Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8au3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLU 99.A O no hydrogen 3.015 N/A ALA 6.A N ASP 3.A OD1 no hydrogen 2.791 N/A LEU 11.A N ASN 8.A OD1 no hydrogen 2.904 N/A VAL 12.A N ASN 8.A O no hydrogen 2.852 N/A GLN 13.A N PRO 9.A O no hydrogen 2.907 N/A ALA 14.A N GLU 10.A O no hydrogen 3.278 N/A VAL 15.A N LEU 11.A O no hydrogen 3.165 N/A VAL 15.A N VAL 12.A O no hydrogen 3.210 N/A GLN 16.A N GLN 13.A O no hydrogen 3.324 N/A VAL 18.A N VAL 15.A O no hydrogen 2.699 N/A VAL 19.A N GLN 16.A O no hydrogen 3.234 N/A ILE 20.A N ILE 94.A O no hydrogen 2.714 N/A SER 24.A N GLY 21.A O no hydrogen 2.970 N/A LEU 25.A N PRO 22.A O no hydrogen 3.435 N/A ILE 26.A N THR 45.A O no hydrogen 2.953 N/A HIS 28.A N HIS 43.A O no hydrogen 2.773 N/A HIS 28.A NE2 THR 45.A OG1 no hydrogen 3.243 N/A GLU 31.A N HIS 28.A O no hydrogen 3.161 N/A ILE 33.A N VAL 41.A O no hydrogen 2.824 N/A GLY 34.A N VAL 41.A O no hydrogen 3.266 N/A GLY 36.A N GLY 39.A O no hydrogen 3.063 N/A PHE 38.A N ASP 177.A OD1 no hydrogen 3.044 N/A GLY 39.A N ASP 177.A OD2 no hydrogen 3.264 N/A VAL 41.A N GLY 34.A O no hydrogen 2.943 N/A TYR 42.A N VAL 58.A O no hydrogen 2.735 N/A HIS 43.A N GLU 31.A O no hydrogen 3.373 N/A HIS 43.A NE2 TYR 108.A OH no hydrogen 3.371 N/A GLY 44.A N CYS 56.A O no hydrogen 2.835 N/A THR 45.A N ILE 26.A O no hydrogen 2.773 N/A THR 45.A OG1 HIS 28.A NE2 no hydrogen 3.243 N/A LEU 46.A N ILE 54.A O no hydrogen 2.769 N/A LEU 47.A N SER 24.A O no hydrogen 3.161 N/A ASP 48.A N LYS 52.A O no hydrogen 3.325 N/A GLY 51.A N ASP 48.A O no hydrogen 2.707 N/A LYS 52.A N ASP 48.A OD1 no hydrogen 2.941 N/A ILE 54.A N LEU 46.A O no hydrogen 2.764 N/A CYS 56.A N GLY 44.A O no hydrogen 3.009 N/A ALA 57.A N LEU 106.A O no hydrogen 2.761 N/A VAL 58.A N TYR 42.A O no hydrogen 2.787 N/A LYS 59.A N VAL 104.A O no hydrogen 2.877 N/A LYS 59.A NZ GLY 39.A O no hydrogen 2.879 N/A LYS 59.A NZ ASP 177.A OD2 no hydrogen 2.722 N/A SER 60.A N CYS 40.A O no hydrogen 3.088 N/A LEU 61.A N PRO 102.A O no hydrogen 3.173 N/A ARG 63.A NH1 HIS 37.A O no hydrogen 2.792 N/A THR 65.A N GLU 69.A OE1 no hydrogen 2.951 N/A THR 65.A OG1 ARG 63.A O no hydrogen 2.790 N/A ASP 66.A N GLU 69.A OE1 no hydrogen 3.402 N/A GLU 69.A N ASP 66.A OD1 no hydrogen 3.210 N/A VAL 70.A N ASP 66.A O no hydrogen 3.097 N/A SER 71.A N ILE 67.A O no hydrogen 2.821 N/A SER 71.A OG ILE 67.A O no hydrogen 2.693 N/A