Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8shz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 329.A O no hydrogen 2.711 N/A ARG 5.A N ALA 1.A O no hydrogen 3.011 N/A ALA 6.A N SER 2.A O no hydrogen 3.041 N/A VAL 7.A N LYS 3.A O no hydrogen 3.068 N/A LEU 8.A N LEU 4.A O no hydrogen 3.022 N/A GLU 9.A N ARG 5.A O no hydrogen 2.999 N/A LYS 10.A N ALA 6.A O no hydrogen 2.993 N/A LEU 11.A N VAL 7.A O no hydrogen 2.907 N/A LYS 12.A N LEU 8.A O no hydrogen 3.046 N/A LYS 12.A NZ GLU 9.A OE2 no hydrogen 3.041 N/A LEU 13.A N LYS 10.A O no hydrogen 2.842 N/A SER 14.A N LEU 11.A O no hydrogen 2.922 N/A ARG 15.A N LYS 12.A O no hydrogen 2.947 N/A ILE 18.A N SER 14.A O no hydrogen 3.499 N/A SER 19.A N ARG 15.A O no hydrogen 3.462 N/A THR 20.A N ASP 17.A O no hydrogen 3.136 N/A ALA 21.A N ASP 17.A O no hydrogen 2.937 N/A ALA 22.A N ILE 18.A O no hydrogen 2.568 N/A VAL 25.A N ALA 21.A O no hydrogen 3.344 N/A LYS 26.A N ALA 22.A O no hydrogen 3.006 N/A GLY 27.A N GLY 23.A O no hydrogen 3.499 N/A VAL 28.A N MET 24.A O no hydrogen 3.367 N/A VAL 29.A N VAL 25.A O no hydrogen 2.959 N/A ASP 30.A N LYS 26.A O no hydrogen 2.911 N/A LEU 32.A N VAL 28.A O no hydrogen 3.287 N/A LEU 33.A N VAL 29.A O no hydrogen 2.851 N/A LEU 34.A N ASP 30.A O no hydrogen 3.295 N/A ARG 35.A NH1 GLU 115.A OE1 no hydrogen 2.891 N/A LEU 36.A N LEU 32.A O no hydrogen 2.952 N/A LYS 37.A N LEU 33.A O no hydrogen 3.191 N/A CYS 38.A N ARG 35.A O no hydrogen 2.911 N/A CYS 38.A SG LEU 34.A O no hydrogen 4.009 N/A ASP 39.A N ARG 35.A O no hydrogen 3.323 N/A ASP 39.A N LEU 36.A O no hydrogen 2.730 N/A ALA 41.A N ASP 39.A OD1 no hydrogen 2.828 N/A GLY 46.A N LYS 65.A O no hydrogen 3.175 N/A LEU 48.A N MET 63.A O no hydrogen 3.164 N/A LYS 55.A NZ GLU 59.A OE1 no hydrogen 3.466 N/A ILE 56.A N GLU 232.A OE1 no hydrogen 2.930 N/A ILE 56.A N GLU 232.A OE2 no hydrogen 3.300 N/A PHE 60.A N SER 139.A O no hydrogen 3.187 N/A ASP 61.A N GLU 52.A O no hydrogen 2.723 N/A VAL 62.A N ASP 141.A O no hydrogen 2.798 N/A PHE 64.A N THR 143.A O no hydrogen 2.543 N/A LYS 65.A N GLY 46.A O no hydrogen 2.915 N/A VAL 68.A N GLU 147.A O no hydrogen 3.248 N/A LEU 73.A N GLN 72.A OE1 no hydrogen 2.769 N/A GLU 74.A N PHE 84.A O no hydrogen 3.215 N/A TYR 76.A N TYR 82.A O no hydrogen 2.894 N/A SER 77.A OG SER 77.A O no hydrogen 2.116 N/A ASN 78.A ND2 ASN 78.A O no hydrogen 2.705 N/A THR 79.A N TYR 76.A O no hydrogen 3.043 N/A