Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kjp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH HIS 77.A NE2 no hydrogen 2.744 N/A THR 7.A N ASN 19.A O no hydrogen 2.983 N/A LEU 9.A N ASP 46.A OD2 no hydrogen 3.153 N/A GLN 11.A N PRO 8.A O no hydrogen 3.040 N/A GLY 15.A N ILE 81.A O no hydrogen 2.737 N/A THR 16.A OG1 LYS 13.A O no hydrogen 2.795 N/A VAL 18.A N LEU 79.A O no hydrogen 2.708 N/A VAL 20.A N PHE 76.A O no hydrogen 2.899 N/A TYR 21.A OH ASP 124.A OD1 no hydrogen 2.664 N/A GLY 22.A N VAL 74.A O no hydrogen 3.044 N/A VAL 23.A N VAL 45.A O no hydrogen 2.800 N/A VAL 24.A N ASP 72.A O no hydrogen 2.775 N/A LYS 25.A N THR 43.A O no hydrogen 2.847 N/A PHE 26.A N THR 43.A O no hydrogen 3.423 N/A LYS 28.A N VAL 41.A O no hydrogen 2.794 N/A LYS 28.A NZ THR 263.A OG1 no hydrogen 3.108 N/A TYR 31.A N CYS 39.A O no hydrogen 2.932 N/A SER 33.A N ASP 37.A O no hydrogen 2.991 N/A SER 33.A OG ASP 37.A O no hydrogen 2.747 N/A GLY 35.A N SER 33.A OG no hydrogen 3.051 N/A TYR 38.A N SER 58.A O no hydrogen 2.858 N/A CYS 39.A N TYR 31.A O no hydrogen 2.656 N/A CYS 39.A SG TYR 31.A OH no hydrogen 3.736 N/A CYS 39.A SG LEU 56.A O no hydrogen 3.971 N/A SER 40.A N LEU 56.A O no hydrogen 2.883 N/A SER 40.A OG LYS 28.A O no hydrogen 2.758 N/A VAL 42.A N CYS 54.A O no hydrogen 2.962 N/A THR 43.A N PHE 26.A O no hydrogen 2.822 N/A THR 43.A OG1 THR 53.A OG1 no hydrogen 2.892 N/A ILE 44.A N LEU 52.A O no hydrogen 2.920 N/A VAL 45.A N VAL 23.A O no hydrogen 3.015 N/A GLN 47.A N GLN 47.A OE1 no hydrogen 2.753 N/A THR 48.A N ASP 46.A OD1 no hydrogen 3.002 N/A THR 48.A OG1 ASP 46.A OD1 no hydrogen 2.710 N/A ASN 49.A N ASP 46.A O no hydrogen 2.890 N/A VAL 50.A N THR 48.A OG1 no hydrogen 3.341 N/A LYS 51.A NZ ASN 49.A O no hydrogen 2.779 N/A LEU 52.A N ILE 44.A O no hydrogen 2.864 N/A THR 53.A OG1 THR 43.A OG1 no hydrogen 2.892 N/A CYS 54.A N VAL 42.A O no hydrogen 2.685 N/A CYS 54.A SG LEU 52.A O no hydrogen 4.033 N/A LEU 55.A N GLY 90.A O no hydrogen 2.707 N/A LEU 56.A N SER 40.A O no hydrogen 2.935 N/A PHE 57.A N THR 92.A OG1 no hydrogen 2.932 N/A SER 58.A N TYR 38.A O no hydrogen 3.244 N/A SER 58.A OG ASN 60.A O no hydrogen 3.040 N/A ASN 60.A N SER 58.A OG no hydrogen 3.008 N/A ASN 60.A ND2 GLU 62.A OE2 no hydrogen 3.210 N/A ALA 63.A N ASN 60.A O no hydrogen 2.987 N/A LEU 64.A N TYR 61.A O no hydrogen 3.320 N/A TYR 68.A N ASP 72.A OD2 no hydrogen 2.813 