Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t0f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N GLY 291.A O no hydrogen 3.360 N/A GLN 7.A N LYS 265.A O no hydrogen 2.803 N/A LEU 9.A N VAL 267.A O no hydrogen 2.939 N/A LEU 10.A N ILE 296.A O no hydrogen 2.966 N/A ALA 11.A N VAL 269.A O no hydrogen 3.141 N/A ASN 12.A ND2 LEU 298.A O no hydrogen 2.942 N/A ARG 14.A NH1 ALA 11.A O no hydrogen 3.065 N/A GLY 15.A N ALA 271.A O no hydrogen 2.866 N/A CYS 17.A SG ALA 273.A O no hydrogen 3.967 N/A ALA 18.A N TYR 203.A OH no hydrogen 2.897 N/A ASP 21.A N CYS 17.A O no hydrogen 3.013 N/A ARG 22.A N ALA 18.A O no hydrogen 2.975 N/A ARG 22.A NE GLU 308.A O no hydrogen 3.005 N/A ARG 22.A NH2 THR 100.A O no hydrogen 2.958 N/A ALA 23.A N GLY 19.A O no hydrogen 2.892 N/A ILE 24.A N VAL 20.A O no hydrogen 3.002 N/A SER 25.A N ASP 21.A O no hydrogen 3.064 N/A SER 25.A OG ASP 21.A O no hydrogen 2.789 N/A ILE 26.A N ARG 22.A O no hydrogen 2.855 N/A VAL 27.A N ALA 23.A O no hydrogen 3.269 N/A GLU 28.A N ILE 24.A O no hydrogen 2.885 N/A ASN 29.A N SER 25.A O no hydrogen 2.742 N/A ASN 29.A ND2 LEU 313.A O no hydrogen 2.586 N/A ALA 30.A N ILE 26.A O no hydrogen 3.028 N/A LEU 31.A N VAL 27.A O no hydrogen 3.088 N/A ALA 32.A N GLU 28.A O no hydrogen 2.929 N/A ILE 33.A N ASN 29.A O no hydrogen 2.905 N/A TYR 34.A N ALA 30.A O no hydrogen 2.827 N/A GLY 35.A N LEU 31.A O no hydrogen 2.932 N/A TYR 39.A N ILE 73.A O no hydrogen 2.812 N/A VAL 40.A N ILE 60.A O no hydrogen 2.787 N/A ARG 41.A N ILE 75.A O no hydrogen 3.003 N/A HIS 42.A N ILE 62.A O no hydrogen 2.674 N/A HIS 42.A NE2 GLU 63.A O no hydrogen 3.012 N/A ASN 47.A N VAL 45.A O no hydrogen 2.781 N/A ARG 48.A N SER 227.A OG no hydrogen 3.095 N/A ARG 48.A NH1 ASP 252.A OD2 no hydrogen 2.934 N/A VAL 51.A N ASN 47.A O no hydrogen 2.825 N/A ASP 52.A N ARG 48.A O no hydrogen 2.884 N/A SER 53.A N TYR 49.A O no hydrogen 2.855 N/A SER 53.A OG TYR 49.A O no hydrogen 2.763 N/A LEU 54.A N VAL 50.A O no hydrogen 2.992 N/A ARG 55.A N VAL 51.A O no hydrogen 2.923 N/A GLU 56.A N ASP 52.A O no hydrogen 3.008 N/A ARG 57.A N SER 53.A O no hydrogen 3.237 N/A GLY 58.A N ARG 55.A O no hydrogen 2.762 N/A ALA 59.A N LEU 54.A O no hydrogen 2.844 N/A ILE 60.A N ILE 38.A O no hydrogen 2.745 N/A ILE 62.A N VAL 40.A O no hydrogen 2.744 N/A GLU 63.A N GLU 67.A OE2 no hydrogen 2.835 N/A GLN 64.A N GLU 67.A OE2 no hydrogen 2.993 N/A GLU 67.A N GLN 64.A O no hydrogen 2.772 N/A VAL 68.A N ILE 65.A O no hydrogen 2.943 N/A GLY 71.A N ASP 93.A O no hydrogen 2.875 N/A LEU 74.A N THR 95.A O no hydrogen 2.827 N/A ILE 75.A N TYR 39.A O no hydrogen 2.871 N/A