Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N PHE 189.A O no hydrogen 3.129 N/A VAL 6.A N HIS 114.A O no hydrogen 3.003 N/A LEU 7.A N ILE 187.A O no hydrogen 2.687 N/A VAL 9.A N GLY 185.A O no hydrogen 2.972 N/A GLN 10.A N TRP 19.A O no hydrogen 2.782 N/A ASN 11.A ND2 SER 178.A O no hydrogen 3.100 N/A ASP 12.A N LEU 17.A O no hydrogen 2.739 N/A THR 15.A N ASP 12.A OD2 no hydrogen 2.989 N/A THR 15.A OG1 ASP 12.A OD2 no hydrogen 2.443 N/A GLY 16.A N ASP 12.A O no hydrogen 2.694 N/A LEU 17.A N THR 15.A OG1 no hydrogen 3.223 N/A HIS 18.A NE2 GLU 341.A OE2 no hydrogen 2.822 N/A TRP 19.A N GLN 10.A O no hydrogen 2.928 N/A ALA 20.A N VAL 33.A O no hydrogen 2.832 N/A LEU 22.A N VAL 31.A O no hydrogen 2.799 N/A LYS 24.A N MET 29.A O no hydrogen 3.046 N/A ARG 25.A N VAL 110.A O no hydrogen 2.936 N/A THR 26.A N SER 52.A OG no hydrogen 3.108 N/A THR 26.A OG1 THR 54.A OG1 no hydrogen 2.724 N/A MET 29.A N LYS 24.A O no hydrogen 2.855 N/A VAL 31.A N LEU 22.A O no hydrogen 2.737 N/A VAL 33.A N ALA 20.A O no hydrogen 2.894 N/A LEU 34.A N GLY 148.A O no hydrogen 2.938 N/A VAL 35.A N HIS 18.A O no hydrogen 2.802 N/A ASP 36.A N ALA 150.A O no hydrogen 3.118 N/A LEU 37.A N THR 243.A OG1 no hydrogen 2.991 N/A ASN 38.A N ASP 36.A OD1 no hydrogen 3.269 N/A GLY 39.A N ASP 36.A O no hydrogen 2.876 N/A ASN 40.A ND2 HIS 41.A ND1 no hydrogen 2.749 N/A HIS 41.A NE2 SER 93.A OG no hydrogen 2.854 N/A TRP 43.A N VAL 149.A O no hydrogen 2.857 N/A TRP 43.A NE1 THR 94.A O no hydrogen 2.918 N/A VAL 44.A N SER 131.A O no hydrogen 2.934 N/A ASN 45.A N GLN 147.A O no hydrogen 2.821 N/A CYS 46.A SG VAL 44.A O no hydrogen 4.016 N/A GLU 47.A N ASN 45.A OD1 no hydrogen 2.898 N/A TYR 50.A OH ASP 109.A OD2 no hydrogen 2.806 N/A SER 52.A OG ASP 109.A OD1 no hydrogen 3.028 N/A SER 52.A OG ASP 109.A OD2 no hydrogen 2.758 N/A LYS 53.A N THR 26.A O no hydrogen 2.770 N/A THR 54.A N SER 52.A OG no hydrogen 3.168 N/A THR 54.A OG1 THR 26.A OG1 no hydrogen 2.724 N/A THR 54.A OG1 SER 52.A OG no hydrogen 3.055 N/A THR 54.A OG1 ASP 109.A OD1 no hydrogen 2.660 N/A GLN 56.A N GLU 108.A O no hydrogen 3.019 N/A CYS 60.A N ASN 87.A O no hydrogen 3.126 N/A SER 62.A N PHE 59.A O no hydrogen 3.039 N/A SER 62.A OG PHE 59.A O no hydrogen 2.646 N/A SER 62.A OG GLN 64.A OE1 no hydrogen 3.287 N/A GLN 64.A N GLN 64.A OE1 no hydrogen 3.092 N/A GLN 64.A