Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gdo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N SER 1.A OG no hydrogen 3.192 N/A ILE 5.A N GLU 29.A O no hydrogen 2.703 N/A LYS 6.A N GLU 66.A OE1 no hydrogen 3.170 N/A LYS 6.A NZ THR 4.A O no hydrogen 2.900 N/A LYS 6.A NZ THR 4.A OG1 no hydrogen 2.646 N/A VAL 7.A N GLN 31.A O no hydrogen 2.689 N/A GLY 8.A N LEU 67.A O no hydrogen 2.855 N/A ILE 9.A N LYS 34.A O no hydrogen 2.778 N/A LEU 10.A N ILE 69.A O no hydrogen 2.814 N/A GLY 11.A N MET 36.A O no hydrogen 2.816 N/A TYR 12.A OH ASP 46.A OD2 no hydrogen 2.577 N/A SER 15.A OG GLU 94.A OE2.B no hydrogen 2.364 N/A SER 17.A N GLY 13.A O no hydrogen 3.025 N/A SER 17.A OG GLY 13.A O no hydrogen 2.689 N/A VAL 18.A N LEU 14.A O no hydrogen 2.933 N/A PHE 19.A N SER 15.A O no hydrogen 2.951 N/A HIS 20.A N SER 15.A O no hydrogen 2.982 N/A HIS 20.A ND1 TYR 295.A OH no hydrogen 2.618 N/A HIS 20.A NE2 GLU 94.A OE2.A no hydrogen 2.946 N/A GLY 21.A N GLY 16.A O no hydrogen 2.747 N/A LEU 23.A N HIS 20.A O no hydrogen 3.026 N/A LEU 24.A N HIS 20.A O no hydrogen 2.965 N/A ASP 25.A N GLY 21.A O no hydrogen 2.924 N/A VAL 26.A N LEU 23.A O no hydrogen 3.168 N/A LEU 27.A N LEU 24.A O no hydrogen 3.284 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.935 N/A TYR 30.A N LEU 27.A O no hydrogen 3.199 N/A TYR 30.A OH TYR 295.A O no hydrogen 2.591 N/A GLN 31.A N ILE 5.A O no hydrogen 2.617 N/A GLN 31.A NE2 ILE 32.A O no hydrogen 3.435 N/A SER 33.A N VAL 7.A O no hydrogen 2.945 N/A LYS 34.A N VAL 7.A O no hydrogen 3.277 N/A LYS 34.A NZ GLU 58.A O no hydrogen 2.801 N/A LYS 34.A NZ ASP 62.A OD2 no hydrogen 2.984 N/A ILE 35.A N GLU 51.A O no hydrogen 3.010 N/A MET 36.A N ILE 9.A O no hydrogen 2.777 N/A THR 37.A N VAL 53.A O no hydrogen 3.197 N/A ARG 39.A N THR 37.A OG1 no hydrogen 2.974 N/A ARG 39.A NH1 GLU 42.A OE1 no hydrogen 2.897 N/A THR 40.A N SER 38.A O no hydrogen 2.950 N/A VAL 43.A N ARG 39.A O no hydrogen 3.134 N/A LYS 44.A N.A THR 40.A O no hydrogen 3.077 N/A LYS 44.A N.B THR 40.A O no hydrogen 3.079 N/A ARG 45.A N GLU 41.A O no hydrogen 3.186 N/A ASP 46.A N GLU 42.A O no hydrogen 3.090 N/A PHE 47.A N VAL 43.A O no hydrogen 2.673 N/A ALA 50.A N PHE 47.A O no hydrogen 2.881 N/A GLU 51.A N SER 33.A O no hydrogen 2.835 N/A VAL 53.A N ILE 35.A O no hydrogen 2.969 N/A HIS 54.A N GLU 58.A OE2 no hydrogen 3.147 N/A GLU 55.A N GLU 58.A OE2 no hydrogen 3.168 N/A GLU 57.A N GLU 57.A OE1 no hydrogen 2.861 N/A GLU 58.A N GLU 55.A O no hydrogen 3.097 N/A ILE 59.A N LEU 56.A O no