Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASN 1.A OD1 no hydrogen 3.076 N/A TYR 4.A N VAL 15.A O no hydrogen 3.048 N/A TYR 4.A OH TYR 19.A O no hydrogen 2.659 N/A SER 5.A OG THR 14.A OG1 no hydrogen 2.616 N/A VAL 6.A N PHE 13.A O no hydrogen 2.929 N/A VAL 8.A N SER 11.A O no hydrogen 2.823 N/A SER 11.A N VAL 8.A O no hydrogen 3.161 N/A PHE 13.A N VAL 6.A O no hydrogen 2.845 N/A THR 14.A N TYR 98.A OH no hydrogen 2.888 N/A THR 14.A OG1 SER 5.A OG no hydrogen 2.616 N/A VAL 15.A N TYR 4.A O no hydrogen 3.125 N/A LYS 17.A N GLN 2.A O no hydrogen 3.154 N/A LYS 17.A NZ ASN 1.A O no hydrogen 2.236 N/A ARG 18.A NE ASP 38.A OD1 no hydrogen 3.099 N/A ARG 18.A NH2 ASP 38.A OD1 no hydrogen 3.479 N/A ARG 18.A NH2 ASP 38.A OD2 no hydrogen 3.072 N/A TYR 19.A N LEU 16.A O no hydrogen 2.875 N/A GLN 20.A N TYR 37.A O no hydrogen 2.798 N/A LYS 23.A N ALA 35.A O no hydrogen 2.863 N/A ILE 25.A N VAL 33.A O no hydrogen 3.038 N/A GLY 28.A N GLY 31.A O no hydrogen 2.851 N/A VAL 33.A N GLY 26.A O no hydrogen 3.032 N/A CYS 34.A N ILE 47.A O no hydrogen 2.809 N/A ALA 35.A N LYS 23.A O no hydrogen 2.617 N/A ALA 36.A N VAL 45.A O no hydrogen 2.867 N/A TYR 37.A N GLN 20.A O no hydrogen 2.920 N/A TYR 37.A OH ASP 42.A OD1 no hydrogen 2.954 N/A ASP 38.A N ARG 43.A O no hydrogen 2.955 N/A ALA 39.A N ARG 18.A O no hydrogen 2.930 N/A VAL 40.A N ASP 38.A OD1 no hydrogen 3.057 N/A LEU 41.A N ASP 38.A OD1 no hydrogen 3.342 N/A ARG 43.A N ASP 38.A O no hydrogen 3.376 N/A VAL 45.A N ALA 36.A O no hydrogen 2.728 N/A ALA 46.A N MET 101.A O no hydrogen 2.813 N/A ILE 47.A N CYS 34.A O no hydrogen 2.738 N/A LYS 48.A N LEU 99.A O no hydrogen 2.738 N/A LYS 48.A NZ GLU 66.A OE2 no hydrogen 2.891 N/A LYS 49.A N ILE 32.A O no hydrogen 3.219 N/A LYS 49.A NZ THR 12.A O no hydrogen 2.764 N/A LEU 50.A N VAL 97.A O no hydrogen 3.032 N/A SER 51.A N GLN 30.A O no hydrogen 3.214 N/A SER 51.A OG ALA 29.A O no hydrogen 2.716 N/A GLN 55.A N ARG 52.A O no hydrogen 3.296 N/A HIS 59.A N ASN 56.A OD1 no hydrogen 2.857 N/A HIS 59.A ND1 ARG 52.A O no hydrogen 2.725 N/A ALA 60.A N ASN 56.A O no hydrogen 3.039 N/A LYS 61.A N GLN 57.A O no hydrogen 2.973 N/A ARG 62.A N THR 58.A O no hydrogen 3.067 N/A ALA 63.A N HIS 59.A O no hydrogen 2.986 N/A TYR 64.A N ALA 60.A O no hydrogen 2.877 N/A ARG 65.A N LYS 61.A O no hydrogen 2.908 N/A GLU 66.A N ARG 62.A O no hydrogen 2.815 N/A LEU 67.A N ALA 63.A O no hydrogen 3.015 N/A VAL 68.A N TYR 64.A O no hydrogen 2.974 N/A LEU 69.A N ARG 65.A O no hydrogen 2.965 N/A MET 70.A N GLU 66.A O no hydrogen 2.976 N/A LYS 71.A N LEU 67.A O no hydrogen 3.163 N/A LYS 71.A NZ GLU 333.A O no hydrogen 2.928 N/A LYS 71.A NZ GLU 333.A OE2 no hydrogen 2.633 N/A CYS 72.A N VAL 68.A O no hydrogen 2.910 N/A CYS 72.A SG VAL 68.A O no hydrogen 3.181 N/A