Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dle_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASP 112.A OD1 no hydrogen 3.549 N/A LYS 7.A N GLN 81.A OE1 no hydrogen 2.502 N/A LYS 9.A N ARG 79.A O no hydrogen 2.710 N/A LYS 9.A NZ LYS 78.A O no hydrogen 2.850 N/A LYS 9.A NZ THR 80.A O no hydrogen 2.720 N/A MET 12.A N LYS 9.A O no hydrogen 2.921 N/A VAL 17.A N ASN 53.A O no hydrogen 2.942 N/A GLN 19.A NE2 TRP 20.A O no hydrogen 2.643 N/A GLN 19.A NE2 VAL 56.A O no hydrogen 3.049 N/A LYS 26.A NZ GLU 375.A OE2 no hydrogen 2.995 N/A ILE 27.A N THR 23.A O no hydrogen 2.923 N/A LYS 28.A N GLU 24.A O no hydrogen 2.902 N/A LEU 30.A N LYS 26.A O no hydrogen 3.026 N/A VAL 31.A N ILE 27.A O no hydrogen 2.901 N/A GLU 32.A N LYS 28.A O no hydrogen 3.054 N/A ILE 33.A N ALA 29.A O no hydrogen 2.874 N/A CYS 34.A N LEU 30.A O no hydrogen 2.685 N/A THR 35.A N VAL 31.A O no hydrogen 2.864 N/A THR 35.A OG1 VAL 31.A O no hydrogen 2.769 N/A GLU 36.A N GLU 32.A O no hydrogen 3.179 N/A MET 37.A N ILE 33.A O no hydrogen 3.159 N/A GLU 38.A N CYS 34.A O no hydrogen 2.908 N/A GLU 38.A N THR 35.A O no hydrogen 3.104 N/A LYS 39.A N THR 35.A O no hydrogen 3.069 N/A GLU 40.A N GLU 36.A O no hydrogen 3.205 N/A GLY 41.A N GLU 38.A O no hydrogen 2.985 N/A LYS 42.A N MET 37.A O no hydrogen 2.777 N/A LYS 42.A NZ GLU 40.A OE1 no hydrogen 3.003 N/A SER 44.A N GLN 136.A O no hydrogen 3.098 N/A SER 44.A OG ASN 138.A OD1 no hydrogen 2.692 N/A LYS 45.A NZ GLU 38.A OE1 no hydrogen 3.395 N/A LYS 45.A NZ GLU 38.A OE2 no hydrogen 3.385 N/A LYS 45.A NZ TYR 135.A OH no hydrogen 3.546 N/A ILE 46.A N ARG 134.A O no hydrogen 3.399 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.635 N/A ASN 50.A N GLY 47.A O no hydrogen 3.401 N/A ASN 50.A ND2 LYS 117.A O no hydrogen 3.273 N/A ASN 50.A ND2 GLN 136.A OE1 no hydrogen 3.477 N/A TYR 52.A N ASN 50.A OD1 no hydrogen 3.173 N/A TYR 52.A OH ASP 13.A OD1 no hydrogen 2.929 N/A ASN 53.A N PRO 15.A O no hydrogen 2.917 N/A ASN 53.A ND2 VAL 17.A O no hydrogen 2.608 N/A VAL 56.A N GLN 19.A OE1 no hydrogen 2.851 N/A PHE 57.A N LEU 70.A O no hydrogen 2.885 N/A ILE 59.A N ARG 68.A O no hydrogen 2.976 N/A LYS 60.A NZ SER 64.A O no hydrogen 2.990 N/A LYS 60.A NZ LYS 66.A O no hydrogen 3.249 N/A LYS 61.A NZ ASP 101.A OD1 no hydrogen 2.742 N/A LYS 66.A NZ ASP 63.A OD1 no hydrogen 3.242 N/A ARG 68.A N ILE 59.A O no hydrogen 2.897 N/A ARG 68.A NE ASP 101.A OD1 no hydrogen 3.369 N/A ARG 68.A NH2 ASP 101.A OD1 no hydrogen 2.963 N/A LYS 69.A NZ TYR 137.A OH no hydrogen 3.175 