hydrogen 2.862 N/A THR 60.A N LEU 56.A O no hydrogen 2.764 N/A THR 60.A OG1 LEU 56.A O no hydrogen 3.234 N/A ASN 61.A N GLU 57.A O no hydrogen 2.775 N/A ASP 62.A N ILE 59.A O no hydrogen 3.448 N/A ALA 64.A N ASP 62.A OD1 no hydrogen 2.822 N/A ILE 65.A N ASP 62.A O no hydrogen 3.373 N/A GLU 66.A N LYS 6.A O no hydrogen 3.078 N/A LEU 67.A N LYS 6.A O no hydrogen 3.303 N/A VAL 68.A N HIS 90.A O no hydrogen 2.841 N/A ILE 69.A N GLY 8.A O no hydrogen 2.865 N/A VAL 70.A N VAL 92.A O no hydrogen 2.988 N/A THR 71.A N LEU 10.A O no hydrogen 2.926 N/A THR 71.A OG1 LEU 10.A O no hydrogen 2.440 N/A THR 71.A OG1 GLY 11.A O no hydrogen 3.093 N/A THR 72.A OG1 HIS 80.A ND1 no hydrogen 2.917 N/A HIS 80.A N LEU 76.A O no hydrogen 3.263 N/A HIS 80.A ND1 THR 72.A OG1 no hydrogen 2.917 N/A THR 81.A N HIS 77.A O no hydrogen 2.925 N/A THR 81.A OG1 HIS 77.A O no hydrogen 2.906 N/A MET 82.A N TYR 78.A O no hydrogen 2.958 N/A ALA 83.A N GLU 79.A O no hydrogen 3.205 N/A CYS 84.A N HIS 80.A O no hydrogen 3.163 N/A CYS 84.A SG HIS 80.A O no hydrogen 3.375 N/A ILE 85.A N THR 81.A O no hydrogen 2.968 N/A GLN 86.A N MET 82.A O no hydrogen 2.817 N/A ALA 87.A N ALA 83.A O no hydrogen 2.909 N/A GLY 88.A N ILE 85.A O no hydrogen 2.972 N/A LYS 89.A N CYS 84.A O no hydrogen 2.981 N/A LYS 89.A NZ ASP 62.A O no hydrogen 2.681 N/A LYS 89.A NZ ILE 65.A O no hydrogen 2.674 N/A HIS 90.A N GLU 66.A O no hydrogen 2.988 N/A VAL 91.A N LEU 117.A O no hydrogen 2.873 N/A VAL 92.A N VAL 68.A O no hydrogen 2.956 N/A MET 93.A N SER 119.A O no hydrogen 2.808 N/A LYS 95.A N GLU 94.A OE1.A no hydrogen 3.041 N/A LYS 95.A NZ ASP 166.A O no hydrogen 2.661 N/A LYS 95.A NZ ASP 166.A OD1 no hydrogen 3.447 N/A LYS 95.A NZ HIS 170.A NE2 no hydrogen 3.299 N/A THR 98.A OG1 THR 100.A O no hydrogen 2.795 N/A THR 100.A N GLU 103.A OE1 no hydrogen 2.836 N/A THR 100.A OG1 GLU 103.A OE1 no hydrogen 2.963 N/A ALA 101.A N GLU 323.A OE2 no hydrogen 2.808 N/A GLU 103.A N THR 100.A OG1 no hydrogen 3.276 N/A GLY 104.A N THR 100.A O no hydrogen 3.412 N/A GLU 105.A N ALA 101.A O no hydrogen 2.826 N/A THR 106.A N GLU 102.A O no hydrogen 3.123 N/A THR 106.A OG1 GLU 102.A O no hydrogen 3.208 N/A LEU 107.A N GLU 103.A O no hydrogen 3.214 N/A LYS 108.A N GLY 104.A O no hydrogen 2.889 N/A ARG 109.A N GLU 105.A O no hydrogen 2.839 N/A ALA 110.A N THR 106.A O no hydrogen 3.013 N/A ALA 111.A N LEU 107.A O no hydrogen 2.928 N/A ASP 112.A N LYS 108.A O no hydrogen 2.862 N/A GLU 113.A N ARG 109.A O no hydrogen 2.938 N/A LYS 114.A N ALA 110.A O no hydrogen 2.924 