Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u6i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLU 100.A OE1 no hydrogen 2.768 N/A SER 6.A OG ASP 4.A OD2 no hydrogen 2.665 N/A ALA 7.A N ASP 4.A O no hydrogen 3.343 N/A ASN 9.A ND2 GLU 11.A OE2 no hydrogen 2.684 N/A GLU 11.A N GLU 11.A OE2 no hydrogen 2.992 N/A LEU 12.A N ASN 9.A OD1 no hydrogen 2.747 N/A VAL 13.A N ASN 9.A O no hydrogen 2.845 N/A GLN 14.A N PRO 10.A O no hydrogen 2.987 N/A ALA 15.A N GLU 11.A O no hydrogen 2.881 N/A VAL 16.A N LEU 12.A O no hydrogen 2.877 N/A VAL 19.A N VAL 16.A O no hydrogen 2.857 N/A VAL 20.A N VAL 16.A O no hydrogen 3.192 N/A VAL 20.A N GLN 17.A O no hydrogen 3.250 N/A ILE 21.A N ILE 95.A O no hydrogen 2.942 N/A SER 25.A N GLY 22.A O no hydrogen 3.060 N/A LEU 26.A N GLY 22.A O no hydrogen 2.829 N/A ILE 27.A N THR 46.A O no hydrogen 2.789 N/A HIS 29.A N HIS 44.A O no hydrogen 2.829 N/A HIS 29.A NE2 THR 46.A OG1 no hydrogen 3.060 N/A GLU 32.A N HIS 29.A O no hydrogen 2.892 N/A ILE 34.A N VAL 42.A O no hydrogen 2.718 N/A CYS 41.A SG TYR 43.A OH no hydrogen 3.129 N/A CYS 41.A SG ASN 63.A OD1 no hydrogen 3.925 N/A TYR 43.A N VAL 59.A O no hydrogen 2.675 N/A HIS 44.A N GLU 32.A O no hydrogen 2.920 N/A HIS 44.A ND1 HIS 56.A NE2 no hydrogen 3.004 N/A GLY 45.A N CYS 57.A O no hydrogen 2.907 N/A THR 46.A N ILE 27.A O no hydrogen 2.780 N/A THR 46.A OG1 HIS 29.A NE2 no hydrogen 3.060 N/A LEU 47.A N ILE 55.A O no hydrogen 2.836 N/A LEU 48.A N SER 25.A O no hydrogen 2.752 N/A ASP 49.A N LYS 53.A O no hydrogen 3.093 N/A ASP 51.A N ASP 49.A OD1 no hydrogen 3.146 N/A GLY 52.A N ASP 49.A O no hydrogen 3.146 N/A LYS 53.A N ASP 49.A OD1 no hydrogen 2.965 N/A ILE 55.A N LEU 47.A O no hydrogen 2.775 N/A HIS 56.A NE2 HIS 44.A ND1 no hydrogen 3.004 N/A CYS 57.A N GLY 45.A O no hydrogen 2.984 N/A ALA 58.A N LEU 107.A O no hydrogen 2.817 N/A VAL 59.A N TYR 43.A O no hydrogen 2.732 N/A LYS 60.A N VAL 105.A O no hydrogen 2.861 N/A SER 61.A N CYS 41.A O no hydrogen 2.769 N/A LEU 62.A N PRO 103.A O no hydrogen 2.957 N/A ASN 63.A ND2 SER 102.A OG no hydrogen 2.993 N/A ILE 65.A N LEU 62.A O no hydrogen 3.336 N/A THR 66.A N GLU 70.A OE1 no hydrogen 2.939 N/A ASP 67.A N GLU 70.A OE1 no hydrogen 3.130 N/A GLU 70.A N ASP 67.A OD2 no hydrogen 3.045 N/A VAL 71.A N ASP 67.A O no hydrogen 3.201 N/A SER 72.A N ILE 68.A O no hydrogen 3.003 N/A SER 72.A OG ILE 68.A O no hydrogen 2.895 