Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4w4y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASN 2.A OD1 no hydrogen 3.446 N/A TYR 5.A N VAL 16.A O no hydrogen 2.909 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.668 N/A SER 6.A OG THR 15.A OG1 no hydrogen 2.784 N/A VAL 7.A N PHE 14.A O no hydrogen 2.843 N/A VAL 9.A N SER 12.A O no hydrogen 2.885 N/A THR 13.A OG1 GLU 8.A OE1 no hydrogen 3.094 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 2.741 N/A PHE 14.A N VAL 7.A O no hydrogen 2.759 N/A THR 15.A N TYR 99.A OH no hydrogen 3.093 N/A THR 15.A OG1 SER 6.A OG no hydrogen 2.784 N/A VAL 16.A N TYR 5.A O no hydrogen 2.913 N/A LYS 18.A N GLN 3.A O no hydrogen 2.964 N/A LYS 18.A NZ ASN 2.A O no hydrogen 2.760 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.983 N/A ARG 19.A NE ASP 39.A OD2 no hydrogen 3.353 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.288 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.855 N/A TYR 20.A N LEU 17.A O no hydrogen 2.965 N/A GLN 21.A N TYR 38.A O no hydrogen 2.797 N/A LYS 24.A N ALA 36.A O no hydrogen 2.898 N/A LYS 24.A NZ ASN 22.A OD1 no hydrogen 3.077 N/A ILE 26.A N VAL 34.A O no hydrogen 3.365 N/A SER 28.A N ILE 26.A O no hydrogen 2.801 N/A CYS 35.A N ILE 48.A O no hydrogen 2.808 N/A CYS 35.A SG LYS 24.A O no hydrogen 3.747 N/A ALA 36.A N LYS 24.A O no hydrogen 2.788 N/A ALA 37.A N VAL 46.A O no hydrogen 2.881 N/A TYR 38.A N GLN 21.A O no hydrogen 2.853 N/A TYR 38.A OH ASP 43.A OD1 no hydrogen 2.900 N/A ASP 39.A N ARG 44.A O no hydrogen 2.812 N/A ALA 40.A N ARG 19.A O no hydrogen 2.946 N/A VAL 41.A N ASP 39.A OD1 no hydrogen 2.988 N/A LEU 42.A N ASP 39.A OD1 no hydrogen 3.313 N/A ARG 44.A N ASP 39.A O no hydrogen 3.231 N/A VAL 46.A N ALA 37.A O no hydrogen 2.867 N/A ALA 47.A N MET 102.A O no hydrogen 2.802 N/A ILE 48.A N CYS 35.A O no hydrogen 2.748 N/A LYS 49.A N LEU 100.A O no hydrogen 2.900 N/A LYS 50.A N ILE 33.A O no hydrogen 2.868 N/A LYS 50.A NZ THR 13.A O no hydrogen 2.793 N/A LEU 51.A N VAL 98.A O no hydrogen 2.769 N/A SER 52.A OG ASP 97.A OD1 no hydrogen 3.449 N/A ARG 53.A N GLN 96.A O no hydrogen 3.055 N/A GLN 56.A N ARG 53.A O no hydrogen 2.885 N/A GLN 56.A NE2 SER 52.A O no hydrogen 3.040 N/A GLN 56.A NE2 ARG 53.A O no hydrogen 3.134 N/A HIS 60.A N ASN 57.A OD1 no hydrogen 3.109 N/A ALA 61.A N ASN 57.A O no hydrogen 2.933 N/A LYS 62.A N GLN 58.A O no hydrogen 2.994 N/A ARG 63.A N THR 59.A O no hydrogen 3.308 N/A ALA 64.A N HIS 60.A O no hydrogen 2.967 N/A TYR 65.A N ALA 61.A O no hydrogen 2.918 N/A ARG 66.A N LYS 62.A O no hydrogen 2.892 N/A ARG 66.A NH1 PHE 164.A O no hydrogen 2.984 N/A ARG 66.A NH2 PHE 164.A O no hydrogen 3.504 N/A GLU 67.A N ARG 63.A O no hydrogen 2.791 N/A LEU 68.A N ALA 64.A O no hydrogen 2.894 N/A VAL 69.A N TYR 65.A O no hydrogen 3.003 N/A LEU 70.A N ARG 66.A O no hydrogen 2.951 N/A MET 71.A N GLU 67.A O no hydrogen 