Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2okt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 82.A OE2 no hydrogen 3.485 N/A LEU 2.A N PHE 81.A O no hydrogen 2.912 N/A LYS 3.A N ASP 40.A OD1 no hydrogen 3.164 N/A THR 5.A N ILE 38.A O no hydrogen 2.786 N/A THR 5.A OG1.B ILE 38.A O no hydrogen 3.062 N/A THR 5.A OG1.B ASP 39.A O no hydrogen 3.048 N/A ALA 6.A N ILE 38.A O no hydrogen 3.190 N/A HIS 8.A N GLU 36.A O no hydrogen 2.934 N/A TYR 10.A N PHE 34.A O no hydrogen 2.883 N/A TYR 10.A OH GLU 36.A OE1 no hydrogen 2.619 N/A LYS 11.A N GLN 332.A O no hydrogen 2.798 N/A LYS 11.A NZ ASP 31.A OD1 no hydrogen 2.872 N/A LYS 11.A NZ GLN 53.A OE1.B no hydrogen 3.329 N/A TYR 12.A N CYS 32.A O no hydrogen 2.988 N/A SER 13.A OG ASP 31.A OD1 no hydrogen 2.626 N/A GLU 14.A N.A TYR 276.A OH no hydrogen 2.976 N/A GLU 14.A N.B TYR 276.A OH no hydrogen 2.973 N/A PHE 16.A N THR 28.A O no hydrogen 2.942 N/A LYS 17.A N TYR 302.A O no hydrogen 2.833 N/A LYS 17.A NZ GLY 300.A O no hydrogen 2.720 N/A ILE 20.A N LEU 27.A O no hydrogen 3.003 N/A THR 22.A N VAL 25.A O no hydrogen 2.927 N/A THR 22.A OG1 VAL 25.A O no hydrogen 3.294 N/A LYS 24.A N THR 22.A OG1 no hydrogen 3.289 N/A VAL 25.A N THR 22.A O no hydrogen 3.249 N/A VAL 25.A N THR 22.A OG1 no hydrogen 3.225 N/A LEU 27.A N ILE 20.A O no hydrogen 2.894 N/A THR 28.A OG1 HIS 29.A ND1 no hydrogen 2.742 N/A HIS 29.A ND1 THR 28.A OG1 no hydrogen 2.742 N/A ARG 30.A N GLU 14.A O.A no hydrogen 2.976 N/A ARG 30.A N GLU 14.A O.B no hydrogen 3.016 N/A ARG 30.A NE.A TYR 274.A O no hydrogen 2.930 N/A ARG 30.A NE.B ASP 31.A O no hydrogen 2.984 N/A ARG 30.A NH1.A ASP 31.A O no hydrogen 2.830 N/A ARG 30.A NH1.A ALA 51.A O no hydrogen 3.064 N/A ARG 30.A NH1.B TYR 274.A O no hydrogen 2.798 N/A ARG 30.A NH2.B CYS 49.A O no hydrogen 3.085 N/A ARG 30.A NH2.B ALA 51.A O no hydrogen 3.147 N/A CYS 32.A N TYR 12.A O no hydrogen 2.812 N/A CYS 32.A SG LEU 33.A O no hydrogen 3.703 N/A CYS 32.A SG CYS 49.A O no hydrogen 3.254 N/A PHE 34.A N TYR 10.A O no hydrogen 2.896 N/A ILE 35.A N GLY 47.A O no hydrogen 2.905 N/A GLU 36.A N HIS 8.A O no hydrogen 2.895 N/A LEU 37.A N TYR 45.A O no hydrogen 2.856 N/A ILE 38.A N ALA 6.A O no hydrogen 2.878 N/A ASP 39.A N ASN 43.A O no hydrogen 2.975 N/A LYS 41.A N ASP 39.A OD1 no hydrogen 2.894 N/A LYS 41.A NZ.B ASP 39.A OD2 no hydrogen 3.112 N/A GLY 42.A N ASP 39.A O no hydrogen 3.002 N/A ASN 43.A N ASP 39.A OD1 no hydrogen 2.908 N/A ASN 43.A ND2 ASP 39.A OD2 no hydrogen 3.378 