NE2 GLU 108.A OE2 no hydrogen 2.755 N/A CYS 65.A N SER 62.A OG no hydrogen 3.055 N/A CYS 65.A SG PHE 59.A O no hydrogen 3.285 N/A CYS 65.A SG SER 62.A OG no hydrogen 3.031 N/A SER 66.A N SER 62.A O no hydrogen 2.905 N/A ARG 67.A N THR 63.A O no hydrogen 2.836 N/A ALA 68.A N GLN 64.A O no hydrogen 2.863 N/A ASN 69.A N SER 66.A O no hydrogen 2.878 N/A THR 70.A N CYS 65.A O no hydrogen 3.057 N/A THR 70.A OG1 GLY 90.A O no hydrogen 2.659 N/A GLN 72.A N THR 70.A OG1 no hydrogen 3.029 N/A CYS 73.A SG HIS 61.A NE2 no hydrogen 3.685 N/A LEU 74.A N THR 88.A O no hydrogen 2.724 N/A CYS 76.A N HIS 85.A O no hydrogen 2.837 N/A ARG 81.A N CYS 84.A O no hydrogen 2.966 N/A GLY 83.A N TYR 55.A OH no hydrogen 3.456 N/A GLY 83.A N GLU 105.A OE2 no hydrogen 3.026 N/A CYS 84.A N ARG 81.A O no hydrogen 2.851 N/A CYS 84.A SG ALA 78.A O no hydrogen 3.735 N/A CYS 84.A SG ALA 79.A O no hydrogen 3.504 N/A HIS 85.A ND1 GLU 105.A OE1 no hydrogen 3.121 N/A HIS 85.A ND1 GLU 105.A OE2 no hydrogen 3.067 N/A THR 88.A N LEU 74.A O no hydrogen 2.931 N/A THR 88.A OG1 GLU 105.A OE1 no hydrogen 3.028 N/A CYS 89.A SG PHE 59.A O no hydrogen 3.446 N/A GLY 90.A N GLN 72.A O no hydrogen 2.856 N/A LEU 91.A N GLY 104.A O no hydrogen 2.790 N/A SER 93.A N GLY 102.A O no hydrogen 2.835 N/A SER 93.A OG HIS 41.A NE2 no hydrogen 2.854 N/A THR 94.A OG1 THR 101.A OG1 no hydrogen 3.414 N/A ASN 95.A N GLN 100.A O no hydrogen 2.930 N/A ASN 95.A ND2 LEU 137.A O no hydrogen 2.792 N/A ASN 95.A ND2 LYS 140.A O no hydrogen 2.848 N/A ILE 97.A N ASN 95.A OD1 no hydrogen 2.817 N/A THR 98.A N ASN 95.A OD1 no hydrogen 3.142 N/A THR 98.A OG1 GLN 100.A OE1 no hydrogen 2.717 N/A GLN 100.A N THR 98.A OG1 no hydrogen 3.107 N/A THR 101.A OG1 SER 93.A O no hydrogen 2.922 N/A THR 101.A OG1 THR 94.A OG1 no hydrogen 3.414 N/A GLY 102.A N SER 93.A O no hydrogen 2.889 N/A GLY 104.A N LEU 91.A O no hydrogen 2.897 N/A GLU 105.A N CYS 132.A O no hydrogen 2.971 N/A LEU 106.A N CYS 89.A O no hydrogen 2.952 N/A GLY 107.A N PHE 130.A O no hydrogen 2.709 N/A GLU 108.A N GLN 56.A O no hydrogen 2.756 N/A ASP 109.A N PHE 128.A O no hydrogen 2.966 N/A VAL 110.A N ASP 109.A OD1 no hydrogen 2.698 N/A LEU 111.A N VAL 125.A O no hydrogen 3.079 N/A ALA 112.A N GLN 23.A O no hydrogen 2.869 N/A ILE 113.A N VAL 123.A O no hydrogen 2.800 N/A ALA 115.A N PRO 121.A O no hydrogen 2.925 N/A