Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sff_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 97.A O no hydrogen 2.901 N/A TYR 5.A N ARG 42.A O no hydrogen 2.869 N/A TYR 5.A OH HIS 29.A ND1 no hydrogen 2.865 N/A ILE 6.A N ILE 99.A O no hydrogen 2.842 N/A TYR 7.A N VAL 44.A O no hydrogen 3.066 N/A TYR 11.A N SER 8.A OG no hydrogen 3.074 N/A TYR 11.A OH ASN 100.A OD1 no hydrogen 2.631 N/A VAL 12.A N SER 8.A O no hydrogen 3.170 N/A SER 13.A N PRO 9.A O no hydrogen 2.970 N/A SER 13.A OG PRO 9.A O no hydrogen 2.811 N/A MET 14.A N GLU 10.A O no hydrogen 3.076 N/A CYS 15.A N TYR 11.A O no hydrogen 3.075 N/A CYS 15.A SG TYR 11.A O no hydrogen 3.370 N/A CYS 15.A SG SER 102.A OG no hydrogen 3.636 N/A ASP 16.A N VAL 12.A O no hydrogen 2.909 N/A SER 17.A N MET 14.A O no hydrogen 3.128 N/A SER 17.A OG SER 13.A O no hydrogen 3.372 N/A LEU 18.A N CYS 15.A O no hydrogen 3.190 N/A LYS 23.A N ASP 16.A O no hydrogen 3.084 N/A ARG 24.A N ILE 21.A O no hydrogen 3.253 N/A ARG 24.A NH1 GLY 267.A O no hydrogen 3.030 N/A ARG 24.A NH1 GLY 269.A O no hydrogen 2.969 N/A ARG 24.A NH2 GLY 267.A O no hydrogen 2.923 N/A SER 26.A N ASP 16.A OD1 no hydrogen 2.956 N/A SER 26.A OG ASP 16.A OD1 no hydrogen 3.214 N/A SER 26.A OG ASP 16.A OD2 no hydrogen 2.499 N/A MET 27.A N LYS 23.A O no hydrogen 3.054 N/A VAL 28.A N ARG 24.A O no hydrogen 3.035 N/A HIS 29.A N ALA 25.A O no hydrogen 3.030 N/A HIS 29.A ND1 TYR 5.A OH no hydrogen 2.865 N/A SER 30.A N SER 26.A O no hydrogen 2.876 N/A SER 30.A OG SER 26.A O no hydrogen 2.708 N/A SER 30.A OG MET 27.A O no hydrogen 3.476 N/A LEU 31.A N MET 27.A O no hydrogen 3.157 N/A ILE 32.A N VAL 28.A O no hydrogen 3.161 N/A GLU 33.A N HIS 29.A O no hydrogen 2.872 N/A ALA 34.A N SER 30.A O no hydrogen 2.878 N/A TYR 35.A N LEU 31.A O no hydrogen 3.139 N/A TYR 35.A OH SER 292.A O no hydrogen 2.804 N/A ALA 36.A N GLU 33.A O no hydrogen 2.987 N/A LEU 37.A N ILE 32.A O no hydrogen 3.069 N/A GLN 40.A N LEU 37.A O no hydrogen 3.056 N/A MET 41.A N HIS 38.A O no hydrogen 3.257 N/A ARG 42.A N PRO 3.A O no hydrogen 2.789 N/A VAL 44.A N TYR 5.A O no hydrogen 2.959 N/A LYS 47.A N THR 85.A OG1 no hydrogen 3.238 N/A ALA 49.A N ALA 77.A O no hydrogen 2.835 N/A SER 50.A N GLU 53.A OE1 no hydrogen 3.066 N/A GLU 53.A N SER 50.A OG no hydrogen 3.180 N/A MET 54.A N SER 50.A O no hydrogen 3.087 N/A ALA 55.A N MET 51.A O no hydrogen 2.952 N/A THR 56.A N GLU 53.A O no hydrogen 3.208 N/A THR 56.A OG1 GLU 53.A O no hydrogen 2.582 N/A