Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vag_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N MET 1.A O no hydrogen 3.095 N/A CYS 5.A SG MET 1.A O no hydrogen 3.229 N/A GLN 6.A N ASP 9.A OD2 no hydrogen 2.916 N/A GLY 8.A N ILE 17.A O no hydrogen 2.725 N/A ASP 9.A N GLN 6.A O no hydrogen 2.943 N/A LEU 11.A N TYR 15.A O no hydrogen 2.724 N/A ARG 14.A N LEU 11.A O no hydrogen 2.969 N/A ARG 14.A NE ASP 34.A OD1 no hydrogen 2.895 N/A ARG 14.A NE ASP 34.A OD2 no hydrogen 3.473 N/A ARG 14.A NH2 ASP 34.A OD2 no hydrogen 3.122 N/A TYR 15.A N LEU 11.A O no hydrogen 2.831 N/A TYR 15.A OH GLU 83.A OE2 no hydrogen 2.512 N/A GLU 16.A N ILE 33.A O no hydrogen 2.940 N/A ILE 17.A N ASP 9.A O no hydrogen 2.906 N/A VAL 18.A N GLU 31.A O no hydrogen 2.830 N/A ASP 19.A N GLU 31.A O no hydrogen 3.374 N/A LEU 21.A N VAL 29.A O no hydrogen 2.697 N/A GLY 22.A N VAL 29.A O no hydrogen 3.299 N/A GLY 24.A N GLY 27.A O no hydrogen 2.851 N/A GLY 27.A N GLY 24.A O no hydrogen 3.277 N/A LYS 28.A N ILE 46.A O no hydrogen 3.058 N/A VAL 29.A N GLY 22.A O no hydrogen 2.890 N/A VAL 30.A N VAL 44.A O no hydrogen 2.823 N/A GLU 31.A N ASP 19.A O no hydrogen 2.748 N/A CYS 32.A N VAL 42.A O no hydrogen 2.940 N/A ILE 33.A N GLU 16.A O no hydrogen 2.878 N/A ASP 34.A N ARG 40.A O no hydrogen 2.670 N/A HIS 35.A N ARG 14.A O no hydrogen 2.935 N/A HIS 35.A NE2 GLU 16.A OE1 no hydrogen 2.718 N/A LYS 36.A N ASP 34.A OD1 no hydrogen 2.933 N/A ALA 37.A N ASP 34.A O no hydrogen 3.369 N/A GLY 39.A N ASP 34.A O no hydrogen 2.769 N/A ARG 40.A N ALA 37.A O no hydrogen 3.400 N/A HIS 41.A ND1 GLU 31.A OE2 no hydrogen 2.696 N/A VAL 42.A N CYS 32.A O no hydrogen 2.839 N/A ALA 43.A N PHE 95.A O no hydrogen 2.852 N/A VAL 44.A N VAL 30.A O no hydrogen 2.685 N/A LYS 45.A N ILE 93.A O no hydrogen 2.712 N/A LYS 45.A NZ GLU 60.A OE1 no hydrogen 2.627 N/A LYS 45.A NZ GLU 60.A OE2 no hydrogen 3.429 N/A ILE 46.A N LYS 28.A O no hydrogen 2.698 N/A VAL 47.A N ILE 91.A O no hydrogen 2.958 N/A LYS 48.A N PHE 26.A O no hydrogen 2.695 N/A LYS 48.A NZ ALA 25.A O no hydrogen 2.770 N/A TYR 53.A N VAL 50.A O no hydrogen 2.832 N/A CYS 54.A N VAL 50.A O no hydrogen 2.941 N/A CYS 54.A SG LYS 48.A O no hydrogen 3.704 N/A CYS 54.A SG VAL 50.A O no hydrogen 3.633 N/A GLU 55.A N ASP 51.A O no hydrogen 2.901 N/A ALA 56.A N ARG 52.A O no hydrogen 3.229 N/A ALA 57.A N TYR 53.A O no hydrogen 