THR 116.A N LEU 4.A O no hydrogen 3.078 N/A GLY 120.A N ALA 115.A O no hydrogen 2.910 N/A VAL 123.A N ILE 113.A O no hydrogen 2.937 N/A VAL 125.A N LEU 111.A O no hydrogen 2.805 N/A GLN 127.A NE2 GLU 108.A OE1 no hydrogen 3.336 N/A PHE 128.A N ASP 109.A O no hydrogen 2.742 N/A LEU 129.A N GLN 162.A OE1 no hydrogen 2.993 N/A PHE 130.A N GLY 107.A O no hydrogen 2.935 N/A SER 131.A N LEU 42.A O no hydrogen 2.832 N/A SER 131.A OG GLU 105.A O no hydrogen 3.193 N/A CYS 132.A N GLU 105.A O no hydrogen 2.833 N/A ALA 133.A N VAL 44.A O no hydrogen 2.962 N/A SER 135.A N GLU 47.A OE2 no hydrogen 2.989 N/A LEU 137.A N PRO 134.A O no hydrogen 3.187 N/A VAL 138.A N SER 135.A O no hydrogen 3.144 N/A GLN 139.A N PHE 136.A O no hydrogen 3.220 N/A GLN 139.A NE2 SER 135.A O no hydrogen 3.109 N/A THR 146.A N PRO 143.A O no hydrogen 3.152 N/A THR 146.A OG1 PRO 143.A O no hydrogen 3.154 N/A GLN 147.A N PRO 32.A O no hydrogen 2.731 N/A VAL 149.A N TRP 43.A O no hydrogen 2.847 N/A ALA 150.A N LEU 34.A O no hydrogen 2.857 N/A GLY 151.A N HIS 41.A O no hydrogen 2.901 N/A LEU 152.A N ASP 36.A O no hydrogen 3.024 N/A GLY 153.A N GLY 39.A O no hydrogen 2.923 N/A SER 158.A N ALA 155.A O no hydrogen 3.138 N/A SER 158.A OG GLY 153.A O no hydrogen 2.617 N/A SER 158.A OG ALA 155.A O no hydrogen 3.255 N/A LEU 159.A N GLY 151.A O no hydrogen 3.013 N/A ASN 161.A ND2 HIS 154.A ND1 no hydrogen 3.161 N/A ASN 161.A ND2 ALA 155.A O no hydrogen 3.018 N/A GLN 162.A N SER 158.A O no hydrogen 2.864 N/A GLN 162.A NE2 LEU 129.A O no hydrogen 2.812 N/A GLN 162.A NE2 ILE 157.A O no hydrogen 2.834 N/A LEU 163.A N LEU 159.A O no hydrogen 2.980 N/A ALA 164.A N PRO 160.A O no hydrogen 3.090 N/A SER 165.A N ASN 161.A O no hydrogen 3.117 N/A SER 165.A OG ASN 161.A O no hydrogen 2.977 N/A HIS 166.A N GLN 162.A O no hydrogen 3.132 N/A PHE 167.A N LEU 163.A O no hydrogen 3.107 N/A LEU 169.A N ALA 164.A O no hydrogen 2.807 N/A ARG 171.A NH1 ASN 161.A OD1 no hydrogen 2.889 N/A GLN 172.A N GLN 170.A O no hydrogen 2.902 N/A PHE 173.A N PHE 347.A O no hydrogen 2.953 N/A THR 174.A N ILE 188.A O no hydrogen 2.743 N/A THR 175.A N VAL 345.A O no hydrogen 2.878 N/A THR 175.A OG1 VAL 345.A O no hydrogen 3.556 N/A CYS 176.A N ALA 186.A O no hydrogen 2.873 N/A SER 178.A OG TYR 180.A O no hydrogen 2.967 N/A SER 178.A OG SER 183.A O no hydrogen 2.650 N/A ARG 179.A