Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A N CYS 17.A O no hydrogen 2.723 N/A TRP 2.A NE1 ASN 19.A O no hydrogen 2.736 N/A ALA 3.A N CYS 17.A O no hydrogen 3.357 N/A ARG 4.A N PHE 111.A O no hydrogen 2.891 N/A LEU 5.A N LEU 15.A O no hydrogen 2.706 N/A TRP 6.A N VAL 109.A O no hydrogen 2.802 N/A LEU 8.A N VAL 107.A O no hydrogen 2.731 N/A PHE 12.A N GLN 9.A O no hydrogen 3.181 N/A ALA 13.A N TYR 32.A OH no hydrogen 2.761 N/A ASN 14.A ND2 LEU 5.A O no hydrogen 3.618 N/A LEU 15.A N LEU 5.A O no hydrogen 2.928 N/A CYS 17.A N ALA 3.A O no hydrogen 2.689 N/A VAL 18.A N TYR 22.A OH no hydrogen 2.887 N/A ASN 19.A N TYR 22.A OH no hydrogen 2.724 N/A ASP 20.A N ASN 19.A OD1 no hydrogen 2.895 N/A TYR 22.A N ILE 55.A O no hydrogen 2.938 N/A TRP 23.A N GLU 31.A OE1 no hydrogen 3.434 N/A PHE 24.A N PHE 53.A O no hydrogen 2.781 N/A GLY 25.A N TYR 32.A O no hydrogen 3.262 N/A ARG 26.A N SER 49.A O no hydrogen 3.180 N/A ARG 26.A NE TYR 48.A O no hydrogen 2.687 N/A ARG 26.A NH2 TYR 48.A O no hydrogen 3.143 N/A ASP 27.A N LYS 50.A O no hydrogen 3.029 N/A SER 29.A OG ASP 27.A OD2 no hydrogen 2.850 N/A CYS 30.A N ASP 27.A O no hydrogen 2.930 N/A CYS 30.A SG LYS 50.A O no hydrogen 3.485 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.706 N/A TYR 32.A N TRP 23.A O no hydrogen 2.944 N/A TYR 32.A OH ALA 13.A O no hydrogen 2.652 N/A CYS 33.A SG GLY 25.A O no hydrogen 3.900 N/A CYS 33.A SG ARG 26.A O no hydrogen 3.398 N/A CYS 33.A SG ASP 27.A O no hydrogen 3.388 N/A CYS 33.A SG ASP 35.A OD1 no hydrogen 3.237 N/A PHE 34.A N GLY 25.A O no hydrogen 2.801 N/A LYS 40.A N GLU 36.A O no hydrogen 2.938 N/A THR 42.A N LEU 39.A O no hydrogen 3.367 N/A THR 42.A OG1 LEU 39.A O no hydrogen 2.860 N/A LYS 44.A N THR 42.A O no hydrogen 2.353 N/A ARG 46.A N ASP 43.A O no hydrogen 3.325 N/A THR 47.A N LYS 44.A O no hydrogen 3.137 N/A THR 47.A OG1 LYS 44.A O no hydrogen 2.567 N/A THR 47.A OG1 SER 101.A OG no hydrogen 2.917 N/A TYR 48.A N TYR 45.A O no hydrogen 3.084 N/A SER 49.A N HIS 52.A ND1 no hydrogen 2.970 N/A HIS 52.A N PHE 24.A O no hydrogen 2.749 N/A HIS 52.A NE2 GLY 76.A O no hydrogen 3.055 N/A PHE 53.A N PHE 24.A O no hydrogen 3.193 N/A ARG 54.A N GLU 70.A O no hydrogen 3.017 N/A ARG 54.A NE GLU 70.A OE1 no hydrogen 2.700 N/A ARG 54.A NH2 GLU 70.A OE1 no hydrogen 3.007 N/A ILE 55.A N TYR 22.A O no hydrogen 3.060 N/A PHE 56.A N TYR 68.A O no hydrogen 2.962 N/A ARG 57.A N ASP 20.A