Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ALA 1.A O no hydrogen 3.398 N/A SER 7.A N CYS 3.A O no hydrogen 3.326 N/A SER 7.A OG LEU 387.A O no hydrogen 3.455 N/A LEU 8.A N PHE 4.A O no hydrogen 3.363 N/A LEU 10.A N SER 7.A O no hydrogen 3.259 N/A LEU 11.A N SER 7.A O no hydrogen 2.799 N/A ALA 12.A N LEU 8.A O no hydrogen 2.870 N/A VAL 14.A N LEU 10.A O no hydrogen 3.126 N/A CYS 15.A N LEU 11.A O no hydrogen 3.199 N/A CYS 15.A SG LEU 11.A O no hydrogen 3.301 N/A THR 16.A N ALA 12.A O no hydrogen 3.174 N/A THR 16.A OG1 ALA 12.A O no hydrogen 3.455 N/A ILE 19.A N CYS 15.A O no hydrogen 2.749 N/A GLN 20.A N THR 16.A O no hydrogen 3.080 N/A TYR 21.A N ASN 17.A O no hydrogen 3.308 N/A TYR 22.A N ARG 18.A O no hydrogen 3.218 N/A PHE 23.A N ILE 19.A O no hydrogen 3.163 N/A PHE 23.A N GLN 20.A O no hydrogen 2.911 N/A LEU 24.A N GLN 20.A O no hydrogen 3.198 N/A LEU 24.A N TYR 21.A O no hydrogen 3.108 N/A TYR 25.A N TYR 22.A O no hydrogen 3.378 N/A VAL 28.A N LYS 369.A O no hydrogen 2.795 N/A LYS 30.A N GLU 367.A O no hydrogen 2.783 N/A ASP 32.A N THR 365.A O no hydrogen 3.080 N/A VAL 34.A N TYR 363.A O no hydrogen 2.867 N/A ALA 36.A N ASN 362.A OD1 no hydrogen 2.790 N/A LEU 39.A N THR 163.A O no hydrogen 2.897 N/A PHE 41.A N LEU 161.A O no hydrogen 3.032 N/A ALA 43.A N HIS 204.A O no hydrogen 2.860 N/A VAL 44.A N PHE 151.A O no hydrogen 3.002 N/A THR 45.A N GLN 202.A O no hydrogen 3.040 N/A THR 45.A OG1 THR 150.A OG1 no hydrogen 2.623 N/A THR 45.A OG1 HIS 204.A NE2 no hydrogen 2.813 N/A PHE 46.A N TYR 149.A O no hydrogen 2.901 N/A CYS 47.A N LYS 200.A O no hydrogen 2.872 N/A CYS 47.A SG THR 143.A OG1 no hydrogen 3.685 N/A ASN 48.A ND2 ILE 178.A O no hydrogen 2.831 N/A LEU 49.A N GLY 198.A O no hydrogen 3.057 N/A ASN 50.A N ASN 48.A OD1 no hydrogen 2.922 N/A ASN 50.A ND2 PHE 52.A O no hydrogen 2.973 N/A ASN 50.A ND2 HIS 117.A NE2 no hydrogen 2.993 N/A ARG 53.A N ALA 115.A O no hydrogen 2.800 N/A ARG 53.A NE ALA 115.A O no hydrogen 3.215 N/A ARG 53.A NH1 GLU 121.A OE1 no hydrogen 3.250 N/A ARG 53.A NH2 ARG 114.A O no hydrogen 3.187 N/A PHE 54.A N GLU 182.A O no hydrogen 2.692 N/A SER 55.A N GLU 182.A OE1 no hydrogen 3.031 N/A SER 55.A OG GLU 182.A OE1 no hydrogen 3.086 N/A SER 55.A OG GLU 182.A OE2 no hydrogen 2.584 N/A ARG 56.A N ARG 53.A O no hydrogen 2.850 N/A VAL 57.A N PHE 54.A O no hydrogen 3.382 N/A THR 58.A N ASP 61.A OD2 no hydrogen 2.933 N/A LYS 59.A NZ ASP 94.A O no hydrogen 3.156 N/A LYS 59.A NZ LYS 95.A O no hydrogen 2.941 N/A LYS 59.A NZ ASN 