N/A LYS 69.A N ASP 72.A OD2 no hydrogen 3.226 N/A LYS 69.A NZ ASP 278.A OD2 no hydrogen 2.869 N/A GLY 71.A N VAL 24.A O no hydrogen 2.790 N/A ASP 72.A N LYS 69.A O no hydrogen 3.207 N/A ILE 73.A N PHE 101.A O no hydrogen 2.853 N/A VAL 74.A N GLY 22.A O no hydrogen 2.903 N/A ARG 75.A N LEU 99.A O no hydrogen 2.908 N/A ARG 75.A NE ASP 124.A OD1 no hydrogen 3.220 N/A ARG 75.A NH1 ASN 119.A O no hydrogen 2.736 N/A ARG 75.A NH2 ASN 119.A O no hydrogen 2.443 N/A ARG 75.A NH2 ASP 124.A OD1 no hydrogen 2.826 N/A ARG 75.A NH2 ASP 124.A OD2 no hydrogen 2.612 N/A PHE 76.A N VAL 20.A O no hydrogen 2.717 N/A HIS 77.A N ALA 97.A O no hydrogen 2.751 N/A HIS 77.A NE2 TYR 6.A OH no hydrogen 2.744 N/A ARG 78.A NH1 GLY 95.A O no hydrogen 2.972 N/A LEU 79.A N VAL 18.A O no hydrogen 2.861 N/A LYS 80.A N ILE 91.A O no hydrogen 2.872 N/A ILE 81.A N THR 16.A O no hydrogen 2.746 N/A GLN 82.A N GLN 89.A O no hydrogen 2.977 N/A TYR 84.A N GLU 87.A O no hydrogen 2.540 N/A LYS 86.A NZ LYS 86.A O no hydrogen 3.011 N/A LYS 86.A NZ GLU 87.A OE2 no hydrogen 3.216 N/A GLU 87.A N TYR 84.A O no hydrogen 2.755 N/A GLN 89.A N GLN 82.A O no hydrogen 2.769 N/A GLY 90.A N THR 53.A O no hydrogen 2.887 N/A ILE 91.A N LYS 80.A O no hydrogen 2.898 N/A THR 92.A N LEU 55.A O no hydrogen 3.174 N/A THR 92.A OG1 PHE 57.A O no hydrogen 3.409 N/A PHE 96.A N SER 93.A O no hydrogen 3.008 N/A ALA 97.A N HIS 77.A O no hydrogen 3.096 N/A LEU 99.A N ARG 75.A O no hydrogen 3.008 N/A THR 100.A N ARG 112.A O no hydrogen 2.969 N/A PHE 101.A N ILE 73.A O no hydrogen 2.752 N/A ALA 107.A N THR 104.A O no hydrogen 3.082 N/A ARG 112.A N THR 100.A O no hydrogen 2.824 N/A ARG 112.A NE ILE 66.A O no hydrogen 3.242 N/A ARG 112.A NH2 ILE 66.A O no hydrogen 3.124 N/A THR 113.A OG1 SER 98.A O no hydrogen 2.778 N/A SER 114.A OG GLU 62.A O no hydrogen 2.891 N/A SER 115.A N THR 113.A OG1 no hydrogen 3.110 N/A THR 121.A N ASP 124.A OD2 no hydrogen 2.747 N/A THR 121.A OG1 ASP 124.A OD2 no hydrogen 3.502 N/A GLU 123.A N THR 121.A OG1 no hydrogen 3.120 N/A ASP 124.A N THR 121.A O no hydrogen 2.895 N/A HIS 125.A N THR 121.A O no hydrogen 3.328 N/A LYS 126.A N THR 122.A O no hydrogen 3.075 N/A MET 127.A N GLU 123.A O no hydrogen 3.103 N/A VAL 128.A N ASP 124.A O no hydrogen 2.876 N/A GLU 129.A N HIS 125.A O no hydrogen 2.905 N/A ALA 130.A N LYS 126.A O no hydrogen 2.916 N/A LEU 131.A N MET 127.A O no hydrogen 3.157 N/A ARG 