N/A LYS 114.A NZ GLN 86.A O no hydrogen 3.261 N/A GLY 115.A N ASP 112.A O no hydrogen 3.269 N/A VAL 116.A N ALA 111.A O no hydrogen 3.065 N/A LEU 117.A N HIS 90.A ND1 no hydrogen 2.985 N/A SER 119.A N VAL 91.A O no hydrogen 2.954 N/A SER 119.A OG TYR 294.A OH no hydrogen 2.651 N/A SER 119.A OG VAL 310.A O no hydrogen 2.796 N/A TYR 121.A N MET 93.A O no hydrogen 2.613 N/A HIS 122.A N VAL 120.A O no hydrogen 2.802 N/A ARG 124.A NH1 ASN 123.A OD1 no hydrogen 2.996 N/A ARG 124.A NH1 GLU 246.A OE1 no hydrogen 2.923 N/A ARG 125.A N HIS 122.A O no hydrogen 3.365 N/A ARG 125.A NE ASP 173.A OD2 no hydrogen 2.854 N/A ARG 125.A NH1 GLU 314.A OE1 no hydrogen 2.865 N/A ARG 125.A NH2 ASP 173.A OD1 no hydrogen 2.707 N/A ARG 125.A NH2 GLU 314.A OE1 no hydrogen 2.995 N/A TRP 126.A N ASN 123.A O no hydrogen 2.987 N/A ASP 127.A N ARG 124.A O no hydrogen 3.163 N/A ASN 128.A N ASP 243.A OD1 no hydrogen 2.787 N/A ASN 128.A ND2 GLY 261.A O no hydrogen 3.314 N/A LEU 131.A N ASP 127.A O no hydrogen 2.992 N/A THR 132.A N ASN 128.A O no hydrogen 3.017 N/A THR 132.A OG1 ASN 128.A O no hydrogen 2.693 N/A ILE 133.A N ASP 129.A O no hydrogen 2.954 N/A LYS 134.A N PHE 130.A O no hydrogen 2.913 N/A LYS 134.A NZ HIS 177.A NE2 no hydrogen 3.185 N/A LYS 135.A N LEU 131.A O no hydrogen 2.975 N/A LEU 136.A N THR 132.A O no hydrogen 2.915 N/A ILE 137.A N ILE 133.A O no hydrogen 2.988 N/A SER 138.A N LYS 134.A O no hydrogen 3.014 N/A SER 138.A OG LYS 134.A O no hydrogen 3.468 N/A SER 138.A OG LYS 135.A O no hydrogen 2.844 N/A GLU 139.A N LYS 135.A O no hydrogen 3.000 N/A GLY 140.A N ILE 137.A O no hydrogen 2.950 N/A SER 141.A N LEU 136.A O no hydrogen 3.019 N/A ASN 146.A N HIS 231.A O no hydrogen 2.707 N/A THR 147.A N HIS 231.A O no hydrogen 3.169 N/A THR 147.A OG1 ASN 146.A OD1 no hydrogen 2.718 N/A TYR 148.A N GLN 212.A O no hydrogen 2.986 N/A GLN 149.A N GLN 229.A O no hydrogen 2.845 N/A VAL 150.A N ILE 214.A O no hydrogen 2.775 N/A SER 151.A N ARG 227.A O no hydrogen 2.926 N/A SER 151.A OG PRO 226.A O no hydrogen 3.085 N/A TYR 152.A N TYR 216.A O no hydrogen 2.770 N/A ASN 153.A ND2 ASN 224.A OD1 no hydrogen 3.627 N/A ARG 154.A N GLY 218.A O no hydrogen 2.947 N/A ARG 154.A NE SER 219.A OG no hydrogen 3.037 N/A ARG 154.A NH1 SER 219.A OG no hydrogen 3.304 N/A ARG 156.A N SER 219.A O no hydrogen 2.876 N/A THR 163.A N VAL 199.A O no hydrogen 2.971 N/A THR 163.A OG1 VAL 199.A O no hydrogen 3.416 N/A TYR 165.A OH ALA 99.A O no hydrogen 2.623 N/A ASP 166.A N GLY 162.A O no hydrogen 3.056 N/A LEU 167.A N THR 