Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8vat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 131.A O no hydrogen 3.006 N/A ILE 2.A N SER 134.A O no hydrogen 2.998 N/A LEU 4.A N GLN 136.A O no hydrogen 2.874 N/A GLN 12.A N GLN 8.A O no hydrogen 2.918 N/A LEU 13.A N LEU 9.A O no hydrogen 2.704 N/A ASN 14.A N ARG 10.A O no hydrogen 2.783 N/A GLU 15.A N ALA 11.A O no hydrogen 2.928 N/A GLY 16.A N GLN 12.A O no hydrogen 3.028 N/A ALA 19.A N ARG 133.A O no hydrogen 3.165 N/A TYR 21.A N LEU 110.A O no hydrogen 2.685 N/A LEU 22.A N VAL 135.A O no hydrogen 2.900 N/A LEU 23.A N VAL 112.A O no hydrogen 2.425 N/A LEU 24.A N VAL 137.A O no hydrogen 2.975 N/A GLY 25.A N GLY 114.A O no hydrogen 3.170 N/A ASP 27.A N CYS 139.A O no hydrogen 3.471 N/A LEU 29.A N ASP 27.A OD1 no hydrogen 2.974 N/A LEU 30.A N ASP 27.A OD1 no hydrogen 3.494 N/A LEU 31.A N ASP 27.A O no hydrogen 3.226 N/A GLN 32.A N PRO 28.A O no hydrogen 2.918 N/A GLU 33.A N LEU 29.A O no hydrogen 2.906 N/A SER 34.A N LEU 30.A O no hydrogen 2.931 N/A SER 34.A OG LEU 30.A O no hydrogen 2.854 N/A GLN 35.A N LEU 31.A O no hydrogen 2.896 N/A ASP 36.A N GLN 32.A O no hydrogen 2.914 N/A ALA 37.A N GLU 33.A O no hydrogen 2.924 N/A VAL 38.A N SER 34.A O no hydrogen 2.895 N/A ARG 39.A N GLN 35.A O no hydrogen 2.901 N/A ARG 39.A NH2 HIS 51.A O no hydrogen 2.754 N/A GLN 40.A N ASP 36.A O no hydrogen 2.913 N/A VAL 41.A N ALA 37.A O no hydrogen 2.947 N/A ALA 42.A N VAL 38.A O no hydrogen 2.890 N/A ALA 43.A N ARG 39.A O no hydrogen 2.878 N/A ALA 44.A N GLN 40.A O no hydrogen 2.939 N/A GLN 45.A N VAL 41.A O no hydrogen 3.214 N/A GLY 46.A N ALA 43.A O no hydrogen 3.189 N/A PHE 47.A N ALA 42.A O no hydrogen 2.796 N/A GLU 48.A N ARG 77.A O no hydrogen 3.088 N/A HIS 51.A NE2 GLU 49.A OE2 no hydrogen 2.838 N/A ILE 55.A N LEU 83.A O no hydrogen 2.694 N/A ASN 58.A N ASP 56.A OD2 no hydrogen 3.219 N/A THR 59.A N ASP 56.A O no hydrogen 3.147 N/A ALA 63.A N ASP 60.A OD1 no hydrogen 2.664 N/A PHE 65.A N TRP 61.A O no hydrogen 2.941 N/A SER 66.A N ASN 62.A O no hydrogen 2.879 N/A SER 66.A OG ASN 62.A O no hydrogen 3.139 N/A SER 66.A OG ALA 63.A O no hydrogen 2.618 N/A LEU 67.A N ALA 63.A O no hydrogen 2.923 N/A CYS 68.A N ILE 64.A O no hydrogen 2.912 N/A CYS 68.A SG PHE 65.A O no hydrogen 3.053 N/A CYS 68.A SG LEU 103.A O no hydrogen 3.181 N/A GLN 69.A N PHE 65.A O no hydrogen 2.944 N/A ALA 70.A N SER 66.A O no hydrogen 2.891 N/A SER 72.A OG GLU 49.A OE1 no