132.A N VAL 128.A O no hydrogen 2.986 N/A ARG 132.A NE GLU 102.A O no hydrogen 2.962 N/A ARG 132.A NH1 ALA 107.A O no hydrogen 2.770 N/A ARG 132.A NH2 GLU 102.A O no hydrogen 2.789 N/A ARG 132.A NH2 PRO 108.A O no hydrogen 2.977 N/A VAL 133.A N GLU 129.A O no hydrogen 2.884 N/A TRP 134.A N ALA 130.A O no hydrogen 2.950 N/A ALA 135.A N LEU 131.A O no hydrogen 2.759 N/A SER 136.A N ARG 132.A O no hydrogen 2.963 N/A SER 136.A OG VAL 133.A O no hydrogen 2.718 N/A THR 137.A N TRP 134.A O no hydrogen 3.366 N/A THR 137.A OG1 HIS 138.A ND1 no hydrogen 3.317 N/A HIS 138.A N TRP 134.A O no hydrogen 3.170 N/A HIS 138.A ND1 TRP 134.A O no hydrogen 2.819 N/A LYS 146.A NZ ASP 179.A O no hydrogen 2.814 N/A LYS 146.A NZ ASP 285.A OD2 no hydrogen 2.837 N/A LEU 147.A N ASP 179.A OD2 no hydrogen 2.844 N/A CYS 148.A N THR 181.A OG1 no hydrogen 3.039 N/A CYS 148.A SG ASP 149.A OD2 no hydrogen 3.644 N/A ASP 149.A N LYS 146.A O no hydrogen 2.929 N/A VAL 150.A N LEU 147.A O no hydrogen 3.349 N/A GLN 154.A N THR 240.A OG1 no hydrogen 2.948 N/A PHE 156.A N LEU 238.A O no hydrogen 2.934 N/A LEU 158.A N ILE 235.A O no hydrogen 2.848 N/A CYS 160.A N LEU 233.A O no hydrogen 2.973 N/A GLN 161.A N TRP 178.A O no hydrogen 2.926 N/A GLN 161.A NE2 GLY 230.A O no hydrogen 3.051 N/A LEU 162.A N SER 231.A O no hydrogen 2.922 N/A LEU 163.A N LYS 176.A O no hydrogen 2.843 N/A GLY 164.A N LYS 176.A O no hydrogen 3.116 N/A LYS 165.A N GLU 198.A O no hydrogen 3.070 N/A LYS 165.A NZ ARG 225.A O no hydrogen 2.690 N/A LYS 165.A NZ LEU 227.A O no hydrogen 2.671 N/A ALA 166.A N LEU 174.A O no hydrogen 3.008 N/A SER 172.A N ASP 169.A OD1 no hydrogen 2.984 N/A SER 172.A OG ASP 169.A OD1 no hydrogen 2.756 N/A PHE 173.A N VAL 216.A O no hydrogen 2.922 N/A LEU 174.A N ALA 166.A O no hydrogen 2.966 N/A LEU 175.A N ILE 214.A O no hydrogen 2.871 N/A LYS 176.A N GLY 164.A O no hydrogen 2.866 N/A LYS 176.A NZ ASP 213.A OD1 no hydrogen 2.646 N/A LYS 176.A NZ ASP 213.A OD2 no hydrogen 3.531 N/A VAL 177.A N ILE 212.A O no hydrogen 3.132 N/A TRP 178.A N GLN 161.A O no hydrogen 3.119 N/A TRP 178.A NE1 GLN 161.A OE1 no hydrogen 2.923 N/A THR 181.A N ASP 179.A OD1 no hydrogen 2.924 N/A THR 181.A OG1 ASP 179.A OD1 no hydrogen 2.835 N/A THR 183.A OG1 PHE 185.A O no hydrogen 2.606 N/A SER 187.A OG TRP 188.A O no hydrogen 2.724 N/A TRP 188.A N LEU 255.A O no hydrogen 2.840 N/A TRP 188.A NE1 ASP 213.A O no hydrogen 