Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s46_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ARG 359.A O no hydrogen 2.882 N/A SER 4.A OG LYS 2.A O no hydrogen 3.301 N/A ARG 7.A N SER 4.A O no hydrogen 3.235 N/A ARG 7.A NH1 ASP 282.A OD1 no hydrogen 3.175 N/A ARG 7.A NH1 ASP 282.A OD2 no hydrogen 2.950 N/A ARG 7.A NH2 ASP 282.A OD1 no hydrogen 2.779 N/A ARG 7.A NH2 ARG 359.A O no hydrogen 3.482 N/A THR 9.A OG1 SER 245.A OG no hydrogen 2.739 N/A THR 9.A OG1 PRO 277.A O no hydrogen 2.680 N/A LYS 10.A N GLU 244.A O no hydrogen 2.871 N/A LYS 10.A NZ GLU 363.A OE1 no hydrogen 3.130 N/A ALA 11.A N PRO 361.A O no hydrogen 2.992 N/A LEU 12.A N THR 242.A O no hydrogen 2.841 N/A ILE 13.A N GLU 363.A O no hydrogen 2.856 N/A HIS 14.A N ALA 240.A O no hydrogen 2.849 N/A LEU 15.A N TYR 365.A O no hydrogen 2.761 N/A ILE 18.A N HIS 14.A O no hydrogen 3.394 N/A ARG 19.A N LEU 15.A O no hydrogen 2.933 N/A ARG 19.A NE ALA 53.A O no hydrogen 3.329 N/A ARG 19.A NH2 ALA 53.A O no hydrogen 3.119 N/A GLN 20.A N GLY 16.A O no hydrogen 2.888 N/A GLN 20.A NE2 GLY 16.A O no hydrogen 3.414 N/A ASN 21.A N ALA 17.A O no hydrogen 2.897 N/A ASN 21.A ND2 MET 221.A O no hydrogen 3.046 N/A ASN 21.A ND2 ILE 238.A O no hydrogen 2.843 N/A ILE 22.A N ILE 18.A O no hydrogen 3.031 N/A GLN 23.A N ARG 19.A O no hydrogen 3.039 N/A GLN 24.A N GLN 20.A O no hydrogen 2.784 N/A GLN 24.A NE2 ASP 236.A O no hydrogen 3.051 N/A MET 25.A N ASN 21.A O no hydrogen 2.970 N/A GLY 26.A N ILE 22.A O no hydrogen 2.865 N/A ALA 27.A N GLN 23.A O no hydrogen 2.977 N/A ALA 27.A N GLN 24.A O no hydrogen 3.099 N/A HIS 28.A N MET 25.A O no hydrogen 3.025 N/A HIS 28.A ND1 GLN 24.A O no hydrogen 2.844 N/A THR 33.A N PRO 30.A O no hydrogen 3.059 N/A THR 33.A OG1 PRO 30.A O no hydrogen 2.928 N/A LEU 34.A N ASN 213.A O no hydrogen 3.037 N/A LYS 35.A N ASP 59.A OD1 no hydrogen 2.789 N/A LEU 36.A N VAL 215.A O no hydrogen 2.885 N/A ALA 37.A N GLY 60.A O no hydrogen 2.893 N/A VAL 38.A N MET 217.A O no hydrogen 2.868 N/A VAL 39.A N CYS 62.A O no hydrogen 2.825 N/A ALA 42.A N VAL 39.A O no hydrogen 2.822 N/A GLY 44.A N ALA 40.A O no hydrogen 2.975 N/A HIS 45.A N ALA 42.A O no hydrogen 2.828 N/A HIS 45.A ND1 ALA 42.A O no hydrogen 3.049 N/A HIS 45.A ND1 TYR 43.A O no hydrogen 3.024 N/A GLY 46.A N ASN 41.A O no hydrogen 2.878 N/A ALA 47.A N ASN 41.A OD1 no hydrogen 2.799 N/A VAL 50.A N GLY 46.A O no hydrogen 2.920 N/A ALA 51.A N ALA 47.A O no hydrogen 2.852 N/A LYS 52.A N VAL 48.A O no hydrogen 2.976 N/A ALA 53.A N ALA 49.A O no hydrogen 