Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ats_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N THR 1.A O no hydrogen 2.857 N/A ILE 6.A N LEU 2.A O no hydrogen 2.942 N/A SER 7.A N PRO 3.A O no hydrogen 2.888 N/A SER 7.A OG PRO 20.A O no hydrogen 3.222 N/A ARG 8.A N ALA 4.A O no hydrogen 3.012 N/A TRP 9.A N VAL 5.A O no hydrogen 3.090 N/A LEU 10.A N ILE 6.A O no hydrogen 2.837 N/A SER 11.A N SER 7.A O no hydrogen 2.831 N/A SER 11.A OG SER 7.A O no hydrogen 3.123 N/A SER 12.A N ARG 8.A O no hydrogen 3.065 N/A SER 12.A OG TRP 9.A O no hydrogen 2.706 N/A VAL 13.A N LEU 10.A O no hydrogen 3.001 N/A LEU 14.A N LEU 10.A O no hydrogen 2.970 N/A ALA 18.A N PRO 15.A O no hydrogen 2.998 N/A GLU 21.A N ARG 43.A O no hydrogen 2.708 N/A THR 23.A N THR 41.A O no hydrogen 2.954 N/A GLU 25.A N ILE 39.A O no hydrogen 2.835 N/A SER 26.A N ILE 39.A O no hydrogen 3.104 N/A SER 26.A OG VAL 28.A O no hydrogen 3.520 N/A ASP 29.A N MET 33.A O no hydrogen 2.851 N/A THR 31.A N ASP 29.A OD2 no hydrogen 2.965 N/A THR 31.A OG1 ASP 29.A OD2 no hydrogen 2.859 N/A GLY 32.A N ASP 29.A O no hydrogen 2.854 N/A MET 33.A N ASP 29.A OD2 no hydrogen 2.975 N/A SER 35.A N GLY 27.A O no hydrogen 3.196 N/A SER 35.A OG THR 37.A O no hydrogen 2.730 N/A ILE 38.A N ALA 57.A O no hydrogen 2.875 N/A ILE 39.A N SER 26.A O no hydrogen 2.868 N/A LEU 40.A N LEU 55.A O no hydrogen 2.755 N/A THR 41.A N THR 23.A O no hydrogen 2.849 N/A ALA 42.A N GLN 53.A O no hydrogen 2.855 N/A ARG 43.A N GLU 21.A O no hydrogen 2.887 N/A TRP 44.A N ILE 51.A O no hydrogen 2.985 N/A GLN 45.A N ALA 18.A O no hydrogen 2.908 N/A GLN 45.A NE2 SER 50.A OG no hydrogen 2.693 N/A GLN 46.A N ARG 49.A O no hydrogen 2.865 N/A ARG 49.A N GLN 46.A O no hydrogen 3.032 N/A ILE 51.A N TRP 44.A O no hydrogen 2.784 N/A GLN 53.A N ALA 42.A O no hydrogen 2.795 N/A LEU 55.A N LEU 40.A O no hydrogen 2.879 N/A VAL 56.A N MET 112.A O no hydrogen 2.789 N/A ALA 57.A N ILE 38.A O no hydrogen 2.809 N/A ARG 58.A N PHE 110.A O no hydrogen 2.806 N/A ARG 58.A NH1 GLU 36.A OE1 no hydrogen 3.175 N/A ARG 58.A NH2 GLU 36.A OE1 no hydrogen 3.234 N/A ALA 60.A N PRO 108.A O no hydrogen 2.930 N/A ALA 62.A N ASP 65.A OD2 no hydrogen 2.799 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.788 N/A ASP 65.A N ALA 62.A O no hydrogen 2.922 N/A VAL 66.A N ALA 63.A O no hydrogen 2.881 N/A PHE 69.A N TYR 72.A OH no hydrogen 3.099 N/A ARG 73.A NE ASP 75.A OD1 no hydrogen 2.940 N/A ARG 73.A NH2 ASP 75.A OD2 no hydrogen 2.864 