163.A O no hydrogen 2.798 N/A GLY 168.A N THR 163.A O no hydrogen 2.991 N/A SER 169.A OG TYR 165.A O no hydrogen 2.748 N/A SER 169.A OG ASP 166.A O no hydrogen 3.466 N/A HIS 170.A N LEU 167.A O no hydrogen 3.136 N/A ILE 172.A N GLY 168.A O no hydrogen 2.859 N/A ASP 173.A N SER 169.A O no hydrogen 3.046 N/A GLN 174.A N HIS 170.A O no hydrogen 3.185 N/A GLN 174.A NE2 ARG 124.A O no hydrogen 3.021 N/A THR 175.A N ILE 171.A O no hydrogen 3.147 N/A THR 175.A OG1 ILE 171.A O no hydrogen 2.790 N/A LEU 176.A N ILE 172.A O no hydrogen 2.842 N/A HIS 177.A N ASP 173.A O no hydrogen 2.829 N/A LEU 178.A N GLN 174.A O no hydrogen 2.956 N/A PHE 179.A N THR 175.A O no hydrogen 2.909 N/A GLY 180.A N LEU 176.A O no hydrogen 2.936 N/A LYS 183.A N ASP 207.A O no hydrogen 2.753 N/A VAL 185.A N ILE 335.A O no hydrogen 2.795 N/A THR 186.A N THR 205.A O no hydrogen 2.891 N/A THR 186.A OG1 THR 334.A OG1 no hydrogen 2.747 N/A ALA 187.A N SER 328.A OG no hydrogen 2.854 N/A ASN 188.A N HIS 203.A O no hydrogen 2.984 N/A VAL 189.A N SER 329.A OG no hydrogen 2.823 N/A MET 190.A N TYR 201.A O no hydrogen 3.032 N/A GLN 192.A N ASP 200.A OD1 no hydrogen 2.762 N/A ARG 193.A N ASP 200.A OD2 no hydrogen 3.032 N/A ARG 193.A NE ASP 200.A OD2 no hydrogen 3.070 N/A ARG 193.A NH1 ARG 156.A O no hydrogen 2.943 N/A ALA 196.A N ARG 193.A O no hydrogen 3.293 N/A ASP 200.A N MET 190.A O no hydrogen 2.898 N/A TYR 201.A N MET 190.A O no hydrogen 3.139 N/A PHE 202.A N GLY 217.A O no hydrogen 2.986 N/A HIS 203.A N ASN 188.A O no hydrogen 2.936 N/A LEU 204.A N LEU 215.A O no hydrogen 2.702 N/A THR 205.A N THR 186.A O no hydrogen 2.808 N/A LEU 206.A N ALA 213.A O no hydrogen 2.836 N/A ASP 207.A N ALA 184.A O no hydrogen 2.901 N/A TYR 208.A N LEU 211.A O no hydrogen 2.975 N/A TYR 208.A OH GLY 180.A O no hydrogen 2.613 N/A GLY 209.A N ASP 207.A OD1 no hydrogen 2.971 N/A LYS 210.A NZ ASP 144.A OD2 no hydrogen 3.531 N/A GLN 212.A N ASN 146.A O no hydrogen 2.980 N/A GLN 212.A NE2 ASP 207.A OD1 no hydrogen 2.894 N/A GLN 212.A NE2 GLY 209.A O no hydrogen 2.903 N/A ALA 213.A N LEU 206.A O no hydrogen 3.200 N/A ILE 214.A N TYR 148.A O no hydrogen 2.794 N/A LEU 215.A N LEU 204.A O no hydrogen 2.869 N/A TYR 216.A N VAL 150.A O no hydrogen 2.983 N/A GLY 217.A N PHE 202.A O no hydrogen 2.939 N/A GLY 218.A N ASN 153.A OD1 no hydrogen 2.830 N/A SER 219.A OG ASP 200.A O no hydrogen 2.668 N/A VAL 221.A N ARG 154.A O no hydrogen 3.181 N/A ARG 227.A NE TYR 228.A OH no hydrogen 3.526 N/A TYR 228.A N LYS 239.A O no hydrogen 2.961 N/A TYR 