3.099 N/A ILE 54.A N VAL 50.A O no hydrogen 3.156 N/A ASP 57.A N ILE 54.A O no hydrogen 2.843 N/A VAL 58.A N GLN 55.A O no hydrogen 3.416 N/A ASP 59.A N LYS 35.A O no hydrogen 2.731 N/A PHE 61.A N PRO 80.A O no hydrogen 2.896 N/A CYS 62.A N ALA 37.A O no hydrogen 2.821 N/A VAL 63.A N LEU 82.A O no hydrogen 2.892 N/A SER 64.A N GLU 68.A OE1 no hydrogen 2.782 N/A SER 64.A OG GLU 68.A OE1 no hydrogen 2.559 N/A GLU 68.A N ASN 65.A OD1 no hydrogen 2.913 N/A ALA 69.A N ASN 65.A O no hydrogen 3.207 N/A ILE 70.A N ILE 66.A O no hydrogen 2.756 N/A GLU 71.A N ASP 67.A O no hydrogen 2.993 N/A LEU 72.A N GLU 68.A O no hydrogen 3.225 N/A ARG 73.A N ALA 69.A O no hydrogen 3.011 N/A ARG 73.A NE TYR 98.A O no hydrogen 3.281 N/A ARG 73.A NH1 LEU 77.A O no hydrogen 2.959 N/A ARG 73.A NH1 LYS 79.A O no hydrogen 2.889 N/A ARG 73.A NH2 LYS 79.A O no hydrogen 3.441 N/A ARG 73.A NH2 ASP 99.A O no hydrogen 3.538 N/A GLN 74.A N ILE 70.A O no hydrogen 2.828 N/A ALA 75.A N GLU 71.A O no hydrogen 3.246 N/A ALA 75.A N LEU 72.A O no hydrogen 3.106 N/A GLY 76.A N ARG 73.A O no hydrogen 2.750 N/A LEU 77.A N LEU 72.A O no hydrogen 3.190 N/A SER 78.A N GLN 55.A OE1 no hydrogen 2.849 N/A SER 78.A OG GLN 55.A OE1 no hydrogen 3.552 N/A LYS 79.A N GLN 55.A OE1 no hydrogen 3.050 N/A LYS 79.A NZ GLN 55.A O no hydrogen 2.817 N/A LYS 79.A NZ VAL 58.A O no hydrogen 2.713 N/A LEU 82.A N PHE 61.A O no hydrogen 2.810 N/A ILE 83.A N THR 101.A O no hydrogen 2.832 N/A LEU 84.A N VAL 63.A O no hydrogen 2.835 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.857 N/A ALA 91.A N GLU 88.A O no hydrogen 3.108 N/A VAL 92.A N ILE 89.A O no hydrogen 3.363 N/A ALA 95.A N ALA 91.A O no hydrogen 3.065 N/A LYS 96.A N VAL 92.A O no hydrogen 2.909 N/A LYS 96.A NZ THR 121.A O no hydrogen 2.549 N/A GLU 97.A N ALA 93.A O no hydrogen 3.188 N/A TYR 98.A N LEU 94.A O no hydrogen 3.158 N/A ASP 99.A N LYS 96.A O no hydrogen 3.128 N/A PHE 100.A N ALA 95.A O no hydrogen 3.023 N/A THR 101.A N ILE 81.A O no hydrogen 2.871 N/A LEU 102.A N THR 124.A O no hydrogen 3.021 N/A THR 103.A OG1 ILE 83.A O no hydrogen 2.646 N/A THR 103.A OG1 LEU 84.A O no hydrogen 3.397 N/A VAL 104.A N HIS 126.A O no hydrogen 2.855 N/A TRP 109.A NE1 SER 87.A O no hydrogen 2.685 N/A ILE 110.A N GLY 106.A O no hydrogen 3.429 N/A GLN 111.A N LEU 107.A O no hydrogen 3.032 N/A ALA 112.A N GLU 108.A O no hydrogen 2.993 N/A LEU 113.A N TRP 109.A O no hydrogen 2.984 N/A LEU 114.A N ILE 110.A O no hydrogen 2.915 N/A ASP 115.A N GLN 111.A O no hydrogen 2.937 N/A LYS 116.A N ALA 