PHE 76.A N PHE 97.A O no hydrogen 2.960 N/A SER 77.A OG HIS 79.A ND1 no hydrogen 3.271 N/A ALA 78.A N VAL 44.A O no hydrogen 2.930 N/A HIS 79.A N SER 77.A OG no hydrogen 3.089 N/A HIS 79.A ND1 SER 77.A OG no hydrogen 3.271 N/A GLY 80.A N SER 77.A O no hydrogen 3.145 N/A GLN 83.A N GLY 137.A O no hydrogen 2.939 N/A VAL 85.A N SER 82.A OG no hydrogen 3.349 N/A ARG 86.A N SER 82.A O no hydrogen 3.259 N/A ARG 86.A NH1 ASP 98.A OD1 no hydrogen 3.396 N/A ARG 86.A NH2 ASP 98.A OD1 no hydrogen 2.950 N/A ASN 87.A N GLN 83.A O no hydrogen 2.850 N/A GLU 88.A N ALA 84.A O no hydrogen 2.910 N/A ALA 89.A N VAL 85.A O no hydrogen 3.041 N/A LYS 90.A N ARG 86.A O no hydrogen 2.755 N/A SER 91.A N ASN 87.A O no hydrogen 2.657 N/A SER 91.A OG ASN 87.A O no hydrogen 3.546 N/A SER 91.A OG GLU 88.A O no hydrogen 2.570 N/A ARG 92.A N ALA 89.A O no hydrogen 3.203 N/A ARG 92.A NH1 VAL 68.A O no hydrogen 2.736 N/A ARG 92.A NH2 VAL 68.A O no hydrogen 2.537 N/A THR 95.A N ALA 72.A O no hydrogen 2.878 N/A PHE 97.A N LEU 74.A O no hydrogen 2.946 N/A ALA 99.A N PHE 76.A O no hydrogen 2.971 N/A THR 100.A N ASP 98.A OD2 no hydrogen 2.801 N/A THR 100.A OG1 ASP 98.A OD2 no hydrogen 2.659 N/A CYS 101.A N ALA 78.A O no hydrogen 3.116 N/A VAL 104.A N CYS 101.A O no hydrogen 3.052 N/A THR 105.A N CYS 101.A O no hydrogen 3.035 N/A THR 105.A OG1 CYS 101.A O no hydrogen 3.466 N/A LYS 106.A N PRO 102.A O no hydrogen 3.056 N/A HIS 108.A N VAL 104.A O no hydrogen 2.796 N/A MET 109.A N THR 105.A O no hydrogen 2.824 N/A GLU 110.A N LYS 106.A O no hydrogen 3.372 N/A VAL 111.A N VAL 107.A O no hydrogen 3.219 N/A ALA 112.A N HIS 108.A O no hydrogen 3.019 N/A ARG 113.A N MET 109.A O no hydrogen 2.934 N/A ALA 114.A N GLU 110.A O no hydrogen 3.137 N/A SER 115.A N VAL 111.A O no hydrogen 3.037 N/A SER 115.A OG VAL 111.A O no hydrogen 3.232 N/A ARG 116.A N ALA 112.A O no hydrogen 3.099 N/A ARG 117.A N ALA 114.A O no hydrogen 3.099 N/A ARG 117.A NH2 ARG 113.A O no hydrogen 3.349 N/A GLY 118.A N SER 115.A O no hydrogen 3.128 N/A GLU 119.A N ALA 114.A O no hydrogen 3.242 N/A GLU 120.A N LYS 165.A O no hydrogen 3.316 N/A SER 121.A N GLY 145.A O no hydrogen 2.809 N/A SER 121.A OG SER 167.A OG no hydrogen 3.158 N/A ILE 122.A N SER 167.A O no hydrogen 2.885 N/A LEU 123.A N TYR 147.A O no hydrogen 2.765 N/A ILE 124.A N MET 169.A O no hydrogen 2.964 N/A GLY 125.A N VAL 149.A O no hydrogen 3.174 N/A HIS 126.A N GLN 171.A OE1 no hydrogen 2.824 N/A ALA 127.A N GLU 150.A OE2 no hydrogen 2.838 N/A VAL 132.A N HIS 129.A O no hydrogen 2.867 N/A GLY 134.A N PRO 130.A O no hydrogen 3.470 N/A THR 135.A N ASP 131.A O no hydrogen 