Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ru8_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG SER 231.A O no hydrogen 2.764 N/A PHE 4.A N SER 2.A OG no hydrogen 3.180 N/A TYR 5.A N ILE 66.A O no hydrogen 2.859 N/A ASN 7.A ND2 THR 39.A OG1 no hydrogen 2.990 N/A ASN 9.A N ASN 7.A OD1 no hydrogen 3.009 N/A MET 10.A N ASN 7.A O no hydrogen 3.105 N/A SER 11.A OG GLU 251.A OE2 no hydrogen 3.441 N/A GLU 14.A N MET 10.A O no hydrogen 3.074 N/A TRP 15.A N SER 11.A O no hydrogen 2.816 N/A VAL 16.A N SER 12.A O no hydrogen 2.971 N/A ARG 17.A N ALA 13.A O no hydrogen 3.050 N/A ARG 17.A NH1 PRO 8.A O no hydrogen 2.749 N/A ARG 17.A NH2 PRO 8.A O no hydrogen 3.100 N/A ASN 18.A N GLU 14.A O no hydrogen 3.012 N/A ASN 18.A N TRP 15.A O no hydrogen 3.076 N/A ASN 19.A N VAL 16.A O no hydrogen 3.259 N/A ASN 19.A ND2 TRP 15.A O no hydrogen 2.709 N/A ASP 22.A N ASN 19.A O no hydrogen 3.248 N/A ARG 24.A N ASP 22.A OD1 no hydrogen 2.835 N/A ARG 24.A NE ASP 22.A OD1 no hydrogen 2.956 N/A ARG 24.A NH1 GLN 265.A OE1 no hydrogen 2.938 N/A ARG 24.A NH2 ASP 22.A OD2 no hydrogen 2.910 N/A THR 25.A N ASP 22.A O no hydrogen 3.087 N/A THR 25.A OG1 ASN 19.A O no hydrogen 2.576 N/A THR 25.A OG1 ASP 22.A O no hydrogen 3.361 N/A ILE 28.A N ARG 24.A O no hydrogen 3.122 N/A ARG 29.A N THR 25.A O no hydrogen 2.752 N/A ARG 29.A NE.B ASN 30.A OD1 no hydrogen 3.339 N/A ASN 30.A N PRO 26.A O no hydrogen 2.902 N/A ARG 31.A N VAL 27.A O no hydrogen 2.773 N/A ILE 32.A N ILE 28.A O no hydrogen 2.917 N/A ALA 33.A N ILE 28.A O no hydrogen 2.820 N/A SER 34.A OG ARG 29.A O no hydrogen 3.563 N/A SER 34.A OG ASN 30.A O no hydrogen 2.802 N/A VAL 35.A N ILE 32.A O no hydrogen 3.189 N/A GLN 37.A NE2 VAL 35.A O no hydrogen 2.987 N/A GLY 38.A N TRP 245.A O no hydrogen 2.889 N/A THR 39.A N ILE 68.A O no hydrogen 2.900 N/A TRP 40.A NE1 ILE 246.A O no hydrogen 2.819 N/A HIS 41.A N VAL 70.A O no hydrogen 2.833 N/A HIS 41.A ND1 VAL 70.A O no hydrogen 3.228 N/A GLN 43.A NE2 ASP 72.A O no hydrogen 3.288 N/A GLN 43.A NE2 GLY 74.A O no hydrogen 3.053 N/A HIS 44.A N ASN 42.A OD1 no hydrogen 2.812 N/A HIS 44.A NE2 THR 76.A OG1 no hydrogen 2.951 N/A ASN 45.A N ASN 42.A O no hydrogen 3.393 N/A THR 50.A OG1 GLU 92.A O no hydrogen 2.735 N/A GLN 52.A N GLN 48.A O no hydrogen 3.089 N/A GLN 52.A NE2.A PRO 46.A O no hydrogen 2.483 N/A VAL 53.A N ILE 49.A O no hydrogen 2.864 N/A ASP 54.A N THR 50.A O no hydrogen 2.889 N/A ALA 55.A N GLY 51.A O no hydrogen 2.994 N/A LEU 56.A N GLN 52.A O no hydrogen 3.155 N/A MET 57.A N VAL 53.A O no hydrogen 2.853 N/A SER 58.A N ASP 54.A O no hydrogen 2.872 N/A SER 58.A OG ASP 54.A O no hydrogen 2.952 