Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wjl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG VAL 103.A O no hydrogen 2.600 N/A HIS 3.A N VAL 103.A O no hydrogen 2.824 N/A HIS 3.A ND1 ASP 29.A OD1 no hydrogen 3.188 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.800 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.152 N/A MET 5.A N CYS 101.A O no hydrogen 2.970 N/A ARG 6.A N TYR 27.A O no hydrogen 2.848 N/A ARG 6.A NE MET 5.A O no hydrogen 3.366 N/A TYR 7.A N TYR 99.A O no hydrogen 2.778 N/A PHE 8.A N VAL 25.A O no hydrogen 2.917 N/A TYR 9.A N ILE 97.A O no hydrogen 3.014 N/A THR 10.A N ILE 23.A O no hydrogen 2.704 N/A SER 11.A N ILE 95.A O no hydrogen 2.770 N/A SER 11.A OG ASP 74.A OD2 no hydrogen 2.948 N/A VAL 12.A N ARG 21.A O no hydrogen 2.797 N/A SER 13.A N HIS 93.A O no hydrogen 2.887 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.612 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.236 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.342 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.601 N/A ARG 17.A N ARG 14.A O no hydrogen 3.063 N/A ARG 21.A N VAL 12.A O no hydrogen 2.796 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.787 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 2.783 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.550 N/A ILE 23.A N THR 10.A O no hydrogen 2.958 N/A ALA 24.A N PHE 36.A O no hydrogen 2.974 N/A VAL 25.A N PHE 8.A O no hydrogen 2.981 N/A GLY 26.A N VAL 34.A O no hydrogen 3.112 N/A TYR 27.A N ARG 6.A O no hydrogen 2.787 N/A VAL 28.A N THR 31.A O no hydrogen 2.910 N/A ASP 29.A N SER 4.A O no hydrogen 2.778 N/A THR 31.A N VAL 28.A O no hydrogen 2.836 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 3.232 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.379 N/A PHE 33.A N GLY 26.A O no hydrogen 2.702 N/A ARG 35.A N GLU 46.A O no hydrogen 3.016 N/A SER 38.A N PHE 22.A O no hydrogen 2.743 N/A SER 38.A OG PRO 20.A O no hydrogen 3.403 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.079 N/A GLN 43.A NE2 SER 38.A O no hydrogen 2.707 N/A GLN 43.A NE2 ALA 40.A O no hydrogen 2.872 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 2.571 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 3.322 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.995 N/A GLU 46.A N ARG 35.A O no hydrogen 2.902 N/A ARG 48.A N PHE 33.A O no hydrogen 2.612 N/A GLU 53.A N PRO 50.A O no hydrogen 2.974 N/A GLU 55.A N ILE 52.A O no hydrogen 2.919 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.543 N/A TRP 60.A N GLY 56.A O no hydrogen 3.329 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.654 N/A ASP 61.A N PRO 57.A O no hydrogen 2.958 N/A GLN 62.A N GLU 58.A O no hydrogen 3.369 N/A GLU 63.A N TYR 59.A O no hydrogen 3.026 N/A THR 64.A N TRP 60.A O no hydrogen 3.107 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.552 N/A ARG 65.A N ASP 61.A O no hydrogen 2.847 N/A ASN 66.A N GLN 62.A O no hydrogen 2.973 N/A VAL 67.A N GLU 63.A O no hydrogen 3.065 N/A LYS 68.A N THR 64.A O no hydrogen 3.017 N/A LYS 68.A NZ GLN 43.A O no hydrogen 3.276 N/A ALA 69.A N ARG 65.A O no hydrogen 2.931 N/A GLN 70.A N ASN 66.A O no hydrogen 2.992 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 3.427 N/A GLN 70.A NE2 ASP 74.A OD1 no hydrogen 2.791 N/A SER 71.A N VAL 67.A O no hydrogen 2.800 N/A SER 71.A OG LYS 68.A O no hydrogen 3.083 N/A GLN 72.A N LYS 68.A O no hydrogen 2.749 N/A THR 73.A N ALA 69.A O no hydrogen 2.977 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.368 N/A ASP 74.A N GLN 70.A O no hydrogen 2.861 N/A ARG 75.A N SER 71.A O no hydrogen 3.003 N/A VAL 76.A N GLN 72.A O no hydrogen 3.292 N/A ASP 77.A N THR 73.A O no hydrogen 2.897 N/A LEU 78.A N ASP 74.A O no hydrogen 2.740 N/A GLY 79.A N VAL 76.A O no hydrogen 2.934 N/A THR 80.A N VAL 76.A O no hydrogen 3.087 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.242 N/A LEU 81.A N ASP 77.A O no hydrogen 2.820 N/A ARG 82.A N LEU 78.A O no hydrogen 3.319 