Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qdg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG PRO 6.A O no hydrogen 3.611 N/A HIS 7.A ND1 ASP 128.A OD1 no hydrogen 2.742 N/A HIS 7.A NE2 THR 126.A OG1 no hydrogen 2.743 N/A GLY 8.A N ALA 127.A O no hydrogen 3.027 N/A VAL 9.A N LEU 61.A O no hydrogen 3.062 N/A SER 10.A N SER 131.A O no hydrogen 2.822 N/A ARG 12.A N GLY 133.A O no hydrogen 2.876 N/A ARG 12.A NH2 GLU 56.A OE2.B no hydrogen 3.460 N/A ILE 14.A N VAL 135.A O no hydrogen 2.969 N/A TYR 15.A N ASN 22.A OD1 no hydrogen 2.811 N/A ASN 18.A N ASP 16.A O no hydrogen 2.870 N/A ASN 18.A ND2 ALA 21.A O no hydrogen 3.005 N/A TYR 20.A N ASN 18.A O no hydrogen 3.198 N/A ALA 21.A N ASN 18.A OD1 no hydrogen 3.308 N/A ASN 22.A ND2 GLU 56.A OE2.B no hydrogen 3.071 N/A ALA 23.A N TYR 15.A O no hydrogen 2.866 N/A PHE 24.A N ASN 22.A OD1 no hydrogen 3.102 N/A LYS 26.A N ALA 23.A O no hydrogen 3.235 N/A LYS 27.A N ALA 23.A O no hydrogen 2.880 N/A LYS 27.A N PHE 24.A O no hydrogen 3.186 N/A VAL 28.A N PHE 24.A O no hydrogen 2.783 N/A CYS 30.A SG ASP 29.A OD1 no hydrogen 3.529 N/A LEU 31.A N VAL 48.A O no hydrogen 2.705 N/A THR 32.A N TYR 73.A O no hydrogen 2.811 N/A LEU 33.A N ARG 46.A O no hydrogen 2.767 N/A LEU 34.A N VAL 71.A O no hydrogen 2.758 N/A VAL 35.A N ASP 44.A O no hydrogen 2.765 N/A TYR 36.A N HIS 69.A O no hydrogen 2.941 N/A ASP 37.A N ASN 41.A O no hydrogen 2.976 N/A ASN 39.A N ASP 37.A OD1 no hydrogen 2.874 N/A GLY 40.A N ASP 37.A O no hydrogen 2.991 N/A ASN 41.A N ASP 37.A OD1 no hydrogen 2.973 N/A TYR 42.A OH THR 45.A OG1 no hydrogen 2.642 N/A VAL 43.A N VAL 35.A O no hydrogen 2.797 N/A ASP 44.A N VAL 35.A O no hydrogen 3.343 N/A THR 45.A OG1 TYR 42.A OH no hydrogen 2.642 N/A ARG 46.A N LEU 33.A O no hydrogen 2.806 N/A ARG 46.A NH1.A THR 45.A O no hydrogen 3.537 N/A VAL 48.A N LEU 31.A O no hydrogen 2.794 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 3.169 N/A GLN 54.A N THR 51.A O no hydrogen 2.970 N/A ASP 55.A N GLU 52.A O no hydrogen 3.224 N/A ASN 57.A N ASP 55.A OD1 no hydrogen 3.174 N/A TYR 58.A N ASP 55.A O no hydrogen 3.182 N/A ARG 59.A NE.B SER 10.A OG no hydrogen 2.981 N/A ARG 59.A NH1.A GLU 56.A O no hydrogen 3.300 N/A ARG 59.A NH1.A TYR 58.A O no hydrogen 2.763 N/A ARG 59.A NH2.B SER 10.A O no hydrogen 2.788 N/A LYS 60.A NZ ASP 62.A OD2 no hydrogen 3.105 N/A LYS 60.A NZ TYR 130.A OH no hydrogen 3.367 N/A LEU 61.A N VAL 9.A O no hydrogen 