Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w81_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 213.A OD1 no hydrogen 2.759 N/A ARG 4.A N GLN 295.A OE1 no hydrogen 3.061 N/A LYS 5.A NZ.A VAL 127.A O no hydrogen 3.461 N/A LYS 5.A NZ.A GLU 286.A O no hydrogen 2.717 N/A LYS 5.A NZ.A GLU 291.A OE1 no hydrogen 3.377 N/A LYS 5.A NZ.A GLU 291.A OE2 no hydrogen 2.710 N/A LYS 5.A NZ.B VAL 127.A O no hydrogen 3.239 N/A LYS 5.A NZ.B GLU 291.A OE2 no hydrogen 3.403 N/A GLN 8.A N ASN 112.A OD1 no hydrogen 3.203 N/A GLN 8.A NE2 ILE 151.A O no hydrogen 2.652 N/A SER 10.A OG GLU 14.A OE1 no hydrogen 2.625 N/A VAL 13.A N SER 10.A O no hydrogen 2.935 N/A GLU 14.A N SER 10.A O no hydrogen 3.003 N/A CYS 16.A N VAL 13.A O no hydrogen 2.888 N/A CYS 16.A SG VAL 12.A O no hydrogen 3.843 N/A ILE 17.A N GLU 14.A O no hydrogen 3.415 N/A VAL 18.A N GLY 29.A O no hydrogen 2.993 N/A ARG 19.A N SER 68.A O no hydrogen 2.862 N/A ARG 19.A NE ASP 118.A OD1.B no hydrogen 2.706 N/A VAL 20.A N LEU 27.A O no hydrogen 2.922 N/A CYS 21.A N SER 66.A O no hydrogen 2.906 N/A CYS 21.A SG.A GLY 23.A O no hydrogen 3.329 N/A CYS 21.A SG.A MET 25.A O no hydrogen 3.393 N/A TYR 22.A N MET 25.A O no hydrogen 2.852 N/A GLY 23.A N ASN 64.A O no hydrogen 3.451 N/A GLY 23.A N ASN 64.A OD1 no hydrogen 2.880 N/A MET 25.A N TYR 22.A O no hydrogen 3.070 N/A LEU 27.A N VAL 20.A O no hydrogen 2.848 N/A ASN 28.A N CYS 144.A O no hydrogen 2.987 N/A ASN 28.A ND2 CYS 116.A O no hydrogen 3.029 N/A ASN 28.A ND2 GLY 142.A O no hydrogen 2.936 N/A ASN 28.A ND2 CYS 144.A O no hydrogen 3.023 N/A GLY 29.A N VAL 18.A O no hydrogen 2.835 N/A LEU 30.A N ILE 37.A O no hydrogen 2.907 N/A TRP 31.A N CYS 16.A O no hydrogen 2.721 N/A TRP 31.A NE1 GLN 92.A O no hydrogen 3.284 N/A LEU 32.A N THR 35.A O no hydrogen 2.964 N/A GLY 33.A N THR 97.A OG1 no hydrogen 2.949 N/A THR 35.A N LEU 32.A O no hydrogen 3.071 N/A THR 35.A OG1.A LEU 32.A O no hydrogen 2.862 N/A VAL 36.A N ILE 88.A O no hydrogen 2.747 N/A ILE 37.A N LEU 30.A O no hydrogen 2.902 N/A CYS 38.A N LEU 86.A O no hydrogen 3.289 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.614 N/A ARG 40.A N ALA 84.A O no hydrogen 3.054 N/A ARG 40.A NE ASP 186.A OD1 no hydrogen 2.735 N/A ARG 40.A NH2 ASP 186.A OD2 no hydrogen 3.124 N/A HIS 41.A NE2 GLN 163.A O no hydrogen 2.973 N/A VAL 42.A N PRO 39.A O no hydrogen 3.351 N/A ILE 43.A N ARG 40.A O no hydrogen 3.040 N/A ALA 44.A N HIS 41.A O no hydrogen 3.101 N/A SER 46.A OG THR 48.A O no hydrogen 2.867 N/A ILE 51.A N GLN 187.A OE1 no hydrogen 2.639 N/A TYR 53.A OH ASP 