N GLU 342.A OE1 no hydrogen 2.988 N/A TYR 180.A N SER 178.A OG no hydrogen 3.112 N/A SER 183.A N TYR 180.A O no hydrogen 3.147 N/A GLY 185.A N VAL 9.A O no hydrogen 2.694 N/A ALA 186.A N CYS 176.A O no hydrogen 3.050 N/A ILE 187.A N LEU 7.A O no hydrogen 2.748 N/A ILE 188.A N THR 174.A O no hydrogen 2.774 N/A PHE 189.A N VAL 5.A O no hydrogen 2.784 N/A GLY 190.A N GLN 172.A O no hydrogen 2.954 N/A ASN 194.A N ASP 191.A OD1 no hydrogen 2.934 N/A ASN 194.A ND2 ASP 191.A OD1 no hydrogen 3.554 N/A ASN 194.A ND2 ASP 191.A OD2 no hydrogen 2.936 N/A ASN 195.A N ASP 191.A O no hydrogen 2.918 N/A MET 196.A N ALA 192.A O no hydrogen 2.738 N/A GLN 200.A N PHE 197.A O no hydrogen 3.100 N/A GLN 200.A NE2 GLN 198.A O no hydrogen 3.056 N/A PHE 203.A N ASP 201.A OD1 no hydrogen 3.330 N/A HIS 204.A N ASP 201.A O no hydrogen 3.158 N/A LEU 206.A N PHE 203.A O no hydrogen 2.960 N/A ALA 207.A N PHE 356.A O no hydrogen 2.586 N/A THR 209.A N VAL 354.A O no hydrogen 2.931 N/A LEU 211.A N SER 352.A O no hydrogen 3.019 N/A THR 212.A N ASN 220.A O no hydrogen 2.910 N/A THR 212.A OG1 ASN 220.A O no hydrogen 3.449 N/A THR 214.A N GLU 218.A O no hydrogen 2.805 N/A THR 214.A OG1 GLU 218.A OE1 no hydrogen 2.776 N/A GLY 217.A N THR 214.A O no hydrogen 2.852 N/A GLU 218.A N THR 214.A OG1 no hydrogen 3.050 N/A TYR 219.A OH LEU 152.A O no hydrogen 2.556 N/A ASN 220.A N THR 212.A O no hydrogen 2.916 N/A ASN 220.A ND2 TYR 219.A O no hydrogen 2.954 N/A VAL 221.A N THR 239.A O no hydrogen 2.792 N/A ASN 224.A N VAL 296.A O no hydrogen 2.647 N/A SER 225.A N VAL 296.A O no hydrogen 3.345 N/A ILE 226.A N PHE 234.A O no hydrogen 3.152 N/A ARG 227.A N ASP 294.A O no hydrogen 2.883 N/A ARG 227.A NH2 ASP 294.A OD2 no hydrogen 3.079 N/A ILE 228.A N HIS 231.A O no hydrogen 2.723 N/A ASN 229.A N SER 292.A O no hydrogen 2.988 N/A HIS 231.A N ILE 228.A O no hydrogen 2.800 N/A VAL 233.A N ILE 226.A O no hydrogen 2.937 N/A GLY 238.A N ASN 220.A OD1 no hydrogen 3.224 N/A THR 239.A N VAL 221.A O no hydrogen 2.802 N/A MET 240.A N ILE 333.A O no hydrogen 2.904 N/A ILE 241.A N TYR 219.A O no hydrogen 3.248 N/A SER 242.A N LEU 335.A O no hydrogen 2.925 N/A THR 243.A OG1 VAL 35.A O no hydrogen 2.586 N/A SER 244.A N SER 242.A OG no hydrogen 2.922 N/A SER 244.A OG SER 242.A OG no hydrogen 2.991 N/A THR 245.A OG1 HIS 247.A O no hydrogen 3.498 N/A MET 248.A