Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 HIS 93.A NE2 no hydrogen 3.027 N/A ASP 3.A N TYR 7.A O no hydrogen 2.777 N/A TYR 8.A OH GLU 14.A OE1 no hydrogen 3.037 N/A ARG 9.A N TRP 1.A O no hydrogen 3.433 N/A ASN 11.A ND2 GLU 14.A OE1 no hydrogen 3.276 N/A GLY 13.A N VAL 22.A O no hydrogen 2.810 N/A GLU 14.A N ASN 11.A O no hydrogen 3.299 N/A LEU 16.A N TYR 20.A O no hydrogen 2.810 N/A ARG 19.A N LEU 16.A O no hydrogen 3.164 N/A ARG 19.A NE ASP 37.A OD1 no hydrogen 2.940 N/A ARG 19.A NE ASP 37.A OD2 no hydrogen 3.332 N/A ARG 19.A NH2 ASP 37.A OD2 no hydrogen 2.734 N/A TYR 20.A N LEU 16.A O no hydrogen 2.826 N/A ASN 21.A N ARG 36.A O no hydrogen 2.916 N/A VAL 22.A N GLU 14.A O no hydrogen 3.030 N/A TYR 23.A N ARG 34.A O no hydrogen 3.102 N/A GLY 24.A N ARG 34.A O no hydrogen 3.514 N/A THR 26.A OG1 VAL 32.A O no hydrogen 3.515 N/A ASN 31.A N ILE 49.A O no hydrogen 3.113 N/A VAL 32.A N GLY 27.A O no hydrogen 3.010 N/A VAL 33.A N VAL 47.A O no hydrogen 2.902 N/A ARG 34.A N GLY 24.A O no hydrogen 3.113 N/A ARG 34.A NH1 LEU 101.A O no hydrogen 3.075 N/A ARG 34.A NH2 LEU 101.A O no hydrogen 2.961 N/A ALA 35.A N VAL 45.A O no hydrogen 2.904 N/A ARG 36.A N ASN 21.A O no hydrogen 3.039 N/A ARG 36.A NH1 GLU 44.A OE2 no hydrogen 3.387 N/A ASP 37.A N GLN 43.A O no hydrogen 2.851 N/A ASN 38.A N ARG 19.A O no hydrogen 2.795 N/A ASN 38.A ND2 ASN 42.A OD1 no hydrogen 2.810 N/A ALA 39.A N ASP 37.A OD1 no hydrogen 3.119 N/A ARG 40.A N ASP 37.A O no hydrogen 3.015 N/A ARG 40.A NH2 ALA 39.A O no hydrogen 2.775 N/A GLN 43.A N ARG 40.A O no hydrogen 3.315 N/A GLN 43.A NE2 GLU 44.A O no hydrogen 2.806 N/A VAL 45.A N ALA 35.A O no hydrogen 2.830 N/A ALA 46.A N PHE 98.A O no hydrogen 3.098 N/A VAL 47.A N VAL 33.A O no hydrogen 2.832 N/A LYS 48.A N LEU 96.A O no hydrogen 2.907 N/A LYS 48.A NZ GLU 63.A OE1 no hydrogen 2.985 N/A LYS 48.A NZ GLU 63.A OE2 no hydrogen 2.910 N/A LYS 48.A NZ ASP 165.A OD1 no hydrogen 3.282 N/A ILE 49.A N ASN 31.A O no hydrogen 2.775 N/A ILE 50.A N LEU 94.A O no hydrogen 2.954 N/A ASN 52.A N GLY 6.A O no hydrogen 2.748 N/A GLN 57.A NE2 ASN 52.A O no hydrogen 3.297 N/A THR 59.A N LEU 55.A O no hydrogen 3.437 N/A THR 59.A OG1 MET 56.A O no hydrogen 2.715 N/A GLY 60.A N MET 56.A O no hydrogen 3.116 N/A LEU 61.A N GLN 57.A O no hydrogen 3.230 N/A LYS 62.A N LYS 58.A O no hydrogen 3.157 N/A LYS 62.A NZ ALA 169.A O no hydrogen 3.055 N/A GLU 63.A N THR 59.A O no hydrogen 2.860 N/A LEU 64.A N GLY 60.A O no hydrogen 3.075 N/A GLU 65.A N LEU 61.A O no hydrogen 3.290 N/A PHE 66.A N LYS 62.A O no hydrogen 3.332 N/A LEU 67.A N GLU 63.A O no hydrogen 3.102 N/A LYS 68.A N LEU 64.A O no hydrogen 3.149 N/A LYS 69.A N GLU 