GLN 72.A N GLY 68.A O no hydrogen 2.916 N/A PHE 73.A N GLU 69.A O no hydrogen 2.977 N/A LEU 74.A N VAL 70.A O no hydrogen 3.242 N/A THR 75.A N SER 71.A O no hydrogen 3.088 N/A THR 75.A OG1 SER 71.A O no hydrogen 3.220 N/A GLU 76.A N GLN 72.A O no hydrogen 3.097 N/A GLY 77.A N PHE 73.A O no hydrogen 3.069 N/A ILE 78.A N LEU 74.A O no hydrogen 2.943 N/A ILE 79.A N THR 75.A O no hydrogen 3.035 N/A MET 80.A N GLU 76.A O no hydrogen 3.005 N/A LYS 81.A N GLY 77.A O no hydrogen 3.240 N/A LYS 81.A NZ LEU 91.A O no hydrogen 3.476 N/A LYS 81.A NZ LEU 92.A O no hydrogen 3.213 N/A ASP 82.A N ILE 78.A O no hydrogen 3.444 N/A PHE 83.A N MET 80.A O no hydrogen 3.282 N/A SER 84.A N TYR 143.A OH no hydrogen 3.066 N/A ASN 87.A N HIS 85.A ND1 no hydrogen 3.262 N/A ASN 87.A ND2 GLN 136.A OE1 no hydrogen 3.125 N/A ASN 87.A ND2 VAL 167.A O no hydrogen 3.063 N/A VAL 88.A N HIS 85.A O no hydrogen 3.101 N/A LEU 89.A N VAL 169.A O no hydrogen 2.906 N/A LEU 92.A N VAL 105.A O no hydrogen 3.085 N/A GLY 93.A N VAL 105.A O no hydrogen 3.197 N/A ILE 94.A N VAL 18.A O no hydrogen 3.108 N/A CYS 95.A N LEU 103.A O no hydrogen 2.886 N/A CYS 95.A SG ILE 20.A O no hydrogen 3.558 N/A ARG 97.A NE SER 101.A O no hydrogen 2.964 N/A ARG 97.A NH2 SER 101.A O no hydrogen 2.974 N/A LEU 103.A N CYS 95.A O no hydrogen 3.094 N/A VAL 104.A N LYS 59.A O no hydrogen 2.846 N/A VAL 105.A N GLY 93.A O no hydrogen 2.755 N/A LEU 106.A N ALA 57.A O no hydrogen 2.759 N/A TYR 108.A OH HIS 43.A NE2 no hydrogen 3.371 N/A HIS 111.A N LEU 161.A O no hydrogen 3.019 N/A GLY 112.A N MET 109.A O no hydrogen 3.055 N/A LEU 114.A N CYS 159.A O no hydrogen 2.718 N/A ASN 116.A N ASP 113.A OD2 no hydrogen 3.076 N/A ASN 116.A ND2 ASP 113.A OD1 no hydrogen 2.730 N/A PHE 117.A N ASP 113.A O no hydrogen 3.149 N/A ILE 118.A N LEU 114.A O no hydrogen 3.050 N/A ARG 119.A N ARG 115.A O no hydrogen 2.944 N/A ARG 119.A NH1 GLY 216.A O no hydrogen 2.887 N/A ASN 120.A N ASN 116.A O no hydrogen 3.176 N/A ASN 120.A N PHE 117.A O no hydrogen 3.376 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.905 N/A THR 122.A N ASN 120.A OD1 no hydrogen 3.390 N/A THR 122.A OG1 ASN 120.A OD1 no hydrogen 3.408 N/A HIS 123.A N ASN 120.A O no hydrogen 3.331 N/A ASN 124.A N TYR 285.A OH no hydrogen 3.289 N/A THR 126.A N ASP 129.A OD2 no hydrogen 2.959 N/A THR 126.A OG1 ASP 129.A OD2 no hydrogen 3.039 N/A THR 126.A OG1 GLY 282.A O no hydrogen 2.771 N/A LYS 128.A NZ PHE 277.A O no