97.A O no hydrogen 2.966 N/A ASN 60.A ND2 LYS 104.A O no hydrogen 3.010 N/A ASP 61.A N THR 58.A OG1 no hydrogen 3.096 N/A LEU 62.A N THR 58.A O no hydrogen 2.875 N/A TYR 63.A N LYS 59.A O no hydrogen 3.020 N/A HIS 64.A N ASN 60.A O no hydrogen 3.202 N/A HIS 64.A N ASP 61.A O no hydrogen 3.130 N/A HIS 64.A ND1 ASN 60.A O no hydrogen 2.850 N/A ALA 65.A N ASP 61.A O no hydrogen 2.809 N/A LEU 69.A N ALA 65.A O no hydrogen 2.990 N/A LEU 69.A N GLY 66.A O no hydrogen 3.205 N/A ALA 70.A N GLU 67.A O no hydrogen 3.178 N/A LEU 71.A N GLY 66.A O no hydrogen 2.991 N/A LEU 72.A N GLY 66.A O no hydrogen 3.247 N/A ASN 73.A N GLU 77.A O no hydrogen 2.957 N/A ARG 75.A N ASN 73.A OD1 no hydrogen 2.720 N/A TYR 76.A N ASN 73.A O no hydrogen 3.268 N/A GLU 77.A N ASN 73.A OD1 no hydrogen 3.164 N/A ALA 84.A N GLN 82.A OE1 no hydrogen 3.350 N/A GLN 88.A N ASP 85.A OD1 no hydrogen 3.153 N/A LEU 89.A N ASP 85.A O no hydrogen 2.944 N/A GLU 90.A N GLU 86.A O no hydrogen 2.935 N/A ILE 91.A N LYS 87.A O no hydrogen 3.073 N/A LEU 92.A N GLN 88.A O no hydrogen 2.907 N/A GLN 93.A N LEU 89.A O no hydrogen 2.838 N/A LYS 95.A N ILE 91.A O no hydrogen 3.153 N/A LYS 95.A NZ VAL 57.A O no hydrogen 2.980 N/A ALA 96.A N LEU 92.A O no hydrogen 2.672 N/A ASN 97.A N ASP 94.A O no hydrogen 3.249 N/A ARG 99.A N ASN 97.A OD1 no hydrogen 3.218 N/A PHE 101.A N PHE 98.A O no hydrogen 3.010 N/A LYS 104.A N ASN 60.A OD1 no hydrogen 2.772 N/A GLU 110.A N ASN 107.A OD1 no hydrogen 2.926 N/A PHE 111.A N ASN 107.A O no hydrogen 3.058 N/A TYR 112.A N MET 108.A O no hydrogen 2.827 N/A TYR 112.A OH GLU 51.A OE1 no hydrogen 2.964 N/A ASP 113.A N LEU 109.A O no hydrogen 2.868 N/A ARG 114.A N GLU 110.A O no hydrogen 2.922 N/A ARG 114.A NE GLU 110.A OE1 no hydrogen 3.194 N/A ARG 114.A NE GLU 110.A OE2 no hydrogen 2.780 N/A ARG 114.A NH1 ASP 61.A OD2 no hydrogen 2.836 N/A ARG 114.A NH2 ASP 61.A OD1 no hydrogen 2.880 N/A ARG 114.A NH2 ASP 61.A OD2 no hydrogen 3.267 N/A ARG 114.A NH2 GLU 110.A OE1 no hydrogen 2.806 N/A ALA 115.A N PHE 111.A O no hydrogen 2.816 N/A GLY 116.A N TYR 112.A O no hydrogen 2.791 N/A HIS 117.A ND1 GLN 179.A OE1 no hydrogen 2.920 N/A ILE 119.A N TYR 149.A OH no hydrogen 3.095 N/A ARG 120.A N ASP 118.A OD1 no hydrogen 2.768 N/A GLU 121.A N ASP 118.A O no hydrogen 2.740 N/A MET 122.A N ASP 118.A O no hydrogen 2.917 N/A LEU 123.A N ILE 119.A O no hydrogen 2.932 N/A LEU 124.A N MET 175.A O no hydrogen 2.886 N/A PHE 127.A N GLU 173.A O no hydrogen 2.941 N/A PHE 128.A N GLU 131.A O no hydrogen 2.813 N/A