2.812 N/A LEU 63.A N HIS 7.A O no hydrogen 3.016 N/A GLY 66.A N THR 126.A OG1 no hydrogen 2.996 N/A ASN 67.A ND2 GLU 38.A OE2 no hydrogen 2.937 N/A TYR 68.A N LEU 124.A O no hydrogen 2.933 N/A TYR 68.A OH LYS 64.A O no hydrogen 2.597 N/A HIS 69.A N TYR 36.A O no hydrogen 2.994 N/A HIS 69.A ND1 THR 123.A OG1 no hydrogen 2.642 N/A HIS 69.A NE2 GLU 121.A OE1 no hydrogen 2.952 N/A PHE 70.A N LEU 122.A O no hydrogen 2.675 N/A VAL 71.A N LEU 34.A O no hydrogen 2.961 N/A ALA 72.A N GLY 120.A O no hydrogen 2.813 N/A TYR 73.A N THR 32.A O no hydrogen 2.779 N/A GLY 74.A N TYR 118.A O no hydrogen 2.902 N/A GLY 75.A N CYS 30.A O no hydrogen 3.273 N/A CYS 78.A SG ASP 29.A OD2 no hydrogen 3.431 N/A CYS 78.A SG HIS 115.A NE2 no hydrogen 3.325 N/A LYS 80.A NZ ASP 29.A OD2 no hydrogen 3.393 N/A SER 81.A N CYS 78.A O no hydrogen 3.379 N/A SER 81.A OG GLY 75.A O no hydrogen 2.674 N/A SER 81.A OG PHE 83.A O no hydrogen 3.085 N/A PHE 83.A N SER 81.A OG no hydrogen 3.402 N/A LEU 84.A N GLU 100.A O no hydrogen 2.777 N/A LYS 85.A NZ GLU 100.A OE1 no hydrogen 3.039 N/A GLU 90.A N THR 87.A O no hydrogen 2.972 N/A GLY 93.A N ASP 96.A OD2 no hydrogen 3.154 N/A TYR 94.A N GLY 40.A O no hydrogen 2.849 N/A TYR 94.A OH GLU 121.A OE1 no hydrogen 2.478 N/A TYR 94.A OH GLU 121.A OE2 no hydrogen 3.383 N/A ASP 96.A N GLY 93.A O no hydrogen 2.888 N/A GLN 98.A N LYS 85.A O no hydrogen 3.289 N/A VAL 99.A N PHE 169.A O no hydrogen 3.170 N/A GLU 100.A N LEU 84.A O no hydrogen 2.891 N/A LEU 101.A N ILE 167.A O no hydrogen 2.858 N/A ASP 102.A N SER 82.A O no hydrogen 2.921 N/A GLU 104.A N ASP 102.A OD1 no hydrogen 3.244 N/A CYS 105.A N ASP 102.A O no hydrogen 3.071 N/A CYS 105.A SG SER 82.A O no hydrogen 3.811 N/A LEU 106.A N SER 103.A O no hydrogen 3.079 N/A ASN 108.A N GLU 104.A O no hydrogen 2.807 N/A ARG 110.A N ASN 108.A OD1 no hydrogen 2.981 N/A ARG 111.A N ASN 108.A O no hydrogen 2.822 N/A ARG 111.A NH1 ASP 102.A OD2 no hydrogen 3.005 N/A ARG 111.A NH2 SER 81.A O no hydrogen 2.975 N/A LYS 112.A NZ THR 183.A OG1 no hydrogen 3.069 N/A LEU 114.A N SER 209.A OG no hydrogen 2.853 N/A HIS 115.A N SER 82.A OG no hydrogen 2.811 N/A TYR 118.A N GLY 74.A O no hydrogen 2.840 N/A GLY 120.A N ALA 72.A O no hydrogen 3.153 N/A LEU 122.A N PHE 70.A O no hydrogen 2.926 N/A THR 123.A OG1 HIS 69.A ND1 no hydrogen 2.642 N/A LEU 124.A N TYR 68.A O no hydrogen 2.754 N/A THR 126.A N GLY 66.A O no hydrogen 2.895 N/A THR 126.A OG1 HIS 