VAL 73.A N LEU 69.A O no hydrogen 2.797 N/A HIS 75.A NE2 GLU 308.A O no hydrogen 3.226 N/A LYS 76.A NZ GLU 308.A OE2 no hydrogen 2.726 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 2.958 N/A ASN 77.A ND2 GLN 127.A OE1 no hydrogen 3.570 N/A ASN 77.A ND2 LEU 158.A O no hydrogen 3.048 N/A ILE 78.A N HIS 75.A O no hydrogen 3.148 N/A ILE 79.A N ILE 160.A O no hydrogen 2.883 N/A SER 80.A OG GLU 102.A OE2 no hydrogen 3.161 N/A LEU 82.A N VAL 100.A O no hydrogen 2.686 N/A ASN 83.A N VAL 100.A O no hydrogen 3.292 N/A ASN 83.A ND2 TYR 19.A OH no hydrogen 3.199 N/A VAL 84.A N ASN 83.A OD1 no hydrogen 2.910 N/A PHE 85.A N TYR 98.A O no hydrogen 3.089 N/A THR 86.A OG1 ASP 96.A O no hydrogen 2.960 N/A GLN 88.A N THR 86.A OG1 no hydrogen 3.236 N/A GLN 88.A NE2 ASP 96.A OD2 no hydrogen 3.248 N/A LYS 89.A NZ PRO 87.A O no hydrogen 3.276 N/A GLU 93.A N THR 90.A OG1 no hydrogen 3.009 N/A PHE 94.A N LEU 91.A O no hydrogen 3.297 N/A GLN 95.A N GLN 88.A OE1 no hydrogen 2.610 N/A ASP 96.A N GLN 88.A OE1 no hydrogen 2.854 N/A TYR 98.A N PHE 85.A O no hydrogen 2.880 N/A LEU 99.A N LYS 48.A O no hydrogen 2.758 N/A VAL 100.A N ASN 83.A O no hydrogen 2.911 N/A MET 101.A N ALA 46.A O no hydrogen 2.791 N/A ASP 105.A N VAL 152.A O no hydrogen 2.901 N/A ALA 106.A N VAL 152.A O no hydrogen 3.131 N/A LEU 108.A N PRO 147.A O no hydrogen 3.274 N/A LEU 108.A N ILE 150.A O no hydrogen 2.833 N/A CYS 109.A N ASN 107.A OD1 no hydrogen 2.907 N/A GLN 110.A N ASN 107.A O no hydrogen 3.190 N/A ILE 112.A N LEU 108.A O no hydrogen 2.749 N/A GLN 113.A N GLN 110.A O no hydrogen 3.086 N/A GLN 113.A NE2 CYS 109.A O no hydrogen 3.133 N/A MET 114.A N VAL 111.A O no hydrogen 2.917 N/A HIS 118.A ND1 TYR 299.A OH no hydrogen 2.989 N/A ARG 120.A N ASP 117.A OD1 no hydrogen 2.737 N/A MET 121.A N ASP 117.A O no hydrogen 2.752 N/A SER 122.A N HIS 118.A O no hydrogen 2.892 N/A SER 122.A OG HIS 118.A O no hydrogen 2.878 N/A SER 122.A OG GLU 119.A O no hydrogen 3.251 N/A TYR 123.A N GLU 119.A O no hydrogen 3.060 N/A LEU 124.A N ARG 120.A O no hydrogen 2.890 N/A LEU 125.A N MET 121.A O no hydrogen 2.934 N/A TYR 126.A N SER 122.A O no hydrogen 2.830 N/A TYR 126.A OH GLU 308.A OE1 no hydrogen 2.663 N/A GLN 127.A N TYR 123.A O no hydrogen 3.074 N/A GLN 127.A NE2 TYR 123.A O no hydrogen 3.115 N/A GLN 127.A NE2 CYS 156.A O no hydrogen 2.807 N/A MET 128.A N LEU 124.A O no hydrogen 3.012 N/A LEU 129.A N LEU 125.A O no hydrogen 2.923 N/A CYS 130.A N TYR 126.A O no hydrogen 2.938 N/A CYS 130.A SG TYR 126.A O no hydrogen 3.448 N/A GLY 131.A N GLN 127.A O no hydrogen 3.010 N/A ILE 132.A N MET 128.A O no hydrogen 2.907 N/A LYS 133.A N LEU 129.A O no hydrogen 2.873 N/A LYS 133.A NZ VAL 309.A O no hydrogen 3.266 N/A HIS 134.A N CYS 130.A O no hydrogen 3.125 N/A LEU 135.A N GLY 