hydrogen 3.271 N/A SER 72.A OG PHE 74.A O no hydrogen 2.290 N/A SER 72.A OG ALA 75.A O no hydrogen 3.276 N/A GLN 78.A NE2 LEU 67.A O no hydrogen 3.160 N/A THR 79.A N GLU 49.A O no hydrogen 3.041 N/A THR 79.A OG1 LEU 109.A O no hydrogen 2.946 N/A LEU 80.A N LEU 109.A O no hydrogen 2.755 N/A LEU 82.A N ILE 111.A O no hydrogen 2.968 N/A LEU 83.A N PHE 53.A O no hydrogen 2.771 N/A LEU 84.A N ARG 113.A O no hydrogen 2.610 N/A ALA 92.A N ASN 90.A OD1 no hydrogen 3.011 N/A ILE 93.A N ASN 90.A O no hydrogen 2.654 N/A ASN 94.A N ASN 90.A O no hydrogen 3.031 N/A LEU 97.A N ILE 93.A O no hydrogen 2.866 N/A LEU 98.A N ASN 94.A O no hydrogen 2.883 N/A THR 99.A N GLU 95.A O no hydrogen 2.918 N/A THR 99.A OG1 GLN 96.A O no hydrogen 2.337 N/A LEU 100.A N GLN 96.A O no hydrogen 2.933 N/A THR 101.A N LEU 97.A O no hydrogen 2.863 N/A THR 101.A OG1 LEU 97.A O no hydrogen 2.612 N/A GLY 102.A N LEU 98.A O no hydrogen 2.908 N/A GLY 102.A N THR 99.A O no hydrogen 2.754 N/A LEU 103.A N THR 99.A O no hydrogen 2.594 N/A LEU 108.A N HIS 105.A O no hydrogen 3.243 N/A LEU 109.A N GLN 78.A O no hydrogen 3.205 N/A LEU 110.A N ALA 19.A O no hydrogen 3.300 N/A ILE 111.A N LEU 80.A O no hydrogen 2.797 N/A VAL 112.A N TYR 21.A O no hydrogen 2.659 N/A ARG 113.A N LEU 82.A O no hydrogen 3.017 N/A ARG 113.A NH1 GLN 35.A OE1 no hydrogen 3.324 N/A GLY 114.A N LEU 23.A O no hydrogen 3.154 N/A ASN 115.A ND2 GLU 86.A O no hydrogen 3.413 N/A SER 118.A OG GLN 121.A OE1 no hydrogen 2.663 N/A SER 118.A OG GLU 122.A OE1 no hydrogen 2.562 N/A GLN 121.A N SER 118.A O no hydrogen 2.792 N/A GLU 122.A N SER 118.A O no hydrogen 2.716 N/A PHE 127.A N ALA 124.A O no hydrogen 2.745 N/A ALA 129.A N ALA 125.A O no hydrogen 3.043 N/A LEU 130.A N TRP 126.A O no hydrogen 2.983 N/A ALA 131.A N PHE 127.A O no hydrogen 2.833 N/A ASN 132.A N THR 128.A O no hydrogen 2.955 N/A ARG 133.A N LEU 130.A O no hydrogen 2.971 N/A SER 134.A OG LEU 130.A O no hydrogen 2.745 N/A VAL 135.A N ALA 20.A O no hydrogen 3.149 N/A GLN 136.A N ILE 2.A O no hydrogen 2.862 N/A VAL 137.A N LEU 22.A O no hydrogen 2.777 N/A THR 138.A N LEU 4.A O no hydrogen 2.923 N/A THR 138.A OG1 LEU 4.A O no hydrogen 3.527 N/A CYS 139.A N LEU 24.A O no hydrogen 2.677 N/A CYS 139.A SG SER 34.A OG no hydrogen 3.261 N/A THR 141.A N ASN 26.A OD1 no hydrogen 2.955 N/A THR 141.A OG1 ASP 27.A OD2 no hydrogen 2.732 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.837 N/A GLN 146.A N GLU 143.A O no hydrogen 3.061 