N/A SER 58.A OG ASP 54.A OD2 no hydrogen 3.551 N/A ALA 59.A N ALA 55.A O no hydrogen 2.938 N/A ALA 60.A N LEU 56.A O no hydrogen 2.973 N/A GLN 61.A N MET 57.A O no hydrogen 3.013 N/A ALA 62.A N SER 58.A O no hydrogen 2.941 N/A ALA 63.A N ALA 59.A O no hydrogen 2.969 N/A GLY 64.A N GLN 61.A O no hydrogen 3.003 N/A LYS 65.A N ALA 60.A O no hydrogen 3.076 N/A LYS 65.A NZ SER 2.A O no hydrogen 2.969 N/A ILE 66.A N PRO 3.A O no hydrogen 2.841 N/A LEU 69.A N TYR 103.A O no hydrogen 2.861 N/A VAL 70.A N THR 39.A O no hydrogen 2.923 N/A VAL 71.A N ILE 105.A O no hydrogen 2.924 N/A ASP 72.A N HIS 41.A O no hydrogen 3.146 N/A THR 76.A OG1 HIS 44.A NE2 no hydrogen 2.951 N/A SER 80.A N ASP 78.A OD1 no hydrogen 3.361 N/A SER 80.A OG ASP 78.A OD1 no hydrogen 2.975 N/A GLN 81.A N ASP 78.A O no hydrogen 3.140 N/A GLU 83.A N GLN 81.A O no hydrogen 2.811 N/A GLY 86.A N GLY 82.A O no hydrogen 3.290 N/A LYS 87.A N GLU 83.A O no hydrogen 3.065 N/A LYS 87.A NZ ASP 91.A OD2 no hydrogen 2.897 N/A LYS 87.A NZ TYR 127.A OH no hydrogen 2.877 N/A GLN 88.A N GLU 84.A O no hydrogen 2.971 N/A GLN 88.A NE2 GLU 92.A OE2 no hydrogen 2.631 N/A TRP 89.A N ALA 85.A O no hydrogen 2.881 N/A ILE 90.A N GLY 86.A O no hydrogen 3.162 N/A ASP 91.A N LYS 87.A O no hydrogen 2.988 N/A GLU 92.A N GLN 88.A O no hydrogen 2.869 N/A PHE 93.A N TRP 89.A O no hydrogen 2.731 N/A ALA 94.A N ILE 90.A O no hydrogen 2.797 N/A ALA 95.A N ASP 91.A O no hydrogen 3.034 N/A GLY 96.A N PHE 93.A O no hydrogen 3.017 N/A LEU 97.A N ALA 94.A O no hydrogen 3.120 N/A LYS 98.A NZ ASP 54.A OD2 no hydrogen 3.303 N/A ASN 99.A N GLY 135.A O no hydrogen 3.006 N/A ARG 100.A N LEU 97.A O no hydrogen 3.268 N/A ARG 100.A NE LEU 97.A O no hydrogen 3.003 N/A ARG 100.A NH1 ASP 54.A OD2 no hydrogen 3.530 N/A ARG 100.A NH1 SER 58.A OG no hydrogen 2.678 N/A ARG 100.A NH2 ASP 54.A OD2 no hydrogen 2.722 N/A ARG 100.A NH2 GLY 96.A O no hydrogen 2.986 N/A TYR 103.A N PRO 67.A O no hydrogen 3.050 N/A ILE 104.A N ARG 140.A O no hydrogen 2.817 N/A ILE 105.A N LEU 69.A O no hydrogen 2.797 N/A VAL 106.A N TYR 142.A O no hydrogen 2.815 N/A TYR 107.A N VAL 71.A O no hydrogen 3.025 N/A LEU 109.A N ASP 144.A OD2 no hydrogen 2.878 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.888 N/A ILE 117.A N ASP 114.A O no hydrogen 3.257 N/A VAL 118.A N ASP 114.A O no hydrogen 3.162 N/A GLN 119.A N PRO 115.A O no hydrogen 2.780 N/A GLU 120.A N GLU 116.A O no hydrogen 3.143 N/A TRP 121.A N ILE 117.A O no hydrogen 2.959 N/A LEU 122.A N VAL 118.A O no hydrogen 2.980 N/A ARG 123.A N GLN 119.A O no hydrogen 3.002 N/A ARG 123.A NE GLU 120.A OE1 no hydrogen 3.045 N/A ARG 123.A NE GLU 