2.915 N/A ARG 58.A N CYS 54.A O no hydrogen 2.930 N/A ARG 58.A NH2 GLU 86.A OE2 no hydrogen 3.228 N/A SER 59.A N GLU 55.A O no hydrogen 3.052 N/A GLU 60.A N ALA 56.A O no hydrogen 2.915 N/A ILE 61.A N ALA 57.A O no hydrogen 2.954 N/A GLN 62.A N ARG 58.A O no hydrogen 3.103 N/A VAL 63.A N SER 59.A O no hydrogen 2.985 N/A LEU 64.A N GLU 60.A O no hydrogen 2.812 N/A GLU 65.A N ILE 61.A O no hydrogen 2.938 N/A HIS 66.A N GLN 62.A O no hydrogen 3.109 N/A HIS 66.A ND1 TYR 182.A OH no hydrogen 2.699 N/A LEU 67.A N VAL 63.A O no hydrogen 2.801 N/A ASN 68.A N LEU 64.A O no hydrogen 2.902 N/A ASN 68.A ND2 VAL 79.A O no hydrogen 3.645 N/A THR 69.A N GLU 65.A O no hydrogen 3.204 N/A THR 69.A OG1 GLU 65.A O no hydrogen 2.960 N/A THR 70.A N HIS 66.A O no hydrogen 2.943 N/A THR 70.A OG1 HIS 66.A O no hydrogen 2.860 N/A ASP 71.A N LEU 67.A O no hydrogen 2.853 N/A SER 74.A N ASP 71.A O no hydrogen 3.095 N/A SER 74.A OG CYS 78.A O no hydrogen 3.287 N/A THR 75.A N ASP 71.A OD1 no hydrogen 2.935 N/A PHE 76.A N ASP 71.A OD2 no hydrogen 2.814 N/A ARG 77.A N SER 74.A O no hydrogen 3.062 N/A ARG 77.A NH1 ILE 172.A O no hydrogen 3.046 N/A CYS 78.A SG SER 129.A OG no hydrogen 3.606 N/A VAL 79.A N VAL 174.A O no hydrogen 2.961 N/A GLN 80.A N GLU 96.A OE2 no hydrogen 3.143 N/A GLN 80.A NE2 PRO 72.A O no hydrogen 3.606 N/A MET 81.A N ASN 68.A OD1 no hydrogen 2.994 N/A LEU 82.A N VAL 94.A O no hydrogen 2.671 N/A PHE 85.A N CYS 92.A O no hydrogen 2.985 N/A HIS 87.A N HIS 90.A O no hydrogen 2.871 N/A HIS 90.A N HIS 87.A O no hydrogen 2.910 N/A HIS 90.A ND1 VAL 47.A O no hydrogen 2.743 N/A CYS 92.A N PHE 85.A O no hydrogen 2.844 N/A CYS 92.A SG HIS 90.A O no hydrogen 3.605 N/A ILE 93.A N LYS 45.A O no hydrogen 2.894 N/A VAL 94.A N GLU 83.A O no hydrogen 2.844 N/A PHE 95.A N ALA 43.A O no hydrogen 2.630 N/A GLU 96.A N GLN 80.A O no hydrogen 3.004 N/A GLY 99.A N PHE 150.A O no hydrogen 2.694 N/A LEU 100.A N SER 153.A OG no hydrogen 3.220 N/A SER 101.A OG ASP 104.A OD2 no hydrogen 2.896 N/A THR 102.A N ILE 148.A O no hydrogen 2.817 N/A THR 102.A OG1 PRO 145.A O no hydrogen 2.684 N/A THR 102.A OG1 ILE 148.A O no hydrogen 3.537 N/A THR 102.A OG1 TYR 221.A OH no hydrogen 2.794 N/A TYR 103.A N PRO 145.A O no hydrogen 3.417 N/A ASP 104.A N SER 101.A OG no hydrogen 3.014 N/A PHE 105.A N SER 101.A O no hydrogen 2.953 N/A ILE 106.A N THR 102.A O no hydrogen 