N/A GLN 73.A N GLY 69.A O no hydrogen 3.046 N/A PHE 74.A N GLU 70.A O no hydrogen 3.022 N/A LEU 75.A N VAL 71.A O no hydrogen 2.872 N/A THR 76.A N SER 72.A O no hydrogen 3.217 N/A THR 76.A OG1 SER 72.A O no hydrogen 3.087 N/A GLU 77.A N GLN 73.A O no hydrogen 3.091 N/A GLY 78.A N PHE 74.A O no hydrogen 3.078 N/A ILE 79.A N LEU 75.A O no hydrogen 2.904 N/A ILE 80.A N THR 76.A O no hydrogen 2.918 N/A MET 81.A N GLU 77.A O no hydrogen 2.970 N/A LYS 82.A N GLY 78.A O no hydrogen 3.020 N/A ASP 83.A N ILE 80.A O no hydrogen 3.262 N/A PHE 84.A N MET 81.A O no hydrogen 3.121 N/A SER 85.A N TYR 144.A OH no hydrogen 2.809 N/A ASN 88.A N HIS 86.A ND1 no hydrogen 2.976 N/A ASN 88.A ND2 GLN 137.A OE1 no hydrogen 2.961 N/A ASN 88.A ND2 VAL 168.A O no hydrogen 3.095 N/A VAL 89.A N HIS 86.A O no hydrogen 2.933 N/A LEU 90.A N VAL 170.A O no hydrogen 2.967 N/A LEU 93.A N VAL 106.A O no hydrogen 2.841 N/A GLY 94.A N VAL 106.A O no hydrogen 3.336 N/A ILE 95.A N VAL 19.A O no hydrogen 3.058 N/A CYS 96.A N LEU 104.A O no hydrogen 2.917 N/A CYS 96.A SG ILE 21.A O no hydrogen 3.446 N/A ARG 98.A NE SER 102.A O no hydrogen 2.777 N/A ARG 98.A NH2 SER 102.A O no hydrogen 3.184 N/A GLY 101.A N VAL 1.A O no hydrogen 2.797 N/A SER 102.A OG LEU 62.A O no hydrogen 3.437 N/A LEU 104.A N CYS 96.A O no hydrogen 3.066 N/A VAL 105.A N LYS 60.A O no hydrogen 2.843 N/A VAL 106.A N GLY 94.A O no hydrogen 2.825 N/A LEU 107.A N ALA 58.A O no hydrogen 2.960 N/A TYR 109.A N HIS 56.A O no hydrogen 3.242 N/A HIS 112.A N LEU 162.A O no hydrogen 3.034 N/A GLY 113.A N MET 110.A O no hydrogen 3.036 N/A LEU 115.A N CYS 160.A O no hydrogen 2.737 N/A ARG 116.A NH2 GLY 210.A O no hydrogen 3.043 N/A ASN 117.A N ASP 114.A OD2 no hydrogen 2.950 N/A PHE 118.A N ASP 114.A O no hydrogen 3.072 N/A ILE 119.A N LEU 115.A O no hydrogen 3.022 N/A ARG 120.A N ARG 116.A O no hydrogen 3.013 N/A ARG 120.A NH2 GLY 210.A O no hydrogen 2.785 N/A ASN 121.A N ASN 117.A O no hydrogen 3.019 N/A THR 123.A N ASN 121.A OD1 no hydrogen 2.888 N/A THR 123.A OG1 ASN 121.A OD1 no hydrogen 2.712 N/A HIS 124.A N ASN 121.A O no hydrogen 3.061 N/A HIS 124.A ND1 PHE 118.A O no hydrogen 2.772 N/A ASN 125.A N TYR 279.A OH no hydrogen 3.290 N/A THR 127.A N ASP 130.A OD2 no hydrogen 2.931 N/A THR 127.A OG1 GLY 276.A O no hydrogen 2.690 N/A LYS 129.A NZ PHE 271.A O no hydrogen 2.546 N/A LYS 129.A NZ PHE 274.A O no hydrogen 2.737 N/A