hydrogen 3.422 N/A LYS 128.A NZ PHE 280.A O no hydrogen 3.025 N/A ASP 129.A N THR 126.A OG1 no hydrogen 3.164 N/A LEU 130.A N THR 126.A O no hydrogen 3.102 N/A ILE 131.A N VAL 127.A O no hydrogen 3.050 N/A GLY 132.A N LYS 128.A O no hydrogen 2.852 N/A PHE 133.A N ASP 129.A O no hydrogen 2.920 N/A GLY 134.A N LEU 130.A O no hydrogen 3.110 N/A LEU 135.A N ILE 131.A O no hydrogen 2.825 N/A GLN 136.A N GLY 132.A O no hydrogen 2.998 N/A GLN 136.A NE2 GLY 132.A O no hydrogen 3.591 N/A VAL 137.A N PHE 133.A O no hydrogen 3.088 N/A ALA 138.A N GLY 134.A O no hydrogen 3.019 N/A LYS 139.A N LEU 135.A O no hydrogen 3.140 N/A GLY 140.A N GLN 136.A O no hydrogen 3.171 N/A MET 141.A N VAL 137.A O no hydrogen 2.980 N/A LYS 142.A N ALA 138.A O no hydrogen 2.799 N/A TYR 143.A N LYS 139.A O no hydrogen 3.097 N/A LEU 144.A N GLY 140.A O no hydrogen 2.924 N/A ALA 145.A N MET 141.A O no hydrogen 2.868 N/A SER 146.A N LYS 142.A O no hydrogen 3.031 N/A SER 146.A OG TYR 143.A O no hydrogen 2.566 N/A LYS 147.A N TYR 143.A O no hydrogen 3.058 N/A LYS 148.A N ALA 145.A O no hydrogen 3.063 N/A PHE 149.A N LEU 144.A O no hydrogen 2.999 N/A HIS 151.A N ASP 201.A OD2 no hydrogen 2.858 N/A HIS 151.A NE2 ALA 170.A O no hydrogen 2.784 N/A ARG 152.A N ASP 201.A OD1 no hydrogen 2.965 N/A ALA 156.A N GLU 211.A OE1 no hydrogen 2.960 N/A ASN 158.A N ALA 155.A O no hydrogen 3.058 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.601 N/A CYS 159.A N ALA 156.A O no hydrogen 3.306 N/A CYS 159.A SG ALA 155.A O no hydrogen 3.669 N/A MET 160.A N LYS 168.A O no hydrogen 2.897 N/A LEU 161.A N GLY 112.A O no hydrogen 2.926 N/A ASP 162.A N THR 166.A O no hydrogen 3.099 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 3.108 N/A PHE 165.A N ASP 162.A O no hydrogen 2.866 N/A THR 166.A N ASP 162.A OD1 no hydrogen 2.867 N/A THR 166.A OG1 ASP 162.A OD1 no hydrogen 3.399 N/A VAL 167.A N GLN 136.A OE1 no hydrogen 2.924 N/A LYS 168.A N MET 160.A O no hydrogen 2.765 N/A LYS 168.A NZ PRO 86.A O no hydrogen 2.635 N/A VAL 169.A N ASN 87.A O no hydrogen 2.981 N/A ALA 170.A N ASN 158.A O no hydrogen 3.159 N/A ALA 175.A N PHE 172.A O no hydrogen 3.088 N/A ARG 176.A N GLY 173.A O no hydrogen 3.233 N/A ARG 176.A NE ASP 171.A O no hydrogen 3.062 N/A ARG 176.A NH1 HIS 151.A O no hydrogen 3.406 N/A ARG 176.A NH2 HIS 151.A O no hydrogen 2.660 N/A ARG 176.A NH2 ASP 171.A O no hydrogen 2.903 N/A ASP 177.A N ASP 171.A OD1 no hydrogen 2.851 N/A MET 