112.A O no hydrogen 3.311 N/A THR 121.A N ASP 119.A OD1 no hydrogen 3.118 N/A GLY 122.A N GLY 154.A O no hydrogen 2.928 N/A LEU 123.A N LEU 120.A O no hydrogen 3.081 N/A VAL 125.A N CYS 156.A O no hydrogen 3.083 N/A HIS 126.A N LEU 102.A O no hydrogen 2.840 N/A HIS 126.A ND1 HIS 197.A NE2 no hydrogen 3.009 N/A HIS 126.A NE2 GLU 158.A OE1 no hydrogen 2.914 N/A LEU 127.A N GLY 159.A O no hydrogen 3.011 N/A ASP 129.A N PHE 137.A O no hydrogen 2.969 N/A SER 130.A OG THR 162.A OG1 no hydrogen 2.833 N/A GLY 131.A N ASP 129.A OD1 no hydrogen 2.922 N/A GLY 133.A N ASP 129.A OD1 no hydrogen 2.793 N/A ARG 138.A N GLU 142.A OE1 no hydrogen 3.209 N/A ARG 138.A NH1 ASP 129.A OD2 no hydrogen 2.955 N/A GLU 139.A N GLU 142.A OE1 no hydrogen 3.046 N/A VAL 143.A N GLU 139.A O no hydrogen 3.291 N/A GLN 145.A N SER 141.A O no hydrogen 3.171 N/A ALA 146.A N GLU 142.A O no hydrogen 3.071 N/A GLN 147.A N VAL 143.A O no hydrogen 2.900 N/A GLN 147.A NE2 GLU 191.A O no hydrogen 2.925 N/A ASP 148.A N GLU 144.A O no hydrogen 3.040 N/A LEU 149.A N GLN 145.A O no hydrogen 2.872 N/A LEU 150.A N ALA 146.A O no hydrogen 2.953 N/A GLN 151.A N GLN 147.A O no hydrogen 3.101 N/A GLN 152.A N ASP 148.A O no hydrogen 3.110 N/A HIS 153.A N LEU 150.A O no hydrogen 3.055 N/A HIS 153.A ND1 LEU 149.A O no hydrogen 2.980 N/A GLY 154.A N GLN 151.A O no hydrogen 3.187 N/A VAL 155.A N LEU 150.A O no hydrogen 3.084 N/A CYS 156.A N LEU 123.A O no hydrogen 2.798 N/A GLU 158.A N VAL 125.A O no hydrogen 3.076 N/A ILE 160.A N LEU 195.A O no hydrogen 3.003 N/A PHE 161.A N LEU 127.A O no hydrogen 2.911 N/A THR 162.A N HIS 197.A O no hydrogen 3.362 N/A THR 162.A OG1 ILE 128.A O no hydrogen 2.595 N/A THR 162.A OG1 SER 130.A OG no hydrogen 2.833 N/A ALA 165.A N GLN 178.A OE1 no hydrogen 2.895 N/A GLU 169.A N THR 166.A O no hydrogen 3.392 N/A ASP 173.A N SER 171.A OG no hydrogen 3.333 N/A TYR 174.A OH GLY 131.A O no hydrogen 2.514 N/A ASN 176.A N ASP 172.A O no hydrogen 2.817 N/A ALA 177.A N ASP 173.A O no hydrogen 3.070 N/A GLN 178.A N TYR 174.A O no hydrogen 3.052 N/A GLN 178.A NE2 SER 130.A OG no hydrogen 2.899 N/A GLN 178.A NE2 HIS 163.A O no hydrogen 3.042 N/A LEU 179.A N PHE 175.A O no hydrogen 2.942 N/A GLU 180.A N ASN 176.A O no hydrogen 2.921 N/A ARG 181.A N ALA 177.A O no hydrogen 2.942 N/A ARG 181.A NH2 ARG 138.A O no hydrogen 2.600 N/A ARG 181.A NH2 GLU 139.A OE1 no hydrogen 3.291 N/A PHE 182.A N GLN 178.A O no hydrogen 2.912 N/A LYS 183.A N LEU 179.A O no hydrogen 2.891 N/A LYS 183.A NZ GLU 180.A OE2 no hydrogen 3.501 N/A