Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wi9_B.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.B N ASP 5.B OD1 no hydrogen 3.159 N/A GLN 6.B N GLU 3.B O no hydrogen 3.007 N/A GLN 6.B N ASP 5.B OD1 no hydrogen 2.865 N/A GLN 6.B NE2 GLN 6.B O no hydrogen 2.814 N/A LEU 7.B N GLU 3.B O no hydrogen 2.573 N/A ARG 8.B N LEU 4.B O no hydrogen 2.983 N/A ARG 8.B NE LEU 4.B O no hydrogen 3.033 N/A GLU 10.B N GLN 6.B O no hydrogen 2.888 N/A ALA 11.B N LEU 7.B O no hydrogen 2.816 N/A GLU 12.B N ARG 8.B O no hydrogen 2.992 N/A GLN 13.B N GLN 9.B O no hydrogen 2.791 N/A LEU 14.B N GLU 10.B O no hydrogen 2.909 N/A LYS 15.B N ALA 11.B O no hydrogen 3.268 N/A ASN 16.B N GLU 12.B O no hydrogen 3.151 N/A GLN 17.B N GLN 13.B O no hydrogen 3.319 N/A ILE 18.B N LEU 14.B O no hydrogen 3.084 N/A ARG 19.B N LYS 15.B O no hydrogen 2.882 N/A ASP 20.B N ASN 16.B O no hydrogen 2.957 N/A ALA 21.B N GLN 17.B O no hydrogen 3.158 N/A ARG 22.B N ILE 18.B O no hydrogen 2.954 N/A ARG 22.B NE ASP 258.B O no hydrogen 3.138 N/A ARG 22.B NH2 ASP 258.B OD1 no hydrogen 2.993 N/A LYS 23.B N ARG 19.B O no hydrogen 2.843 N/A ALA 24.B N ASP 20.B O no hydrogen 2.986 N/A CYS 25.B SG ALA 21.B O no hydrogen 3.180 N/A ALA 26.B N LYS 23.B O no hydrogen 3.148 N/A THR 29.B OG1 SER 31.B OG no hydrogen 3.076 N/A SER 31.B OG THR 29.B OG1 no hydrogen 3.076 N/A GLN 32.B NE2 THR 29.B OG1 no hydrogen 2.982 N/A THR 34.B N LEU 30.B O no hydrogen 3.053 N/A THR 34.B OG1 LEU 30.B O no hydrogen 2.760 N/A THR 34.B OG1 SER 31.B O no hydrogen 2.910 N/A ASN 35.B N SER 31.B O no hydrogen 3.178 N/A ASN 35.B ND2 SER 31.B O no hydrogen 2.596 N/A ASP 38.B N ASP 38.B OD1 no hydrogen 2.548 N/A ARG 46.B N ASN 340.B O no hydrogen 3.242 N/A ARG 48.B NE ASN 340.B O no hydrogen 2.644 N/A ARG 48.B NH2 ASN 340.B O no hydrogen 3.542 N/A LEU 51.B N LEU 336.B O no hydrogen 3.226 N/A TYR 59.B N ALA 73.B O no hydrogen 3.246 N/A HIS 62.B N VAL 71.B O no hydrogen 3.126 N/A HIS 62.B ND1 TRP 63.B O no hydrogen 3.263 N/A GLY 64.B N LEU 69.B O no hydrogen 2.799 N/A THR 65.B OG1 ASP 66.B OD1 no hydrogen 2.948 N/A SER 67.B OG ASP 322.B OD2 no hydrogen 3.103 N/A ARG 68.B NH1 ARG 68.B O no hydrogen 2.912 N/A LEU 70.B N TRP 82.B O no hydrogen 3.200 N/A VAL 71.B N HIS 62.B O no hydrogen 3.109 N/A SER 72.B N ILE 80.B O no hydrogen 3.085 N/A ALA 73.B N ALA 60.B O no hydrogen 3.209 N/A SER 74.B N LYS 78.B O no hydrogen 3.059 N/A GLN 75.B N LYS 57.B O no hydrogen 2.878 N/A LYS 78.B N ASP 76.B OD1 no hydrogen 3.097 N/A LEU 79.B N ILE 93.B O no hydrogen 3.170 N/A ILE 80.B N SER 72.B O no hydrogen 3.229 N/A ILE 81.B N HIS 91.B O no hydrogen 3.159 N/A TRP 82.B N LEU 70.B O no hydrogen 2.852 N/A TRP 82.B NE1 SER 72.B OG no hydrogen 2.732 N/A ASP 83.B N ASN 88.B O no hydrogen 