178.A N ASP 177.A OD1 no hydrogen 2.880 N/A TYR 179.A OH ALA 175.A O no hydrogen 2.662 N/A ASP 180.A N ARG 35.A O no hydrogen 2.887 N/A LYS 184.A NZ TYR 220.A O no hydrogen 2.776 N/A LYS 184.A NZ VAL 223.A O no hydrogen 2.887 N/A TRP 185.A N PRO 182.A O no hydrogen 2.880 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 2.810 N/A MET 186.A N VAL 183.A O no hydrogen 3.194 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.939 N/A SER 190.A OG LYS 195.A O no hydrogen 2.761 N/A LEU 191.A N ALA 187.A O no hydrogen 2.964 N/A GLN 192.A NE2 LEU 188.A O no hydrogen 3.044 N/A THR 193.A N GLU 189.A O no hydrogen 2.877 N/A THR 193.A OG1 GLU 189.A O no hydrogen 2.565 N/A GLN 194.A N SER 190.A O no hydrogen 2.883 N/A THR 197.A N SER 200.A OG no hydrogen 2.861 N/A LYS 199.A NZ ARG 263.A O no hydrogen 2.859 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.333 N/A SER 200.A OG THR 197.A O no hydrogen 2.638 N/A ASP 201.A N THR 197.A O no hydrogen 3.174 N/A VAL 202.A N THR 198.A O no hydrogen 3.064 N/A TRP 203.A N LYS 199.A O no hydrogen 3.362 N/A SER 204.A N SER 200.A O no hydrogen 3.230 N/A SER 204.A OG TRP 185.A O no hydrogen 2.566 N/A SER 204.A OG SER 200.A O no hydrogen 3.392 N/A PHE 205.A N ASP 201.A O no hydrogen 2.805 N/A GLY 206.A N VAL 202.A O no hydrogen 3.002 N/A VAL 207.A N TRP 203.A O no hydrogen 3.236 N/A LEU 208.A N SER 204.A O no hydrogen 2.950 N/A LEU 209.A N PHE 205.A O no hydrogen 2.868 N/A TRP 210.A N GLY 206.A O no hydrogen 3.131 N/A TRP 210.A NE1 LEU 239.A O no hydrogen 2.720 N/A GLU 211.A N VAL 207.A O no hydrogen 2.895 N/A LEU 212.A N LEU 208.A O no hydrogen 2.980 N/A MET 213.A N LEU 209.A O no hydrogen 2.922 N/A THR 214.A N TRP 210.A O no hydrogen 2.974 N/A THR 214.A OG1 TRP 210.A O no hydrogen 2.724 N/A THR 214.A OG1 GLU 211.A O no hydrogen 2.969 N/A ARG 215.A N LEU 212.A O no hydrogen 3.091 N/A ARG 215.A NH1 ASN 120.A O no hydrogen 3.389 N/A ARG 215.A NH1 HIS 123.A O no hydrogen 3.012 N/A GLY 216.A N GLU 211.A O no hydrogen 2.726 N/A ALA 217.A N THR 214.A OG1 no hydrogen 3.292 N/A VAL 223.A N TYR 220.A O no hydrogen 3.123 N/A ASP 227.A N ASN 224.A O no hydrogen 3.263 N/A TYR 231.A N ASP 227.A O no hydrogen 3.148 N/A LEU 232.A N ILE 228.A O no hydrogen 3.046 N/A LEU 233.A N THR 229.A O no hydrogen 2.941 N/A GLN 234.A N VAL 230.A O no hydrogen 3.163 N/A GLN 234.A N TYR 231.A O no hydrogen 3.243 N/A GLY 235.A N LEU 232.A O no hydrogen 2.906 N/A ARG 236.A N TYR 