THR 79.A OG1 TYR 76.A O no hydrogen 2.803 N/A ARG 80.A N GLU 75.A OE2 no hydrogen 2.854 N/A ARG 80.A NE GLU 301.A OE1 no hydrogen 3.423 N/A ARG 80.A NH1 GLU 75.A OE2 no hydrogen 2.917 N/A ALA 81.A N THR 79.A O no hydrogen 2.630 N/A TYR 83.A N TRP 189.A O no hydrogen 2.785 N/A TYR 83.A OH ARG 80.A O no hydrogen 2.824 N/A TYR 83.A OH SER 155.A OG no hydrogen 2.756 N/A PHE 84.A N GLU 74.A O no hydrogen 2.956 N/A LYS 86.A N GLN 72.A O no hydrogen 2.902 N/A SER 91.A N ASN 88.A O no hydrogen 2.948 N/A SER 91.A OG ASN 88.A O no hydrogen 2.614 N/A PHE 93.A N LEU 90.A O no hydrogen 3.258 N/A GLU 95.A N ILE 98.A O no hydrogen 2.921 N/A LEU 99.A N VAL 85.A O no hydrogen 2.652 N/A SER 100.A N PHE 93.A O no hydrogen 2.983 N/A SER 100.A OG GLU 95.A OE2 no hydrogen 3.055 N/A SER 100.A OG GLU 187.A OE1 no hydrogen 2.409 N/A SER 102.A N GLU 187.A OE1 no hydrogen 3.208 N/A SER 102.A OG SER 100.A OG no hydrogen 3.168 N/A SER 102.A OG GLU 187.A OE1 no hydrogen 2.829 N/A SER 102.A OG GLU 187.A OE2 no hydrogen 2.755 N/A LYS 103.A N SER 100.A OG no hydrogen 2.943 N/A MET 104.A N SER 100.A O no hydrogen 3.081 N/A LEU 105.A N ALA 101.A O no hydrogen 2.614 N/A SER 106.A N SER 102.A O no hydrogen 2.917 N/A SER 106.A OG SER 102.A O no hydrogen 2.483 N/A LYS 107.A N LYS 103.A O no hydrogen 3.199 N/A LYS 107.A NZ GLN 92.A OE1 no hydrogen 2.795 N/A PHE 108.A N MET 104.A O no hydrogen 3.203 N/A ARG 109.A N LEU 105.A O no hydrogen 3.144 N/A LYS 110.A N SER 106.A O no hydrogen 3.413 N/A ILE 111.A N LYS 107.A O no hydrogen 3.161 N/A ILE 112.A N PHE 108.A O no hydrogen 3.184 N/A LYS 113.A N ARG 109.A O no hydrogen 2.729 N/A GLU 114.A N LYS 110.A O no hydrogen 2.905 N/A GLU 115.A N ILE 112.A O no hydrogen 2.664 N/A ILE 116.A N ILE 112.A O no hydrogen 3.005 N/A ASN 117.A ND2 LYS 113.A O no hydrogen 2.672 N/A ASP 118.A N GLU 115.A O no hydrogen 2.841 N/A THR 122.A N ASP 121.A OD1 no hydrogen 2.955 N/A VAL 124.A N THR 122.A O no hydrogen 2.989 N/A ILE 125.A N LEU 133.A O no hydrogen 3.120 N/A LYS 127.A N THR 131.A O no hydrogen 2.942 N/A VAL 130.A N ILE 142.A O no hydrogen 3.110 N/A THR 131.A OG1 ASP 141.A OD1 no hydrogen 2.924 N/A LEU 132.A N VAL 140.A O no hydrogen 2.832 N/A LEU 133.A N ILE 125.A O no hydrogen 2.768 N/A ILE 134.A N ILE 138.A O no hydrogen 2.904 N/A SER 135.A N ASP 123.A O no hydrogen 2.834 N/A SER 139.A N ASN 58.A O no hydrogen 3.007 N/A VAL 140.A N LEU 132.A O no hydrogen 2.792 