Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xtb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N ALA 311.A O no hydrogen 2.820 N/A VAL 9.A N PHE 84.A O no hydrogen 2.799 N/A TYR 10.A N ILE 164.A O no hydrogen 2.729 N/A VAL 11.A N THR 86.A O no hydrogen 2.800 N/A GLN 12.A N TYR 166.A O no hydrogen 3.103 N/A CYS 13.A N VAL 88.A O no hydrogen 3.240 N/A CYS 13.A SG SER 168.A OG no hydrogen 2.759 N/A LEU 16.A N GLY 63.A O no hydrogen 3.020 N/A LEU 17.A N GLY 122.A O no hydrogen 2.811 N/A ASP 18.A N VAL 61.A O no hydrogen 2.868 N/A VAL 19.A N CYS 124.A O no hydrogen 2.712 N/A SER 20.A N ARG 59.A O no hydrogen 2.751 N/A ALA 21.A N VAL 126.A O no hydrogen 3.022 N/A VAL 23.A N ILE 128.A O no hydrogen 2.712 N/A PHE 27.A N SER 24.A O no hydrogen 3.154 N/A PHE 27.A N SER 24.A OG no hydrogen 3.331 N/A VAL 29.A N ASP 25.A O no hydrogen 3.058 N/A LYS 30.A N GLU 26.A O no hydrogen 2.784 N/A LYS 30.A NZ ASP 51.A OD2 no hydrogen 2.842 N/A TYR 31.A N PHE 27.A O no hydrogen 3.209 N/A TYR 31.A N LEU 28.A O no hydrogen 3.111 N/A TYR 31.A OH ASP 51.A OD2 no hydrogen 2.947 N/A GLY 32.A N VAL 29.A O no hydrogen 3.241 N/A LEU 33.A N LEU 28.A O no hydrogen 2.897 N/A ARG 35.A NH1 ASP 25.A OD1 no hydrogen 2.912 N/A ARG 35.A NH1 THR 129.A OG1 no hydrogen 3.052 N/A ARG 35.A NH2 ASP 25.A OD1 no hydrogen 3.178 N/A ARG 35.A NH2 ASP 25.A OD2 no hydrogen 3.089 N/A GLY 36.A N THR 134.A OG1 no hydrogen 2.888 N/A THR 37.A N GLU 34.A O no hydrogen 3.395 N/A THR 37.A OG1 GLU 34.A O no hydrogen 2.796 N/A ILE 39.A N LEU 135.A O no hydrogen 3.003 N/A LEU 41.A N ALA 137.A O no hydrogen 2.802 N/A SER 42.A N GLN 45.A OE1 no hydrogen 2.856 N/A SER 42.A OG GLN 45.A OE1 no hydrogen 2.595 N/A ARG 44.A NH1 LYS 30.A O no hydrogen 2.953 N/A ARG 44.A NH1 ARG 44.A O no hydrogen 2.815 N/A ARG 44.A NH2 LYS 30.A O no hydrogen 3.177 N/A GLN 45.A N SER 42.A O no hydrogen 3.200 N/A GLN 45.A NE2 TYR 31.A O no hydrogen 3.455 N/A LYS 46.A N GLU 43.A O no hydrogen 3.294 N/A ILE 48.A N GLN 45.A O no hydrogen 3.237 N/A ASP 51.A N GLY 47.A O no hydrogen 2.969 N/A ASP 51.A N ILE 48.A O no hydrogen 3.167 N/A ILE 52.A N ILE 48.A O no hydrogen 2.742 N/A LYS 54.A N ASP 51.A O no hydrogen 3.235 N/A MET 55.A N ILE 52.A O no hydrogen 3.385 N/A VAL 58.A N MET 55.A O no hydrogen 2.937 N/A ARG 59.A N SER 20.A O no hydrogen 2.579 N/A TYR 60.A OH GLU 53.A OE1 no hydrogen 2.750 N/A VAL 61.A N ASP 18.A O no hydrogen 3.202 N/A GLY 63.A N LEU 16.A O no hydrogen 2.604 N/A SER 65.A OG ASP 300.A OD1 no hydrogen 