231.A O no hydrogen 3.293 N/A ARG 237.A NE TRP 256.A O no hydrogen 3.134 N/A ARG 237.A NH1 LEU 232.A O no hydrogen 2.932 N/A ARG 237.A NH1 ARG 236.A O no hydrogen 3.160 N/A ARG 237.A NH2 TRP 256.A O no hydrogen 2.890 N/A GLN 240.A NE2 CYS 244.A O no hydrogen 2.840 N/A GLN 240.A NE2 ASP 246.A OD1 no hydrogen 2.837 N/A CYS 244.A N PRO 241.A O no hydrogen 3.197 N/A CYS 244.A SG PRO 245.A O no hydrogen 3.475 N/A LEU 248.A N PRO 245.A O no hydrogen 3.137 N/A TYR 249.A N PRO 245.A O no hydrogen 3.054 N/A TYR 249.A OH LEU 238.A O no hydrogen 2.528 N/A GLU 250.A N ASP 246.A O no hydrogen 2.952 N/A VAL 251.A N PRO 247.A O no hydrogen 3.307 N/A MET 252.A N LEU 248.A O no hydrogen 3.090 N/A LEU 253.A N TYR 249.A O no hydrogen 3.003 N/A LYS 254.A N GLU 250.A O no hydrogen 3.020 N/A CYS 255.A N VAL 251.A O no hydrogen 3.066 N/A CYS 255.A SG VAL 251.A O no hydrogen 3.428 N/A TRP 256.A N MET 252.A O no hydrogen 3.158 N/A TRP 256.A N LEU 253.A O no hydrogen 3.143 N/A HIS 257.A N LYS 254.A O no hydrogen 3.428 N/A HIS 257.A ND1 LYS 259.A O no hydrogen 3.172 N/A MET 262.A N LYS 259.A O no hydrogen 3.327 N/A ARG 263.A N ALA 260.A O no hydrogen 3.182 N/A ARG 263.A NE HIS 257.A O no hydrogen 2.741 N/A ARG 263.A NH1 GLU 189.A OE1 no hydrogen 3.278 N/A ARG 263.A NH1 GLU 189.A OE2 no hydrogen 2.995 N/A ARG 263.A NH1 LYS 199.A O no hydrogen 3.036 N/A ARG 263.A NH2 GLU 189.A OE1 no hydrogen 2.754 N/A ARG 263.A NH2 HIS 257.A O no hydrogen 2.926 N/A SER 265.A OG GLU 268.A OE2 no hydrogen 3.349 N/A GLU 268.A N SER 265.A OG no hydrogen 3.071 N/A LEU 269.A N SER 265.A O no hydrogen 3.013 N/A VAL 270.A N PHE 266.A O no hydrogen 2.969 N/A SER 271.A N SER 267.A O no hydrogen 3.358 N/A SER 271.A OG SER 267.A O no hydrogen 3.342 N/A ARG 272.A N GLU 268.A O no hydrogen 2.998 N/A ILE 273.A N LEU 269.A O no hydrogen 2.856 N/A SER 274.A N VAL 270.A O no hydrogen 2.978 N/A SER 274.A OG VAL 270.A O no hydrogen 2.708 N/A SER 274.A OG SER 271.A O no hydrogen 3.054 N/A ALA 275.A N SER 271.A O no hydrogen 3.075 N/A ILE 276.A N ARG 272.A O no hydrogen 3.108 N/A PHE 277.A N ILE 273.A O no hydrogen 2.752 N/A SER 278.A N SER 274.A O no hydrogen 2.917 N/A SER 278.A OG SER 274.A O no hydrogen 2.655 N/A THR 279.A N ILE 276.A O no hydrogen 3.170 N/A THR 279.A OG1 ILE 276.A O no hydrogen 2.686 N/A HIS 284.A N ASP 129.A OD2 no hydrogen 2.799 N/A TYR 285.A N ASP 129.A OD1 no hydrogen 3.115 N/A TYR 285.A OH ASN 124.A OD1 no hydrogen 3.304 N/A