Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w8a_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLU 1.A O no hydrogen 3.199 N/A ARG 6.A N LEU 2.A O no hydrogen 2.897 N/A GLN 7.A N ASP 3.A O no hydrogen 2.903 N/A GLN 7.A NE2 GLU 10.A OE1 no hydrogen 3.112 N/A GLU 8.A N GLN 4.A O no hydrogen 2.897 N/A ALA 9.A N LEU 5.A O no hydrogen 2.909 N/A GLU 10.A N ARG 6.A O no hydrogen 2.876 N/A GLN 11.A N GLN 7.A O no hydrogen 2.917 N/A GLN 11.A NE2 GLU 8.A O no hydrogen 2.968 N/A LEU 12.A N GLU 8.A O no hydrogen 2.936 N/A LYS 13.A N ALA 9.A O no hydrogen 2.892 N/A ASN 14.A N GLU 10.A O no hydrogen 2.901 N/A ASN 14.A ND2 GLU 10.A OE2 no hydrogen 3.014 N/A GLN 15.A N GLN 11.A O no hydrogen 2.891 N/A ILE 16.A N LEU 12.A O no hydrogen 2.922 N/A ARG 17.A N LYS 13.A O no hydrogen 2.895 N/A ARG 17.A NH1 ASN 14.A OD1 no hydrogen 3.122 N/A ARG 17.A NH2 ASN 14.A OD1 no hydrogen 2.969 N/A ASP 18.A N ASN 14.A O no hydrogen 2.892 N/A ALA 19.A N GLN 15.A O no hydrogen 2.907 N/A ARG 20.A N ILE 16.A O no hydrogen 2.907 N/A LYS 21.A N ARG 17.A O no hydrogen 2.880 N/A ALA 22.A N ASP 18.A O no hydrogen 2.900 N/A CYS 23.A N ALA 19.A O no hydrogen 2.913 N/A CYS 23.A SG ALA 19.A O no hydrogen 3.239 N/A ALA 24.A N LYS 21.A O no hydrogen 3.125 N/A ASP 25.A N CYS 23.A O no hydrogen 2.743 N/A GLN 30.A N THR 27.A OG1 no hydrogen 3.225 N/A ILE 31.A N THR 27.A O no hydrogen 2.951 N/A THR 32.A N LEU 28.A O no hydrogen 2.885 N/A THR 32.A OG1 LEU 28.A O no hydrogen 2.568 N/A THR 32.A OG1 SER 29.A O no hydrogen 3.529 N/A THR 32.A OG1 LEU 298.A O no hydrogen 3.085 N/A ASN 33.A N GLN 30.A O no hydrogen 3.268 N/A ILE 35.A N THR 32.A O no hydrogen 3.195 N/A ARG 40.A NE GLN 42.A OE1 no hydrogen 3.279 N/A ILE 41.A N ALA 303.A O no hydrogen 2.769 N/A ARG 46.A N ILE 336.A O no hydrogen 2.608 N/A ARG 46.A NH1 ARG 44.A O no hydrogen 3.455 N/A ARG 47.A NE SER 82.A O no hydrogen 2.908 N/A LEU 49.A N LEU 334.A O no hydrogen 2.783 N/A HIS 52.A ND1 ASP 74.A OD2 no hydrogen 3.218 N/A HIS 52.A NE2 SER 70.A OG no hydrogen 2.435 N/A LEU 53.A N ASP 74.A OD2 no hydrogen 3.398 N/A TYR 57.A N ALA 71.A O no hydrogen 3.183 N/A HIS 60.A N VAL 69.A O no hydrogen 2.944 N/A THR 63.A OG1 PRO 105.A O no hydrogen 3.322 N/A SER 65.A N GLY 62.A O no hydrogen 3.011 N/A SER 65.A OG THR 63.A O no hydrogen 3.518 N/A SER 65.A OG ASP 321.A OD1 no hydrogen 3.081 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 3.375 N/A ARG 66.A NE ASP 81.A OD1 no hydrogen 2.625 N/A ARG 66.A NE ASP 81.A OD2 no hydrogen 3.525 N/A ARG 66.A NH2 ASP 81.A OD2 no hydrogen 3.140 N/A LEU 68.A N TRP 80.A O no hydrogen 3.152 N/A VAL 69.A N HIS 60.A O no hydrogen 3.069 N/A SER 70.A N ILE 78.A O no hydrogen 2.873 N/A SER 70.A OG HIS 52.A NE2 no hydrogen 2.435 N/A ALA 71.A N ALA 58.A O no hydrogen 2.954 N/A SER 72.A OG LYS 55.A O no hydrogen 2.417 N/A GLN 73.A N LYS 55.A O no hydrogen 3.006 N/A LYS 76.A N ASP 74.A OD1 no hydrogen 3.106 N/A LEU 77.A N ILE 91.A O no hydrogen 2.649 N/A ILE 78.A N SER 70.A O no hydrogen 3.156 N/A ILE 79.A N HIS 89.A O no hydrogen 3.131 N/A TRP 80.A N LEU 68.A O no hydrogen 