ASP 130.A N THR 127.A OG1 no hydrogen 2.919 N/A LEU 131.A N THR 127.A O no hydrogen 3.031 N/A ILE 132.A N VAL 128.A O no hydrogen 2.961 N/A GLY 133.A N LYS 129.A O no hydrogen 2.795 N/A PHE 134.A N ASP 130.A O no hydrogen 2.930 N/A GLY 135.A N LEU 131.A O no hydrogen 3.086 N/A LEU 136.A N ILE 132.A O no hydrogen 2.817 N/A GLN 137.A N GLY 133.A O no hydrogen 3.048 N/A GLN 137.A NE2 PHE 166.A O no hydrogen 3.329 N/A VAL 138.A N PHE 134.A O no hydrogen 3.158 N/A ALA 139.A N GLY 135.A O no hydrogen 3.134 N/A LYS 140.A N LEU 136.A O no hydrogen 2.977 N/A GLY 141.A N GLN 137.A O no hydrogen 3.036 N/A MET 142.A N VAL 138.A O no hydrogen 2.806 N/A LYS 143.A N ALA 139.A O no hydrogen 2.795 N/A TYR 144.A N LYS 140.A O no hydrogen 3.218 N/A LEU 145.A N GLY 141.A O no hydrogen 3.086 N/A ALA 146.A N MET 142.A O no hydrogen 2.899 N/A SER 147.A N LYS 143.A O no hydrogen 3.132 N/A SER 147.A OG TYR 144.A O no hydrogen 2.590 N/A LYS 148.A N TYR 144.A O no hydrogen 3.162 N/A LYS 148.A N LEU 145.A O no hydrogen 3.147 N/A LYS 149.A N ALA 146.A O no hydrogen 2.888 N/A PHE 150.A N LEU 145.A O no hydrogen 2.918 N/A HIS 152.A N ASP 195.A OD2 no hydrogen 2.724 N/A HIS 152.A NE2 ALA 171.A O no hydrogen 2.843 N/A ARG 153.A N ASP 195.A OD1 no hydrogen 3.065 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.117 N/A ALA 157.A N GLU 205.A OE1 no hydrogen 3.051 N/A ARG 158.A NH1 ASP 154.A OD1 no hydrogen 3.492 N/A ASN 159.A N ALA 156.A O no hydrogen 3.012 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.623 N/A CYS 160.A N ALA 157.A O no hydrogen 3.085 N/A CYS 160.A SG ALA 156.A O no hydrogen 3.578 N/A MET 161.A N LYS 169.A O no hydrogen 2.733 N/A LEU 162.A N GLY 113.A O no hydrogen 2.883 N/A ASP 163.A N THR 167.A O no hydrogen 3.102 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.824 N/A LYS 165.A N ASP 163.A OD1 no hydrogen 2.846 N/A PHE 166.A N ASP 163.A O no hydrogen 3.038 N/A THR 167.A N ASP 163.A OD1 no hydrogen 2.907 N/A THR 167.A OG1 ASP 163.A OD1 no hydrogen 3.544 N/A THR 167.A OG1 HIS 281.A ND1 no hydrogen 2.893 N/A VAL 168.A N GLN 137.A OE1 no hydrogen 2.810 N/A LYS 169.A N MET 161.A O no hydrogen 2.829 N/A LYS 169.A NZ PRO 87.A O no hydrogen 2.755 N/A VAL 170.A N ASN 88.A O no hydrogen 2.828 N/A ALA 171.A N ASN 159.A O no hydrogen 3.047 N/A GLY 174.A N HIS 152.A O no hydrogen 2.803 N/A LYS 178.A NZ PRO 213.A O no hydrogen 3.499 N/A LYS 178.A NZ TYR 