N GLY 321.A O no hydrogen 3.390 N/A VAL 249.A N THR 334.A O no hydrogen 2.869 N/A LEU 250.A N MET 323.A O no hydrogen 3.096 N/A GLN 251.A N GLU 332.A O no hydrogen 2.896 N/A GLN 251.A NE2 MET 327.A O no hydrogen 2.984 N/A GLN 252.A N GLY 326.A O no hydrogen 2.868 N/A SER 253.A N GLN 251.A OE1 no hydrogen 2.763 N/A TYR 255.A N GLN 251.A O no hydrogen 2.767 N/A GLN 256.A N GLN 252.A O no hydrogen 3.042 N/A ALA 257.A N SER 253.A O no hydrogen 3.271 N/A PHE 258.A N VAL 254.A O no hydrogen 2.834 N/A THR 259.A N TYR 255.A O no hydrogen 2.897 N/A THR 259.A OG1 TYR 255.A O no hydrogen 2.969 N/A THR 259.A OG1 GLN 256.A O no hydrogen 3.302 N/A GLN 260.A N GLN 256.A O no hydrogen 3.138 N/A VAL 261.A N ALA 257.A O no hydrogen 3.080 N/A PHE 262.A N PHE 258.A O no hydrogen 2.827 N/A ALA 263.A N THR 259.A O no hydrogen 2.942 N/A GLN 264.A N GLN 260.A O no hydrogen 3.082 N/A GLN 265.A N VAL 261.A O no hydrogen 3.188 N/A GLN 265.A N PHE 262.A O no hydrogen 2.827 N/A LEU 266.A N ALA 263.A O no hydrogen 2.673 N/A ALA 270.A N PRO 267.A O no hydrogen 2.851 N/A GLN 271.A N LYS 268.A O no hydrogen 3.418 N/A VAL 272.A N CYS 281.A O no hydrogen 3.161 N/A SER 274.A OG PHE 278.A O no hydrogen 3.460 N/A PHE 278.A N VAL 275.A O no hydrogen 2.919 N/A PHE 282.A N THR 318.A O no hydrogen 2.717 N/A ASN 283.A N ALA 270.A O no hydrogen 3.146 N/A LYS 286.A N ASN 283.A O no hydrogen 2.949 N/A VAL 293.A N ILE 307.A O no hydrogen 2.727 N/A ASP 294.A N ARG 227.A O no hydrogen 2.875 N/A LEU 295.A N TRP 305.A O no hydrogen 2.858 N/A VAL 296.A N SER 225.A O no hydrogen 2.848 N/A MET 297.A N PRO 303.A O no hydrogen 2.923 N/A ASP 298.A N ARG 222.A O no hydrogen 2.722 N/A LYS 299.A N MET 297.A O no hydrogen 2.663 N/A ASN 301.A ND2 ASN 301.A O no hydrogen 2.355 N/A GLY 302.A N LYS 299.A O no hydrogen 3.198 N/A TRP 305.A N LEU 295.A O no hydrogen 2.856 N/A ARG 306.A NE ASP 294.A OD1 no hydrogen 2.722 N/A ARG 306.A NH2 ASP 294.A OD1 no hydrogen 2.922 N/A ARG 306.A NH2 ASP 294.A OD2 no hydrogen 3.459 N/A ILE 307.A N VAL 293.A O no hydrogen 2.677 N/A ASP 311.A N SER 308.A OG no hydrogen 3.350 N/A LEU 312.A N SER 308.A O no hydrogen 3.335 N/A LEU 312.A N GLY 309.A O no hydrogen 2.998 N/A MET 313.A N GLU 310.A O no hydrogen 3.030 N/A VAL 314.A N CYS 319.A O no hydrogen 2.636 N/A GLN 315.A N GLN 315.A OE1 no hydrogen 2.673 N/A THR 318.A N