N/A ASP 141.A N PHE 60.A O no hydrogen 2.632 N/A ILE 142.A N VAL 130.A O no hydrogen 2.830 N/A THR 143.A N VAL 62.A O no hydrogen 2.900 N/A ALA 145.A N PHE 64.A O no hydrogen 2.613 N/A LEU 146.A N LEU 181.A O no hydrogen 2.915 N/A GLU 147.A N LEU 66.A O no hydrogen 2.779 N/A SER 148.A N PHE 179.A O no hydrogen 3.117 N/A SER 150.A N SER 148.A OG no hydrogen 3.304 N/A TRP 152.A NE1 LYS 177.A O no hydrogen 3.039 N/A SER 155.A OG ARG 80.A O no hydrogen 2.712 N/A SER 155.A OG TYR 83.A OH no hydrogen 2.756 N/A THR 156.A N PRO 153.A O no hydrogen 2.947 N/A THR 156.A OG1 PRO 153.A O no hydrogen 2.861 N/A GLN 157.A N ALA 154.A O no hydrogen 3.078 N/A GLY 159.A N THR 156.A O no hydrogen 2.959 N/A LEU 160.A N TYR 297.A O no hydrogen 2.964 N/A ARG 161.A NH2 GLU 158.A OE2 no hydrogen 2.753 N/A GLN 163.A N GLN 163.A OE1 no hydrogen 2.836 N/A TRP 165.A N ILE 162.A O no hydrogen 2.787 N/A TRP 165.A NE1 HIS 204.A O no hydrogen 2.773 N/A LEU 166.A N ILE 162.A O no hydrogen 2.550 N/A SER 167.A N ILE 162.A O no hydrogen 3.239 N/A SER 167.A OG LEU 166.A O no hydrogen 2.383 N/A VAL 170.A N SER 167.A O no hydrogen 3.252 N/A VAL 170.A N SER 167.A OG no hydrogen 3.329 N/A ARG 171.A N SER 167.A O no hydrogen 3.150 N/A ARG 171.A NE GLY 159.A O no hydrogen 3.271 N/A ARG 171.A NE LEU 160.A O no hydrogen 2.642 N/A ARG 171.A NH2 GLN 157.A O no hydrogen 3.019 N/A ARG 171.A NH2 GLY 159.A O no hydrogen 2.595 N/A LYS 172.A N ALA 168.A O no hydrogen 2.812 N/A GLN 173.A N LYS 169.A O no hydrogen 3.063 N/A LEU 174.A N VAL 170.A O no hydrogen 2.792 N/A ARG 175.A N ARG 171.A O no hydrogen 3.123 N/A ARG 175.A N LYS 172.A O no hydrogen 3.189 N/A ARG 175.A NH1 THR 156.A O no hydrogen 3.161 N/A ARG 175.A NH1 THR 156.A OG1 no hydrogen 3.418 N/A LEU 176.A N GLN 173.A O no hydrogen 3.405 N/A LYS 177.A N LEU 174.A O no hydrogen 3.269 N/A PHE 179.A N SER 148.A O no hydrogen 3.105 N/A TYR 180.A N SER 192.A O no hydrogen 3.123 N/A TYR 180.A OH GLU 147.A OE1 no hydrogen 2.610 N/A LEU 181.A N LEU 146.A O no hydrogen 3.037 N/A VAL 182.A N ARG 190.A O no hydrogen 2.799 N/A LYS 184.A N THR 188.A O no hydrogen 3.327 N/A LYS 184.A NZ GLU 186.A O no hydrogen 3.100 N/A LYS 184.A NZ THR 188.A O no hydrogen 3.256 N/A TRP 189.A N TYR 83.A O no hydrogen 2.651 N/A TRP 189.A NE1 LEU 99.A O no hydrogen 3.250 N/A ARG 190.A N VAL 182.A O no hydrogen 2.597 N/A LEU 191.A N ALA 81.A O no hydrogen 3.200 N/A SER 192.A N TYR 180.A