214.A O no hydrogen 2.643 N/A LYS 178.A NZ VAL 217.A O no hydrogen 2.752 N/A TRP 179.A N PRO 176.A O no hydrogen 3.125 N/A TRP 179.A NE1 GLU 205.A OE1 no hydrogen 2.820 N/A MET 180.A N VAL 177.A O no hydrogen 3.173 N/A GLU 183.A N GLU 183.A OE2 no hydrogen 2.762 N/A SER 184.A OG LYS 189.A O no hydrogen 2.593 N/A LEU 185.A N ALA 181.A O no hydrogen 3.082 N/A GLN 186.A N LEU 182.A O no hydrogen 3.156 N/A THR 187.A N GLU 183.A O no hydrogen 2.727 N/A THR 187.A OG1 GLU 183.A O no hydrogen 3.251 N/A THR 191.A N SER 194.A OG no hydrogen 2.694 N/A LYS 193.A NZ ARG 257.A O no hydrogen 2.950 N/A SER 194.A N THR 191.A OG1 no hydrogen 3.410 N/A SER 194.A OG THR 191.A O no hydrogen 2.645 N/A ASP 195.A N THR 191.A O no hydrogen 3.084 N/A VAL 196.A N THR 192.A O no hydrogen 3.037 N/A TRP 197.A N LYS 193.A O no hydrogen 3.428 N/A SER 198.A N SER 194.A O no hydrogen 3.231 N/A SER 198.A OG TRP 179.A O no hydrogen 2.645 N/A SER 198.A OG SER 194.A O no hydrogen 3.367 N/A PHE 199.A N ASP 195.A O no hydrogen 2.923 N/A GLY 200.A N VAL 196.A O no hydrogen 3.106 N/A VAL 201.A N TRP 197.A O no hydrogen 3.160 N/A LEU 202.A N SER 198.A O no hydrogen 2.861 N/A LEU 203.A N PHE 199.A O no hydrogen 2.897 N/A TRP 204.A N GLY 200.A O no hydrogen 3.177 N/A TRP 204.A NE1 LEU 233.A O no hydrogen 2.668 N/A GLU 205.A N VAL 201.A O no hydrogen 2.956 N/A LEU 206.A N LEU 202.A O no hydrogen 3.019 N/A MET 207.A N LEU 203.A O no hydrogen 3.064 N/A THR 208.A N TRP 204.A O no hydrogen 3.090 N/A THR 208.A OG1 TRP 204.A O no hydrogen 2.889 N/A THR 208.A OG1 GLU 205.A O no hydrogen 3.053 N/A ARG 209.A N LEU 206.A O no hydrogen 3.003 N/A ARG 209.A NE ILE 119.A O no hydrogen 2.725 N/A ARG 209.A NH1 ILE 119.A O no hydrogen 2.833 N/A ARG 209.A NH1 HIS 124.A O no hydrogen 3.074 N/A ARG 209.A NH2 HIS 124.A O no hydrogen 3.348 N/A GLY 210.A N GLU 205.A O no hydrogen 2.593 N/A ALA 211.A N THR 208.A OG1 no hydrogen 3.268 N/A VAL 217.A N TYR 214.A O no hydrogen 3.281 N/A ASP 221.A N ASN 218.A O no hydrogen 3.067 N/A TYR 225.A N ASP 221.A O no hydrogen 3.251 N/A LEU 226.A N ILE 222.A O no hydrogen 3.094 N/A LEU 227.A N THR 223.A O no hydrogen 2.999 N/A GLN 228.A N VAL 224.A O no hydrogen 2.949 N/A GLY 229.A N LEU 226.A O no hydrogen 2.965 N/A ARG 230.A N TYR 225.A O no hydrogen 3.231 N/A ARG 230.A NE GLN 228.A OE1 no hydrogen 2.937 N/A ARG 231.A NE TRP 250.A O no hydrogen 3.134 N/A ARG 231.A NH1 