Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6tko_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 48.A N CYS 44.A O no hydrogen 3.080 N/A ALA 49.A N SER 45.A O no hydrogen 2.753 N/A LEU 50.A N LEU 46.A O no hydrogen 2.974 N/A VAL 52.A N MET 48.A O no hydrogen 3.057 N/A LEU 53.A N ALA 49.A O no hydrogen 2.814 N/A LEU 54.A N LEU 50.A O no hydrogen 3.056 N/A ILE 55.A N VAL 51.A O no hydrogen 2.982 N/A VAL 56.A N VAL 52.A O no hydrogen 3.110 N/A ALA 57.A N LEU 53.A O no hydrogen 2.903 N/A GLY 58.A N LEU 54.A O no hydrogen 2.878 N/A ASN 59.A N ILE 55.A O no hydrogen 2.935 N/A ASN 59.A ND2 ILE 55.A O no hydrogen 2.691 N/A VAL 60.A N VAL 56.A O no hydrogen 3.042 N/A LEU 61.A N ALA 57.A O no hydrogen 2.992 N/A VAL 62.A N GLY 58.A O no hydrogen 2.917 N/A ILE 63.A N ASN 59.A O no hydrogen 2.792 N/A ALA 64.A N VAL 60.A O no hydrogen 2.941 N/A ALA 65.A N LEU 61.A O no hydrogen 2.888 N/A ILE 66.A N VAL 62.A O no hydrogen 2.933 N/A GLY 67.A N ILE 63.A O no hydrogen 2.995 N/A ARG 68.A N ALA 64.A O no hydrogen 2.930 N/A THR 69.A N ALA 65.A O no hydrogen 3.365 N/A THR 69.A OG1 ALA 65.A O no hydrogen 3.123 N/A GLN 73.A N GLN 70.A O no hydrogen 3.292 N/A GLN 73.A NE2 ILE 66.A O no hydrogen 3.422 N/A GLN 73.A NE2 GLY 67.A O no hydrogen 2.744 N/A GLN 73.A NE2 THR 69.A O no hydrogen 3.688 N/A THR 74.A N LEU 72.A O no hydrogen 2.717 N/A THR 76.A OG1 ASP 138.A OD2 no hydrogen 3.556 N/A ASN 77.A N THR 74.A OG1 no hydrogen 3.225 N/A ASN 77.A ND2 LEU 72.A O no hydrogen 2.301 N/A THR 81.A N ASN 77.A O no hydrogen 2.842 N/A THR 81.A OG1 ASN 77.A O no hydrogen 3.030 N/A SER 82.A N LEU 78.A O no hydrogen 3.241 N/A SER 82.A OG PHE 79.A O no hydrogen 3.034 N/A LEU 83.A N PHE 79.A O no hydrogen 3.307 N/A ALA 84.A N ILE 80.A O no hydrogen 2.676 N/A CYS 85.A N THR 81.A O no hydrogen 2.766 N/A ALA 86.A N SER 82.A O no hydrogen 2.741 N/A ASP 87.A N LEU 83.A O no hydrogen 2.793 N/A LEU 88.A N ALA 84.A O no hydrogen 2.810 N/A VAL 89.A N CYS 85.A O no hydrogen 3.371 N/A GLY 91.A N ASP 87.A O no hydrogen 3.293 N/A LEU 92.A N LEU 88.A O no hydrogen 3.019 N/A LEU 93.A N VAL 89.A O no hydrogen 2.997 N/A VAL 94.A N VAL 90.A O no hydrogen 2.800 N/A VAL 95.A N VAL 90.A O no hydrogen 2.653 N/A GLY 98.A N VAL 94.A O no hydrogen 2.769 N/A ALA 99.A N VAL 95.A O no hydrogen 2.852 N/A THR 100.A N PRO 96.A O no hydrogen 3.229 N/A THR 100.A OG1 PRO 96.A O no hydrogen 3.358 N/A THR 100.A OG1 PHE 97.A O no hydrogen 2.599 N/A LEU 101.A N PHE 97.A O no hydrogen 3.138 N/A