2.677 N/A TRP 80.A NE1 SER 70.A OG no hydrogen 2.973 N/A ASP 81.A N ASN 86.A O no hydrogen 2.682 N/A SER 82.A N ARG 66.A O no hydrogen 3.046 N/A SER 82.A OG ARG 66.A O no hydrogen 2.303 N/A THR 84.A N ASP 81.A O no hydrogen 3.122 N/A THR 84.A OG1 ASP 81.A OD2 no hydrogen 2.662 N/A THR 84.A OG1 ASN 86.A OD1 no hydrogen 2.673 N/A THR 85.A N ASP 81.A O no hydrogen 2.566 N/A LYS 87.A NZ ARG 50.A O no hydrogen 2.912 N/A VAL 88.A N ILE 79.A O no hydrogen 2.850 N/A HIS 89.A N ILE 79.A O no hydrogen 3.265 N/A ILE 91.A N LEU 77.A O no hydrogen 2.971 N/A LEU 93.A N GLY 75.A O no hydrogen 2.520 N/A MET 99.A N GLY 113.A O no hydrogen 2.680 N/A THR 100.A N GLY 113.A O no hydrogen 3.084 N/A CYS 101.A SG VAL 69.A O no hydrogen 3.750 N/A ALA 102.A N ALA 111.A O no hydrogen 2.881 N/A TYR 103.A N HIS 60.A ND1 no hydrogen 3.000 N/A ALA 104.A N TYR 109.A O no hydrogen 2.865 N/A SER 106.A OG ASP 152.A OD1 no hydrogen 2.351 N/A SER 106.A OG ASP 152.A OD2 no hydrogen 3.237 N/A GLY 107.A N ALA 104.A O no hydrogen 2.851 N/A ASN 108.A ND2 ASP 152.A OD2 no hydrogen 3.384 N/A VAL 110.A N TYR 122.A O no hydrogen 2.973 N/A ALA 111.A N ALA 102.A O no hydrogen 2.957 N/A CYS 112.A N SER 120.A O no hydrogen 3.069 N/A GLY 113.A N THR 100.A O no hydrogen 3.210 N/A LEU 115.A N TRP 97.A O no hydrogen 2.938 N/A ASN 117.A N GLY 114.A O no hydrogen 3.232 N/A CYS 119.A N LEU 137.A O no hydrogen 3.075 N/A CYS 119.A SG CYS 112.A O no hydrogen 3.840 N/A SER 120.A N CYS 112.A O no hydrogen 2.860 N/A ILE 121.A N ARG 135.A O no hydrogen 2.872 N/A TYR 122.A N VAL 110.A O no hydrogen 2.680 N/A ASN 123.A N ARG 132.A O no hydrogen 3.316 N/A LEU 124.A N ASN 108.A O no hydrogen 2.795 N/A THR 126.A OG1 ASN 130.A O no hydrogen 2.292 N/A GLY 129.A N THR 126.A O no hydrogen 3.054 N/A ARG 132.A NE GLU 128.A OE2 no hydrogen 2.690 N/A ARG 132.A NH2 GLU 128.A OE2 no hydrogen 2.665 N/A SER 134.A N ILE 121.A O no hydrogen 2.573 N/A LEU 137.A N CYS 119.A O no hydrogen 2.618 N/A HIS 140.A NE2 THR 157.A OG1 no hydrogen 2.808 N/A THR 141.A OG1 ASP 161.A OD2 no hydrogen 3.441 N/A TYR 143.A OH ASP 184.A OD2 no hydrogen 3.363 N/A LEU 144.A N GLY 114.A O no hydrogen 3.031 N/A SER 145.A N SER 158.A O no hydrogen 3.051 N/A SER 145.A OG SER 158.A OG no hydrogen 2.984 N/A SER 145.A OG VAL 185.A O no hydrogen 2.338 N/A SER 145.A OG MET 186.A O no hydrogen 3.299 N/A CYS 146.A N SER 158.A O no hydrogen 3.512 N/A CYS 146.A SG LEU 188.A O no hydrogen 3.594 N/A ARG 148.A N VAL 156.A O no hydrogen 2.783 N/A ARG 148.A NH1 CYS 101.A O no hydrogen 3.401 N/A ARG 148.A NH1 CYS 147.A O no hydrogen 2.809 N/A LEU 150.A N GLN 154.A O no hydrogen 2.936 N/A ASP 151.A N GLN 154.A O no hydrogen 3.267 N/A ASN 153.A N ASP 151.A OD1 no hydrogen 3.045 N/A GLN 154.A N ASP 151.A OD1 no hydrogen 2.546 N/A ILE 155.A N TRP 167.A O no hydrogen 3.452 N/A VAL 156.A N ARG 148.A O no hydrogen 2.813 N/A THR 157.A N ALA 165.A O no hydrogen 2.878 N/A THR 157.A OG1 HIS 140.A NE2 no hydrogen 2.808 N/A SER 158.A N CYS 146.A O no hydrogen 2.667 N/A SER 158.A OG SER 145.A OG no hydrogen 2.984 N/A SER 158.A OG CYS 146.A O no