Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jjg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 139.A OD1 no hydrogen 2.919 N/A LYS 2.A NZ ALA 134.A O no hydrogen 3.135 N/A LYS 2.A NZ ALA 136.A O no hydrogen 2.375 N/A LEU 3.A N GLU 58.A O no hydrogen 2.917 N/A ALA 4.A N PHE 140.A O no hydrogen 2.958 N/A ILE 5.A N VAL 60.A O no hydrogen 2.715 N/A LEU 6.A N MET 142.A O no hydrogen 2.729 N/A GLY 7.A N ALA 62.A O no hydrogen 2.978 N/A ALA 8.A N ASP 63.A OD2 no hydrogen 2.758 N/A TYR 11.A N ILE 115.A O no hydrogen 3.149 N/A ARG 12.A NH1 LEU 107.A O no hydrogen 2.841 N/A ARG 12.A NH2 PRO 108.A O no hydrogen 2.748 N/A HIS 14.A ND1 GLU 209.A OE2 no hydrogen 2.608 N/A ALA 15.A N TYR 11.A O no hydrogen 3.090 N/A ALA 16.A N ARG 12.A O no hydrogen 2.791 N/A SER 17.A N THR 13.A O no hydrogen 3.209 N/A SER 17.A N HIS 14.A O no hydrogen 3.265 N/A SER 17.A OG HIS 14.A O no hydrogen 2.853 N/A GLY 18.A N ALA 15.A O no hydrogen 2.931 N/A ILE 19.A N SER 17.A OG no hydrogen 3.392 N/A PHE 22.A N HIS 85.A NE2 no hydrogen 2.927 N/A SER 23.A N ASN 21.A OD1 no hydrogen 2.873 N/A ARG 24.A NE GLU 27.A OE1 no hydrogen 3.158 N/A ARG 24.A NH1 GLU 49.A OE2 no hydrogen 3.361 N/A ARG 24.A NH2 GLU 27.A OE1 no hydrogen 2.937 N/A ALA 25.A N GLU 209.A O no hydrogen 2.846 N/A CYS 26.A N PHE 22.A O no hydrogen 2.763 N/A CYS 26.A SG PHE 22.A O no hydrogen 3.491 N/A GLU 27.A N SER 23.A O no hydrogen 2.956 N/A VAL 28.A N ARG 24.A O no hydrogen 3.022 N/A ALA 29.A N ALA 25.A O no hydrogen 3.058 N/A GLU 30.A N CYS 26.A O no hydrogen 3.218 N/A GLU 30.A N GLU 27.A O no hydrogen 3.138 N/A MET 31.A N GLU 27.A O no hydrogen 3.008 N/A VAL 32.A N VAL 28.A O no hydrogen 3.034 N/A GLY 33.A N GLU 30.A O no hydrogen 3.105 N/A LYS 34.A N ALA 29.A O no hydrogen 2.761 N/A LYS 34.A NZ GLU 52.A OE2 no hydrogen 3.286 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.809 N/A ILE 37.A N LYS 34.A O no hydrogen 3.002 N/A ALA 38.A N PRO 35.A O no hydrogen 2.912 N/A THR 40.A N ILE 37.A O no hydrogen 3.146 N/A THR 40.A OG1 ILE 37.A O no hydrogen 2.598 N/A THR 40.A OG1 THR 45.A OG1 no hydrogen 3.149 N/A HIS 41.A ND1 SER 42.A OG no hydrogen 2.945 N/A HIS 41.A NE2 ILE 115.A O no hydrogen 2.973 N/A SER 42.A N GLU 209.A OE1 no hydrogen 3.067 N/A SER 42.A OG HIS 41.A ND1 no hydrogen 2.945 N/A THR 43.A OG1 GLY 7.A O no hydrogen 3.519 N/A ILE 44.A N HIS 41.A O no hydrogen 3.013 N/A THR 45.A N HIS 41.A O no