Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pjk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 8.A N LEU 38.A O no hydrogen 3.162 N/A TYR 8.A OH VAL 55.A O no hydrogen 2.564 N/A LYS 10.A N VAL 36.A O no hydrogen 2.998 N/A LYS 10.A NZ THR 57.A OG1 no hydrogen 2.927 N/A ASN 12.A N ASP 11.A OD1 no hydrogen 2.780 N/A VAL 13.A N VAL 34.A O no hydrogen 3.034 N/A ARG 14.A NH2 GLU 31.A OE2 no hydrogen 3.001 N/A VAL 15.A N MET 32.A O no hydrogen 2.958 N/A LYS 17.A N TYR 30.A O no hydrogen 2.873 N/A LYS 17.A NZ ALA 68.A O no hydrogen 2.777 N/A LYS 17.A NZ ASN 71.A O no hydrogen 2.741 N/A HIS 19.A N THR 28.A O no hydrogen 2.861 N/A ASP 21.A N VAL 26.A O no hydrogen 2.983 N/A LYS 23.A N ASP 21.A OD2 no hydrogen 3.076 N/A GLY 25.A N ASP 21.A O no hydrogen 2.967 N/A VAL 26.A N THR 24.A OG1 no hydrogen 3.249 N/A GLN 27.A N PRO 117.A O no hydrogen 2.859 N/A THR 28.A N HIS 19.A O no hydrogen 2.921 N/A TYR 30.A N LYS 17.A O no hydrogen 2.874 N/A MET 32.A N VAL 15.A O no hydrogen 2.879 N/A THR 33.A N VAL 102.A O no hydrogen 2.901 N/A THR 33.A OG1 HIS 104.A NE2 no hydrogen 2.867 N/A VAL 34.A N VAL 13.A O no hydrogen 2.822 N/A CYS 35.A N ASN 100.A O no hydrogen 2.901 N/A CYS 35.A SG LYS 10.A O no hydrogen 3.670 N/A VAL 36.A N LYS 10.A O no hydrogen 2.962 N/A LEU 37.A N HIS 98.A O no hydrogen 2.867 N/A LEU 38.A N TYR 8.A O no hydrogen 2.763 N/A GLU 39.A N ALA 96.A O no hydrogen 2.949 N/A GLU 41.A N HIS 93.A O no hydrogen 2.803 N/A ILE 42.A N GLY 40.A O no hydrogen 2.882 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.784 N/A THR 44.A OG1 ASP 50.A OD2 no hydrogen 2.990 N/A SER 45.A N ILE 42.A O no hydrogen 3.030 N/A SER 45.A OG ILE 42.A O no hydrogen 2.754 N/A TYR 46.A N GLU 43.A O no hydrogen 2.964 N/A THR 47.A N GLU 43.A O no hydrogen 3.040 N/A THR 47.A OG1 GLU 43.A O no hydrogen 3.343 N/A LYS 48.A N THR 44.A O no hydrogen 2.913 N/A ASP 50.A N THR 44.A O no hydrogen 3.138 N/A SER 52.A N ASP 50.A OD1 no hydrogen 3.191 N/A SER 52.A OG ASP 50.A OD1 no hydrogen 2.698 N/A SER 52.A OG ASP 50.A OD2 no hydrogen 3.500 N/A ILE 54.A N ASN 51.A O no hydrogen 2.892 N/A ILE 60.A N ALA 56.A O no hydrogen 3.101 N/A LYS 61.A N THR 57.A O no hydrogen 2.980 N/A LYS 61.A NZ ASP 58.A OD1 no hydrogen 3.208 N/A ASN 62.A N ASP 58.A O no hydrogen 3.061 N/A THR 63.A N SER 59.A O no hydrogen 2.918 N/A THR 63.A OG1 SER 59.A O no hydrogen 2.816 N/A ILE 64.A N ILE 60.A O no hydrogen 3.019 N/A TYR 65.A N LYS 61.A O no hydrogen 3.290 N/A ILE 66.A N ASN 62.A O no hydrogen 2.940 N/A THR 67.A N THR 63.A O no hydrogen 2.907 N/A THR 67.A OG1 THR 63.A O no hydrogen 2.848 N/A ALA 68.A N ILE 64.A O no hydrogen 2.982 N/A LYS 69.A N TYR 65.A O no hydrogen 2.958 N/A GLN 70.A N ILE 66.A O no hydrogen 3.112 N/A GLN 