2.732 N/A ASN 68.A N GLY 64.A O no hydrogen 2.855 N/A VAL 69.A N SER 65.A O no hydrogen 3.023 N/A ALA 70.A N GLY 66.A O no hydrogen 2.963 N/A ARG 71.A N LEU 67.A O no hydrogen 2.898 N/A ARG 71.A NE GLU 107.A OE1 no hydrogen 2.647 N/A ARG 71.A NH1 PRO 62.A O no hydrogen 2.941 N/A ARG 71.A NH1 ASN 68.A OD1 no hydrogen 3.499 N/A ARG 71.A NH2 GLU 107.A OE2 no hydrogen 3.286 N/A VAL 72.A N ASN 68.A O no hydrogen 3.002 N/A ALA 73.A N VAL 69.A O no hydrogen 2.990 N/A GLN 74.A N ALA 70.A O no hydrogen 3.069 N/A GLN 74.A NE2 TYR 80.A O no hydrogen 3.118 N/A TRP 75.A N ARG 71.A O no hydrogen 2.924 N/A MET 76.A N VAL 72.A O no hydrogen 3.247 N/A MET 76.A N ALA 73.A O no hydrogen 3.337 N/A GLN 77.A N ALA 73.A O no hydrogen 3.358 N/A GLN 77.A NE2 SER 308.A O no hydrogen 3.315 N/A GLN 78.A NE2 TRP 75.A O no hydrogen 3.141 N/A TYR 80.A N GLN 77.A O no hydrogen 3.270 N/A GLY 82.A N GLY 108.A O no hydrogen 2.976 N/A LYS 83.A N TYR 80.A O no hydrogen 3.162 N/A VAL 85.A N GLN 74.A OE1 no hydrogen 3.372 N/A THR 86.A N VAL 9.A O no hydrogen 2.747 N/A TYR 87.A N VAL 110.A O no hydrogen 2.659 N/A VAL 88.A N VAL 11.A O no hydrogen 2.765 N/A CYS 90.A SG ILE 91.A O no hydrogen 3.759 N/A CYS 90.A SG GLU 114.A O no hydrogen 4.018 N/A CYS 90.A SG GLU 114.A OE1 no hydrogen 3.625 N/A CYS 90.A SG ALA 141.A O no hydrogen 3.257 N/A ILE 91.A N GLU 114.A O no hydrogen 2.819 N/A ALA 92.A N SER 121.A OG no hydrogen 2.707 N/A ARG 95.A NH1 GLU 53.A OE1 no hydrogen 3.016 N/A ARG 95.A NH2 GLU 53.A OE1 no hydrogen 2.969 N/A ARG 95.A NH2 GLU 53.A OE2 no hydrogen 2.734 N/A TYR 96.A OH GLU 53.A OE2 no hydrogen 2.856 N/A GLY 97.A N ASP 94.A OD1 no hydrogen 2.885 N/A LYS 98.A N ASP 94.A O no hydrogen 3.060 N/A LYS 98.A NZ ASP 93.A O no hydrogen 3.356 N/A VAL 99.A N ARG 95.A O no hydrogen 3.396 N/A LEU 100.A N TYR 96.A O no hydrogen 3.228 N/A LYS 101.A N GLY 97.A O no hydrogen 2.869 N/A LYS 101.A NZ GLU 105.A OE2 no hydrogen 2.596 N/A GLU 102.A N LYS 98.A O no hydrogen 2.729 N/A ALA 103.A N VAL 99.A O no hydrogen 2.919 N/A ALA 104.A N LEU 100.A O no hydrogen 3.091 N/A ALA 104.A N LYS 101.A O no hydrogen 3.303 N/A GLU 105.A N LYS 101.A O no hydrogen 2.963 N/A HIS 106.A N GLU 102.A O no hydrogen 3.329 N/A GLY 108.A N GLU 105.A O no hydrogen 2.735 N/A ILE 109.A N ALA 104.A O no hydrogen 3.162 N/A VAL 110.A N VAL 85.A O no hydrogen 2.919 N/A GLU 114.A N GLY 89.A O no hydrogen 2.749 N/A THR 116.A N ILE 91.A O no hydrogen 3.018 N/A LYS 118.A N THR 116.A OG1 no hydrogen 3.075 N/A LYS 118.A NZ THR 