131.A O no hydrogen 2.966 N/A HIS 136.A N ILE 132.A O no hydrogen 2.860 N/A HIS 136.A NE2 ASP 186.A OD2 no hydrogen 2.583 N/A SER 137.A N LYS 133.A O no hydrogen 3.006 N/A SER 137.A OG HIS 134.A O no hydrogen 2.822 N/A ALA 138.A N HIS 134.A O no hydrogen 3.369 N/A ALA 138.A N LEU 135.A O no hydrogen 2.881 N/A GLY 139.A N HIS 136.A O no hydrogen 2.787 N/A ILE 140.A N LEU 135.A O no hydrogen 2.953 N/A HIS 142.A N ASP 186.A OD2 no hydrogen 3.041 N/A HIS 142.A NE2 ASP 162.A O no hydrogen 3.000 N/A HIS 142.A NE2 ASP 162.A OD1 no hydrogen 3.130 N/A ARG 143.A N ASP 186.A OD1 no hydrogen 2.838 N/A ARG 143.A NE ILE 141.A O no hydrogen 3.054 N/A ARG 143.A NH2 ILE 141.A O no hydrogen 3.166 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.189 N/A LYS 146.A N ASN 149.A OD1 no hydrogen 3.215 N/A LYS 146.A NZ THR 167.A O no hydrogen 2.700 N/A LYS 146.A NZ THR 167.A OG1 no hydrogen 3.138 N/A ASN 149.A N LYS 146.A O no hydrogen 3.078 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 2.968 N/A ILE 150.A N PRO 147.A O no hydrogen 3.263 N/A VAL 151.A N LYS 159.A O no hydrogen 2.925 N/A VAL 152.A N ALA 106.A O no hydrogen 2.729 N/A LYS 153.A N THR 157.A O no hydrogen 2.938 N/A SER 154.A N ASP 105.A OD2 no hydrogen 2.428 N/A SER 154.A OG ASP 105.A OD2 no hydrogen 2.572 N/A CYS 156.A N LYS 153.A O no hydrogen 2.780 N/A THR 157.A N ASP 155.A OD1 no hydrogen 3.093 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.495 N/A LEU 158.A N GLN 127.A OE1 no hydrogen 2.944 N/A LYS 159.A N VAL 151.A O no hydrogen 2.869 N/A LYS 159.A NZ LYS 76.A O no hydrogen 2.700 N/A ILE 160.A N ASN 77.A O no hydrogen 2.774 N/A LEU 161.A N ASN 149.A O no hydrogen 2.950 N/A GLY 164.A N ASP 162.A OD2 no hydrogen 3.383 N/A LEU 165.A N HIS 142.A O no hydrogen 3.142 N/A TYR 170.A OH GLU 196.A OE1 no hydrogen 2.599 N/A ARG 171.A N ARG 168.A O no hydrogen 3.276 N/A ARG 171.A NE ASP 144.A OD1 no hydrogen 3.067 N/A ARG 171.A NH1 TYR 209.A OH no hydrogen 2.810 N/A ARG 171.A NH2 ASP 144.A OD1 no hydrogen 3.325 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.772 N/A VAL 175.A N ALA 172.A O no hydrogen 2.907 N/A ILE 176.A N ALA 172.A O no hydrogen 2.994 N/A LEU 177.A N PRO 173.A O no hydrogen 2.785 N/A GLY 178.A N VAL 175.A O no hydrogen 3.291 N/A MET 179.A N GLU 174.A O no hydrogen 2.772 N/A ASN 184.A ND2 PRO 285.A O no hydrogen 2.795 N/A ASN 184.A ND2 ARG 288.A O no hydrogen 3.221 N/A VAL 185.A N LYS 182.A O no hydrogen 2.945 N/A ASP 186.A N GLU 183.A O no hydrogen 3.243 N/A ILE 187.A N ASN 184.A O no hydrogen 3.071 N/A SER 189.A OG TYR 170.A O no hydrogen 2.705 N/A VAL 190.A N ASP 186.A O no hydrogen 3.171 N/A GLY 191.A N ILE 187.A O no hydrogen 2.913 N/A CYS 192.A N TRP 188.A O no hydrogen 2.909 N/A CYS 192.A SG TYR 169.A O no hydrogen 3.939 N/A