70.A N THR 67.A O no hydrogen 3.284 N/A ASN 71.A ND2 THR 67.A O no hydrogen 3.010 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.753 N/A LEU 78.A N PRO 75.A O no hydrogen 2.973 N/A PHE 79.A N PRO 75.A O no hydrogen 3.204 N/A GLY 80.A N PRO 76.A O no hydrogen 2.883 N/A SER 81.A N GLU 77.A O no hydrogen 3.247 N/A SER 81.A OG GLU 77.A O no hydrogen 2.897 N/A ILE 82.A N LEU 78.A O no hydrogen 2.906 N/A LEU 83.A N PHE 79.A O no hydrogen 2.930 N/A GLY 84.A N GLY 80.A O no hydrogen 2.917 N/A THR 85.A N SER 81.A O no hydrogen 3.004 N/A THR 85.A OG1 SER 81.A O no hydrogen 2.888 N/A HIS 86.A N ILE 82.A O no hydrogen 3.027 N/A PHE 87.A N GLY 84.A O no hydrogen 3.201 N/A GLU 89.A N THR 85.A O no hydrogen 2.976 N/A LYS 90.A N HIS 86.A O no hydrogen 2.875 N/A TYR 91.A N PHE 87.A O no hydrogen 3.276 N/A HIS 93.A N HIS 93.A ND1 no hydrogen 3.003 N/A HIS 93.A NE2 VAL 53.A O no hydrogen 2.692 N/A ILE 94.A N TYR 91.A O no hydrogen 3.213 N/A HIS 95.A N GLU 39.A O no hydrogen 2.987 N/A HIS 95.A ND1 GLU 136.A OE1 no hydrogen 2.758 N/A HIS 95.A NE2 GLU 41.A OE2 no hydrogen 2.673 N/A ALA 96.A N GLU 39.A O no hydrogen 3.208 N/A ALA 97.A N VAL 134.A O no hydrogen 2.871 N/A HIS 98.A N LEU 37.A O no hydrogen 2.760 N/A HIS 98.A ND1 ASP 133.A OD1 no hydrogen 2.594 N/A HIS 98.A NE2 GLU 39.A OE2 no hydrogen 2.524 N/A VAL 99.A N VAL 132.A O no hydrogen 2.811 N/A ASN 100.A N CYS 35.A O no hydrogen 2.886 N/A ASN 100.A ND2.A GLN 131.A OE1.A no hydrogen 2.925 N/A ILE 101.A N VAL 130.A O no hydrogen 2.950 N/A VAL 102.A N THR 33.A O no hydrogen 2.967 N/A CYS 103.A N ARG 128.A O no hydrogen 2.790 N/A HIS 104.A N GLU 31.A O no hydrogen 3.017 N/A HIS 104.A NE2 THR 33.A OG1 no hydrogen 2.867 N/A ARG 105.A NE ASP 123.A O no hydrogen 3.186 N/A ARG 105.A NE ASP 123.A OD1 no hydrogen 3.022 N/A ARG 105.A NH2 ASP 123.A OD2 no hydrogen 2.852 N/A TRP 106.A NE1 GLU 31.A OE1 no hydrogen 2.912 N/A THR 107.A N ILE 121.A O no hydrogen 2.815 N/A THR 107.A OG1 ASP 123.A OD1 no hydrogen 2.646 N/A ARG 108.A NH1 GLN 27.A O no hydrogen 3.065 N/A ARG 108.A NH1 HIS 116.A O no hydrogen 2.914 N/A ARG 108.A NH1 PRO 117.A O no hydrogen 3.215 N/A ARG 108.A NH2 GLN 27.A O no hydrogen 2.997 N/A MET 109.A N SER 119.A O no hydrogen 2.917 N/A ILE 111.A N LYS 114.A O no hydrogen 2.920 N/A LYS 114.A N ILE 111.A O no hydrogen 3.137 N/A HIS 116.A N MET 109.A O no hydrogen 2.794 N/A HIS 118.A N HIS 116.A ND1 no hydrogen 3.193 N/A SER 119.A OG.A HIS 116.A ND1 no hydrogen 3.214 N/A ILE 121.A N THR 107.A O no hydrogen 2.828 N/A ARG 122.A NE ARG 105.A O no hydrogen 2.683 N/A ARG 122.A NH2 ARG 105.A O no hydrogen 3.513 N/A SER 124.A OG ASP 123.A O no hydrogen 2.841 N/A GLU 126.A N SER 124.A OG no hydrogen 3.068 N/A LYS 127.A N SER 147.A O no