186.A O no hydrogen 2.631 N/A TYR 55.A N ASP 52.A OD1 no hydrogen 3.005 N/A ALA 56.A N ASP 52.A O no hydrogen 3.049 N/A LEU 57.A N TYR 53.A O no hydrogen 2.917 N/A SER 58.A N ASP 54.A O no hydrogen 2.991 N/A SER 58.A OG TYR 55.A O no hydrogen 2.622 N/A VAL 59.A N TYR 55.A O no hydrogen 3.121 N/A VAL 59.A N ALA 56.A O no hydrogen 3.299 N/A LEU 60.A N LEU 57.A O no hydrogen 3.165 N/A ARG 61.A N TYR 22.A OH no hydrogen 2.908 N/A ASN 64.A N ARG 61.A O no hydrogen 2.747 N/A PHE 65.A N LEU 62.A O no hydrogen 3.026 N/A SER 66.A N CYS 21.A O no hydrogen 2.847 N/A SER 68.A N ARG 19.A O no hydrogen 3.037 N/A SER 69.A N VAL 72.A O no hydrogen 2.770 N/A VAL 72.A N SER 69.A O no hydrogen 2.938 N/A LEU 74.A N ILE 67.A O no hydrogen 2.900 N/A GLY 75.A N ASN 91.A OD1 no hydrogen 3.018 N/A VAL 77.A N LYS 89.A O no hydrogen 2.739 N/A GLY 78.A N LYS 89.A O no hydrogen 3.368 N/A THR 80.A N GLN 87.A O no hydrogen 3.069 N/A ARG 82.A N LEU 85.A O no hydrogen 2.801 N/A ARG 82.A NH1 TYR 102.A OH no hydrogen 3.137 N/A ARG 82.A NH1 LEU 176.A O no hydrogen 3.028 N/A ARG 82.A NH2 GLN 87.A OE1 no hydrogen 2.881 N/A ALA 84.A N GLY 178.A O no hydrogen 2.919 N/A LEU 85.A N ARG 82.A O no hydrogen 2.902 N/A LEU 86.A N CYS 38.A O no hydrogen 2.810 N/A GLN 87.A N THR 80.A O no hydrogen 2.875 N/A ILE 88.A N VAL 36.A O no hydrogen 2.777 N/A LYS 89.A N GLY 78.A O no hydrogen 2.874 N/A LYS 89.A NZ ASP 34.A OD1 no hydrogen 2.982 N/A VAL 90.A N ASP 34.A O no hydrogen 2.999 N/A ASN 91.A N GLY 75.A O no hydrogen 2.962 N/A ASN 94.A N GLY 33.A O no hydrogen 2.882 N/A ASN 94.A ND2 LYS 15.A O no hydrogen 3.274 N/A ASN 94.A ND2 TRP 31.A O no hydrogen 2.836 N/A HIS 96.A N ASN 94.A OD1 no hydrogen 2.941 N/A THR 97.A N ASN 94.A O no hydrogen 3.055 N/A THR 97.A OG1 ASN 94.A O no hydrogen 2.627 N/A THR 101.A N VAL 156.A O no hydrogen 2.847 N/A ARG 103.A N PHE 158.A O no hydrogen 2.971 N/A ARG 103.A NE GLU 157.A OE1 no hydrogen 2.924 N/A ARG 103.A NE GLU 157.A OE2 no hydrogen 3.220 N/A ARG 103.A NH1 GLU 109.A OE1 no hydrogen 3.172 N/A ARG 103.A NH2 GLU 109.A OE1 no hydrogen 2.923 N/A THR 104.A OG1 ASP 175.A OD2 no hydrogen 2.643 N/A VAL 105.A N TYR 181.A OH no hydrogen 3.011 N/A ARG 106.A N.A GLU 109.A OE1 no hydrogen 3.159 N/A ARG 106.A N.B GLU 109.A OE1 no hydrogen 3.158 N/A GLY 108.A N MET 129.A O no hydrogen 2.694 N/A GLU 109.A N ARG 106.A O.A no hydrogen 3.121 N/A GLU 109.A N ARG 106.A O.B no hydrogen 3.167 N/A SER 110.A OG GLU 286.A O no hydrogen 3.488 N/A SER 110.A OG GLU 291.A OE1 no hydrogen 2.646 N/A PHE 111.A N VAL 127.A O no hydrogen 3.060 N/A ASN 