Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ki1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASN 4.A O no hydrogen 3.288 N/A ASN 4.A N LEU 56.A O no hydrogen 2.790 N/A ASN 4.A ND2 ALA 55.A O no hydrogen 3.148 N/A ASN 4.A ND2 THR 60.A O no hydrogen 3.184 N/A LYS 5.A N ASN 4.A OD1 no hydrogen 2.787 N/A ARG 9.A N HIS 7.A ND1 no hydrogen 3.295 N/A ASP 14.A N ASN 10.A O no hydrogen 2.427 N/A LEU 15.A N LEU 11.A O no hydrogen 3.035 N/A PHE 16.A N GLN 12.A O no hydrogen 2.898 N/A GLY 17.A N GLY 13.A O no hydrogen 2.767 N/A GLY 18.A N ASP 14.A O no hydrogen 2.903 N/A VAL 19.A N LEU 15.A O no hydrogen 3.140 N/A THR 20.A N PHE 16.A O no hydrogen 3.079 N/A THR 20.A OG1 PHE 16.A O no hydrogen 2.752 N/A THR 20.A OG1 SER 307.A OG no hydrogen 2.626 N/A ALA 21.A N GLY 17.A O no hydrogen 2.941 N/A ALA 22.A N GLY 18.A O no hydrogen 2.815 N/A VAL 23.A N VAL 19.A O no hydrogen 3.230 N/A ILE 24.A N THR 20.A O no hydrogen 3.191 N/A ALA 25.A N ALA 21.A O no hydrogen 3.136 N/A LEU 26.A N ALA 22.A O no hydrogen 3.096 N/A ALA 29.A N ALA 25.A O no hydrogen 2.764 N/A LEU 30.A N LEU 26.A O no hydrogen 3.246 N/A ALA 31.A N PRO 27.A O no hydrogen 3.156 N/A PHE 32.A N MET 28.A O no hydrogen 2.678 N/A GLY 33.A N ALA 29.A O no hydrogen 3.232 N/A ILE 34.A N LEU 30.A O no hydrogen 3.273 N/A ALA 35.A N ALA 31.A O no hydrogen 2.986 N/A SER 36.A N PHE 32.A O no hydrogen 2.724 N/A SER 36.A OG GLY 33.A O no hydrogen 2.249 N/A SER 36.A OG ALA 38.A O no hydrogen 3.427 N/A GLY 37.A N ILE 34.A O no hydrogen 2.809 N/A ALA 38.A N SER 36.A OG no hydrogen 3.005 N/A GLY 43.A N ALA 40.A O no hydrogen 2.971 N/A LEU 44.A N ALA 40.A O no hydrogen 3.341 N/A TRP 45.A N THR 41.A O no hydrogen 3.043 N/A GLY 46.A N ALA 42.A O no hydrogen 3.339 N/A ALA 47.A N GLY 43.A O no hydrogen 3.111 N/A VAL 48.A N LEU 44.A O no hydrogen 2.901 N/A ILE 49.A N TRP 45.A O no hydrogen 2.831 N/A VAL 50.A N GLY 46.A O no hydrogen 2.692 N/A PHE 52.A N VAL 48.A O no hydrogen 2.770 N/A PHE 53.A N ILE 49.A O no hydrogen 3.209 N/A ALA 54.A N VAL 50.A O no hydrogen 3.172 N/A ALA 55.A N GLY 51.A O no hydrogen 2.945 N/A LEU 56.A N PHE 52.A O no hydrogen 2.646 N/A PHE 57.A N PHE 53.A O no hydrogen 2.694 N/A GLY 59.A N GLU 275.A OE1 no hydrogen 3.304 N/A THR 60.A OG1 GLU 275.A OE1 no hydrogen 2.494 N/A LEU 63.A N THR 60.A O no hydrogen 3.147 N/A ILE 64.A N THR 301.A OG1 no hydrogen 3.149 N/A GLU 66.A N ALA 295.A O no hydrogen 2.634 N/A THR 68.A OG1 ASP 254.A OD2 no hydrogen 3.425 N/A GLN 75.A N