65.A O no hydrogen 3.090 N/A LEU 70.A N PHE 66.A O no hydrogen 3.095 N/A ASN 71.A N LEU 67.A O no hydrogen 3.020 N/A ASP 72.A N LYS 68.A O no hydrogen 2.998 N/A ALA 73.A N LYS 69.A O no hydrogen 3.150 N/A ASP 74.A N LEU 70.A O no hydrogen 3.220 N/A ASP 74.A N ASN 71.A O no hydrogen 3.333 N/A LYS 78.A N ASP 74.A OD1 no hydrogen 3.062 N/A PHE 79.A N ASP 74.A OD2 no hydrogen 2.830 N/A HIS 80.A ND1 LEU 161.A O no hydrogen 3.124 N/A CYS 81.A SG PHE 79.A O no hydrogen 3.849 N/A LEU 82.A N LEU 163.A O no hydrogen 3.006 N/A ARG 83.A N GLU 99.A OE2 no hydrogen 3.066 N/A ARG 83.A NH1 ASP 74.A O no hydrogen 2.706 N/A ARG 83.A NH2 ASN 71.A O no hydrogen 3.549 N/A ARG 83.A NH2 ASP 74.A O no hydrogen 2.942 N/A PHE 85.A N VAL 97.A O no hydrogen 2.714 N/A ARG 86.A NH1 ASP 17.A OD2 no hydrogen 2.770 N/A ARG 86.A NH1 TYR 20.A OH no hydrogen 2.933 N/A ARG 86.A NH2 ASP 17.A OD2 no hydrogen 2.980 N/A PHE 88.A N CYS 95.A O no hydrogen 3.009 N/A HIS 90.A N HIS 93.A O no hydrogen 2.919 N/A HIS 90.A NE2 TYR 8.A OH no hydrogen 2.839 N/A HIS 90.A NE2 GLU 14.A OE2 no hydrogen 2.978 N/A HIS 93.A N HIS 90.A O no hydrogen 2.988 N/A HIS 93.A ND1 ILE 50.A O no hydrogen 2.950 N/A HIS 93.A NE2 THR 2.A OG1 no hydrogen 3.027 N/A CYS 95.A N PHE 88.A O no hydrogen 2.765 N/A CYS 95.A SG HIS 93.A O no hydrogen 3.640 N/A LEU 96.A N LYS 48.A O no hydrogen 2.908 N/A VAL 97.A N ARG 86.A O no hydrogen 2.828 N/A PHE 98.A N ALA 46.A O no hydrogen 2.746 N/A GLU 99.A N ARG 83.A O no hydrogen 3.184 N/A SER 102.A N VAL 154.A O no hydrogen 2.931 N/A SER 102.A OG GLU 156.A OE2 no hydrogen 3.474 N/A ASN 104.A N GLU 107.A OE2 no hydrogen 2.989 N/A LEU 105.A N ILE 152.A O no hydrogen 2.790 N/A ARG 106.A N PRO 149.A O no hydrogen 3.287 N/A ARG 106.A NH2 TYR 185.A OH no hydrogen 3.027 N/A GLU 107.A N ASN 104.A OD1 no hydrogen 2.921 N/A VAL 108.A N ASN 104.A O no hydrogen 3.249 N/A LEU 109.A N LEU 105.A O no hydrogen 3.210 N/A LYS 110.A N ARG 106.A O no hydrogen 3.339 N/A LYS 111.A N GLU 107.A O no hydrogen 3.321 N/A TYR 112.A N VAL 108.A O no hydrogen 3.033 N/A TYR 112.A N LEU 109.A O no hydrogen 3.183 N/A GLY 113.A N LEU 109.A O no hydrogen 3.230 N/A LEU 118.A N LEU 212.A O no hydrogen 2.732 N/A LYS 121.A N HIS 119.A ND1 no hydrogen 3.153 N/A VAL 123.A N HIS 119.A O no hydrogen 3.113 N/A ARG 124.A N ILE 120.A O no hydrogen 2.987 N/A ARG 124.A NH2 ILE 323.A O no hydrogen 2.885 N/A SER 125.A N LYS 121.A O no hydrogen 3.169 N/A TYR 126.A N ALA 122.A O no hydrogen 2.855 N/A TYR 126.A OH LYS 158.A O no hydrogen 2.595 N/A SER 127.A N VAL 123.A O no hydrogen 2.890 N/A SER 127.A OG VAL 123.A O no hydrogen 2.723 N/A SER 127.A OG ARG 124.A O no hydrogen 2.683 N/A GLN 128.A N ARG 124.A