Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ay9_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG HIS 2.A O no hydrogen 3.918 N/A ARG 4.A NH1 ASP 26.A OD1 no hydrogen 2.847 N/A ILE 5.A N HIS 3.A ND1 no hydrogen 3.144 N/A HIS 7.A N LEU 14.A O no hydrogen 2.915 N/A SER 9.A N VAL 12.A O no hydrogen 3.009 N/A ARG 11.A NH1 ASP 54.A OD2 no hydrogen 2.598 N/A ARG 11.A NH2 ASP 54.A OD2 no hydrogen 3.259 N/A VAL 12.A N SER 9.A O no hydrogen 2.857 N/A PHE 13.A N GLU 33.A O no hydrogen 3.002 N/A LEU 14.A N HIS 7.A O no hydrogen 2.898 N/A CYS 15.A N ARG 35.A O no hydrogen 2.857 N/A ASP 26.A N ASP 26.A OD1 no hydrogen 2.573 N/A ARG 29.A NE GLY 51.A O no hydrogen 3.238 N/A ALA 31.A N PRO 28.A O no hydrogen 3.424 N/A ILE 32.A N ARG 11.A O no hydrogen 2.800 N/A LEU 34.A N LYS 57.A O no hydrogen 2.990 N/A ARG 35.A N PHE 13.A O no hydrogen 2.867 N/A ARG 35.A NE GLU 33.A OE2 no hydrogen 2.909 N/A ARG 35.A NH2 GLU 33.A OE2 no hydrogen 3.190 N/A PHE 36.A N GLU 59.A O no hydrogen 2.717 N/A VAL 37.A N CYS 15.A O no hydrogen 3.001 N/A LEU 38.A N SER 61.A O no hydrogen 3.400 N/A THR 39.A N ASN 63.A OD1 no hydrogen 3.004 N/A THR 39.A OG1 ASN 63.A OD1 no hydrogen 2.656 N/A ILE 44.A N VAL 68.A O no hydrogen 3.105 N/A ALA 48.A N GLN 45.A O no hydrogen 2.968 N/A SER 50.A N GLY 47.A O no hydrogen 3.361 N/A SER 50.A OG ASP 72.A O no hydrogen 3.553 N/A SER 50.A OG SER 75.A O no hydrogen 3.523 N/A SER 50.A OG SER 75.A OG no hydrogen 2.867 N/A GLY 51.A N ASN 76.A O no hydrogen 3.331 N/A LEU 55.A N PHE 52.A O no hydrogen 3.390 N/A GLU 56.A N ILE 32.A O no hydrogen 2.628 N/A LYS 57.A N ILE 32.A O no hydrogen 3.432 N/A LYS 57.A NZ HIS 81.A NE2 no hydrogen 3.346 N/A LYS 57.A NZ GLU 82.A OE1 no hydrogen 3.152 N/A LYS 57.A NZ GLU 82.A OE2 no hydrogen 3.289 N/A ILE 58.A N GLU 82.A O no hydrogen 2.950 N/A GLU 59.A N LEU 34.A O no hydrogen 2.804 N/A ILE 60.A N ARG 84.A O no hydrogen 2.747 N/A SER 61.A N PHE 36.A O no hydrogen 3.044 N/A SER 61.A OG GLU 59.A OE2 no hydrogen 3.437 N/A GLN 62.A N GLU 86.A O no hydrogen 2.892 N/A ASN 63.A N LYS 87.A O no hydrogen 3.226 N/A ASN 63.A ND2 PHE 36.A O no hydrogen 3.564 N/A ASP 64.A N ASP 64.A OD1 no hydrogen 2.284 N/A GLU 67.A N ARG 42.A O no hydrogen 2.974 N/A ILE 69.A N TYR 93.A O no hydrogen 3.219 N/A GLU 70.A N ILE 44.A O no hydrogen 3.003 N/A ASP 72.A N GLU 97.A O no hydrogen 2.359 N/A PHE 74.A N ALA 98.A O no hydrogen 2.914 N/A SER 75.A OG SER 50.A OG no hydrogen 2.867 N/A SER 75.A OG ASP 72.A O no hydrogen 3.306 N/A LEU 80.A N LEU 77.A O no hydrogen 3.046 N/A HIS 81.A N GLU 56.A