ARG 129.A N GLY 171.A O no hydrogen 3.166 N/A ARG 129.A NH1 ILE 162.A O no hydrogen 2.848 N/A GLU 131.A N PHE 128.A O no hydrogen 2.938 N/A CYS 133.A N CYS 126.A O no hydrogen 2.903 N/A SER 134.A N ASP 137.A OD2 no hydrogen 2.775 N/A SER 134.A OG GLU 136.A OE1 no hydrogen 2.691 N/A ASP 137.A N SER 134.A O no hydrogen 2.766 N/A PHE 138.A N PRO 135.A O no hydrogen 2.986 N/A LYS 139.A N THR 150.A O no hydrogen 2.910 N/A VAL 141.A N CYS 148.A O no hydrogen 2.852 N/A THR 143.A N GLY 146.A O no hydrogen 2.814 N/A ARG 144.A NH1 ASP 297.A OD1 no hydrogen 3.040 N/A ARG 144.A NH2 ASP 293.A OD1 no hydrogen 3.165 N/A ARG 144.A NH2 ASP 297.A OD1 no hydrogen 2.752 N/A TYR 145.A N THR 143.A OG1 no hydrogen 3.012 N/A GLY 146.A N THR 143.A O no hydrogen 2.918 N/A LYS 147.A NZ ASP 113.A O no hydrogen 2.845 N/A LYS 147.A NZ ASP 113.A OD1 no hydrogen 2.997 N/A CYS 148.A N VAL 141.A O no hydrogen 2.921 N/A CYS 148.A SG THR 143.A OG1 no hydrogen 3.068 N/A CYS 148.A SG GLY 146.A O no hydrogen 3.773 N/A TYR 149.A N PHE 46.A O no hydrogen 3.122 N/A TYR 149.A OH HIS 117.A O no hydrogen 2.609 N/A THR 150.A N LYS 139.A O no hydrogen 2.831 N/A THR 150.A OG1 THR 45.A OG1 no hydrogen 2.623 N/A PHE 151.A N VAL 44.A O no hydrogen 2.669 N/A ASN 152.A ND2 PRO 42.A O no hydrogen 3.186 N/A THR 163.A N LEU 39.A O no hydrogen 2.779 N/A THR 163.A OG1 ASN 170.A O no hydrogen 3.115 N/A MET 164.A N ASN 170.A OD1 no hydrogen 2.942 N/A LYS 165.A N ASN 170.A OD1 no hydrogen 2.896 N/A GLY 167.A N PHE 358.A O no hydrogen 2.981 N/A ASN 170.A N GLY 167.A O no hydrogen 3.203 N/A GLY 171.A N THR 168.A O no hydrogen 2.970 N/A LEU 172.A N ILE 356.A O no hydrogen 2.811 N/A GLU 173.A N PHE 127.A O no hydrogen 2.899 N/A ILE 174.A N LEU 354.A O no hydrogen 3.004 N/A MET 175.A N SER 125.A O no hydrogen 2.973 N/A LEU 176.A N LEU 352.A O no hydrogen 2.766 N/A ASP 177.A N MET 122.A O no hydrogen 2.859 N/A ILE 178.A N ASN 350.A O no hydrogen 3.096 N/A GLN 179.A N ASP 177.A OD1 no hydrogen 2.961 N/A GLN 179.A NE2 GLU 121.A OE1 no hydrogen 2.952 N/A GLN 180.A N ASN 350.A OD1 no hydrogen 2.784 N/A GLN 180.A NE2 GLU 349.A O no hydrogen 3.003 N/A GLU 182.A N GLN 179.A O no hydrogen 2.976 N/A TYR 183.A N GLN 180.A O no hydrogen 2.961 N/A TYR 183.A OH ASN 48.A OD1 no hydrogen 2.896 N/A LEU 184.A N ASN 50.A OD1 no hydrogen 2.904 N/A THR 190.A N THR 193.A OG1 no hydrogen 3.237 N/A THR 190.A OG1 THR 193.A OG1 no hydrogen 3.182 N/A GLU 192.A N THR 190.A OG1 no hydrogen 3.092 N/A THR 193.A N THR 190.A O no hydrogen 3.434 N/A THR 