O no hydrogen 3.388 N/A GLN 129.A N SER 125.A O no hydrogen 3.214 N/A GLN 129.A NE2 SER 125.A O no hydrogen 3.338 N/A GLN 129.A NE2 SER 125.A OG no hydrogen 2.972 N/A GLN 129.A NE2 THR 159.A O no hydrogen 3.105 N/A LEU 130.A N TYR 126.A O no hydrogen 2.906 N/A PHE 131.A N SER 127.A O no hydrogen 2.800 N/A LEU 132.A N GLN 128.A O no hydrogen 2.982 N/A ALA 133.A N GLN 129.A O no hydrogen 3.141 N/A LEU 134.A N LEU 130.A O no hydrogen 3.153 N/A LYS 135.A N PHE 131.A O no hydrogen 3.134 N/A LEU 136.A N LEU 132.A O no hydrogen 3.295 N/A LEU 137.A N ALA 133.A O no hydrogen 2.964 N/A LYS 138.A N LEU 134.A O no hydrogen 2.855 N/A ARG 139.A N LYS 135.A O no hydrogen 2.824 N/A CYS 140.A N LEU 136.A O no hydrogen 3.057 N/A CYS 140.A SG LEU 136.A O no hydrogen 3.359 N/A ASN 141.A ND2 TYR 198.A OH no hydrogen 3.306 N/A ILE 142.A N LEU 137.A O no hydrogen 3.341 N/A LEU 143.A N SER 170.A O no hydrogen 2.778 N/A HIS 144.A N ASP 201.A OD2 no hydrogen 2.714 N/A HIS 144.A NE2 CYS 164.A O no hydrogen 2.781 N/A ALA 145.A N ASP 201.A OD1 no hydrogen 3.054 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.148 N/A LYS 148.A NZ SER 182.A OG no hydrogen 2.871 N/A ASN 151.A N LYS 148.A O no hydrogen 2.889 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.767 N/A ASN 151.A ND2 ASP 146.A OD1 no hydrogen 3.028 N/A ILE 152.A N PRO 149.A O no hydrogen 3.458 N/A LEU 153.A N LYS 162.A O no hydrogen 2.871 N/A VAL 154.A N MET 103.A O no hydrogen 2.824 N/A ASN 155.A N ILE 160.A O no hydrogen 3.039 N/A SER 157.A OG THR 159.A OG1 no hydrogen 2.898 N/A LYS 158.A N ASN 155.A O no hydrogen 3.030 N/A THR 159.A N ASN 155.A OD1 no hydrogen 2.948 N/A THR 159.A OG1 SER 157.A OG no hydrogen 2.898 N/A ILE 160.A N ASN 155.A OD1 no hydrogen 2.961 N/A LEU 161.A N GLN 129.A OE1 no hydrogen 2.766 N/A LYS 162.A N LEU 153.A O no hydrogen 2.721 N/A LYS 162.A NZ ASP 77.A OD1 no hydrogen 3.007 N/A LYS 162.A NZ ASP 77.A OD2 no hydrogen 2.810 N/A LYS 162.A NZ CYS 81.A O no hydrogen 3.213 N/A LYS 162.A NZ GLU 99.A OE2 no hydrogen 2.777 N/A LEU 163.A N HIS 80.A O no hydrogen 2.957 N/A CYS 164.A N ASN 151.A O no hydrogen 2.795 N/A CYS 164.A SG.A LYS 162.A O no hydrogen 3.374 N/A CYS 164.A SG.B ASN 151.A O no hydrogen 3.421 N/A ALA 169.A N PHE 166.A O no hydrogen 3.385 N/A SER 170.A N LEU 143.A O no hydrogen 2.886 N/A VAL 172.A N ASN 141.A O no hydrogen 3.367 N/A ALA 173.A N HIS 171.A ND1 no hydrogen 3.174 N/A THR 178.A N ASP 176.A O no hydrogen 2.944 N/A SER 182.A N ASP 146.A OD2 no hydrogen 3.353 N/A SER 182.A OG ASP 146.A OD2 no hydrogen 2.686 N/A ARG 183.A NE GLY 221.A O no hydrogen 2.772 N/A ARG 183.A NH2 GLY 221.A O no hydrogen 3.277 N/A TYR 185.A N SER 182.A O no