THR 184.A N GLU 180.A O no hydrogen 2.806 N/A THR 184.A OG1 GLU 180.A O no hydrogen 2.853 N/A ILE 185.A N ARG 181.A O no hydrogen 2.921 N/A LEU 186.A N PHE 182.A O no hydrogen 2.954 N/A ALA 187.A N LYS 183.A O no hydrogen 2.937 N/A SER 188.A N THR 184.A O no hydrogen 3.261 N/A SER 188.A N ILE 185.A O no hydrogen 2.982 N/A SER 188.A OG THR 184.A O no hydrogen 2.966 N/A MET 189.A N LEU 186.A O no hydrogen 3.286 N/A LYS 190.A N GLU 144.A OE2 no hydrogen 2.787 N/A LEU 195.A N GLU 158.A O no hydrogen 2.943 N/A VAL 196.A N ASN 213.A OD1 no hydrogen 2.815 N/A HIS 197.A N ILE 160.A O no hydrogen 3.196 N/A HIS 197.A NE2 HIS 126.A ND1 no hydrogen 3.009 N/A THR 203.A N ASN 200.A OD1 no hydrogen 2.846 N/A THR 203.A OG1 ASN 200.A OD1 no hydrogen 2.800 N/A THR 204.A N ASN 200.A O no hydrogen 2.932 N/A THR 204.A OG1 ASN 200.A O no hydrogen 2.776 N/A LEU 205.A N SER 201.A O no hydrogen 2.797 N/A TRP 206.A N ALA 202.A O no hydrogen 2.886 N/A TRP 206.A NE1 ASP 232.A O no hydrogen 2.919 N/A HIS 207.A N THR 203.A O no hydrogen 2.761 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.729 N/A THR 210.A N HIS 207.A O no hydrogen 3.002 N/A THR 210.A OG1 HIS 207.A O no hydrogen 2.733 N/A ILE 211.A N VAL 208.A O no hydrogen 3.135 N/A ASN 213.A N VAL 196.A O no hydrogen 2.853 N/A VAL 215.A N LEU 34.A O no hydrogen 2.900 N/A ARG 216.A N SER 199.A O no hydrogen 2.676 N/A ARG 216.A NH1 THR 162.A O no hydrogen 3.450 N/A ARG 216.A NH1 HIS 197.A ND1 no hydrogen 2.832 N/A ARG 216.A NH2 THR 162.A O no hydrogen 2.889 N/A ARG 216.A NH2 HIS 163.A ND1 no hydrogen 3.041 N/A MET 217.A N LEU 36.A O no hydrogen 2.820 N/A GLY 218.A N SER 201.A OG no hydrogen 3.111 N/A ALA 220.A N SER 201.A OG no hydrogen 3.091 N/A MET 221.A N GLY 218.A O no hydrogen 2.857 N/A TYR 222.A N GLY 218.A O no hydrogen 3.444 N/A TYR 222.A OH VAL 38.A O no hydrogen 2.669 N/A GLY 223.A N ALA 220.A O no hydrogen 3.013 N/A LEU 224.A N ASP 219.A O no hydrogen 2.980 N/A ASN 225.A ND2 LEU 231.A O no hydrogen 2.863 N/A SER 227.A N ASN 225.A OD1 no hydrogen 2.933 N/A SER 227.A OG ASN 225.A OD1 no hydrogen 2.741 N/A SER 227.A OG LEU 231.A O no hydrogen 3.469 N/A GLY 228.A N ASN 225.A O no hydrogen 2.970 N/A VAL 230.A N SER 227.A O no hydrogen 3.172 N/A LEU 231.A N SER 227.A OG no hydrogen 2.883 N/A ILE 238.A N ASN 21.A OD1 no hydrogen 2.886 N/A ALA 240.A N TYR 222.A O no hydrogen 2.921 N/A THR 242.A N LEU 12.A O no hydrogen 2.877 N/A LEU 243.A N ILE 328.A O no hydrogen 2.810 N/A GLU 244.A N LYS 10.A O no hydrogen 2.939 N/A SER 245.A N VAL 325.A O no