120.A OE2 no hydrogen 3.312 N/A ARG 123.A NH2 GLU 120.A OE2 no hydrogen 2.704 N/A THR 124.A N GLU 120.A O no hydrogen 2.948 N/A THR 124.A OG1 GLU 120.A O no hydrogen 3.496 N/A THR 124.A OG1 TRP 121.A O no hydrogen 2.623 N/A VAL 125.A N TRP 121.A O no hydrogen 2.874 N/A ALA 126.A N LEU 122.A O no hydrogen 2.975 N/A TYR 127.A N ARG 123.A O no hydrogen 3.045 N/A TYR 127.A OH ASP 91.A OD1 no hydrogen 2.707 N/A TYR 127.A OH ASP 91.A OD2 no hydrogen 3.096 N/A ALA 128.A N THR 124.A O no hydrogen 2.899 N/A GLY 129.A N VAL 125.A O no hydrogen 2.942 N/A LYS 130.A N ALA 126.A O no hydrogen 3.337 N/A LYS 130.A NZ ALA 126.A O no hydrogen 3.355 N/A LYS 130.A NZ ASP 164.A OD2 no hydrogen 2.834 N/A LYS 130.A NZ SER 168.A OG no hydrogen 2.890 N/A ALA 131.A N TYR 127.A O no hydrogen 2.926 N/A LEU 132.A N ALA 128.A O no hydrogen 2.829 N/A LYS 133.A N GLY 129.A O no hydrogen 2.956 N/A LYS 133.A NZ ASN 167.A O no hydrogen 3.172 N/A ALA 134.A N LYS 130.A O no hydrogen 3.053 N/A GLY 135.A N ALA 131.A O no hydrogen 2.939 N/A SER 136.A N LEU 132.A O no hydrogen 3.118 N/A SER 136.A OG ARG 100.A O no hydrogen 2.604 N/A SER 137.A N ASN 99.A OD1 no hydrogen 2.868 N/A SER 137.A OG ASN 99.A OD1 no hydrogen 2.615 N/A GLN 138.A N SER 136.A OG no hydrogen 3.221 N/A GLN 138.A NE2 ASN 99.A O no hydrogen 2.938 N/A ALA 139.A N SER 136.A O no hydrogen 3.181 N/A ALA 139.A N SER 136.A OG no hydrogen 3.092 N/A ARG 140.A N ALA 102.A O no hydrogen 2.809 N/A ARG 140.A NE TYR 142.A OH no hydrogen 2.812 N/A ARG 140.A NH2 ASP 241.A OD2 no hydrogen 2.657 N/A ILE 141.A N HIS 170.A ND1 no hydrogen 2.957 N/A TYR 142.A N ILE 104.A O no hydrogen 2.827 N/A TYR 142.A OH ASP 241.A OD2 no hydrogen 2.547 N/A PHE 143.A N GLY 171.A O no hydrogen 2.968 N/A ASP 144.A N VAL 106.A O no hydrogen 2.961 N/A ALA 145.A N ALA 173.A O no hydrogen 2.851 N/A GLY 146.A N ASP 144.A OD1 no hydrogen 3.140 N/A HIS 147.A ND1 SER 148.A O no hydrogen 2.739 N/A SER 148.A N GLU 185.A OE2 no hydrogen 2.787 N/A SER 148.A OG GLU 185.A OE2 no hydrogen 2.579 N/A SER 152.A N GLN 155.A OE1 no hydrogen 3.290 N/A GLN 155.A N SER 152.A OG no hydrogen 3.017 N/A MET 156.A N SER 152.A O no hydrogen 3.003 N/A ALA 157.A N PRO 153.A O no hydrogen 2.840 N/A ALA 158.A N ALA 154.A O no hydrogen 3.062 N/A ALA 159.A N GLN 155.A O no hydrogen 3.056 N/A LEU 160.A N MET 156.A O no hydrogen 2.896 N/A GLN 161.A N ALA 157.A O no hydrogen 2.896 N/A ARG 162.A N ALA 158.A O no hydrogen 3.086 N/A ARG 162.A NH1.A GLN 119.A OE1.A no hydrogen 3.156 N/A ALA 163.A N ALA 159.A O no hydrogen 3.014 N/A ASP 164.A N GLN 161.A O no hydrogen 2.920 N/A ILE 165.A N LEU 160.A O no hydrogen 3.103 N/A