N/A LEU 70.A N PHE 57.A O no hydrogen 2.740 N/A ASP 72.A N PRO 55.A O no hydrogen 2.838 N/A ARG 74.A N ASP 72.A OD2 no hydrogen 3.288 N/A ARG 74.A NE ASP 72.A OD2 no hydrogen 3.029 N/A ARG 74.A NH1 PRO 383.A O no hydrogen 2.760 N/A ARG 74.A NH2 ASP 72.A OD1 no hydrogen 3.020 N/A ASN 77.A N PHE 73.A O no hydrogen 2.598 N/A ASN 77.A ND2 GLY 143.A O no hydrogen 3.080 N/A LYS 78.A N ARG 74.A O no hydrogen 3.005 N/A LYS 78.A NZ GLU 75.A OE1 no hydrogen 3.442 N/A ARG 79.A N GLU 75.A O no hydrogen 3.147 N/A ARG 79.A N LEU 76.A O no hydrogen 2.990 N/A ARG 79.A NE GLU 75.A OE2 no hydrogen 3.336 N/A ARG 79.A NH1 ASP 13.A O no hydrogen 3.463 N/A ARG 79.A NH2 GLU 75.A OE2 no hydrogen 2.831 N/A THR 80.A N ASN 77.A O no hydrogen 3.175 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.663 N/A GLN 81.A N LYS 7.A O no hydrogen 2.935 N/A HIS 87.A NE2 ILE 353.A O no hydrogen 2.953 N/A LEU 91.A N PRO 88.A O no hydrogen 3.010 N/A LYS 92.A NZ ALA 89.A O no hydrogen 3.353 N/A LYS 92.A NZ ILE 353.A O no hydrogen 3.239 N/A LYS 93.A N GLY 90.A O no hydrogen 3.042 N/A LYS 94.A N LEU 91.A O no hydrogen 3.065 N/A LYS 94.A NZ GLY 90.A O no hydrogen 3.411 N/A LYS 95.A NZ ASP 183.A O no hydrogen 3.340 N/A SER 96.A N SER 182.A O no hydrogen 3.200 N/A VAL 97.A N LEU 205.A O no hydrogen 2.914 N/A THR 98.A N VAL 180.A O no hydrogen 2.893 N/A LEU 100.A N LEU 178.A O no hydrogen 2.767 N/A VAL 102.A N ASP 176.A O no hydrogen 2.754 N/A GLY 103.A N ASP 101.A OD2 no hydrogen 2.830 N/A TYR 106.A N GLY 103.A O no hydrogen 3.457 N/A TYR 106.A OH MET 175.A O no hydrogen 2.946 N/A PHE 107.A N ASP 104.A O no hydrogen 3.100 N/A SER 108.A OG ALA 105.A O no hydrogen 3.500 N/A VAL 109.A N TYR 106.A O no hydrogen 2.992 N/A LEU 111.A N ASN 138.A O no hydrogen 2.611 N/A PHE 115.A N ASP 112.A O no hydrogen 3.209 N/A ARG 116.A N ASP 112.A O no hydrogen 3.258 N/A ARG 116.A NE ASN 138.A O no hydrogen 3.429 N/A ARG 116.A NH2 ASN 138.A O no hydrogen 3.381 N/A TYR 118.A N PHE 115.A O no hydrogen 3.026 N/A THR 119.A N ARG 116.A O no hydrogen 2.803 N/A THR 119.A OG1 ARG 116.A O no hydrogen 2.452 N/A ALA 120.A N LYS 117.A O no hydrogen 3.162 N/A PHE 121.A N TYR 135.A O no hydrogen 2.853 N/A THR 122.A OG1 ASN 53.A OD1 no hydrogen 2.662 N/A ILE 123.A N ILE 133.A O no hydrogen 3.156 N/A SER 125.A OG THR 130.A O no hydrogen 2.617 N/A ASN 127.A ND2 GLU 129.A OE2 no hydrogen 3.477 N/A ASN 128.A N SER 125.A O no hydrogen 3.441 N/A GLU 129.A N ILE 126.A O no hydrogen 3.282 N/A THR 130.A OG1 GLU 129.A O no hydrogen 2.496 N/A ILE 133.A