O no hydrogen 2.982 N/A GLU 58.A N ILE 66.A O no hydrogen 3.015 N/A GLY 60.A N SER 64.A O no hydrogen 2.839 N/A LYS 62.A N GLY 60.A O no hydrogen 2.501 N/A ILE 66.A N GLU 58.A O no hydrogen 2.954 N/A TYR 68.A N PHE 56.A O no hydrogen 2.909 N/A ILE 69.A N ARG 90.A O no hydrogen 2.928 N/A GLU 70.A N ARG 54.A O no hydrogen 2.786 N/A ASP 71.A N LYS 88.A O no hydrogen 2.999 N/A HIS 72.A N HIS 52.A O no hydrogen 2.969 N/A HIS 72.A NE2 GLU 70.A OE1 no hydrogen 3.020 N/A SER 73.A N ASP 71.A OD1 no hydrogen 2.932 N/A SER 73.A OG HIS 52.A NE2 no hydrogen 3.356 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.559 N/A GLY 74.A N SER 49.A OG no hydrogen 3.099 N/A GLY 76.A N SER 73.A OG no hydrogen 2.873 N/A THR 77.A N ASP 71.A OD2 no hydrogen 2.830 N/A THR 77.A OG1 ASP 71.A OD1 no hydrogen 2.661 N/A PHE 78.A N ALA 99.A O no hydrogen 2.799 N/A VAL 79.A N GLU 82.A O no hydrogen 2.691 N/A ASN 80.A N GLU 97.A O no hydrogen 2.855 N/A VAL 84.A N THR 77.A O no hydrogen 2.855 N/A GLY 85.A N ASP 71.A OD2 no hydrogen 3.126 N/A LYS 86.A NZ HIS 72.A O no hydrogen 3.306 N/A GLY 87.A N ASP 71.A O no hydrogen 2.723 N/A LYS 88.A N GLY 85.A O no hydrogen 2.853 N/A ARG 89.A NH2 GLU 58.A OE2 no hydrogen 3.358 N/A ARG 90.A N ILE 69.A O no hydrogen 3.032 N/A ARG 90.A NE PRO 91.A O no hydrogen 3.066 N/A ARG 90.A NH2 PRO 91.A O no hydrogen 3.514 N/A LEU 92.A N ALA 67.A O no hydrogen 2.785 N/A SER 96.A N PHE 110.A O no hydrogen 3.230 N/A SER 96.A OG ASN 93.A O no hydrogen 2.753 N/A GLU 97.A N ASN 80.A OD1 no hydrogen 3.043 N/A ILE 98.A N PHE 108.A O no hydrogen 2.814 N/A ALA 99.A N PHE 78.A O no hydrogen 2.797 N/A LEU 100.A N ASN 105.A O no hydrogen 3.022 N/A SER 101.A N GLY 76.A O no hydrogen 2.903 N/A SER 101.A OG THR 47.A O no hydrogen 3.146 N/A SER 101.A OG THR 47.A OG1 no hydrogen 2.917 N/A LEU 102.A N LEU 100.A O no hydrogen 2.554 N/A ASN 105.A N LEU 102.A O no hydrogen 3.294 N/A LYS 106.A N ARG 104.A O no hydrogen 2.902 N/A VAL 107.A N ILE 98.A O no hydrogen 2.717 N/A PHE 108.A N ILE 98.A O no hydrogen 3.142 N/A VAL 109.A N TRP 6.A O no hydrogen 2.883 N/A PHE 110.A N SER 96.A O no hydrogen 2.724 N/A PHE 111.A N ARG 4.A O no hydrogen 2.872 N/A ASP 112.A N ASN 94.A OD1 no hydrogen 2.842 N/A LEU 113.A N TRP 2.A O no hydrogen 2.845 N/A THR 114.A N ASP 112.A OD1 no hydrogen 2.780 N/A THR 114.A OG1 ASP 112.A OD1 no hydrogen 3.507 N/A GLN 118.A NE2 ASP 116.A O no hydrogen 3.136 N/A GLN 118.A NE2 