N/A HIS 76.A N ARG 73.A O no hydrogen 2.953 N/A GLN 77.A N ARG 73.A O no hydrogen 3.189 N/A PHE 78.A N LEU 74.A O no hydrogen 3.090 N/A GLU 79.A N ASP 75.A O no hydrogen 3.098 N/A VAL 80.A N HIS 76.A O no hydrogen 3.056 N/A ILE 81.A N GLN 77.A O no hydrogen 2.954 N/A ARG 82.A N PHE 78.A O no hydrogen 2.986 N/A ARG 82.A NE GLU 79.A OE1 no hydrogen 2.933 N/A ARG 82.A NH2 GLU 79.A OE2 no hydrogen 2.882 N/A LEU 83.A N GLU 79.A O no hydrogen 2.919 N/A VAL 84.A N VAL 80.A O no hydrogen 2.743 N/A GLY 85.A N ILE 81.A O no hydrogen 3.039 N/A GLU 86.A N ARG 82.A O no hydrogen 2.971 N/A LEU 87.A N LEU 83.A O no hydrogen 2.794 N/A THR 88.A N VAL 84.A O no hydrogen 3.113 N/A THR 88.A OG1 VAL 84.A O no hydrogen 2.699 N/A VAL 90.A N THR 88.A OG1 no hydrogen 3.017 N/A ARG 96.A N LEU 111.A O no hydrogen 2.895 N/A ARG 96.A NH1 ASP 113.A OD1 no hydrogen 3.004 N/A TRP 97.A N LEU 111.A O no hydrogen 3.360 N/A GLU 99.A N PHE 109.A O no hydrogen 2.932 N/A THR 101.A N GLU 99.A OE1 no hydrogen 2.979 N/A THR 101.A OG1 GLU 99.A OE1 no hydrogen 2.712 N/A THR 101.A OG1 GLU 99.A OE2 no hydrogen 3.227 N/A GLY 102.A N GLU 99.A OE2 no hydrogen 2.771 N/A ASP 103.A N THR 101.A OG1 no hydrogen 2.914 N/A GLY 106.A N GLY 102.A O no hydrogen 3.066 N/A THR 107.A OG1 ALA 60.A O no hydrogen 3.331 N/A PHE 109.A N GLU 99.A O no hydrogen 3.242 N/A PHE 110.A N ARG 58.A O no hydrogen 2.866 N/A LEU 111.A N TRP 97.A O no hydrogen 2.745 N/A MET 112.A N VAL 56.A O no hydrogen 2.807 N/A ASP 113.A N ARG 94.A O no hydrogen 2.902 N/A TYR 114.A N LYS 54.A O no hydrogen 3.247 N/A VAL 118.A N TYR 231.A O no hydrogen 2.932 N/A TYR 126.A OH HIS 261.A ND1 no hydrogen 2.660 N/A THR 127.A OG1 PHE 264.A O no hydrogen 2.817 N/A PHE 128.A N PRO 125.A O no hydrogen 2.843 N/A GLY 129.A N TYR 126.A O no hydrogen 3.235 N/A ASN 131.A ND2 TYR 126.A O no hydrogen 2.925 N/A ASN 131.A ND2 GLY 129.A O no hydrogen 3.137 N/A TRP 132.A NE1 VAL 119.A O no hydrogen 3.034 N/A PHE 133.A N ASN 131.A OD1 no hydrogen 3.009 N/A ALA 134.A N ASN 131.A OD1 no hydrogen 3.014 N/A ASP 135.A N ASN 131.A O no hydrogen 3.066 N/A ALA 136.A N PHE 133.A O no hydrogen 3.354 N/A GLU 139.A N GLU 139.A OE2 no hydrogen 2.798 N/A ARG 140.A NE GLN 143.A OE1 no hydrogen 2.745 N/A ARG 140.A NH2 GLN 143.A OE1 no hydrogen 3.169 N/A ARG 140.A NH2 ASP 233.A OD2 no hydrogen 2.590 N/A GLN 141.A N PRO 137.A O no hydrogen 3.048 N/A ARG 142.A N ALA 138.A O no hydrogen 2.996 N/A ARG 142.A NE ASP 146.A OD1 no hydrogen 3.179 N/A ARG 142.A NE