228.A OH GLN 174.A OE1 no hydrogen 2.747 N/A GLN 229.A N GLN 149.A O no hydrogen 2.983 N/A ILE 230.A N PHE 237.A O no hydrogen 2.882 N/A HIS 231.A N THR 147.A O no hydrogen 2.861 N/A HIS 231.A ND1 SER 236.A OG no hydrogen 2.681 N/A GLY 232.A N SER 235.A O no hydrogen 2.728 N/A LYS 233.A N GLU 143.A O no hydrogen 3.138 N/A LYS 233.A NZ ASP 234.A OD1 no hydrogen 3.356 N/A SER 235.A OG SER 141.A O no hydrogen 2.833 N/A SER 236.A N THR 272.A O no hydrogen 2.928 N/A SER 236.A OG HIS 231.A ND1 no hydrogen 2.681 N/A PHE 237.A N ILE 230.A O no hydrogen 2.843 N/A ILE 238.A N LYS 270.A O no hydrogen 3.062 N/A LYS 239.A N TYR 228.A O no hydrogen 2.890 N/A LYS 239.A NZ TYR 240.A O no hydrogen 2.964 N/A LYS 239.A NZ ASP 263.A OD2 no hydrogen 2.761 N/A LYS 239.A NZ PHE 267.A O no hydrogen 2.809 N/A GLN 245.A N ASP 243.A OD2 no hydrogen 2.723 N/A GLN 245.A NE2 TRP 126.A O no hydrogen 3.455 N/A GLN 245.A NE2 ASP 243.A OD1 no hydrogen 2.985 N/A GLN 245.A NE2 ASP 243.A OD2 no hydrogen 3.324 N/A ALA 248.A N GLY 244.A O no hydrogen 3.112 N/A LEU 249.A N GLN 245.A O no hydrogen 2.920 N/A ARG 250.A N GLU 246.A O no hydrogen 2.936 N/A ALA 251.A N ASP 247.A O no hydrogen 3.007 N/A GLY 252.A N LEU 249.A O no hydrogen 2.937 N/A ARG 253.A N ALA 248.A O no hydrogen 2.909 N/A SER 259.A OG ASP 257.A OD2 no hydrogen 2.884 N/A TRP 260.A N ASP 257.A O no hydrogen 3.330 N/A TRP 260.A NE1 GLN 245.A OE1 no hydrogen 2.910 N/A ALA 262.A N SER 259.A O no hydrogen 3.421 N/A VAL 264.A N ASP 263.A OD1 no hydrogen 2.891 N/A GLU 266.A N GLU 266.A OE2.B no hydrogen 2.959 N/A PHE 267.A N VAL 264.A O no hydrogen 2.852 N/A TYR 268.A N PRO 265.A O no hydrogen 3.162 N/A LYS 270.A N ILE 238.A O no hydrogen 2.960 N/A LEU 271.A N GLU 282.A O no hydrogen 2.909 N/A THR 272.A N SER 236.A O no hydrogen 2.837 N/A THR 272.A OG1 THR 281.A OG1 no hydrogen 2.878 N/A THR 273.A N LYS 280.A O no hydrogen 2.723 N/A ILE 274.A N ASP 234.A O no hydrogen 2.855 N/A ARG 275.A N ASP 278.A O no hydrogen 2.603 N/A ASP 278.A N ARG 275.A O no hydrogen 2.776 N/A LYS 280.A N THR 273.A O no hydrogen 2.796 N/A THR 281.A OG1 THR 272.A OG1 no hydrogen 2.878 N/A GLU 282.A N LEU 271.A O no hydrogen 2.768 N/A ILE 284.A N GLY 269.A O no hydrogen 2.862 N/A SER 286.A OG ASP 263.A OD2 no hydrogen 2.546 N/A VAL 287.A N THR 132.A OG1 no hydrogen 2.933 N/A ASN 288.A ND2 TRP 260.A O no hydrogen 3.032 N/A GLY 289.A N GLY 261.A O no hydrogen 2.865 N/A SER 290.A N TRP 126.A O no hydrogen 2.851 N/A SER 290.A OG THR 293.A OG1 no hydrogen 2.518 N/A TYR 291.A N GLN 