3.173 N/A THR 135.A OG1 ASP 131.A O no hydrogen 3.239 N/A THR 135.A OG1 ASP 131.A OD1 no hydrogen 3.482 N/A MET 136.A N VAL 132.A O no hydrogen 2.712 N/A GLY 137.A N GLU 133.A O no hydrogen 2.825 N/A GLN 138.A N THR 135.A O no hydrogen 3.222 N/A GLN 138.A NE2 GLN 83.A OE1 no hydrogen 2.812 N/A TYR 139.A N MET 136.A O no hydrogen 3.140 N/A TYR 139.A OH GLU 119.A O no hydrogen 2.550 N/A GLY 144.A N ASN 141.A O no hydrogen 3.117 N/A GLY 145.A N TYR 139.A OH no hydrogen 2.858 N/A TYR 147.A N SER 121.A O no hydrogen 2.888 N/A TYR 147.A OH GLU 120.A OE1 no hydrogen 2.638 N/A VAL 149.A N LEU 123.A O no hydrogen 2.741 N/A GLU 150.A N ASP 154.A OD2 no hydrogen 2.630 N/A ASP 154.A N SER 151.A OG no hydrogen 2.975 N/A VAL 155.A N SER 151.A O no hydrogen 3.274 N/A TRP 156.A N PRO 152.A O no hydrogen 3.098 N/A LYS 157.A N ASP 153.A O no hydrogen 3.126 N/A LYS 157.A NZ ASP 153.A OD1 no hydrogen 2.456 N/A LEU 158.A N VAL 155.A O no hydrogen 3.265 N/A LYS 161.A N GLU 120.A OE1 no hydrogen 2.632 N/A LYS 161.A NZ GLY 144.A O no hydrogen 3.163 N/A ASN 162.A N GLU 120.A OE2 no hydrogen 2.726 N/A GLU 164.A N ASN 162.A OD1 no hydrogen 2.903 N/A LYS 165.A N ASN 162.A O no hydrogen 3.070 N/A SER 167.A N GLU 120.A O no hydrogen 3.049 N/A SER 167.A OG GLU 120.A O no hydrogen 3.319 N/A SER 167.A OG SER 121.A OG no hydrogen 3.158 N/A PHE 168.A N VAL 194.A O no hydrogen 2.790 N/A MET 169.A N ILE 122.A O no hydrogen 2.975 N/A THR 170.A N ASP 200.A OD1 no hydrogen 3.137 N/A THR 170.A OG1 GLN 171.A O no hydrogen 2.967 N/A GLN 171.A N ILE 124.A O no hydrogen 2.917 N/A VAL 176.A N GLN 209.A OE1 no hydrogen 2.789 N/A ASP 178.A N SER 175.A OG no hydrogen 3.097 N/A THR 179.A N SER 175.A O no hydrogen 3.036 N/A THR 179.A OG1 SER 175.A O no hydrogen 2.780 N/A SER 180.A N VAL 176.A O no hydrogen 2.936 N/A ASP 181.A N ASP 177.A O no hydrogen 3.380 N/A VAL 182.A N ASP 178.A O no hydrogen 3.170 N/A ILE 183.A N THR 179.A O no hydrogen 2.862 N/A ASP 184.A N SER 180.A O no hydrogen 2.854 N/A ALA 185.A N ASP 181.A O no hydrogen 3.090 N/A LEU 186.A N VAL 182.A O no hydrogen 2.901 N/A ARG 187.A N ILE 183.A O no hydrogen 2.906 N/A ARG 187.A NH1 PRO 196.A O no hydrogen 2.788 N/A LYS 188.A N ASP 184.A O no hydrogen 3.157 N/A ARG 189.A N ALA 185.A O no hydrogen 2.851 N/A ARG 189.A NH1 LEU 158.A O no hydrogen 3.116 N/A ARG 189.A NH1 GLU 163.A OE2 no hydrogen 3.239 N/A ARG 189.A NH2 VAL 155.A O no hydrogen 2.950 N/A ARG 189.A NH2 LEU 158.A O no hydrogen 2.541 N/A PHE 190.A N LEU 186.A O no hydrogen 2.707 N/A LYS 192.A NZ GLU 164.A OE1 no hydrogen 3.121 N/A ILE 193.A N PHE 190.A O no hydrogen 3.051 N/A VAL 