PHE 57.A N MET 54.A O no hydrogen 3.291 N/A HIS 58.A N MET 54.A O no hydrogen 2.954 N/A HIS 58.A ND1 LYS 110.A O no hydrogen 3.113 N/A THR 59.A N LYS 110.A O no hydrogen 3.079 N/A TYR 62.A N THR 59.A OG1 no hydrogen 2.960 N/A TYR 62.A OH TYR 118.A O no hydrogen 2.546 N/A LEU 63.A N THR 59.A O no hydrogen 3.019 N/A GLN 64.A N ASP 60.A O no hydrogen 2.817 N/A HIS 65.A N ALA 61.A O no hydrogen 2.781 N/A LEU 66.A N TYR 62.A O no hydrogen 2.815 N/A GLN 67.A N LEU 63.A O no hydrogen 3.131 N/A LYS 68.A N GLN 64.A O no hydrogen 3.240 N/A VAL 69.A N HIS 65.A O no hydrogen 3.039 N/A SER 70.A N LEU 66.A O no hydrogen 3.182 N/A SER 70.A N GLN 67.A O no hydrogen 3.348 N/A SER 70.A OG LEU 66.A O no hydrogen 2.723 N/A PHE 73.A N SER 70.A OG no hydrogen 2.715 N/A ASP 74.A N GLY 71.A O no hydrogen 3.240 N/A TYR 75.A N GLY 71.A O no hydrogen 3.476 N/A ALA 76.A N ILE 72.A O no hydrogen 2.955 N/A ALA 77.A N PHE 73.A O no hydrogen 2.987 N/A ALA 78.A N ASP 74.A O no hydrogen 2.997 N/A ILE 79.A N TYR 75.A O no hydrogen 2.977 N/A GLY 80.A N ALA 76.A O no hydrogen 2.904 N/A GLY 81.A N ALA 77.A O no hydrogen 3.018 N/A ALA 82.A N ALA 78.A O no hydrogen 3.014 N/A THR 83.A N ILE 79.A O no hydrogen 3.114 N/A THR 83.A OG1 ILE 79.A O no hydrogen 3.531 N/A THR 83.A OG1 ASP 121.A OD2 no hydrogen 2.732 N/A ILE 84.A N GLY 80.A O no hydrogen 2.910 N/A THR 85.A N GLY 81.A O no hydrogen 2.938 N/A THR 85.A OG1 GLY 81.A O no hydrogen 2.633 N/A ALA 86.A N ALA 82.A O no hydrogen 3.223 N/A ALA 87.A N THR 83.A O no hydrogen 3.055 N/A GLN 88.A N ILE 84.A O no hydrogen 2.867 N/A GLN 88.A NE2 ASP 92.A OD1 no hydrogen 3.118 N/A GLN 88.A NE2 ASP 92.A OD2 no hydrogen 3.182 N/A CYS 89.A N THR 85.A O no hydrogen 2.982 N/A CYS 89.A SG THR 85.A O no hydrogen 3.266 N/A LEU 90.A N ALA 86.A O no hydrogen 3.138 N/A ILE 91.A N ALA 87.A O no hydrogen 2.915 N/A ASP 92.A N GLN 88.A O no hydrogen 2.951 N/A GLY 93.A N LEU 90.A O no hydrogen 3.381 N/A MET 94.A N CYS 89.A O no hydrogen 3.099 N/A CYS 95.A SG VAL 97.A O no hydrogen 3.550 N/A ALA 98.A N THR 262.A O no hydrogen 3.086 N/A ILE 99.A N VAL 4.A O no hydrogen 2.848 N/A ASN 100.A N ILE 264.A O no hydrogen 2.930 N/A ASN 100.A ND2 THR 83.A OG1 no hydrogen 2.731 N/A TRP 101.A NE1 THR 283.A OG1 no hydrogen 2.949 N/A GLY 103.A N ASN 100.A O no hydrogen 3.140 N/A GLY 104.A N ASP 121.A OD2 no hydrogen 2.947 N/A TRP 105.A N ASP 121.A OD1 no hydrogen 2.887 N/A TRP 105.A NE1 SER 102.A O no hydrogen 2.963 N/A HIS 106.A N GLY 104.A O no hydrogen 