O no hydrogen 3.097 N/A GLU 82.A N GLU 56.A O no hydrogen 3.334 N/A ILE 83.A N TYR 107.A O no hydrogen 2.853 N/A ARG 84.A N ILE 58.A O no hydrogen 2.797 N/A ARG 84.A NE GLU 82.A OE2 no hydrogen 3.480 N/A ARG 84.A NH1 GLU 86.A OE2 no hydrogen 2.516 N/A ILE 85.A N LEU 109.A O no hydrogen 2.641 N/A GLU 86.A N ILE 60.A O no hydrogen 2.916 N/A LYS 87.A N SER 111.A O no hydrogen 2.882 N/A LYS 87.A NZ GLU 86.A OE1 no hydrogen 2.822 N/A ALA 88.A N ASN 112.A O no hydrogen 3.164 N/A ASN 90.A ND2 ASP 64.A O no hydrogen 2.853 N/A ASN 95.A N ILE 69.A O no hydrogen 3.057 N/A GLU 97.A N ASN 95.A OD1 no hydrogen 2.686 N/A ALA 98.A N ASN 95.A O no hydrogen 2.904 N/A GLN 100.A N PHE 74.A O no hydrogen 2.934 N/A GLN 100.A NE2 GLU 97.A O no hydrogen 3.363 N/A GLN 100.A NE2 GLU 97.A OE1 no hydrogen 3.297 N/A LEU 102.A N ILE 124.A O no hydrogen 3.003 N/A LEU 105.A N LEU 102.A O no hydrogen 3.190 N/A GLN 106.A N HIS 81.A O no hydrogen 2.541 N/A TYR 107.A N HIS 81.A O no hydrogen 2.895 N/A LEU 108.A N LEU 131.A O no hydrogen 3.060 N/A LEU 109.A N ILE 83.A O no hydrogen 2.824 N/A ILE 110.A N ASP 133.A O no hydrogen 2.950 N/A SER 111.A N ILE 85.A O no hydrogen 2.943 N/A ASN 112.A N GLN 135.A O no hydrogen 2.978 N/A THR 113.A N ASN 137.A OD1 no hydrogen 3.000 N/A THR 113.A OG1 ASN 137.A OD1 no hydrogen 2.498 N/A GLY 114.A N ALA 88.A O no hydrogen 3.224 N/A HIS 122.A ND1 ASP 120.A OD1 no hydrogen 2.755 N/A HIS 122.A ND1 ASP 120.A OD2 no hydrogen 3.233 N/A LYS 123.A NZ GLU 97.A OE1 no hydrogen 3.313 N/A LYS 123.A NZ GLU 97.A OE2 no hydrogen 3.253 N/A LYS 123.A NZ HIS 122.A NE2 no hydrogen 3.552 N/A ILE 124.A N VAL 121.A O no hydrogen 3.011 N/A HIS 125.A N GLY 150.A O no hydrogen 2.694 N/A SER 126.A N LEU 151.A O no hydrogen 3.117 N/A SER 126.A OG PRO 103.A O no hydrogen 3.122 N/A SER 126.A OG LEU 105.A O no hydrogen 2.858 N/A LEU 127.A N PRO 103.A O no hydrogen 2.690 N/A GLN 128.A N SER 126.A OG no hydrogen 3.301 N/A LYS 129.A NZ GLU 154.A OE1 no hydrogen 3.230 N/A LYS 129.A NZ SER 155.A OG no hydrogen 2.636 N/A LEU 131.A N GLN 106.A O no hydrogen 2.690 N/A LEU 132.A N ILE 157.A O no hydrogen 2.924 N/A ASP 133.A N LEU 108.A O no hydrogen 2.950 N/A ILE 134.A N TRP 159.A O no hydrogen 2.733 N/A GLN 135.A N ILE 110.A O no hydrogen 3.064 N/A GLN 135.A NE2 ASP 133.A OD1 no hydrogen 2.885 N/A ASP 136.A N LYS 162.A O no hydrogen 2.767 N/A ASN 137.A N ASN 163.A OD1 no hydrogen 3.079 N/A ASN 137.A ND2 ILE 110.A O no hydrogen 3.301 N/A ASN 137.A ND2 ASN 163.A OD1 no hydrogen 3.137 N/A ASN 139.A ND2 GLY 114.A O no hydrogen 2.908 N/A HIS 