Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6iin_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG GLY 6.A O no hydrogen 3.182 N/A CYS 5.A SG SER 68.A O no hydrogen 4.008 N/A GLY 6.A N SER 68.A O no hydrogen 3.200 N/A LEU 7.A N ASP 303.A O no hydrogen 3.074 N/A THR 8.A N ILE 70.A O no hydrogen 2.989 N/A ASN 9.A ND2 ASP 303.A OD2 no hydrogen 2.950 N/A LEU 10.A N THR 13.A OG1 no hydrogen 2.951 N/A GLY 11.A N ASN 9.A OD1 no hydrogen 2.965 N/A ASN 12.A ND2 TYR 95.A O no hydrogen 3.174 N/A THR 13.A N ASN 9.A OD1 no hydrogen 3.346 N/A CYS 14.A SG HIS 286.A ND1 no hydrogen 3.253 N/A ASN 17.A N THR 13.A O no hydrogen 3.243 N/A ASN 17.A ND2 THR 8.A O no hydrogen 3.420 N/A ASN 17.A ND2 ASP 303.A OD1 no hydrogen 2.878 N/A ALA 18.A N CYS 14.A O no hydrogen 2.890 N/A THR 19.A N TYR 15.A O no hydrogen 2.969 N/A THR 19.A OG1 TYR 15.A O no hydrogen 2.846 N/A THR 19.A OG1 ALA 100.A O no hydrogen 3.271 N/A VAL 20.A N MET 16.A O no hydrogen 2.878 N/A GLN 21.A N ASN 17.A O no hydrogen 2.936 N/A GLN 21.A NE2 CYS 5.A O no hydrogen 3.395 N/A CYS 22.A N ALA 18.A O no hydrogen 2.956 N/A CYS 22.A SG ALA 18.A O no hydrogen 3.231 N/A CYS 22.A SG SER 289.A OG no hydrogen 3.286 N/A ILE 23.A N THR 19.A O no hydrogen 2.914 N/A ARG 24.A N VAL 20.A O no hydrogen 2.871 N/A ARG 24.A NH1 PHE 60.A O no hydrogen 3.297 N/A ARG 24.A NH1 ASP 64.A OD1 no hydrogen 3.114 N/A ARG 24.A NH2 ASP 64.A OD1 no hydrogen 2.886 N/A SER 25.A N GLN 21.A O no hydrogen 2.990 N/A SER 25.A N CYS 22.A O no hydrogen 3.166 N/A SER 25.A OG CYS 22.A O no hydrogen 2.221 N/A VAL 26.A N ILE 23.A O no hydrogen 2.967 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.795 N/A LYS 30.A N VAL 26.A O no hydrogen 3.142 N/A ASP 31.A N PRO 27.A O no hydrogen 2.934 N/A ALA 32.A N GLU 28.A O no hydrogen 2.920 N/A LEU 33.A N LEU 29.A O no hydrogen 2.913 N/A LYS 34.A N LYS 30.A O no hydrogen 2.939 N/A TYR 36.A N LEU 33.A O no hydrogen 3.097 N/A GLN 50.A N MET 46.A O no hydrogen 3.294 N/A GLN 50.A NE2 ALA 39.A O no hydrogen 3.382 N/A TYR 51.A N ALA 47.A O no hydrogen 2.876 N/A ILE 52.A N SER 48.A O no hydrogen 2.934 N/A THR 53.A N ALA 49.A O no hydrogen 2.926 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.872 N/A ALA 54.A N GLN 50.A O no hydrogen 2.912 N/A ALA 55.A N TYR 51.A O no hydrogen 2.910 N/A LEU 56.A N ILE 52.A O no hydrogen 2.920 N/A ARG 57.A N THR 53.A O no hydrogen 2.934 N/A ARG 57.A NE ASP 58.A OD1 no hydrogen 3.414 N/A ARG 57.A NH1 TYR 36.A O no