Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 10.A N ASN 320.A OD1 no hydrogen 2.842 N/A ASN 10.A ND2 THR 27.A O no hydrogen 3.070 N/A SER 12.A N ASN 10.A OD1 no hydrogen 3.091 N/A SER 12.A OG VAL 26.A O no hydrogen 2.762 N/A ASP 14.A N SER 12.A OG no hydrogen 3.352 N/A VAL 16.A N VAL 24.A O no hydrogen 3.198 N/A THR 18.A N GLU 21.A O no hydrogen 2.905 N/A THR 18.A OG1 GLU 21.A O no hydrogen 2.967 N/A LEU 20.A N THR 18.A OG1 no hydrogen 3.264 N/A GLU 21.A N THR 18.A OG1 no hydrogen 2.811 N/A LYS 22.A NZ THR 18.A O no hydrogen 2.729 N/A ASN 23.A N ASP 17.A OD2 no hydrogen 2.921 N/A VAL 24.A N VAL 16.A O no hydrogen 2.817 N/A VAL 26.A N ASP 14.A O no hydrogen 2.872 N/A THR 27.A N LEU 318.A O no hydrogen 2.801 N/A THR 27.A OG1 HIS 28.A ND1 no hydrogen 2.931 N/A THR 27.A OG1 LEU 318.A O no hydrogen 3.277 N/A HIS 28.A ND1 THR 27.A OG1 no hydrogen 2.931 N/A SER 29.A OG ASP 14.A OD2 no hydrogen 3.101 N/A VAL 30.A N LEU 314.A O no hydrogen 3.092 N/A LEU 32.A N LEU 312.A O no hydrogen 3.110 N/A LEU 33.A N ASN 31.A OD1 no hydrogen 3.175 N/A GLU 34.A N PHE 292.A O no hydrogen 2.701 N/A ASN 38.A N ALA 285.A O no hydrogen 2.933 N/A GLY 39.A N HIS 37.A ND1 no hydrogen 2.775 N/A LYS 40.A N ASN 38.A OD1 no hydrogen 2.847 N/A LYS 40.A NZ HIS 273.A ND1 no hydrogen 2.975 N/A LEU 41.A N PRO 271.A O no hydrogen 2.918 N/A CYS 42.A N GLN 280.A OE1 no hydrogen 3.313 N/A CYS 42.A SG LYS 40.A O no hydrogen 3.822 N/A LYS 43.A N CYS 275.A O no hydrogen 2.804 N/A LYS 43.A NZ ASP 274.A OD1 no hydrogen 3.188 N/A LEU 44.A N VAL 47.A O no hydrogen 2.995 N/A ARG 45.A N THR 277.A O no hydrogen 3.513 N/A VAL 47.A N LEU 44.A O no hydrogen 3.419 N/A LEU 50.A N TYR 78.A O no hydrogen 2.667 N/A LEU 52.A N VAL 80.A O no hydrogen 3.090 N/A GLY 53.A N HIS 51.A ND1 no hydrogen 2.871 N/A LYS 54.A NZ GLU 66.A OE1 no hydrogen 3.034 N/A CYS 55.A N LEU 52.A O no hydrogen 2.835 N/A CYS 55.A SG GLU 66.A O no hydrogen 3.512 N/A ASN 56.A N ASN 87.A O no hydrogen 3.219 N/A ILE 57.A N GLU 81.A OE2 no hydrogen 2.972 N/A ALA 58.A N TYR 98.A OH no hydrogen 3.074 N/A GLY 59.A N ASN 56.A OD1 no hydrogen 2.857 N/A TRP 60.A N ASN 56.A O no hydrogen 2.890 N/A ILE 61.A N ILE 57.A O no hydrogen 2.879 N/A LEU 62.A N ALA 58.A O no hydrogen 3.053 N/A GLY 63.A N GLY 59.A O no hydrogen 3.197 N/A ASN 64.A N GLY 59.A O no hydrogen 2.883 N/A ASN 64.A ND2 GLY 88.A O no hydrogen 2.971 N/A GLU 66.A N ASN 64.A OD1 no hydrogen 2.840 N/A CYS 67.A N ASN 64.A O no hydrogen 2.754 N/A LEU 70.A N GLU 68.A OE2 no hydrogen 3.334 N/A SER 71.A N GLU 68.A OE1 