CYS 192.A SG TRP 188.A O no hydrogen 3.535 N/A ILE 193.A N SER 189.A O no hydrogen 3.068 N/A MET 194.A N VAL 190.A O no hydrogen 2.845 N/A GLY 195.A N GLY 191.A O no hydrogen 2.868 N/A GLU 196.A N CYS 192.A O no hydrogen 3.076 N/A MET 197.A N ILE 193.A O no hydrogen 2.935 N/A VAL 198.A N MET 194.A O no hydrogen 3.166 N/A ARG 199.A N GLY 195.A O no hydrogen 3.001 N/A HIS 200.A N GLU 196.A O no hydrogen 2.777 N/A HIS 200.A ND1 ILE 112.A O no hydrogen 2.851 N/A ASP 211.A N ASP 208.A OD1 no hydrogen 2.864 N/A GLN 212.A N ASP 208.A O no hydrogen 2.886 N/A GLN 212.A NE2 ARG 168.A O no hydrogen 2.940 N/A TRP 213.A N TYR 209.A O no hydrogen 2.742 N/A ASN 214.A N ILE 210.A O no hydrogen 3.118 N/A LYS 215.A N ASP 211.A O no hydrogen 3.145 N/A VAL 216.A N GLN 212.A O no hydrogen 3.021 N/A ILE 217.A N TRP 213.A O no hydrogen 3.011 N/A GLU 218.A N ASN 214.A O no hydrogen 2.883 N/A GLN 219.A N LYS 215.A O no hydrogen 3.235 N/A GLN 219.A NE2 LEU 203.A O no hydrogen 2.910 N/A GLN 219.A NE2 LYS 215.A O no hydrogen 2.948 N/A LEU 220.A N VAL 216.A O no hydrogen 2.795 N/A GLY 221.A N ILE 217.A O no hydrogen 2.745 N/A THR 222.A N TYR 245.A O no hydrogen 2.939 N/A THR 222.A OG1 TYR 245.A O no hydrogen 3.482 N/A MET 228.A N CYS 224.A O no hydrogen 2.991 N/A LYS 229.A N PRO 225.A O no hydrogen 2.876 N/A LYS 230.A N PHE 227.A O no hydrogen 2.988 N/A LYS 230.A NZ ASP 284.A OD1 no hydrogen 2.742 N/A LEU 231.A N MET 228.A O no hydrogen 2.881 N/A ARG 236.A N GLN 232.A O no hydrogen 2.694 N/A ARG 236.A NE MET 228.A O no hydrogen 3.116 N/A ARG 236.A NH2 LYS 229.A O no hydrogen 3.492 N/A ASN 237.A N PRO 233.A O no hydrogen 2.996 N/A VAL 239.A N VAL 235.A O no hydrogen 3.184 N/A GLU 240.A N ARG 236.A O no hydrogen 2.943 N/A ASN 241.A N ASN 237.A O no hydrogen 3.122 N/A ASN 241.A N TYR 238.A O no hydrogen 3.224 N/A ARG 242.A N VAL 239.A O no hydrogen 3.396 N/A ARG 242.A NH1 ASN 214.A OD1 no hydrogen 3.211 N/A TYR 245.A N THR 222.A OG1 no hydrogen 2.716 N/A LEU 248.A N GLN 219.A O no hydrogen 2.801 N/A LYS 252.A N THR 249.A O no hydrogen 3.051 N/A LYS 252.A N THR 249.A OG1 no hydrogen 3.417 N/A LEU 253.A N THR 249.A O no hydrogen 2.903 N/A PHE 254.A N PHE 250.A O no hydrogen 2.750 N/A LEU 258.A N PRO 255.A O no hydrogen 3.061 N/A PHE 259.A N ASP 256.A O no hydrogen 2.991 N/A ASN 266.A N SER 263.A OG no hydrogen 2.953 N/A ASN 266.A ND2 ALA 261.A O no hydrogen 3.112 N/A LYS 267.A N SER 263.A O no hydrogen 3.017 N/A LEU 268.A N GLU 264.A O no hydrogen 2.863 N/A LYS 269.A N HIS 265.A O no hydrogen 2.918 N/A ALA 270.A N ASN 266.A O no hydrogen 3.005 N/A SER 271.A N LYS 267.A O no hydrogen 3.335 N/A GLN 272.A N LEU 268.A O no hydrogen 3.138 N/A ALA 273.A N LYS 269.A O no hydrogen 2.860 N/A ARG 274.A N ALA 270.A O no hydrogen 2.955 N/A ARG 274.A NE PHE 