141.A ND1 GLY 164.A O no hydrogen 3.170 N/A ILE 143.A N GLU 167.A O no hydrogen 2.749 N/A ASN 146.A N SER 171.A O no hydrogen 2.702 N/A ASN 146.A ND2 ASN 174.A OD1 no hydrogen 2.105 N/A SER 147.A N ALA 172.A O no hydrogen 3.110 N/A SER 147.A OG GLU 144.A O no hydrogen 2.989 N/A LEU 151.A N PHE 148.A O no hydrogen 3.404 N/A SER 152.A OG SER 126.A O no hydrogen 3.243 N/A SER 152.A OG GLN 128.A O no hydrogen 2.905 N/A SER 152.A OG GLU 154.A O no hydrogen 2.838 N/A PHE 153.A N SER 126.A O no hydrogen 2.993 N/A SER 155.A N GLU 154.A OE1 no hydrogen 2.924 N/A SER 155.A OG ASP 179.A OD1 no hydrogen 3.362 N/A SER 155.A OG ASP 179.A OD2 no hydrogen 2.807 N/A VAL 156.A N GLN 177.A O no hydrogen 2.663 N/A ILE 157.A N VAL 130.A O no hydrogen 2.915 N/A LEU 158.A N GLU 180.A O no hydrogen 2.879 N/A TRP 159.A N LEU 132.A O no hydrogen 2.858 N/A TRP 159.A NE1 GLU 180.A OE2 no hydrogen 2.634 N/A LEU 160.A N ASN 182.A O no hydrogen 2.979 N/A ASN 161.A ND2 GLN 135.A OE1 no hydrogen 3.035 N/A LYS 162.A N SER 184.A O no hydrogen 3.018 N/A LYS 162.A NZ ASP 136.A OD1 no hydrogen 2.983 N/A ASN 163.A N ASN 186.A OD1 no hydrogen 2.840 N/A ASN 163.A ND2 ILE 134.A O no hydrogen 2.742 N/A ASN 163.A ND2 LEU 160.A O no hydrogen 2.285 N/A ILE 165.A N ASN 186.A OD1 no hydrogen 3.235 N/A GLN 166.A N HIS 141.A O no hydrogen 2.777 N/A GLU 167.A N HIS 141.A O no hydrogen 3.070 N/A HIS 169.A N ILE 143.A O no hydrogen 3.098 N/A SER 171.A N ASP 195.A O no hydrogen 3.026 N/A GLY 175.A N GLY 199.A O no hydrogen 2.520 N/A THR 176.A OG1 PHE 148.A O no hydrogen 3.555 N/A LEU 178.A N SER 201.A O no hydrogen 2.959 N/A ASP 179.A N VAL 156.A O no hydrogen 2.717 N/A LEU 181.A N ILE 205.A O no hydrogen 2.817 N/A ASN 182.A N LEU 158.A O no hydrogen 2.876 N/A LEU 183.A N ASP 207.A O no hydrogen 2.675 N/A SER 184.A N ASN 182.A OD1 no hydrogen 2.960 N/A SER 184.A OG ASN 182.A OD1 no hydrogen 2.819 N/A ASP 185.A N SER 209.A O no hydrogen 2.882 N/A ASN 186.A ND2 LEU 160.A O no hydrogen 3.314 N/A ASN 186.A ND2 LEU 183.A O no hydrogen 2.755 N/A ASN 187.A ND2 ARG 210.A O no hydrogen 3.285 N/A LEU 189.A N ASN 186.A O no hydrogen 3.350 N/A ASP 195.A N ASN 170.A OD1 no hydrogen 2.881 N/A VAL 196.A N PRO 193.A O no hydrogen 3.338 N/A HIS 198.A N ASP 195.A O no hydrogen 3.162 N/A ALA 200.A N PHE 197.A O no hydrogen 3.248 N/A SER 201.A N THR 176.A O no hydrogen 2.914 N/A VAL 204.A N ASP 179.A O no hydrogen 2.811 N/A ILE 205.A N ASP 179.A O no hydrogen 3.061 N/A LEU 206.A N LYS 226.A O no hydrogen 3.026 N/A ASP 207.A N LEU 181.A O no hydrogen 2.821 N/A ILE 208.A