.313 N/A TYR 166.A OH ASP 136.A OD2 no hydrogen 2.527 N/A THR 167.A N PHE 174.A O no hydrogen 2.948 N/A HIS 169.A N ALA 172.A O no hydrogen 2.972 N/A ALA 172.A N HIS 169.A O no hydrogen 2.919 N/A PHE 174.A N THR 167.A O no hydrogen 2.933 N/A LYS 177.A NZ PRO 212.A O no hydrogen 3.173 N/A LYS 177.A NZ TYR 213.A O no hydrogen 3.109 N/A LYS 177.A NZ ILE 216.A O no hydrogen 2.956 N/A TRP 178.A N PRO 175.A O no hydrogen 2.908 N/A TRP 178.A NE1 GLU 204.A OE2 no hydrogen 2.913 N/A THR 179.A N ILE 176.A O no hydrogen 3.137 N/A THR 179.A OG1 PRO 175.A O no hydrogen 2.746 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.796 N/A SER 183.A N ALA 180.A O no hydrogen 2.967 N/A SER 183.A OG LYS 188.A O no hydrogen 2.764 N/A LEU 184.A N ALA 180.A O no hydrogen 3.022 N/A ALA 185.A N PRO 181.A O no hydrogen 2.843 N/A TYR 186.A N GLU 182.A O no hydrogen 2.936 N/A ASN 187.A N SER 183.A O no hydrogen 3.045 N/A LYS 188.A N GLU 182.A O no hydrogen 3.267 N/A SER 190.A N SER 193.A OG no hydrogen 2.865 N/A LYS 192.A NZ ARG 256.A O no hydrogen 2.884 N/A LYS 192.A NZ PRO 257.A O no hydrogen 3.143 N/A SER 193.A N SER 190.A OG no hydrogen 3.135 N/A SER 193.A OG SER 190.A O no hydrogen 2.940 N/A ASP 194.A N SER 190.A O no hydrogen 3.143 N/A VAL 195.A N ILE 191.A O no hydrogen 2.912 N/A TRP 196.A N LYS 192.A O no hydrogen 3.147 N/A ALA 197.A N SER 193.A O no hydrogen 3.101 N/A PHE 198.A N ASP 194.A O no hydrogen 2.838 N/A GLY 199.A N VAL 195.A O no hydrogen 3.088 N/A VAL 200.A N TRP 196.A O no hydrogen 3.236 N/A LEU 201.A N ALA 197.A O no hydrogen 2.862 N/A LEU 202.A N PHE 198.A O no hydrogen 2.788 N/A TRP 203.A N GLY 199.A O no hydrogen 3.193 N/A GLU 204.A N VAL 200.A O no hydrogen 2.874 N/A ILE 205.A N LEU 201.A O no hydrogen 2.898 N/A ALA 206.A N LEU 202.A O no hydrogen 2.903 N/A THR 207.A N TRP 203.A O no hydrogen 3.050 N/A THR 207.A OG1 TRP 203.A O no hydrogen 2.928 N/A THR 207.A OG1 GLU 204.A O no hydrogen 3.239 N/A TYR 208.A N ILE 205.A O no hydrogen 3.083 N/A TYR 208.A OH VAL 108.A O no hydrogen 2.714 N/A GLY 209.A N GLU 204.A O no hydrogen 2.762 N/A MET 210.A N THR 207.A OG1 no hydrogen 3.074 N/A ILE 216.A N TYR 213.A O no hydrogen 3.044 N/A GLN 220.A N ASP 217.A O no hydrogen 3.036 N/A VAL 221.A N LEU 218.A O no hydrogen 3.333 N/A LEU 224.A N GLN 220.A O no hydrogen 3.049 N/A LEU 225.A N VAL 221.A O no hydrogen 2.924 N/A GLU 226.A N TYR 222.A O no hydrogen 2.884 N/A LYS 227.A N GLU 223.A O no hydrogen 3.210 N/A LYS 227.A N LEU 224.A O no hydrogen 3.017 N/A ASP 228.A N LEU 225.A O no hydrogen 2.892 N/A TYR 229.A N LEU 224.A O no hydrogen 2.996 N/A ARG 230.A NE TRP 249.A O no hydrogen 2.871 N/A ARG 230.A NH1 LEU 225.A O no hydrogen 2.910 N/A ARG 230.A NH1 TYR 229.A