Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6whc_B.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 12.B N GLU 12.B OE2 no hydrogen 2.375 N/A GLN 13.B N GLN 13.B OE1 no hydrogen 2.331 N/A GLN 13.B NE2 GLU 10.B O no hydrogen 2.619 N/A LEU 14.B N ALA 11.B O no hydrogen 2.952 N/A ASN 16.B N GLU 12.B O no hydrogen 2.933 N/A ASP 20.B N ASN 16.B O no hydrogen 2.959 N/A ALA 21.B N GLN 17.B O no hydrogen 2.940 N/A ARG 22.B N ILE 18.B O no hydrogen 2.819 N/A ARG 22.B NE ASP 258.B O no hydrogen 2.489 N/A ARG 22.B NH2 ASP 258.B OD1 no hydrogen 3.410 N/A LYS 23.B N ARG 19.B O no hydrogen 3.285 N/A ALA 24.B N ASP 20.B O no hydrogen 2.952 N/A CYS 25.B SG ALA 21.B O no hydrogen 3.268 N/A ALA 26.B N LYS 23.B O no hydrogen 3.286 N/A THR 29.B N GLN 32.B OE1 no hydrogen 2.612 N/A THR 29.B OG1 GLN 32.B OE1 no hydrogen 2.432 N/A GLN 32.B N THR 29.B O no hydrogen 3.175 N/A ILE 33.B N THR 29.B O no hydrogen 3.254 N/A THR 34.B N LEU 30.B O no hydrogen 3.310 N/A THR 34.B OG1 LEU 30.B O no hydrogen 3.141 N/A THR 34.B OG1 LEU 300.B O no hydrogen 2.656 N/A THR 47.B OG1 ARG 49.B O no hydrogen 2.751 N/A ARG 48.B N ILE 338.B O no hydrogen 2.833 N/A ARG 49.B NE SER 84.B O no hydrogen 3.301 N/A ARG 49.B NH2 TYR 85.B O no hydrogen 2.485 N/A THR 50.B OG1 ARG 49.B O no hydrogen 2.844 N/A LEU 51.B N LEU 336.B O no hydrogen 2.852 N/A ARG 52.B N THR 50.B O no hydrogen 2.928 N/A HIS 54.B NE2 SER 72.B OG no hydrogen 2.406 N/A LEU 55.B N ASP 76.B OD2 no hydrogen 3.314 N/A TYR 59.B N ALA 73.B O no hydrogen 2.887 N/A HIS 62.B N VAL 71.B O no hydrogen 3.088 N/A GLY 64.B N LEU 69.B O no hydrogen 2.928 N/A THR 65.B OG1 PRO 107.B O no hydrogen 3.277 N/A SER 67.B OG SER 67.B O no hydrogen 2.287 N/A SER 67.B OG ASP 323.B OD1 no hydrogen 3.127 N/A ARG 68.B N ASP 66.B OD1 no hydrogen 2.969 N/A ARG 68.B NH2 ASP 83.B OD2 no hydrogen 2.599 N/A LEU 69.B N ASP 66.B OD1 no hydrogen 3.155 N/A LEU 70.B N TRP 82.B O no hydrogen 3.354 N/A VAL 71.B N HIS 62.B O no hydrogen 3.164 N/A SER 72.B N ILE 80.B O no hydrogen 2.928 N/A SER 72.B OG HIS 54.B NE2 no hydrogen 2.406 N/A ALA 73.B N ALA 60.B O no hydrogen 2.800 N/A SER 74.B OG HIS 54.B ND1 no hydrogen 2.681 N/A SER 74.B OG ASP 76.B OD1 no hydrogen 2.301 N/A GLN 75.B N LYS 57.B O no hydrogen 3.405 N/A LYS 78.B N ASP 76.B OD1 no hydrogen 3.395 N/A LEU 79.B N ILE 93.B O no hydrogen 3.103 N/A ILE 81.B N HIS 91.B O no hydrogen 2.981 N/A TRP 82.B N LEU 70.B O no hydrogen 2.888 N/A TRP 82.B NE1 SER 72.B OG no hydrogen 3.182 N/A ASP 83.B N ASN 88.B O no hydrogen 2.646 N/A SER 84.B N ARG 68.B O no hydrogen 2.756 N/A SER 84.B OG ARG 68.B O no hydrogen 2.615 N/A THR 87.B N ASP 83.B O no hydrogen 2.956 N/A VAL 90.B N ILE 81.B O no hydrogen 2.839 N/A ILE 93.B N LEU 79.B O no hydrogen 