LEU 226.A O no hydrogen 3.061 N/A ARG 231.A NH1 ARG 230.A O no hydrogen 3.088 N/A ARG 231.A NH2 TRP 250.A O no hydrogen 2.729 N/A GLN 234.A NE2 CYS 238.A O no hydrogen 2.896 N/A GLN 234.A NE2 ASP 240.A OD1 no hydrogen 2.794 N/A CYS 238.A N PRO 235.A O no hydrogen 3.022 N/A CYS 238.A SG PRO 239.A O no hydrogen 3.329 N/A TYR 243.A N PRO 239.A O no hydrogen 3.027 N/A TYR 243.A OH LEU 232.A O no hydrogen 2.533 N/A GLU 244.A N ASP 240.A O no hydrogen 3.040 N/A VAL 245.A N PRO 241.A O no hydrogen 3.187 N/A MET 246.A N LEU 242.A O no hydrogen 3.065 N/A LEU 247.A N TYR 243.A O no hydrogen 2.974 N/A LYS 248.A N GLU 244.A O no hydrogen 2.961 N/A CYS 249.A N VAL 245.A O no hydrogen 3.008 N/A CYS 249.A SG VAL 245.A O no hydrogen 3.359 N/A TRP 250.A N MET 246.A O no hydrogen 3.127 N/A TRP 250.A N LEU 247.A O no hydrogen 3.203 N/A HIS 251.A N LYS 248.A O no hydrogen 3.364 N/A LYS 253.A N HIS 251.A ND1 no hydrogen 3.131 N/A GLU 255.A N GLU 255.A OE2 no hydrogen 2.865 N/A MET 256.A N LYS 253.A O no hydrogen 2.939 N/A ARG 257.A N ALA 254.A O no hydrogen 3.208 N/A ARG 257.A NE HIS 251.A O no hydrogen 2.807 N/A ARG 257.A NH1 GLU 183.A OE1 no hydrogen 2.675 N/A ARG 257.A NH1 GLU 183.A OE2 no hydrogen 3.420 N/A ARG 257.A NH1 LYS 193.A O no hydrogen 3.267 N/A ARG 257.A NH2 GLU 183.A OE2 no hydrogen 2.757 N/A ARG 257.A NH2 HIS 251.A O no hydrogen 2.802 N/A SER 259.A N GLU 262.A OE2 no hydrogen 2.723 N/A SER 259.A OG GLU 262.A OE2 no hydrogen 3.177 N/A GLU 262.A N SER 259.A OG no hydrogen 3.011 N/A LEU 263.A N SER 259.A O no hydrogen 2.867 N/A VAL 264.A N PHE 260.A O no hydrogen 2.872 N/A SER 265.A N SER 261.A O no hydrogen 3.342 N/A SER 265.A OG GLU 262.A O no hydrogen 3.114 N/A ARG 266.A N GLU 262.A O no hydrogen 3.049 N/A ILE 267.A N LEU 263.A O no hydrogen 2.850 N/A SER 268.A N VAL 264.A O no hydrogen 2.892 N/A ALA 269.A N SER 265.A O no hydrogen 3.228 N/A ILE 270.A N ARG 266.A O no hydrogen 3.103 N/A PHE 271.A N ILE 267.A O no hydrogen 2.781 N/A SER 272.A N SER 268.A O no hydrogen 3.071 N/A SER 272.A OG SER 268.A O no hydrogen 3.410 N/A SER 272.A OG ALA 269.A O no hydrogen 2.607 N/A THR 273.A N ILE 270.A O no hydrogen 3.081 N/A THR 273.A OG1 ILE 270.A O no hydrogen 2.738 N/A PHE 274.A N PHE 271.A O no hydrogen 3.217 N/A HIS 278.A N ASP 130.A OD2 no hydrogen 2.743 N/A HIS 278.A ND1 ASN 125.A O no hydrogen 2.743 N/A TYR 279.A N ASP 130.A OD1 no hydrogen 3.007 N/A