hydrogen 2.914 N/A SER 245.A OG THR 9.A OG1 no hydrogen 2.739 N/A ALA 246.A N SER 245.A OG no hydrogen 2.713 N/A LEU 247.A N THR 323.A O no hydrogen 3.059 N/A VAL 248.A N THR 275.A O no hydrogen 2.947 N/A LYS 251.A N ILE 273.A O no hydrogen 2.940 N/A VAL 253.A N GLN 271.A O no hydrogen 2.839 N/A GLY 256.A N ALA 267.A O no hydrogen 2.831 N/A ALA 257.A N PRO 254.A O no hydrogen 3.406 N/A CYS 258.A SG GLY 256.A O no hydrogen 3.858 N/A MET 259.A N TYR 265.A O no hydrogen 3.014 N/A ALA 263.A N GLY 260.A O no hydrogen 3.031 N/A TYR 265.A OH GLN 271.A OE1 no hydrogen 2.636 N/A GLN 266.A NE2 GLY 256.A O no hydrogen 2.861 N/A ALA 267.A N ALA 257.A O no hydrogen 2.833 N/A SER 269.A OG ASP 268.A OD1 no hydrogen 3.443 N/A GLN 271.A N VAL 253.A O no hydrogen 2.978 N/A GLN 271.A NE2 SER 269.A O no hydrogen 3.045 N/A ILE 273.A N LYS 251.A O no hydrogen 2.896 N/A ALA 274.A N ILE 313.A O no hydrogen 2.891 N/A THR 275.A N HIS 249.A O no hydrogen 2.880 N/A VAL 276.A N ILE 311.A O no hydrogen 2.870 N/A ILE 278.A N VAL 276.A O no hydrogen 2.935 N/A GLY 279.A N ASP 282.A OD2 no hydrogen 3.016 N/A TYR 280.A N SER 307.A O no hydrogen 3.113 N/A ALA 281.A N MET 308.A O no hydrogen 2.915 N/A ASP 282.A N GLY 279.A O no hydrogen 2.925 N/A GLY 283.A N TYR 280.A O no hydrogen 2.920 N/A TRP 284.A N GLY 279.A O no hydrogen 3.296 N/A THR 285.A OG1 ASP 287.A OD1 no hydrogen 2.546 N/A MET 288.A N THR 285.A O no hydrogen 2.994 N/A GLN 289.A N ARG 286.A O no hydrogen 3.211 N/A GLN 289.A NE2 THR 264.A OG1 no hydrogen 2.970 N/A ASN 290.A N ILE 302.A O no hydrogen 2.830 N/A ASN 290.A ND2 ILE 302.A O no hydrogen 3.680 N/A PHE 291.A N MET 288.A O no hydrogen 3.004 N/A VAL 293.A N CYS 300.A O no hydrogen 2.881 N/A LEU 294.A N THR 326.A O no hydrogen 2.856 N/A VAL 295.A N GLN 298.A O no hydrogen 2.995 N/A GLY 297.A N ASN 331.A OD1 no hydrogen 2.781 N/A GLN 298.A N VAL 295.A O no hydrogen 3.051 N/A GLN 298.A NE2 ASP 296.A O no hydrogen 3.066 N/A GLN 298.A NE2 TYR 319.A OH no hydrogen 2.996 N/A CYS 300.A N VAL 293.A O no hydrogen 2.844 N/A CYS 300.A SG GLN 298.A O no hydrogen 3.720 N/A ILE 302.A N PHE 291.A O no hydrogen 2.871 N/A VAL 303.A N THR 312.A O no hydrogen 2.911 N/A SER 307.A N GLN 310.A O no hydrogen 3.020 N/A ILE 311.A N VAL 276.A O no hydrogen 2.942 N/A THR 312.A OG1 VAL 303.A O no hydrogen 2.785 N/A ILE 313.A N ALA 274.A O no hydrogen 2.813 N/A ARG 314.A N PRO 301.A O no hydrogen 2.932 N/A LEU 315.A N VAL 272.A O no hydrogen 2.884 N/A TYR 319.A OH ASP 296.A OD2 no hydrogen 2.542 N/A GLY 322.A N LEU 247.A O