2.910 N/A HIS 106.A ND1 ASP 140.A OD2 no hydrogen 2.763 N/A HIS 107.A ND1 ASP 147.A OD1 no hydrogen 2.835 N/A LYS 109.A N GLU 112.A O no hydrogen 2.981 N/A LYS 109.A NZ HIS 107.A O no hydrogen 3.037 N/A LYS 109.A NZ ASP 147.A OD2 no hydrogen 2.984 N/A LYS 110.A NZ PHE 57.A O no hydrogen 2.869 N/A GLU 112.A N LYS 109.A O no hydrogen 3.488 N/A SER 114.A N CYS 117.A O no hydrogen 3.062 N/A SER 114.A OG HIS 107.A O no hydrogen 2.963 N/A CYS 117.A N SER 114.A O no hydrogen 2.813 N/A CYS 117.A SG GLY 115.A O no hydrogen 3.524 N/A ASN 120.A N HIS 58.A NE2 no hydrogen 2.999 N/A ASN 120.A ND2 HIS 106.A O no hydrogen 3.209 N/A ASN 120.A ND2 ALA 108.A O no hydrogen 2.922 N/A VAL 123.A N ASN 120.A OD1 no hydrogen 3.074 N/A LEU 124.A N ASN 120.A O no hydrogen 3.260 N/A GLY 125.A N ASP 121.A O no hydrogen 2.882 N/A ILE 126.A N ALA 122.A O no hydrogen 2.934 N/A LEU 127.A N VAL 123.A O no hydrogen 2.942 N/A ARG 128.A N LEU 124.A O no hydrogen 3.256 N/A ARG 128.A NH1 GLN 88.A OE1 no hydrogen 2.733 N/A ARG 128.A NH2 GLU 53.A OE2 no hydrogen 2.789 N/A LEU 129.A N GLY 125.A O no hydrogen 3.073 N/A ARG 130.A N ILE 126.A O no hydrogen 3.041 N/A ARG 130.A NH1 GLU 134.A O no hydrogen 2.788 N/A ARG 131.A N ARG 128.A O no hydrogen 3.197 N/A LYS 132.A N LEU 129.A O no hydrogen 3.076 N/A PHE 133.A N LEU 129.A O no hydrogen 2.841 N/A ILE 136.A N LYS 158.A O no hydrogen 3.115 N/A LEU 137.A N ALA 223.A O no hydrogen 3.073 N/A TYR 138.A N MET 160.A O no hydrogen 2.782 N/A TYR 138.A OH ASP 140.A OD2 no hydrogen 2.533 N/A VAL 139.A N VAL 225.A O no hydrogen 2.812 N/A ASP 140.A N VAL 162.A O no hydrogen 2.785 N/A LEU 141.A N GLN 227.A O no hydrogen 2.801 N/A ASP 142.A N ASP 140.A OD1 no hydrogen 3.166 N/A LEU 143.A N ASP 231.A OD1 no hydrogen 2.994 N/A HIS 144.A N ASP 142.A OD1 no hydrogen 2.861 N/A HIS 144.A ND1 ASP 142.A OD1 no hydrogen 3.234 N/A HIS 145.A ND1 THR 175.A OG1 no hydrogen 2.773 N/A HIS 145.A NE2 GLU 150.A OE1 no hydrogen 2.850 N/A GLU 150.A N GLY 146.A O no hydrogen 3.191 N/A ASP 151.A N ASP 147.A O no hydrogen 2.837 N/A ALA 152.A N GLY 148.A O no hydrogen 2.973 N/A PHE 153.A N VAL 149.A O no hydrogen 3.272 N/A SER 154.A N ASP 151.A O no hydrogen 3.374 N/A SER 154.A OG ASP 151.A O no hydrogen 3.024 N/A THR 156.A N PHE 153.A O no hydrogen 3.193 N/A LYS 158.A N THR 156.A OG1 no hydrogen 2.968 N/A MET 160.A N ILE 136.A O no hydrogen 2.953 N/A THR 161.A N TYR 189.A O no hydrogen 3.256 N/A VAL 162.A N TYR 138.A O no hydrogen 2.767 N/A SER 