116.A OG1 no hydrogen 3.173 N/A SER 121.A N ASP 94.A OD2 no hydrogen 2.859 N/A SER 121.A OG ASP 94.A OD1 no hydrogen 2.661 N/A ALA 123.A N ASP 138.A O no hydrogen 3.043 N/A CYS 124.A N LEU 17.A O no hydrogen 2.867 N/A CYS 124.A SG VAL 136.A O no hydrogen 3.865 N/A ALA 125.A N VAL 136.A O no hydrogen 2.713 N/A VAL 126.A N VAL 19.A O no hydrogen 2.783 N/A CYS 127.A N THR 134.A O no hydrogen 2.855 N/A CYS 127.A SG ALA 125.A O no hydrogen 4.028 N/A ILE 128.A N ALA 21.A O no hydrogen 2.881 N/A THR 129.A N GLU 132.A O no hydrogen 2.836 N/A THR 129.A OG1 THR 129.A O no hydrogen 2.646 N/A THR 129.A OG1 GLU 132.A O no hydrogen 3.487 N/A LYS 131.A NZ VAL 292.A O no hydrogen 3.140 N/A GLU 132.A N THR 129.A O no hydrogen 3.142 N/A THR 134.A N CYS 127.A O no hydrogen 2.785 N/A LEU 135.A N THR 37.A O no hydrogen 3.139 N/A VAL 136.A N ALA 125.A O no hydrogen 3.045 N/A ALA 137.A N ILE 39.A O no hydrogen 3.003 N/A ASP 138.A N ALA 123.A O no hydrogen 2.807 N/A ALA 141.A N GLY 120.A O no hydrogen 2.806 N/A ALA 142.A N LEU 139.A O no hydrogen 3.267 N/A ASN 143.A N GLY 140.A O no hydrogen 3.222 N/A HIS 144.A N ALA 141.A O no hydrogen 2.803 N/A SER 146.A N GLU 114.A OE1 no hydrogen 2.978 N/A SER 146.A OG GLU 114.A OE1 no hydrogen 3.206 N/A SER 146.A OG GLU 114.A OE2 no hydrogen 2.894 N/A HIS 149.A N SER 146.A OG no hydrogen 3.309 N/A HIS 149.A NE2 ALA 112.A O no hydrogen 2.799 N/A MET 150.A N SER 146.A O no hydrogen 3.302 N/A ARG 151.A N SER 147.A O no hydrogen 3.020 N/A SER 152.A N GLU 148.A O no hydrogen 3.125 N/A SER 152.A N HIS 149.A O no hydrogen 3.170 N/A SER 152.A OG HIS 149.A O no hydrogen 2.524 N/A VAL 155.A N SER 152.A O no hydrogen 3.078 N/A VAL 156.A N SER 152.A O no hydrogen 3.187 N/A ARG 157.A N PRO 153.A O no hydrogen 3.074 N/A ALA 158.A N ALA 154.A O no hydrogen 3.006 N/A MET 159.A N VAL 155.A O no hydrogen 2.877 N/A ASP 160.A N VAL 156.A O no hydrogen 2.854 N/A GLU 161.A N ARG 157.A O no hydrogen 2.771 N/A SER 162.A N MET 159.A O no hydrogen 3.259 N/A SER 162.A OG ALA 158.A O no hydrogen 2.712 N/A ARG 163.A N ARG 8.A O no hydrogen 2.853 N/A ARG 163.A NH1 ASP 160.A O no hydrogen 2.996 N/A ARG 163.A NH1 SER 162.A O no hydrogen 2.859 N/A ILE 164.A N ARG 8.A O no hydrogen 3.215 N/A PHE 165.A N LEU 192.A O no hydrogen 2.706 N/A TYR 166.A N TYR 10.A O no hydrogen 2.796 N/A PHE 167.A N MET 194.A O no hydrogen 2.879 N/A GLY 169.A N SER 198.A OG no hydrogen 3.018 N/A THR 171.A N SER 168.A O no hydrogen 3.301 N/A THR 171.A OG1 SER 168.A O no hydrogen 2.695 