MET 71.A O no hydrogen 2.869 N/A GLN 75.A NE2 MET 71.A O no hydrogen 3.076 N/A GLN 75.A NE2 GLY 293.A O no hydrogen 3.182 N/A THR 76.A N THR 72.A O no hydrogen 2.739 N/A THR 76.A OG1 THR 72.A O no hydrogen 2.491 N/A ALA 77.A N VAL 73.A O no hydrogen 3.289 N/A VAL 78.A N VAL 74.A O no hydrogen 3.160 N/A ILE 79.A N GLN 75.A O no hydrogen 2.961 N/A ALA 80.A N THR 76.A O no hydrogen 3.151 N/A SER 81.A N ALA 77.A O no hydrogen 2.826 N/A SER 81.A OG VAL 78.A O no hydrogen 2.935 N/A LEU 82.A N VAL 78.A O no hydrogen 2.880 N/A VAL 83.A N ILE 79.A O no hydrogen 2.843 N/A ALA 84.A N ALA 80.A O no hydrogen 3.029 N/A ALA 85.A N SER 81.A O no hydrogen 3.136 N/A ASP 86.A N LEU 82.A O no hydrogen 3.017 N/A ASP 88.A N ASP 86.A OD1 no hydrogen 3.168 N/A ASN 89.A N ASP 86.A O no hydrogen 3.265 N/A GLY 90.A N ASP 86.A O no hydrogen 2.646 N/A MET 93.A N ASN 89.A O no hydrogen 2.658 N/A ALA 94.A N GLY 90.A O no hydrogen 2.831 N/A PHE 95.A N LEU 91.A O no hydrogen 2.795 N/A THR 96.A N ALA 92.A O no hydrogen 2.889 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.965 N/A THR 96.A OG1 PRO 230.A O no hydrogen 3.130 N/A VAL 97.A N MET 93.A O no hydrogen 2.898 N/A VAL 98.A N ALA 94.A O no hydrogen 2.975 N/A MET 99.A N PHE 95.A O no hydrogen 3.029 N/A MET 100.A N THR 96.A O no hydrogen 2.797 N/A ALA 101.A N VAL 97.A O no hydrogen 2.810 N/A GLY 102.A N VAL 98.A O no hydrogen 2.953 N/A LEU 103.A N MET 99.A O no hydrogen 3.012 N/A PHE 104.A N MET 100.A O no hydrogen 2.965 N/A GLN 105.A N ALA 101.A O no hydrogen 3.121 N/A GLN 105.A NE2 GLY 248.A O no hydrogen 3.542 N/A ILE 106.A N GLY 102.A O no hydrogen 3.172 N/A ALA 107.A N LEU 103.A O no hydrogen 2.985 N/A PHE 108.A N PHE 104.A O no hydrogen 2.850 N/A GLY 109.A N GLN 105.A O no hydrogen 3.005 N/A LEU 110.A N ILE 106.A O no hydrogen 2.752 N/A LEU 113.A N PHE 108.A O no hydrogen 3.100 N/A GLY 114.A N ASN 273.A OD1 no hydrogen 2.530 N/A TYR 116.A N LEU 113.A O no hydrogen 3.267 N/A THR 118.A OG1 LYS 115.A O no hydrogen 3.461 N/A MET 119.A N TYR 116.A O no hydrogen 3.308 N/A VAL 124.A N PRO 121.A O no hydrogen 2.945 N/A ILE 125.A N PRO 121.A O no hydrogen 3.219 N/A SER 126.A N TYR 122.A O no hydrogen 2.865 N/A SER 126.A OG ASP 354.A OD1 no hydrogen 2.567 N/A GLY 127.A N THR 123.A O no hydrogen 2.970 N/A PHE 128.A N VAL 124.A O no hydrogen 2.927 N/A MET 129.A N ILE 125.A O no hydrogen 2.941 N/A SER 130.A N SER 126.A O no hydrogen 3.095 N/A SER 130.A OG SER 126.A O no hydrogen 2.595 N/A GLY 131.A N GLY 127.A