N ARG 228.A O no hydrogen 2.965 N/A SER 209.A N ASP 207.A OD1 no hydrogen 2.699 N/A SER 209.A OG ASP 207.A OD1 no hydrogen 2.976 N/A SER 209.A OG ARG 228.A O no hydrogen 3.436 N/A ARG 210.A N ARG 230.A O no hydrogen 2.752 N/A ARG 210.A NE ASP 185.A OD1 no hydrogen 2.716 N/A ARG 210.A NE ASP 185.A OD2 no hydrogen 2.949 N/A ARG 210.A NH2 ASP 185.A OD2 no hydrogen 2.725 N/A THR 211.A OG1 ILE 208.A O no hydrogen 2.837 N/A ARG 212.A NH1 ASN 188.A OD1 no hydrogen 2.987 N/A ARG 212.A NH2 ASN 188.A OD1 no hydrogen 3.221 N/A HIS 214.A N GLU 190.A O no hydrogen 3.000 N/A HIS 214.A NE2 GLU 190.A OE1 no hydrogen 2.436 N/A SER 218.A N ASN 194.A OD1 no hydrogen 3.172 N/A SER 218.A OG ASN 194.A OD1 no hydrogen 2.912 N/A TYR 219.A OH ASP 195.A OD1 no hydrogen 2.376 N/A GLY 220.A N GLU 222.A OE1 no hydrogen 2.903 N/A LEU 224.A N LEU 221.A O no hydrogen 3.120 N/A LYS 225.A N VAL 204.A O no hydrogen 2.795 N/A LYS 226.A N VAL 204.A O no hydrogen 3.036 N/A LEU 227.A N GLU 249.A O no hydrogen 2.842 N/A ARG 228.A N LEU 206.A O no hydrogen 2.969 N/A ARG 228.A NH1 GLU 249.A OE2 no hydrogen 3.057 N/A ARG 228.A NH2 GLU 249.A OE2 no hydrogen 3.390 N/A ALA 229.A N SER 251.A O no hydrogen 2.861 N/A ARG 230.A N SER 209.A OG no hydrogen 2.538 N/A ARG 230.A NH2 LEU 252.A O no hydrogen 3.345 N/A THR 232.A N THR 253.A OG1 no hydrogen 2.848 N/A LYS 243.A N THR 240.A O no hydrogen 2.700 N/A LEU 244.A N THR 240.A O no hydrogen 3.159 N/A MET 248.A N LYS 225.A O no hydrogen 2.619 N/A GLU 249.A N LYS 225.A O no hydrogen 2.949 N/A ALA 250.A N THR 292.A O no hydrogen 2.820 N/A SER 251.A N LEU 227.A O no hydrogen 2.903 N/A LEU 252.A N SER 294.A O no hydrogen 2.528 N/A THR 253.A OG1 ALA 229.A O no hydrogen 3.043 N/A TYR 254.A OH TYR 233.A O no hydrogen 2.434 N/A HIS 257.A N TYR 254.A O no hydrogen 2.800 N/A HIS 257.A NE2 LYS 236.A O no hydrogen 2.614 N/A CYS 258.A SG PRO 295.A O no hydrogen 3.344 N/A CYS 259.A N PRO 255.A O no hydrogen 3.126 N/A CYS 259.A SG PRO 255.A O no hydrogen 4.043 N/A ALA 260.A N SER 256.A O no hydrogen 3.068 N/A PHE 261.A N HIS 257.A O no hydrogen 3.085 N/A ALA 262.A N CYS 258.A O no hydrogen 2.893 N/A ASN 263.A N CYS 259.A O no hydrogen 2.935 N/A TRP 264.A N PHE 261.A O no hydrogen 3.346 N/A LEU 271.A N GLU 270.A OE1 no hydrogen 3.020 N/A HIS 272.A NE2 ASN 286.A OD1 no hydrogen 2.911 N/A ILE 274.A N HIS 272.A O no hydrogen 2.415 N/A SER 278.A OG LYS 277.A O no hydrogen 2.940 N/A THR 292.A N MET 248.A O no hydrogen 2.903 N/A CYS 293.A SG ALA 250.A O no hydrogen 3.779 N/A SER 294.A N ALA 250.A O no hydrogen 2.993 N/A