ASN 167.A N ASP 164.A O no hydrogen 2.960 N/A ASN 167.A ND2 ASP 164.A OD1 no hydrogen 2.821 N/A SER 168.A N ILE 165.A O no hydrogen 3.095 N/A SER 168.A OG ALA 126.A O no hydrogen 3.329 N/A SER 168.A OG ASP 164.A O no hydrogen 2.831 N/A ALA 169.A N ILE 165.A O no hydrogen 2.961 N/A HIS 170.A N ILE 141.A O no hydrogen 2.692 N/A GLY 171.A N ILE 141.A O no hydrogen 3.233 N/A ILE 172.A N ARG 202.A O no hydrogen 2.863 N/A ALA 173.A N PHE 143.A O no hydrogen 2.876 N/A THR 174.A N VAL 204.A O no hydrogen 2.944 N/A THR 174.A OG1 GLU 185.A OE1 no hydrogen 2.813 N/A ASN 175.A N GLY 146.A O no hydrogen 2.951 N/A ASN 175.A ND2 ARG 180.A O no hydrogen 3.127 N/A ASN 175.A ND2 ASP 206.A O no hydrogen 2.941 N/A SER 177.A N ASP 206.A OD2 no hydrogen 2.866 N/A SER 177.A OG.B TYR 107.A OH no hydrogen 3.362 N/A SER 177.A OG.B THR 176.A O no hydrogen 2.608 N/A ASN 178.A N ASN 175.A O no hydrogen 2.798 N/A ASN 178.A ND2 SER 219.A OG.A no hydrogen 3.118 N/A TYR 179.A N ASN 178.A OD1 no hydrogen 2.795 N/A TYR 179.A OH ASP 253.A OD2 no hydrogen 2.623 N/A ARG 180.A N ASN 175.A OD1 no hydrogen 3.149 N/A ARG 180.A NE SER 148.A OG no hydrogen 3.009 N/A GLU 185.A N TRP 181.A O no hydrogen 3.032 N/A VAL 186.A N THR 182.A O no hydrogen 2.749 N/A ALA 187.A N ALA 183.A O no hydrogen 3.223 N/A TYR 188.A N ASP 184.A O no hydrogen 2.902 N/A TYR 188.A OH ALA 145.A O no hydrogen 2.520 N/A ALA 189.A N GLU 185.A O no hydrogen 2.785 N/A LYS 190.A N VAL 186.A O no hydrogen 3.084 N/A LYS 190.A NZ ASP 237.A OD2 no hydrogen 2.818 N/A ALA 191.A N ALA 187.A O no hydrogen 3.021 N/A VAL 192.A N TYR 188.A O no hydrogen 2.931 N/A LEU 193.A N ALA 189.A O no hydrogen 2.955 N/A SER 194.A N LYS 190.A O no hydrogen 2.871 N/A SER 194.A OG.B LYS 190.A O no hydrogen 2.973 N/A ALA 195.A N ALA 191.A O no hydrogen 2.947 N/A ILE 196.A N VAL 192.A O no hydrogen 2.969 N/A GLY 197.A N LEU 193.A O no hydrogen 2.957 N/A ASN 198.A ND2 SER 166.A OG no hydrogen 2.905 N/A SER 200.A N ASN 198.A OD1 no hydrogen 3.027 N/A LEU 201.A N ASN 198.A O no hydrogen 3.296 N/A ARG 202.A N HIS 170.A O no hydrogen 3.109 N/A ARG 202.A NH1 PRO 199.A O no hydrogen 2.768 N/A ARG 202.A NH1 LEU 201.A O no hydrogen 2.986 N/A ALA 203.A N MET 239.A O no hydrogen 2.833 N/A VAL 204.A N ILE 172.A O no hydrogen 2.819 N/A ILE 205.A N ALA 242.A O no hydrogen 3.150 N/A ASP 206.A N THR 174.A O no hydrogen 2.916 N/A THR 207.A N LEU 244.A O no hydrogen 2.834 N/A THR 207.A OG1 THR 229.A O no hydrogen 2.666 N/A SER 208.A N ASP 206.A OD1 no hydrogen 3.014 N/A SER 208.A OG ASP 206.A OD1 no hydrogen 2.593 N/A SER 208.A OG ASP 206.A OD2 no hydrogen 3.371 N/A ARG 209.A NH1 ASP 253.A