no hydrogen 3.302 N/A SER 71.A OG GLU 68.A OE1 no hydrogen 2.651 N/A TRP 76.A N VAL 108.A O no hydrogen 3.074 N/A TRP 76.A NE1 LEU 105.A O no hydrogen 3.019 N/A SER 77.A N ALA 48.A O no hydrogen 3.423 N/A SER 77.A OG VAL 47.A O no hydrogen 2.742 N/A TYR 78.A OH CYS 42.A O no hydrogen 3.050 N/A ILE 79.A N GLY 264A.A O no hydrogen 3.459 N/A VAL 80.A N LEU 50.A O no hydrogen 2.838 N/A GLU 81.A N ILE 266.A O no hydrogen 2.858 N/A THR 82.A N SER 85.A OG no hydrogen 2.952 N/A THR 82.A OG1 SER 85.A OG no hydrogen 2.625 N/A SER 85.A N THR 82.A O no hydrogen 2.776 N/A SER 85.A OG GLY 53.A O no hydrogen 2.823 N/A SER 85.A OG THR 82.A O no hydrogen 3.056 N/A SER 85.A OG THR 82.A OG1 no hydrogen 2.625 N/A ASN 87.A N LYS 54.A O no hydrogen 3.413 N/A THR 89.A OG1 THR 89.A O no hydrogen 2.638 N/A TYR 91.A N TYR 145.A OH no hydrogen 3.022 N/A ASP 94.A N ASN 228.A OD1 no hydrogen 2.823 N/A ILE 96.A N TYR 229.A O no hydrogen 3.024 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.661 N/A LEU 101.A N ASP 97.A O no hydrogen 3.177 N/A ARG 102.A N TYR 98.A O no hydrogen 2.924 N/A ARG 102.A NH1 GLU 81.A OE2 no hydrogen 2.896 N/A ARG 102.A NH1 TYR 98.A OH no hydrogen 2.910 N/A ARG 102.A NH2 GLU 81.A OE1 no hydrogen 3.309 N/A ARG 102.A NH2 GLU 81.A OE2 no hydrogen 3.466 N/A GLU 103.A N GLU 99.A O no hydrogen 2.921 N/A GLN 104.A N GLU 100.A O no hydrogen 2.865 N/A GLN 104.A NE2 GLU 100.A OE1 no hydrogen 3.242 N/A LEU 105.A N LEU 101.A O no hydrogen 2.980 N/A LEU 105.A N ARG 102.A O no hydrogen 3.332 N/A SER 106.A N GLU 103.A O no hydrogen 3.048 N/A SER 106.A OG GLU 103.A O no hydrogen 2.692 N/A SER 106.A OG GLY 262.A O no hydrogen 2.668 N/A SER 107.A OG TRP 76.A O no hydrogen 3.537 N/A VAL 108.A N TRP 76.A O no hydrogen 3.224 N/A SER 109.A N GLU 258.A O no hydrogen 2.884 N/A SER 109.A OG GLU 258.A O no hydrogen 3.194 N/A SER 109.A OG GLU 258.A OE1 no hydrogen 3.492 N/A ARG 113.A NE ASN 147.A OD1 no hydrogen 2.857 N/A ARG 113.A NH2 ASN 147.A OD1 no hydrogen 2.765 N/A PHE 114.A N ALA 254.A O no hydrogen 3.054 N/A PHE 117.A N ARG 252.A O no hydrogen 3.397 N/A LYS 119.A N GLU 115.A OE2 no hydrogen 3.281 N/A LYS 119.A NZ ASN 129.A OD1 no hydrogen 2.907 N/A SER 121.A N PRO 118.A O no hydrogen 3.302 N/A SER 122.A N PRO 118.A O no hydrogen 3.052 N/A SER 122.A OG PRO 118.A O no hydrogen 2.720 N/A HIS 126.A N TRP 123.A O no hydrogen 3.468 N/A HIS 126.A NE2 PRO 159.A O no hydrogen 3.068 N/A ASP 127.A N VAL 152.A O no hydrogen 2.785 N/A ASN 129.A N ASP 127.A OD2 no hydrogen 2.926 N/A VAL 132.A N LYS 130A.A O no