193.A N THR 190.A OG1 no hydrogen 3.158 N/A THR 193.A OG1 GLY 188.A O no hydrogen 3.458 N/A THR 193.A OG1 THR 190.A O no hydrogen 3.446 N/A THR 193.A OG1 THR 190.A OG1 no hydrogen 3.182 N/A SER 194.A OG GLU 196.A O no hydrogen 3.231 N/A GLY 198.A N TYR 183.A OH no hydrogen 3.255 N/A ILE 199.A N VAL 219.A O no hydrogen 3.228 N/A LYS 200.A N CYS 47.A O no hydrogen 2.911 N/A LYS 200.A NZ TYR 145.A OH no hydrogen 3.205 N/A LYS 200.A NZ ILE 212.A O no hydrogen 3.384 N/A VAL 201.A N PHE 217.A O no hydrogen 2.760 N/A GLN 202.A N THR 45.A O no hydrogen 2.819 N/A HIS 204.A N ALA 43.A O no hydrogen 3.021 N/A HIS 204.A ND1 SER 205.A O no hydrogen 2.906 N/A HIS 204.A NE2 THR 45.A OG1 no hydrogen 2.813 N/A SER 205.A OG ASP 207.A OD1 no hydrogen 2.783 N/A GLU 208.A N SER 205.A O no hydrogen 3.194 N/A LEU 211.A N GLN 202.A OE1 no hydrogen 2.881 N/A GLN 214.A N LEU 211.A O no hydrogen 3.135 N/A GLN 214.A NE2 ASP 213.A OD2 no hydrogen 3.385 N/A LEU 215.A N LEU 211.A O no hydrogen 2.932 N/A GLY 216.A N ILE 212.A O no hydrogen 3.249 N/A PHE 217.A N VAL 201.A O no hydrogen 2.721 N/A VAL 219.A N ILE 199.A O no hydrogen 3.078 N/A GLY 222.A N ILE 351.A O no hydrogen 2.782 N/A GLN 224.A N VAL 325.A O no hydrogen 2.805 N/A GLN 224.A NE2 ASP 355.A OD1 no hydrogen 2.894 N/A THR 225.A N VAL 353.A O no hydrogen 2.696 N/A PHE 226.A N SER 323.A O no hydrogen 2.779 N/A VAL 227.A N ASP 355.A O no hydrogen 2.746 N/A SER 228.A N GLU 321.A O no hydrogen 3.105 N/A CYS 229.A N PHE 357.A O no hydrogen 2.705 N/A CYS 229.A SG VAL 227.A O no hydrogen 3.592 N/A GLN 230.A N GLY 319.A O no hydrogen 3.044 N/A GLN 230.A NE2 GLU 33.A OE2 no hydrogen 2.961 N/A GLN 230.A NE2 LEU 361.A O no hydrogen 2.901 N/A GLU 231.A N ASN 362.A O no hydrogen 2.875 N/A GLN 232.A N ARG 317.A O no hydrogen 2.719 N/A GLN 232.A NE2 GLN 230.A OE1 no hydrogen 3.308 N/A ARG 233.A N GLU 364.A O no hydrogen 2.708 N/A LEU 234.A N VAL 315.A O no hydrogen 2.809 N/A ILE 235.A N ILE 366.A O no hydrogen 3.007 N/A TYR 236.A N CYS 313.A O no hydrogen 2.898 N/A LEU 237.A N GLN 368.A OE1 no hydrogen 2.921 N/A GLY 242.A N PRO 238.A O no hydrogen 2.871 N/A CYS 244.A SG TYR 236.A O no hydrogen 3.458 N/A LYS 245.A N MET 311.A O no hydrogen 2.735 N/A LYS 245.A NZ GLU 310.A OE2 no hydrogen 3.233 N/A TYR 251.A N THR 247.A OG1 no hydrogen 3.356 N/A TYR 251.A OH GLU 310.A O no hydrogen 2.741 N/A ALA 255.A N SER 252.A OG no hydrogen 3.158 N/A CYS 256.A N SER 252.A O no hydrogen 2.915 N/A CYS 256.A SG TYR 251.A OH no hydrogen 3.713 N/A ARG 257.A N