N/A LEU 172.A N GLY 169.A O no hydrogen 3.091 N/A THR 173.A N PHE 170.A O no hydrogen 3.171 N/A THR 173.A OG1 PHE 170.A O no hydrogen 2.421 N/A ASN 177.A N ASP 175.A OD1 no hydrogen 3.359 N/A HIS 178.A N ASP 175.A O no hydrogen 3.214 N/A HIS 178.A NE2 LEU 145.A O no hydrogen 3.008 N/A LEU 180.A N VAL 176.A O no hydrogen 2.846 N/A GLN 181.A N ASN 177.A O no hydrogen 2.925 N/A GLN 181.A NE2 MET 150.A O no hydrogen 3.579 N/A CYS 183.A N VAL 179.A O no hydrogen 2.916 N/A CYS 183.A SG VAL 179.A O no hydrogen 3.384 N/A ARG 184.A N LEU 180.A O no hydrogen 3.131 N/A LYS 185.A N GLN 181.A O no hydrogen 3.064 N/A LYS 185.A NZ ASP 160.A OD1 no hydrogen 2.988 N/A LYS 185.A NZ GLU 188.A OE2 no hydrogen 3.062 N/A ALA 186.A N ALA 182.A O no hydrogen 2.820 N/A ARG 187.A N CYS 183.A O no hydrogen 3.289 N/A ARG 187.A NH1 THR 255.A OG1 no hydrogen 3.071 N/A ARG 187.A NH2 PRO 215.A O no hydrogen 3.203 N/A ARG 187.A NH2 THR 255.A OG1 no hydrogen 2.833 N/A GLU 188.A N ARG 184.A O no hydrogen 3.008 N/A VAL 189.A N LYS 185.A O no hydrogen 2.943 N/A LEU 192.A N ARG 163.A O no hydrogen 2.855 N/A PHE 193.A N ASP 218.A OD2 no hydrogen 2.791 N/A MET 194.A N PHE 165.A O no hydrogen 2.641 N/A ILE 195.A N ILE 219.A O no hydrogen 3.009 N/A ASN 196.A N PHE 167.A O no hydrogen 2.932 N/A LEU 197.A N VAL 221.A O no hydrogen 2.843 N/A SER 198.A N ASN 196.A OD1 no hydrogen 3.051 N/A SER 198.A OG ASN 196.A O no hydrogen 3.332 N/A ALA 199.A N LEU 197.A O no hydrogen 2.627 N/A ILE 202.A N ALA 199.A O no hydrogen 3.110 N/A GLN 204.A N PRO 200.A O no hydrogen 3.290 N/A PHE 205.A N PHE 201.A O no hydrogen 2.739 N/A PHE 206.A N ILE 202.A O no hydrogen 2.913 N/A LEU 210.A N PHE 206.A O no hydrogen 3.133 N/A GLY 211.A N SER 207.A O no hydrogen 2.890 N/A GLU 212.A N ALA 208.A O no hydrogen 3.281 N/A GLU 212.A N GLN 209.A O no hydrogen 3.257 N/A VAL 213.A N LEU 210.A O no hydrogen 2.937 N/A LEU 214.A N LEU 210.A O no hydrogen 2.932 N/A TYR 216.A N VAL 213.A O no hydrogen 3.170 N/A THR 217.A N LEU 214.A O no hydrogen 2.828 N/A THR 217.A OG1 VAL 213.A O no hydrogen 2.757 N/A ASP 218.A N PHE 193.A O no hydrogen 2.814 N/A ILE 219.A N PHE 193.A O no hydrogen 3.229 N/A ILE 220.A N VAL 261.A O no hydrogen 2.872 N/A VAL 221.A N ILE 195.A O no hydrogen 2.947 N/A ALA 222.A N VAL 263.A O no hydrogen 2.915 N/A ASN 223.A N GLU 226.A OE1 no hydrogen 3.380 N/A ARG 224.A NH1 ASP 267.A OD1 no hydrogen 2.876 N/A ARG 224.A NH1 ASP 267.A OD2 no hydrogen 2.596 N/A ARG 224.A NH2 ARG 266.A O no hydrogen 3.212 