112.A N TYR 149.A O no hydrogen 2.801 N/A ASN 112.A ND2 GLN 8.A OE1 no hydrogen 3.054 N/A ASN 112.A ND2 TYR 149.A O no hydrogen 2.910 N/A ILE 113.A N TYR 125.A O no hydrogen 2.777 N/A LEU 114.A N PRO 147.A O no hydrogen 2.969 N/A ALA 115.A N GLY 123.A O no hydrogen 2.791 N/A CYS 116.A N SER 146.A OG no hydrogen 2.845 N/A CYS 116.A SG LEU 114.A O no hydrogen 3.347 N/A TYR 117.A N SER 120.A O no hydrogen 3.016 N/A GLY 119.A N ASN 28.A OD1 no hydrogen 2.836 N/A SER 120.A N TYR 117.A O no hydrogen 3.041 N/A ALA 122.A N ALA 115.A O no hydrogen 2.726 N/A GLY 123.A N ALA 115.A O no hydrogen 3.214 N/A TYR 125.A N ILE 113.A O no hydrogen 3.088 N/A TYR 125.A OH SER 138.A O no hydrogen 3.143 N/A VAL 127.A N PHE 111.A O no hydrogen 2.810 N/A ASN 128.A ND2 GLY 108.A O no hydrogen 2.954 N/A ASN 128.A ND2 SER 110.A OG no hydrogen 2.805 N/A MET 129.A N GLU 109.A O no hydrogen 2.924 N/A ARG 130.A N THR 134.A O no hydrogen 2.953 N/A ARG 130.A NH1 THR 134.A OG1 no hydrogen 3.292 N/A ASN 132.A ND2 GLY 194.A O no hydrogen 2.801 N/A TYR 133.A N ARG 130.A O no hydrogen 2.887 N/A THR 134.A N ASN 132.A OD1 no hydrogen 3.222 N/A THR 134.A OG1 ASN 132.A OD1 no hydrogen 2.806 N/A ILE 135.A N HIS 171.A O no hydrogen 3.015 N/A ARG 136.A NE GLU 286.A OE1 no hydrogen 2.622 N/A ARG 136.A NH2 GLU 286.A OE2 no hydrogen 2.848 N/A SER 138.A N TYR 125.A OH no hydrogen 2.943 N/A ILE 140.A N TYR 117.A OH no hydrogen 2.925 N/A ALA 143.A N ILE 140.A O no hydrogen 3.238 N/A CYS 144.A SG HIS 41.A NE2 no hydrogen 3.738 N/A CYS 144.A SG GLN 163.A O no hydrogen 3.334 N/A GLY 145.A N HIS 162.A O no hydrogen 2.792 N/A SER 146.A N ALA 143.A O no hydrogen 2.938 N/A SER 146.A OG ALA 143.A O no hydrogen 2.663 N/A GLY 148.A N TYR 160.A O no hydrogen 2.815 N/A TYR 149.A N ASN 112.A O no hydrogen 2.807 N/A TYR 149.A OH GLN 8.A O no hydrogen 2.798 N/A ASN 150.A N GLU 157.A O no hydrogen 2.854 N/A ASN 150.A ND2 SER 110.A O no hydrogen 3.054 N/A ILE 151.A N GLN 8.A OE1 no hydrogen 2.800 N/A ASN 152.A N THR 155.A O no hydrogen 2.913 N/A THR 155.A N ASN 152.A O no hydrogen 2.884 N/A VAL 156.A N LYS 99.A O no hydrogen 2.882 N/A GLU 157.A N ASN 150.A O no hydrogen 2.744 N/A PHE 158.A N THR 101.A O no hydrogen 2.864 N/A CYS 159.A N GLY 148.A O no hydrogen 2.920 N/A TYR 160.A OH HIS 162.A ND1 no hydrogen 2.883 N/A LEU 161.A N SER 174.A O no hydrogen 2.819 N/A HIS 162.A N SER 146.A O no hydrogen 2.853 N/A HIS 162.A ND1 TYR 160.A OH no hydrogen 2.883 N/A GLN 163.A N VAL 172.A O no hydrogen 2.915 N/A GLN 163.A NE2 ALA 84.A O no hydrogen 2.994 N/A GLN 163.A NE2 SER 