hydrogen 3.307 N/A THR 45.A OG1 THR 40.A OG1 no hydrogen 3.149 N/A MET 46.A N SER 42.A O no hydrogen 3.281 N/A GLY 47.A N THR 43.A O no hydrogen 2.816 N/A ALA 48.A N ILE 44.A O no hydrogen 2.968 N/A GLU 49.A N THR 45.A O no hydrogen 3.060 N/A LEU 50.A N MET 46.A O no hydrogen 3.034 N/A LYS 51.A N GLY 47.A O no hydrogen 3.018 N/A LYS 51.A NZ LEU 123.A O no hydrogen 2.941 N/A GLU 52.A N ALA 48.A O no hydrogen 2.749 N/A LEU 53.A N GLU 49.A O no hydrogen 2.686 N/A ALA 54.A N LEU 50.A O no hydrogen 3.251 N/A VAL 56.A N LEU 50.A O no hydrogen 2.991 N/A VAL 60.A N LEU 3.A O no hydrogen 2.887 N/A VAL 61.A N GLU 126.A O no hydrogen 2.872 N/A ALA 62.A N ILE 5.A O no hydrogen 2.891 N/A ASP 63.A N THR 128.A O no hydrogen 3.280 N/A VAL 65.A N ASP 63.A OD1 no hydrogen 3.011 N/A PHE 66.A N ASP 63.A O no hydrogen 3.246 N/A ASP 67.A N PRO 64.A O no hydrogen 3.202 N/A ASN 68.A N VAL 65.A O no hydrogen 2.768 N/A ASN 68.A ND2 PRO 111.A O no hydrogen 2.947 N/A GLN 69.A N GLU 112.A O no hydrogen 2.973 N/A THR 71.A N ALA 114.A O no hydrogen 2.830 N/A THR 71.A OG1 ALA 114.A O no hydrogen 3.065 N/A ILE 73.A N HIS 116.A O no hydrogen 2.757 N/A TYR 78.A OH PHE 117.A O no hydrogen 2.937 N/A ASP 80.A N ALA 77.A O no hydrogen 3.004 N/A VAL 81.A N ALA 77.A O no hydrogen 3.362 N/A ILE 82.A N TYR 78.A O no hydrogen 2.942 N/A GLU 83.A N GLU 79.A O no hydrogen 2.855 N/A ALA 84.A N ASP 80.A O no hydrogen 2.940 N/A HIS 85.A N VAL 81.A O no hydrogen 3.026 N/A HIS 85.A N ILE 82.A O no hydrogen 3.061 N/A HIS 85.A ND1 VAL 81.A O no hydrogen 2.855 N/A LYS 86.A N GLU 83.A O no hydrogen 3.175 N/A LYS 86.A NZ GLU 83.A OE2 no hydrogen 2.670 N/A ASP 88.A N ALA 84.A O no hydrogen 3.135 N/A GLU 90.A N ASP 88.A OD2 no hydrogen 3.176 N/A LYS 91.A N ASP 88.A O no hydrogen 3.183 N/A ILE 92.A N PRO 89.A O no hydrogen 3.069 N/A MET 93.A N PRO 89.A O no hydrogen 2.976 N/A GLN 95.A NE2 LYS 91.A O no hydrogen 3.509 N/A ILE 96.A N ILE 92.A O no hydrogen 3.218 N/A ARG 97.A N MET 93.A O no hydrogen 2.817 N/A ARG 97.A NH2 GLU 90.A OE1 no hydrogen 3.316 N/A GLU 98.A N PRO 94.A O no hydrogen 3.004 N/A LYS 99.A N GLN 95.A O no hydrogen 3.161 N/A LYS 99.A NZ ASP 75.A OD1 no hydrogen 3.319 N/A VAL 100.A N ILE 96.A O no hydrogen 3.032 N/A ASN 101.A N ARG 97.A O no hydrogen 2.669 N/A GLU 102.A N GLU 98.A O no hydrogen 3.027 N/A VAL 103.A N LYS 99.A O no hydrogen 3.167 N/A ALA 104.A N VAL 100.A O no hydrogen 2.751 N/A LYS 