hydrogen 2.831 N/A LYS 127.A NZ HIS 104.A ND1 no hydrogen 2.898 N/A LYS 127.A NZ GLU 125.A OE2 no hydrogen 2.984 N/A ARG 128.A N CYS 103.A O no hydrogen 3.361 N/A ARG 128.A NH1 ASP 205.A OD1 no hydrogen 2.725 N/A ARG 128.A NH2 GLU 77.A OE1 no hydrogen 3.024 N/A ARG 128.A NH2 GLU 77.A OE2 no hydrogen 3.566 N/A ARG 128.A NH2 ASP 205.A OD1 no hydrogen 2.993 N/A ASN 129.A N SER 145.A O no hydrogen 2.929 N/A ASN 129.A ND2 SER 145.A OG no hydrogen 3.129 N/A ASN 129.A ND2 SER 147.A OG no hydrogen 2.968 N/A VAL 130.A N ILE 101.A O no hydrogen 2.955 N/A GLN 131.A N LYS 143.A O no hydrogen 2.776 N/A GLN 131.A NE2.A ASP 133.A OD1 no hydrogen 3.345 N/A GLN 131.A NE2.B ASP 133.A OD2 no hydrogen 3.110 N/A VAL 132.A N VAL 99.A O no hydrogen 2.779 N/A ASP 133.A N ASP 141.A O no hydrogen 2.888 N/A VAL 134.A N ALA 97.A O no hydrogen 2.878 N/A VAL 135.A N GLY 139.A O no hydrogen 3.092 N/A GLU 136.A N HIS 95.A O no hydrogen 2.860 N/A LYS 138.A N VAL 135.A O no hydrogen 2.886 N/A ILE 140.A N PHE 191.A O no hydrogen 2.847 N/A ASP 141.A N ASP 133.A O no hydrogen 2.897 N/A LYS 143.A N GLN 131.A O no hydrogen 2.880 N/A LYS 143.A NZ GLU 249.A OE2.B no hydrogen 3.085 N/A SER 144.A N TRP 186.A O no hydrogen 2.900 N/A SER 144.A OG GLU 77.A OE2 no hydrogen 2.734 N/A SER 145.A N ASN 129.A O no hydrogen 2.905 N/A LEU 146.A N ALA 184.A O no hydrogen 2.942 N/A SER 147.A N LYS 127.A O no hydrogen 3.094 N/A THR 150.A OG1 ASP 181.A OD1 no hydrogen 2.668 N/A VAL 151.A N THR 180.A O no hydrogen 2.998 N/A LYS 153.A N LEU 178.A O no hydrogen 2.865 N/A LYS 153.A NZ ASN 156.A O no hydrogen 3.174 N/A LYS 153.A NZ PHE 219.A O no hydrogen 2.963 N/A THR 155.A OG1 ASP 175.A OD1 no hydrogen 2.715 N/A ASN 156.A N THR 155.A OG1 no hydrogen 2.847 N/A GLN 158.A N SER 224.A O no hydrogen 2.847 N/A PHE 159.A N THR 173.A O no hydrogen 2.888 N/A TRP 160.A NE1 GLN 158.A OE1 no hydrogen 2.991 N/A GLY 161.A N GLU 172.A OE2 no hydrogen 2.839 N/A ARG 164.A NH1 LEU 170.A O no hydrogen 3.067 N/A ARG 164.A NH2 LEU 170.A O no hydrogen 2.963 N/A ASP 165.A N THR 168.A OG1 no hydrogen 3.043 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.697 N/A TYR 167.A N ASP 165.A OD1 no hydrogen 2.944 N/A THR 168.A N ASP 165.A O no hydrogen 3.110 N/A THR 168.A OG1 ASP 165.A O no hydrogen 3.556 N/A THR 168.A OG1 ASP 165.A OD1 no hydrogen 3.280 N/A THR 173.A N PHE 159.A O no hydrogen 3.064 N/A THR 173.A OG1 ASP 175.A O no hydrogen 3.057 N/A ASP 175.A N THR 173.A OG1 no hydrogen 3.242 N/A ARG 176.A N SER 157.A O no hydrogen 2.941 N/A ARG 176.A NE SER 157.A OG no hydrogen 2.913 N/A LEU 178.A N LYS 153.A O no hydrogen 3.049 N/A SER 179.A OG VAL 151.A O no hydrogen 2.840 N/A THR 180.A N VAL 151.A O no hydrogen 3.109 N/A THR 180.A OG1 PRO 253.A O no