Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3so4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N TYR 161.A O no hydrogen 3.123 N/A PHE 4.A N LEU 159.A O no hydrogen 2.874 N/A SER 6.A N VAL 157.A O no hydrogen 3.308 N/A SER 6.A OG GLY 245.A O no hydrogen 2.640 N/A SER 8.A N SER 155.A O no hydrogen 3.144 N/A SER 10.A N SER 153.A O no hydrogen 2.974 N/A SER 10.A OG PRO 151.A O no hydrogen 2.618 N/A SER 10.A OG SER 153.A O no hydrogen 3.181 N/A GLY 12.A N SER 10.A OG no hydrogen 3.279 N/A HIS 13.A N SER 10.A O no hydrogen 3.074 N/A ASP 15.A N HIS 13.A ND1 no hydrogen 3.306 N/A LYS 16.A NZ LYS 238.A O no hydrogen 3.336 N/A LYS 16.A NZ ASP 242.A OD1 no hydrogen 2.507 N/A MET 17.A N HIS 13.A O no hydrogen 2.617 N/A CYS 18.A N PRO 14.A O no hydrogen 3.005 N/A CYS 18.A SG PRO 14.A O no hydrogen 3.317 N/A CYS 18.A SG THR 42.A O no hydrogen 3.395 N/A CYS 18.A SG THR 44.A OG1 no hydrogen 3.457 N/A ASP 19.A N ASP 15.A O no hydrogen 3.363 N/A GLN 20.A N LYS 16.A O no hydrogen 2.930 N/A ILE 21.A N MET 17.A O no hydrogen 3.003 N/A SER 22.A N CYS 18.A O no hydrogen 2.804 N/A SER 22.A OG CYS 40.A O no hydrogen 3.474 N/A SER 22.A OG THR 42.A OG1 no hydrogen 2.990 N/A SER 22.A OG THR 235.A OG1 no hydrogen 3.083 N/A ASP 23.A N ASP 19.A O no hydrogen 3.131 N/A ALA 24.A N GLN 20.A O no hydrogen 2.792 N/A ILE 25.A N ILE 21.A O no hydrogen 3.094 N/A LEU 26.A N SER 22.A O no hydrogen 3.224 N/A ASP 27.A N ASP 23.A O no hydrogen 2.997 N/A ALA 28.A N ALA 24.A O no hydrogen 3.017 N/A CYS 29.A N ILE 25.A O no hydrogen 2.970 N/A CYS 29.A N LEU 26.A O no hydrogen 2.931 N/A CYS 29.A SG ILE 25.A O no hydrogen 3.685 N/A LEU 30.A N LEU 26.A O no hydrogen 2.912 N/A ALA 31.A N ASP 27.A O no hydrogen 2.913 N/A GLN 32.A N CYS 29.A O no hydrogen 3.013 N/A GLN 32.A NE2 VAL 60.A O no hydrogen 3.261 N/A ASP 33.A N CYS 29.A O no hydrogen 2.912 N/A SER 36.A N ASP 33.A O no hydrogen 3.003 N/A SER 36.A OG ASP 33.A O no hydrogen 2.645 N/A SER 36.A OG THR 57.A OG1 no hydrogen 2.664 N/A HIS 37.A N THR 56.A O no hydrogen 2.815 N/A VAL 38.A N ASP 259.A OD2 no hydrogen 2.663 N/A ALA 39.A N GLU 54.A O no hydrogen 2.904 N/A CYS 40.A N GLY 257.A O no hydrogen 3.133 N/A GLU 41.A N LEU 52.A O no hydrogen 2.753 N/A THR 42.A N THR 235.A OG1 no hydrogen 2.877 N/A THR 42.A OG1 SER 22.A OG no hydrogen 2.990 N/A ALA 43.A N LEU 50.A O no hydrogen 2.825 N/A THR 44.A N GLY 233.A O no hydrogen 2.938 N/A LYS 45.A N LEU 48.A O no hydrogen 3.031 N/A ILE 49.A N SER 89.A O no hydrogen 2.845 N/A LEU 50.A N ALA 43.A O no hydrogen 