3.108 N/A LYS 107.A N TYR 103.A O no hydrogen 3.011 N/A GLU 108.A N ASP 104.A O no hydrogen 2.918 N/A ASN 109.A N ILE 106.A O no hydrogen 3.211 N/A ASN 109.A ND2 ARG 165.A O no hydrogen 3.384 N/A GLY 110.A N LYS 107.A O no hydrogen 3.106 N/A PHE 111.A N ILE 106.A O no hydrogen 2.716 N/A LEU 112.A N ASN 109.A O no hydrogen 3.186 N/A PHE 114.A N TYR 221.A O no hydrogen 2.886 N/A ILE 119.A N ARG 115.A O no hydrogen 2.942 N/A ARG 120.A N LEU 116.A O no hydrogen 2.897 N/A ARG 120.A NE PHE 325.A O no hydrogen 2.852 N/A ARG 120.A NH1 ASP 117.A OD1.B no hydrogen 3.020 N/A LYS 121.A N ASP 117.A O no hydrogen 3.372 N/A MET 122.A N HIS 118.A O no hydrogen 2.917 N/A ALA 123.A N ILE 119.A O no hydrogen 2.782 N/A TYR 124.A N ARG 120.A O no hydrogen 3.015 N/A GLN 125.A N LYS 121.A O no hydrogen 3.256 N/A GLN 125.A NE2 ASP 171.A OD1 no hydrogen 2.986 N/A ILE 126.A N MET 122.A O no hydrogen 2.888 N/A CYS 127.A N ALA 123.A O no hydrogen 2.849 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.279 N/A LYS 128.A N TYR 124.A O no hydrogen 2.911 N/A SER 129.A N GLN 125.A O no hydrogen 2.867 N/A SER 129.A OG PHE 76.A O no hydrogen 2.999 N/A VAL 130.A N ILE 126.A O no hydrogen 2.896 N/A ASN 131.A N CYS 127.A O no hydrogen 2.869 N/A PHE 132.A N LYS 128.A O no hydrogen 3.061 N/A LEU 133.A N SER 129.A O no hydrogen 3.273 N/A HIS 134.A N VAL 130.A O no hydrogen 2.830 N/A HIS 134.A NE2 ASP 210.A OD2 no hydrogen 2.757 N/A SER 135.A N ASN 131.A O no hydrogen 2.773 N/A SER 135.A OG ASN 131.A O no hydrogen 2.988 N/A ASN 136.A N LEU 133.A O no hydrogen 2.918 N/A ASN 136.A ND2 PHE 132.A O no hydrogen 2.747 N/A LYS 137.A N HIS 134.A O no hydrogen 3.328 N/A LEU 138.A N LEU 133.A O no hydrogen 3.074 N/A THR 139.A N THR 181.A O no hydrogen 2.915 N/A HIS 140.A N ASP 210.A OD2 no hydrogen 2.834 N/A HIS 140.A NE2 VAL 175.A O no hydrogen 2.891 N/A THR 141.A N ASP 210.A OD1 no hydrogen 2.923 N/A THR 141.A OG1 HIS 140.A O no hydrogen 2.660 N/A THR 141.A OG1 SER 179.A O no hydrogen 3.488 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.055 N/A ASN 147.A N LYS 144.A O no hydrogen 2.795 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.781 N/A ASN 147.A ND2 ASP 142.A OD2 no hydrogen 3.260 N/A ILE 148.A N PRO 145.A O no hydrogen 3.193 N/A LEU 149.A N LYS 173.A O no hydrogen 2.926 N/A PHE 150.A N LEU 100.A O no hydrogen 3.007 N/A VAL 151.A N ASP 