ILE 253.A O no hydrogen 2.860 N/A ILE 258.A N THR 254.A O no hydrogen 2.849 N/A ASP 259.A N ALA 255.A O no hydrogen 3.063 N/A CYS 260.A N CYS 256.A O no hydrogen 2.923 N/A CYS 260.A SG TYR 306.A O no hydrogen 3.676 N/A GLU 261.A N ARG 257.A O no hydrogen 2.685 N/A THR 262.A N ILE 258.A O no hydrogen 2.930 N/A THR 262.A OG1 ILE 258.A O no hydrogen 2.906 N/A ARG 263.A N ASP 259.A O no hydrogen 3.188 N/A ARG 263.A NE ASP 259.A OD2 no hydrogen 2.827 N/A ARG 263.A NH2 ASP 259.A OD2 no hydrogen 2.529 N/A TYR 264.A N CYS 260.A O no hydrogen 2.968 N/A LEU 265.A N GLU 261.A O no hydrogen 2.993 N/A VAL 266.A N THR 262.A O no hydrogen 2.999 N/A GLU 267.A N ARG 263.A O no hydrogen 2.927 N/A ASN 268.A N TYR 264.A O no hydrogen 2.964 N/A CYS 269.A N LEU 265.A O no hydrogen 2.558 N/A ASN 270.A N VAL 266.A O no hydrogen 3.029 N/A CYS 271.A SG CYS 269.A O no hydrogen 3.544 N/A ARG 272.A N PRO 281.A O no hydrogen 3.051 N/A ARG 272.A NE ALA 280.A O no hydrogen 2.607 N/A ARG 272.A NH1 MET 276.A O no hydrogen 2.744 N/A ARG 272.A NH2 ALA 280.A O no hydrogen 3.432 N/A VAL 274.A N TYR 288.A OH no hydrogen 2.861 N/A MET 276.A N MET 273.A O no hydrogen 2.957 N/A CYS 283.A N ARG 272.A O no hydrogen 2.999 N/A THR 284.A N GLN 287.A OE1 no hydrogen 2.617 N/A GLN 287.A N THR 284.A OG1 no hydrogen 3.100 N/A TYR 288.A N THR 284.A O no hydrogen 2.817 N/A LYS 289.A N PRO 285.A O no hydrogen 3.111 N/A GLU 290.A N GLU 286.A O no hydrogen 2.884 N/A CYS 291.A N GLN 287.A O no hydrogen 2.752 N/A CYS 291.A SG ASN 268.A O no hydrogen 3.378 N/A ALA 292.A N GLN 287.A O no hydrogen 2.822 N/A ASP 293.A N TYR 288.A O no hydrogen 2.848 N/A ALA 295.A N CYS 291.A O no hydrogen 2.972 N/A LEU 296.A N ALA 292.A O no hydrogen 2.862 N/A ASP 297.A N ASP 293.A O no hydrogen 2.852 N/A PHE 298.A N PRO 294.A O no hydrogen 2.911 N/A LEU 299.A N ALA 295.A O no hydrogen 3.172 N/A VAL 300.A N LEU 296.A O no hydrogen 3.022 N/A LYS 302.A N PHE 298.A O no hydrogen 2.865 N/A ASP 303.A N PHE 298.A O no hydrogen 2.808 N/A GLU 305.A N ASP 303.A OD1 no hydrogen 2.784 N/A TYR 306.A N ASP 303.A OD1 no hydrogen 2.830 N/A CYS 307.A N ASP 303.A OD2 no hydrogen 2.926 N/A CYS 309.A SG ILE 253.A O no hydrogen 3.833 N/A CYS 313.A N LYS 245.A O no hydrogen 3.255 N/A VAL 315.A N LEU 234.A O no hydrogen 2.944 N/A ARG 317.A N GLN 232.A O no hydrogen 2.834 N/A ARG 317.A NH1 GLN 232.A OE1 no hydrogen 2.845 N/A GLY 319.A N GLN 230.A O no hydrogen 2.925 N/A LYS 320.A NZ TYR 318.A O no hydrogen 3.443 N/A GLU 321.A N SER 228.A O no hydrogen 2.961 