2.673 N/A VAL 51.A N LEU 91.A O no hydrogen 2.890 N/A LEU 52.A N GLU 41.A O no hydrogen 2.851 N/A GLU 54.A N ALA 39.A O no hydrogen 3.187 N/A ILE 55.A N GLU 95.A O no hydrogen 3.310 N/A THR 56.A N HIS 37.A O no hydrogen 2.731 N/A THR 57.A N GLN 97.A O no hydrogen 3.051 N/A THR 57.A OG1 ASP 33.A OD2 no hydrogen 3.433 N/A THR 57.A OG1 SER 36.A OG no hydrogen 2.664 N/A ASN 58.A N ASP 33.A OD2 no hydrogen 3.098 N/A ALA 59.A N THR 57.A OG1 no hydrogen 2.899 N/A VAL 60.A N GLN 32.A OE1 no hydrogen 2.717 N/A ILE 66.A N ASP 62.A O no hydrogen 3.058 N/A VAL 67.A N ILE 63.A O no hydrogen 2.901 N/A ARG 68.A N PRO 64.A O no hydrogen 2.974 N/A ARG 68.A NH1 TYR 85.A O no hydrogen 2.984 N/A ARG 68.A NH1 CYS 88.A O no hydrogen 2.776 N/A ARG 68.A NH2 CYS 88.A O no hydrogen 3.277 N/A GLY 69.A N LYS 65.A O no hydrogen 3.049 N/A VAL 70.A N ILE 66.A O no hydrogen 3.016 N/A VAL 70.A N VAL 67.A O no hydrogen 2.921 N/A VAL 71.A N VAL 67.A O no hydrogen 3.084 N/A LYS 72.A N ARG 68.A O no hydrogen 2.885 N/A SER 73.A N GLY 69.A O no hydrogen 3.052 N/A SER 73.A OG VAL 70.A O no hydrogen 3.497 N/A ILE 74.A N VAL 70.A O no hydrogen 3.021 N/A GLY 75.A N VAL 71.A O no hydrogen 3.295 N/A GLY 75.A N LYS 72.A O no hydrogen 2.716 N/A TYR 76.A N VAL 71.A O no hydrogen 3.247 N/A TYR 76.A OH GLY 12.A O no hydrogen 2.711 N/A ASP 77.A N GLY 75.A O no hydrogen 3.006 N/A ASN 80.A N ASP 78.A OD1 no hydrogen 3.264 N/A LYS 81.A N ASP 78.A O no hydrogen 2.974 N/A LYS 81.A NZ GLY 75.A O no hydrogen 3.112 N/A LYS 81.A NZ ASP 77.A OD1 no hydrogen 3.489 N/A GLY 82.A N THR 79.A O no hydrogen 2.951 N/A TYR 85.A N TYR 76.A O no hydrogen 2.749 N/A GLN 86.A N ASP 84.A OD1 no hydrogen 2.945 N/A THR 87.A N ASP 84.A O no hydrogen 3.254 N/A CYS 88.A N ASP 84.A O no hydrogen 2.961 N/A CYS 88.A SG TYR 85.A O no hydrogen 3.825 N/A SER 89.A N GLY 47.A O no hydrogen 3.026 N/A SER 89.A OG GLY 47.A O no hydrogen 3.314 N/A LEU 91.A N ILE 49.A O no hydrogen 2.915 N/A CYS 93.A N VAL 51.A O no hydrogen 2.758 N/A GLU 95.A N GLY 53.A O no hydrogen 3.060 N/A GLN 97.A N ILE 55.A O no hydrogen 3.048 N/A GLN 99.A NE2 THR 56.A O no hydrogen 3.256 N/A GLN 108.A N ASP 107.A OD1 no hydrogen 2.478 N/A GLY 109.A N TYR 293.A O no hydrogen 3.108 N/A MET 111.A N LEU 291.A O no hydrogen 2.925 N/A GLY 113.A N VAL 289.A O no hydrogen 2.563 N/A TYR 114.A N TYR 244.A OH no hydrogen 3.168 N/A ALA 115.A N VAL 287.A O no hydrogen 3.091 N/A THR 116.A N MET 122.A O no hydrogen 3.072 N/A THR 116.A OG1 GLU 118.A OE1 no hydrogen 2.701 N/A ASP 117.A N HIS 285.A