N ILE 123.A O no hydrogen 3.038 N/A ARG 134.A NH1 TYR 52.A O no hydrogen 3.150 N/A ARG 134.A NH1 THR 122.A OG1 no hydrogen 2.709 N/A ARG 134.A NH2 ASN 50.A O no hydrogen 2.609 N/A ARG 134.A NH2 TYR 52.A O no hydrogen 2.669 N/A TYR 135.A N PHE 121.A O no hydrogen 3.075 N/A GLN 136.A N SER 44.A O no hydrogen 3.223 N/A TYR 137.A N THR 119.A OG1 no hydrogen 2.651 N/A ASN 138.A N LYS 42.A O no hydrogen 2.960 N/A LEU 140.A N VAL 109.A O no hydrogen 3.099 N/A GLY 143.A N ASP 176.A OD2 no hydrogen 3.173 N/A TRP 144.A N PRO 141.A O no hydrogen 3.474 N/A TRP 144.A NE1 THR 80.A OG1 no hydrogen 3.025 N/A LYS 145.A N ASN 77.A OD1 no hydrogen 3.008 N/A LYS 145.A NZ THR 80.A O no hydrogen 2.653 N/A LYS 145.A NZ GLN 81.A O no hydrogen 2.997 N/A LYS 145.A NZ ASP 82.A OD1 no hydrogen 3.159 N/A SER 147.A N TRP 144.A O no hydrogen 3.102 N/A SER 147.A OG PRO 141.A O no hydrogen 2.698 N/A ILE 150.A N GLY 146.A O no hydrogen 3.023 N/A PHE 151.A N SER 147.A O no hydrogen 2.856 N/A GLN 152.A N ALA 149.A O no hydrogen 3.261 N/A GLN 152.A NE2 PRO 148.A O no hydrogen 3.303 N/A GLN 152.A NE2 GLN 173.A OE1 no hydrogen 3.454 N/A MET 155.A N GLN 152.A O no hydrogen 2.964 N/A THR 156.A N GLN 152.A O no hydrogen 3.163 N/A THR 156.A OG1 SER 153.A O no hydrogen 3.215 N/A LYS 157.A N SER 153.A O no hydrogen 3.351 N/A ILE 158.A N SER 154.A O no hydrogen 3.413 N/A LEU 159.A N MET 155.A O no hydrogen 2.980 N/A LEU 159.A N THR 156.A O no hydrogen 3.136 N/A GLU 160.A N THR 156.A O no hydrogen 2.652 N/A ARG 163.A N LEU 159.A O no hydrogen 2.997 N/A LYS 164.A N GLU 160.A O no hydrogen 2.720 N/A GLN 165.A N PRO 161.A O no hydrogen 2.798 N/A GLN 165.A NE2 PRO 161.A O no hydrogen 2.819 N/A ASN 166.A N PHE 162.A O no hydrogen 2.964 N/A VAL 170.A N GLY 181.A O no hydrogen 2.797 N/A TYR 172.A N TYR 179.A O no hydrogen 2.740 N/A TYR 172.A OH GLY 355.A O no hydrogen 3.294 N/A TYR 174.A N ASP 177.A O no hydrogen 3.139 N/A ASP 177.A N TYR 174.A O no hydrogen 2.825 N/A LEU 178.A N LEU 100.A O no hydrogen 2.892 N/A TYR 179.A N TYR 172.A O no hydrogen 2.628 N/A TYR 179.A OH ASP 177.A OD2 no hydrogen 3.381 N/A VAL 180.A N THR 98.A O no hydrogen 2.877 N/A GLY 181.A N VAL 170.A O no hydrogen 2.750 N/A SER 182.A N SER 96.A O no hydrogen 3.156 N/A SER 182.A OG HIS 189.A ND1 no hydrogen 2.607 N/A GLY 187.A N GLU 185.A OE1 no hydrogen 2.783 N/A HIS 189.A N GLU 185.A O no hydrogen 2.661 N/A HIS 189.A ND1 SER 182.A OG no hydrogen 2.607 N/A ARG 190.A N ILE 186.A O no hydrogen 2.930 N/A THR 191.A N GLY 187.A O no hydrogen 3.029 N/A