hydrogen 2.800 N/A THR 133.A N SER 143.A O no hydrogen 2.886 N/A ALA 135.A N THR 133.A OG1 no hydrogen 2.962 N/A CYS 136.A N THR 133.A O no hydrogen 3.242 N/A HIS 138.A N ALA 141.A O no hydrogen 3.071 N/A GLY 140.A N HIS 138.A O no hydrogen 2.700 N/A SER 143.A N THR 133.A O no hydrogen 3.200 N/A TYR 145.A OH TYR 229.A OH no hydrogen 2.553 N/A LYS 146.A N GLY 63.A O no hydrogen 2.885 N/A ASN 147.A N LEU 62.A O no hydrogen 3.280 N/A ASN 147.A ND2 ILE 61.A O no hydrogen 3.085 N/A ILE 149.A N VAL 250.A O no hydrogen 2.737 N/A TRP 150.A NE1 TYR 192.A OH no hydrogen 3.005 N/A VAL 152.A N ASP 127.A O no hydrogen 2.974 N/A LYS 153.A N LEU 191.A O no hydrogen 3.068 N/A LYS 153.A NZ GLN 189.A O no hydrogen 3.067 N/A LYS 154.A NZ PRO 124.A O no hydrogen 2.934 N/A SER 157.A N LYS 154.A O no hydrogen 3.464 N/A SER 157.A OG LYS 154.A O no hydrogen 3.541 N/A TYR 158.A N GLN 193.A OE1 no hydrogen 2.963 N/A LEU 161.A N ALA 244.A O no hydrogen 2.752 N/A LYS 163.A N PHE 242.A O no hydrogen 2.868 N/A SER 164.A OG THR 241.A OG1 no hydrogen 2.691 N/A TYR 165.A N ILE 240.A O no hydrogen 3.024 N/A ASN 167.A N ASP 238.A O no hydrogen 3.006 N/A ASN 167.A ND2 LYS 171.A O no hydrogen 2.791 N/A ASN 167.A ND2 VAL 234.A O no hydrogen 2.922 N/A LYS 169.A N ASN 167.A OD1 no hydrogen 2.926 N/A LYS 169.A NZ GLU 112C.A OE1 no hydrogen 3.555 N/A LYS 171.A NZ SER 110A.A OG no hydrogen 2.772 N/A VAL 173.A N VAL 234.A O no hydrogen 2.830 N/A LEU 174.A N PHE 255.A O no hydrogen 2.723 N/A VAL 175.A N THR 232.A O no hydrogen 3.140 N/A TRP 177.A N TYR 230.A O no hydrogen 3.101 N/A GLY 178.A N VAL 249.A O no hydrogen 2.902 N/A ILE 179.A N ASN 228.A O no hydrogen 2.900 N/A HIS 180.A N ASN 247.A O no hydrogen 2.852 N/A HIS 180.A NE2 TYR 91.A OH no hydrogen 2.821 N/A HIS 181.A N ARG 226.A O no hydrogen 2.586 N/A THR 184.A OG1 ASP 187.A OD1 no hydrogen 2.952 N/A ASP 187.A N THR 184.A OG1 no hydrogen 2.869 N/A GLN 188.A N THR 184.A O no hydrogen 3.222 N/A GLN 188.A NE2 ASN 194.A O no hydrogen 3.204 N/A GLN 188.A NE2 ASN 247.A OD1 no hydrogen 2.917 N/A GLN 189.A N SER 185.A O no hydrogen 3.010 N/A SER 190.A N ALA 186.A O no hydrogen 2.728 N/A SER 190.A OG ALA 186.A O no hydrogen 2.821 N/A LEU 191.A N ASP 187.A O no hydrogen 2.956 N/A TYR 192.A N GLN 188.A O no hydrogen 2.845 N/A TYR 192.A OH HIS 180.A ND1 no hydrogen 2.940 N/A GLN 193.A N GLN 189.A O no hydrogen 2.866 N/A ASN 194.A N TYR 192.A O no hydrogen 2.529 N/A ASN 194.A ND2 TYR 158.A O no hydrogen 3.224 N/A ASN 194.A ND2 THR 245.A O no hydrogen 3.122 N/A THR 197.A OG1 ASN 247.A