O no hydrogen 3.140 N/A GLU 118.A N THR 116.A OG1 no hydrogen 3.308 N/A SER 119.A OG MET 123.A O no hydrogen 2.579 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.787 N/A MET 122.A N SER 119.A O no hydrogen 2.970 N/A MET 123.A N SER 119.A OG no hydrogen 2.922 N/A LEU 125.A N GLU 118.A OE2 no hydrogen 2.806 N/A THR 126.A OG1 VAL 157.A O no hydrogen 3.033 N/A HIS 127.A N PRO 124.A O no hydrogen 2.911 N/A HIS 127.A NE2 VAL 241.A O no hydrogen 3.226 N/A VAL 128.A N PRO 124.A O no hydrogen 2.956 N/A LEU 129.A N LEU 125.A O no hydrogen 2.951 N/A SER 130.A OG THR 126.A O no hydrogen 2.105 N/A SER 130.A OG HIS 127.A O no hydrogen 2.894 N/A THR 131.A N HIS 127.A O no hydrogen 3.038 N/A THR 131.A OG1 HIS 127.A O no hydrogen 2.880 N/A THR 131.A OG1 VAL 128.A O no hydrogen 2.754 N/A LYS 132.A N VAL 128.A O no hydrogen 2.807 N/A LEU 133.A N LEU 129.A O no hydrogen 2.693 N/A ILE 134.A N THR 131.A O no hydrogen 2.982 N/A LEU 135.A N THR 131.A O no hydrogen 2.923 N/A ARG 136.A N LYS 132.A O no hydrogen 2.957 N/A GLN 138.A N ILE 134.A O no hydrogen 3.212 N/A GLU 139.A N LEU 135.A O no hydrogen 2.986 N/A CYS 140.A N ARG 136.A O no hydrogen 2.864 N/A CYS 140.A SG ARG 136.A O no hydrogen 3.349 N/A CYS 140.A SG GLU 198.A O no hydrogen 3.811 N/A ARG 141.A N LEU 137.A O no hydrogen 2.923 N/A GLU 142.A N GLN 138.A O no hydrogen 2.735 N/A LYS 143.A N GLU 139.A O no hydrogen 2.739 N/A LEU 146.A N CYS 140.A O no hydrogen 3.147 N/A LEU 149.A N LEU 146.A O no hydrogen 3.012 N/A ARG 150.A N GLN 181.A O no hydrogen 3.201 N/A ARG 150.A NH1 VAL 224.A O no hydrogen 3.101 N/A ASP 152.A N GLN 181.A OE1 no hydrogen 3.377 N/A SER 153.A N SER 10.A OG no hydrogen 2.973 N/A LYS 154.A N SER 179.A O no hydrogen 2.934 N/A SER 155.A N SER 8.A O no hydrogen 2.873 N/A SER 155.A OG SER 130.A O no hydrogen 2.577 N/A GLN 156.A N VAL 177.A O no hydrogen 3.110 N/A VAL 157.A N SER 6.A O no hydrogen 2.888 N/A LEU 159.A N PHE 4.A O no hydrogen 2.652 N/A GLU 160.A N ARG 172.A O no hydrogen 2.744 N/A TYR 161.A N PHE 2.A O no hydrogen 2.593 N/A TYR 161.A OH GLU 118.A OE2 no hydrogen 2.239 N/A GLU 162.A N LYS 169.A O no hydrogen 3.109 N/A VAL 164.A N HIS 167.A O no hydrogen 2.755 N/A HIS 167.A N VAL 164.A O no hydrogen 3.463 N/A LYS 169.A N GLU 162.A O no hydrogen 2.865 N/A ILE 171.A N GLU 160.A O no hydrogen 3.238 N/A VAL 173.A N LEU 208.A O no hydrogen 3.183 N/A THR 175.A N THR 158.A O no hydrogen 3.198 N/A ILE 176.A N LEU 214.A O no hydrogen 2.918 N/A VAL 177.A N GLN 156.A O no hydrogen 2.899 N/A ILE 178.A N TYR 