O no hydrogen 2.685 N/A HIS 195.A NE2 PRO 178.A O no hydrogen 2.710 N/A GLU 197.A N PHE 193.A O no hydrogen 2.964 N/A LYS 198.A N SER 194.A O no hydrogen 3.078 N/A LYS 198.A NZ THR 50.A O no hydrogen 3.280 N/A GLU 199.A N HIS 195.A O no hydrogen 3.251 N/A ILE 200.A N ILE 196.A O no hydrogen 2.953 N/A LEU 201.A N GLU 197.A O no hydrogen 3.129 N/A ASN 202.A N LYS 198.A O no hydrogen 3.049 N/A ASN 202.A ND2 LYS 198.A O no hydrogen 2.734 N/A ASN 203.A N GLU 199.A O no hydrogen 2.939 N/A HIS 204.A ND1 LEU 201.A O no hydrogen 2.901 N/A LYS 206.A N ASP 266.A OD1 no hydrogen 2.931 N/A LYS 206.A NZ ASN 164.A O no hydrogen 2.827 N/A LYS 206.A NZ TRP 165.A O no hydrogen 2.937 N/A SER 207.A N ASP 266.A OD2 no hydrogen 2.966 N/A SER 207.A OG GLU 216.A OE1 no hydrogen 2.553 N/A THR 209.A N SER 207.A OG no hydrogen 3.122 N/A THR 209.A OG1 SER 207.A OG no hydrogen 3.188 N/A THR 209.A OG1 GLU 216.A OE1 no hydrogen 3.537 N/A THR 209.A OG1 GLU 216.A OE2 no hydrogen 2.594 N/A CYS 210.A N SER 207.A O no hydrogen 3.015 N/A CYS 210.A SG HIS 204.A NE2 no hydrogen 3.684 N/A CYS 211.A N GLU 216.A O no hydrogen 2.633 N/A CYS 211.A SG HIS 204.A NE2 no hydrogen 3.537 N/A CYS 211.A SG GLU 216.A O no hydrogen 3.984 N/A CYS 211.A SG CYS 218.A O no hydrogen 4.010 N/A GLU 212.A N THR 209.A O no hydrogen 2.968 N/A ASN 213.A ND2 GLU 216.A OE2 no hydrogen 2.862 N/A LYS 214.A NZ GLU 215.A OE2 no hydrogen 2.859 N/A GLU 216.A N ASN 213.A O no hydrogen 3.143 N/A LYS 217.A NZ CYS 211.A O no hydrogen 3.339 N/A CYS 218.A SG HIS 204.A NE2 no hydrogen 3.319 N/A CYS 219.A N TRP 269.A O no hydrogen 2.773 N/A CYS 219.A SG TRP 269.A O no hydrogen 3.489 N/A CYS 219.A SG ASP 270.A O no hydrogen 3.866 N/A ARG 220.A NH1 ASP 266.A OD1 no hydrogen 2.943 N/A ARG 220.A NH2 ASP 266.A OD1 no hydrogen 2.726 N/A LYS 221.A NZ ASN 202.A OD1 no hydrogen 3.287 N/A CYS 223.A N CYS 219.A O no hydrogen 2.967 N/A CYS 223.A SG CYS 219.A O no hydrogen 3.379 N/A LEU 224.A N ARG 220.A O no hydrogen 3.325 N/A LYS 225.A N LYS 221.A O no hydrogen 3.030 N/A LEU 226.A N ASP 222.A O no hydrogen 2.978 N/A MET 227.A N CYS 223.A O no hydrogen 2.966 N/A LYS 228.A N LEU 224.A O no hydrogen 2.904 N/A TYR 229.A N LYS 225.A O no hydrogen 2.953 N/A LEU 230.A N LEU 226.A O no hydrogen 2.736 N/A LEU 231.A N MET 227.A O no hydrogen 3.119 N/A GLU 232.A N LYS 228.A O no hydrogen 2.997 N/A GLN 233.A N TYR 229.A O no hydrogen 2.925 N/A LEU 234.A N LEU 