163.A N VAL 191.A O no hydrogen 2.973 N/A SER 163.A OG HIS 165.A ND1 no hydrogen 2.769 N/A LEU 164.A N ASP 140.A O no hydrogen 3.156 N/A HIS 165.A N VAL 193.A O no hydrogen 3.331 N/A HIS 165.A ND1 SER 163.A OG no hydrogen 2.769 N/A HIS 165.A NE2 GLY 176.A O no hydrogen 2.744 N/A LYS 166.A N LEU 143.A O no hydrogen 2.932 N/A LYS 166.A NZ ASP 197.A OD1 no hydrogen 2.767 N/A LYS 166.A NZ ASP 197.A OD2 no hydrogen 3.231 N/A PHE 167.A N ILE 195.A O no hydrogen 3.122 N/A PHE 171.A N SER 168.A O no hydrogen 3.054 N/A THR 175.A OG1 HIS 145.A ND1 no hydrogen 2.773 N/A GLY 176.A N ASP 180.A OD2 no hydrogen 3.104 N/A ASP 177.A N ASP 180.A OD2 no hydrogen 2.786 N/A VAL 178.A N ASP 177.A OD1 no hydrogen 2.851 N/A ASP 180.A N ASP 177.A O no hydrogen 2.887 N/A LEU 183.A N SER 154.A O no hydrogen 3.048 N/A GLY 186.A N LEU 183.A O no hydrogen 2.946 N/A ARG 187.A N GLY 184.A O no hydrogen 3.032 N/A TYR 188.A N VAL 181.A O no hydrogen 2.674 N/A TYR 189.A N GLY 186.A O no hydrogen 2.959 N/A TYR 189.A OH VAL 341.A O no hydrogen 3.187 N/A VAL 191.A N THR 161.A O no hydrogen 2.814 N/A ASN 192.A ND2 GLU 150.A OE1 no hydrogen 2.761 N/A ASN 192.A ND2 ASP 180.A O no hydrogen 2.989 N/A VAL 193.A N SER 163.A O no hydrogen 2.800 N/A ILE 195.A N HIS 165.A O no hydrogen 2.855 N/A GLN 196.A N ASN 321.A OD1 no hydrogen 2.789 N/A GLN 196.A NE2 PHE 167.A O no hydrogen 2.986 N/A GLY 198.A N SER 240.A O no hydrogen 2.741 N/A LYS 203.A NZ ASP 319.A OD2 no hydrogen 2.777 N/A LYS 203.A NZ ASN 321.A O no hydrogen 2.813 N/A TYR 204.A N GLN 200.A O no hydrogen 3.111 N/A TYR 205.A N ASP 201.A O no hydrogen 2.887 N/A GLN 206.A N GLU 202.A O no hydrogen 2.975 N/A ILE 207.A N LYS 203.A O no hydrogen 2.963 N/A CYS 208.A N TYR 204.A O no hydrogen 2.944 N/A GLU 209.A N TYR 205.A O no hydrogen 2.747 N/A SER 210.A N GLN 206.A O no hydrogen 3.099 N/A VAL 211.A N ILE 207.A O no hydrogen 3.032 N/A LEU 212.A N CYS 208.A O no hydrogen 3.009 N/A LYS 213.A N GLU 209.A O no hydrogen 2.962 N/A VAL 215.A N VAL 211.A O no hydrogen 2.837 N/A TYR 216.A N LEU 212.A O no hydrogen 2.817 N/A GLN 217.A N LYS 213.A O no hydrogen 3.416 N/A GLN 217.A NE2 LYS 213.A O no hydrogen 3.535 N/A ALA 218.A N GLU 214.A O no hydrogen 3.225 N/A PHE 219.A N VAL 215.A O no hydrogen 2.983 N/A ASN 220.A N TYR 216.A O no hydrogen 2.835 N/A ASN 220.A ND2 GLN 217.A O no hydrogen 3.469 N/A LYS 222.A N ARG 135.A O no hydrogen 2.976 N/A VAL 224.A N ALA 261.A O no hydrogen 2.796 N/A VAL 225.A N LEU 137.A O no hydrogen 