171.A O no hydrogen 2.935 N/A THR 156.A N THR 166.A O no hydrogen 2.903 N/A ALA 158.A N GLU 164.A O no hydrogen 3.025 N/A ASN 160.A N ARG 162.A O no hydrogen 2.628 N/A ARG 162.A NH1 GLY 110.A O no hydrogen 3.261 N/A GLU 164.A N ALA 158.A O no hydrogen 2.886 N/A ARG 165.A N ASN 109.A OD1 no hydrogen 2.948 N/A THR 166.A N THR 156.A O no hydrogen 2.846 N/A ILE 168.A N ASP 154.A O no hydrogen 3.205 N/A ASP 171.A N ASN 169.A OD1 no hydrogen 2.970 N/A ILE 172.A N GLN 125.A OE1 no hydrogen 2.918 N/A LYS 173.A N LEU 149.A O no hydrogen 2.762 N/A LYS 173.A NZ SER 74.A OG no hydrogen 2.803 N/A LYS 173.A NZ GLU 96.A OE1 no hydrogen 3.463 N/A LYS 173.A NZ GLU 96.A OE2 no hydrogen 2.629 N/A VAL 174.A N ARG 77.A O no hydrogen 2.978 N/A VAL 175.A N ASN 147.A O no hydrogen 3.070 N/A PHE 177.A N GLU 60.A OE2 no hydrogen 2.880 N/A GLY 178.A N ASP 176.A OD1 no hydrogen 3.228 N/A THR 181.A N THR 139.A O no hydrogen 2.844 N/A THR 181.A OG1 SER 179.A O no hydrogen 3.036 N/A TYR 182.A N GLU 185.A OE1 no hydrogen 2.972 N/A TYR 182.A OH HIS 66.A ND1 no hydrogen 2.699 N/A ASP 183.A N LYS 137.A O no hydrogen 2.937 N/A GLU 185.A N TYR 182.A O no hydrogen 3.015 N/A HIS 187.A ND1 GLU 185.A O no hydrogen 2.742 N/A ARG 192.A NE THR 141.A O no hydrogen 2.755 N/A ARG 192.A NH2 THR 141.A OG1 no hydrogen 2.879 N/A HIS 193.A NE2 GLU 220.A OE2 no hydrogen 2.692 N/A TYR 194.A OH GLU 220.A OE2 no hydrogen 2.284 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.747 N/A VAL 199.A N ALA 196.A O no hydrogen 2.949 N/A ILE 200.A N ALA 196.A O no hydrogen 3.104 N/A LEU 201.A N PRO 197.A O no hydrogen 2.845 N/A ALA 202.A N VAL 199.A O no hydrogen 3.163 N/A LEU 203.A N GLU 198.A O no hydrogen 2.961 N/A TRP 205.A NE1 SER 188.A O no hydrogen 2.644 N/A GLN 207.A NE2 LEU 138.A O no hydrogen 3.127 N/A GLN 207.A NE2 ASP 183.A OD1 no hydrogen 2.808 N/A CYS 209.A N SER 206.A O no hydrogen 2.929 N/A CYS 209.A SG SER 206.A O no hydrogen 3.189 N/A ASP 210.A N GLN 207.A O no hydrogen 2.948 N/A TRP 212.A N PRO 208.A O no hydrogen 3.177 N/A SER 213.A N CYS 209.A O no hydrogen 3.228 N/A SER 213.A OG TYR 194.A O no hydrogen 3.258 N/A SER 213.A OG CYS 209.A O no hydrogen 3.212 N/A ILE 214.A N ASP 210.A O no hydrogen 2.939 N/A GLY 215.A N VAL 211.A O no hydrogen 2.957 N/A CYS 216.A N TRP 212.A O no hydrogen 3.181 N/A CYS 216.A SG TRP 212.A O no hydrogen 3.493 N/A ILE 217.A N SER 