230.A O no hydrogen 2.927 N/A LYS 235.A N LEU 231.A O no hydrogen 2.872 N/A LYS 235.A NZ PHE 247.A O no hydrogen 2.456 N/A GLU 236.A N GLU 232.A O no hydrogen 3.022 N/A ARG 237.A N GLN 233.A O no hydrogen 3.081 N/A PHE 238.A N LEU 234.A O no hydrogen 2.877 N/A LYS 242.A N PHE 238.A O no hydrogen 3.025 N/A LYS 246.A NZ ASP 311.A OD1 no hydrogen 3.333 N/A PHE 247.A N LEU 244.A O no hydrogen 3.138 N/A SER 248.A N HIS 251.A ND1 no hydrogen 2.890 N/A TYR 250.A N SER 248.A OG no hydrogen 3.178 N/A TYR 250.A OH GLU 197.A OE2 no hydrogen 2.943 N/A HIS 251.A N SER 248.A O no hydrogen 2.786 N/A LYS 253.A N SER 249.A O no hydrogen 2.800 N/A LYS 253.A NZ GLU 197.A OE1 no hydrogen 3.034 N/A THR 254.A N TYR 250.A O no hydrogen 3.046 N/A THR 254.A OG1 TYR 250.A O no hydrogen 2.801 N/A ALA 255.A N HIS 251.A O no hydrogen 2.953 N/A PHE 256.A N VAL 252.A O no hydrogen 2.795 N/A PHE 257.A N LYS 253.A O no hydrogen 3.017 N/A HIS 258.A N THR 254.A O no hydrogen 3.168 N/A HIS 258.A NE2 GLU 295.A O no hydrogen 2.718 N/A VAL 259.A N ALA 255.A O no hydrogen 3.134 N/A CYS 260.A N PHE 256.A O no hydrogen 2.893 N/A CYS 260.A SG PHE 256.A O no hydrogen 3.719 N/A THR 261.A N PHE 257.A O no hydrogen 3.048 N/A THR 261.A OG1 PHE 257.A O no hydrogen 3.363 N/A GLN 262.A N HIS 258.A O no hydrogen 3.024 N/A ASN 263.A N VAL 259.A O no hydrogen 2.748 N/A ASN 263.A ND2 VAL 259.A O no hydrogen 3.145 N/A GLN 265.A N GLN 268.A OE1 no hydrogen 2.915 N/A GLN 268.A N GLN 265.A O no hydrogen 2.913 N/A TRP 269.A N ASP 266.A O no hydrogen 2.964 N/A TRP 269.A NE1 ASN 263.A O no hydrogen 2.742 N/A ARG 271.A N LYS 217.A O no hydrogen 3.337 N/A LYS 272.A N ASP 270.A OD1 no hydrogen 2.834 N/A ASP 273.A N ASP 270.A O no hydrogen 2.727 N/A LEU 274.A N ARG 271.A O no hydrogen 3.163 N/A CYS 277.A N ASP 273.A O no hydrogen 2.932 N/A CYS 277.A SG GLN 268.A O no hydrogen 3.191 N/A CYS 277.A SG ASP 273.A O no hydrogen 3.420 N/A PHE 278.A N LEU 274.A O no hydrogen 2.931 N/A ASP 279.A N GLY 275.A O no hydrogen 3.104 N/A ASN 280.A N LEU 276.A O no hydrogen 2.916 N/A CYS 281.A N CYS 277.A O no hydrogen 3.022 N/A CYS 281.A SG CYS 277.A O no hydrogen 3.481 N/A VAL 282.A N PHE 278.A O no hydrogen 2.928 N/A THR 283.A N ASP 279.A O no hydrogen 2.893 N/A THR 283.A OG1 ASP 279.A O no hydrogen 3.202 N/A THR 283.A OG1 ASN 280.A O no hydrogen 3.302 N/A TYR 284.A N ASN 280.A O no hydrogen 3.287 N/A PHE 285.A N CYS 281.A O no hydrogen 