ASP 146.A OD2 no hydrogen 3.453 N/A GLN 143.A N GLU 139.A O no hydrogen 2.987 N/A GLN 143.A NE2 GLN 235.A OE1 no hydrogen 3.622 N/A LEU 144.A N ARG 140.A O no hydrogen 3.027 N/A GLN 145.A N GLN 141.A O no hydrogen 2.895 N/A ASP 146.A N ARG 142.A O no hydrogen 3.034 N/A ALA 147.A N GLN 143.A O no hydrogen 2.958 N/A THR 148.A N LEU 144.A O no hydrogen 2.923 N/A THR 148.A OG1 LEU 144.A O no hydrogen 2.812 N/A THR 148.A OG1 TYR 231.A OH no hydrogen 2.708 N/A VAL 149.A N GLN 145.A O no hydrogen 2.833 N/A ALA 150.A N ASP 146.A O no hydrogen 2.947 N/A ALA 151.A N ALA 147.A O no hydrogen 3.014 N/A LEU 152.A N THR 148.A O no hydrogen 3.146 N/A ALA 153.A N VAL 149.A O no hydrogen 2.897 N/A THR 154.A N ALA 150.A O no hydrogen 2.977 N/A THR 154.A OG1 ALA 150.A O no hydrogen 3.018 N/A LEU 155.A N ALA 151.A O no hydrogen 3.066 N/A HIS 156.A N LEU 152.A O no hydrogen 2.969 N/A HIS 156.A ND1 TYR 289.A OH no hydrogen 2.708 N/A HIS 156.A NE2 ASP 253.A OD2 no hydrogen 2.814 N/A SER 157.A N THR 154.A O no hydrogen 3.038 N/A SER 157.A OG ALA 153.A O no hydrogen 2.734 N/A ILE 158.A N LEU 155.A O no hydrogen 3.382 N/A ASN 163.A N ASN 160.A O no hydrogen 3.187 N/A THR 164.A N ASN 160.A O no hydrogen 3.029 N/A THR 164.A OG1 ASN 160.A O no hydrogen 3.318 N/A PHE 165.A N ALA 161.A O no hydrogen 2.776 N/A SER 166.A N ASN 163.A O no hydrogen 3.062 N/A SER 166.A OG ASN 163.A O no hydrogen 3.238 N/A LEU 168.A N PHE 165.A O no hydrogen 3.086 N/A THR 169.A N SER 166.A O no hydrogen 3.053 N/A THR 169.A OG1 SER 166.A O no hydrogen 2.968 N/A THR 171.A N ASP 170.A OD1 no hydrogen 2.892 N/A HIS 174.A N THR 171.A OG1 no hydrogen 3.402 N/A ARG 175.A N THR 171.A O no hydrogen 3.158 N/A HIS 176.A N THR 172.A O no hydrogen 2.930 N/A PHE 177.A N LEU 173.A O no hydrogen 2.845 N/A ASN 178.A N HIS 174.A O no hydrogen 3.174 N/A TRP 179.A N ARG 175.A O no hydrogen 3.039 N/A VAL 180.A N HIS 176.A O no hydrogen 2.905 N/A ARG 181.A N PHE 177.A O no hydrogen 3.017 N/A ARG 181.A NH1 ASP 185.A OD1 no hydrogen 3.087 N/A SER 182.A N ASN 178.A O no hydrogen 2.989 N/A SER 182.A OG TRP 179.A O no hydrogen 2.698 N/A TRP 183.A N TRP 179.A O no hydrogen 2.876 N/A TRP 183.A NE1 VAL 68.A O no hydrogen 2.979 N/A TYR 184.A N VAL 180.A O no hydrogen 2.907 N/A TYR 184.A OH GLU 198.A OE2 no hydrogen 2.595 N/A ASP 185.A N ARG 181.A O no hydrogen 2.961 N/A PHE 186.A N SER 182.A O no hydrogen 2.897 N/A ALA 187.A N TRP 183.A O no hydrogen 2.817 N/A VAL 188.A N TYR 184.A O no hydrogen 2.826 N/A