VAL 102.A N GLY 98.A O no hydrogen 3.086 N/A VAL 102.A N ALA 99.A O no hydrogen 3.241 N/A CYS 103.A N ALA 99.A O no hydrogen 3.150 N/A CYS 103.A SG ALA 99.A O no hydrogen 3.651 N/A CYS 103.A SG THR 100.A O no hydrogen 3.993 N/A ARG 104.A N THR 100.A O no hydrogen 2.790 N/A GLY 105.A N LEU 101.A O no hydrogen 3.262 N/A THR 106.A OG1 GLY 197.A O no hydrogen 2.963 N/A TRP 107.A N GLY 197.A O no hydrogen 2.833 N/A TRP 109.A NE1 THR 100.A OG1 no hydrogen 3.310 N/A CYS 114.A N GLY 110.A O no hydrogen 3.181 N/A CYS 114.A N SER 111.A O no hydrogen 3.221 N/A LEU 116.A N PHE 112.A O no hydrogen 3.007 N/A TRP 117.A N LEU 113.A O no hydrogen 2.730 N/A TRP 117.A NE1 VAL 94.A O no hydrogen 3.303 N/A THR 118.A N CYS 114.A O no hydrogen 3.006 N/A THR 118.A OG1 CYS 114.A O no hydrogen 2.818 N/A SER 119.A N GLU 115.A O no hydrogen 2.812 N/A SER 119.A OG LEU 116.A O no hydrogen 3.079 N/A LEU 120.A N LEU 116.A O no hydrogen 2.932 N/A ASP 121.A N TRP 117.A O no hydrogen 2.959 N/A VAL 122.A N THR 118.A O no hydrogen 3.055 N/A LEU 123.A N SER 119.A O no hydrogen 2.995 N/A CYS 124.A N LEU 120.A O no hydrogen 3.045 N/A CYS 124.A SG ALA 86.A O no hydrogen 3.471 N/A VAL 125.A N ASP 121.A O no hydrogen 2.998 N/A THR 126.A N VAL 122.A O no hydrogen 2.857 N/A THR 126.A OG1 VAL 122.A O no hydrogen 2.487 N/A ALA 127.A N LEU 123.A O no hydrogen 2.814 N/A SER 128.A N CYS 124.A O no hydrogen 2.747 N/A SER 128.A OG ASP 87.A OD1 no hydrogen 3.496 N/A ILE 129.A N VAL 125.A O no hydrogen 2.832 N/A TRP 130.A N THR 126.A O no hydrogen 3.003 N/A THR 131.A N ALA 127.A O no hydrogen 2.851 N/A THR 131.A OG1 ALA 127.A O no hydrogen 2.337 N/A LEU 132.A N SER 128.A O no hydrogen 3.010 N/A CYS 133.A N ILE 129.A O no hydrogen 3.066 N/A VAL 134.A N TRP 130.A O no hydrogen 2.816 N/A ILE 135.A N THR 131.A O no hydrogen 2.964 N/A ALA 136.A N LEU 132.A O no hydrogen 3.139 N/A ILE 137.A N CYS 133.A O no hydrogen 2.953 N/A ASP 138.A N VAL 134.A O no hydrogen 2.812 N/A ARG 139.A N ILE 135.A O no hydrogen 2.857 N/A ARG 139.A NH1 ASP 138.A OD2 no hydrogen 2.868 N/A TYR 140.A N ALA 136.A O no hydrogen 2.970 N/A LEU 141.A N ILE 137.A O no hydrogen 2.750 N/A ALA 142.A N ASP 138.A O no hydrogen 2.851 N/A ALA 142.A N ARG 139.A O no hydrogen 3.242 N/A ILE 143.A N ARG 139.A O no hydrogen 2.696 N/A THR 144.A N TYR 140.A O no hydrogen 2.890 N/A THR 144.A OG1 TYR 140.A O no hydrogen 2.500 N/A SER 145.A OG LEU 141.A O no hydrogen 2.909 N/A TYR 149.A N SER 145.A O no hydrogen 2.880 N/A GLN 150.A N