N/A ARG 224.A NH2 ASP 267.A OD1 no hydrogen 3.309 N/A GLU 226.A N ASN 223.A OD1 no hydrogen 2.908 N/A ALA 227.A N ASN 223.A O no hydrogen 2.723 N/A LYS 228.A N ARG 224.A O no hydrogen 2.947 N/A LYS 228.A NZ THR 238.A O no hydrogen 2.762 N/A GLU 229.A N HIS 225.A O no hydrogen 3.283 N/A PHE 230.A N GLU 226.A O no hydrogen 3.161 N/A ALA 231.A N ALA 227.A O no hydrogen 3.186 N/A ASN 232.A N LYS 228.A O no hydrogen 3.002 N/A ASN 232.A ND2 GLU 229.A OE1 no hydrogen 3.126 N/A MET 233.A N GLU 229.A O no hydrogen 2.818 N/A MET 234.A N PHE 230.A O no hydrogen 2.919 N/A LYS 235.A N ASN 232.A O no hydrogen 3.316 N/A TRP 236.A N ALA 231.A O no hydrogen 2.635 N/A THR 238.A N TRP 236.A O no hydrogen 2.767 N/A CYS 240.A N THR 238.A OG1 no hydrogen 3.079 N/A ILE 244.A N CYS 240.A O no hydrogen 3.083 N/A ALA 245.A N VAL 241.A O no hydrogen 2.929 N/A ARG 246.A N GLU 242.A O no hydrogen 2.996 N/A ARG 247.A N GLU 243.A O no hydrogen 3.141 N/A ARG 247.A NE GLU 251.A OE1 no hydrogen 2.992 N/A ARG 247.A NH1 GLU 243.A OE2 no hydrogen 2.558 N/A ARG 247.A NH2 GLU 251.A OE1 no hydrogen 3.410 N/A ALA 248.A N ILE 244.A O no hydrogen 2.978 N/A VAL 249.A N ARG 246.A O no hydrogen 3.243 N/A GLU 251.A N ARG 247.A O no hydrogen 2.832 N/A TYR 254.A OH ASP 218.A OD1 no hydrogen 2.574 N/A THR 255.A N PRO 215.A O no hydrogen 2.992 N/A THR 255.A OG1 PRO 215.A O no hydrogen 3.323 N/A LYS 258.A NZ ASP 190.A O no hydrogen 3.098 N/A GLY 259.A N TYR 254.A OH no hydrogen 2.744 N/A ARG 260.A NE THR 217.A O no hydrogen 2.824 N/A ARG 260.A NH1 ALA 248.A O no hydrogen 2.769 N/A ARG 260.A NH1 VAL 252.A O no hydrogen 3.265 N/A ARG 260.A NH2 THR 217.A O no hydrogen 2.998 N/A ARG 260.A NH2 PRO 253.A O no hydrogen 2.911 N/A VAL 261.A N ASP 218.A O no hydrogen 2.731 N/A VAL 262.A N ALA 274.A O no hydrogen 2.903 N/A VAL 263.A N ILE 220.A O no hydrogen 2.755 N/A PHE 264.A N VAL 272.A O no hydrogen 2.827 N/A THR 265.A N ALA 222.A O no hydrogen 2.772 N/A ARG 266.A NE SER 270.A O no hydrogen 2.743 N/A ARG 266.A NH1 GLU 242.A OE2 no hydrogen 3.408 N/A ARG 266.A NH2 SER 270.A O no hydrogen 3.228 N/A ARG 266.A NH2 SER 270.A OG no hydrogen 2.710 N/A ILE 268.A N ASP 267.A OD1 no hydrogen 2.745 N/A GLU 269.A N ARG 266.A O no hydrogen 2.651 N/A THR 271.A N VAL 282.A O no hydrogen 2.771 N/A THR 271.A OG1 HIS 324.A NE2 no hydrogen 2.561 N/A VAL 272.A N PHE 264.A O no hydrogen 2.710 N/A LEU 273.A N GLU 280.A O no hydrogen 2.686 N/A ALA 274.A N VAL 262.A O no hydrogen 2.892 N/A THR 275.A N GLY 278.A O no hydrogen 