2.798 N/A ARG 189.A NH1 THR 211.A O no hydrogen 3.470 N/A ARG 189.A NH1 THR 211.A OG1 no hydrogen 3.113 N/A ARG 189.A NH1 ASP 213.A OD1 no hydrogen 2.813 N/A ARG 189.A NH2 THR 211.A O no hydrogen 2.862 N/A ARG 189.A NH2 THR 211.A OG1 no hydrogen 3.378 N/A VAL 190.A N ASP 213.A OD2 no hydrogen 3.019 N/A GLU 198.A N LYS 165.A O no hydrogen 2.852 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 2.889 N/A HIS 203.A N ASP 200.A OD1 no hydrogen 3.209 N/A HIS 203.A NE2 ASN 290.A OD1 no hydrogen 3.293 N/A ILE 204.A N ASP 200.A O no hydrogen 2.960 N/A HIS 205.A N LEU 201.A O no hydrogen 2.840 N/A ARG 206.A N SER 202.A O no hydrogen 2.913 N/A LEU 207.A N HIS 203.A O no hydrogen 3.001 N/A GLN 208.A N HIS 205.A O no hydrogen 3.173 N/A LEU 210.A N LEU 207.A O no hydrogen 3.015 N/A THR 211.A N GLN 208.A O no hydrogen 3.190 N/A THR 211.A OG1 GLN 208.A O no hydrogen 3.421 N/A ILE 212.A N VAL 177.A O no hydrogen 2.985 N/A ASP 213.A N SER 187.A OG no hydrogen 3.047 N/A ILE 214.A N LEU 175.A O no hydrogen 2.824 N/A LEU 215.A N PHE 257.A O no hydrogen 3.097 N/A VAL 216.A N PHE 173.A O no hydrogen 2.865 N/A TYR 217.A N LEU 259.A O no hydrogen 3.143 N/A TYR 217.A OH HIS 258.A ND1 no hydrogen 2.662 N/A ASP 218.A N ALA 171.A O no hydrogen 2.967 N/A ASN 219.A ND2 GLY 262.A O no hydrogen 3.517 N/A HIS 220.A N TYR 217.A O no hydrogen 2.950 N/A HIS 220.A NE2 HIS 260.A O no hydrogen 2.832 N/A VAL 221.A N ASP 218.A O no hydrogen 3.038 N/A ALA 224.A N HIS 220.A O no hydrogen 2.946 N/A ARG 225.A N VAL 221.A O no hydrogen 2.784 N/A ARG 225.A NE GLU 167.A OE2 no hydrogen 2.563 N/A ARG 225.A NH2 GLU 167.A OE1 no hydrogen 3.054 N/A ARG 225.A NH2 GLU 167.A OE2 no hydrogen 3.323 N/A SER 226.A N HIS 222.A O no hydrogen 3.265 N/A SER 226.A N VAL 223.A O no hydrogen 3.066 N/A SER 226.A OG VAL 223.A O no hydrogen 2.739 N/A LEU 227.A N ALA 224.A O no hydrogen 3.139 N/A GLY 230.A N LEU 162.A O no hydrogen 2.737 N/A SER 231.A N LYS 228.A O no hydrogen 3.111 N/A SER 231.A OG LYS 228.A O no hydrogen 2.613 N/A LEU 233.A N CYS 160.A O no hydrogen 2.861 N/A ARG 234.A N ARG 270.A O no hydrogen 2.890 N/A ARG 234.A NE THR 159.A OG1 no hydrogen 2.974 N/A ARG 234.A NH1 TYR 68.A O no hydrogen 3.069 N/A ARG 234.A NH2 THR 159.A OG1 no hydrogen 2.894 N/A ARG 234.A NH2 ASP 278.A OD2 no hydrogen 2.836 N/A ILE 235.A N LEU 158.A O no hydrogen 2.886 N/A TYR 236.A N GLY 268.A O no hydrogen 2.847 N/A