7.A NE2 no hydrogen 2.743 N/A THR 126.A OG1 GLY 66.A O no hydrogen 3.292 N/A ALA 127.A N GLY 8.A O no hydrogen 3.052 N/A LEU 129.A N PRO 6.A O no hydrogen 2.767 N/A TYR 130.A N ALA 127.A O no hydrogen 3.253 N/A TYR 130.A OH ASP 62.A OD1 no hydrogen 2.685 N/A SER 131.A N GLY 8.A O no hydrogen 3.021 N/A SER 131.A OG GLY 8.A O no hydrogen 3.381 N/A SER 131.A OG ALA 125.A O no hydrogen 2.669 N/A GLY 133.A N SER 10.A O no hydrogen 3.167 N/A VAL 135.A N ARG 12.A O no hydrogen 2.776 N/A LYS 137.A NZ SER 261.A OG no hydrogen 2.941 N/A ASN 138.A N LEU 117.A O no hydrogen 2.700 N/A ASN 138.A ND2 ASN 173.A OD1 no hydrogen 2.958 N/A ASN 140.A N THR 210.A O no hydrogen 3.002 N/A ASN 140.A ND2 SER 211.A O no hydrogen 3.176 N/A ASN 141.A N SER 261.A O no hydrogen 2.822 N/A ASN 141.A ND2 GLU 207.A OE1 no hydrogen 2.734 N/A ILE 142.A N LEU 208.A O no hydrogen 2.781 N/A ARG 143.A N TRP 263.A O no hydrogen 2.832 N/A ARG 143.A NH1.A GLU 207.A OE2 no hydrogen 2.595 N/A VAL 144.A N ALA 206.A O no hydrogen 2.779 N/A LEU 146.A N ALA 204.A O no hydrogen 2.880 N/A GLN 147.A N PHE 266.A O no hydrogen 2.959 N/A GLN 148.A NE2 PRO 152.A O no hydrogen 2.903 N/A GLY 150.A N GLN 148.A O no hydrogen 3.086 N/A GLU 151.A N ASN 149.A OD1 no hydrogen 2.916 N/A VAL 153.A N VAL 202.A O no hydrogen 3.150 N/A LYS 156.A N ASP 154.A OD1 no hydrogen 3.107 N/A LYS 156.A NZ ASP 154.A OD1 no hydrogen 2.859 N/A LYS 156.A NZ ASP 154.A OD2 no hydrogen 3.030 N/A LYS 157.A N ASP 154.A O no hydrogen 3.152 N/A PHE 158.A N ASP 155.A O no hydrogen 3.090 N/A GLU 159.A N ARG 225.A O no hydrogen 2.840 N/A GLU 161.A N THR 223.A O no hydrogen 2.874 N/A ILE 162.A N TYR 182.A O no hydrogen 3.061 N/A THR 163.A N LYS 221.A O no hydrogen 2.963 N/A ASP 164.A N VAL 180.A O no hydrogen 3.141 N/A ASP 165.A N ASP 164.A OD1 no hydrogen 2.692 N/A ASN 166.A ND2 ARG 212.A O no hydrogen 2.957 N/A PHE 169.A N VAL 99.A O no hydrogen 2.764 N/A SER 170.A N ASN 174.A O no hydrogen 2.802 N/A SER 170.A OG ASP 172.A OD1 no hydrogen 2.596 N/A SER 170.A OG ASN 174.A O no hydrogen 3.192 N/A ASN 173.A N SER 170.A O no hydrogen 3.029 N/A ASN 173.A ND2 ASN 138.A OD1 no hydrogen 2.856 N/A ASN 174.A N ASP 172.A OD1 no hydrogen 3.307 N/A LEU 175.A N ASN 174.A OD1 no hydrogen 2.888 N/A LEU 176.A N LEU 168.A O no hydrogen 2.834 N/A ASN 178.A N ASP 165.A OD1 no hydrogen 2.919 N/A GLY 179.A N ASP 165.A OD2 no hydrogen 2.826 N/A TYR 182.A N ILE 162.A O no hydrogen 2.756 