2.982 N/A LYS 72.A NZ GLU 347.A O no hydrogen 2.786 N/A LYS 72.A NZ GLU 347.A OE2 no hydrogen 3.318 N/A CYS 73.A N VAL 69.A O no hydrogen 3.503 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.875 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.890 N/A ASN 78.A ND2 GLN 128.A OE1 no hydrogen 3.179 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 2.786 N/A ILE 79.A N HIS 76.A O no hydrogen 3.018 N/A ILE 80.A N ILE 161.A O no hydrogen 2.839 N/A SER 81.A N GLU 103.A OE2 no hydrogen 3.425 N/A SER 81.A OG GLU 103.A OE1 no hydrogen 3.416 N/A SER 81.A OG GLU 103.A OE2 no hydrogen 3.417 N/A LEU 83.A N VAL 101.A O no hydrogen 2.812 N/A ASN 84.A N VAL 101.A O no hydrogen 3.428 N/A ASN 84.A ND2 TYR 20.A OH no hydrogen 2.920 N/A VAL 85.A N ASN 84.A OD1 no hydrogen 2.959 N/A PHE 86.A N TYR 99.A O no hydrogen 3.085 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.715 N/A THR 91.A OG1 GLU 94.A OE1 no hydrogen 3.345 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.098 N/A PHE 95.A N LEU 92.A O no hydrogen 3.320 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 2.873 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 3.008 N/A VAL 98.A N LEU 51.A O no hydrogen 3.029 N/A TYR 99.A N PHE 86.A O no hydrogen 2.783 N/A LEU 100.A N LYS 49.A O no hydrogen 2.854 N/A VAL 101.A N ASN 84.A O no hydrogen 2.800 N/A MET 102.A N ALA 47.A O no hydrogen 2.964 N/A LEU 104.A N ASN 45.A O no hydrogen 3.467 N/A ASP 106.A N VAL 153.A O no hydrogen 2.846 N/A ALA 107.A N VAL 153.A O no hydrogen 3.137 N/A ASN 108.A N GLN 111.A OE1 no hydrogen 3.072 N/A LEU 109.A N PRO 148.A O no hydrogen 3.320 N/A LEU 109.A N ILE 151.A O no hydrogen 2.798 N/A GLN 111.A N ASN 108.A O no hydrogen 3.289 N/A GLN 111.A N ASN 108.A OD1 no hydrogen 3.354 N/A ILE 113.A N LEU 109.A O no hydrogen 2.851 N/A GLN 114.A N CYS 110.A O no hydrogen 3.345 N/A MET 115.A N VAL 112.A O no hydrogen 3.046 N/A HIS 119.A ND1 TYR 314.A OH no hydrogen 2.872 N/A ARG 121.A N ASP 118.A OD1 no hydrogen 2.810 N/A ARG 121.A NH1 ASP 118.A OD1 no hydrogen 3.469 N/A ARG 121.A NH1 ASP 118.A OD2 no hydrogen 2.844 N/A MET 122.A N ASP 118.A O no hydrogen 3.032 N/A SER 123.A N HIS 119.A O no hydrogen 2.926 N/A SER 123.A OG HIS 119.A O no hydrogen 2.799 N/A SER 123.A OG GLU 120.A O no hydrogen 3.376 N/A TYR 124.A N GLU 120.A O no hydrogen 3.124 N/A LEU 125.A N ARG 121.A O no hydrogen 3.005 N/A LEU 126.A N MET 122.A O no hydrogen 3.070 N/A TYR 127.A N SER 123.A O no hydrogen 2.882 N/A GLN 128.A N TYR 124.A O no hydrogen 3.030 N/A GLN 128.A NE2 TYR 124.A O no hydrogen 3.375 N/A GLN 128.A NE2 CYS 157.A O no hydrogen 2.831 N/A MET 129.A N LEU 125.A O no hydrogen 2.952 N/A LEU 130.A N LEU 126.A O no hydrogen 2.969 N/A CYS 131.A N TYR 127.A O no hydrogen 2.950 N/A CYS 131.A SG TYR 127.A O no hydrogen 3.438 N/A GLY 132.A N GLN 128.A O no hydrogen 2.965 N/A ILE 133.A N MET 129.A O no hydrogen 2.941 