N/A LEU 147.A N GLU 143.A O no hydrogen 2.701 N/A TRP 150.A N GLN 146.A O no hydrogen 3.474 N/A VAL 151.A N LEU 147.A O no hydrogen 2.906 N/A ALA 152.A N PRO 148.A O no hydrogen 2.914 N/A ALA 153.A N ARG 149.A O no hydrogen 2.887 N/A ARG 154.A N TRP 150.A O no hydrogen 2.903 N/A ALA 155.A N VAL 151.A O no hydrogen 2.882 N/A LYS 156.A N ALA 152.A O no hydrogen 2.904 N/A GLN 157.A N ALA 153.A O no hydrogen 2.905 N/A LEU 158.A N ARG 154.A O no hydrogen 2.924 N/A ASN 159.A N LYS 156.A O no hydrogen 3.301 N/A LEU 160.A N ALA 155.A O no hydrogen 2.743 N/A GLU 161.A N GLY 195.A O no hydrogen 2.926 N/A ALA 166.A N ASP 163.A OD1 no hydrogen 2.907 N/A ASN 167.A N ASP 163.A O no hydrogen 3.066 N/A ASN 167.A ND2 PRO 148.A O no hydrogen 2.839 N/A GLN 168.A N ASP 164.A O no hydrogen 2.899 N/A VAL 169.A N ALA 165.A O no hydrogen 2.941 N/A LEU 170.A N ALA 166.A O no hydrogen 2.916 N/A CYS 171.A N ASN 167.A O no hydrogen 2.879 N/A CYS 171.A SG ASN 167.A O no hydrogen 3.096 N/A CYS 171.A SG ASN 167.A OD1 no hydrogen 3.327 N/A TYR 172.A N VAL 169.A O no hydrogen 3.002 N/A CYS 173.A N VAL 169.A O no hydrogen 2.966 N/A CYS 173.A SG VAL 169.A O no hydrogen 4.049 N/A TYR 174.A N LEU 170.A O no hydrogen 3.152 N/A TYR 174.A OH ASN 207.A OD1 no hydrogen 2.312 N/A LEU 181.A N ASN 177.A O no hydrogen 2.829 N/A ALA 182.A N LEU 178.A O no hydrogen 2.886 N/A GLN 183.A N LEU 179.A O no hydrogen 2.950 N/A ALA 184.A N ALA 180.A O no hydrogen 2.806 N/A LEU 185.A N LEU 181.A O no hydrogen 2.964 N/A GLU 186.A N ALA 182.A O no hydrogen 2.921 N/A ARG 187.A N GLN 183.A O no hydrogen 2.835 N/A LEU 188.A N ALA 184.A O no hydrogen 2.880 N/A SER 189.A N LEU 185.A O no hydrogen 2.907 N/A LEU 190.A N GLU 186.A O no hydrogen 2.912 N/A LEU 191.A N ARG 187.A O no hydrogen 2.848 N/A TRP 192.A N LEU 188.A O no hydrogen 3.182 N/A LEU 197.A N GLU 161.A O no hydrogen 3.052 N/A ARG 201.A NH2 ASP 194.A OD2 no hydrogen 3.113 N/A VAL 202.A N THR 198.A O no hydrogen 3.402 N/A GLU 203.A N LEU 199.A O no hydrogen 2.926 N/A GLN 204.A N PRO 200.A O no hydrogen 2.911 N/A ASN 207.A N TYR 174.A OH no hydrogen 3.160 N/A ALA 209.A N ASN 207.A O no hydrogen 2.921 N/A THR 213.A OG1 HIS 216.A ND1 no hydrogen 2.847 N/A HIS 216.A N THR 213.A O no hydrogen 2.743 N/A HIS 216.A ND1 THR 213.A OG1 no hydrogen 2.847 N/A TRP 217.A NE1 SER 328.A OG no hydrogen 2.951 N/A VAL 218.A N PRO 214.A O no hydrogen 2.937 N/A ASP 219.A N PHE 215.A O no hydrogen 2.901 N/A ALA 220.A N HIS 