O no hydrogen 2.835 N/A ARG 230.A NH2 TRP 249.A O no hydrogen 3.013 N/A ARG 233.A NH1 CYS 237.A O no hydrogen 2.868 N/A CYS 237.A N PRO 234.A O no hydrogen 2.996 N/A CYS 237.A SG PRO 238.A O no hydrogen 3.636 N/A TYR 242.A N PRO 238.A O no hydrogen 3.003 N/A TYR 242.A OH MET 231.A O no hydrogen 2.624 N/A GLU 243.A N GLU 239.A O no hydrogen 2.833 N/A LEU 244.A N LYS 240.A O no hydrogen 3.127 N/A MET 245.A N VAL 241.A O no hydrogen 2.968 N/A ARG 246.A N TYR 242.A O no hydrogen 2.909 N/A ARG 246.A NH1 TYR 242.A OH no hydrogen 2.933 N/A ALA 247.A N GLU 243.A O no hydrogen 2.935 N/A CYS 248.A N LEU 244.A O no hydrogen 2.954 N/A CYS 248.A SG LEU 244.A O no hydrogen 3.348 N/A TRP 249.A N MET 245.A O no hydrogen 3.053 N/A TRP 249.A N ARG 246.A O no hydrogen 3.213 N/A GLN 250.A N ALA 247.A O no hydrogen 3.230 N/A SER 254.A N ASN 252.A OD1 no hydrogen 3.056 N/A SER 254.A OG ASN 252.A OD1 no hydrogen 3.412 N/A ASP 255.A N ASN 252.A O no hydrogen 2.864 N/A ARG 256.A N PRO 253.A O no hydrogen 3.078 N/A ARG 256.A NE GLN 250.A O no hydrogen 2.841 N/A ARG 256.A NH1 GLU 182.A OE2 no hydrogen 2.828 N/A ARG 256.A NH1 LYS 192.A O no hydrogen 2.953 N/A ARG 256.A NH2 GLU 182.A OE1 no hydrogen 2.838 N/A ARG 256.A NH2 GLN 250.A O no hydrogen 3.153 N/A ARG 256.A NH2 TRP 251.A O no hydrogen 3.061 N/A SER 258.A N GLU 261.A OE2 no hydrogen 2.969 N/A PHE 259.A N GLU 128.A OE2 no hydrogen 2.806 N/A ALA 260.A N GLU 128.A OE1 no hydrogen 3.089 N/A GLU 261.A N SER 258.A OG no hydrogen 3.070 N/A ILE 262.A N SER 258.A O no hydrogen 2.955 N/A HIS 263.A N PHE 259.A O no hydrogen 2.807 N/A GLN 264.A N ALA 260.A O no hydrogen 3.111 N/A ALA 265.A N GLU 261.A O no hydrogen 3.061 N/A PHE 266.A N ILE 262.A O no hydrogen 2.954 N/A GLU 267.A N HIS 263.A O no hydrogen 2.805 N/A THR 268.A N GLN 264.A O no hydrogen 3.100 N/A THR 268.A OG1 GLN 264.A O no hydrogen 3.044 N/A MET 269.A N ALA 265.A O no hydrogen 3.079 N/A PHE 270.A N PHE 266.A O no hydrogen 2.778 N/A GLN 271.A N GLU 267.A O no hydrogen 2.953 N/A GLN 271.A NE2 GLU 267.A OE1 no hydrogen 2.693 N/A GLU 272.A N THR 268.A O no hydrogen 3.177 N/A SER 273.A N MET 269.A O no hydrogen 2.936 N/A SER 274.A N PHE 270.A O no hydrogen 2.825 N/A SER 274.A OG PHE 270.A O no hydrogen 2.932 N/A ILE 275.A N GLN 271.A O no hydrogen 3.121 N/A SER 276.A N GLU 272.A O no hydrogen 3.318 N/A SER 276.A OG GLU 272.A O no hydrogen 3.552 N/A ASP 277.A N SER 273.A O no hydrogen 2.888 N/A GLU 278.A N SER 274.A O no hydrogen 2.822 N/A VAL 279.A N ILE 275.A O no hydrogen 3.076 N/A GLU 280.A N SER 276.A O no hydrogen 3.003 N/A LYS 281.A N ASP 277.A O no hydrogen 2.887 N/A GLU 282.A N GLU 278.A O no hydrogen 3.025 N/A LEU 283.A N VAL 279.A O no hydrogen 3.028 N/A