hydrogen 2.560 N/A VAL 182.A N LEU 149.A O no hydrogen 2.757 N/A ALA 184.A N LEU 146.A O no hydrogen 2.989 N/A THR 185.A N GLU 249.A O no hydrogen 2.833 N/A TRP 186.A N SER 144.A O no hydrogen 2.799 N/A GLN 187.A N THR 247.A O no hydrogen 2.956 N/A TRP 188.A N ILE 142.A O no hydrogen 3.037 N/A TRP 188.A NE1 SER 144.A OG no hydrogen 2.881 N/A LYS 189.A N LEU 244.A O no hydrogen 2.862 N/A LYS 189.A NZ ASN 190.A O no hydrogen 2.955 N/A LYS 189.A NZ GLU 196.A OE2 no hydrogen 2.836 N/A ASN 190.A ND2 LYS 138.A O no hydrogen 3.114 N/A ASN 190.A ND2 ASP 141.A OD1 no hydrogen 2.889 N/A PHE 191.A N ILE 140.A O no hydrogen 3.001 N/A SER 192.A N GLU 196.A OE1 no hydrogen 2.777 N/A SER 192.A OG GLU 196.A OE1 no hydrogen 3.147 N/A VAL 197.A N GLY 193.A O no hydrogen 3.206 N/A ARG 198.A N LEU 194.A O no hydrogen 2.853 N/A SER 199.A N GLN 195.A O no hydrogen 3.076 N/A SER 199.A OG GLU 196.A O no hydrogen 2.713 N/A HIS 200.A N VAL 197.A O no hydrogen 3.058 N/A VAL 201.A N ARG 198.A O no hydrogen 3.319 N/A LYS 203.A N HIS 200.A O no hydrogen 2.861 N/A LYS 203.A NZ HIS 200.A ND1 no hydrogen 3.089 N/A PHE 204.A N VAL 201.A O no hydrogen 3.199 N/A THR 207.A N LYS 203.A O no hydrogen 2.910 N/A THR 207.A OG1 LYS 203.A O no hydrogen 2.731 N/A TRP 208.A N PHE 204.A O no hydrogen 3.100 N/A ALA 209.A N ASP 205.A O no hydrogen 3.024 N/A THR 210.A N ALA 206.A O no hydrogen 2.979 N/A THR 210.A OG1 ALA 206.A O no hydrogen 2.960 N/A ALA 211.A N THR 207.A O no hydrogen 2.791 N/A ARG 212.A N TRP 208.A O no hydrogen 2.978 N/A ARG 212.A NE GLU 126.A OE1 no hydrogen 3.280 N/A ARG 212.A NE GLU 126.A OE2 no hydrogen 2.924 N/A ARG 212.A NH2 GLU 126.A OE1 no hydrogen 2.896 N/A GLU 213.A N ALA 209.A O no hydrogen 2.915 N/A VAL 214.A N THR 210.A O no hydrogen 2.837 N/A THR 215.A N ALA 211.A O no hydrogen 3.034 N/A THR 215.A OG1 ALA 211.A O no hydrogen 2.718 N/A THR 215.A OG1 TYR 250.A OH no hydrogen 2.732 N/A LEU 216.A N ARG 212.A O no hydrogen 3.018 N/A LYS 217.A N GLU 213.A O no hydrogen 2.928 N/A LYS 217.A NZ GLU 221.A OE1 no hydrogen 3.337 N/A LYS 217.A NZ GLU 221.A OE2 no hydrogen 3.181 N/A THR 218.A N VAL 214.A O no hydrogen 2.991 N/A THR 218.A OG1 VAL 214.A O no hydrogen 2.811 N/A PHE 219.A N THR 215.A O no hydrogen 3.078 N/A ALA 220.A N LEU 216.A O no hydrogen 3.006 N/A GLU 221.A N LYS 217.A O no hydrogen 2.915 N/A ASP 222.A N THR 218.A O no hydrogen 2.884 N/A SER 224.A N ASN 156.A O no hydrogen 3.236 N/A SER 224.A OG SER 226.A O no hydrogen 2.872 N/A SER 224.A OG THR 230.A OG1 no hydrogen 2.708 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.725 N/A ALA 229.A N SER 226.A OG no hydrogen 2.924 N/A THR 230.A N SER 226.A O no hydrogen 3.277 N/A THR 230.A OG1 ASP 222.A OD2 no hydrogen 2.644 N/A THR 230.A