216.A O no hydrogen 2.898 N/A LEU 221.A N TRP 217.A O no hydrogen 2.930 N/A LEU 222.A N VAL 218.A O no hydrogen 2.925 N/A MET 223.A N ASP 219.A O no hydrogen 2.916 N/A GLY 224.A N LEU 221.A O no hydrogen 2.920 N/A LYS 225.A N ALA 220.A O no hydrogen 3.222 N/A ARG 228.A NH1 GLU 175.A OE1 no hydrogen 2.566 N/A ARG 228.A NH1 GLU 175.A OE2 no hydrogen 2.868 N/A ARG 228.A NH2 GLU 175.A OE1 no hydrogen 3.067 N/A ALA 229.A N LYS 225.A O no hydrogen 3.022 N/A LEU 230.A N SER 226.A O no hydrogen 2.921 N/A HIS 231.A N LYS 227.A O no hydrogen 2.875 N/A HIS 231.A NE2 ASP 208.A OD1 no hydrogen 2.976 N/A ILE 232.A N ARG 228.A O no hydrogen 2.948 N/A LEU 233.A N ALA 229.A O no hydrogen 2.904 N/A GLN 234.A N LEU 230.A O no hydrogen 2.915 N/A GLN 235.A N HIS 231.A O no hydrogen 2.916 N/A GLN 235.A NE2 GLN 235.A O no hydrogen 3.181 N/A LEU 236.A N ILE 232.A O no hydrogen 2.935 N/A ARG 237.A N LEU 233.A O no hydrogen 2.930 N/A LEU 238.A N GLN 234.A O no hydrogen 2.943 N/A GLU 239.A N GLN 235.A O no hydrogen 2.885 N/A GLY 240.A N ARG 237.A O no hydrogen 3.116 N/A SER 241.A N LEU 236.A O no hydrogen 2.969 N/A SER 241.A OG GLU 242.A O no hydrogen 3.532 N/A ILE 245.A N GLU 242.A O no hydrogen 3.192 N/A LEU 247.A N PRO 243.A O no hydrogen 2.891 N/A ARG 248.A N VAL 244.A O no hydrogen 2.943 N/A ARG 248.A NE GLN 251.A OE1 no hydrogen 2.695 N/A ARG 248.A NH1 GLU 309.A OE1 no hydrogen 3.027 N/A ARG 248.A NH1 GLU 309.A OE2 no hydrogen 3.368 N/A ARG 248.A NH2 GLN 251.A OE1 no hydrogen 3.096 N/A ARG 248.A NH2 GLU 309.A OE1 no hydrogen 2.370 N/A THR 249.A N ILE 245.A O no hydrogen 2.942 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.727 N/A LEU 250.A N LEU 246.A O no hydrogen 2.916 N/A GLN 251.A N LEU 247.A O no hydrogen 2.831 N/A ARG 252.A N ARG 248.A O no hydrogen 3.023 N/A LEU 254.A N LEU 250.A O no hydrogen 2.881 N/A LEU 255.A N GLN 251.A O no hydrogen 2.881 N/A LEU 256.A N ARG 252.A O no hydrogen 2.989 N/A LEU 257.A N GLU 253.A O no hydrogen 2.848 N/A VAL 258.A N LEU 254.A O no hydrogen 2.910 N/A ASN 259.A N LEU 255.A O no hydrogen 2.939 N/A LEU 260.A N LEU 256.A O no hydrogen 2.892 N/A LYS 261.A N LEU 257.A O no hydrogen 2.899 N/A ARG 262.A N VAL 258.A O no hydrogen 2.952 N/A GLN 263.A N ASN 259.A O no hydrogen 2.918 N/A SER 264.A OG LYS 261.A O no hydrogen 3.126 N/A HIS 266.A N GLN 263.A O no hydrogen 3.240 N/A THR 267.A N GLN 263.A O no hydrogen 3.324 N/A LEU 272.A N PRO 268.A O no hydrogen 3.407 N/A PHE 273.A N LEU 