213.A O no hydrogen 2.849 N/A LEU 218.A N ILE 214.A O no hydrogen 2.958 N/A ILE 219.A N GLY 215.A O no hydrogen 3.124 N/A GLU 220.A N CYS 216.A O no hydrogen 2.978 N/A TYR 221.A N ILE 217.A O no hydrogen 2.884 N/A TYR 221.A OH THR 102.A OG1 no hydrogen 2.794 N/A TYR 222.A N LEU 218.A O no hydrogen 3.066 N/A TYR 222.A OH HIS 296.A ND1 no hydrogen 2.615 N/A LEU 223.A N ILE 219.A O no hydrogen 2.915 N/A GLY 224.A N GLU 220.A O no hydrogen 2.802 N/A PHE 228.A N THR 226.A OG1 no hydrogen 2.915 N/A THR 230.A N PHE 228.A O no hydrogen 2.823 N/A THR 230.A OG1 GLU 235.A OE1 no hydrogen 2.475 N/A ASP 232.A N THR 230.A OG1 no hydrogen 3.181 N/A GLU 235.A N ASP 232.A OD2 no hydrogen 3.019 N/A HIS 236.A N ASP 232.A O no hydrogen 2.895 N/A LEU 237.A N SER 233.A O no hydrogen 3.112 N/A ALA 238.A N LYS 234.A O no hydrogen 2.915 N/A MET 239.A N GLU 235.A O no hydrogen 2.807 N/A MET 240.A N HIS 236.A O no hydrogen 2.892 N/A GLU 241.A N LEU 237.A O no hydrogen 3.062 N/A ARG 242.A N ALA 238.A O no hydrogen 3.210 N/A ILE 243.A N MET 239.A O no hydrogen 2.965 N/A LEU 244.A N MET 240.A O no hydrogen 2.664 N/A GLY 245.A N GLU 241.A O no hydrogen 2.901 N/A LEU 247.A N GLU 241.A OE2 no hydrogen 3.046 N/A HIS 250.A NE2 ASP 310.A OD1 no hydrogen 2.537 N/A MET 251.A N PRO 248.A O no hydrogen 3.019 N/A ILE 252.A N PRO 248.A O no hydrogen 3.184 N/A GLN 253.A N LYS 249.A O no hydrogen 2.777 N/A LYS 254.A N HIS 250.A O no hydrogen 3.296 N/A THR 255.A N MET 251.A O no hydrogen 3.190 N/A THR 255.A OG1 LEU 201.A O no hydrogen 2.713 N/A LYS 257.A N THR 255.A OG1 no hydrogen 3.016 N/A ARG 258.A NH2 HIS 263.A O no hydrogen 2.990 N/A TYR 260.A N LYS 257.A O no hydrogen 3.390 N/A PHE 261.A N ARG 258.A O no hydrogen 2.872 N/A HIS 262.A N ARG 265.A O no hydrogen 3.028 N/A HIS 263.A ND1 HIS 262.A ND1 no hydrogen 3.218 N/A ASP 264.A N ASP 264.A OD1 no hydrogen 2.537 N/A ARG 265.A N HIS 262.A O no hydrogen 3.335 N/A ASP 267.A N TYR 260.A O no hydrogen 2.818 N/A HIS 271.A N ASP 269.A OD1 no hydrogen 3.164 N/A SER 272.A N ASP 269.A O no hydrogen 3.356 N/A SER 272.A OG ASP 269.A O no hydrogen 3.104 N/A GLY 275.A N SER 272.A OG no hydrogen 3.015 N/A ARG 276.A N SER 272.A O no hydrogen 2.760 N/A ARG 276.A NH1 HIS 271.A O no hydrogen 2.859 N/A TYR 277.A N SER 273.A O no hydrogen 3.179 N/A VAL 278.A N ALA 274.A O no hydrogen 2.906 N/A SER 279.A N GLY 275.A O no hydrogen 