PRO 146.A O no hydrogen 3.240 N/A GLN 150.A NE2 PRO 146.A O no hydrogen 2.844 N/A SER 151.A OG ARG 148.A O no hydrogen 3.425 N/A LEU 152.A N ARG 148.A O no hydrogen 2.919 N/A MET 153.A N TYR 149.A O no hydrogen 2.969 N/A ARG 155.A NH1 THR 74.A O no hydrogen 3.489 N/A ARG 155.A NH2 GLN 73.A O no hydrogen 2.782 N/A ARG 157.A NE LEU 152.A O no hydrogen 2.499 N/A ALA 158.A N THR 154.A O no hydrogen 2.552 N/A LYS 159.A N ARG 155.A O no hydrogen 2.949 N/A VAL 160.A N ALA 156.A O no hydrogen 3.082 N/A ILE 161.A N ARG 157.A O no hydrogen 2.815 N/A ILE 162.A N ALA 158.A O no hydrogen 3.026 N/A CYS 163.A N LYS 159.A O no hydrogen 3.041 N/A CYS 163.A SG LYS 159.A O no hydrogen 3.267 N/A THR 164.A N VAL 160.A O no hydrogen 2.856 N/A THR 164.A OG1 VAL 160.A O no hydrogen 3.109 N/A THR 164.A OG1 ILE 161.A O no hydrogen 2.527 N/A VAL 165.A N ILE 161.A O no hydrogen 2.925 N/A TRP 166.A N ILE 162.A O no hydrogen 2.891 N/A ALA 167.A N CYS 163.A O no hydrogen 2.888 N/A ILE 168.A N THR 164.A O no hydrogen 2.852 N/A SER 169.A N VAL 165.A O no hydrogen 3.051 N/A SER 169.A OG VAL 165.A O no hydrogen 2.851 N/A SER 169.A OG TRP 166.A O no hydrogen 2.756 N/A ALA 170.A N TRP 166.A O no hydrogen 3.133 N/A LEU 171.A N ALA 167.A O no hydrogen 2.989 N/A VAL 172.A N ILE 168.A O no hydrogen 3.076 N/A VAL 172.A N SER 169.A O no hydrogen 3.111 N/A SER 173.A N SER 169.A O no hydrogen 2.852 N/A SER 173.A N ALA 170.A O no hydrogen 3.184 N/A SER 173.A OG SER 169.A O no hydrogen 2.594 N/A PHE 174.A N ALA 170.A O no hydrogen 2.635 N/A LEU 175.A N ALA 170.A O no hydrogen 3.116 N/A MET 178.A N PHE 174.A O no hydrogen 2.871 N/A MET 179.A N LEU 175.A O no hydrogen 3.233 N/A HIS 180.A N ILE 177.A O no hydrogen 3.040 N/A TRP 181.A N PRO 176.A O no hydrogen 2.794 N/A ARG 183.A N HIS 180.A O no hydrogen 3.375 N/A ASP 184.A N TYR 193.A OH no hydrogen 3.197 N/A GLU 185.A N ASP 184.A OD1 no hydrogen 2.491 N/A LEU 190.A N ASP 186.A O no hydrogen 2.840 N/A LYS 191.A N PRO 187.A O no hydrogen 2.985 N/A CYS 192.A N GLN 188.A O no hydrogen 3.041 N/A CYS 192.A SG ASP 200.A OD1 no hydrogen 3.750 N/A TYR 193.A N ALA 189.A O no hydrogen 2.980 N/A TYR 193.A OH VAL 202.A O no hydrogen 2.279 N/A GLN 194.A N LEU 190.A O no hydrogen 2.925 N/A ASP 195.A N LYS 191.A O no hydrogen 3.028 N/A GLY 197.A N ASP 195.A OD1 no hydrogen 2.839 N/A CYS 198.A SG ASP 200.A OD1 no hydrogen 3.028 N/A ASN 204.A ND2 TRP 181.A O no hydrogen 3.071 N/A ASN 204.A ND2 TRP 182.A O no hydrogen 3.317 N/A TYR 207.A N ASN 