GLU 189.A N ASP 185.A O no hydrogen 3.404 N/A GLU 189.A N PHE 186.A O no hydrogen 3.261 N/A GLY 190.A N ALA 187.A O no hydrogen 2.930 N/A ILE 191.A N ALA 187.A O no hydrogen 3.201 N/A ILE 191.A N VAL 188.A O no hydrogen 3.087 N/A GLY 192.A N VAL 188.A O no hydrogen 2.801 N/A SER 194.A N TYR 184.A OH no hydrogen 2.870 N/A SER 194.A OG GLU 335.A OE2 no hydrogen 2.730 N/A LEU 196.A N GLU 335.A OE2 no hydrogen 2.821 N/A LEU 197.A N SER 194.A OG no hydrogen 3.074 N/A GLU 198.A N SER 194.A O no hydrogen 3.034 N/A ARG 199.A N PRO 195.A O no hydrogen 2.925 N/A THR 200.A N LEU 196.A O no hydrogen 2.952 N/A THR 200.A OG1 LEU 196.A O no hydrogen 2.715 N/A PHE 201.A N LEU 197.A O no hydrogen 2.867 N/A GLU 202.A N GLU 198.A O no hydrogen 3.331 N/A TRP 203.A N ARG 199.A O no hydrogen 2.893 N/A LEU 204.A N THR 200.A O no hydrogen 2.777 N/A GLN 205.A N PHE 201.A O no hydrogen 3.022 N/A SER 206.A N GLU 202.A O no hydrogen 3.059 N/A SER 206.A OG GLU 202.A O no hydrogen 3.015 N/A SER 206.A OG TRP 203.A O no hydrogen 3.274 N/A SER 206.A OG HIS 207.A ND1 no hydrogen 3.079 N/A HIS 207.A ND1 TRP 203.A O no hydrogen 2.755 N/A ASP 210.A N TRP 208.A O no hydrogen 2.920 N/A ALA 213.A N PRO 209.A O no hydrogen 2.973 N/A ALA 214.A N ASP 211.A O no hydrogen 3.168 N/A ARG 215.A NH2 GLU 251.A OE1 no hydrogen 2.753 N/A VAL 218.A N GLY 248.A O no hydrogen 2.805 N/A LEU 220.A N ALA 246.A O no hydrogen 2.663 N/A TRP 221.A N ASP 253.A OD2 no hydrogen 2.946 N/A TRP 221.A NE1 LEU 240.A O no hydrogen 3.004 N/A GLY 222.A N ASP 253.A OD1 no hydrogen 2.915 N/A ARG 225.A NE ASP 223.A OD1 no hydrogen 2.956 N/A ARG 225.A NE ASP 223.A OD2 no hydrogen 3.552 N/A ARG 225.A NH1 ASP 122.A OD1 no hydrogen 3.471 N/A ARG 225.A NH1 ASP 122.A OD2 no hydrogen 2.827 N/A ARG 225.A NH2 ASP 122.A OD1 no hydrogen 2.931 N/A ASN 228.A N ARG 225.A O no hydrogen 2.977 N/A ASN 228.A ND2 ASP 223.A O no hydrogen 2.856 N/A VAL 229.A N VAL 226.A O no hydrogen 3.153 N/A LEU 230.A N ALA 238.A O no hydrogen 2.793 N/A TYR 231.A N VAL 118.A O no hydrogen 2.743 N/A TYR 231.A OH THR 148.A OG1 no hydrogen 2.708 N/A ARG 232.A N GLN 235.A O no hydrogen 2.988 N/A ARG 232.A NH1 GLU 116.A O no hydrogen 2.874 N/A GLN 235.A N ARG 232.A O no hydrogen 3.076 N/A VAL 237.A N LEU 230.A O no hydrogen 2.792 N/A ALA 238.A N LEU 230.A O no hydrogen 3.414 N/A VAL 239.A N PRO 91.A O no hydrogen 2.801 N/A LEU 240.A N ASN 228.A O no hydrogen 2.747 N/A TRP 242.A NE1 VAL 239.A O no hydrogen 2.959 N/A GLU 243.A N ASP 241.A