216.A O no hydrogen 2.911 N/A SER 179.A N LYS 154.A O no hydrogen 2.901 N/A THR 180.A N ASN 218.A OD1 no hydrogen 3.421 N/A THR 180.A OG1 GLN 181.A O no hydrogen 3.300 N/A GLN 181.A N ASP 152.A O no hydrogen 2.829 N/A GLN 181.A NE2 LYS 81.A O no hydrogen 2.847 N/A GLN 181.A NE2 VAL 224.A O no hydrogen 2.783 N/A HIS 182.A N PHE 223.A O no hydrogen 2.949 N/A HIS 182.A ND1 ALA 183.A O no hydrogen 3.083 N/A ALA 183.A N TRP 148.A O no hydrogen 2.891 N/A GLU 189.A N SER 187.A OG no hydrogen 3.081 N/A GLU 190.A N SER 187.A OG no hydrogen 3.345 N/A ILE 191.A N SER 187.A O no hydrogen 2.909 N/A ALA 192.A N ASN 188.A O no hydrogen 3.380 N/A LYS 193.A N GLU 189.A O no hydrogen 3.165 N/A GLY 194.A N GLU 190.A O no hydrogen 3.175 N/A LEU 195.A N ILE 191.A O no hydrogen 2.832 N/A GLU 196.A N ALA 192.A O no hydrogen 2.976 N/A GLU 197.A N LYS 193.A O no hydrogen 2.974 N/A GLU 198.A N GLY 194.A O no hydrogen 2.864 N/A VAL 199.A N LEU 195.A O no hydrogen 3.251 N/A THR 200.A N LEU 195.A O no hydrogen 3.012 N/A THR 200.A OG1 LEU 195.A O no hydrogen 3.059 N/A THR 200.A OG1 TYR 217.A OH no hydrogen 2.893 N/A GLN 201.A N GLU 196.A O no hydrogen 3.102 N/A VAL 203.A N THR 200.A O no hydrogen 3.261 N/A ILE 204.A N THR 200.A O no hydrogen 2.776 N/A LEU 208.A N PRO 205.A O no hydrogen 3.197 N/A MET 209.A N PRO 205.A O no hydrogen 3.052 N/A MET 209.A N LYS 206.A O no hydrogen 3.224 N/A ASP 211.A N ASP 211.A OD1 no hydrogen 2.583 N/A LEU 214.A N HIS 174.A O no hydrogen 3.144 N/A TYR 216.A N ILE 176.A O no hydrogen 2.881 N/A ASN 218.A N ILE 178.A O no hydrogen 3.103 N/A ASN 218.A ND2 THR 180.A O no hydrogen 2.694 N/A GLY 221.A N ASN 218.A O no hydrogen 2.864 N/A ARG 222.A NH1 VAL 186.A O no hydrogen 2.728 N/A ARG 222.A NH2 ASP 184.A O no hydrogen 3.166 N/A GLY 227.A N ASP 152.A OD2 no hydrogen 3.076 N/A GLY 233.A N THR 44.A O no hydrogen 3.011 N/A LEU 234.A N ASP 15.A OD1 no hydrogen 2.854 N/A THR 235.A N THR 42.A O no hydrogen 3.103 N/A THR 235.A OG1 SER 22.A OG no hydrogen 3.083 N/A THR 235.A OG1 THR 42.A O no hydrogen 3.173 N/A GLY 236.A N ASP 19.A OD1 no hydrogen 3.044 N/A LYS 238.A NZ ASP 15.A OD2 no hydrogen 2.720 N/A ASP 242.A N LYS 238.A O no hydrogen 3.250 N/A THR 243.A N ILE 240.A O no hydrogen 3.033 N/A THR 243.A OG1 ILE 239.A O no hydrogen 3.108 N/A THR 243.A OG1 ILE 240.A O no hydrogen 3.119 N/A GLY 245.A N ILE 240.A O no hydrogen 3.147 N/A TRP 247.A N TYR 244.A O no hydrogen 3.189 N/A GLY 252.A N HIS 250.A ND1 no hydrogen 3.197 N/A SER 256.A OG ASP 19.A OD1 no hydrogen 3.353 N/A SER 