O no hydrogen 2.849 N/A ILE 132.A N PHE 128.A O no hydrogen 2.934 N/A GLY 133.A N MET 129.A O no hydrogen 3.059 N/A ILE 134.A N SER 130.A O no hydrogen 3.413 N/A LEU 136.A N ILE 132.A O no hydrogen 3.215 N/A VAL 137.A N GLY 133.A O no hydrogen 3.056 N/A ILE 138.A N ILE 134.A O no hydrogen 3.066 N/A LEU 139.A N ILE 135.A O no hydrogen 2.928 N/A GLN 140.A N LEU 136.A O no hydrogen 3.255 N/A GLN 140.A NE2 LEU 136.A O no hydrogen 3.582 N/A LEU 141.A N VAL 137.A O no hydrogen 2.955 N/A PHE 144.A N GLN 140.A O no hydrogen 2.714 N/A LEU 145.A N LEU 141.A O no hydrogen 3.230 N/A GLY 146.A N PRO 143.A O no hydrogen 3.238 N/A GLN 147.A NE2 LEU 145.A O no hydrogen 3.017 N/A VAL 154.A N THR 157.A OG1 no hydrogen 2.867 N/A GLN 159.A N ILE 155.A O no hydrogen 2.758 N/A ALA 160.A N GLY 156.A O no hydrogen 2.886 N/A LEU 164.A N ALA 160.A O no hydrogen 3.228 N/A VAL 165.A N PRO 162.A O no hydrogen 2.705 N/A SER 166.A N ASN 163.A O no hydrogen 3.447 N/A ASN 167.A N ASN 163.A O no hydrogen 3.242 N/A ARG 169.A N LEU 145.A O no hydrogen 2.884 N/A ARG 169.A NH1 LEU 212.A O no hydrogen 2.051 N/A THR 173.A N ARG 169.A O no hydrogen 3.245 N/A THR 173.A OG1 ARG 169.A O no hydrogen 3.083 N/A THR 173.A OG1 PRO 170.A O no hydrogen 2.380 N/A LEU 174.A N PRO 170.A O no hydrogen 2.918 N/A LEU 175.A N VAL 171.A O no hydrogen 2.604 N/A ALA 176.A N GLU 172.A O no hydrogen 2.578 N/A LEU 177.A N THR 173.A O no hydrogen 2.742 N/A MET 178.A N LEU 174.A O no hydrogen 2.842 N/A THR 179.A N LEU 175.A O no hydrogen 2.980 N/A THR 179.A OG1 LEU 175.A O no hydrogen 2.903 N/A VAL 180.A N ALA 176.A O no hydrogen 3.194 N/A GLY 181.A N LEU 177.A O no hydrogen 2.863 N/A ILE 182.A N MET 178.A O no hydrogen 2.919 N/A ILE 183.A N THR 179.A O no hydrogen 3.073 N/A TRP 184.A N VAL 180.A O no hydrogen 2.738 N/A PHE 185.A N GLY 181.A O no hydrogen 3.067 N/A LYS 189.A NZ PRO 187.A O no hydrogen 3.368 N/A VAL 196.A N PRO 192.A O no hydrogen 3.006 N/A ALA 197.A N PRO 193.A O no hydrogen 2.565 N/A LEU 198.A N GLN 194.A O no hydrogen 2.832 N/A VAL 199.A N LEU 195.A O no hydrogen 3.045 N/A LEU 200.A N VAL 196.A O no hydrogen 2.905 N/A GLY 201.A N ALA 197.A O no hydrogen 2.965 N/A THR 202.A N LEU 198.A O no hydrogen 3.190 N/A THR 202.A OG1 VAL 199.A O no hydrogen 2.579 N/A ILE 203.A N VAL 199.A O no hydrogen 3.119 N/A ILE 204.A N LEU 200.A O no hydrogen 2.519 N/A SER 205.A N THR 202.A O no hydrogen 2.752 N/A ILE 206.A N ILE 203.A O no hydrogen 2.532 N/A THR 207.A N ILE 204.A O no hydrogen 