MET 131.A O no hydrogen 3.638 N/A SER 119.A N ASP 117.A OD1 no hydrogen 3.168 N/A SER 119.A OG ASP 117.A OD1 no hydrogen 2.915 N/A LEU 125.A N PRO 122.A O no hydrogen 3.306 N/A ARG 126.A N PRO 122.A O no hydrogen 3.315 N/A ASP 127.A N LYS 123.A O no hydrogen 3.260 N/A GLU 128.A N LEU 125.A O no hydrogen 2.980 N/A TYR 129.A N LEU 125.A O no hydrogen 2.828 N/A ILE 130.A N PHE 142.A O no hydrogen 2.725 N/A MET 131.A N GLN 118.A OE1 no hydrogen 3.393 N/A SER 132.A N LEU 140.A O no hydrogen 2.707 N/A LEU 135.A N VAL 138.A O no hydrogen 2.680 N/A VAL 138.A N GLY 136.A O no hydrogen 3.023 N/A LYS 139.A N ILE 152.A O no hydrogen 2.939 N/A LYS 139.A NZ SER 132.A O no hydrogen 3.515 N/A LYS 139.A NZ THR 134.A OG1 no hydrogen 2.736 N/A LEU 140.A N LYS 133.A O no hydrogen 2.812 N/A ALA 141.A N VAL 150.A O no hydrogen 2.878 N/A PHE 142.A N ILE 130.A O no hydrogen 2.726 N/A GLU 143.A N LYS 148.A O no hydrogen 3.111 N/A ARG 144.A N GLU 128.A O no hydrogen 2.681 N/A ARG 144.A NH1 ARG 126.A O no hydrogen 2.795 N/A THR 146.A OG1 GLU 143.A OE2 no hydrogen 2.455 N/A CYS 147.A N GLU 143.A O no hydrogen 2.823 N/A VAL 150.A N ALA 141.A O no hydrogen 2.758 N/A ALA 151.A N LEU 191.A O no hydrogen 3.046 N/A ILE 152.A N LYS 139.A O no hydrogen 2.786 N/A ARG 153.A N ILE 189.A O no hydrogen 2.897 N/A ILE 154.A N GLU 137.A O no hydrogen 2.949 N/A ILE 155.A N ASP 186.A O no hydrogen 2.842 N/A SER 156.A N ASP 186.A O no hydrogen 3.102 N/A SER 156.A OG LYS 157.A O no hydrogen 3.422 N/A LYS 157.A NZ SER 156.A OG no hydrogen 3.281 N/A LYS 157.A NZ LYS 157.A O no hydrogen 2.758 N/A GLU 161.A N ASN 159.A O no hydrogen 2.719 N/A ILE 166.A N THR 162.A O no hydrogen 3.212 N/A LEU 167.A N GLU 163.A O no hydrogen 3.392 N/A LYS 168.A N ILE 164.A O no hydrogen 2.880 N/A LYS 169.A N GLU 165.A O no hydrogen 2.978 N/A ASN 171.A N TYR 227.A OH no hydrogen 2.733 N/A CYS 174.A N HIS 172.A ND1 no hydrogen 2.945 N/A CYS 174.A SG GLN 220.A O no hydrogen 3.860 N/A ILE 175.A N HIS 172.A O no hydrogen 3.047 N/A ILE 176.A N ILE 256.A O no hydrogen 3.123 N/A LYS 177.A N GLU 192.A OE1 no hydrogen 2.804 N/A LYS 177.A NZ ASN 171.A OD1 no hydrogen 2.734 N/A ASN 180.A N VAL 190.A O no hydrogen 3.142 N/A PHE 181.A N ASN 180.A OD1 no hydrogen 2.517 N/A PHE 182.A N TYR 188.A O no hydrogen 2.605 N/A TYR 188.A N PHE 182.A O no hydrogen 2.531 N/A ILE 189.A N ARG 153.A O no hydrogen 2.936 N/A VAL 190.A N ASN 180.A O no hydrogen 2.603 