N/A LYS 134.A N LEU 130.A O no hydrogen 2.894 N/A HIS 135.A N CYS 131.A O no hydrogen 2.998 N/A LEU 136.A N GLY 132.A O no hydrogen 3.000 N/A HIS 137.A N ILE 133.A O no hydrogen 2.946 N/A HIS 137.A NE2 ASP 201.A OD2 no hydrogen 2.699 N/A SER 138.A N LYS 134.A O no hydrogen 3.040 N/A SER 138.A OG HIS 135.A O no hydrogen 2.792 N/A ALA 139.A N HIS 135.A O no hydrogen 3.294 N/A ALA 139.A N LEU 136.A O no hydrogen 3.121 N/A GLY 140.A N HIS 137.A O no hydrogen 2.975 N/A ILE 141.A N LEU 136.A O no hydrogen 2.831 N/A HIS 143.A N ASP 201.A OD2 no hydrogen 3.309 N/A HIS 143.A NE2 ASP 163.A O no hydrogen 3.110 N/A HIS 143.A NE2 ASP 163.A OD1 no hydrogen 2.903 N/A ARG 144.A N ASP 201.A OD1 no hydrogen 2.783 N/A ARG 144.A NH1 ALA 167.A O no hydrogen 3.471 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.233 N/A LYS 147.A NZ ASP 145.A OD1 no hydrogen 3.411 N/A LYS 147.A NZ ASP 145.A OD2 no hydrogen 2.988 N/A LYS 147.A NZ THR 182.A O no hydrogen 3.087 N/A SER 149.A OG ASN 150.A OD1 no hydrogen 3.547 N/A ASN 150.A N LYS 147.A O no hydrogen 3.270 N/A ILE 151.A N PRO 148.A O no hydrogen 3.184 N/A VAL 152.A N LYS 160.A O no hydrogen 3.025 N/A VAL 153.A N ALA 107.A O no hydrogen 2.793 N/A LYS 154.A N THR 158.A O no hydrogen 2.940 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.817 N/A SER 155.A OG ASP 106.A OD2 no hydrogen 3.112 N/A CYS 157.A N LYS 154.A O no hydrogen 2.992 N/A THR 158.A N ASP 156.A OD1 no hydrogen 3.095 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.725 N/A LEU 159.A N GLN 128.A OE1 no hydrogen 2.995 N/A LYS 160.A N VAL 152.A O no hydrogen 2.941 N/A LYS 160.A NZ LYS 77.A O no hydrogen 2.931 N/A ILE 161.A N ASN 78.A O no hydrogen 2.762 N/A LEU 162.A N ASN 150.A O no hydrogen 2.790 N/A PHE 164.A N GLU 67.A OE2 no hydrogen 3.225 N/A LEU 166.A N HIS 143.A O no hydrogen 3.107 N/A THR 169.A OG1 ARG 168.A O no hydrogen 2.831 N/A TYR 185.A OH GLU 211.A OE1 no hydrogen 2.656 N/A ARG 186.A N ARG 183.A O no hydrogen 3.157 N/A ARG 186.A NE ASP 145.A OD1 no hydrogen 2.870 N/A ARG 186.A NH1 TYR 224.A OH no hydrogen 2.952 N/A ARG 186.A NH2 ASP 145.A OD2 no hydrogen 2.812 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.872 N/A ILE 191.A N ALA 187.A O no hydrogen 2.837 N/A LEU 192.A N PRO 188.A O no hydrogen 2.728 N/A GLY 193.A N VAL 190.A O no hydrogen 3.420 N/A MET 194.A N GLU 189.A O no hydrogen 2.816 N/A GLU 198.A N GLU 198.A OE2 no hydrogen 2.921 N/A ASN 199.A ND2 PRO 300.A O no hydrogen 2.792 N/A ASN 199.A ND2 ARG 303.A O no hydrogen 3.181 N/A VAL 200.A N LYS 197.A O no hydrogen 3.164 N/A ASP 201.A N GLU 198.A O no hydrogen 3.395 N/A ILE 202.A N ASN 199.A O no hydrogen 3.334 N/A SER 204.A OG TYR 185.A O no hydrogen 2.734 N/A VAL 205.A N ASP 201.A O no hydrogen 3.120 N/A GLY 206.A N ILE 202.A O no hydrogen 2.826 N/A CYS 207.A N TRP 203.A O no hydrogen 2.946 N/A CYS 207.A SG TYR 184.A O no hydrogen 3.889 