OG1 SER 224.A OG no hydrogen 2.708 N/A THR 230.A OG1 SER 226.A O no hydrogen 3.306 N/A MET 231.A N VAL 227.A O no hydrogen 2.923 N/A TYR 232.A N GLN 228.A O no hydrogen 3.154 N/A LYS 233.A N ALA 229.A O no hydrogen 3.322 N/A LYS 233.A NZ ASP 222.A OD1 no hydrogen 2.699 N/A MET 234.A N THR 230.A O no hydrogen 3.203 N/A ALA 235.A N MET 231.A O no hydrogen 3.116 N/A GLU 236.A N TYR 232.A O no hydrogen 2.937 N/A GLN 237.A N LYS 233.A O no hydrogen 3.304 N/A GLN 237.A NE2 THR 218.A OG1 no hydrogen 2.908 N/A GLN 237.A NE2 LYS 233.A O no hydrogen 3.111 N/A ILE 238.A N MET 234.A O no hydrogen 3.208 N/A LEU 239.A N ALA 235.A O no hydrogen 3.114 N/A ALA 240.A N GLU 236.A O no hydrogen 3.116 N/A ARG 241.A N GLN 237.A O no hydrogen 3.183 N/A ARG 241.A N ILE 238.A O no hydrogen 3.088 N/A GLN 242.A NE2 THR 207.A OG1 no hydrogen 3.281 N/A GLN 243.A NE2 ALA 240.A O no hydrogen 3.549 N/A LEU 244.A N GLN 242.A OE1 no hydrogen 3.012 N/A ILE 245.A N GLN 242.A O no hydrogen 3.267 N/A GLU 246.A N GLN 187.A O no hydrogen 2.780 N/A VAL 248.A N VAL 292.A O no hydrogen 2.948 N/A GLU 249.A N THR 185.A O no hydrogen 2.768 N/A TYR 250.A N CYS 290.A O no hydrogen 2.971 N/A TYR 250.A OH THR 215.A OG1 no hydrogen 2.732 N/A SER 251.A N ASP 183.A O no hydrogen 2.946 N/A LEU 252.A N ILE 288.A O no hydrogen 2.910 N/A ASN 254.A N GLY 286.A O no hydrogen 2.859 N/A LYS 255.A N SER 179.A O no hydrogen 3.021 N/A LYS 255.A NZ ASP 181.A OD1 no hydrogen 2.873 N/A LYS 255.A NZ ASP 181.A OD2 no hydrogen 3.432 N/A PHE 258.A N ALA 279.A O no hydrogen 3.006 N/A SER 263.A N ASP 261.A OD1 no hydrogen 2.840 N/A SER 263.A OG ASP 261.A OD1 no hydrogen 2.721 N/A HIS 265.A N LEU 262.A O no hydrogen 2.951 N/A LEU 268.A N HIS 265.A O no hydrogen 3.106 N/A GLN 269.A NE2 GLY 267.A O no hydrogen 2.935 N/A ASN 270.A ND2 ILE 260.A O no hydrogen 2.832 N/A ASN 270.A ND2 VAL 277.A O no hydrogen 2.947 N/A GLY 272.A N GLU 259.A OE2 no hydrogen 2.905 N/A ASN 274.A N THR 271.A O no hydrogen 2.978 N/A ALA 275.A N GLY 272.A O no hydrogen 3.138 N/A GLU 276.A N ASN 270.A OD1 no hydrogen 2.941 N/A VAL 277.A N ASN 270.A OD1 no hydrogen 3.156 N/A ALA 279.A N PHE 258.A O no hydrogen 2.908 N/A GLN 281.A N HIS 256.A O no hydrogen 2.901 N/A GLN 281.A NE2 ALA 279.A O no hydrogen 2.916 N/A ASN 285.A ND2 GLY 286.A O no hydrogen 2.890 N/A GLY 286.A N ASN 254.A O no hydrogen 3.291 N/A ILE 288.A N LEU 252.A O no hydrogen 2.925 N/A LYS 289.A NZ SER 251.A OG no hydrogen 2.996 N/A CYS 290.A N TYR 250.A O no hydrogen 3.071 N/A VAL 292.A N VAL 248.A O no hydrogen 2.836 N/A ARG 294.A NE ILE 245.A O no hydrogen 2.906 N/A ARG 294.A NH1 LEU 239.A O no hydrogen 3.320 N/A ARG 294.A NH2 LEU 239.A O no hydrogen 2.931 N/A ARG 294.A NH2 ILE 245.A O no hydrogen 2.868 N/A