OD1 no hydrogen 3.054 N/A ARG 209.A NH1 ASP 253.A OD2 no hydrogen 3.532 N/A ARG 209.A NH2 SER 177.A O no hydrogen 2.909 N/A ARG 209.A NH2 ASP 253.A OD1 no hydrogen 2.799 N/A ARG 209.A NH2 ASP 253.A OD2 no hydrogen 3.388 N/A ASN 210.A ND2 ARG 180.A O no hydrogen 2.870 N/A ASN 210.A ND2 THR 182.A OG1 no hydrogen 2.858 N/A GLY 211.A N ALA 226.A O no hydrogen 2.859 N/A ASN 212.A ND2 GLY 224.A O no hydrogen 3.078 N/A GLY 213.A N ASN 210.A O no hydrogen 3.228 N/A GLU 218.A N ALA 215.A O no hydrogen 3.079 N/A CYS 220.A N GLU 218.A OE2.A no hydrogen 2.768 N/A ASP 221.A N ASP 253.A OD2 no hydrogen 2.826 N/A ARG 225.A NE SER 223.A O no hydrogen 2.768 N/A ARG 225.A NH1 GLY 213.A O no hydrogen 2.931 N/A ARG 225.A NH2 SER 223.A O no hydrogen 3.024 N/A ILE 227.A N MET 270.A O no hydrogen 3.130 N/A GLY 228.A N SER 208.A O no hydrogen 3.300 N/A SER 231.A OG PRO 36.A O no hydrogen 2.647 N/A THR 232.A N PHE 243.A O no hydrogen 2.825 N/A ASN 234.A N THR 232.A OG1 no hydrogen 2.964 N/A THR 235.A N THR 233.A O no hydrogen 3.115 N/A THR 235.A OG1 ASP 237.A O no hydrogen 3.132 N/A THR 235.A OG1 ILE 240.A O no hydrogen 2.766 N/A ASP 237.A N THR 235.A OG1 no hydrogen 3.379 N/A MET 239.A N ASP 237.A OD1 no hydrogen 2.987 N/A ILE 240.A N ASP 237.A O no hydrogen 3.147 N/A ASP 241.A N ALA 203.A O no hydrogen 2.796 N/A PHE 243.A N THR 232.A O no hydrogen 2.959 N/A LEU 244.A N ILE 205.A O no hydrogen 2.927 N/A TRP 245.A N SER 231.A OG no hydrogen 3.021 N/A TRP 245.A NE1 GLY 228.A O no hydrogen 3.251 N/A ILE 246.A N ASP 206.A OD1 no hydrogen 3.100 N/A LYS 247.A N ASP 206.A OD2 no hydrogen 3.054 N/A LYS 247.A NZ GLU 251.A O no hydrogen 3.260 N/A LYS 247.A NZ ALA 252.A O no hydrogen 2.975 N/A GLU 251.A N LEU 248.A O no hydrogen 3.049 N/A ALA 252.A N GLN 261.A O no hydrogen 2.811 N/A ASP 253.A N ASP 221.A OD1 no hydrogen 2.808 N/A ASP 253.A N ASP 221.A OD2 no hydrogen 3.279 N/A CYS 255.A N ASP 221.A OD2 no hydrogen 2.847 N/A CYS 255.A SG CYS 220.A O no hydrogen 3.939 N/A ILE 256.A N ASP 221.A OD2 no hydrogen 2.959 N/A GLY 260.A N ALA 252.A O no hydrogen 2.837 N/A GLN 261.A N GLY 258.A O no hydrogen 3.011 N/A VAL 263.A N GLY 250.A O no hydrogen 2.755 N/A GLN 265.A NE2 GLU 269.A OE2 no hydrogen 2.871 N/A ALA 267.A N VAL 263.A O no hydrogen 3.073 N/A TYR 268.A N PRO 264.A O no hydrogen 2.813 N/A GLU 269.A N GLN 265.A O no hydrogen 2.912 N/A MET 270.A N ALA 266.A O no hydrogen 3.121 N/A ALA 271.A N ALA 267.A O no hydrogen 3.116 N/A ILE 272.A N TYR 268.A O no hydrogen 2.941 N/A ALA 273.A N GLU 269.A O no hydrogen 3.140 N/A ALA 274.A N ALA 271.A O no hydrogen 3.240 N/A HIS 277.A N ALA 274.A O no hydrogen 2.956 N/A