194.A N LEU 166.A O no hydrogen 3.077 N/A ASP 200.A N THR 170.A OG1 no hydrogen 2.903 N/A ILE 201.A N ASP 199.A OD1 no hydrogen 2.899 N/A CYS 202.A N THR 172.A O no hydrogen 3.284 N/A CYS 202.A SG THR 172.A O no hydrogen 3.832 N/A CYS 202.A SG THR 205.A OG1 no hydrogen 3.269 N/A THR 205.A OG1 THR 172.A O no hydrogen 3.032 N/A THR 206.A N CYS 202.A O no hydrogen 3.056 N/A THR 206.A OG1 CYS 202.A O no hydrogen 3.290 N/A ASN 207.A N TYR 203.A O no hydrogen 2.852 N/A ASN 207.A ND2 GLU 303.A OE2 no hydrogen 3.022 N/A ARG 208.A N ALA 204.A O no hydrogen 2.809 N/A ARG 208.A NE GLY 15.A O no hydrogen 2.808 N/A ARG 208.A NH1 GLY 15.A O no hydrogen 3.043 N/A ARG 208.A NH1 PHE 16.A O no hydrogen 3.280 N/A ARG 208.A NH1 GLU 303.A OE1 no hydrogen 2.934 N/A ARG 208.A NH2 ALA 204.A O no hydrogen 2.989 N/A ARG 208.A NH2 GLU 303.A OE1 no hydrogen 3.351 N/A ARG 208.A NH2 GLU 303.A OE2 no hydrogen 2.569 N/A GLN 209.A N THR 205.A O no hydrogen 2.959 N/A GLN 209.A NE2 LEU 174.A O no hydrogen 3.163 N/A GLU 210.A N THR 206.A O no hydrogen 3.061 N/A ALA 211.A N ASN 207.A O no hydrogen 2.866 N/A VAL 212.A N ARG 208.A O no hydrogen 2.894 N/A ARG 213.A N GLN 209.A O no hydrogen 2.986 N/A ALA 214.A N GLU 210.A O no hydrogen 3.063 N/A LEU 215.A N ALA 211.A O no hydrogen 2.824 N/A ALA 216.A N VAL 212.A O no hydrogen 2.789 N/A GLU 217.A N ARG 213.A O no hydrogen 3.021 N/A GLN 218.A N LEU 215.A O no hydrogen 3.036 N/A ALA 219.A N LEU 215.A O no hydrogen 3.036 N/A GLU 220.A N CYS 266.A O no hydrogen 2.935 N/A VAL 222.A N ARG 246.A O no hydrogen 2.907 N/A LEU 223.A N GLY 268.A O no hydrogen 3.014 N/A VAL 224.A N PHE 248.A O no hydrogen 2.828 N/A VAL 225.A N THR 270.A O no hydrogen 2.917 N/A GLY 226.A N ILE 250.A O no hydrogen 2.934 N/A SER 227.A OG ASP 251.A OD1 no hydrogen 2.724 N/A LYS 228.A NZ LEU 249.A O no hydrogen 2.440 N/A ASN 229.A ND2 GLU 43.A OE2 no hydrogen 2.668 N/A SER 230.A N SER 227.A O no hydrogen 3.161 N/A SER 230.A OG SER 233.A OG no hydrogen 2.628 N/A SER 233.A N SER 230.A OG no hydrogen 3.385 N/A SER 233.A OG SER 230.A OG no hydrogen 2.628 N/A ASN 234.A N SER 230.A O no hydrogen 2.972 N/A ARG 235.A N SER 231.A O no hydrogen 2.858 N/A ARG 235.A NE GLU 238.A OE2 no hydrogen 3.322 N/A ARG 235.A NH1 GLU 238.A OE1 no hydrogen 2.758 N/A LEU 236.A N ASN 232.A O no hydrogen 3.240 N/A ALA 237.A N SER 233.A O no hydrogen 3.231 N/A GLU 238.A N ASN 234.A O no hydrogen 3.187 N/A LEU 239.A N ARG 235.A O no hydrogen 3.060 N/A ALA 240.A N LEU 236.A O no hydrogen 3.463 N/A GLN 241.A N ALA 237.A O no hydrogen 2.925 N/A ARG 242.A N GLU 238.A O no hydrogen 2.803 N/A ARG 242.A NH1 ASP 178.A