THR 191.A OG1 GLY 187.A O no hydrogen 2.658 N/A LYS 192.A N GLN 188.A O no hydrogen 2.994 N/A ILE 193.A N HIS 189.A O no hydrogen 3.035 N/A ILE 193.A N ARG 190.A O no hydrogen 2.971 N/A GLU 194.A N ARG 190.A O no hydrogen 3.274 N/A LEU 196.A N ILE 193.A O no hydrogen 2.504 N/A ARG 197.A N ILE 193.A O no hydrogen 2.876 N/A GLN 198.A N GLU 194.A O no hydrogen 2.694 N/A GLN 198.A NE2 GLU 194.A OE1 no hydrogen 3.216 N/A HIS 199.A N GLU 195.A O no hydrogen 3.136 N/A HIS 199.A NE2 ILE 158.A O no hydrogen 2.573 N/A LEU 200.A N LEU 196.A O no hydrogen 2.724 N/A LEU 201.A N ARG 197.A O no hydrogen 2.594 N/A LEU 205.A N VAL 97.A O no hydrogen 2.637 N/A LYS 209.A N HIS 206.A O no hydrogen 3.178 N/A VAL 216.A N LEU 400.A O no hydrogen 3.067 N/A THR 224.A N ASP 227.A OD1 no hydrogen 3.250 N/A VAL 225.A N GLU 262.A O no hydrogen 3.061 N/A ASN 226.A N LEU 260.A O no hydrogen 3.181 N/A ASP 227.A N THR 224.A OG1 no hydrogen 3.190 N/A ILE 228.A N THR 224.A O no hydrogen 2.934 N/A GLN 229.A N VAL 225.A O no hydrogen 2.941 N/A LYS 230.A N ASN 226.A O no hydrogen 2.931 N/A LEU 231.A N ASP 227.A O no hydrogen 2.897 N/A VAL 232.A N ILE 228.A O no hydrogen 2.816 N/A GLY 233.A N GLN 229.A O no hydrogen 3.081 N/A LYS 234.A N LYS 230.A O no hydrogen 3.212 N/A LEU 235.A N LEU 231.A O no hydrogen 2.839 N/A ASN 236.A N VAL 232.A O no hydrogen 2.974 N/A TRP 237.A N GLY 233.A O no hydrogen 3.286 N/A ALA 238.A N LYS 234.A O no hydrogen 2.838 N/A SER 239.A N ASN 236.A O no hydrogen 2.976 N/A SER 239.A OG ASN 236.A O no hydrogen 2.430 N/A GLN 240.A N TRP 237.A O no hydrogen 2.854 N/A ILE 241.A N ALA 238.A O no hydrogen 2.997 N/A TYR 242.A N ALA 238.A O no hydrogen 3.036 N/A TYR 242.A OH GLU 283.A O no hydrogen 2.625 N/A ILE 245.A N TYR 242.A O no hydrogen 3.135 N/A LYS 246.A N ASN 277.A OD1 no hydrogen 3.169 N/A LEU 250.A N GLU 273.A OE2 no hydrogen 2.942 N/A CYS 251.A N VAL 247.A O no hydrogen 2.635 N/A LYS 252.A N ARG 248.A O no hydrogen 3.094 N/A LYS 252.A N GLN 249.A O no hydrogen 3.290 N/A LEU 253.A N LEU 250.A O no hydrogen 2.983 N/A LEU 254.A N CYS 251.A O no hydrogen 3.140 N/A ARG 255.A N LYS 252.A O no hydrogen 3.042 N/A THR 257.A OG1 THR 257.A O no hydrogen 2.539 N/A GLU 262.A N ALA 259.A O no hydrogen 3.000 N/A ILE 264.A N TRP 223.A O no hydrogen 2.847 N/A ALA 270.A N THR 267.A OG1 no hydrogen 3.167 N/A GLU 271.A N THR 267.A O no hydrogen 3.269 N/A LEU 272.A N GLU 268.A O no hydrogen 2.896 N/A GLU 273.A N GLU 269.A O no hydrogen 2.967 N/A LEU 274.A N ALA 270.A O no hydrogen 3.029 N/A ALA 