2.952 N/A LEU 226.A N LEU 263.A O no hydrogen 2.826 N/A GLN 227.A N VAL 139.A O no hydrogen 2.897 N/A GLN 227.A NE2 GLY 104.A O no hydrogen 2.929 N/A GLN 227.A NE2 ASP 142.A OD2 no hydrogen 3.256 N/A LEU 228.A N LEU 265.A O no hydrogen 2.974 N/A GLY 229.A N GLN 227.A OE1 no hydrogen 2.845 N/A ALA 230.A N GLY 268.A O no hydrogen 2.825 N/A ILE 233.A N ALA 230.A O no hydrogen 3.183 N/A ALA 234.A N MET 243.A O no hydrogen 2.876 N/A ASP 236.A N ILE 233.A O no hydrogen 3.111 N/A MET 238.A N ASP 236.A OD1 no hydrogen 3.111 N/A CYS 239.A N ASP 236.A O no hydrogen 2.752 N/A SER 240.A OG MET 238.A O no hydrogen 2.925 N/A ASN 242.A N ILE 199.A O no hydrogen 2.797 N/A ASN 242.A ND2 GLN 200.A OE1 no hydrogen 3.652 N/A ASN 242.A ND2 SER 315.A O no hydrogen 2.929 N/A MET 243.A N THR 232.A O no hydrogen 3.302 N/A THR 244.A N ASP 201.A OD1 no hydrogen 2.900 N/A THR 244.A OG1 ASP 201.A OD2 no hydrogen 2.607 N/A VAL 246.A N THR 244.A OG1 no hydrogen 3.255 N/A GLY 247.A N THR 244.A O no hydrogen 3.126 N/A GLY 249.A N PRO 245.A O no hydrogen 2.771 N/A LYS 250.A N VAL 246.A O no hydrogen 3.156 N/A CYS 251.A N GLY 247.A O no hydrogen 3.448 N/A CYS 251.A SG GLY 247.A O no hydrogen 3.565 N/A LEU 252.A N ILE 248.A O no hydrogen 2.944 N/A LYS 253.A N GLY 249.A O no hydrogen 2.785 N/A TYR 254.A N LYS 250.A O no hydrogen 2.985 N/A ILE 255.A N CYS 251.A O no hydrogen 3.185 N/A LEU 256.A N LEU 252.A O no hydrogen 2.917 N/A GLN 257.A N LYS 253.A O no hydrogen 3.261 N/A GLN 257.A N TYR 254.A O no hydrogen 3.189 N/A GLN 257.A NE2 LYS 253.A O no hydrogen 3.007 N/A TRP 258.A N ILE 255.A O no hydrogen 3.030 N/A GLN 259.A N LEU 256.A O no hydrogen 3.072 N/A GLN 259.A NE2 GLN 257.A O no hydrogen 3.510 N/A THR 262.A N LYS 96.A O no hydrogen 2.796 N/A THR 262.A OG1 LEU 260.A O no hydrogen 2.979 N/A LEU 263.A N VAL 224.A O no hydrogen 2.793 N/A ILE 264.A N ALA 98.A O no hydrogen 2.830 N/A LEU 265.A N LEU 226.A O no hydrogen 2.864 N/A GLY 268.A N ASP 142.A OD2 no hydrogen 2.902 N/A TYR 270.A N ASP 236.A OD2 no hydrogen 2.946 N/A ASN 271.A N ASP 236.A OD2 no hydrogen 3.445 N/A ASN 271.A ND2 GLY 235.A O no hydrogen 3.147 N/A ASN 274.A N ASN 271.A OD1 no hydrogen 3.017 N/A ASN 274.A ND2 ALA 234.A O no hydrogen 3.198 N/A THR 275.A N ASN 271.A O no hydrogen 2.957 N/A THR 275.A OG1 ASN 271.A O no hydrogen 3.018 N/A ALA 276.A N LEU 272.A O no hydrogen 3.086 N/A ARG 277.A N ALA 273.A O no hydrogen 2.909 N/A ARG 277.A NE VAL 309.A O no hydrogen 2.768 N/A CYS 278.A N ASN 