N/A TYR 182.A OH ASN 166.A OD1 no hydrogen 2.737 N/A TRP 185.A N GLU 207.A O no hydrogen 2.940 N/A TRP 185.A NE1 ASN 141.A OD1 no hydrogen 2.878 N/A GLN 187.A NE2 ASP 155.A O no hydrogen 2.866 N/A GLN 187.A NE2 PHE 158.A O no hydrogen 3.069 N/A GLY 188.A N TYR 205.A O no hydrogen 3.018 N/A GLN 189.A NE2 VAL 153.A O no hydrogen 2.814 N/A ALA 190.A N VAL 203.A O no hydrogen 2.899 N/A SER 191.A OG GLU 200.A OE2 no hydrogen 2.858 N/A ALA 192.A N VAL 201.A O no hydrogen 2.779 N/A THR 195.A N ARG 199.A O no hydrogen 2.777 N/A THR 195.A OG1 ARG 199.A O no hydrogen 3.498 N/A GLU 197.A N THR 195.A OG1 no hydrogen 3.390 N/A GLY 198.A N THR 195.A O no hydrogen 2.832 N/A ARG 199.A N THR 195.A OG1 no hydrogen 3.341 N/A ARG 199.A NH1 GLU 151.A OE1 no hydrogen 3.251 N/A ARG 199.A NH2 GLU 151.A OE1 no hydrogen 2.799 N/A VAL 201.A N GLY 193.A O no hydrogen 2.753 N/A VAL 203.A N ALA 190.A O no hydrogen 2.848 N/A ALA 204.A N LEU 146.A O no hydrogen 2.994 N/A TYR 205.A N GLY 188.A O no hydrogen 2.848 N/A ALA 206.A N VAL 144.A O no hydrogen 2.923 N/A GLU 207.A N ALA 186.A O no hydrogen 2.794 N/A LEU 208.A N ILE 142.A O no hydrogen 2.776 N/A THR 210.A N ASN 140.A O no hydrogen 2.926 N/A THR 210.A OG1 SER 211.A O no hydrogen 3.003 N/A SER 211.A N TYR 182.A OH no hydrogen 3.097 N/A SER 211.A OG ASN 166.A O no hydrogen 2.715 N/A ARG 212.A N SER 211.A OG no hydrogen 2.787 N/A ARG 212.A NE ASP 258.A OD1 no hydrogen 2.903 N/A ARG 212.A NH1 ASN 173.A O no hydrogen 2.897 N/A ARG 212.A NH2 ASP 258.A OD1 no hydrogen 3.284 N/A ARG 212.A NH2 ASP 258.A OD2 no hydrogen 2.919 N/A VAL 214.A N GLN 254.A OE1 no hydrogen 3.162 N/A ARG 215.A NH2 ASP 164.A OD1 no hydrogen 2.812 N/A ARG 215.A NH2 ASP 165.A O no hydrogen 2.748 N/A LYS 221.A N THR 163.A O no hydrogen 2.947 N/A LYS 221.A NZ.A SER 219.A O no hydrogen 3.436 N/A LEU 222.A N ILE 236.A O no hydrogen 3.015 N/A THR 223.A N GLU 161.A O no hydrogen 2.793 N/A THR 223.A OG1 ASN 235.A OD1 no hydrogen 2.966 N/A VAL 224.A N ILE 234.A O no hydrogen 2.785 N/A ARG 225.A N GLU 159.A O no hydrogen 2.870 N/A ARG 225.A NE GLU 159.A OE1 no hydrogen 3.355 N/A ARG 225.A NH1 GLU 161.A OE1 no hydrogen 3.350 N/A ARG 225.A NH1 GLU 232.A OE2 no hydrogen 3.252 N/A ARG 225.A NH2 GLU 159.A OE1 no hydrogen 2.994 N/A ARG 225.A NH2 GLU 161.A OE1 no hydrogen 3.317 N/A ARG 225.A NH2 GLU 161.A OE2 no hydrogen 2.755 N/A ARG 226.A N VAL 231.A O no hydrogen 2.760 N/A ARG 226.A NE ASP 229.A OD1 no