2.778 N/A LEU 208.A N ILE 204.A O no hydrogen 2.983 N/A ILE 214.A N GLU 172.A OE2 no hydrogen 3.144 N/A ARG 215.A NE THR 335.A O no hydrogen 2.470 N/A ARG 215.A NH2 THR 335.A O no hydrogen 3.304 N/A ARG 216.A N ILE 336.A O no hydrogen 2.753 N/A LEU 227.A N LEU 288.A O no hydrogen 3.090 N/A MET 240.A N GLN 236.A O no hydrogen 2.896 N/A LEU 241.A N LEU 237.A O no hydrogen 3.135 N/A ILE 242.A N GLN 238.A O no hydrogen 3.440 N/A ASP 243.A N ARG 239.A O no hydrogen 3.127 N/A ALA 244.A N MET 240.A O no hydrogen 2.583 N/A ALA 245.A N LEU 241.A O no hydrogen 2.640 N/A VAL 246.A N ILE 242.A O no hydrogen 3.026 N/A LEU 247.A N ASP 243.A O no hydrogen 2.999 N/A GLY 248.A N ALA 244.A O no hydrogen 3.013 N/A MET 249.A N ALA 245.A O no hydrogen 2.959 N/A LEU 250.A N VAL 246.A O no hydrogen 2.636 N/A GLY 251.A N LEU 247.A O no hydrogen 2.801 N/A CYS 252.A N MET 249.A O no hydrogen 2.870 N/A CYS 252.A SG GLY 248.A O no hydrogen 3.360 N/A ILE 253.A N MET 249.A O no hydrogen 3.090 N/A ASP 254.A N LEU 250.A O no hydrogen 2.956 N/A ALA 255.A N GLY 251.A O no hydrogen 3.286 N/A LEU 256.A N CYS 252.A O no hydrogen 2.859 N/A LEU 257.A N ILE 253.A O no hydrogen 3.080 N/A THR 258.A OG1 ASP 254.A O no hydrogen 2.839 N/A THR 258.A OG1 GLY 296.A O no hydrogen 3.240 N/A THR 258.A OG1 THR 298.A OG1 no hydrogen 2.847 N/A SER 259.A N ALA 255.A O no hydrogen 3.298 N/A SER 259.A OG ALA 255.A O no hydrogen 2.784 N/A SER 259.A OG LEU 256.A O no hydrogen 2.217 N/A VAL 260.A N LEU 256.A O no hydrogen 3.112 N/A VAL 260.A N LEU 257.A O no hydrogen 3.285 N/A ALA 262.A N THR 258.A O no hydrogen 2.794 N/A ASP 263.A N SER 259.A O no hydrogen 3.167 N/A SER 264.A N VAL 260.A O no hydrogen 2.993 N/A SER 264.A OG VAL 260.A O no hydrogen 3.155 N/A LEU 265.A N VAL 261.A O no hydrogen 3.256 N/A THR 266.A N ASP 263.A O no hydrogen 3.109 N/A THR 266.A OG1 ALA 262.A O no hydrogen 2.455 N/A THR 266.A OG1 ASP 263.A O no hydrogen 2.995 N/A THR 266.A OG1 THR 268.A OG1 no hydrogen 2.805 N/A ARG 267.A N ASP 263.A O no hydrogen 3.039 N/A THR 268.A OG1 THR 266.A OG1 no hydrogen 2.805 N/A HIS 270.A ND1 ASP 263.A OD1 no hydrogen 2.938 N/A HIS 270.A ND1 ASP 263.A OD2 no hydrogen 2.882 N/A ASN 271.A N GLY 59.A O no hydrogen 3.117 N/A LYS 274.A N ASN 271.A OD1 no hydrogen 3.307 N/A LYS 274.A NZ ILE 2.A O no hydrogen 3.316 N/A LYS 274.A NZ PHE 57.A O no hydrogen 3.179 N/A GLU 275.A N ASN 271.A O no hydrogen 3.021 N/A LEU 276.A N SER 272.A O no hydrogen 2.914 N/A VAL 277.A N ASN 273.A O no