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.347 N/A ILE 208.A N SER 204.A O no hydrogen 3.024 N/A MET 209.A N VAL 205.A O no hydrogen 2.786 N/A GLY 210.A N GLY 206.A O no hydrogen 2.911 N/A GLU 211.A N CYS 207.A O no hydrogen 3.197 N/A MET 212.A N ILE 208.A O no hydrogen 2.865 N/A VAL 213.A N MET 209.A O no hydrogen 3.206 N/A VAL 213.A N GLY 210.A O no hydrogen 3.167 N/A ARG 214.A N GLY 210.A O no hydrogen 2.721 N/A ARG 214.A NH1 GLN 234.A OE1 no hydrogen 2.771 N/A ARG 214.A NH2 GLN 234.A OE1 no hydrogen 3.230 N/A ARG 214.A NH2 LEU 268.A O no hydrogen 2.943 N/A HIS 215.A N GLU 211.A O no hydrogen 2.791 N/A HIS 215.A NE2 MET 115.A O no hydrogen 2.969 N/A ARG 222.A N ASP 226.A OD2 no hydrogen 3.298 N/A ARG 222.A NE ASP 226.A OD2 no hydrogen 2.808 N/A ARG 222.A NH2 ASP 226.A OD1 no hydrogen 3.316 N/A ARG 222.A NH2 ASP 226.A OD2 no hydrogen 3.549 N/A ILE 225.A N ASP 223.A OD1 no hydrogen 3.023 N/A GLN 227.A N ASP 223.A O no hydrogen 3.094 N/A GLN 227.A NE2 ARG 183.A O no hydrogen 2.755 N/A TRP 228.A N TYR 224.A O no hydrogen 3.059 N/A ASN 229.A N ILE 225.A O no hydrogen 3.198 N/A LYS 230.A N ASP 226.A O no hydrogen 3.039 N/A LYS 230.A NZ GLU 233.A OE1 no hydrogen 3.360 N/A VAL 231.A N GLN 227.A O no hydrogen 3.142 N/A ILE 232.A N TRP 228.A O no hydrogen 3.090 N/A GLU 233.A N ASN 229.A O no hydrogen 2.996 N/A GLN 234.A NE2 LEU 218.A O no hydrogen 2.833 N/A GLN 234.A NE2 LYS 230.A O no hydrogen 2.816 N/A LEU 235.A N VAL 231.A O no hydrogen 2.870 N/A GLY 236.A N ILE 232.A O no hydrogen 2.868 N/A THR 237.A N TYR 260.A O no hydrogen 3.078 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.813 N/A PHE 242.A N CYS 239.A O no hydrogen 3.285 N/A MET 243.A N CYS 239.A O no hydrogen 3.519 N/A LYS 244.A N PRO 240.A O no hydrogen 3.050 N/A LYS 245.A N PHE 242.A O no hydrogen 3.008 N/A LYS 245.A NZ ASP 299.A OD1 no hydrogen 3.057 N/A LEU 246.A N MET 243.A O no hydrogen 3.260 N/A ARG 251.A N GLN 247.A O no hydrogen 2.936 N/A ARG 251.A NE LEU 246.A O no hydrogen 3.456 N/A ARG 251.A NH2 LEU 246.A O no hydrogen 3.250 N/A ASN 252.A N PRO 248.A O no hydrogen 3.080 N/A TYR 253.A N THR 249.A O no hydrogen 3.422 N/A VAL 254.A N VAL 250.A O no hydrogen 3.032 N/A GLU 255.A N ARG 251.A O no hydrogen 2.953 N/A ASN 256.A N ASN 252.A O no hydrogen 2.874 N/A ASN 256.A ND2 ASN 252.A O no hydrogen 2.892 N/A ARG 257.A NE ASN 229.A OD1 no hydrogen 2.929 N/A ARG 257.A NH2 ASN 229.A OD1 no hydrogen 2.814 N/A TYR 260.A N THR 237.A OG1 no hydrogen 3.027 N/A LEU 263.A N GLN 234.A O no hydrogen 2.959 N/A LYS 267.A N THR 264.A OG1 no hydrogen 3.349 N/A LEU 268.A N THR 264.A O no hydrogen 2.790 N/A PHE 269.A N PHE 265.A O no hydrogen 2.813 N/A LEU 273.A N PRO 270.A O no hydrogen 2.974 N/A PHE 274.A N ASP 271.A O no hydrogen 3.257 N/A HIS 280.A ND1 ASN 281.A OD1 no hydrogen 3.146 N/A ASN 281.A N SER 278.A OG no hydrogen 3.145 N/A ASN 281.A ND2 ASP 277.A OD1 no hydrogen 