N/A TYR 45.A N LEU 37.A O no hydrogen 2.853 N/A GLY 47.A N ILE 35.A O no hydrogen 2.922 N/A CYS 49.A N LEU 33.A O no hydrogen 2.990 N/A ASN 50.A ND2 ASN 50.A O no hydrogen 2.880 N/A ASN 50.A ND2 MET 273.A O no hydrogen 3.038 N/A GLN 53.A NE2.B GLN 53.A O no hydrogen 3.623 N/A GLU 60.A N ASP 58.A OD2 no hydrogen 3.069 N/A THR 61.A N SER 64.A OG no hydrogen 2.917 N/A ILE 62.A N PHE 52.A O no hydrogen 2.894 N/A SER 64.A N THR 61.A OG1 no hydrogen 3.163 N/A SER 64.A OG THR 61.A O no hydrogen 3.208 N/A VAL 65.A N THR 61.A O no hydrogen 2.919 N/A LYS 66.A N ILE 62.A O no hydrogen 2.939 N/A LYS 66.A NZ GLU 70.A OE1 no hydrogen 2.741 N/A LYS 66.A NZ GLU 335.A OE1 no hydrogen 3.388 N/A LYS 66.A NZ GLU 335.A OE2 no hydrogen 2.709 N/A HIS 67.A N ALA 63.A O no hydrogen 3.154 N/A VAL 68.A N SER 64.A O no hydrogen 3.061 N/A ILE 69.A N VAL 65.A O no hydrogen 2.849 N/A GLU 70.A N LYS 66.A O no hydrogen 2.938 N/A GLN 71.A N HIS 67.A O no hydrogen 3.073 N/A GLN 71.A NE2 ASP 75.A OD1 no hydrogen 2.951 N/A TRP 72.A N VAL 68.A O no hydrogen 2.882 N/A TRP 72.A NE1 LEU 90.A O no hydrogen 2.950 N/A PHE 73.A N ILE 69.A O no hydrogen 2.865 N/A GLU 74.A N GLU 70.A O no hydrogen 3.082 N/A ASP 75.A N GLN 71.A O no hydrogen 2.989 N/A ASN 76.A N PHE 73.A O no hydrogen 3.210 N/A ASN 76.A ND2 TRP 72.A O no hydrogen 2.964 N/A ARG 77.A N PHE 73.A O no hydrogen 2.835 N/A ARG 77.A NH1 GLU 74.A OE2 no hydrogen 2.839 N/A ASN 78.A N LEU 4.A O no hydrogen 2.854 N/A LYS 79.A N ASN 76.A O no hydrogen 3.358 N/A LYS 79.A NZ ASP 75.A O no hydrogen 3.123 N/A LYS 79.A NZ ASN 76.A OD1 no hydrogen 2.881 N/A PHE 81.A N LEU 2.A O no hydrogen 2.863 N/A ALA 86.A N THR 83.A OG1 no hydrogen 3.014 N/A ALA 87.A N THR 83.A O no hydrogen 2.977 N/A LEU 88.A N TYR 84.A O no hydrogen 2.935 N/A LYS 89.A N GLU 85.A O no hydrogen 3.336 N/A LEU 90.A N ALA 87.A O no hydrogen 3.054 N/A VAL 91.A N LEU 88.A O no hydrogen 2.978 N/A ASP 92.A N LYS 89.A O no hydrogen 3.205 N/A LEU 94.A N VAL 91.A O no hydrogen 3.043 N/A GLU 95.A N ASP 92.A O no hydrogen 3.449 N/A THR 97.A N LEU 94.A O no hydrogen 2.930 N/A THR 97.A OG1 LEU 94.A O no hydrogen 3.183 N/A ALA 99.A N GLU 60.A OE2 no hydrogen 2.831 N/A ALA 100.A N GLU 60.A OE1 no hydrogen 3.251 N/A ARG 101.A N THR 97.A O no hydrogen 2.950 N/A ARG 101.A NE VAL 91.A O no hydrogen 3.323 N/A ARG 101.A NH1 GLY 249.A O no hydrogen 2.835 N/A ARG 101.A NH1 ASP 252.A OD1 no hydrogen 2.876 N/A ARG 101.A NH1 ASP 252.A OD2 no hydrogen 3.442 N/A ARG 101.A NH2 ASP 