hydrogen 2.842 N/A TYR 185.A OH GLU 211.A OE1 no hydrogen 3.371 N/A TYR 185.A OH GLU 211.A OE2 no hydrogen 2.545 N/A ARG 186.A N ARG 183.A O no hydrogen 3.311 N/A ARG 186.A NE LEU 180.A O no hydrogen 2.956 N/A ARG 186.A NE VAL 181.A O no hydrogen 2.968 N/A ARG 186.A NH1 VAL 181.A O no hydrogen 2.865 N/A ARG 186.A NH2 ASN 224.A OD1 no hydrogen 2.781 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 3.001 N/A ILE 190.A N ALA 187.A O no hydrogen 3.127 N/A ILE 192.A N PRO 188.A O no hydrogen 3.039 N/A LYS 194.A N GLU 189.A O no hydrogen 2.827 N/A TYR 196.A OH ASP 176.A O no hydrogen 2.971 N/A ILE 200.A N ASP 197.A O no hydrogen 3.392 N/A ASP 201.A N TYR 198.A O no hydrogen 3.179 N/A MET 202.A N TYR 198.A O no hydrogen 3.276 N/A TRP 203.A N GLY 199.A O no hydrogen 2.891 N/A SER 204.A N ILE 200.A O no hydrogen 3.140 N/A SER 204.A OG TYR 185.A O no hydrogen 2.815 N/A SER 204.A OG ILE 200.A O no hydrogen 2.969 N/A VAL 205.A N ASP 201.A O no hydrogen 3.116 N/A GLY 206.A N MET 202.A O no hydrogen 3.099 N/A CYS 207.A N TRP 203.A O no hydrogen 3.077 N/A CYS 207.A SG PHE 184.A O no hydrogen 3.991 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.457 N/A THR 208.A N SER 204.A O no hydrogen 3.135 N/A THR 208.A OG1 SER 204.A O no hydrogen 2.738 N/A LEU 209.A N VAL 205.A O no hydrogen 2.822 N/A TYR 210.A N GLY 206.A O no hydrogen 3.316 N/A GLU 211.A N CYS 207.A O no hydrogen 3.302 N/A LEU 212.A N THR 208.A O no hydrogen 2.790 N/A THR 214.A N TYR 210.A O no hydrogen 3.003 N/A THR 214.A OG1 TYR 210.A O no hydrogen 2.689 N/A THR 214.A OG1 LYS 216.A O no hydrogen 3.291 N/A GLY 215.A N GLU 211.A O no hydrogen 2.815 N/A LYS 216.A N THR 214.A OG1 no hydrogen 3.273 N/A LYS 222.A N HIS 226.A ND1 no hydrogen 3.209 N/A ASN 224.A ND2 PRO 179.A O no hydrogen 2.948 N/A ASN 225.A ND2 MET 260.A O no hydrogen 3.359 N/A MET 227.A N THR 223.A O no hydrogen 3.039 N/A LEU 228.A N ASN 224.A O no hydrogen 3.374 N/A LYS 229.A N ASN 225.A O no hydrogen 3.255 N/A LYS 229.A NZ ASP 233.A OD1 no hydrogen 2.777 N/A LYS 229.A NZ ASP 233.A OD2 no hydrogen 3.475 N/A LEU 230.A N HIS 226.A O no hydrogen 3.054 N/A ALA 231.A N MET 227.A O no hydrogen 3.055 N/A MET 232.A N LEU 228.A O no hydrogen 2.816 N/A LYS 235.A N ALA 231.A O no hydrogen 3.451 N/A LYS 235.A NZ ASP 301.A O no hydrogen 3.043 N/A GLY 236.A N MET 232.A O no hydrogen 2.854 N/A LYS 237.A NZ LEU 257.A O no hydrogen 3.114 N/A LYS 237.A NZ SER 271.A O no hydrogen 3.243 N/A MET 242.A N PRO 239.A O no hydrogen 3.050 N/A ILE 243.A N PRO 239.A O no hydrogen 3.225 N/A ARG 244.A N ASN 240.A O no hydrogen 3.383 N/A LYS 245.A N MET 242.A O no hydrogen 3.263 N/A GLY 246.A N ILE 243.A O no hydrogen 3.332 N/A