OD1 no hydrogen 2.545 N/A TYR 198.A N THR 245.A OG1 no hydrogen 2.964 N/A TYR 198.A OH GLU 243.A OE2 no hydrogen 2.599 N/A VAL 199.A N PHE 210.A O no hydrogen 2.871 N/A PHE 200.A N GLU 243.A O no hydrogen 2.617 N/A VAL 201.A N LYS 208.A O no hydrogen 3.224 N/A CYS 202.A N THR 241.A O no hydrogen 3.228 N/A SER 203.A N TYR 206.A O no hydrogen 2.789 N/A SER 204.A N ASP 238.A OD2 no hydrogen 3.019 N/A SER 204.A OG ASP 238.A OD1 no hydrogen 2.554 N/A ARG 205.A N SER 203.A OG no hydrogen 3.292 N/A ARG 205.A NH2 LEU 233.A O no hydrogen 2.713 N/A TYR 206.A N SER 203.A OG no hydrogen 2.891 N/A LYS 208.A N VAL 201.A O no hydrogen 2.917 N/A PHE 210.A N VAL 199.A O no hydrogen 2.733 N/A LYS 211.A NZ ASP 196.A OD1 no hydrogen 2.987 N/A GLU 213.A N HIS 181.A ND1 no hydrogen 2.772 N/A CYS 217.A N GLU 224.A O no hydrogen 3.337 N/A VAL 220.A N GLN 223.A O no hydrogen 3.051 N/A ARG 221.A NE CYS 90.A O no hydrogen 2.911 N/A ARG 221.A NE ALA 135.A O no hydrogen 3.256 N/A ARG 221.A NH2 ALA 135.A O no hydrogen 2.737 N/A GLN 223.A N VAL 220.A O no hydrogen 3.092 N/A ARG 226.A N HIS 181.A O no hydrogen 2.900 N/A ARG 226.A NH1 PRO 218.A O no hydrogen 3.497 N/A ARG 226.A NH1 GLN 223.A O no hydrogen 3.487 N/A ARG 226.A NH1 GLY 225.A O no hydrogen 2.884 N/A ARG 226.A NH2 PRO 218.A O no hydrogen 2.839 N/A MET 227.A N PRO 92.A O no hydrogen 2.847 N/A ASN 228.A N ILE 179.A O no hydrogen 3.113 N/A TYR 229.A N ASP 94.A O no hydrogen 2.929 N/A TYR 229.A OH TYR 91.A O no hydrogen 2.476 N/A TYR 229.A OH TYR 145.A OH no hydrogen 2.553 N/A TYR 230.A N TRP 177.A O no hydrogen 3.047 N/A TRP 231.A NE1 ILE 96.A O no hydrogen 3.019 N/A THR 232.A N VAL 175.A O no hydrogen 3.223 N/A VAL 234.A N VAL 173.A O no hydrogen 2.848 N/A GLY 237.A N ASN 167.A O no hydrogen 2.922 N/A ASP 238.A N GLU 235.A O no hydrogen 2.998 N/A ILE 240.A N TYR 165.A O no hydrogen 3.064 N/A THR 241.A N CYS 202.A O no hydrogen 2.963 N/A THR 241.A OG1 SER 164.A OG no hydrogen 2.691 N/A PHE 242.A N LYS 163.A O no hydrogen 2.734 N/A GLU 243.A N PHE 200.A O no hydrogen 2.878 N/A ALA 244.A N LEU 161.A O no hydrogen 2.942 N/A THR 245.A N TYR 198.A O no hydrogen 3.091 N/A THR 245.A OG1 TYR 198.A O no hydrogen 3.478 N/A ASN 247.A ND2 HIS 180.A O no hydrogen 3.045 N/A ASN 247.A ND2 GLN 188.A OE1 no hydrogen 2.884 N/A VAL 249.A N GLY 178.A O no hydrogen 2.671 N/A ARG 252.A N ASN 147.A O no hydrogen 3.025 N/A ARG 252.A NE GLU 115.A OE2 no hydrogen 2.759 N/A ARG 252.A NH2 GLU 115.A OE2 no hydrogen 3.107 N/A TYR 253.A N ASN 147.A O no hydrogen 2.912 N/A ALA 254.A