252.A OD2 no hydrogen 2.900 N/A ALA 102.A N PRO 98.A O no hydrogen 2.822 N/A THR 103.A N ALA 99.A O no hydrogen 3.329 N/A THR 103.A N ALA 100.A O no hydrogen 3.189 N/A THR 103.A OG1 ALA 99.A O no hydrogen 2.776 N/A ILE 104.A N ALA 100.A O no hydrogen 3.304 N/A VAL 105.A N ARG 101.A O no hydrogen 2.916 N/A MET 106.A N ALA 102.A O no hydrogen 2.964 N/A LEU 108.A N ILE 104.A O no hydrogen 2.916 N/A TYR 109.A N VAL 105.A O no hydrogen 2.813 N/A GLN 110.A N ALA 107.A O no hydrogen 3.145 N/A GLN 110.A NE2 PHE 46.A O no hydrogen 2.783 N/A GLN 110.A NE2 MET 106.A O no hydrogen 2.941 N/A MET 111.A N LEU 108.A O no hydrogen 3.014 N/A PHE 112.A N TYR 109.A O no hydrogen 3.190 N/A HIS 113.A ND1 TYR 109.A O no hydrogen 2.814 N/A SER 117.A OG.B PHE 321.A O no hydrogen 3.254 N/A PHE 118.A N PHE 321.A O no hydrogen 3.081 N/A VAL 120.A N LEU 319.A O no hydrogen 2.993 N/A TYR 122.A N GLY 317.A O no hydrogen 3.180 N/A ALA 124.A N ARG 144.A O no hydrogen 2.900 N/A ALA 126.A N LYS 146.A O no hydrogen 2.767 N/A GLN 133.A N SER 130.A OG no hydrogen 3.035 N/A GLN 133.A NE2 THR 125.A O no hydrogen 3.212 N/A LEU 134.A N SER 130.A O no hydrogen 2.824 N/A GLU 135.A N ASN 131.A O no hydrogen 2.831 N/A SER 136.A N LYS 132.A O no hydrogen 3.067 N/A LEU 137.A N GLN 133.A O no hydrogen 3.006 N/A LYS 138.A N LEU 134.A O no hydrogen 2.976 N/A LYS 138.A NZ.B GLU 135.A OE2 no hydrogen 2.683 N/A ALA 139.A N GLU 135.A O no hydrogen 3.000 N/A THR 140.A N SER 136.A O no hydrogen 2.944 N/A THR 140.A OG1 SER 136.A O no hydrogen 2.728 N/A LYS 141.A N LEU 137.A O no hydrogen 2.970 N/A ARG 144.A NH1.A PRO 293.A O no hydrogen 2.979 N/A ARG 144.A NH1.A ASP 295.A OD1.A no hydrogen 3.159 N/A ARG 144.A NH1.A ASP 295.A OD1.B no hydrogen 3.151 N/A ARG 144.A NH2.A PRO 293.A O no hydrogen 3.144 N/A ILE 145.A N GLN 168.A O no hydrogen 2.920 N/A LYS 146.A N ALA 124.A O no hydrogen 2.776 N/A LYS 146.A NZ GLU 197.A OE1 no hydrogen 3.194 N/A LYS 146.A NZ GLU 197.A OE2 no hydrogen 2.926 N/A LYS 146.A NZ ASP 295.A OD2.A no hydrogen 2.546 N/A LYS 146.A NZ ASP 295.A OD2.B no hydrogen 3.545 N/A LEU 147.A N VAL 170.A O no hydrogen 2.848 N/A LYS 148.A N ALA 126.A O no hydrogen 2.856 N/A TRP 149.A N ASP 172.A O no hydrogen 2.866 N/A GLN 152.A N THR 150.A OG1 no hydrogen 3.026 N/A ILE 153.A N THR 150.A O no hydrogen 3.093 N/A GLN 156.A N GLN 152.A O no hydrogen 2.884 N/A GLN 156.A N ILE 153.A O no hydrogen 3.221 N/A ILE 157.A N ILE 153.A O no hydrogen 2.898 N/A ARG 158.A N MET 154.A O no