N/A LEU 191.A N ALA 151.A O no hydrogen 2.558 N/A GLU 198.A N ASP 201.A OD2 no hydrogen 3.272 N/A LEU 199.A N VAL 243.A O no hydrogen 2.830 N/A ASP 201.A N GLU 198.A O no hydrogen 3.162 N/A LYS 202.A N LEU 199.A O no hydrogen 3.222 N/A LYS 202.A NZ GLN 248.A O no hydrogen 3.344 N/A VAL 203.A N PHE 200.A O no hydrogen 3.047 N/A LEU 209.A N CYS 288.A O no hydrogen 3.200 N/A LYS 210.A NZ GLU 250.A OE1 no hydrogen 3.308 N/A THR 213.A OG1 GLU 250.A OE2 no hydrogen 3.217 N/A CYS 214.A N LYS 210.A O no hydrogen 2.888 N/A CYS 214.A SG LEU 209.A O no hydrogen 3.869 N/A CYS 214.A SG LYS 210.A O no hydrogen 3.596 N/A LYS 215.A N GLU 211.A O no hydrogen 3.056 N/A LYS 215.A NZ ASP 356.A OD2 no hydrogen 2.680 N/A LEU 216.A N ALA 212.A O no hydrogen 3.070 N/A TYR 217.A N THR 213.A O no hydrogen 2.847 N/A TYR 217.A OH GLU 250.A O no hydrogen 2.626 N/A PHE 218.A N CYS 214.A O no hydrogen 2.579 N/A TYR 219.A N LYS 215.A O no hydrogen 2.822 N/A GLN 220.A N LEU 216.A O no hydrogen 3.376 N/A MET 221.A N TYR 217.A O no hydrogen 2.830 N/A LEU 222.A N PHE 218.A O no hydrogen 2.827 N/A LEU 223.A N TYR 219.A O no hydrogen 2.896 N/A ALA 224.A N GLN 220.A O no hydrogen 2.868 N/A VAL 225.A N MET 221.A O no hydrogen 2.933 N/A GLN 226.A N LEU 222.A O no hydrogen 2.893 N/A TYR 227.A N LEU 223.A O no hydrogen 2.883 N/A LEU 228.A N ALA 224.A O no hydrogen 2.890 N/A HIS 229.A N VAL 225.A O no hydrogen 2.871 N/A HIS 229.A NE2 ASP 277.A OD2 no hydrogen 2.782 N/A GLU 230.A N GLN 226.A O no hydrogen 3.002 N/A ASN 231.A N LEU 228.A O no hydrogen 2.898 N/A ASN 231.A ND2 TYR 227.A O no hydrogen 2.939 N/A GLY 232.A N HIS 229.A O no hydrogen 2.830 N/A ILE 233.A N LEU 228.A O no hydrogen 2.870 N/A HIS 235.A N ASP 277.A OD2 no hydrogen 2.859 N/A HIS 235.A NE2 THR 257.A O no hydrogen 2.725 N/A ARG 236.A N ASP 277.A OD1 no hydrogen 2.989 N/A ARG 236.A NE TYR 272.A OH no hydrogen 3.064 N/A ASP 237.A N HIS 235.A ND1 no hydrogen 3.408 N/A ASP 237.A N HIS 235.A O no hydrogen 2.758 N/A LYS 239.A NZ ASP 237.A OD2 no hydrogen 3.560 N/A GLU 241.A N GLU 241.A OE2 no hydrogen 2.614 N/A ASN 242.A N LYS 239.A O no hydrogen 2.603 N/A VAL 243.A N LYS 239.A O no hydrogen 3.218 N/A LEU 244.A N LYS 255.A O no hydrogen 2.647 N/A LEU 245.A N GLY 197.A O no hydrogen 2.889 N/A SER 246.A N LEU 253.A O no hydrogen 2.895 N/A SER 246.A OG LEU 253.A O no hydrogen 2.884 N/A GLU 249.A N SER 247.A OG no hydrogen 3.167 N/A CYS 252.A SG