204.A OD1 no hydrogen 2.575 N/A TYR 207.A OH VAL 172.A O no hydrogen 3.099 N/A ALA 208.A N ASN 204.A O no hydrogen 2.705 N/A ILE 209.A N ARG 205.A O no hydrogen 3.023 N/A ALA 210.A N ALA 206.A O no hydrogen 2.910 N/A SER 211.A N TYR 207.A O no hydrogen 2.751 N/A SER 211.A OG TYR 207.A O no hydrogen 2.889 N/A SER 211.A OG ALA 208.A O no hydrogen 2.916 N/A SER 212.A N ALA 208.A O no hydrogen 2.956 N/A SER 212.A OG ALA 208.A O no hydrogen 2.702 N/A ILE 213.A N ILE 209.A O no hydrogen 2.817 N/A ILE 214.A N ALA 210.A O no hydrogen 3.078 N/A SER 215.A N SER 211.A O no hydrogen 2.881 N/A SER 215.A OG SER 211.A O no hydrogen 2.845 N/A PHE 216.A N SER 212.A O no hydrogen 3.399 N/A TYR 217.A N SER 212.A O no hydrogen 3.104 N/A TYR 217.A OH PHE 307.A O no hydrogen 3.094 N/A ILE 218.A N ILE 213.A O no hydrogen 3.005 N/A LEU 220.A N PHE 216.A O no hydrogen 2.648 N/A LEU 221.A N TYR 217.A O no hydrogen 2.788 N/A ILE 222.A N ILE 218.A O no hydrogen 2.986 N/A MET 223.A N PRO 219.A O no hydrogen 2.648 N/A ILE 224.A N LEU 220.A O no hydrogen 2.771 N/A PHE 225.A N LEU 221.A O no hydrogen 3.012 N/A VAL 226.A N ILE 222.A O no hydrogen 2.858 N/A TYR 227.A N MET 223.A O no hydrogen 2.827 N/A TYR 227.A OH TYR 343.A OH no hydrogen 3.190 N/A LEU 228.A N ILE 224.A O no hydrogen 2.926 N/A ARG 229.A N PHE 225.A O no hydrogen 3.097 N/A VAL 230.A N VAL 226.A O no hydrogen 2.978 N/A TYR 231.A N TYR 227.A O no hydrogen 2.821 N/A ARG 232.A N LEU 228.A O no hydrogen 2.996 N/A GLU 233.A N ARG 229.A O no hydrogen 2.864 N/A ALA 234.A N VAL 230.A O no hydrogen 2.703 N/A LYS 235.A N TYR 231.A O no hydrogen 2.999 N/A GLU 236.A N ARG 232.A O no hydrogen 3.086 N/A GLN 237.A N GLU 233.A O no hydrogen 2.961 N/A GLN 237.A NE2 ILE 143.A O no hydrogen 2.912 N/A ILE 238.A N ALA 234.A O no hydrogen 2.944 N/A ARG 239.A N LYS 235.A O no hydrogen 2.808 N/A LYS 240.A N GLU 236.A O no hydrogen 2.896 N/A ILE 241.A N GLN 237.A O no hydrogen 3.011 N/A ASP 242.A N ILE 238.A O no hydrogen 2.841 N/A GLU 285.A N MET 281.A O no hydrogen 3.336 N/A HIS 286.A N ALA 282.A O no hydrogen 2.887 N/A LYS 287.A N MET 283.A O no hydrogen 2.884 N/A ALA 288.A N ARG 284.A O no hydrogen 2.864 N/A LEU 289.A N GLU 285.A O no hydrogen 2.848 N/A LYS 290.A N HIS 286.A O no hydrogen 2.797 N/A THR 291.A N LYS 287.A O no hydrogen 2.796 N/A THR 291.A OG1 LYS 287.A O no hydrogen 2.528 N/A LEU 292.A N ALA 288.A O no hydrogen 2.995 N/A GLY 293.A N LEU 289.A O no hydrogen 3.195 N/A ILE 294.A N LYS 290.A O no hydrogen 