hydrogen 3.125 N/A ARG 57.A NH1 GLY 38.A O no hydrogen 2.726 N/A ARG 57.A NH2 GLY 38.A O no hydrogen 3.370 N/A ARG 57.A NH2 ASP 58.A OD1 no hydrogen 3.500 N/A ASP 58.A N ALA 54.A O no hydrogen 2.925 N/A LEU 59.A N ALA 55.A O no hydrogen 2.908 N/A PHE 60.A N LEU 56.A O no hydrogen 2.927 N/A ASP 61.A N ARG 57.A O no hydrogen 2.965 N/A SER 62.A N ASP 58.A O no hydrogen 2.944 N/A SER 62.A OG ASP 58.A O no hydrogen 2.948 N/A MET 63.A N LEU 59.A O no hydrogen 2.901 N/A ASP 64.A N PHE 60.A O no hydrogen 2.908 N/A LYS 65.A N ASP 61.A O no hydrogen 2.981 N/A THR 66.A N SER 62.A O no hydrogen 2.953 N/A THR 66.A OG1 SER 62.A O no hydrogen 2.713 N/A SER 67.A OG GLU 2.A OE1 no hydrogen 3.569 N/A ILE 70.A N GLY 6.A O no hydrogen 3.216 N/A LEU 76.A N PRO 72.A O no hydrogen 2.963 N/A GLN 77.A N ILE 73.A O no hydrogen 2.886 N/A PHE 78.A N ILE 74.A O no hydrogen 2.927 N/A LEU 79.A N LEU 75.A O no hydrogen 2.896 N/A HIS 80.A N LEU 76.A O no hydrogen 2.924 N/A MET 81.A N GLN 77.A O no hydrogen 2.875 N/A ALA 82.A N PHE 78.A O no hydrogen 2.920 N/A PHE 83.A N LEU 79.A O no hydrogen 2.891 N/A GLN 85.A N GLN 85.A OE1 no hydrogen 3.024 N/A GLN 85.A NE2 GLU 102.A OE2 no hydrogen 3.149 N/A PHE 86.A N PHE 83.A O no hydrogen 3.257 N/A LYS 89.A NZ GLY 93.A O no hydrogen 3.303 N/A GLY 90.A N GLN 94.A O no hydrogen 2.497 N/A GLN 92.A N GLN 94.A OE1 no hydrogen 2.912 N/A GLN 94.A N GLN 94.A OE1 no hydrogen 2.653 N/A GLN 97.A NE2 GLY 285.A O no hydrogen 2.700 N/A GLN 98.A N GLN 97.A OE1 no hydrogen 2.814 N/A GLN 98.A NE2 GLN 85.A O no hydrogen 3.496 N/A GLN 98.A NE2 LEU 96.A O no hydrogen 3.486 N/A ALA 100.A N TYR 287.A OH no hydrogen 3.427 N/A ASN 101.A N ASP 99.A OD1 no hydrogen 2.901 N/A ASN 101.A ND2 GLN 154.A OE1 no hydrogen 3.219 N/A CYS 103.A N ASP 99.A O no hydrogen 3.244 N/A TRP 104.A N ALA 100.A O no hydrogen 2.907 N/A ILE 105.A N ASN 101.A O no hydrogen 2.867 N/A GLN 106.A N GLU 102.A O no hydrogen 2.917 N/A GLN 106.A NE2 GLU 102.A OE2 no hydrogen 2.811 N/A MET 107.A N CYS 103.A O no hydrogen 2.948 N/A MET 108.A N TRP 104.A O no hydrogen 2.895 N/A ARG 109.A N ILE 105.A O no hydrogen 2.901 N/A VAL 110.A N GLN 106.A O no hydrogen 2.940 N/A LEU 111.A N MET 107.A O no hydrogen 2.941 N/A GLN 112.A N MET 108.A O no hydrogen 2.881 N/A GLN 112.A NE2 ASP 124.A OD1 no hydrogen 2.766 N/A GLN 113.A N ARG 109.A O no hydrogen 2.952 N/A GLN 113.A NE2 ARG 109.A O no hydrogen 3.550 N/A LYS 114.A N LEU 111.A O no hydrogen 3.352 N/A LYS 114.A NZ TYR 