GLU 249.A O no hydrogen 3.621 N/A CYS 252.A SG LEU 253.A O no hydrogen 3.583 N/A LYS 255.A N LEU 244.A O no hydrogen 2.717 N/A LYS 255.A NZ PRO 173.A O no hydrogen 2.662 N/A ILE 256.A N CYS 174.A O no hydrogen 2.963 N/A THR 257.A N ASN 242.A O no hydrogen 2.976 N/A THR 257.A OG1 ASN 242.A O no hydrogen 3.494 N/A THR 261.A OG1 PHE 295.A O no hydrogen 3.461 N/A LEU 263.A N THR 261.A O no hydrogen 2.402 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.671 N/A VAL 267.A N ALA 264.A O no hydrogen 3.116 N/A LEU 268.A N PRO 265.A O no hydrogen 3.156 N/A ALA 275.A N ASN 273.A OD1 no hydrogen 3.438 N/A VAL 276.A N ASN 273.A O no hydrogen 3.373 N/A ASP 277.A N ARG 274.A O no hydrogen 2.838 N/A CYS 278.A SG PHE 343.A O no hydrogen 3.541 N/A TRP 279.A N ALA 275.A O no hydrogen 3.008 N/A SER 280.A N VAL 276.A O no hydrogen 3.025 N/A SER 280.A OG TYR 262.A O no hydrogen 3.255 N/A SER 280.A OG VAL 276.A O no hydrogen 3.541 N/A LEU 281.A N ASP 277.A O no hydrogen 2.953 N/A GLY 282.A N CYS 278.A O no hydrogen 2.798 N/A VAL 283.A N TRP 279.A O no hydrogen 3.002 N/A ILE 284.A N SER 280.A O no hydrogen 2.827 N/A LEU 285.A N LEU 281.A O no hydrogen 2.811 N/A PHE 286.A N GLY 282.A O no hydrogen 2.889 N/A ILE 287.A N VAL 283.A O no hydrogen 2.977 N/A CYS 288.A N ILE 284.A O no hydrogen 2.924 N/A CYS 288.A SG ILE 284.A O no hydrogen 3.399 N/A LEU 289.A N LEU 285.A O no hydrogen 2.902 N/A SER 290.A N PHE 286.A O no hydrogen 3.020 N/A SER 290.A OG PHE 286.A O no hydrogen 2.663 N/A SER 290.A OG TYR 292.A O no hydrogen 2.858 N/A GLY 291.A N ILE 287.A O no hydrogen 2.655 N/A TYR 292.A N SER 290.A OG no hydrogen 3.182 N/A TYR 292.A OH ASN 314.A O no hydrogen 2.774 N/A SER 296.A OG HIS 298.A NE2 no hydrogen 3.235 N/A ARG 299.A N GLU 297.A O no hydrogen 2.760 N/A LYS 305.A N SER 303.A OG no hydrogen 3.356 N/A ASP 306.A N SER 303.A O no hydrogen 3.070 N/A GLN 307.A N SER 303.A O no hydrogen 2.930 N/A ILE 308.A N LEU 304.A O no hydrogen 3.355 N/A THR 309.A OG1 LYS 305.A O no hydrogen 2.547 N/A SER 310.A N ASP 306.A O no hydrogen 3.138 N/A SER 310.A OG ASP 306.A O no hydrogen 3.331 N/A SER 310.A OG GLN 307.A O no hydrogen 3.048 N/A GLY 311.A N GLN 307.A O no hydrogen 2.940 N/A ASN 314.A N PRO 294.A O no hydrogen 2.884 N/A ILE 316.A N TYR 292.A OH no hydrogen 2.958 N/A VAL 319.A N ILE 316.A O no hydrogen 3.036 N/A TRP 320.A N ILE 316.A O no hydrogen 3.178 N/A TRP 320.A NE1 TYR 292.A OH no hydrogen 