274.A O no hydrogen 2.845 N/A TRP 279.A N THR 275.A O no hydrogen 2.987 N/A TRP 279.A NE1 LEU 228.A O no hydrogen 2.962 N/A THR 280.A N ALA 276.A O no hydrogen 2.947 N/A THR 280.A OG1 ALA 276.A O no hydrogen 2.676 N/A TYR 281.A N ARG 277.A O no hydrogen 3.014 N/A LEU 282.A N CYS 278.A O no hydrogen 2.861 N/A THR 283.A N TRP 279.A O no hydrogen 2.857 N/A THR 283.A OG1 TRP 279.A O no hydrogen 2.646 N/A GLY 284.A N THR 280.A O no hydrogen 3.079 N/A VAL 285.A N TYR 281.A O no hydrogen 2.969 N/A ILE 286.A N LEU 282.A O no hydrogen 3.051 N/A LEU 287.A N THR 283.A O no hydrogen 2.970 N/A GLY 288.A N VAL 285.A O no hydrogen 3.045 N/A LYS 289.A N GLY 284.A O no hydrogen 2.777 N/A SER 293.A OG GLU 311.A OE1 no hydrogen 3.296 N/A SER 293.A OG GLU 311.A OE2 no hydrogen 2.667 N/A GLU 294.A N GLU 294.A OE2 no hydrogen 2.801 N/A ILE 295.A N TYR 308.A O no hydrogen 2.881 N/A HIS 298.A ND1 PRO 296.A O no hydrogen 2.838 N/A PHE 301.A N HIS 298.A O no hydrogen 3.236 N/A ALA 303.A N PHE 300.A O no hydrogen 3.003 N/A TYR 304.A N PHE 301.A O no hydrogen 3.160 N/A GLY 305.A N THR 302.A O no hydrogen 3.353 N/A TYR 308.A N TYR 304.A O no hydrogen 2.966 N/A LEU 310.A N SER 293.A O no hydrogen 2.887 N/A GLU 311.A N GLU 311.A OE1 no hydrogen 2.770 N/A SER 315.A N ASN 242.A OD1 no hydrogen 2.777 N/A SER 315.A OG ASN 242.A OD1 no hydrogen 3.258 N/A ARG 317.A NH2 CYS 239.A O no hydrogen 2.931 N/A ARG 320.A N ASP 197.A O no hydrogen 2.892 N/A ASN 321.A N ASP 319.A OD1 no hydrogen 3.240 N/A ASN 321.A ND2 GLN 196.A O no hydrogen 2.873 N/A ASN 321.A ND2 ASP 319.A OD1 no hydrogen 3.036 N/A ARG 325.A NH1 GLN 328.A OE1 no hydrogen 3.258 N/A ILE 326.A N GLU 322.A O no hydrogen 3.213 N/A GLN 327.A N PRO 323.A O no hydrogen 3.294 N/A GLN 327.A NE2 ASN 331.A OD1 no hydrogen 3.457 N/A GLN 328.A N HIS 324.A O no hydrogen 2.983 N/A ILE 329.A N ARG 325.A O no hydrogen 2.886 N/A LEU 330.A N ILE 326.A O no hydrogen 2.881 N/A ASN 331.A N GLN 327.A O no hydrogen 2.894 N/A TYR 332.A N GLN 328.A O no hydrogen 3.068 N/A ILE 333.A N ILE 329.A O no hydrogen 3.107 N/A LYS 334.A N LEU 330.A O no hydrogen 2.940 N/A GLY 335.A N ASN 331.A O no hydrogen 3.049 N/A ASN 336.A N TYR 332.A O no hydrogen 3.018 N/A ASN 336.A ND2 VAL 178.A O no hydrogen 3.628 N/A LEU 337.A N ILE 333.A O no hydrogen 2.876 N/A LYS 338.A N GLY 335.A O no hydrogen 3.270 N/A HIS 339.A N ASN 336.A O no hydrogen 3.094 N/A VAL 340.A N LEU 337.A O no hydrogen 3.181 N/A VAL 341.A N TYR 189.A OH no hydrogen 3.300 N/A