2.684 N/A LYS 282.A N SER 278.A O no hydrogen 2.967 N/A LEU 283.A N GLU 279.A O no hydrogen 3.032 N/A LYS 284.A N HIS 280.A O no hydrogen 2.954 N/A LYS 284.A NZ GLN 287.A OE1 no hydrogen 3.158 N/A ALA 285.A N ASN 281.A O no hydrogen 2.932 N/A SER 286.A N LYS 282.A O no hydrogen 3.364 N/A SER 286.A OG LEU 283.A O no hydrogen 2.903 N/A GLN 287.A N LEU 283.A O no hydrogen 3.114 N/A ALA 288.A N LYS 284.A O no hydrogen 2.872 N/A ARG 289.A N ALA 285.A O no hydrogen 2.904 N/A ARG 289.A NE PHE 269.A O no hydrogen 3.153 N/A ARG 289.A NH2 PHE 269.A O no hydrogen 3.449 N/A ARG 289.A NH2 ASP 271.A OD1 no hydrogen 2.807 N/A ASP 290.A N SER 286.A O no hydrogen 2.975 N/A LEU 291.A N GLN 287.A O no hydrogen 3.052 N/A LEU 292.A N ALA 288.A O no hydrogen 3.144 N/A SER 293.A N ARG 289.A O no hydrogen 3.045 N/A SER 293.A OG ASP 290.A O no hydrogen 2.714 N/A LYS 294.A N LEU 291.A O no hydrogen 3.101 N/A LYS 294.A NZ ASP 290.A OD1 no hydrogen 2.887 N/A LYS 294.A NZ ASP 290.A OD2 no hydrogen 2.963 N/A MET 295.A N LEU 291.A O no hydrogen 3.016 N/A MET 295.A N LEU 292.A O no hydrogen 3.301 N/A LEU 296.A N LEU 292.A O no hydrogen 2.852 N/A ALA 301.A N ASP 299.A OD1 no hydrogen 3.184 N/A LYS 302.A N ASP 299.A O no hydrogen 3.012 N/A LYS 302.A NZ GLU 241.A OE2 no hydrogen 2.811 N/A ARG 303.A NE VAL 297.A O no hydrogen 2.803 N/A ARG 303.A NH1 GLU 189.A OE1 no hydrogen 3.338 N/A ARG 303.A NH1 GLU 189.A OE2 no hydrogen 2.782 N/A ARG 303.A NH1 ASN 199.A O no hydrogen 3.088 N/A ARG 303.A NH2 GLU 189.A OE1 no hydrogen 2.815 N/A ARG 303.A NH2 VAL 297.A O no hydrogen 3.110 N/A ILE 304.A N LYS 294.A O no hydrogen 3.103 N/A ASP 308.A N SER 305.A OG no hydrogen 3.305 N/A ALA 309.A N SER 305.A O no hydrogen 2.974 N/A LEU 310.A N VAL 306.A O no hydrogen 2.951 N/A GLN 311.A N ASP 307.A O no hydrogen 3.296 N/A GLN 311.A N ASP 308.A O no hydrogen 3.020 N/A HIS 312.A NE2 ASP 290.A OD2 no hydrogen 2.905 N/A TYR 314.A N HIS 312.A ND1 no hydrogen 2.955 N/A TYR 314.A OH HIS 119.A ND1 no hydrogen 2.872 N/A ILE 315.A N HIS 312.A O no hydrogen 2.865 N/A ASN 316.A N HIS 312.A O no hydrogen 2.787 N/A TRP 318.A N ILE 315.A O no hydrogen 3.224 N/A TRP 318.A NE1 SER 123.A OG no hydrogen 2.776 N/A TYR 319.A N ASN 316.A O no hydrogen 3.384 N/A HIS 335.A NE2 ASP 331.A OD2 no hydrogen 3.019 N/A THR 336.A N GLU 339.A OE1 no hydrogen 3.166 N/A TRP 340.A N THR 336.A O no hydrogen 2.947 N/A LYS 341.A N ILE 337.A O no hydrogen 2.911 N/A LYS 341.A NZ GLU 93.A O no hydrogen 3.186 N/A GLU 342.A N GLU 338.A O no hydrogen 3.234 N/A LEU 343.A N GLU 339.A O no hydrogen 3.032 N/A ILE 344.A N TRP 340.A O no hydrogen 2.935 N/A TYR 345.A N LYS 341.A O no hydrogen 3.009 N/A LYS 346.A N GLU 342.A O no hydrogen 3.044 N/A GLU 347.A N LEU 343.A O no hydrogen 3.207 N/A VAL 348.A N ILE 344.A O no hydrogen 2.878 N/A MET 349.A N TYR 345.A O no hydrogen 2.933 N/A ASN 350.A N LYS 346.A O no hydrogen 2.808 N/A