3.082 N/A ASP 277.A N THR 275.A OG1 no hydrogen 3.200 N/A GLU 280.A N LEU 273.A O no hydrogen 2.703 N/A VAL 282.A N THR 271.A O no hydrogen 2.748 N/A LYS 291.A N ASP 288.A O no hydrogen 2.989 N/A ILE 293.A N ILE 331.A O no hydrogen 2.835 N/A ASP 294.A N ILE 331.A O no hydrogen 3.329 N/A MET 295.A N ASP 294.A OD1 no hydrogen 2.780 N/A ALA 298.A N MET 295.A O no hydrogen 3.189 N/A ALA 301.A N GLY 297.A O no hydrogen 2.941 N/A PHE 302.A N ALA 298.A O no hydrogen 2.923 N/A MET 303.A N GLY 299.A O no hydrogen 3.184 N/A GLY 304.A N ASP 300.A O no hydrogen 2.901 N/A GLY 305.A N ALA 301.A O no hydrogen 3.075 N/A PHE 306.A N PHE 302.A O no hydrogen 2.883 N/A LEU 307.A N MET 303.A O no hydrogen 3.109 N/A SER 308.A N GLY 304.A O no hydrogen 3.274 N/A SER 308.A OG GLY 305.A O no hydrogen 2.945 N/A ALA 309.A N GLY 305.A O no hydrogen 3.316 N/A TYR 310.A N PHE 306.A O no hydrogen 3.173 N/A ALA 311.A N LEU 307.A O no hydrogen 2.793 N/A GLY 313.A N TYR 310.A O no hydrogen 2.939 N/A LYS 314.A N ALA 309.A O no hydrogen 2.900 N/A ARG 317.A NH1 GLU 280.A OE1 no hydrogen 2.700 N/A ARG 317.A NH2 THR 281.A O no hydrogen 3.205 N/A ARG 318.A N ASP 315.A OD1 no hydrogen 3.223 N/A CYS 319.A N ASP 315.A O no hydrogen 2.974 N/A CYS 319.A SG PHE 306.A O no hydrogen 3.973 N/A CYS 319.A SG LYS 314.A O no hydrogen 3.440 N/A CYS 319.A SG ASP 315.A O no hydrogen 3.210 N/A CYS 320.A N LEU 316.A O no hydrogen 3.196 N/A CYS 320.A SG LEU 316.A O no hydrogen 3.556 N/A GLU 321.A N ARG 317.A O no hydrogen 3.136 N/A THR 322.A N ARG 318.A O no hydrogen 3.073 N/A THR 322.A OG1 ARG 318.A O no hydrogen 2.541 N/A GLY 323.A N CYS 319.A O no hydrogen 2.942 N/A HIS 324.A N CYS 320.A O no hydrogen 2.928 N/A HIS 324.A NE2 THR 271.A OG1 no hydrogen 2.561 N/A TYR 325.A N GLU 321.A O no hydrogen 2.990 N/A TYR 325.A OH SER 336.A OG no hydrogen 3.307 N/A THR 326.A N THR 322.A O no hydrogen 3.275 N/A THR 326.A OG1 ALA 301.A O no hydrogen 2.717 N/A THR 326.A OG1 THR 322.A O no hydrogen 2.927 N/A THR 326.A OG1 GLY 323.A O no hydrogen 2.943 N/A ALA 327.A N GLY 323.A O no hydrogen 2.886 N/A GLN 328.A N HIS 324.A O no hydrogen 3.033 N/A GLN 328.A NE2 PRO 285.A O no hydrogen 2.869 N/A GLU 329.A N TYR 325.A O no hydrogen 3.060 N/A VAL 330.A N THR 326.A O no hydrogen 2.947 N/A ILE 331.A N ALA 327.A O no hydrogen 2.885 N/A GLN 332.A N GLU 329.A O no hydrogen 3.305 N/A ARG 333.A N VAL 330.A O no hydrogen 3.435 N/A SER 336.A N TYR 325.A OH no hydrogen 2.721 N/A SER 336.A OG TYR 325.A OH no hydrogen 3.307 N/A