269.A O no hydrogen 2.896 N/A ASP 274.A N ARG 270.A O no hydrogen 2.936 N/A LYS 275.A N ALA 271.A O no hydrogen 2.854 N/A LYS 275.A NZ LYS 275.A O no hydrogen 2.400 N/A HIS 276.A N LEU 272.A O no hydrogen 2.990 N/A ARG 277.A N ASP 274.A O no hydrogen 3.484 N/A VAL 278.A N PHE 273.A O no hydrogen 3.455 N/A ARG 282.A N ASN 281.A OD1 no hydrogen 2.508 N/A ARG 282.A NH2 GLU 253.A OE2 no hydrogen 2.601 N/A ARG 283.A N TRP 279.A O no hydrogen 2.492 N/A GLY 284.A N GLN 280.A O no hydrogen 2.948 N/A MET 286.A N ARG 282.A O no hydrogen 2.930 N/A GLY 287.A N ARG 283.A O no hydrogen 2.888 N/A GLU 288.A N GLY 284.A O no hydrogen 2.951 N/A ALA 289.A N MET 285.A O no hydrogen 2.892 N/A LEU 290.A N MET 286.A O no hydrogen 2.897 N/A ARG 292.A N ALA 289.A O no hydrogen 3.030 N/A ARG 292.A NH1 LEU 331.A O no hydrogen 3.076 N/A ARG 292.A NH2 LEU 222.A O no hydrogen 3.155 N/A ARG 292.A NH2 LEU 331.A O no hydrogen 3.076 N/A GLN 300.A N THR 296.A O no hydrogen 3.100 N/A ALA 301.A N GLN 297.A O no hydrogen 2.842 N/A GLN 303.A N ARG 299.A O no hydrogen 2.888 N/A LEU 304.A N GLN 300.A O no hydrogen 2.944 N/A LEU 305.A N ALA 301.A O no hydrogen 2.832 N/A THR 306.A N VAL 302.A O no hydrogen 2.889 N/A THR 306.A OG1 VAL 302.A O no hydrogen 2.699 N/A ARG 307.A N GLN 303.A O no hydrogen 2.951 N/A THR 308.A N LEU 304.A O no hydrogen 2.926 N/A THR 308.A OG1 LEU 305.A O no hydrogen 2.652 N/A GLU 309.A N LEU 305.A O no hydrogen 2.891 N/A LEU 310.A N THR 306.A O no hydrogen 2.927 N/A THR 311.A N ARG 307.A O no hydrogen 2.963 N/A THR 311.A OG1 ARG 307.A O no hydrogen 3.231 N/A LEU 312.A N THR 308.A O no hydrogen 2.867 N/A LYS 313.A N GLU 309.A O no hydrogen 2.920 N/A GLN 314.A N LEU 310.A O no hydrogen 2.951 N/A SER 319.A OG SER 319.A O no hydrogen 2.553 N/A LEU 324.A N VAL 320.A O no hydrogen 2.886 N/A GLU 325.A N TRP 321.A O no hydrogen 2.893 N/A GLY 326.A N ALA 322.A O no hydrogen 2.936 N/A LEU 327.A N GLU 323.A O no hydrogen 2.968 N/A SER 328.A N LEU 324.A O no hydrogen 2.847 N/A SER 328.A OG LEU 324.A O no hydrogen 2.777 N/A LEU 329.A N GLU 325.A O no hydrogen 2.930 N/A LEU 330.A N GLY 326.A O no hydrogen 2.923 N/A LEU 330.A N LEU 327.A O no hydrogen 3.149 N/A LEU 331.A N LEU 327.A O no hydrogen 3.261 N/A CYS 332.A SG SER 328.A O no hydrogen 3.237 N/A CYS 332.A SG LEU 329.A O no hydrogen 3.237 N/A ILE 341.A N ALA 337.A O no hydrogen 3.302 N/A ASP 342.A N ASP 338.A O no hydrogen 2.901 N/A GLY 343.A N VAL 339.A O no hydrogen 3.166 N/A