3.078 N/A ILE 295.A N THR 291.A O no hydrogen 3.211 N/A MET 296.A N LEU 292.A O no hydrogen 3.240 N/A MET 296.A N GLY 293.A O no hydrogen 3.194 N/A GLY 297.A N GLY 293.A O no hydrogen 2.764 N/A VAL 298.A N ILE 294.A O no hydrogen 3.062 N/A THR 300.A N MET 296.A O no hydrogen 2.948 N/A THR 300.A OG1 MET 296.A O no hydrogen 2.804 N/A THR 300.A OG1 GLY 297.A O no hydrogen 2.849 N/A LEU 301.A N GLY 297.A O no hydrogen 2.815 N/A CYS 302.A N VAL 298.A O no hydrogen 3.267 N/A CYS 302.A SG VAL 298.A O no hydrogen 3.113 N/A TRP 303.A N PHE 299.A O no hydrogen 3.058 N/A TRP 303.A NE1 ASN 335.A OD1 no hydrogen 2.790 N/A LEU 304.A N THR 300.A O no hydrogen 2.895 N/A PHE 307.A N TRP 303.A O no hydrogen 3.274 N/A LEU 308.A N LEU 304.A O no hydrogen 2.736 N/A VAL 309.A N PRO 305.A O no hydrogen 2.994 N/A ASN 310.A N PHE 306.A O no hydrogen 3.001 N/A ILE 311.A N PHE 307.A O no hydrogen 3.225 N/A ASN 313.A N VAL 309.A O no hydrogen 2.840 N/A VAL 314.A N ASN 310.A O no hydrogen 2.907 N/A ASN 316.A N VAL 312.A O no hydrogen 2.823 N/A VAL 320.A N ASN 316.A O no hydrogen 3.440 N/A PHE 325.A N PRO 321.A O no hydrogen 3.427 N/A VAL 326.A N LYS 322.A O no hydrogen 3.080 N/A ALA 327.A N TRP 323.A O no hydrogen 2.969 N/A PHE 328.A N LEU 324.A O no hydrogen 2.836 N/A ASN 329.A N PHE 325.A O no hydrogen 2.957 N/A TRP 330.A N VAL 326.A O no hydrogen 2.926 N/A LEU 331.A N ALA 327.A O no hydrogen 3.092 N/A GLY 332.A N PHE 328.A O no hydrogen 2.947 N/A TYR 333.A N ASN 329.A O no hydrogen 3.044 N/A TYR 333.A OH ASP 121.A OD1 no hydrogen 3.281 N/A TYR 333.A OH ASP 121.A OD2 no hydrogen 2.370 N/A ALA 334.A N TRP 330.A O no hydrogen 3.023 N/A ASN 335.A N GLY 332.A O no hydrogen 3.045 N/A ALA 337.A N TYR 333.A O no hydrogen 2.980 N/A MET 338.A N ALA 334.A O no hydrogen 2.778 N/A ASN 339.A N ASN 335.A O no hydrogen 2.750 N/A ASN 339.A ND2 ASP 87.A OD2 no hydrogen 3.491 N/A ASN 339.A ND2 ASN 335.A OD1 no hydrogen 3.180 N/A ILE 342.A N ASN 339.A O no hydrogen 3.160 N/A TYR 343.A N ASN 339.A O no hydrogen 2.811 N/A TYR 343.A OH TYR 227.A OH no hydrogen 3.190 N/A ARG 350.A N SER 346.A O no hydrogen 2.916 N/A LYS 351.A N PRO 347.A O no hydrogen 2.943 N/A ALA 352.A N ASP 348.A O no hydrogen 3.450 N/A PHE 353.A N PHE 349.A O no hydrogen 2.975 N/A LYS 354.A N ARG 350.A O no hydrogen 2.939 N/A ARG 355.A N LYS 351.A O no hydrogen 2.963 N/A LEU 356.A N ALA 352.A O no hydrogen 2.949 N/A LEU 357.A N PHE 353.A O no hydrogen 2.931 N/A ALA 358.A N ARG 355.A O no hydrogen 3.115 N/A