105.A N ASN 101.A O no hydrogen 3.072 N/A LEU 107.A N ALA 104.A O no hydrogen 3.309 N/A GLU 112.A N LYS 109.A O no hydrogen 3.102 N/A GLY 113.A N LYS 109.A O no hydrogen 3.143 N/A ALA 114.A N GLN 69.A O no hydrogen 3.310 N/A HIS 116.A N THR 71.A O no hydrogen 2.931 N/A HIS 116.A NE2 GLY 9.A O no hydrogen 2.615 N/A THR 118.A OG1 GLU 36.A O no hydrogen 3.509 N/A ASP 122.A N HIS 119.A O no hydrogen 2.930 N/A LEU 123.A N PRO 120.A O no hydrogen 2.826 N/A GLY 124.A N GLU 121.A O no hydrogen 3.246 N/A GLU 126.A N VAL 59.A O no hydrogen 3.145 N/A THR 128.A N VAL 61.A O no hydrogen 2.990 N/A ASP 130.A N THR 128.A OG1 no hydrogen 3.344 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 3.108 N/A ARG 132.A NE ASP 161.A OD2 no hydrogen 2.723 N/A ARG 132.A NH2 ASP 161.A OD1 no hydrogen 3.247 N/A ARG 132.A NH2 ASP 161.A OD2 no hydrogen 3.513 N/A ALA 134.A N ASP 130.A O no hydrogen 3.260 N/A VAL 135.A N ASP 131.A O no hydrogen 3.035 N/A ALA 138.A N VAL 135.A O no hydrogen 2.751 N/A ASP 139.A N LYS 2.A O no hydrogen 2.868 N/A PHE 140.A N LYS 2.A O no hydrogen 3.230 N/A ILE 141.A N ILE 167.A O no hydrogen 2.561 N/A MET 142.A N ALA 4.A O no hydrogen 2.920 N/A THR 143.A N THR 169.A O no hydrogen 2.925 N/A THR 143.A OG1 THR 169.A O no hydrogen 2.460 N/A TRP 144.A N LEU 6.A O no hydrogen 2.695 N/A GLN 151.A NE2 PRO 146.A O no hydrogen 2.946 N/A GLN 151.A NE2 THR 173.A OG1 no hydrogen 3.352 N/A ILE 154.A N MET 150.A O no hydrogen 2.795 N/A ILE 155.A N GLN 151.A O no hydrogen 2.909 N/A ASN 156.A N PRO 152.A O no hydrogen 2.920 N/A PHE 158.A N ILE 155.A O no hydrogen 3.045 N/A ILE 159.A N ILE 155.A O no hydrogen 2.900 N/A ASP 161.A N PHE 158.A O no hydrogen 2.780 N/A ILE 162.A N ILE 159.A O no hydrogen 3.175 N/A LYS 163.A NZ ASP 137.A O no hydrogen 3.313 N/A LYS 163.A NZ ASP 139.A OD2 no hydrogen 2.907 N/A GLY 165.A N THR 196.A OG1 no hydrogen 3.117 N/A ALA 166.A N LYS 163.A O no hydrogen 3.199 N/A ILE 167.A N ASP 139.A O no hydrogen 2.707 N/A VAL 168.A N ASN 198.A O no hydrogen 2.890 N/A THR 169.A N ILE 141.A O no hydrogen 2.635 N/A THR 169.A OG1 ILE 141.A O no hydrogen 3.479 N/A HIS 170.A N THR 200.A O no hydrogen 3.113 N/A HIS 170.A ND1 ALA 171.A O no hydrogen 2.967 N/A HIS 170.A NE2 THR 176.A OG1 no hydrogen 2.833 N/A THR 173.A OG1 PHE 145.A O no hydrogen 2.428 N/A THR 176.A OG1 HIS 170.A NE2 no hydrogen 2.833 N/A PHE 179.A N PRO 175.A O no hydrogen 2.982 N/A TYR 180.A