hydrogen 3.090 N/A GLY 278.A N LYS 274.A O no hydrogen 2.887 N/A GLN 279.A N GLU 275.A O no hydrogen 2.696 N/A GLN 279.A NE2 SER 65.A OG no hydrogen 3.369 N/A GLN 279.A NE2 GLU 275.A OE2 no hydrogen 2.975 N/A GLY 280.A N LEU 276.A O no hydrogen 2.858 N/A ILE 281.A N VAL 277.A O no hydrogen 2.969 N/A GLY 282.A N GLY 278.A O no hydrogen 2.968 N/A ASN 283.A N GLN 279.A O no hydrogen 2.839 N/A ASN 283.A ND2 GLN 105.A OE1 no hydrogen 2.868 N/A ASN 283.A ND2 GLY 294.A O no hydrogen 3.323 N/A VAL 284.A N GLY 280.A O no hydrogen 2.751 N/A MET 285.A N ILE 281.A O no hydrogen 2.892 N/A SER 286.A N GLY 282.A O no hydrogen 3.048 N/A SER 286.A OG LEU 292.A O no hydrogen 2.861 N/A GLY 287.A N ASN 283.A O no hydrogen 2.854 N/A LEU 288.A N VAL 284.A O no hydrogen 3.023 N/A PHE 289.A N SER 286.A O no hydrogen 3.153 N/A GLY 290.A N GLY 287.A O no hydrogen 3.364 N/A GLY 291.A N SER 286.A O no hydrogen 2.500 N/A LEU 292.A N ALA 42.A O no hydrogen 2.990 N/A GLY 293.A N GLN 75.A OE1 no hydrogen 2.517 N/A GLY 294.A N ASN 283.A OD1 no hydrogen 2.821 N/A ALA 295.A N GLU 66.A O no hydrogen 3.199 N/A ALA 297.A N ILE 64.A O no hydrogen 2.817 N/A THR 298.A N THR 301.A OG1 no hydrogen 3.287 N/A THR 298.A OG1 THR 258.A OG1 no hydrogen 2.847 N/A THR 301.A OG1 ILE 64.A O no hydrogen 3.421 N/A VAL 303.A N MET 299.A O no hydrogen 3.299 N/A ASN 304.A N GLY 300.A O no hydrogen 3.329 N/A ASN 304.A ND2 THR 62.A O no hydrogen 3.124 N/A ILE 305.A N THR 301.A O no hydrogen 3.099 N/A ILE 305.A N VAL 302.A O no hydrogen 3.062 N/A GLN 306.A N VAL 302.A O no hydrogen 2.993 N/A SER 307.A N VAL 303.A O no hydrogen 3.030 N/A SER 307.A OG PHE 16.A O no hydrogen 3.311 N/A SER 307.A OG THR 20.A OG1 no hydrogen 2.626 N/A SER 307.A OG VAL 303.A O no hydrogen 3.385 N/A GLY 308.A N ILE 305.A O no hydrogen 2.539 N/A GLY 309.A N ASN 304.A O no hydrogen 2.813 N/A ARG 310.A N ASP 14.A OD1 no hydrogen 2.956 N/A ARG 310.A NH1 ILE 305.A O no hydrogen 2.842 N/A ARG 310.A NH1 GLY 309.A O no hydrogen 2.355 N/A ARG 310.A NH2 ILE 305.A O no hydrogen 3.494 N/A THR 311.A N ASP 14.A OD1 no hydrogen 3.069 N/A THR 311.A OG1 HIS 7.A NE2 no hydrogen 3.099 N/A ALA 312.A N LYS 5.A O no hydrogen 2.702 N/A SER 314.A N THR 311.A O no hydrogen 2.935 N/A SER 314.A OG ASP 14.A OD1 no hydrogen 3.077 N/A SER 314.A OG THR 311.A O no hydrogen 2.315 N/A LEU 316.A N ALA 312.A O no hydrogen 3.075 N/A ILE 317.A N LEU 313.A O no hydrogen 2.821 N/A ARG 318.A N SER 314.A O no hydrogen 2.810 N/A ARG 318.A NH1 ALA 47.A O