N/A ARG 82.A NH1 GLN 87.A O no hydrogen 3.109 N/A GLY 83.A N GLY 79.A O no hydrogen 3.058 N/A TYR 84.A N THR 80.A O no hydrogen 2.920 N/A TYR 85.A N LEU 81.A O no hydrogen 3.100 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.788 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.764 N/A GLN 87.A N ARG 82.A O no hydrogen 2.967 N/A SER 88.A OG ASP 90.A OD2 no hydrogen 2.678 N/A ASP 90.A N SER 88.A OG no hydrogen 3.213 N/A SER 92.A OG SER 13.A O no hydrogen 2.884 N/A HIS 93.A N SER 13.A OG no hydrogen 2.630 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.929 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.965 N/A ILE 95.A N SER 11.A O no hydrogen 2.786 N/A GLN 96.A N ALA 117.A O no hydrogen 2.956 N/A ILE 97.A N TYR 9.A O no hydrogen 3.323 N/A MET 98.A N GLN 115.A O no hydrogen 2.871 N/A TYR 99.A N TYR 7.A O no hydrogen 3.143 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.680 N/A GLY 100.A N TYR 113.A O no hydrogen 3.159 N/A CYS 101.A N MET 5.A O no hydrogen 2.923 N/A ASP 102.A N ARG 111.A O no hydrogen 3.207 N/A VAL 103.A N HIS 3.A O no hydrogen 2.691 N/A GLY 104.A N ARG 108.A O no hydrogen 3.023 N/A GLY 107.A N GLY 104.A O no hydrogen 2.887 N/A ARG 108.A N ASP 106.A OD2 no hydrogen 2.896 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.113 N/A GLN 115.A N MET 98.A O no hydrogen 2.990 N/A ASP 116.A N ILE 124.A O no hydrogen 2.909 N/A ALA 117.A N GLN 96.A O no hydrogen 2.851 N/A TYR 118.A N LYS 121.A O no hydrogen 3.124 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.911 N/A ASP 119.A N THR 94.A O no hydrogen 2.845 N/A LYS 121.A N TYR 118.A O no hydrogen 3.362 N/A TYR 123.A N ASP 116.A O no hydrogen 2.806 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.841 N/A ILE 124.A N ASP 116.A O no hydrogen 3.417 N/A ALA 125.A N THR 134.A O no hydrogen 2.967 N/A LEU 126.A N ARG 114.A O no hydrogen 2.859 N/A ASN 127.A N SER 132.A O no hydrogen 2.853 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.746 N/A LEU 130.A N ASN 127.A O no hydrogen 3.009 N/A ARG 131.A N ASP 129.A OD2 no hydrogen 2.795 N/A ARG 131.A NH1 ASP 129.A O no hydrogen 2.994 N/A SER 132.A N ASP 129.A OD2 no hydrogen 2.825 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.823 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.774 N/A THR 134.A N ALA 125.A O no hydrogen 2.687 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.542 N/A ALA 136.A N TYR 123.A O no hydrogen 2.887 N/A ALA 139.A N ASP 137.A OD1 no hydrogen 3.184 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.115 N/A GLN 141.A N ASP 137.A O no hydrogen 2.967 N/A ILE 142.A N ALA 139.A O no hydrogen 2.960 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.841 N/A LYS 144.A N ALA 140.A O no hydrogen 2.899 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 3.084 N/A ARG 145.A N GLN 141.A O no hydrogen 2.767 N/A LYS 146.A N ILE 142.A O no hydrogen 2.994 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.938 N/A TRP 147.A N THR 143.A O no hydrogen 2.904 N/A GLU 148.A N LYS 144.A O no hydrogen 2.767 N/A ALA 149.A N ARG 145.A O no hydrogen 3.185 N/A ALA 150.A N LYS 146.A O no hydrogen 3.070 N/A HIS 151.A N GLU 148.A O no hydrogen 3.153 N/A ALA 152.A N TRP 147.A O no hydrogen 2.929 N/A GLN 155.A NE2 ALA 150.A O no hydrogen 3.675 N/A GLN 156.A N ALA 152.A O no hydrogen 2.823 N/A ARG 157.A N ALA 153.A O no hydrogen 2.873 N/A ALA 158.A N GLU 154.A O no hydrogen 3.006 N/A TYR 159.A N GLN 155.A O no hydrogen 3.329 N/A LEU 160.A N GLN 156.A O no hydrogen 2.816 N/A GLU 161.A N ARG 157.A O no hydrogen 2.525 N/A GLY 162.A N ALA 158.A O no hydrogen 3.062 N/A CYS 164.A N TYR 159.A O no hydrogen 2.797 N/A GLU 166.A N GLY 162.A O no hydrogen 3.069 N/A TRP 167.A N ARG 163.A O no hydrogen 3.016 N/A LEU 168.A N CYS 164.A O no hydrogen 3.171 N/A ARG 169.A N VAL 165.A O no hydrogen 2.909 N/A ARG 170.A N GLU 166.A O no hydrogen 3.363 N/A TYR 171.A N TRP 167.A O no hydrogen 2.775 N/A LEU 172.A N LEU 168.A O no hydrogen 2.903 N/A GLU 173.A N ARG 169.A