3.050 N/A SER 84.B N ARG 68.B O no hydrogen 3.240 N/A SER 84.B OG SER 67.B O no hydrogen 3.167 N/A SER 84.B OG ARG 68.B O no hydrogen 2.851 N/A THR 86.B OG1 ASN 88.B OD1 no hydrogen 2.587 N/A THR 87.B N ASP 83.B O no hydrogen 2.884 N/A LYS 89.B NZ ARG 52.B O no hydrogen 3.293 N/A VAL 90.B N ILE 81.B O no hydrogen 2.846 N/A SER 97.B OG SER 98.B O no hydrogen 3.166 N/A SER 97.B OG ASP 118.B OD1 no hydrogen 3.116 N/A SER 98.B OG ASP 76.B O no hydrogen 2.236 N/A TRP 99.B N GLN 75.B O no hydrogen 3.025 N/A MET 101.B N GLY 115.B O no hydrogen 3.046 N/A THR 102.B N GLY 115.B O no hydrogen 3.203 N/A ALA 104.B N ALA 113.B O no hydrogen 3.051 N/A ALA 106.B N TYR 111.B O no hydrogen 3.388 N/A SER 108.B OG ASN 110.B OD1 no hydrogen 2.709 N/A GLY 109.B N ALA 106.B O no hydrogen 3.185 N/A VAL 112.B N TYR 124.B O no hydrogen 2.997 N/A ALA 113.B N ALA 104.B O no hydrogen 3.062 N/A CYS 114.B N SER 122.B O no hydrogen 3.152 N/A GLY 115.B N THR 102.B O no hydrogen 3.411 N/A ASN 119.B N GLY 116.B O no hydrogen 3.461 N/A CYS 121.B N LEU 139.B O no hydrogen 3.456 N/A SER 122.B N CYS 114.B O no hydrogen 3.195 N/A ILE 123.B N ARG 137.B O no hydrogen 3.009 N/A TYR 124.B N VAL 112.B O no hydrogen 2.821 N/A ASN 125.B N SER 136.B OG no hydrogen 2.997 N/A LEU 126.B N ASN 110.B O no hydrogen 2.842 N/A LYS 127.B N ASN 125.B OD1 no hydrogen 2.864 N/A ARG 134.B NE VAL 135.B O no hydrogen 3.244 N/A SER 136.B N ILE 123.B O no hydrogen 3.149 N/A ARG 137.B NH1 GLU 172.B O no hydrogen 3.527 N/A ARG 137.B NH2 GLU 172.B O no hydrogen 3.430 N/A LEU 139.B N CYS 121.B O no hydrogen 2.454 N/A HIS 142.B ND1 ASP 163.B OD2 no hydrogen 2.750 N/A TYR 145.B OH ASP 186.B OD2 no hydrogen 3.202 N/A LEU 146.B N GLY 116.B O no hydrogen 3.289 N/A SER 147.B N SER 160.B O no hydrogen 2.409 N/A SER 147.B OG SER 160.B O no hydrogen 3.194 N/A SER 147.B OG SER 160.B OG no hydrogen 2.352 N/A SER 147.B OG VAL 187.B O no hydrogen 3.409 N/A SER 147.B OG MET 188.B O no hydrogen 2.742 N/A CYS 148.B N SER 160.B O no hydrogen 3.033 N/A CYS 148.B SG LEU 190.B O no hydrogen 3.445 N/A ARG 150.B N VAL 158.B O no hydrogen 3.161 N/A ARG 150.B NH1 CYS 149.B O no hydrogen 3.301 N/A LEU 152.B N GLN 156.B O no hydrogen 3.376 N/A ILE 157.B N TRP 169.B O no hydrogen 3.254 N/A VAL 158.B N ARG 150.B O no hydrogen 3.151 N/A THR 159.B N ALA 167.B O no hydrogen 3.274 N/A THR 159.B OG1 HIS 142.B NE2 no hydrogen 3.231 N/A SER 160.B N CYS 148.B O no hydrogen 2.450 N/A SER 160.B OG SER 147.B OG no hydrogen 2.352 N/A SER 161.B OG ASP 163.B OD1 no hydrogen 2.365 N/A GLY 162.B N TYR 145.B O no hydrogen 2.479 N/A THR 165.B N ASP 163.B OD1 no hydrogen 3.452 N/A THR 165.B OG1 ASP 163.B O no hydrogen 3.358 N/A THR 165.B OG1 ASP 163.B OD2 no hydrogen 2.722 N/A CYS 166.B SG SER 201.B OG