174.A OG no hydrogen 3.224 N/A LEU 164.A N VAL 172.A O no hydrogen 2.999 N/A LEU 166.A N CYS 170.A O no hydrogen 2.927 N/A SER 168.A OG GLU 193.A OE2 no hydrogen 2.515 N/A GLY 169.A N LEU 166.A O no hydrogen 2.754 N/A CYS 170.A SG.A SER 168.A OG no hydrogen 3.520 N/A CYS 170.A SG.B SER 168.A OG no hydrogen 3.167 N/A CYS 170.A SG.B GLU 193.A OE2 no hydrogen 3.657 N/A HIS 171.A N ILE 135.A O no hydrogen 3.118 N/A HIS 171.A NE2 GLU 165.A OE1 no hydrogen 2.914 N/A VAL 172.A N LEU 164.A O no hydrogen 2.895 N/A SER 174.A N LEU 161.A O no hydrogen 3.044 N/A SER 174.A OG ASP 175.A O no hydrogen 3.031 N/A ASP 175.A N VAL 179.A O no hydrogen 3.019 N/A ASP 177.A N ASP 175.A OD1 no hydrogen 2.992 N/A GLY 178.A N ASP 175.A O no hydrogen 2.928 N/A VAL 179.A N ASP 175.A OD1 no hydrogen 2.876 N/A TYR 181.A N GLY 173.A O no hydrogen 2.933 N/A TYR 181.A OH CYS 159.A O no hydrogen 2.549 N/A GLY 183.A N MET 180.A O no hydrogen 3.189 N/A TYR 184.A OH ASN 132.A O no hydrogen 2.747 N/A GLU 185.A N GLN 191.A OE1 no hydrogen 3.009 N/A GLN 187.A NE2 ILE 51.A O no hydrogen 2.906 N/A GLN 191.A NE2 GLU 185.A O no hydrogen 2.797 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.607 N/A SER 197.A N SER 131.A OG no hydrogen 3.182 N/A LEU 198.A N GLY 237.A O no hydrogen 3.029 N/A PHE 199.A N ASP 285.A OD1 no hydrogen 2.875 N/A THR 200.A N THR 239.A OG1 no hydrogen 2.900 N/A THR 200.A OG1 THR 239.A O no hydrogen 2.543 N/A ASN 202.A N PHE 199.A O no hydrogen 3.012 N/A ASN 202.A ND2 GLY 108.A O no hydrogen 3.032 N/A ASN 202.A ND2 ASP 285.A O no hydrogen 2.843 N/A VAL 203.A N PHE 199.A O no hydrogen 3.149 N/A LEU 204.A N THR 200.A O no hydrogen 2.832 N/A ALA 205.A N GLU 201.A O no hydrogen 3.085 N/A PHE 206.A N ASN 202.A O no hydrogen 2.958 N/A LEU 207.A N VAL 203.A O no hydrogen 2.970 N/A TYR 208.A N LEU 204.A O no hydrogen 2.985 N/A TYR 208.A OH VAL 256.A O no hydrogen 2.701 N/A ALA 209.A N ALA 205.A O no hydrogen 3.001 N/A ALA 210.A N PHE 206.A O no hydrogen 2.875 N/A LEU 211.A N LEU 207.A O no hydrogen 2.992 N/A ILE 212.A N TYR 208.A O no hydrogen 2.929 N/A ASN 213.A N ALA 209.A O no hydrogen 2.990 N/A ASN 213.A N ALA 210.A O no hydrogen 3.127 N/A ASN 213.A ND2 ALA 209.A O no hydrogen 2.981 N/A GLY 214.A N LEU 211.A O no hydrogen 2.770 N/A SER 215.A N ALA 210.A O no hydrogen 2.876 N/A TRP 217.A NE1 GLN 276.A O no hydrogen 3.244 N/A TRP 218.A NE1 SER 215.A OG no hydrogen 3.076 N/A LEU 219.A N THR 216.A O no hydrogen 3.029 N/A SER 220.A N SER 264.A OG no hydrogen 3.194 N/A ILE 224.A N GLN 259.A O no hydrogen 3.141 N/A PHE 229.A N ALA 