3.165 N/A LEU 286.A N VAL 282.A O no hydrogen 2.812 N/A GLN 287.A N THR 283.A O no hydrogen 2.852 N/A CYS 288.A N TYR 284.A O no hydrogen 2.923 N/A CYS 288.A SG TYR 284.A O no hydrogen 3.496 N/A CYS 288.A SG LYS 293.A O no hydrogen 3.442 N/A LEU 289.A N PHE 285.A O no hydrogen 2.998 N/A ARG 290.A N LEU 286.A O no hydrogen 2.954 N/A ARG 290.A NE GLU 323.A OE2 no hydrogen 3.280 N/A ARG 290.A NH2 GLU 323.A OE1 no hydrogen 3.143 N/A ARG 290.A NH2 GLU 323.A OE2 no hydrogen 2.550 N/A THR 291.A N GLN 287.A O no hydrogen 2.874 N/A THR 291.A OG1 GLN 287.A O no hydrogen 2.667 N/A THR 291.A OG1 CYS 288.A O no hydrogen 3.212 N/A GLU 292.A N LEU 289.A O no hydrogen 2.993 N/A LYS 293.A N CYS 288.A O no hydrogen 3.018 N/A LEU 294.A N ASN 303.A OD1 no hydrogen 2.778 N/A ASN 296.A N PHE 302.A O no hydrogen 2.920 N/A TYR 297.A OH THR 261.A OG1 no hydrogen 2.543 N/A PHE 298.A N ASN 296.A OD1 no hydrogen 2.718 N/A ILE 299.A N ASN 296.A OD1 no hydrogen 2.796 N/A PHE 302.A N ILE 299.A O no hydrogen 2.958 N/A ASN 303.A ND2 GLU 292.A O no hydrogen 2.954 N/A LEU 304.A N LEU 294.A O no hydrogen 2.929 N/A PHE 305.A N ASN 303.A OD1 no hydrogen 3.045 N/A SER 306.A N ASN 303.A O no hydrogen 3.254 N/A ILE 310.A N SER 306.A O no hydrogen 2.959 N/A SER 314.A OG HIS 243.A O no hydrogen 3.530 N/A SER 314.A OG ASP 311.A OD1 no hydrogen 3.383 N/A SER 314.A OG ASP 311.A OD2 no hydrogen 3.349 N/A LYS 315.A N ASP 311.A O no hydrogen 3.462 N/A LYS 315.A NZ PHE 305.A O no hydrogen 2.909 N/A LYS 315.A NZ ILE 310.A O no hydrogen 2.327 N/A GLU 316.A N LYS 312.A O no hydrogen 2.948 N/A PHE 317.A N ARG 313.A O no hydrogen 2.881 N/A LEU 318.A N SER 314.A O no hydrogen 2.984 N/A THR 319.A N LYS 315.A O no hydrogen 2.986 N/A THR 319.A OG1 LYS 315.A O no hydrogen 3.026 N/A LYS 320.A N GLU 316.A O no hydrogen 3.143 N/A GLN 321.A N PHE 317.A O no hydrogen 3.205 N/A ILE 322.A N LEU 318.A O no hydrogen 2.852 N/A GLU 323.A N THR 319.A O no hydrogen 2.750 N/A TYR 324.A N LYS 320.A O no hydrogen 3.070 N/A GLU 325.A N GLN 321.A O no hydrogen 2.949 N/A ARG 326.A N ILE 322.A O no hydrogen 2.886 N/A ASN 327.A N GLU 323.A O no hydrogen 2.989 N/A ASN 328.A N GLU 325.A O no hydrogen 3.222 N/A ASN 328.A ND2 TYR 324.A O no hydrogen 2.686 N/A PHE 330.A N GLU 325.A O no hydrogen 2.825 N/A VAL 332.A N GLU 325.A OE1 no hydrogen 2.982 N/A PHE 333.A N PHE 330.A O no hydrogen 2.923 N/A ASP 334.A N PRO 331.A O no hydrogen 2.835 N/A