no hydrogen 2.808 N/A THR 323.A N PRO 320.A O no hydrogen 3.232 N/A THR 323.A OG1 PRO 320.A O no hydrogen 2.649 N/A VAL 325.A N SER 245.A O no hydrogen 2.964 N/A THR 326.A N LEU 294.A O no hydrogen 2.861 N/A LEU 327.A N LEU 243.A O no hydrogen 2.826 N/A ILE 328.A N LEU 243.A O no hydrogen 3.259 N/A GLY 329.A N ILE 336.A O no hydrogen 2.793 N/A ASN 331.A N LYS 334.A O no hydrogen 2.918 N/A ASN 331.A ND2 THR 326.A OG1 no hydrogen 2.729 N/A LYS 334.A N ASN 331.A O no hydrogen 3.191 N/A ILE 336.A N GLY 329.A O no hydrogen 2.960 N/A THR 337.A N GLN 340.A OE1 no hydrogen 2.875 N/A THR 337.A OG1 GLN 340.A OE1 no hydrogen 3.420 N/A GLN 340.A N THR 337.A OG1 no hydrogen 2.942 N/A VAL 341.A N THR 337.A O no hydrogen 3.098 N/A ALA 342.A N ALA 338.A O no hydrogen 2.936 N/A THR 343.A N THR 339.A O no hydrogen 2.855 N/A THR 343.A OG1 THR 339.A O no hydrogen 3.031 N/A TYR 344.A N GLN 340.A O no hydrogen 3.065 N/A TYR 344.A OH GLN 289.A O no hydrogen 2.814 N/A ARG 345.A N VAL 341.A O no hydrogen 3.098 N/A ARG 345.A NH2 GLY 283.A O no hydrogen 3.445 N/A VAL 346.A N THR 343.A O no hydrogen 3.039 N/A THR 347.A N ALA 342.A O no hydrogen 2.720 N/A THR 347.A OG1 GLU 351.A OE1 no hydrogen 2.543 N/A ASN 349.A ND2 ASN 225.A O no hydrogen 2.918 N/A ASN 349.A ND2 THR 339.A OG1 no hydrogen 2.829 N/A GLU 351.A N ILE 348.A O no hydrogen 3.065 N/A VAL 352.A N ILE 348.A O no hydrogen 3.405 N/A VAL 353.A N ASN 349.A O no hydrogen 3.241 N/A CYS 354.A N TYR 350.A O no hydrogen 3.126 N/A CYS 354.A SG TYR 350.A O no hydrogen 3.355 N/A LEU 355.A N GLU 351.A O no hydrogen 3.028 N/A LEU 356.A N VAL 353.A O no hydrogen 3.309 N/A SER 357.A N ASP 282.A O no hydrogen 2.910 N/A SER 357.A OG ALA 281.A O no hydrogen 3.004 N/A ARG 359.A N SER 357.A OG no hydrogen 3.169 N/A ARG 359.A NE ASP 282.A OD1 no hydrogen 2.867 N/A ARG 359.A NH1 ASP 309.A OD2 no hydrogen 2.861 N/A ARG 359.A NH2 ASP 282.A OD1 no hydrogen 3.524 N/A ARG 359.A NH2 ASP 282.A OD2 no hydrogen 3.051 N/A ARG 359.A NH2 MET 308.A O no hydrogen 3.302 N/A ARG 359.A NH2 ASP 309.A OD2 no hydrogen 2.832 N/A ILE 360.A N SER 357.A O no hydrogen 3.212 N/A ARG 362.A NE GLY 44.A O no hydrogen 2.981 N/A ARG 362.A NH1 SER 357.A O no hydrogen 2.821 N/A ARG 362.A NH1 ILE 360.A O no hydrogen 2.795 N/A ARG 362.A NH2 GLY 44.A O no hydrogen 2.751 N/A ARG 362.A NH2 LEU 356.A O no hydrogen 2.894 N/A GLU 363.A N ALA 11.A O no hydrogen 2.884 N/A TYR 364.A OH HIS 45.A O no hydrogen 2.773 N/A TYR 365.A N ILE 13.A O no hydrogen 2.881 N/A TYR 365.A OH GLU 363.A OE1 no hydrogen 2.804 N/A