no hydrogen 3.742 N/A LEU 168.B N THR 178.B O no hydrogen 2.654 N/A TRP 169.B N ILE 157.B O no hydrogen 2.965 N/A TRP 169.B NE1 THR 159.B OG1 no hydrogen 3.129 N/A ILE 171.B N ASN 155.B O no hydrogen 2.835 N/A GLU 172.B N GLU 172.B OE1 no hydrogen 2.607 N/A GLY 174.B N ASP 170.B O no hydrogen 2.671 N/A GLN 175.B N ASP 170.B OD1 no hydrogen 3.283 N/A GLN 176.B N GLN 176.B OE1 no hydrogen 2.667 N/A THR 177.B N LEU 168.B O no hydrogen 3.043 N/A THR 177.B OG1 GLN 175.B O no hydrogen 3.555 N/A THR 179.B OG1 CYS 166.B O no hydrogen 2.816 N/A PHE 180.B N CYS 166.B O no hydrogen 2.873 N/A HIS 183.B NE2 SER 201.B OG no hydrogen 2.910 N/A THR 184.B OG1 ASP 205.B OD2 no hydrogen 2.721 N/A MET 188.B N GLY 202.B O no hydrogen 3.150 N/A SER 189.B OG ASN 230.B O no hydrogen 2.356 N/A SER 191.B N VAL 200.B O no hydrogen 3.024 N/A ALA 193.B N LEU 198.B O no hydrogen 3.062 N/A THR 196.B N ALA 193.B O no hydrogen 3.011 N/A THR 196.B OG1 ASP 195.B O no hydrogen 2.513 N/A ARG 197.B N ASP 195.B OD1 no hydrogen 3.452 N/A VAL 200.B N SER 191.B O no hydrogen 3.303 N/A GLY 202.B N SER 189.B O no hydrogen 3.169 N/A CYS 204.B SG ASP 186.B O no hydrogen 3.741 N/A CYS 204.B SG ASP 186.B OD1 no hydrogen 3.505 N/A CYS 204.B SG ASP 228.B OD1 no hydrogen 3.331 N/A SER 207.B OG SER 207.B O no hydrogen 2.373 N/A LYS 209.B N SER 201.B O no hydrogen 3.335 N/A LYS 209.B NZ GLY 182.B O no hydrogen 2.317 N/A LEU 210.B N GLN 220.B O no hydrogen 2.754 N/A TRP 211.B N PHE 199.B O no hydrogen 3.364 N/A TRP 211.B NE1 SER 201.B OG no hydrogen 3.245 N/A ARG 214.B N ASP 212.B OD1 no hydrogen 3.064 N/A ARG 214.B NH1 VAL 213.B O no hydrogen 3.036 N/A MET 217.B N GLU 215.B O no hydrogen 2.935 N/A CYS 218.B SG LEU 210.B O no hydrogen 3.255 N/A CYS 218.B SG GLN 220.B O no hydrogen 3.460 N/A ARG 219.B N LEU 210.B O no hydrogen 2.867 N/A ARG 219.B NH2 ASP 212.B OD2 no hydrogen 2.456 N/A GLN 220.B NE2 LEU 255.B O no hydrogen 3.561 N/A PHE 222.B N ALA 208.B O no hydrogen 2.502 N/A HIS 225.B NE2 THR 243.B OG1 no hydrogen 2.450 N/A ASN 230.B N GLY 244.B O no hydrogen 2.639 N/A ASN 230.B ND2 ILE 273.B O no hydrogen 3.472 N/A ALA 231.B N GLY 244.B O no hydrogen 2.924 N/A CYS 233.B N ALA 242.B O no hydrogen 3.357 N/A CYS 233.B SG VAL 276.B O no hydrogen 3.516 N/A PHE 235.B N ALA 240.B O no hydrogen 2.653 N/A ASN 239.B N ASN 237.B OD1 no hydrogen 2.778 N/A PHE 241.B N PHE 253.B O no hydrogen 2.787 N/A ALA 242.B N CYS 233.B O no hydrogen 2.950 N/A THR 243.B N ARG 251.B O no hydrogen 2.788 N/A THR 243.B OG1 HIS 225.B NE2 no hydrogen 2.450 N/A THR 243.B OG1 ARG 251.B O no hydrogen 3.038 N/A GLY 244.B N ALA 231.B O no hydrogen 2.725 N/A SER 245.B OG HIS 225.B ND1 no hydrogen 2.465 N/A ASP 246.B N ASP 228.B O no hydrogen 3.034 N/A ASP 247.B N SER 245.B