275.A N GLU 271.A O no hydrogen 2.775 N/A GLU 276.A N LEU 272.A O no hydrogen 2.574 N/A ASN 277.A N GLU 273.A O no hydrogen 2.861 N/A ASN 277.A ND2 LYS 246.A O no hydrogen 3.058 N/A ARG 278.A N LEU 274.A O no hydrogen 2.965 N/A ARG 278.A NH1 LEU 217.A O no hydrogen 3.108 N/A ARG 278.A NH2 PRO 218.A O no hydrogen 3.059 N/A GLU 279.A N ALA 275.A O no hydrogen 3.152 N/A ILE 280.A N GLU 276.A O no hydrogen 3.171 N/A LEU 281.A N ASN 277.A O no hydrogen 3.231 N/A LYS 282.A N GLU 279.A O no hydrogen 2.804 N/A ASP 291.A N GLN 314.A OE1 no hydrogen 2.761 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 2.521 N/A LYS 294.A N ASP 291.A O no hydrogen 3.243 N/A LYS 294.A NZ GLU 315.A OE1 no hydrogen 3.510 N/A ILE 297.A N TYR 313.A O no hydrogen 2.679 N/A ALA 298.A N LYS 359.A O no hydrogen 2.851 N/A GLU 299.A N GLN 311.A O no hydrogen 3.152 N/A ILE 300.A N LYS 361.A O no hydrogen 3.321 N/A GLN 301.A N THR 309.A O no hydrogen 2.809 N/A GLN 301.A NE2 GLU 299.A OE2 no hydrogen 3.545 N/A GLN 301.A NE2 GLN 311.A OE1 no hydrogen 2.659 N/A LYS 302.A NZ ASP 335.A OD1 no hydrogen 2.369 N/A LYS 302.A NZ ASP 335.A OD2 no hydrogen 3.404 N/A GLN 303.A N GLN 307.A O no hydrogen 2.792 N/A GLY 304.A N GLN 307.A O no hydrogen 3.103 N/A GLN 307.A N GLY 304.A O no hydrogen 2.775 N/A TRP 308.A N TYR 325.A O no hydrogen 2.866 N/A TRP 308.A NE1 GLN 338.A OE1 no hydrogen 2.884 N/A THR 309.A N GLN 301.A O no hydrogen 3.057 N/A THR 309.A OG1 GLN 301.A OE1 no hydrogen 2.446 N/A THR 309.A OG1 GLN 303.A OE1 no hydrogen 2.987 N/A TYR 310.A N GLY 323.A O no hydrogen 3.028 N/A GLN 311.A N GLU 299.A O no hydrogen 3.055 N/A GLN 311.A NE2 GLN 301.A OE1 no hydrogen 2.863 N/A ILE 312.A N LYS 321.A O no hydrogen 2.676 N/A TYR 313.A N ILE 297.A O no hydrogen 2.806 N/A GLN 314.A NE2 ASP 291.A O no hydrogen 2.643 N/A GLN 314.A NE2 LYS 294.A O no hydrogen 3.126 N/A LYS 318.A N GLU 315.A O no hydrogen 3.147 N/A ASN 319.A ND2 TYR 398.A OH no hydrogen 2.965 N/A LEU 320.A N ILE 312.A O no hydrogen 2.898 N/A LYS 321.A N ILE 312.A O no hydrogen 3.274 N/A LYS 321.A NZ TYR 310.A OH no hydrogen 2.887 N/A LYS 321.A NZ GLU 349.A OE1 no hydrogen 3.039 N/A GLY 323.A N TYR 310.A O no hydrogen 2.980 N/A LYS 324.A NZ GLU 401.A O no hydrogen 3.411 N/A TYR 325.A N TRP 308.A O no hydrogen 2.692 N/A TYR 325.A OH GLU 341.A OE2 no hydrogen 2.630 N/A ARG 327.A N GLY 306.A O no hydrogen 2.692 N/A ALA 331.A N MET 328.A O no hydrogen 3.254 N/A ASN 334.A N ALA 331.A O no hydrogen 2.785 N/A ASN 334.A ND2 TYR 376.A OH no hydrogen 3.024 N/A LYS 