OD1 no hydrogen 2.860 N/A ARG 242.A NH2 ASP 178.A OD1 no hydrogen 3.235 N/A ARG 242.A NH2 ASP 178.A OD2 no hydrogen 2.793 N/A MET 243.A N ALA 240.A O no hydrogen 3.025 N/A GLY 244.A N GLN 241.A O no hydrogen 2.968 N/A LYS 245.A N ALA 240.A O no hydrogen 3.285 N/A LYS 245.A NZ ALA 216.A O no hydrogen 2.856 N/A LYS 245.A NZ ALA 219.A O no hydrogen 3.237 N/A ARG 246.A NH1 GLU 259.A OE2 no hydrogen 2.731 N/A ARG 246.A NH2 GLU 259.A OE1 no hydrogen 2.745 N/A ARG 246.A NH2 GLU 259.A OE2 no hydrogen 3.205 N/A PHE 248.A N VAL 222.A O no hydrogen 2.925 N/A ILE 250.A N VAL 224.A O no hydrogen 2.832 N/A ASP 251.A N ASP 255.A OD2 no hydrogen 2.881 N/A ASP 252.A N ASP 255.A OD2 no hydrogen 3.355 N/A LYS 254.A N ASP 252.A OD1 no hydrogen 3.088 N/A ASP 255.A N ASP 252.A O no hydrogen 2.943 N/A ILE 256.A N ALA 253.A O no hydrogen 3.184 N/A TRP 260.A N GLN 257.A O no hydrogen 2.877 N/A VAL 261.A N GLU 258.A O no hydrogen 3.086 N/A LYS 262.A N GLU 258.A O no hydrogen 3.030 N/A LYS 262.A N GLU 259.A O no hydrogen 3.330 N/A VAL 264.A N VAL 261.A O no hydrogen 3.041 N/A LYS 265.A N GLU 220.A OE1 no hydrogen 2.781 N/A CYS 266.A SG GLN 218.A O no hydrogen 3.614 N/A VAL 267.A N GLN 7.A O no hydrogen 2.820 N/A GLY 268.A N VAL 221.A O no hydrogen 2.809 N/A VAL 269.A N LEU 9.A O no hydrogen 2.813 N/A THR 270.A N LEU 223.A O no hydrogen 2.814 N/A ALA 271.A N THR 270.A OG1 no hydrogen 2.921 N/A GLY 272.A N VAL 225.A O no hydrogen 3.061 N/A ALA 273.A N ASN 232.A OD1 no hydrogen 2.811 N/A ALA 275.A N GLY 272.A O no hydrogen 3.158 N/A LEU 279.A N PRO 276.A O no hydrogen 3.121 N/A VAL 280.A N ASP 277.A O no hydrogen 2.727 N/A GLN 281.A N ASP 277.A O no hydrogen 2.939 N/A ASN 282.A N ILE 278.A O no hydrogen 2.918 N/A VAL 283.A N LEU 279.A O no hydrogen 3.004 N/A VAL 284.A N VAL 280.A O no hydrogen 2.817 N/A ALA 285.A N GLN 281.A O no hydrogen 3.008 N/A ARG 286.A N ASN 282.A O no hydrogen 2.910 N/A ARG 286.A NE GLN 289.A OE1 no hydrogen 3.093 N/A ARG 286.A NH2 GLN 289.A OE1 no hydrogen 3.164 N/A LEU 287.A N VAL 283.A O no hydrogen 2.746 N/A GLN 288.A N VAL 284.A O no hydrogen 2.889 N/A GLN 289.A N ALA 285.A O no hydrogen 3.060 N/A LEU 290.A N LEU 287.A O no hydrogen 2.897 N/A GLY 291.A N GLN 288.A O no hydrogen 2.834 N/A GLY 292.A N LEU 287.A O no hydrogen 3.058 N/A ILE 296.A N ILE 8.A O no hydrogen 3.069 N/A LEU 298.A N LEU 10.A O no hydrogen 2.812 N/A ARG 301.A NE GLU 210.A OE2 no hydrogen 2.823 N/A ARG 301.A NH1 GLU 210.A OE1 no hydrogen 2.969 N/A ARG 301.A NH1 GLU 210.A OE2 no hydrogen 3.326 N/A LEU 313.A N PRO 310.A O no hydrogen 2.669 N/A ARG 314.A N LYS 311.A O no hydrogen 3.357 N/A