N PHE 114.A O no hydrogen 2.893 N/A PHE 255.A N LEU 174.A O no hydrogen 3.093 N/A ALA 256.A N GLU 112C.A O no hydrogen 2.928 N/A MET 257.A N GLU 172.A O no hydrogen 2.943 N/A GLU 258.A N SER 110A.A O no hydrogen 3.125 N/A ARG 259.A NH1 GLU 172.A OE2 no hydrogen 3.181 N/A ASN 260.A N SER 107.A O no hydrogen 3.082 N/A SER 263.A OG SER 77.A O no hydrogen 2.575 N/A SER 263.A OG SER 106.A O no hydrogen 3.360 N/A ILE 266.A N ILE 79.A O no hydrogen 2.918 N/A SER 268.A N GLU 81.A O no hydrogen 2.857 N/A SER 268.A OG THR 270.A OG1 no hydrogen 2.917 N/A SER 268.A OG PRO 282.A O no hydrogen 2.634 N/A THR 270.A N SER 268.A OG no hydrogen 2.912 N/A THR 270.A OG1 SER 268.A OG no hydrogen 2.917 N/A THR 270.A OG1 PRO 282.A O no hydrogen 3.389 N/A HIS 273.A N LEU 41.A O no hydrogen 3.057 N/A THR 277.A N LYS 43.A O no hydrogen 3.037 N/A THR 277.A OG1 CYS 279.A O no hydrogen 3.127 N/A THR 278.A OG1 THR 288.A OG1 no hydrogen 3.343 N/A CYS 279.A N THR 277.A OG1 no hydrogen 3.158 N/A GLN 280.A N ILE 300.A O no hydrogen 2.911 N/A GLN 280.A NE2 LYS 40.A O no hydrogen 2.976 N/A GLN 280.A NE2 THR 281.A O no hydrogen 3.023 N/A LYS 283.A NZ ILE 295.A O no hydrogen 3.146 N/A GLY 284.A N THR 281.A O no hydrogen 2.977 N/A ALA 285.A N ASN 38.A OD1 no hydrogen 2.953 N/A ILE 286.A N CYS 279.A O no hydrogen 3.246 N/A THR 288.A OG1 THR 278.A OG1 no hydrogen 3.343 N/A GLN 293.A N LYS 305.A O no hydrogen 2.910 N/A GLN 293.A NE2 HIS 296.A O no hydrogen 2.946 N/A ASN 294.A N GLU 34.A O no hydrogen 3.274 N/A ASN 294.A ND2 SER 309.A O no hydrogen 3.040 N/A ILE 295.A N GLN 293.A OE1 no hydrogen 2.828 N/A HIS 296.A N GLN 293.A OE1 no hydrogen 3.240 N/A HIS 296.A ND1 ILE 298.A O no hydrogen 3.244 N/A ILE 298.A N HIS 296.A ND1 no hydrogen 3.156 N/A ILE 300.A N GLN 280.A O no hydrogen 3.005 N/A CYS 303.A SG THR 299.A OG1 no hydrogen 3.310 N/A CYS 303.A SG GLY 301.A O no hydrogen 3.592 N/A LYS 305.A N PRO 291.A O no hydrogen 2.896 N/A VAL 307.A N GLN 293.A O no hydrogen 2.901 N/A LYS 311.A NZ THR 15.A O no hydrogen 3.254 N/A ARG 313.A NH2 ASP 14.A OD2 no hydrogen 3.013 N/A LEU 314.A N VAL 30.A O no hydrogen 2.791 N/A THR 316.A N HIS 28.A O no hydrogen 3.014 N/A GLY 317.A N HIS 28.A O no hydrogen 2.893 N/A LEU 318.A N THR 27.A OG1 no hydrogen 3.064 N/A ASN 320.A N THR 25.A O no hydrogen 2.932 N/A ASN 320.A ND2 ASN 10.A O no hydrogen 2.771 N/A ASN 320.A ND2 SER 12.A O no hydrogen 3.309 N/A LYS 130A.A N ASP 127.A OD2 no hydrogen 3.040 N/A GLY 264A.A N SER 263.A OG no hydrogen 2.637 N/A GLU 112C.A N ALA 256.A O no hydrogen 2.856 N/A