hydrogen 3.138 N/A ARG 158.A NE.A MET 154.A O no hydrogen 3.193 N/A LEU 160.A N GLN 156.A O no hydrogen 2.974 N/A ARG 161.A N ILE 157.A O no hydrogen 2.916 N/A ARG 161.A NH1 PHE 167.A O no hydrogen 3.071 N/A ARG 161.A NH2 GLU 191.A O no hydrogen 2.870 N/A GLU 162.A N VAL 159.A O no hydrogen 3.077 N/A LEU 163.A N LEU 160.A O no hydrogen 3.019 N/A PHE 165.A N LEU 163.A O no hydrogen 2.267 N/A GLN 168.A N THR 143.A O no hydrogen 2.941 N/A VAL 170.A N ILE 145.A O no hydrogen 2.939 N/A ILE 171.A N TYR 195.A O no hydrogen 3.192 N/A ASP 172.A N LEU 147.A O no hydrogen 2.994 N/A ALA 173.A N GLU 197.A O no hydrogen 2.971 N/A ASN 174.A N ASP 172.A OD1 no hydrogen 3.037 N/A GLU 175.A N GLU 198.A O no hydrogen 2.757 N/A SER 176.A N ALA 173.A O no hydrogen 2.985 N/A SER 176.A OG ALA 173.A O no hydrogen 2.607 N/A LEU 177.A N PRO 199.A O no hydrogen 2.919 N/A ASP 178.A N ASP 181.A OD2 no hydrogen 2.954 N/A ARG 179.A NE GLU 208.A OE1 no hydrogen 2.775 N/A GLN 180.A N ASP 178.A OD1 no hydrogen 2.931 N/A ASP 181.A N ASP 178.A O no hydrogen 2.930 N/A PHE 182.A N ARG 179.A O no hydrogen 3.341 N/A LEU 185.A N ASP 181.A O no hydrogen 2.878 N/A GLN 186.A N PHE 182.A O no hydrogen 2.902 N/A GLN 186.A NE2 THR 213.A OG1 no hydrogen 2.995 N/A LEU 187.A N THR 183.A O no hydrogen 3.052 N/A LEU 188.A N GLN 184.A O no hydrogen 2.826 N/A ALA 189.A N LEU 185.A O no hydrogen 3.267 N/A ALA 189.A N GLN 186.A O no hydrogen 3.234 N/A ARG 190.A N LEU 187.A O no hydrogen 3.076 N/A GLU 191.A N LEU 188.A O no hydrogen 3.003 N/A LEU 194.A N LEU 169.A O no hydrogen 2.790 N/A ILE 196.A N PRO 216.A O no hydrogen 2.823 N/A GLU 197.A N ILE 171.A O no hydrogen 2.786 N/A GLU 198.A N ALA 218.A O no hydrogen 2.983 N/A SER 204.A N ASP 202.A OD1 no hydrogen 3.060 N/A SER 204.A OG ASP 202.A OD1 no hydrogen 2.696 N/A SER 204.A OG ASP 202.A OD2 no hydrogen 3.205 N/A MET 205.A N ASP 202.A O no hydrogen 3.004 N/A LEU 206.A N ILE 203.A O no hydrogen 3.087 N/A ASP 207.A N SER 204.A O no hydrogen 3.108 N/A GLU 208.A N MET 205.A O no hydrogen 2.974 N/A VAL 209.A N LEU 206.A O no hydrogen 3.506 N/A THR 213.A N ALA 210.A O no hydrogen 3.114 N/A THR 213.A OG1 ALA 210.A O no hydrogen 2.604 N/A ALA 218.A N ILE 196.A O no hydrogen 2.875 N/A LEU 219.A N VAL 240.A O no hydrogen 2.933 N/A ASP 220.A N GLU 198.A OE2 no hydrogen 2.789 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.850 N/A LYS 222.A N GLU 198.A OE2 no hydrogen 2.941 N/A LYS 222.A NZ GLU 175.A OE2 no hydrogen 2.635 N/A LYS 222.A