3.011 N/A GLU 322.A N VAL 319.A O no hydrogen 3.322 N/A VAL 323.A N TRP 320.A O no hydrogen 3.226 N/A SER 324.A N GLU 211.A OE1 no hydrogen 3.033 N/A SER 324.A OG GLU 211.A OE2 no hydrogen 2.869 N/A ALA 327.A N SER 324.A OG no hydrogen 3.233 N/A LEU 328.A N SER 324.A O no hydrogen 3.178 N/A ASP 329.A N GLU 325.A O no hydrogen 2.822 N/A LEU 330.A N LYS 326.A O no hydrogen 2.802 N/A VAL 331.A N ALA 327.A O no hydrogen 3.194 N/A LYS 332.A N LEU 328.A O no hydrogen 2.883 N/A LYS 333.A N ASP 329.A O no hydrogen 2.958 N/A LEU 334.A N LEU 330.A O no hydrogen 2.890 N/A LEU 334.A N VAL 331.A O no hydrogen 3.157 N/A LEU 335.A N VAL 331.A O no hydrogen 2.965 N/A LEU 335.A N LYS 332.A O no hydrogen 3.088 N/A ALA 341.A N ASP 338.A O no hydrogen 2.976 N/A ARG 342.A N ASP 338.A O no hydrogen 2.949 N/A ARG 342.A N PRO 339.A O no hydrogen 3.289 N/A ARG 342.A NE VAL 336.A O no hydrogen 2.926 N/A ARG 342.A NH1 GLU 266.A OE1 no hydrogen 3.289 N/A ARG 342.A NH1 GLU 266.A OE2 no hydrogen 2.589 N/A ARG 342.A NH1 ALA 275.A O no hydrogen 2.842 N/A ARG 342.A NH2 GLU 266.A OE1 no hydrogen 2.604 N/A ARG 342.A NH2 GLU 266.A OE2 no hydrogen 3.472 N/A ARG 342.A NH2 VAL 336.A O no hydrogen 3.080 N/A PHE 343.A N LYS 333.A O no hydrogen 3.075 N/A THR 345.A OG1 GLN 226.A OE1 no hydrogen 3.509 N/A THR 345.A OG1 GLU 346.A OE1 no hydrogen 3.397 N/A GLU 347.A N THR 344.A OG1 no hydrogen 3.390 N/A ALA 348.A N THR 344.A O no hydrogen 2.770 N/A LEU 349.A N THR 345.A O no hydrogen 3.026 N/A ARG 350.A N GLU 346.A O no hydrogen 3.155 N/A ARG 350.A N GLU 347.A O no hydrogen 3.113 N/A HIS 351.A N ALA 348.A O no hydrogen 3.126 N/A HIS 351.A NE2 ASP 329.A OD2 no hydrogen 2.681 N/A TRP 353.A N HIS 351.A ND1 no hydrogen 3.065 N/A TRP 353.A NE1 GLU 211.A OE2 no hydrogen 3.066 N/A LEU 354.A N HIS 351.A O no hydrogen 2.789 N/A GLN 355.A N PRO 352.A O no hydrogen 3.025 N/A ASP 356.A N LEU 354.A O no hydrogen 2.804 N/A MET 359.A N ASP 356.A OD1 no hydrogen 2.944 N/A LYS 360.A N ASP 356.A O no hydrogen 3.136 N/A ARG 361.A N GLU 357.A O no hydrogen 2.913 N/A LYS 362.A N ASP 358.A O no hydrogen 3.404 N/A PHE 363.A N MET 359.A O no hydrogen 2.849 N/A GLN 364.A N LYS 360.A O no hydrogen 3.068 N/A ASP 365.A N ARG 361.A O no hydrogen 2.988 N/A LEU 366.A N LYS 362.A O no hydrogen 3.116 N/A LEU 367.A N PHE 363.A O no hydrogen 3.039 N/A SER 368.A N GLN 364.A O no hydrogen 3.281 N/A SER 368.A N ASP 365.A O no hydrogen 3.034 N/A