36.A OH no hydrogen 3.323 N/A LEU 115.A N LEU 111.A O no hydrogen 2.813 N/A ILE 118.A N GLN 125.A OE1 no hydrogen 2.939 N/A LYS 120.A NZ LYS 120.A O no hydrogen 3.545 N/A SER 121.A OG GLN 112.A O no hydrogen 3.146 N/A SER 121.A OG ASP 124.A OD2 no hydrogen 3.399 N/A LEU 122.A N LEU 115.A O no hydrogen 3.227 N/A ASP 124.A N SER 121.A OG no hydrogen 3.292 N/A GLN 125.A N SER 121.A O no hydrogen 2.995 N/A GLN 125.A NE2 ILE 118.A O no hydrogen 3.204 N/A PHE 126.A N LEU 122.A O no hydrogen 2.921 N/A PHE 127.A N ILE 123.A O no hydrogen 2.896 N/A GLY 128.A N ASP 124.A O no hydrogen 3.049 N/A VAL 129.A N GLN 152.A O no hydrogen 2.660 N/A GLU 130.A N ARG 199.A O no hydrogen 2.954 N/A PHE 131.A N GLU 150.A O no hydrogen 2.903 N/A GLU 132.A N LYS 196.A O no hydrogen 3.050 N/A THR 133.A N GLY 148.A O no hydrogen 2.898 N/A THR 134.A N SER 194.A O no hydrogen 2.980 N/A THR 134.A OG1 SER 194.A OG no hydrogen 2.508 N/A MET 135.A N THR 146.A O no hydrogen 2.873 N/A LYS 136.A N ILE 192.A O no hydrogen 3.004 N/A LYS 136.A NZ CYS 137.A O no hydrogen 3.353 N/A LYS 136.A NZ GLU 141.A OE2 no hydrogen 2.434 N/A CYS 137.A SG LEU 190.A O no hydrogen 3.801 N/A THR 138.A N LEU 190.A O no hydrogen 2.811 N/A THR 138.A OG1 LEU 190.A O no hydrogen 2.995 N/A SER 140.A OG THR 184.A OG1 no hydrogen 3.173 N/A GLU 143.A N SER 140.A OG no hydrogen 3.363 N/A THR 146.A N MET 135.A O no hydrogen 2.939 N/A GLY 148.A N THR 133.A O no hydrogen 2.910 N/A GLU 150.A N PHE 131.A O no hydrogen 2.930 N/A GLN 152.A N VAL 129.A O no hydrogen 2.831 N/A GLN 154.A NE2 ASN 101.A OD1 no hydrogen 3.545 N/A GLN 154.A NE2 GLN 207.A OE1 no hydrogen 3.304 N/A LEU 155.A N THR 205.A O no hydrogen 2.747 N/A CYS 157.A N GLN 207.A O no hydrogen 2.843 N/A CYS 157.A SG PHE 158.A O no hydrogen 3.604 N/A CYS 157.A SG LEU 166.A O no hydrogen 3.449 N/A PHE 158.A N GLY 169.A O no hydrogen 3.186 N/A GLN 161.A N GLN 161.A OE1 no hydrogen 2.672 N/A GLU 162.A N ASN 160.A OD1 no hydrogen 3.153 N/A VAL 163.A N ASN 160.A O no hydrogen 3.346 N/A LEU 166.A N LYS 222.A O no hydrogen 2.829 N/A LEU 170.A N LEU 166.A O no hydrogen 2.975 N/A LYS 171.A N PHE 167.A O no hydrogen 2.902 N/A LEU 172.A N THR 168.A O no hydrogen 2.913 N/A ARG 173.A N GLY 169.A O no hydrogen 2.947 N/A LEU 174.A N LEU 170.A O no hydrogen 2.997 N/A GLN 175.A N LEU 172.A O no hydrogen 3.301 N/A GLU 176.A N LYS 193.A O no hydrogen 2.925 N/A ILE 178.A N TYR 191.A O no hydrogen 2.928 N/A LYS 180.A N ALA 189.A O no hydrogen 