N THR 176.A O no hydrogen 2.664 N/A LYS 181.A N THR 177.A O no hydrogen 3.087 N/A ILE 182.A N PHE 179.A O no hydrogen 3.234 N/A GLU 184.A N TYR 180.A O no hydrogen 2.909 N/A GLN 185.A N LYS 181.A O no hydrogen 3.056 N/A LYS 186.A N PHE 183.A O no hydrogen 2.957 N/A HIS 187.A N GLU 184.A O no hydrogen 2.929 N/A THR 192.A OG1 ASP 189.A OD1 no hydrogen 2.610 N/A GLU 195.A N GLU 195.A OE2 no hydrogen 2.614 N/A THR 196.A N LYS 193.A O no hydrogen 3.052 N/A THR 196.A OG1 LYS 193.A O no hydrogen 2.740 N/A LEU 197.A N PRO 194.A O no hydrogen 3.042 N/A ASN 198.A N ALA 166.A O no hydrogen 2.893 N/A ASN 198.A ND2 GLY 165.A O no hydrogen 3.002 N/A THR 200.A N VAL 168.A O no hydrogen 3.102 N/A THR 200.A OG1 ALA 217.A O no hydrogen 2.736 N/A SER 201.A N THR 200.A OG1 no hydrogen 2.551 N/A SER 201.A OG TYR 215.A O no hydrogen 2.589 N/A TYR 202.A N HIS 170.A O no hydrogen 2.854 N/A HIS 203.A N TYR 215.A O no hydrogen 3.134 N/A GLY 205.A N HIS 203.A ND1 no hydrogen 2.992 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.799 N/A MET 210.A N VAL 207.A O no hydrogen 3.040 N/A LYS 211.A N VAL 207.A O no hydrogen 3.363 N/A GLN 213.A NE2 PRO 204.A O no hydrogen 2.793 N/A VAL 214.A N ASN 239.A O no hydrogen 2.829 N/A TYR 215.A N HIS 203.A O no hydrogen 2.712 N/A ILE 216.A N TYR 241.A O no hydrogen 2.664 N/A ALA 217.A N SER 201.A OG no hydrogen 2.855 N/A GLU 218.A N LEU 243.A O no hydrogen 2.683 N/A SER 222.A N ASN 198.A OD1 no hydrogen 2.874 N/A SER 222.A OG ASN 198.A OD1 no hydrogen 3.211 N/A ALA 225.A N SER 222.A OG no hydrogen 3.174 N/A ILE 226.A N SER 222.A O no hydrogen 2.873 N/A GLU 227.A N GLU 223.A O no hydrogen 2.855 N/A THR 228.A N ASP 224.A O no hydrogen 2.918 N/A THR 228.A OG1 ASP 224.A O no hydrogen 3.011 N/A LEU 229.A N ALA 225.A O no hydrogen 3.094 N/A PHE 230.A N ILE 226.A O no hydrogen 2.914 N/A GLU 231.A N GLU 227.A O no hydrogen 2.989 N/A LEU 232.A N THR 228.A O no hydrogen 3.034 N/A GLY 233.A N LEU 229.A O no hydrogen 2.751 N/A GLN 234.A N PHE 230.A O no hydrogen 2.889 N/A LYS 235.A N GLU 231.A O no hydrogen 3.152 N/A ALA 236.A N LEU 232.A O no hydrogen 2.821 N/A ARG 237.A N GLY 233.A O no hydrogen 2.715 N/A ARG 237.A NE GLU 49.A OE1 no hydrogen 2.628 N/A ARG 237.A NH1 LYS 211.A O no hydrogen 2.698 N/A ARG 237.A NH1 GLN 213.A O no hydrogen 2.832 N/A ARG 237.A NH2 GLU 49.A OE1 no hydrogen 3.378 N/A ARG 237.A NH2 GLU 49.A OE2 no hydrogen 2.820 N/A ARG 237.A