225.A O no hydrogen 2.878 N/A ASN 230.A N VAL 226.A O no hydrogen 2.900 N/A ASN 230.A ND2 VAL 241.A O no hydrogen 3.194 N/A GLU 231.A N ASP 227.A O no hydrogen 3.241 N/A TRP 232.A N ARG 228.A O no hydrogen 3.227 N/A ALA 233.A N PHE 229.A O no hydrogen 2.740 N/A VAL 234.A N ASN 230.A O no hydrogen 3.380 N/A HIS 235.A N TRP 232.A O no hydrogen 3.061 N/A ASN 236.A N ALA 233.A O no hydrogen 2.971 N/A ASN 236.A ND2 TRP 232.A O no hydrogen 2.892 N/A MET 238.A N ALA 233.A O no hydrogen 3.144 N/A THR 239.A N LEU 198.A O no hydrogen 2.877 N/A THR 239.A OG1 LEU 198.A O no hydrogen 3.294 N/A VAL 241.A N ASN 230.A OD1 no hydrogen 2.873 N/A ASP 245.A N ASN 243.A OD1 no hydrogen 2.932 N/A PHE 247.A N THR 244.A O no hydrogen 3.018 N/A SER 248.A OG ASP 245.A O no hydrogen 2.982 N/A ALA 251.A N PHE 247.A O no hydrogen 2.690 N/A ALA 252.A N SER 248.A O no hydrogen 3.078 N/A LYS 253.A N ILE 249.A O no hydrogen 2.762 N/A THR 254.A N LEU 250.A O no hydrogen 3.185 N/A THR 254.A OG1 LEU 250.A O no hydrogen 3.032 N/A GLY 255.A N ALA 251.A O no hydrogen 2.933 N/A GLY 255.A N ALA 252.A O no hydrogen 3.293 N/A VAL 256.A N THR 254.A OG1 no hydrogen 3.318 N/A ARG 260.A N ASP 257.A O no hydrogen 3.081 N/A ARG 260.A NE SER 220.A O no hydrogen 3.399 N/A ARG 260.A NH2 SER 220.A O no hydrogen 3.423 N/A LEU 261.A N ASP 257.A O no hydrogen 3.331 N/A LEU 262.A N VAL 258.A O no hydrogen 2.799 N/A ALA 263.A N GLN 259.A O no hydrogen 3.207 N/A SER 264.A N ARG 260.A O no hydrogen 3.058 N/A SER 264.A OG ARG 260.A O no hydrogen 2.971 N/A ILE 265.A N LEU 261.A O no hydrogen 2.781 N/A GLN 266.A N LEU 262.A O no hydrogen 3.234 N/A SER 267.A N ALA 263.A O no hydrogen 3.367 N/A SER 267.A OG SER 264.A O no hydrogen 2.810 N/A LEU 268.A N SER 264.A O no hydrogen 2.949 N/A HIS 269.A N ILE 265.A O no hydrogen 2.838 N/A GLY 273.A N ASN 271.A OD1 no hydrogen 2.369 N/A LYS 275.A N PHE 272.A O no hydrogen 2.936 N/A ILE 277.A N TYR 280.A O no hydrogen 2.991 N/A TYR 280.A N ILE 277.A O no hydrogen 3.031 N/A GLU 286.A N THR 284.A OG1 no hydrogen 3.189 N/A THR 288.A N GLU 291.A OE1 no hydrogen 2.911 N/A THR 288.A OG1 GLU 291.A OE1 no hydrogen 3.246 N/A GLU 291.A N THR 288.A OG1 no hydrogen 3.132 N/A VAL 292.A N THR 288.A O no hydrogen 2.966 N/A ILE 293.A N THR 289.A O no hydrogen 2.871 N/A ARG 294.A N GLY 290.A O no hydrogen 3.017 N/A GLN 295.A N GLU 291.A O no hydrogen 2.891 N/A GLN 295.A NE2 ARG 4.A O no hydrogen 2.687 N/A MET 296.A N VAL 292.A O no hydrogen 2.788 N/A TYR 297.A N ILE 293.A O no hydrogen 2.864 N/A GLY 298.A N ARG 294.A O no hydrogen 2.909 N/A