2.953 N/A SER 182.A N ARG 187.A O no hydrogen 2.881 N/A SER 182.A OG GLU 143.A OE1 no hydrogen 2.817 N/A SER 182.A OG TYR 191.A OH no hydrogen 3.310 N/A THR 184.A OG1 SER 140.A OG no hydrogen 3.173 N/A THR 184.A OG1 GLU 143.A OE1 no hydrogen 3.190 N/A LEU 185.A N SER 182.A O no hydrogen 3.252 N/A LEU 185.A N SER 182.A OG no hydrogen 3.274 N/A GLN 186.A N SER 182.A O no hydrogen 2.887 N/A ARG 187.A NH1 GLU 139.A OE1 no hydrogen 2.997 N/A ARG 187.A NH1 ASN 188.A O no hydrogen 2.917 N/A ARG 187.A NH2 GLU 139.A OE1 no hydrogen 2.907 N/A ALA 189.A N LYS 180.A O no hydrogen 2.899 N/A LEU 190.A N GLU 139.A OE2 no hydrogen 3.066 N/A TYR 191.A N ILE 178.A O no hydrogen 2.856 N/A TYR 191.A OH GLU 143.A OE1 no hydrogen 3.065 N/A TYR 191.A OH GLU 143.A OE2 no hydrogen 2.611 N/A ILE 192.A N LYS 136.A O no hydrogen 2.863 N/A LYS 193.A N GLU 176.A O no hydrogen 2.863 N/A LYS 193.A NZ GLU 150.A OE2 no hydrogen 2.616 N/A SER 194.A N THR 134.A O no hydrogen 3.008 N/A SER 195.A N LEU 174.A O no hydrogen 3.022 N/A LYS 196.A N GLU 132.A O no hydrogen 3.353 N/A ILE 197.A N LEU 232.A O no hydrogen 2.824 N/A SER 198.A N GLU 130.A O no hydrogen 2.565 N/A SER 198.A OG GLU 130.A O no hydrogen 2.907 N/A ARG 199.A N GLU 130.A O no hydrogen 2.964 N/A ARG 199.A NE ASP 260.A OD2 no hydrogen 2.678 N/A ARG 199.A NH1 GLN 125.A O no hydrogen 2.977 N/A ARG 199.A NH1 GLY 128.A O no hydrogen 2.839 N/A ARG 199.A NH2 GLN 125.A O no hydrogen 2.748 N/A ARG 199.A NH2 ASP 260.A OD1 no hydrogen 3.263 N/A ARG 199.A NH2 ASP 260.A OD2 no hydrogen 3.474 N/A ALA 202.A N GLY 262.A O no hydrogen 3.012 N/A TYR 203.A N PHE 126.A O no hydrogen 3.068 N/A TYR 203.A OH GLU 28.A OE1 no hydrogen 2.557 N/A LEU 204.A N TYR 331.A O no hydrogen 2.910 N/A ILE 206.A N LEU 329.A O no hydrogen 2.877 N/A GLN 207.A N LEU 155.A O no hydrogen 2.716 N/A MET 208.A N TYR 327.A O no hydrogen 2.884 N/A VAL 209.A N CYS 157.A O no hydrogen 2.985 N/A ARG 210.A NE ALA 326.A O no hydrogen 2.914 N/A ARG 210.A NH1 VAL 217.A O no hydrogen 3.095 N/A ARG 210.A NH1 LYS 219.A O no hydrogen 2.792 N/A ARG 210.A NH2 LYS 219.A O no hydrogen 3.423 N/A LYS 216.A NZ HIS 277.A ND1 no hydrogen 2.956 N/A LYS 216.A NZ HIS 277.A O no hydrogen 3.420 N/A LYS 216.A NZ GLY 279.A O no hydrogen 2.686 N/A VAL 217.A N ARG 210.A O no hydrogen 3.049 N/A LYS 219.A NZ VAL 163.A O no hydrogen 2.375 N/A LYS 219.A NZ ASP 220.A O no hydrogen 3.093 N/A VAL 221.A N SER 318.A O no hydrogen 3.067 N/A LYS 222.A N LYS 164.A