NH2 PRO 208.A O no hydrogen 2.904 N/A ARG 237.A NH2 LYS 211.A O no hydrogen 3.128 N/A GLY 238.A N GLN 234.A O no hydrogen 2.731 N/A ASN 239.A ND2 GLY 212.A O no hydrogen 3.132 N/A TYR 241.A N VAL 214.A O no hydrogen 2.768 N/A ARG 242.A NH1 GLU 223.A OE2 no hydrogen 3.321 N/A ARG 242.A NH2 GLU 223.A OE2 no hydrogen 2.983 N/A LEU 243.A N ILE 216.A O no hydrogen 3.027 N/A ALA 245.A N GLU 218.A O no hydrogen 2.617 N/A LEU 247.A N PRO 244.A O no hydrogen 2.760 N/A LEU 248.A N ALA 245.A O no hydrogen 3.267 N/A VAL 251.A N LEU 247.A O no hydrogen 2.811 N/A VAL 251.A N LEU 248.A O no hydrogen 3.195 N/A CYS 252.A N LEU 248.A O no hydrogen 2.726 N/A ASP 253.A N GLY 249.A O no hydrogen 2.741 N/A CYS 255.A SG GLY 249.A O no hydrogen 3.375 N/A CYS 255.A SG PRO 250.A O no hydrogen 3.713 N/A SER 256.A N ASP 253.A O no hydrogen 2.935 N/A SER 256.A OG ASP 253.A O no hydrogen 3.077 N/A LEU 258.A N CYS 255.A O no hydrogen 2.823 N/A THR 259.A N CYS 255.A O no hydrogen 3.037 N/A THR 259.A OG1 PRO 250.A O no hydrogen 2.598 N/A THR 259.A OG1 CYS 255.A O no hydrogen 3.434 N/A ALA 260.A N SER 256.A O no hydrogen 2.767 N/A ILE 261.A N ALA 257.A O no hydrogen 3.086 N/A THR 262.A N LEU 258.A O no hydrogen 2.961 N/A TYR 263.A N THR 259.A O no hydrogen 2.968 N/A ALA 264.A N ALA 260.A O no hydrogen 3.048 N/A GLY 265.A N ILE 261.A O no hydrogen 2.813 N/A ILE 266.A N THR 262.A O no hydrogen 2.830 N/A LEU 267.A N TYR 263.A O no hydrogen 2.897 N/A SER 268.A N ALA 264.A O no hydrogen 2.914 N/A SER 268.A OG ALA 264.A O no hydrogen 2.709 N/A TYR 269.A N GLY 265.A O no hydrogen 2.812 N/A ARG 270.A N ILE 266.A O no hydrogen 2.787 N/A ARG 270.A NE ASP 271.A OD2 no hydrogen 2.873 N/A ARG 270.A NH2 ASP 271.A OD2 no hydrogen 2.966 N/A ASP 271.A N LEU 267.A O no hydrogen 3.050 N/A SER 272.A N SER 268.A O no hydrogen 2.987 N/A SER 272.A OG TYR 269.A O no hydrogen 3.219 N/A SER 272.A OG SER 328.A OG no hydrogen 3.377 N/A VAL 273.A N TYR 269.A O no hydrogen 3.149 N/A THR 274.A N ARG 270.A O no hydrogen 2.828 N/A THR 274.A OG1 ARG 270.A O no hydrogen 3.300 N/A THR 274.A OG1 ASP 271.A O no hydrogen 3.432 N/A GLN 275.A N ASP 271.A O no hydrogen 2.751 N/A VAL 276.A N SER 272.A O no hydrogen 3.182 N/A LEU 277.A N VAL 273.A O no hydrogen 3.030 N/A GLY 278.A N THR 274.A O no hydrogen 2.999 N/A PHE 283.A N PRO 280.A O no hydrogen 2.955 N/A GLN 285.A N ALA 281.A O no hydrogen 2.869 N/A MET 286.A N SER 282.A