3.434 N/A LEU 95.B N GLY 77.B O no hydrogen 2.631 N/A VAL 100.B N SER 98.B O no hydrogen 2.910 N/A CYS 103.B SG ALA 60.B O no hydrogen 3.386 N/A ALA 104.B N ALA 113.B O no hydrogen 2.971 N/A ALA 106.B N TYR 111.B O no hydrogen 3.142 N/A SER 108.B OG ASP 154.B OD1 no hydrogen 2.898 N/A SER 108.B OG ASP 154.B OD2 no hydrogen 2.674 N/A ASN 110.B N SER 108.B OG no hydrogen 3.126 N/A ASN 110.B ND2 ASP 154.B OD2 no hydrogen 2.637 N/A VAL 112.B N TYR 124.B O no hydrogen 3.130 N/A ALA 113.B N ALA 104.B O no hydrogen 3.046 N/A CYS 114.B N SER 122.B O no hydrogen 3.003 N/A CYS 114.B SG THR 102.B O no hydrogen 3.645 N/A LEU 117.B N TRP 99.B O no hydrogen 2.785 N/A ASN 119.B ND2 GLY 144.B O no hydrogen 2.889 N/A ILE 123.B N ARG 137.B O no hydrogen 3.124 N/A TYR 124.B N VAL 112.B O no hydrogen 2.643 N/A ASN 125.B N ARG 134.B O no hydrogen 2.947 N/A LEU 126.B N ASN 110.B O no hydrogen 3.100 N/A LYS 127.B N ASN 125.B OD1 no hydrogen 2.938 N/A LYS 127.B NZ ASN 110.B OD1 no hydrogen 3.453 N/A THR 128.B OG1 GLU 130.B O no hydrogen 2.644 N/A THR 128.B OG1 ASN 132.B O no hydrogen 3.216 N/A GLU 130.B N GLU 130.B OE1 no hydrogen 2.238 N/A SER 136.B N ILE 123.B O no hydrogen 2.533 N/A LEU 139.B N CYS 121.B O no hydrogen 2.805 N/A THR 143.B N ASP 163.B OD2 no hydrogen 2.715 N/A THR 143.B OG1 ASP 163.B OD2 no hydrogen 2.581 N/A GLY 144.B N ASP 163.B OD2 no hydrogen 3.038 N/A LEU 146.B N GLY 116.B O no hydrogen 2.979 N/A SER 147.B N SER 160.B O no hydrogen 2.692 N/A SER 147.B OG SER 160.B O no hydrogen 2.736 N/A SER 147.B OG VAL 187.B O no hydrogen 2.976 N/A CYS 148.B N SER 160.B O no hydrogen 3.339 N/A CYS 148.B SG LEU 190.B O no hydrogen 3.918 N/A ARG 150.B N VAL 158.B O no hydrogen 3.017 N/A ARG 150.B NH1 CYS 103.B O no hydrogen 3.115 N/A LEU 152.B N GLN 156.B O no hydrogen 3.013 N/A ASP 153.B N GLN 156.B O no hydrogen 3.455 N/A ASN 155.B N ASP 153.B OD1 no hydrogen 3.326 N/A GLN 156.B N ASP 153.B OD1 no hydrogen 2.884 N/A GLN 156.B NE2 ASP 153.B OD1 no hydrogen 3.140 N/A GLN 156.B NE2 ASP 153.B OD2 no hydrogen 2.839 N/A VAL 158.B N ARG 150.B O no hydrogen 3.224 N/A THR 159.B N ALA 167.B O no hydrogen 2.969 N/A SER 161.B N THR 165.B O no hydrogen 3.307 N/A SER 161.B OG TYR 145.B O no hydrogen 3.204 N/A SER 161.B OG ASP 163.B OD1 no hydrogen 3.106 N/A THR 164.B OG1 ASP 163.B O no hydrogen 2.708 N/A THR 165.B OG1 ASP 163.B O no hydrogen 3.292 N/A THR 165.B OG1 ASP 163.B OD1 no hydrogen 2.392 N/A CYS 166.B N PHE 180.B O no hydrogen 2.864 N/A CYS 166.B SG SER 160.B OG no hydrogen 3.048 N/A ALA 167.B N THR 159.B O no hydrogen 3.222 N/A LEU 168.B N THR 178.B O no hydrogen 2.660 N/A TRP 169.B N ILE 157.B O no hydrogen 2.881 N/A ASP 170.B N GLN 175.B O no hydrogen 3.382 N/A ILE 171.B N ASN 155.B O