254.A O no hydrogen 2.936 N/A ARG 274.A NH2 PHE 254.A O no hydrogen 2.969 N/A ARG 274.A NH2 ASP 256.A OD1 no hydrogen 2.843 N/A ASP 275.A N SER 271.A O no hydrogen 2.892 N/A LEU 276.A N GLN 272.A O no hydrogen 3.110 N/A LEU 277.A N ALA 273.A O no hydrogen 3.001 N/A SER 278.A N ARG 274.A O no hydrogen 2.918 N/A SER 278.A OG ASP 275.A O no hydrogen 2.583 N/A LYS 279.A N LEU 276.A O no hydrogen 2.902 N/A LYS 279.A NZ ASP 275.A OD2 no hydrogen 2.997 N/A MET 280.A N LEU 276.A O no hydrogen 3.060 N/A MET 280.A N LEU 277.A O no hydrogen 3.176 N/A LEU 281.A N LEU 277.A O no hydrogen 2.923 N/A VAL 282.A N MET 280.A O no hydrogen 2.974 N/A ALA 286.A N ASP 284.A OD1 no hydrogen 2.935 N/A LYS 287.A N ASP 284.A O no hydrogen 2.905 N/A ARG 288.A N PRO 285.A O no hydrogen 3.360 N/A ARG 288.A NE VAL 282.A O no hydrogen 2.930 N/A ARG 288.A NH1 GLU 174.A OE1 no hydrogen 3.540 N/A ARG 288.A NH1 GLU 174.A OE2 no hydrogen 2.754 N/A ARG 288.A NH1 ASN 184.A O no hydrogen 2.918 N/A ARG 288.A NH2 GLU 174.A OE1 no hydrogen 2.796 N/A ARG 288.A NH2 GLU 174.A OE2 no hydrogen 3.490 N/A ARG 288.A NH2 VAL 282.A O no hydrogen 3.133 N/A ARG 288.A NH2 ILE 283.A O no hydrogen 3.100 N/A ILE 289.A N LYS 279.A O no hydrogen 3.083 N/A ASP 293.A N SER 290.A OG no hydrogen 3.014 N/A ALA 294.A N SER 290.A O no hydrogen 2.938 N/A LEU 295.A N VAL 291.A O no hydrogen 3.037 N/A GLN 296.A N ASP 293.A O no hydrogen 2.997 N/A HIS 297.A N ALA 294.A O no hydrogen 3.069 N/A HIS 297.A NE2 ASP 275.A OD2 no hydrogen 2.703 N/A TYR 299.A N HIS 297.A ND1 no hydrogen 3.007 N/A TYR 299.A OH HIS 118.A ND1 no hydrogen 2.989 N/A ILE 300.A N HIS 297.A O no hydrogen 2.898 N/A ASN 301.A N HIS 297.A O no hydrogen 2.704 N/A ASN 301.A ND2 LEU 295.A O no hydrogen 2.903 N/A TRP 303.A N ILE 300.A O no hydrogen 3.112 N/A TRP 303.A NE1 SER 122.A OG no hydrogen 2.864 N/A TYR 304.A N ASN 301.A O no hydrogen 3.112 N/A TYR 304.A OH GLU 310.A OE2 no hydrogen 2.743 N/A ASP 305.A N TYR 126.A OH no hydrogen 3.212 N/A ALA 307.A N ASP 305.A OD1 no hydrogen 2.978 N/A GLU 308.A N ASP 305.A O no hydrogen 2.809 N/A VAL 309.A N ASP 305.A O no hydrogen 3.148 N/A GLU 310.A N PRO 306.A O no hydrogen 2.823 N/A THR 322.A N GLU 325.A OE2 no hydrogen 3.033 N/A GLU 325.A N THR 322.A OG1 no hydrogen 3.022 N/A TRP 326.A N THR 322.A O no hydrogen 2.993 N/A LYS 327.A N ILE 323.A O no hydrogen 3.032 N/A GLU 328.A N GLU 324.A O no hydrogen 3.272 N/A LEU 329.A N GLU 325.A O no hydrogen 2.994 N/A ILE 330.A N TRP 326.A O no hydrogen 2.703 N/A TYR 331.A N LYS 327.A O no hydrogen 2.831 N/A LYS 332.A N GLU 328.A O no hydrogen 3.036 N/A GLU 333.A N LEU 329.A O no hydrogen 3.187 N/A VAL 334.A N ILE 330.A O no hydrogen 2.845 N/A MET 335.A N TYR 331.A O no hydrogen 2.914 N/A ASN 336.A N GLU 333.A O no hydrogen 3.282 N/A