245.A OE1 no hydrogen 2.843 N/A TYR 291.A OH ASP 127.A OD1 no hydrogen 2.633 N/A THR 293.A N SER 290.A O no hydrogen 3.064 N/A THR 293.A OG1 SER 290.A O no hydrogen 3.313 N/A THR 293.A OG1 SER 290.A OG no hydrogen 2.518 N/A TYR 294.A N TYR 291.A O no hydrogen 2.958 N/A TYR 294.A OH SER 119.A OG no hydrogen 2.651 N/A TYR 295.A OH HIS 20.A ND1 no hydrogen 2.618 N/A ARG 296.A N LEU 292.A O no hydrogen 2.992 N/A LYS 297.A N THR 293.A O no hydrogen 3.118 N/A ILE 298.A N TYR 294.A O no hydrogen 3.106 N/A ALA 299.A N TYR 295.A O no hydrogen 3.056 N/A GLU 300.A N ARG 296.A O no hydrogen 3.041 N/A SER 301.A N LYS 297.A O no hydrogen 2.761 N/A SER 301.A OG LYS 297.A O no hydrogen 3.293 N/A SER 301.A OG ALA 306.A O no hydrogen 2.899 N/A ILE 302.A N ILE 298.A O no hydrogen 2.931 N/A ARG 303.A N ALA 299.A O no hydrogen 2.877 N/A ARG 303.A NE ASP 3.A O no hydrogen 2.884 N/A ARG 303.A NH1 GLU 66.A OE2 no hydrogen 2.812 N/A ARG 303.A NH2 ASP 3.A O no hydrogen 2.655 N/A ARG 303.A NH2 GLU 66.A OE1 no hydrogen 3.100 N/A ARG 303.A NH2 GLU 66.A OE2 no hydrogen 3.538 N/A GLU 304.A N GLU 300.A O no hydrogen 2.906 N/A GLY 305.A N SER 301.A O no hydrogen 2.890 N/A ALA 306.A N GLU 300.A O no hydrogen 3.341 N/A THR 311.A N GLU 314.A OE1 no hydrogen 3.157 N/A GLU 314.A N THR 311.A OG1 no hydrogen 3.190 N/A GLY 315.A N THR 311.A O no hydrogen 3.092 N/A ILE 316.A N ALA 312.A O no hydrogen 2.834 N/A ASN 317.A N GLU 313.A O no hydrogen 2.991 N/A VAL 318.A N GLU 314.A O no hydrogen 3.309 N/A ILE 319.A N GLY 315.A O no hydrogen 3.419 N/A ARG 320.A N ILE 316.A O no hydrogen 2.839 N/A ARG 320.A NE ASN 317.A OD1 no hydrogen 3.414 N/A ILE 321.A N ASN 317.A O no hydrogen 2.972 N/A ILE 322.A N VAL 318.A O no hydrogen 2.971 N/A GLU 323.A N ILE 319.A O no hydrogen 2.901 N/A ALA 324.A N ARG 320.A O no hydrogen 3.115 N/A ALA 325.A N ILE 321.A O no hydrogen 2.970 N/A MET 326.A N ILE 322.A O no hydrogen 2.966 N/A GLU 327.A N GLU 323.A O no hydrogen 2.954 N/A SER 328.A N ALA 324.A O no hydrogen 2.782 N/A SER 328.A OG ARG 333.A O no hydrogen 2.676 N/A SER 329.A N ALA 325.A O no hydrogen 2.910 N/A SER 329.A OG ASN 188.A OD1 no hydrogen 3.550 N/A SER 329.A OG VAL 189.A O no hydrogen 3.340 N/A LYS 330.A N MET 326.A O no hydrogen 2.971 N/A LYS 330.A NZ GLU 331.A OE2 no hydrogen 2.993 N/A GLU 331.A N GLU 327.A O no hydrogen 2.885 N/A ARG 333.A N SER 328.A O no hydrogen 3.261 N/A THR 334.A OG1 THR 186.A OG1 no hydrogen 2.747 N/A ILE 335.A N VAL 185.A O no hydrogen 2.867 N/A LEU 337.A N LYS 183.A O no hydrogen 2.887 N/A