256.A OG ASP 23.A OD2 no hydrogen 2.753 N/A GLY 257.A N ASP 23.A OD1 no hydrogen 2.903 N/A LYS 258.A N PHE 255.A O no hydrogen 3.418 N/A LYS 258.A NZ ALA 254.A O no hydrogen 2.833 N/A LYS 258.A NZ ASP 264.A OD2 no hydrogen 3.353 N/A ASP 259.A N VAL 38.A O no hydrogen 2.870 N/A SER 260.A OG LEU 339.A O no hydrogen 2.759 N/A SER 261.A N ASP 259.A OD1 no hydrogen 2.645 N/A SER 261.A OG ASP 259.A OD1 no hydrogen 2.591 N/A LYS 262.A N ASP 259.A O no hydrogen 3.138 N/A LYS 262.A NZ ASP 259.A OD2 no hydrogen 2.793 N/A ARG 265.A N LYS 262.A O no hydrogen 2.870 N/A ARG 265.A NE TYR 269.A OH no hydrogen 3.117 N/A ARG 265.A NH1 ASP 23.A OD1 no hydrogen 3.013 N/A ARG 265.A NH1 LYS 258.A O no hydrogen 2.567 N/A ARG 265.A NH2 ASP 23.A OD1 no hydrogen 3.366 N/A ARG 265.A NH2 ASP 23.A OD2 no hydrogen 3.147 N/A SER 266.A N LYS 262.A O no hydrogen 3.271 N/A SER 266.A OG SER 260.A O no hydrogen 2.328 N/A SER 266.A OG LYS 262.A O no hydrogen 2.987 N/A GLY 267.A N VAL 263.A O no hydrogen 2.806 N/A TYR 269.A N ARG 265.A O no hydrogen 2.850 N/A TYR 269.A OH HIS 352.A ND1 no hydrogen 2.856 N/A CYS 270.A N SER 266.A O no hydrogen 2.751 N/A ALA 271.A N GLY 267.A O no hydrogen 2.880 N/A ARG 272.A N ALA 268.A O no hydrogen 3.182 N/A ARG 272.A NE GLU 363.A OE1 no hydrogen 3.210 N/A ARG 272.A NH1 TYR 114.A O no hydrogen 2.954 N/A ARG 272.A NH1 MET 122.A O no hydrogen 3.008 N/A ARG 272.A NH2 GLU 121.A O no hydrogen 2.677 N/A ARG 272.A NH2 GLU 363.A OE1 no hydrogen 2.988 N/A TRP 273.A N TYR 269.A O no hydrogen 2.892 N/A TRP 273.A NE1 PHE 364.A O no hydrogen 2.840 N/A ILE 274.A N CYS 270.A O no hydrogen 2.883 N/A ALA 275.A N ALA 271.A O no hydrogen 3.023 N/A LYS 276.A N ARG 272.A O no hydrogen 2.806 N/A LYS 276.A NZ GLU 363.A O no hydrogen 2.588 N/A LYS 276.A NZ GLU 363.A OE1 no hydrogen 2.610 N/A SER 277.A N TRP 273.A O no hydrogen 2.840 N/A SER 277.A OG TRP 273.A O no hydrogen 2.566 N/A LEU 278.A N ILE 274.A O no hydrogen 2.713 N/A VAL 279.A N ALA 275.A O no hydrogen 3.070 N/A HIS 280.A N LYS 276.A O no hydrogen 3.230 N/A ALA 281.A N SER 277.A O no hydrogen 2.914 N/A GLY 282.A N VAL 279.A O no hydrogen 3.412 N/A LEU 283.A N LEU 278.A O no hydrogen 3.354 N/A CYS 284.A SG LEU 278.A O no hydrogen 3.825 N/A HIS 285.A N THR 310.A OG1 no hydrogen 2.837 N/A ARG 286.A N THR 310.A OG1 no hydrogen 2.926 N/A ARG 286.A NE TYR 114.A OH no hydrogen 3.368 N/A VAL 287.A N ALA 115.A O no hydrogen 3.066 N/A LEU 288.A N ASN 306.A O no hydrogen 2.965 N/A GLN 290.A N ASN 304.A O no hydrogen 2.590 N/A LEU 291.A N MET 