hydrogen 3.169 N/A ARG 226.A NE ASP 229.A OD2 no hydrogen 3.287 N/A ARG 226.A NH1 LEU 272.A O no hydrogen 3.378 N/A ARG 226.A NH2 ASP 229.A OD2 no hydrogen 3.218 N/A LYS 227.A N LYS 157.A O no hydrogen 2.880 N/A LYS 227.A NZ LYS 156.A O no hydrogen 2.970 N/A VAL 231.A N ASP 229.A OD1 no hydrogen 3.327 N/A ILE 234.A N VAL 224.A O no hydrogen 3.319 N/A ILE 236.A N LEU 222.A O no hydrogen 3.016 N/A LEU 238.A N PRO 220.A O no hydrogen 2.976 N/A TYR 241.A N PRO 237.A O no hydrogen 3.255 N/A LEU 242.A N LEU 238.A O no hydrogen 3.098 N/A LEU 243.A N ILE 239.A O no hydrogen 2.942 N/A LYS 245.A NZ SER 253.A OG no hydrogen 2.939 N/A SER 246.A N LEU 243.A O no hydrogen 2.948 N/A SER 246.A OG LEU 243.A O no hydrogen 3.052 N/A LEU 248.A N LEU 244.A O no hydrogen 2.938 N/A TYR 249.A N LYS 245.A O no hydrogen 2.685 N/A GLN 254.A NE2 LEU 213.A O no hydrogen 2.921 N/A GLN 254.A NE2 ASP 258.A OD1 no hydrogen 3.033 N/A GLN 254.A NE2 ASP 258.A OD2 no hydrogen 3.556 N/A GLU 255.A N ASP 252.A OD2 no hydrogen 3.268 N/A PHE 256.A N ASP 252.A O no hydrogen 3.027 N/A LEU 257.A N SER 253.A O no hydrogen 3.032 N/A ASP 258.A N GLN 254.A O no hydrogen 2.805 N/A ARG 259.A N GLU 255.A O no hydrogen 2.649 N/A ARG 259.A NE GLU 255.A OE2 no hydrogen 2.615 N/A ARG 259.A NH1 ASP 16.A O no hydrogen 3.308 N/A ARG 259.A NH1 ASN 18.A O no hydrogen 2.849 N/A ARG 259.A NH2 GLU 255.A OE2 no hydrogen 3.078 N/A GLU 260.A N PHE 256.A O no hydrogen 3.125 N/A SER 261.A N GLU 260.A OE2 no hydrogen 3.043 N/A GLU 262.A N GLU 260.A OE2 no hydrogen 3.071 N/A TRP 263.A N ASN 141.A O no hydrogen 2.802 N/A TRP 263.A NE1 ASN 140.A OD1 no hydrogen 2.946 N/A SER 264.A N ASN 282.A OD1 no hydrogen 2.903 N/A PHE 266.A N VAL 145.A O no hydrogen 2.824 N/A LEU 268.A N GLN 147.A O no hydrogen 2.817 N/A SER 269.A N GLU 273.A O no hydrogen 2.999 N/A SER 269.A OG ASN 271.A OD1 no hydrogen 2.316 N/A SER 269.A OG GLU 273.A O no hydrogen 3.082 N/A LEU 272.A N SER 269.A O no hydrogen 2.778 N/A ILE 275.A N PHE 267.A O no hydrogen 2.899 N/A THR 277.A N ILE 275.A O no hydrogen 2.881 N/A ILE 279.A N VAL 286.A O no hydrogen 3.006 N/A LYS 280.A N ILE 265.A O no hydrogen 3.089 N/A ILE 281.A N TRP 284.A O no hydrogen 2.821 N/A ASN 282.A N SER 264.A O no hydrogen 2.924 N/A TRP 284.A N ILE 281.A O no hydrogen 2.791 N/A TRP 284.A NE1 ASP 247.A OD2 no hydrogen 2.935 N/A VAL 286.A N ILE 279.A O no hydrogen 2.811 N/A ILE 288.A N THR 277.A O no hydrogen 2.880 N/A