no hydrogen 2.940 N/A GLU 172.B N GLU 172.B OE1 no hydrogen 2.695 N/A THR 173.B OG1 ASP 170.B OD1 no hydrogen 3.129 N/A THR 173.B OG1 ASP 170.B OD2 no hydrogen 2.673 N/A GLY 174.B N ASP 170.B O no hydrogen 2.986 N/A THR 177.B OG1 ASP 170.B OD1 no hydrogen 3.242 N/A THR 178.B N LEU 168.B O no hydrogen 3.131 N/A THR 179.B OG1 GLN 176.B OE1 no hydrogen 2.688 N/A PHE 180.B N CYS 166.B O no hydrogen 2.516 N/A HIS 183.B NE2 SER 201.B O no hydrogen 3.205 N/A THR 184.B N ASP 205.B OD2 no hydrogen 3.156 N/A THR 184.B OG1 ASP 205.B OD2 no hydrogen 2.707 N/A MET 188.B N GLY 202.B O no hydrogen 3.054 N/A ALA 193.B N LEU 198.B O no hydrogen 3.229 N/A THR 196.B N ALA 193.B O no hydrogen 3.103 N/A THR 196.B OG1 ASP 195.B O no hydrogen 2.669 N/A PHE 199.B N TRP 211.B O no hydrogen 3.297 N/A SER 201.B OG HIS 183.B NE2 no hydrogen 3.338 N/A CYS 204.B N ASP 186.B O no hydrogen 2.757 N/A CYS 204.B SG ASP 186.B O no hydrogen 3.226 N/A SER 207.B OG ASP 205.B OD1 no hydrogen 2.915 N/A ALA 208.B N PHE 222.B O no hydrogen 2.750 N/A LYS 209.B N SER 201.B O no hydrogen 2.848 N/A LYS 209.B NZ GLY 182.B O no hydrogen 2.893 N/A LEU 210.B N GLN 220.B O no hydrogen 2.846 N/A TRP 211.B N PHE 199.B O no hydrogen 2.816 N/A VAL 213.B N ARG 197.B O no hydrogen 3.332 N/A GLY 216.B N ASP 212.B O no hydrogen 3.361 N/A CYS 218.B SG LEU 210.B O no hydrogen 3.688 N/A CYS 218.B SG GLN 220.B O no hydrogen 3.281 N/A CYS 218.B SG THR 221.B OG1 no hydrogen 2.992 N/A ARG 219.B N LEU 210.B O no hydrogen 2.790 N/A ARG 219.B NH2 ASP 212.B OD2 no hydrogen 2.601 N/A PHE 222.B N ALA 208.B O no hydrogen 3.207 N/A THR 223.B OG1 ALA 206.B O no hydrogen 3.053 N/A HIS 225.B NE2 THR 243.B O no hydrogen 3.154 N/A ILE 229.B N ALA 203.B O no hydrogen 3.295 N/A ASN 230.B N GLY 244.B O no hydrogen 3.041 N/A ALA 231.B N GLY 244.B O no hydrogen 3.242 N/A CYS 233.B SG PHE 234.B O no hydrogen 3.225 N/A PHE 234.B N SER 191.B OG no hydrogen 2.971 N/A PHE 235.B N ALA 240.B O no hydrogen 2.978 N/A GLY 238.B N PHE 235.B O no hydrogen 3.123 N/A THR 243.B OG1 ALA 242.B O no hydrogen 2.818 N/A GLY 244.B N ALA 231.B O no hydrogen 2.854 N/A SER 245.B OG THR 249.B O no hydrogen 3.438 N/A ASP 246.B N ASP 228.B O no hydrogen 2.733 N/A ASP 247.B N SER 245.B OG no hydrogen 3.336 N/A THR 249.B OG1 CYS 250.B O no hydrogen 3.304 N/A THR 249.B OG1 TYR 264.B O no hydrogen 3.103 N/A CYS 250.B N TYR 264.B O no hydrogen 2.992 N/A ARG 251.B N THR 243.B O no hydrogen 3.181 N/A ARG 251.B NE HIS 225.B ND1 no hydrogen 3.323 N/A ARG 251.B NH1 GLU 260.B OE1 no hydrogen 2.458 N/A PHE 253.B N PHE 241.B O no hydrogen 2.947 N/A LEU 255.B N ASN 239.B O no hydrogen 3.174 N/A ALA 257.B N ASP 254.B OD1 no hydrogen 2.719 N/A ASP 258.B N ASP 254.B O no hydrogen 3.151 N/A GLN 