N/A SER 323.A N PHE 226.A O no hydrogen 3.066 N/A VAL 325.A N GLN 224.A O no hydrogen 3.009 N/A ILE 327.A N GLY 222.A O no hydrogen 3.016 N/A SER 329.A OG SER 332.A OG no hydrogen 3.045 N/A SER 332.A N SER 329.A O no hydrogen 3.046 N/A SER 332.A OG SER 329.A O no hydrogen 3.342 N/A SER 332.A OG SER 329.A OG no hydrogen 3.045 N/A ALA 333.A N SER 329.A O no hydrogen 3.043 N/A LEU 336.A N SER 332.A O no hydrogen 3.139 N/A ALA 337.A N ALA 333.A O no hydrogen 2.851 N/A LYS 338.A N LYS 334.A O no hydrogen 2.980 N/A LYS 339.A N TYR 335.A O no hydrogen 2.934 N/A TYR 340.A N LEU 336.A O no hydrogen 3.066 N/A LYS 342.A N ALA 337.A O no hydrogen 2.814 N/A TYR 346.A N SER 343.A OG no hydrogen 3.079 N/A TYR 346.A OH ASP 177.A OD1 no hydrogen 2.908 N/A TYR 346.A OH ASP 177.A OD2 no hydrogen 2.862 N/A ILE 347.A N SER 343.A O no hydrogen 3.104 N/A GLY 348.A N GLU 344.A O no hydrogen 3.316 N/A GLU 349.A N GLN 345.A O no hydrogen 3.160 N/A GLU 349.A N TYR 346.A O no hydrogen 2.987 N/A ASN 350.A N ILE 347.A O no hydrogen 3.401 N/A ASN 350.A ND2 TYR 346.A O no hydrogen 2.800 N/A ILE 351.A N ILE 347.A O no hydrogen 2.988 N/A LEU 352.A N LEU 176.A O no hydrogen 2.949 N/A VAL 353.A N PHE 223.A O no hydrogen 3.015 N/A LEU 354.A N ILE 174.A O no hydrogen 2.847 N/A ASP 355.A N THR 225.A O no hydrogen 2.844 N/A ILE 356.A N LEU 172.A O no hydrogen 2.840 N/A PHE 357.A N VAL 227.A O no hydrogen 3.125 N/A GLU 359.A N CYS 229.A O no hydrogen 3.125 N/A ASN 362.A ND2 ALA 36.A O no hydrogen 3.164 N/A TYR 363.A N VAL 34.A O no hydrogen 3.148 N/A GLU 364.A N GLU 231.A O no hydrogen 2.812 N/A THR 365.A N ASP 32.A O no hydrogen 2.855 N/A THR 365.A OG1 ASP 32.A O no hydrogen 3.556 N/A ILE 366.A N ARG 233.A O no hydrogen 2.793 N/A GLU 367.A N LYS 30.A O no hydrogen 3.050 N/A GLN 368.A N ILE 235.A O no hydrogen 2.904 N/A LYS 369.A N VAL 28.A O no hydrogen 2.641 N/A ALA 371.A N PRO 26.A O no hydrogen 3.176 N/A LEU 377.A N GLU 373.A O no hydrogen 3.113 N/A LEU 377.A N VAL 374.A O no hydrogen 2.854 N/A LEU 378.A N VAL 374.A O no hydrogen 3.199 N/A ASP 380.A N LEU 377.A O no hydrogen 3.196 N/A ILE 381.A N LEU 378.A O no hydrogen 2.835 N/A GLY 382.A N LEU 378.A O no hydrogen 2.227 N/A MET 385.A N ILE 381.A O no hydrogen 2.943 N/A GLY 386.A N GLY 382.A O no hydrogen 2.816 N/A LEU 387.A N GLY 383.A O no hydrogen 3.093 N/A PHE 388.A N MET 385.A O no hydrogen 3.177 N/A ILE 389.A N GLY 386.A O no hydrogen 3.186 N/A SER 392.A OG PHE 388.A O no hydrogen 2.105 N/A ILE 393.A N GLY 390.A O no hydrogen 3.265 N/A