O no hydrogen 2.930 N/A MET 287.A N PHE 283.A O no hydrogen 3.448 N/A ALA 288.A N ALA 284.A O no hydrogen 2.882 N/A LYS 289.A N GLN 285.A O no hydrogen 2.780 N/A LYS 289.A NZ GLU 293.A OE2 no hydrogen 3.247 N/A GLU 290.A N MET 286.A O no hydrogen 3.323 N/A SER 291.A N MET 287.A O no hydrogen 3.020 N/A LEU 292.A N ALA 288.A O no hydrogen 2.905 N/A GLU 293.A N LYS 289.A O no hydrogen 2.866 N/A GLN 294.A N GLU 290.A O no hydrogen 2.940 N/A GLN 294.A NE2 GLU 290.A OE2 no hydrogen 2.777 N/A ILE 295.A N SER 291.A O no hydrogen 3.006 N/A THR 296.A N LEU 292.A O no hydrogen 3.193 N/A THR 296.A OG1 LEU 292.A O no hydrogen 2.607 N/A ALA 297.A N GLU 293.A O no hydrogen 2.762 N/A LEU 298.A N GLN 294.A O no hydrogen 2.919 N/A MET 299.A N ILE 295.A O no hydrogen 3.096 N/A GLU 300.A N THR 296.A O no hydrogen 3.077 N/A LYS 301.A N ALA 297.A O no hydrogen 2.959 N/A VAL 302.A N LEU 298.A O no hydrogen 3.044 N/A GLY 303.A N MET 299.A O no hydrogen 3.024 N/A LYS 306.A N GLY 303.A O no hydrogen 2.819 N/A GLU 308.A N GLU 308.A OE1 no hydrogen 3.035 N/A ASN 310.A N MET 307.A O no hydrogen 2.868 N/A LEU 311.A N MET 307.A O no hydrogen 2.734 N/A GLY 314.A N ASP 312.A OD2 no hydrogen 2.811 N/A ALA 315.A N ASP 312.A O no hydrogen 2.691 N/A LEU 316.A N PRO 313.A O no hydrogen 3.360 N/A LEU 317.A N GLY 314.A O no hydrogen 3.186 N/A THR 319.A OG1 LEU 316.A O no hydrogen 3.443 N/A ALA 320.A N LEU 316.A O no hydrogen 3.083 N/A SER 322.A N THR 319.A O no hydrogen 3.444 N/A SER 322.A OG THR 319.A O no hydrogen 2.825 N/A MET 323.A N ALA 320.A O no hydrogen 2.801 N/A ASN 324.A N ASP 321.A O no hydrogen 3.284 N/A PHE 325.A N MET 323.A O no hydrogen 2.872 N/A SER 328.A OG SER 272.A OG no hydrogen 3.377 N/A ALA 329.A N PHE 325.A O no hydrogen 3.392 N/A ALA 329.A N GLY 326.A O no hydrogen 2.843 N/A GLU 330.A N ALA 327.A O no hydrogen 2.803 N/A ILE 331.A N SER 328.A O no hydrogen 2.923 N/A LEU 332.A N SER 328.A O no hydrogen 2.824 N/A VAL 335.A N ILE 331.A O no hydrogen 3.272 N/A PHE 336.A N LEU 332.A O no hydrogen 2.824 N/A GLU 337.A N PRO 333.A O no hydrogen 3.101 N/A ILE 338.A N THR 334.A O no hydrogen 3.119 N/A LEU 339.A N VAL 335.A O no hydrogen 2.968 N/A GLU 340.A N PHE 336.A O no hydrogen 3.056 N/A LYS 341.A N GLU 337.A O no hydrogen 3.321 N/A ARG 342.A N LEU 339.A O no hydrogen 2.972 N/A LYS 343.A NZ GLU 340.A OE2 no hydrogen 2.466 N/A LYS 344.A N ASP 312.A OD2 no hydrogen 3.069 N/A