259.B NE2 GLU 260.B O no hydrogen 3.646 N/A LEU 261.B N LEU 252.B O no hydrogen 2.913 N/A TYR 264.B N CYS 250.B O no hydrogen 2.648 N/A TYR 264.B OH ALA 299.B O no hydrogen 2.969 N/A SER 265.B OG HIS 266.B O no hydrogen 3.144 N/A THR 274.B N GLY 288.B O no hydrogen 2.767 N/A THR 274.B OG1 GLY 288.B O no hydrogen 3.407 N/A THR 274.B OG1 VAL 315.B O no hydrogen 2.428 N/A SER 275.B N GLY 288.B O no hydrogen 3.289 N/A SER 275.B OG THR 274.B O no hydrogen 2.809 N/A SER 275.B OG SER 316.B O no hydrogen 2.369 N/A SER 277.B N LEU 286.B O no hydrogen 2.904 N/A SER 277.B OG LEU 318.B O no hydrogen 3.083 N/A SER 281.B N SER 279.B OG no hydrogen 3.174 N/A GLY 282.B N SER 279.B OG no hydrogen 3.118 N/A ARG 283.B NE ASP 298.B OD1 no hydrogen 2.862 N/A ARG 283.B NH2 ASP 38.B O no hydrogen 3.252 N/A ARG 283.B NH2 ASP 298.B OD2 no hydrogen 3.328 N/A LEU 285.B N TRP 297.B O no hydrogen 2.691 N/A LEU 286.B N SER 277.B O no hydrogen 3.030 N/A GLY 288.B N SER 275.B O no hydrogen 2.503 N/A TYR 289.B N ASN 293.B O no hydrogen 3.132 N/A CYS 294.B SG LEU 308.B O no hydrogen 3.864 N/A VAL 296.B N GLY 306.B O no hydrogen 2.782 N/A TRP 297.B N LEU 285.B O no hydrogen 2.912 N/A TRP 297.B NE1 TYR 289.B OH no hydrogen 2.462 N/A ASP 298.B N ASP 303.B O no hydrogen 3.376 N/A ALA 299.B N ARG 283.B O no hydrogen 2.906 N/A LYS 301.B NZ ILE 37.B O no hydrogen 3.250 N/A ALA 302.B N ASP 298.B O no hydrogen 2.864 N/A ALA 305.B N VAL 296.B O no hydrogen 3.038 N/A LEU 308.B N CYS 294.B O no hydrogen 3.103 N/A HIS 311.B NE2 THR 329.B OG1 no hydrogen 2.779 N/A ASN 313.B ND2 TRP 332.B O no hydrogen 3.450 N/A ARG 314.B N ASN 313.B OD1 no hydrogen 2.831 N/A SER 316.B N GLY 330.B O no hydrogen 3.174 N/A SER 316.B OG ILE 58.B O no hydrogen 2.888 N/A CYS 317.B SG MET 61.B O no hydrogen 3.260 N/A GLY 319.B N ALA 328.B O no hydrogen 2.841 N/A THR 321.B N ALA 326.B O no hydrogen 3.438 N/A THR 321.B OG1 ASP 323.B OD1 no hydrogen 2.651 N/A GLY 324.B N THR 321.B O no hydrogen 3.257 N/A MET 325.B N THR 321.B OG1 no hydrogen 3.069 N/A VAL 327.B N TRP 339.B O no hydrogen 3.099 N/A ALA 328.B N GLY 319.B O no hydrogen 2.974 N/A THR 329.B N LYS 337.B O no hydrogen 3.263 N/A THR 329.B OG1 HIS 311.B NE2 no hydrogen 2.779 N/A THR 329.B OG1 THR 329.B O no hydrogen 2.384 N/A SER 331.B OG HIS 311.B ND1 no hydrogen 2.560 N/A SER 331.B OG ASP 333.B OD1 no hydrogen 2.246 N/A SER 331.B OG PHE 335.B O no hydrogen 3.378 N/A TRP 332.B N ARG 314.B O no hydrogen 2.930 N/A SER 334.B OG ASP 333.B O no hydrogen 2.536 N/A PHE 335.B N ASP 333.B OD1 no hydrogen 3.380 N/A LYS 337.B NZ GLY 310.B O no hydrogen 3.550 N/A ILE 338.B N ARG 49.B O no hydrogen 3.408 N/A TRP 339.B N VAL 327.B O no hydrogen 2.586 N/A TRP 339.B NE1 THR 329.B OG1 no hydrogen 3.102 N/A