TYR 236.A OH TYR 68.A O no hydrogen 2.673 N/A SER 237.A N ASP 157.A OD1 no hydrogen 2.905 N/A LEU 238.A N PHE 156.A O no hydrogen 2.809 N/A HIS 239.A N HIS 258.A O no hydrogen 2.861 N/A THR 240.A N GLN 154.A O no hydrogen 2.920 N/A THR 240.A OG1 GLN 151.A O no hydrogen 2.809 N/A THR 240.A OG1 GLN 154.A O no hydrogen 3.290 N/A LYS 241.A N GLU 256.A O no hydrogen 2.991 N/A GLN 243.A N SER 254.A O no hydrogen 2.766 N/A GLN 243.A NE2 MET 245.A O no hydrogen 2.683 N/A ASN 246.A N GLN 250.A O no hydrogen 2.914 N/A ASN 246.A ND2 GLN 250.A OE1 no hydrogen 3.014 N/A GLU 248.A N ASN 246.A OD1 no hydrogen 2.873 N/A ASN 249.A N ASN 246.A O no hydrogen 2.924 N/A GLN 250.A N ASN 246.A OD1 no hydrogen 2.844 N/A MET 252.A N SER 244.A O no hydrogen 3.022 N/A SER 254.A N GLN 243.A O no hydrogen 3.101 N/A LEU 255.A N PRO 186.A O no hydrogen 2.892 N/A GLU 256.A N LYS 241.A O no hydrogen 2.803 N/A HIS 258.A N HIS 239.A O no hydrogen 2.893 N/A HIS 258.A ND1 TYR 217.A OH no hydrogen 2.662 N/A HIS 258.A NE2 GLU 256.A OE1 no hydrogen 2.778 N/A LEU 259.A N LEU 215.A O no hydrogen 2.981 N/A GLY 262.A N ASN 219.A OD1 no hydrogen 2.888 N/A GLY 266.A N THR 263.A O no hydrogen 3.134 N/A ARG 267.A N SER 264.A O no hydrogen 3.226 N/A ARG 267.A NE HIS 260.A O no hydrogen 2.945 N/A ARG 267.A NH2 GLY 261.A O no hydrogen 2.725 N/A GLY 268.A N TYR 236.A O no hydrogen 3.436 N/A ARG 270.A N ARG 234.A O no hydrogen 3.018 N/A LEU 272.A N PHE 232.A O no hydrogen 2.719 N/A ASN 276.A N PRO 273.A O no hydrogen 3.051 N/A ASP 278.A N ASN 276.A OD1 no hydrogen 2.697 N/A VAL 279.A N ASN 276.A O no hydrogen 2.946 N/A ASP 280.A N ASN 276.A O no hydrogen 3.281 N/A GLN 281.A N SER 277.A O no hydrogen 3.329 N/A GLN 281.A NE2 GLN 281.A O no hydrogen 3.015 N/A GLN 281.A NE2 ASP 285.A OD1 no hydrogen 3.418 N/A LEU 282.A N ASP 278.A O no hydrogen 3.070 N/A LYS 283.A N VAL 279.A O no hydrogen 2.882 N/A LYS 283.A NZ GLU 274.A OE1 no hydrogen 2.872 N/A ASP 285.A N GLN 281.A O no hydrogen 3.199 N/A LEU 286.A N LEU 282.A O no hydrogen 2.876 N/A GLU 287.A N LYS 283.A O no hydrogen 2.934 N/A SER 288.A N LYS 284.A O no hydrogen 2.968 N/A ALA 289.A N ASP 285.A O no hydrogen 2.930 N/A ASN 290.A N LEU 286.A O no hydrogen 2.777 N/A ASN 290.A ND2 LEU 286.A O no hydrogen 3.553 N/A LEU 291.A N GLU 287.A O no hydrogen 3.256 N/A THR 292.A N ALA 289.A O no hydrogen 2.942 N/A ALA 293.A N ALA 289.A O no hydrogen 3.001 N/A