O no hydrogen 2.864 N/A LYS 222.A NZ ASP 220.A OD2 no hydrogen 2.962 N/A LEU 227.A N TYR 269.A O no hydrogen 2.917 N/A MET 229.A N GLY 267.A O no hydrogen 2.911 N/A TYR 230.A N ASP 228.A OD1 no hydrogen 3.140 N/A LEU 232.A N MET 229.A O no hydrogen 3.098 N/A CYS 233.A N TYR 230.A O no hydrogen 3.150 N/A CYS 233.A SG MET 229.A O no hydrogen 3.266 N/A THR 234.A N ILE 197.A O no hydrogen 3.028 N/A LEU 237.A N THR 234.A OG1 no hydrogen 3.294 N/A GLN 238.A N THR 234.A O no hydrogen 3.047 N/A GLN 238.A NE2 TYR 230.A O no hydrogen 2.946 N/A GLU 239.A N PRO 235.A O no hydrogen 2.914 N/A LYS 240.A N GLU 236.A O no hydrogen 2.960 N/A MET 241.A N LEU 237.A O no hydrogen 2.914 N/A MET 241.A N GLN 238.A O no hydrogen 2.973 N/A VAL 242.A N GLN 238.A O no hydrogen 2.973 N/A PHE 244.A N MET 241.A O no hydrogen 3.014 N/A ARG 245.A N MET 241.A O no hydrogen 2.923 N/A ARG 245.A NH1 ASP 228.A OD1 no hydrogen 2.769 N/A ARG 245.A NH1 CYS 266.A O no hydrogen 2.810 N/A ARG 245.A NH2 ASP 228.A OD1 no hydrogen 3.317 N/A ARG 245.A NH2 ASP 228.A OD2 no hydrogen 2.906 N/A SER 246.A N VAL 242.A O no hydrogen 2.914 N/A LYS 247.A N PHE 244.A O no hydrogen 3.280 N/A PHE 248.A N ARG 245.A O no hydrogen 3.086 N/A ASP 250.A N LYS 247.A O no hydrogen 3.459 N/A LEU 251.A N LYS 249.A O no hydrogen 2.787 N/A SER 256.A OG SER 263.A O no hydrogen 2.637 N/A PHE 257.A N SER 263.A OG no hydrogen 2.984 N/A ASP 260.A N PHE 257.A O no hydrogen 3.255 N/A SER 263.A N ASP 260.A O no hydrogen 3.159 N/A SER 263.A OG ASP 260.A O no hydrogen 2.550 N/A ASN 264.A N LEU 200.A O no hydrogen 2.981 N/A ASN 264.A ND2 TYR 268.A O no hydrogen 2.987 N/A ASN 265.A N PHE 255.A O no hydrogen 2.923 N/A ASN 265.A ND2 PRO 254.A O no hydrogen 3.116 N/A ASN 265.A ND2 SER 256.A O no hydrogen 3.588 N/A CYS 266.A N ASN 264.A OD1 no hydrogen 3.083 N/A CYS 266.A SG ASN 264.A OD1 no hydrogen 3.524 N/A CYS 266.A SG ASN 265.A OD1 no hydrogen 3.791 N/A GLY 267.A N ASN 264.A OD1 no hydrogen 3.131 N/A TYR 269.A N LEU 227.A O no hydrogen 2.886 N/A TYR 269.A OH PRO 201.A O no hydrogen 2.510 N/A ASP 270.A N GLY 332.A O no hydrogen 2.767 N/A LEU 271.A N LEU 225.A O no hydrogen 2.779 N/A GLN 272.A N LEU 330.A O no hydrogen 2.927 N/A GLN 272.A NE2 SER 25.A OG no hydrogen 3.362 N/A ALA 273.A N LEU 330.A O no hydrogen 2.965 N/A VAL 274.A N TRP 290.A O no hydrogen 2.858 N/A LEU 275.A N VAL 328.A O no hydrogen 2.864 N/A THR 276.A N VAL 288.A O no hydrogen 2.905 N/A THR 276.A OG1 VAL 288.A O no