3.023 N/A SER 279.A OG GLY 275.A O no hydrogen 3.141 N/A ARG 280.A N ARG 276.A O no hydrogen 3.184 N/A ALA 281.A N TYR 277.A O no hydrogen 2.720 N/A CYS 282.A N VAL 278.A O no hydrogen 2.999 N/A CYS 282.A SG VAL 227.A O no hydrogen 3.868 N/A LYS 283.A NZ GLU 287.A O no hydrogen 3.330 N/A LEU 285.A N ILE 243.A O no hydrogen 2.887 N/A GLU 287.A N PRO 284.A O no hydrogen 2.963 N/A PHE 288.A N LEU 285.A O no hydrogen 2.914 N/A MET 289.A N LYS 286.A O no hydrogen 3.237 N/A LEU 290.A N TYR 222.A OH no hydrogen 2.769 N/A ASP 293.A N SER 291.A OG no hydrogen 2.975 N/A GLU 295.A N ASP 293.A OD2 no hydrogen 3.182 N/A HIS 296.A N ASP 293.A O no hydrogen 3.060 N/A HIS 296.A ND1 TYR 222.A OH no hydrogen 2.615 N/A GLU 297.A N ASP 293.A O no hydrogen 3.105 N/A ARG 298.A N VAL 294.A O no hydrogen 2.797 N/A LEU 299.A N GLU 295.A O no hydrogen 3.006 N/A PHE 300.A N HIS 296.A O no hydrogen 2.907 N/A ASP 301.A N GLU 297.A O no hydrogen 2.981 N/A LEU 302.A N ARG 298.A O no hydrogen 3.187 N/A ILE 303.A N LEU 299.A O no hydrogen 2.936 N/A GLN 304.A N PHE 300.A O no hydrogen 2.947 N/A LYS 305.A N ASP 301.A O no hydrogen 3.149 N/A LYS 305.A NZ ASP 301.A OD2 no hydrogen 3.191 N/A MET 306.A N LEU 302.A O no hydrogen 2.934 N/A LEU 307.A N ILE 303.A O no hydrogen 2.903 N/A GLU 308.A N LYS 305.A O no hydrogen 3.422 N/A TYR 309.A OH GLY 245.A O no hydrogen 2.543 N/A ASP 310.A N GLU 308.A OE2 no hydrogen 3.065 N/A LYS 313.A N ASP 310.A OD2 no hydrogen 3.027 N/A ARG 314.A N ASP 310.A O no hydrogen 2.949 N/A ARG 314.A NE GLU 308.A O no hydrogen 2.819 N/A ARG 314.A NH1 GLU 198.A OE1 no hydrogen 3.531 N/A ARG 314.A NH1 GLU 198.A OE2 no hydrogen 2.829 N/A ARG 314.A NH1 PRO 208.A O no hydrogen 2.876 N/A ARG 314.A NH2 GLU 198.A OE1 no hydrogen 2.895 N/A ARG 314.A NH2 GLU 308.A O no hydrogen 3.054 N/A THR 316.A N GLU 319.A OE1 no hydrogen 3.052 N/A GLU 319.A N THR 316.A OG1 no hydrogen 3.212 N/A ALA 320.A N THR 316.A O no hydrogen 2.887 N/A LEU 321.A N LEU 317.A O no hydrogen 2.894 N/A LYS 322.A N GLU 319.A O no hydrogen 2.909 N/A HIS 323.A N ALA 320.A O no hydrogen 2.955 N/A HIS 323.A NE2 ASP 301.A OD2 no hydrogen 2.749 N/A PHE 325.A N HIS 323.A ND1 no hydrogen 2.995 N/A PHE 326.A N HIS 323.A O no hydrogen 2.900 N/A ASP 327.A N PRO 324.A O no hydrogen 2.923 N/A LEU 329.A N PHE 326.A O no hydrogen 2.968 N/A LYS 330.A N ASP 327.A O no hydrogen 2.975 N/A