OG no hydrogen 3.396 N/A THR 249.B OG1 TYR 264.B O no hydrogen 2.706 N/A CYS 250.B N TYR 264.B O no hydrogen 2.985 N/A ARG 251.B N THR 243.B O no hydrogen 3.365 N/A ARG 251.B NH2 ASP 247.B OD2 no hydrogen 3.192 N/A LEU 252.B N MET 262.B O no hydrogen 3.113 N/A PHE 253.B N PHE 241.B O no hydrogen 2.851 N/A LEU 255.B N ASN 239.B O no hydrogen 2.874 N/A ALA 257.B N ASP 254.B OD2 no hydrogen 2.896 N/A GLN 259.B N ASP 254.B OD1 no hydrogen 3.418 N/A LEU 261.B N LEU 252.B O no hydrogen 2.855 N/A TYR 264.B N CYS 250.B O no hydrogen 2.587 N/A TYR 264.B OH ALA 299.B O no hydrogen 3.153 N/A ASN 268.B N HIS 266.B ND1 no hydrogen 3.049 N/A ILE 273.B N SER 245.B O no hydrogen 3.155 N/A THR 274.B N GLY 288.B O no hydrogen 3.106 N/A THR 274.B OG1 ASP 290.B OD1 no hydrogen 2.447 N/A SER 277.B N LEU 286.B O no hydrogen 2.776 N/A SER 277.B OG PHE 278.B O no hydrogen 3.156 N/A SER 279.B OG LEU 284.B O no hydrogen 2.743 N/A GLY 282.B N SER 279.B OG no hydrogen 3.305 N/A LEU 284.B N SER 279.B OG no hydrogen 3.154 N/A LEU 285.B N TRP 297.B O no hydrogen 2.470 N/A LEU 286.B N SER 277.B O no hydrogen 2.947 N/A ALA 287.B N ASN 295.B O no hydrogen 3.157 N/A GLY 288.B N SER 275.B O no hydrogen 2.969 N/A ASN 293.B ND2 ASP 291.B OD2 no hydrogen 2.780 N/A CYS 294.B N LEU 308.B O no hydrogen 2.584 N/A CYS 294.B SG ALA 287.B O no hydrogen 3.830 N/A ASN 295.B N ALA 287.B O no hydrogen 3.349 N/A VAL 296.B N GLY 306.B O no hydrogen 3.280 N/A TRP 297.B N LEU 285.B O no hydrogen 2.455 N/A TRP 297.B NE1 TYR 289.B OH no hydrogen 2.345 N/A ASP 298.B N ASP 303.B O no hydrogen 3.123 N/A ALA 299.B N ARG 283.B O no hydrogen 2.473 N/A LEU 300.B N ASP 298.B OD1 no hydrogen 3.065 N/A LYS 301.B N ASP 298.B O no hydrogen 2.900 N/A LYS 301.B NZ ASP 38.B O no hydrogen 2.806 N/A ALA 302.B N ASP 298.B O no hydrogen 2.509 N/A LEU 308.B N CYS 294.B O no hydrogen 2.910 N/A ARG 314.B N ASN 313.B OD1 no hydrogen 2.960 N/A SER 316.B N GLY 330.B O no hydrogen 3.227 N/A SER 316.B OG TYR 59.B O no hydrogen 2.670 N/A CYS 317.B SG GLY 330.B O no hydrogen 3.627 N/A THR 321.B N ALA 326.B O no hydrogen 3.157 N/A THR 321.B OG1 ASP 323.B OD1 no hydrogen 3.099 N/A ASP 322.B N SER 67.B OG no hydrogen 2.975 N/A MET 325.B N THR 321.B OG1 no hydrogen 2.424 N/A VAL 327.B N TRP 339.B O no hydrogen 2.818 N/A ALA 328.B N GLY 319.B O no hydrogen 2.838 N/A THR 329.B N LYS 337.B O no hydrogen 3.082 N/A SER 331.B OG HIS 311.B ND1 no hydrogen 2.502 N/A TRP 332.B N ARG 314.B O no hydrogen 3.026 N/A SER 334.B OG ALA 56.B O no hydrogen 2.937 N/A LEU 336.B N LEU 51.B O no hydrogen 3.405 N/A LYS 337.B N THR 329.B O no hydrogen 3.138 N/A LYS 337.B NZ THR 47.B OG1 no hydrogen 2.957 N/A ILE 338.B N ARG 49.B O no hydrogen 3.287 N/A ASN 340.B N ARG 46.B O no hydrogen 3.423 N/A