OD2 no hydrogen 3.454 N/A VAL 245.A N TRP 242.A O no hydrogen 3.041 N/A ALA 246.A N LEU 220.A O no hydrogen 2.823 N/A GLY 248.A N VAL 218.A O no hydrogen 3.033 N/A ARG 250.A NH1 TYR 289.A OH no hydrogen 3.024 N/A GLU 251.A N GLU 251.A OE2 no hydrogen 2.887 N/A LEU 252.A N PRO 249.A O no hydrogen 3.047 N/A VAL 254.A N ARG 250.A O no hydrogen 3.409 N/A ALA 255.A N GLU 251.A O no hydrogen 2.838 N/A TRP 256.A N LEU 252.A O no hydrogen 2.895 N/A TRP 256.A NE1 ASP 223.A OD1 no hydrogen 2.955 N/A MET 257.A N ASP 253.A O no hydrogen 3.045 N/A ILE 258.A N VAL 254.A O no hydrogen 3.189 N/A PHE 259.A N ALA 255.A O no hydrogen 2.858 N/A ALA 260.A N TRP 256.A O no hydrogen 2.807 N/A HIS 261.A ND1 TYR 126.A OH no hydrogen 2.660 N/A HIS 261.A NE2 LEU 276.A O no hydrogen 2.834 N/A ARG 262.A N ILE 258.A O no hydrogen 3.202 N/A VAL 263.A N PHE 259.A O no hydrogen 2.900 N/A PHE 264.A N ALA 260.A O no hydrogen 3.255 N/A GLN 265.A N HIS 261.A O no hydrogen 2.808 N/A GLU 266.A N ARG 262.A O no hydrogen 2.856 N/A LEU 267.A N VAL 263.A O no hydrogen 2.969 N/A ALA 268.A N PHE 264.A O no hydrogen 2.970 N/A GLY 269.A N GLN 265.A O no hydrogen 2.965 N/A LEU 270.A N GLU 266.A O no hydrogen 3.022 N/A ALA 271.A N LEU 267.A O no hydrogen 3.085 N/A ALA 271.A N ALA 268.A O no hydrogen 2.998 N/A THR 272.A N GLY 269.A O no hydrogen 2.998 N/A THR 272.A OG1 ALA 271.A O no hydrogen 2.907 N/A LEU 273.A N ALA 268.A O no hydrogen 2.744 N/A VAL 279.A N LEU 276.A O no hydrogen 3.238 N/A ARG 281.A NE ASP 283.A OD1 no hydrogen 2.985 N/A ARG 281.A NH1 ASP 283.A OD1 no hydrogen 3.552 N/A ARG 281.A NH1 ASP 283.A OD2 no hydrogen 2.714 N/A ASP 284.A N ASP 283.A OD1 no hydrogen 2.799 N/A VAL 285.A N ARG 281.A O no hydrogen 2.968 N/A ARG 286.A N GLU 282.A O no hydrogen 2.855 N/A ARG 286.A NH1 GLY 298.A O no hydrogen 2.980 N/A ARG 286.A NH2 LEU 297.A O no hydrogen 2.915 N/A ALA 287.A N ASP 283.A O no hydrogen 3.003 N/A THR 288.A N ASP 284.A O no hydrogen 3.021 N/A THR 288.A OG1 ASP 146.A OD1 no hydrogen 3.289 N/A THR 288.A OG1 ASP 284.A O no hydrogen 3.132 N/A TYR 289.A N VAL 285.A O no hydrogen 2.990 N/A TYR 289.A OH HIS 156.A ND1 no hydrogen 2.708 N/A GLN 290.A N ARG 286.A O no hydrogen 2.919 N/A ALA 291.A N ALA 287.A O no hydrogen 2.834 N/A LEU 292.A N THR 288.A O no hydrogen 2.972 N/A THR 293.A N TYR 289.A O no hydrogen 2.913 N/A THR 293.A OG1 TYR 289.A O no hydrogen 2.973 N/A THR 293.A OG1 VAL 295.A O no hydrogen 3.532 N/A GLY 294.A N GLN 290.A O no hydrogen 3.005 N/A VAL 