O no hydrogen 3.041 N/A ASN 174.A N ARG 170.A O no hydrogen 3.012 N/A LYS 176.A N GLU 173.A O no hydrogen 3.135 N/A LYS 176.A NZ GLU 173.A OE1 no hydrogen 3.244 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 2.758 N/A THR 178.A N GLY 175.A O no hydrogen 2.993 N/A LEU 179.A N GLY 175.A O no hydrogen 2.810 N/A GLN 180.A N LYS 176.A O no hydrogen 2.733 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 3.267 N/A ARG 181.A NE THR 178.A O no hydrogen 2.849 N/A ARG 181.A NH1 ASP 183.A OD2 no hydrogen 3.123 N/A ARG 181.A NH1 GLY 239.A O no hydrogen 3.355 N/A ARG 181.A NH2 GLY 239.A O no hydrogen 3.567 N/A ASP 183.A N TYR 209.A O no hydrogen 2.715 N/A LYS 186.A N LEU 206.A O no hydrogen 2.834 N/A HIS 188.A N TRP 204.A O no hydrogen 3.127 N/A THR 190.A N ARG 202.A O no hydrogen 2.992 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.478 N/A HIS 192.A N THR 200.A O no hydrogen 2.758 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.478 N/A SER 195.A OG ILE 194.A O no hydrogen 2.939 N/A HIS 197.A ND1 ASP 196.A OD2 no hydrogen 3.191 N/A THR 200.A N HIS 192.A O no hydrogen 2.733 N/A LEU 201.A N VAL 247.A O no hydrogen 2.700 N/A ARG 202.A N THR 190.A O no hydrogen 2.773 N/A CYS 203.A N ALA 245.A O no hydrogen 2.771 N/A CYS 203.A SG HIS 188.A O no hydrogen 3.938 N/A TRP 204.A N HIS 188.A O no hydrogen 3.307 N/A ALA 205.A N LYS 243.A O no hydrogen 2.871 N/A LEU 206.A N LYS 186.A O no hydrogen 3.200 N/A PHE 208.A N PHE 241.A O no hydrogen 3.332 N/A TYR 209.A N ASP 183.A O no hydrogen 2.902 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 3.232 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.735 N/A THR 214.A N GLN 262.A O no hydrogen 2.875 N/A THR 214.A OG1 GLU 212.A OE2 no hydrogen 3.365 N/A THR 216.A N HIS 260.A O no hydrogen 3.075 N/A THR 216.A OG1 HIS 260.A O no hydrogen 2.950 N/A THR 216.A OG1 GLN 262.A OE1 no hydrogen 3.351 N/A GLN 218.A N THR 258.A O no hydrogen 2.692 N/A ARG 219.A N GLU 222.A O no hydrogen 2.868 N/A ASP 220.A N ARG 256.A O no hydrogen 3.048 N/A GLU 222.A N ARG 219.A O no hydrogen 3.374 N/A GLN 224.A N TRP 217.A O no hydrogen 2.813 N/A THR 228.A OG1 THR 225.A O no hydrogen 3.214 N/A GLU 229.A N ALA 246.A O no hydrogen 2.698 N/A VAL 231.A N TRP 244.A O no hydrogen 3.201 N/A ARG 234.A N GLN 242.A O no hydrogen 2.903 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.643 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 2.985 N/A ALA 236.A N THR 240.A O no hydrogen 2.616 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.675 N/A PHE 241.A N PHE 208.A O no hydrogen 2.808 N/A GLN 242.A N ARG 234.A O no hydrogen 2.741 N/A LYS 243.A N ALA 205.A O no hydrogen 2.921 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.091 N/A ALA 245.A N CYS 203.A O no hydrogen 2.988 N/A ALA 246.A N GLU 229.A O no hydrogen 2.670 N/A VAL 247.A N LEU 201.A O no hydrogen 2.869 N/A VAL 248.A N ASP 227.A O no hydrogen 3.350 N/A VAL 249.A N ALA 199.A O no hydrogen 3.098 N/A SER 251.A N HIS 197.A O no hydrogen 3.492 N/A SER 251.A OG GLU 198.A O no hydrogen 3.118 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.821 N/A GLU 253.A N PRO 250.A O no hydrogen 3.000 N/A ARG 256.A N GLU 253.A O no hydrogen 3.233 N/A ARG 256.A NE ASP 220.A OD2 no hydrogen 3.049 N/A THR 258.A N GLN 218.A O no hydrogen 2.678 N/A THR 258.A OG1 GLN 218.A O no hydrogen 3.261 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.902 N/A CYS 259.A N LEU 272.A O no hydrogen 3.165 N/A CYS 259.A SG THR 216.A O no hydrogen 3.928 N/A HIS 260.A N THR 216.A O no hydrogen 2.830 N/A HIS 260.A ND1 THR 271.A OG1 no hydrogen 2.802 N/A VAL 261.A N LEU 270.A O no hydrogen 3.068 N/A GLN 262.A N THR 214.A O no hydrogen 2.862 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 3.044 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.899 N/A LEU 266.A N HIS 263.A O no hydrogen 3.273 N/A LEU 270.A N VAL 261.A O no hydrogen 3.294 N/A THR 271.A OG1 HIS 260.A ND1 no hydrogen 2.802 N/A LEU 272.A N CYS 259.A O no hydrogen 2.965 N/A