hydrogen 3.057 N/A HIS 277.A N ILE 325.A O no hydrogen 2.966 N/A HIS 277.A NE2 SER 284.A O no hydrogen 2.957 N/A GLN 278.A N HIS 286.A O no hydrogen 2.711 N/A GLN 278.A NE2 ASP 322.A O no hydrogen 2.691 N/A SER 281.A OG SER 283.A OG no hydrogen 3.299 N/A SER 283.A N SER 281.A OG no hydrogen 3.328 N/A SER 283.A OG SER 281.A OG no hydrogen 3.299 N/A HIS 286.A N GLN 278.A O no hydrogen 2.943 N/A HIS 286.A NE2 ASP 302.A OD1 no hydrogen 2.733 N/A TYR 287.A OH GLN 98.A O no hydrogen 2.766 N/A VAL 288.A N THR 276.A O no hydrogen 2.921 N/A SER 289.A N PHE 301.A O no hydrogen 2.959 N/A SER 289.A OG ALA 18.A O no hydrogen 3.516 N/A TRP 290.A N VAL 274.A O no hydrogen 2.904 N/A TRP 290.A NE1 THR 276.A OG1 no hydrogen 2.658 N/A VAL 291.A N ILE 299.A O no hydrogen 2.886 N/A LYS 292.A N GLN 272.A O no hydrogen 2.961 N/A LYS 292.A NZ GLN 295.A OE1 no hydrogen 3.442 N/A ARG 293.A N GLU 297.A O no hydrogen 3.058 N/A ARG 293.A NH1 GLU 2.A O no hydrogen 3.514 N/A ARG 293.A NH2 GLU 297.A OE2 no hydrogen 2.431 N/A LYS 294.A N GLU 297.A O no hydrogen 3.169 N/A LYS 294.A NZ GLU 297.A OE2 no hydrogen 3.338 N/A GLU 297.A N LYS 294.A O no hydrogen 3.129 N/A TRP 298.A N VAL 309.A O no hydrogen 2.893 N/A ILE 299.A N VAL 291.A O no hydrogen 2.866 N/A LYS 300.A N SER 307.A O no hydrogen 2.847 N/A PHE 301.A N SER 289.A O no hydrogen 2.866 N/A ASP 302.A N LYS 305.A O no hydrogen 2.935 N/A LYS 305.A N ASP 302.A O no hydrogen 2.935 N/A SER 307.A N LYS 300.A O no hydrogen 2.973 N/A VAL 309.A N TRP 298.A O no hydrogen 2.907 N/A THR 310.A N ASP 313.A OD2 no hydrogen 3.454 N/A THR 310.A OG1 GLU 312.A OE1 no hydrogen 3.489 N/A ILE 314.A N THR 310.A O no hydrogen 3.139 N/A LEU 315.A N PRO 311.A O no hydrogen 2.896 N/A ARG 316.A N GLU 312.A O no hydrogen 2.936 N/A LEU 317.A N ILE 314.A O no hydrogen 3.172 N/A SER 318.A OG ASP 220.A OD1 no hydrogen 2.529 N/A SER 318.A OG LEU 315.A O no hydrogen 3.356 N/A GLY 320.A N LEU 218.A O no hydrogen 2.907 N/A ILE 325.A N HIS 277.A O no hydrogen 3.085 N/A ALA 326.A N LEU 317.A O no hydrogen 2.732 N/A TYR 327.A N LEU 275.A O no hydrogen 2.907 N/A TYR 327.A OH ASP 99.A OD1 no hydrogen 2.665 N/A TYR 327.A OH ASP 99.A OD2 no hydrogen 3.390 N/A VAL 328.A N LEU 275.A O no hydrogen 2.955 N/A LEU 329.A N ILE 206.A O no hydrogen 2.863 N/A LEU 330.A N ALA 273.A O no hydrogen 2.875 N/A TYR 331.A N LEU 204.A O no hydrogen 2.890 N/A TYR 331.A OH PRO 224.A O no hydrogen 2.659 N/A GLY 332.A N ASP 270.A O no hydrogen 2.746 N/A