337.A N ASN 334.A O no hydrogen 3.275 N/A LYS 337.A N ASN 334.A OD1 no hydrogen 2.953 N/A GLN 338.A N ASN 334.A O no hydrogen 3.285 N/A GLN 338.A NE2 ALA 331.A O no hydrogen 2.865 N/A LEU 339.A N ASP 335.A O no hydrogen 2.930 N/A THR 340.A N VAL 336.A O no hydrogen 3.223 N/A THR 340.A OG1 VAL 336.A O no hydrogen 3.381 N/A THR 340.A OG1 LYS 337.A O no hydrogen 2.950 N/A GLU 341.A N LYS 337.A O no hydrogen 3.234 N/A ALA 342.A N GLN 338.A O no hydrogen 3.056 N/A VAL 343.A N LEU 339.A O no hydrogen 3.052 N/A GLN 344.A N THR 340.A O no hydrogen 3.025 N/A GLN 344.A NE2 TYR 376.A O no hydrogen 3.250 N/A LYS 345.A N GLU 341.A O no hydrogen 2.743 N/A ILE 346.A N ALA 342.A O no hydrogen 2.722 N/A THR 347.A N VAL 343.A O no hydrogen 2.785 N/A THR 347.A OG1 VAL 343.A O no hydrogen 2.628 N/A THR 348.A N GLN 344.A O no hydrogen 2.931 N/A THR 348.A OG1 GLN 344.A O no hydrogen 2.590 N/A GLU 349.A N LYS 345.A O no hydrogen 3.177 N/A SER 350.A N ILE 346.A O no hydrogen 3.042 N/A SER 350.A OG LYS 356.A O no hydrogen 3.070 N/A ILE 351.A N THR 347.A O no hydrogen 2.840 N/A VAL 352.A N THR 348.A O no hydrogen 3.023 N/A ILE 353.A N GLU 349.A O no hydrogen 3.040 N/A TRP 354.A N SER 350.A O no hydrogen 2.945 N/A GLY 355.A N ILE 351.A O no hydrogen 2.449 N/A LYS 356.A NZ PRO 292.A O no hydrogen 3.522 N/A LYS 356.A NZ LYS 294.A O no hydrogen 3.118 N/A LYS 359.A N LEU 296.A O no hydrogen 2.724 N/A PHE 360.A N GLU 384.A O no hydrogen 3.044 N/A LYS 361.A N ALA 298.A O no hydrogen 2.827 N/A LEU 362.A N GLU 386.A O no hydrogen 2.879 N/A TRP 369.A N GLN 365.A O no hydrogen 2.938 N/A GLU 370.A N LYS 366.A O no hydrogen 2.836 N/A THR 371.A N GLU 367.A O no hydrogen 3.145 N/A THR 371.A OG1 GLU 367.A O no hydrogen 2.612 N/A TRP 372.A N TRP 369.A O no hydrogen 3.177 N/A TRP 373.A N TRP 369.A O no hydrogen 2.917 N/A GLU 375.A N TRP 372.A O no hydrogen 2.750 N/A TYR 376.A N TRP 373.A O no hydrogen 3.190 N/A TRP 377.A NE1 TRP 381.A O no hydrogen 2.864 N/A GLN 378.A N GLN 344.A OE1 no hydrogen 3.118 N/A GLN 378.A NE2 LYS 61.A O no hydrogen 3.330 N/A THR 380.A OG1 ASP 177.A OD1 no hydrogen 3.247 N/A TRP 381.A NE1 TYR 179.A OH no hydrogen 3.321 N/A GLU 386.A N PHE 360.A O no hydrogen 2.842 N/A VAL 388.A N LEU 362.A O no hydrogen 2.970 N/A LEU 396.A N PRO 392.A O no hydrogen 3.381 N/A TRP 397.A N LEU 393.A O no hydrogen 2.768 N/A TYR 398.A N VAL 394.A O no hydrogen 3.310 N/A LEU 400.A N TRP 397.A O no hydrogen 2.941 N/A GLU 401.A N TYR 398.A O no hydrogen 3.378 N/A LYS 402.A N PRO 214.A O no hydrogen 2.785 N/A