111.A O no hydrogen 2.787 N/A SER 292.A OG SER 302.A OG no hydrogen 2.623 N/A TYR 293.A N GLY 109.A O no hydrogen 2.980 N/A TYR 293.A OH MET 328.A O no hydrogen 2.545 N/A GLY 296.A N ALA 105.A O no hydrogen 2.887 N/A VAL 297.A N ALA 294.A O no hydrogen 3.137 N/A LEU 301.A N SER 292.A O no hydrogen 2.850 N/A SER 302.A N SER 292.A O no hydrogen 3.406 N/A SER 302.A OG SER 292.A OG no hydrogen 2.623 N/A ASN 304.A N GLN 290.A O no hydrogen 2.915 N/A ASN 306.A N LEU 288.A O no hydrogen 2.820 N/A GLY 309.A N THR 307.A O no hydrogen 2.755 N/A THR 310.A OG1 ARG 286.A O no hydrogen 3.531 N/A ILE 312.A N LEU 283.A O no hydrogen 3.087 N/A ILE 317.A N ASP 314.A O no hydrogen 3.243 N/A VAL 319.A N GLU 315.A O no hydrogen 3.175 N/A ILE 321.A N ILE 317.A O no hydrogen 2.971 N/A VAL 322.A N LEU 318.A O no hydrogen 2.935 N/A ASN 323.A N VAL 319.A O no hydrogen 3.382 N/A LYS 324.A N ASP 320.A O no hydrogen 2.948 N/A ASN 325.A N ILE 321.A O no hydrogen 3.241 N/A ASN 325.A N VAL 322.A O no hydrogen 3.232 N/A ASN 325.A ND2 GLU 369.A O no hydrogen 3.519 N/A PHE 326.A N VAL 322.A O no hydrogen 2.978 N/A MET 332.A N ARG 329.A O no hydrogen 2.752 N/A ILE 333.A N ARG 329.A O no hydrogen 3.037 N/A ILE 334.A N PRO 330.A O no hydrogen 3.156 N/A GLU 336.A N MET 332.A O no hydrogen 2.774 N/A LEU 337.A N ILE 333.A O no hydrogen 3.026 N/A GLY 338.A N LYS 335.A O no hydrogen 3.362 N/A LEU 339.A N ILE 334.A O no hydrogen 2.913 N/A ARG 341.A NE GLY 338.A O no hydrogen 3.341 N/A ILE 343.A N ARG 341.A O no hydrogen 2.923 N/A PHE 344.A N ASP 27.A OD1 no hydrogen 2.873 N/A GLN 345.A N ASP 27.A OD2 no hydrogen 3.052 N/A LYS 346.A NZ ASP 357.A OD1 no hydrogen 2.840 N/A LYS 346.A NZ ASP 357.A OD2 no hydrogen 3.199 N/A LYS 346.A NZ ASP 359.A OD2 no hydrogen 2.731 N/A THR 347.A OG1 HIS 352.A ND1 no hydrogen 3.412 N/A ALA 348.A N GLN 345.A O no hydrogen 3.000 N/A HIS 352.A N ASP 242.A O no hydrogen 2.839 N/A HIS 352.A ND1 TYR 269.A OH no hydrogen 2.856 N/A GLY 354.A N GLU 363.A OE2 no hydrogen 2.606 N/A ARG 355.A NE GLY 351.A O no hydrogen 3.395 N/A ARG 355.A NH2 LYS 346.A O no hydrogen 2.507 N/A ARG 355.A NH2 GLY 351.A O no hydrogen 3.513 N/A ASP 359.A N ASP 357.A OD2 no hydrogen 2.782 N/A PHE 360.A N ASP 357.A O no hydrogen 3.042 N/A LYS 361.A N ASP 359.A O no hydrogen 2.831 N/A GLU 363.A N PHE 360.A O no hydrogen 2.969 N/A LYS 366.A N SER 277.A OG no hydrogen 3.354 N/A LYS 366.A NZ ASN 325.A O no hydrogen 2.420 N/A GLU 369.A N ASN 325.A OD1 no hydrogen 3.168 N/A LEU 374.A N PRO 371.A O no hydrogen 3.075 N/A