no hydrogen 2.996 N/A ARG 318.A NH2 ALA 47.A O no hydrogen 2.997 N/A ARG 318.A NH2 GLU 66.A OE1 no hydrogen 2.375 N/A ALA 319.A N GLY 315.A O no hydrogen 2.975 N/A MET 320.A N LEU 316.A O no hydrogen 3.084 N/A VAL 321.A N ILE 317.A O no hydrogen 2.859 N/A LEU 322.A N ARG 318.A O no hydrogen 2.961 N/A LEU 323.A N ALA 319.A O no hydrogen 3.081 N/A VAL 324.A N MET 320.A O no hydrogen 3.104 N/A VAL 325.A N VAL 321.A O no hydrogen 2.986 N/A ILE 326.A N LEU 322.A O no hydrogen 2.835 N/A LEU 327.A N LEU 323.A O no hydrogen 3.150 N/A GLY 328.A N VAL 324.A O no hydrogen 2.773 N/A ALA 329.A N VAL 325.A O no hydrogen 2.822 N/A LEU 332.A N ALA 329.A O no hydrogen 3.116 N/A THR 335.A N LEU 332.A O no hydrogen 3.102 N/A THR 335.A OG1 LEU 332.A O no hydrogen 3.003 N/A ILE 336.A N ALA 333.A O no hydrogen 2.897 N/A LEU 338.A N ILE 214.A O no hydrogen 2.851 N/A ALA 342.A N LEU 338.A O no hydrogen 2.855 N/A GLY 343.A N ALA 339.A O no hydrogen 2.786 N/A ILE 344.A N VAL 340.A O no hydrogen 2.989 N/A ALA 345.A N LEU 341.A O no hydrogen 2.719 N/A PHE 346.A N ALA 342.A O no hydrogen 2.578 N/A LYS 347.A N GLY 343.A O no hydrogen 3.022 N/A VAL 348.A N ILE 344.A O no hydrogen 3.032 N/A GLY 349.A N ALA 345.A O no hydrogen 2.915 N/A VAL 350.A N PHE 346.A O no hydrogen 2.816 N/A ASP 351.A N LYS 347.A O no hydrogen 2.590 N/A ILE 352.A N VAL 348.A O no hydrogen 3.060 N/A ILE 353.A N GLY 349.A O no hydrogen 3.215 N/A ASP 354.A N SER 130.A OG no hydrogen 3.265 N/A LYS 363.A N SER 361.A OG no hydrogen 2.953 N/A ALA 365.A N SER 361.A O no hydrogen 3.322 N/A LEU 366.A N LYS 363.A O no hydrogen 2.858 N/A ILE 367.A N LYS 363.A O no hydrogen 3.030 N/A MET 368.A N GLY 364.A O no hydrogen 3.092 N/A TYR 369.A N ALA 365.A O no hydrogen 3.346 N/A ALA 370.A N LEU 366.A O no hydrogen 2.941 N/A VAL 371.A N ILE 367.A O no hydrogen 2.713 N/A ILE 372.A N MET 368.A O no hydrogen 2.792 N/A VAL 373.A N TYR 369.A O no hydrogen 2.896 N/A LEU 374.A N ALA 370.A O no hydrogen 2.565 N/A THR 375.A N VAL 371.A O no hydrogen 2.835 N/A THR 375.A N ILE 372.A O no hydrogen 2.883 N/A THR 375.A OG1 VAL 371.A O no hydrogen 2.186 N/A VAL 376.A N ILE 372.A O no hydrogen 3.054 N/A VAL 376.A N VAL 373.A O no hydrogen 3.310 N/A LEU 377.A N VAL 373.A O no hydrogen 2.989 N/A VAL 378.A N LEU 374.A O no hydrogen 2.988 N/A LEU 380.A N VAL 376.A O no hydrogen 2.891 N/A ILE 381.A N LEU 377.A O no hydrogen 2.785 N/A ALA 382.A N VAL 378.A O no hydrogen 2.684 N/A ALA 383.A N ASP 379.A O no hydrogen 3.516 N/A