NZ GLU 198.A OE1 no hydrogen 2.739 N/A LYS 222.A NZ PHE 200.A O no hydrogen 2.820 N/A LYS 222.A NZ LYS 201.A O no hydrogen 3.344 N/A ALA 223.A N ASP 220.A O no hydrogen 2.912 N/A THR 224.A OG1 LYS 222.A O no hydrogen 3.555 N/A THR 224.A OG1 ASP 228.A OD1.B no hydrogen 2.663 N/A ASP 228.A N SER 225.A OG no hydrogen 3.029 N/A ILE 229.A N SER 225.A O no hydrogen 2.916 N/A ILE 230.A N LEU 226.A O no hydrogen 2.988 N/A ASN 231.A N LEU 227.A O no hydrogen 3.030 N/A ASN 231.A ND2 ASP 228.A OD1.A no hydrogen 3.463 N/A LEU 232.A N ASP 228.A O no hydrogen 3.001 N/A ILE 233.A N ILE 229.A O no hydrogen 2.947 N/A GLU 234.A N ILE 230.A O no hydrogen 2.995 N/A LEU 235.A N LEU 232.A O no hydrogen 3.186 N/A TYR 236.A N LEU 232.A O no hydrogen 2.900 N/A VAL 238.A N TYR 236.A O no hydrogen 2.857 N/A LYS 239.A N ILE 217.A O no hydrogen 2.981 N/A VAL 240.A N ILE 217.A O no hydrogen 3.081 N/A VAL 241.A N LYS 267.A O no hydrogen 2.843 N/A VAL 242.A N LEU 219.A O no hydrogen 2.867 N/A LEU 243.A N VAL 269.A O no hydrogen 2.810 N/A LYS 244.A NZ ASP 220.A OD1 no hydrogen 2.714 N/A ARG 247.A N LYS 244.A O no hydrogen 2.925 N/A ARG 247.A NE.B TYR 57.A OH no hydrogen 3.373 N/A ARG 247.A NH1.A ASP 220.A O no hydrogen 3.096 N/A ARG 247.A NH1.A GLU 221.A O no hydrogen 3.555 N/A ARG 247.A NH1.B THR 224.A O no hydrogen 3.323 N/A ARG 247.A NH2.A GLU 221.A O no hydrogen 3.246 N/A LEU 248.A N PRO 245.A O no hydrogen 2.990 N/A GLY 249.A N PHE 246.A O no hydrogen 3.182 N/A GLY 250.A N PRO 245.A O no hydrogen 3.024 N/A LYS 253.A N GLY 250.A O no hydrogen 2.982 N/A LYS 253.A NZ GLU 95.A OE1 no hydrogen 3.260 N/A VAL 254.A N ILE 251.A O no hydrogen 3.426 N/A GLN 255.A NE2 GLN 255.A O no hydrogen 3.435 N/A GLN 255.A NE2 ASP 259.A OD1 no hydrogen 2.927 N/A ALA 257.A N LYS 253.A O no hydrogen 3.222 N/A ILE 258.A N VAL 254.A O no hydrogen 2.930 N/A ASP 259.A N GLN 255.A O no hydrogen 2.893 N/A THR 260.A N THR 256.A O no hydrogen 2.985 N/A THR 260.A OG1 THR 256.A O no hydrogen 3.067 N/A LEU 261.A N ALA 257.A O no hydrogen 2.829 N/A LYS 262.A N ILE 258.A O no hydrogen 2.888 N/A LYS 262.A NZ ASP 291.A OD1 no hydrogen 2.614 N/A SER 263.A N ASP 259.A O no hydrogen 3.072 N/A SER 263.A OG THR 260.A O no hydrogen 2.652 N/A HIS 264.A N THR 260.A O no hydrogen 3.288 N/A HIS 264.A N LEU 261.A O no hydrogen 3.073 N/A HIS 264.A ND1 GLU 234.A OE2.A no hydrogen 2.609 N/A GLY 265.A N LYS 262.A O no hydrogen 3.038 N/A ALA 266.A N LEU 261.A O no hydrogen 3.046 N/A LYS 267.A N LYS 239.A