VAL 247.A N ILE 192.A O no hydrogen 2.969 N/A PHE 248.A N ILE 192.A O no hydrogen 2.810 N/A LYS 249.A NZ GLY 246.A O no hydrogen 2.904 N/A HIS 252.A N LYS 249.A O no hydrogen 3.299 N/A HIS 252.A ND1 ASN 225.A OD1 no hydrogen 2.969 N/A PHE 253.A N LYS 249.A O no hydrogen 2.760 N/A ASP 254.A N ASN 258.A O no hydrogen 3.024 N/A ASN 256.A N ASP 254.A OD2 no hydrogen 3.025 N/A LEU 257.A N ASP 254.A O no hydrogen 3.076 N/A ASN 258.A N ASP 254.A OD2 no hydrogen 3.329 N/A PHE 259.A N MET 270.A O no hydrogen 3.097 N/A MET 260.A N HIS 252.A O no hydrogen 2.808 N/A TYR 261.A N THR 268.A O no hydrogen 2.872 N/A GLU 263.A N LYS 266.A O no hydrogen 2.898 N/A THR 268.A N TYR 261.A O no hydrogen 2.892 N/A THR 268.A OG1 TYR 261.A O no hydrogen 3.073 N/A MET 270.A N PHE 259.A O no hydrogen 2.798 N/A THR 276.A N ASP 233.A O no hydrogen 2.928 N/A LYS 277.A N ASP 233.A O no hydrogen 3.052 N/A ALA 281.A N ASP 278.A OD1 no hydrogen 3.482 N/A ASP 282.A N ASP 278.A O no hydrogen 3.332 N/A LEU 283.A N LEU 279.A O no hydrogen 2.829 N/A ILE 284.A N LEU 280.A O no hydrogen 3.168 N/A ARG 290.A N PRO 286.A O no hydrogen 2.795 N/A LYS 291.A N GLU 287.A O no hydrogen 3.117 N/A LYS 292.A NZ GLN 295.A OE1 no hydrogen 2.820 N/A LYS 292.A NZ PHE 322.A O no hydrogen 2.792 N/A VAL 293.A N GLN 289.A O no hydrogen 3.054 N/A HIS 294.A N ARG 290.A O no hydrogen 3.233 N/A GLN 295.A N LYS 291.A O no hydrogen 3.168 N/A LEU 296.A N LYS 292.A O no hydrogen 2.979 N/A LYS 297.A N VAL 293.A O no hydrogen 2.925 N/A LYS 297.A NZ ASP 301.A OD1 no hydrogen 3.278 N/A LYS 297.A NZ ASP 301.A OD2 no hydrogen 2.945 N/A ASP 298.A N HIS 294.A O no hydrogen 3.177 N/A LEU 299.A N GLN 295.A O no hydrogen 3.144 N/A LEU 300.A N LEU 296.A O no hydrogen 2.846 N/A ASP 301.A N LYS 297.A O no hydrogen 3.064 N/A GLN 302.A N ASP 298.A O no hydrogen 3.274 N/A ILE 303.A N LEU 299.A O no hydrogen 3.040 N/A LEU 304.A N LEU 300.A O no hydrogen 2.792 N/A ALA 309.A N ASP 307.A OD2 no hydrogen 3.507 N/A LYS 310.A N ASP 307.A O no hydrogen 3.071 N/A ARG 311.A NH1 GLU 189.A OE1 no hydrogen 3.208 N/A ARG 311.A NH1 MET 305.A O no hydrogen 2.911 N/A ARG 311.A NH2 GLU 189.A OE1 no hydrogen 3.114 N/A ARG 311.A NH2 GLY 199.A O no hydrogen 2.809 N/A ILE 312.A N GLN 302.A O no hydrogen 3.241 N/A GLN 316.A N SER 313.A OG no hydrogen 3.287 N/A ALA 317.A N SER 313.A O no hydrogen 3.007 N/A LEU 318.A N ILE 314.A O no hydrogen 3.061 N/A GLN 319.A N ASN 315.A O no hydrogen 3.062 N/A HIS 320.A N ALA 317.A O no hydrogen 3.407 N/A PHE 322.A N HIS 320.A ND1 no hydrogen 3.177 N/A ILE 323.A N HIS 320.A O no hydrogen 3.055 N/A GLN 324.A N HIS 320.A O no hydrogen 3.067 N/A GLU 325.A N ALA 321.A O no hydrogen 2.941 N/A