295.A N THR 293.A OG1 no hydrogen 2.960 N/A GLY 298.A N GLU 251.A OE1 no hydrogen 2.689 N/A HIS 301.A N ASP 299.A OD2 no hydrogen 3.032 N/A TRP 302.A NE1 LEU 204.A O no hydrogen 2.965 N/A TYR 304.A N LEU 300.A O no hydrogen 2.902 N/A TYR 304.A OH GLU 282.A OE2 no hydrogen 2.462 N/A VAL 305.A N HIS 301.A O no hydrogen 3.136 N/A TYR 306.A N TRP 302.A O no hydrogen 2.874 N/A SER 307.A N PHE 303.A O no hydrogen 2.785 N/A SER 307.A OG PHE 303.A O no hydrogen 2.823 N/A GLY 308.A N TYR 304.A O no hydrogen 2.952 N/A VAL 309.A N VAL 305.A O no hydrogen 2.984 N/A MET 310.A N TYR 306.A O no hydrogen 3.086 N/A TRP 311.A N SER 307.A O no hydrogen 2.809 N/A ALA 312.A N GLY 308.A O no hydrogen 2.946 N/A CYS 313.A N VAL 309.A O no hydrogen 2.974 N/A CYS 313.A SG VAL 309.A O no hydrogen 3.549 N/A VAL 314.A N MET 310.A O no hydrogen 3.044 N/A PHE 315.A N TRP 311.A O no hydrogen 2.916 N/A MET 316.A N ALA 312.A O no hydrogen 2.850 N/A ARG 317.A N CYS 313.A O no hydrogen 3.037 N/A ARG 317.A NE PRO 67.A O no hydrogen 2.907 N/A ARG 317.A NH2 PRO 67.A O no hydrogen 2.784 N/A THR 318.A N VAL 314.A O no hydrogen 2.810 N/A THR 318.A OG1 VAL 314.A O no hydrogen 3.328 N/A GLY 319.A N PHE 315.A O no hydrogen 2.821 N/A ALA 320.A N MET 316.A O no hydrogen 2.991 N/A ARG 321.A N ARG 317.A O no hydrogen 2.922 N/A ARG 322.A N THR 318.A O no hydrogen 2.849 N/A VAL 323.A N GLY 319.A O no hydrogen 3.051 N/A HIS 324.A N ALA 320.A O no hydrogen 2.827 N/A PHE 325.A N ARG 321.A O no hydrogen 2.955 N/A GLY 326.A N VAL 323.A O no hydrogen 2.621 N/A ILE 328.A N ARG 322.A O no hydrogen 3.386 N/A GLU 335.A N ASP 333.A OD1 no hydrogen 3.199 N/A SER 336.A N ASP 333.A O no hydrogen 2.954 N/A SER 336.A OG ASP 333.A O no hydrogen 2.602 N/A LEU 337.A N VAL 334.A O no hydrogen 2.813 N/A PHE 338.A N GLU 335.A O no hydrogen 2.906 N/A HIS 340.A N HIS 340.A ND1 no hydrogen 2.921 N/A HIS 340.A NE2 GLY 308.A O no hydrogen 2.771 N/A ALA 341.A N PHE 338.A O no hydrogen 2.955 N/A MET 344.A N HIS 340.A O no hydrogen 3.055 N/A LYS 345.A N ALA 341.A O no hydrogen 2.911 N/A HIS 346.A N GLY 342.A O no hydrogen 2.933 N/A HIS 346.A ND1 GLY 342.A O no hydrogen 3.116 N/A LEU 347.A N LEU 343.A O no hydrogen 2.987 N/A LEU 348.A N MET 344.A O no hydrogen 2.905 N/A GLY 349.A N LYS 345.A O no hydrogen 3.079 N/A GLY 349.A N HIS 346.A O no hydrogen 3.107 N/A GLU 350.A N LEU 347.A O no hydrogen 3.059 N/A HIS 352.A ND1 ASP 299.A OD1 no hydrogen 2.643 N/A HIS 352.A NE2 GLU 350.A OE1 no hydrogen 2.688 N/A