O no hydrogen 2.858 N/A LYS 267.A NZ TYR 292.A OH no hydrogen 3.441 N/A VAL 268.A N ASP 291.A OD2 no hydrogen 2.854 N/A VAL 269.A N VAL 241.A O no hydrogen 2.939 N/A GLY 271.A N LEU 243.A O no hydrogen 2.982 N/A TYR 276.A N GLU 48.A OE2 no hydrogen 2.833 N/A TYR 276.A OH ARG 30.A O no hydrogen 2.614 N/A GLY 277.A N ASP 306.A OD1 no hydrogen 2.818 N/A SER 279.A N GLU 48.A OE1 no hydrogen 2.849 N/A SER 279.A OG GLU 275.A OE2 no hydrogen 2.629 N/A ARG 280.A N TYR 276.A O no hydrogen 3.060 N/A ARG 280.A NH1 ASP 306.A OD2 no hydrogen 3.272 N/A ARG 280.A NH1 SER 311.A O no hydrogen 2.858 N/A ARG 280.A NH2 GLU 275.A O no hydrogen 2.945 N/A ARG 280.A NH2 ASP 306.A OD2 no hydrogen 2.868 N/A TYR 281.A N GLY 277.A O no hydrogen 3.441 N/A TYR 281.A OH PRO 116.A O no hydrogen 2.607 N/A THR 283.A N SER 279.A O no hydrogen 3.009 N/A THR 283.A OG1 GLU 275.A OE2 no hydrogen 2.565 N/A THR 283.A OG1 SER 279.A O no hydrogen 3.307 N/A ALA 284.A N ARG 280.A O no hydrogen 2.954 N/A MET 285.A N TYR 281.A O no hydrogen 2.878 N/A LEU 286.A N PHE 282.A O no hydrogen 3.150 N/A ALA 287.A N ALA 284.A O no hydrogen 3.038 N/A LYS 289.A N LEU 286.A O no hydrogen 2.924 N/A LYS 289.A NZ GLN 255.A OE1 no hydrogen 2.821 N/A GLY 290.A N ALA 287.A O no hydrogen 3.097 N/A ASP 291.A N VAL 268.A O no hydrogen 2.821 N/A ASP 295.A N ILE 270.A O no hydrogen 2.721 N/A ALA 299.A N GLY 312.A O no hydrogen 2.863 N/A TYR 301.A N PRO 298.A O no hydrogen 3.221 N/A GLN 305.A N GLU 14.A OE1.B no hydrogen 3.050 N/A VAL 308.A N ASP 306.A OD1 no hydrogen 3.262 N/A SER 311.A OG GLY 277.A O no hydrogen 2.734 N/A GLY 312.A N GLU 320.A O no hydrogen 2.924 N/A ILE 313.A N GLU 320.A O no hydrogen 3.032 N/A LYS 315.A N ARG 318.A O no hydrogen 2.779 N/A ARG 318.A N LYS 315.A O no hydrogen 3.122 N/A ARG 318.A NE SER 119.A OG no hydrogen 2.932 N/A ARG 318.A NH2 SER 119.A OG no hydrogen 2.951 N/A LEU 319.A N VAL 120.A O no hydrogen 2.834 N/A GLU 320.A N ILE 313.A O no hydrogen 2.817 N/A PHE 321.A N PHE 118.A O no hydrogen 2.816 N/A ASP 327.A N VAL 307.A O no hydrogen 2.902 N/A THR 329.A N ASP 327.A OD1 no hydrogen 3.123 N/A THR 329.A OG1 ASP 327.A OD1 no hydrogen 2.788 N/A THR 329.A OG1 ASP 327.A OD2 no hydrogen 3.507 N/A GLN 330.A N ASP 327.A O no hydrogen 2.983 N/A GLN 330.A NE2 TYR 12.A OH no hydrogen 2.880 N/A LEU 331.A N ILE 328.A O no hydrogen 3.171 N/A GLN 332.A N LYS 11.A O no hydrogen 3.218 N/A TYR 334.A N PHE 9.A O no hydrogen 3.045 N/A HIS 339.A N GLY 336.A O no hydrogen 3.079 N/A