PHE 282.A O no hydrogen 3.007 N/A THR 318.A OG1 VAL 314.A O no hydrogen 3.309 N/A CYS 319.A N VAL 314.A O no hydrogen 2.683 N/A LEU 320.A N LEU 280.A O no hydrogen 2.839 N/A GLY 321.A N LEU 312.A O no hydrogen 2.780 N/A MET 323.A N MET 248.A O no hydrogen 2.808 N/A GLY 325.A N LEU 250.A O no hydrogen 2.876 N/A GLY 326.A N ASN 324.A OD1 no hydrogen 3.002 N/A ARG 330.A NH1 GLU 218.A OE2 no hydrogen 2.933 N/A THR 334.A N VAL 249.A O no hydrogen 2.772 N/A LEU 335.A N MET 240.A O no hydrogen 2.884 N/A GLY 336.A N GLN 339.A OE1 no hydrogen 2.870 N/A ALA 337.A N THR 245.A O no hydrogen 2.852 N/A ARG 338.A N PRO 246.A O no hydrogen 2.858 N/A ARG 338.A NH1 ASP 311.A O no hydrogen 3.178 N/A GLN 339.A N GLY 336.A O no hydrogen 2.925 N/A LEU 340.A N ALA 337.A O no hydrogen 2.840 N/A GLU 341.A N ALA 337.A O no hydrogen 3.080 N/A GLU 342.A N LEU 177.A O no hydrogen 2.759 N/A ASN 343.A N LEU 340.A O no hydrogen 3.296 N/A VAL 345.A N THR 175.A O no hydrogen 3.043 N/A VAL 346.A N GLY 355.A O no hydrogen 2.848 N/A PHE 347.A N PHE 173.A O no hydrogen 2.750 N/A ASP 348.A N ARG 353.A O no hydrogen 2.871 N/A ALA 350.A N ARG 171.A O no hydrogen 3.120 N/A ALA 350.A N ASP 348.A OD1 no hydrogen 2.992 N/A ARG 351.A N ASP 348.A OD1 no hydrogen 3.053 N/A ARG 351.A NE ASP 348.A OD2 no hydrogen 2.990 N/A ARG 351.A NH2 ASP 348.A OD2 no hydrogen 3.047 N/A SER 352.A OG LEU 211.A O no hydrogen 2.725 N/A ARG 353.A N ASP 348.A O no hydrogen 3.168 N/A VAL 354.A N THR 209.A O no hydrogen 2.958 N/A GLY 355.A N VAL 346.A O no hydrogen 2.727 N/A PHE 356.A N ALA 207.A O no hydrogen 2.738 N/A SER 357.A OG SER 359.A O no hydrogen 2.701 N/A SER 357.A OG SER 359.A OG no hydrogen 3.225 N/A THR 358.A N ASP 205.A O no hydrogen 3.058 N/A SER 359.A OG ASP 205.A OD2 no hydrogen 2.419 N/A SER 359.A OG SER 357.A OG no hydrogen 3.225 N/A HIS 362.A NE2 GLU 342.A OE2 no hydrogen 2.597 N/A SER 363.A N SER 360.A O no hydrogen 3.176 N/A HIS 364.A N LEU 361.A O no hydrogen 2.872 N/A GLY 365.A N HIS 362.A O no hydrogen 2.840 N/A LYS 367.A N ASP 370.A OD2 no hydrogen 2.658 N/A CYS 368.A N GLU 342.A OE2 no hydrogen 2.849 N/A CYS 368.A SG LEU 177.A O no hydrogen 3.290 N/A CYS 368.A SG GLU 342.A OE2 no hydrogen 3.858 N/A ASP 370.A N LYS 367.A O no hydrogen 2.791 N/A LEU 371.A N CYS 368.A O no hydrogen 3.237 N/A ALA 375.A N ASN 373.A OD1 no hydrogen 3.007 N/A