hydrogen 3.516 N/A SER 159.A OG TYR 143.A O no hydrogen 2.715 N/A GLY 160.A N TYR 143.A O no hydrogen 2.472 N/A THR 162.A OG1 ASP 161.A O no hydrogen 2.423 N/A THR 163.A N ASP 161.A OD1 no hydrogen 3.339 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 2.807 N/A THR 163.A OG1 ASP 161.A OD2 no hydrogen 2.811 N/A CYS 164.A N PHE 178.A O no hydrogen 3.115 N/A ALA 165.A N THR 157.A O no hydrogen 2.812 N/A LEU 166.A N THR 176.A O no hydrogen 2.802 N/A TRP 167.A N ILE 155.A O no hydrogen 2.833 N/A TRP 167.A NE1 THR 157.A OG1 no hydrogen 2.764 N/A ASP 168.A N GLN 173.A O no hydrogen 3.033 N/A ILE 169.A N ASN 153.A O no hydrogen 2.685 N/A GLU 170.A N ASN 153.A OD1 no hydrogen 2.908 N/A THR 171.A OG1 ASP 168.A OD2 no hydrogen 2.740 N/A GLY 172.A N ASP 168.A O no hydrogen 2.500 N/A THR 176.A N LEU 166.A O no hydrogen 3.232 N/A THR 177.A OG1 GLN 174.A OE1 no hydrogen 2.859 N/A PHE 178.A N CYS 164.A O no hydrogen 2.701 N/A HIS 181.A NE2 SER 199.A OG no hydrogen 2.938 N/A THR 182.A N ASP 203.A OD2 no hydrogen 2.944 N/A THR 182.A OG1 ASP 203.A OD2 no hydrogen 2.996 N/A VAL 185.A N SER 159.A O no hydrogen 3.268 N/A MET 186.A N GLY 200.A O no hydrogen 2.651 N/A SER 187.A N GLY 200.A O no hydrogen 3.333 N/A SER 189.A N VAL 198.A O no hydrogen 3.062 N/A SER 189.A OG LEU 190.A O no hydrogen 3.504 N/A ALA 191.A N LEU 196.A O no hydrogen 2.903 N/A THR 194.A N ALA 191.A O no hydrogen 2.897 N/A THR 194.A OG1 ASP 193.A O no hydrogen 2.433 N/A ARG 195.A N ASP 193.A OD1 no hydrogen 2.865 N/A PHE 197.A N TRP 209.A O no hydrogen 3.410 N/A VAL 198.A N SER 189.A O no hydrogen 3.217 N/A SER 199.A N LYS 207.A O no hydrogen 3.240 N/A SER 199.A OG HIS 181.A NE2 no hydrogen 2.938 N/A GLY 200.A N SER 187.A O no hydrogen 2.868 N/A ALA 201.A N SER 205.A O no hydrogen 3.492 N/A CYS 202.A SG ASP 184.A O no hydrogen 3.558 N/A SER 205.A N ASP 203.A OD1 no hydrogen 3.256 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 2.607 N/A ALA 206.A N PHE 220.A O no hydrogen 2.856 N/A LYS 207.A N SER 199.A O no hydrogen 3.322 N/A LYS 207.A NZ THR 219.A OG1 no hydrogen 3.056 N/A LEU 208.A N GLN 218.A O no hydrogen 2.869 N/A TRP 209.A N PHE 197.A O no hydrogen 2.921 N/A TRP 209.A NE1 SER 199.A OG no hydrogen 2.725 N/A ASP 210.A N MET 215.A O no hydrogen 3.077 N/A VAL 211.A N ARG 195.A O no hydrogen 3.321 N/A GLY 214.A N ASP 210.A O no hydrogen 2.757 N/A CYS 216.A SG LEU 208.A O no hydrogen 3.873 N/A CYS 216.A SG GLN 218.A O no hydrogen 3.273 N/A CYS 216.A SG THR 219.A OG1 no hydrogen 3.547 N/A ARG 217.A N LEU 208.A O no hydrogen 2.605 N/A ARG 217.A NH1 ASP 210.A OD2 no hydrogen 3.253 N/A GLN 218.A NE2 LEU 253.A O no hydrogen 3.193 N/A PHE 220.A N ALA 206.A O no hydrogen 2.720 N/A HIS 223.A NE2 THR 241.A OG1 no hydrogen 2.499 N/A GLU 224.A N ASP 245.A OD2 no hydrogen 3.299 N/A ILE 227.A N ALA 201.A O no hydrogen 3.025 N/A ASN 228.A N GLY 242.A O no hydrogen 2.637 N/A ASN 228.A ND2 ASP 244.A OD1 no hydrogen 2.857 N/A ASN 228.A ND2 ILE 271.A O no hydrogen 2.914 N/A ALA 229.A N GLY 242.A O no hydrogen 3.193 N/A CYS 231.A N ALA 240.A O no hydrogen 3.093 N/A CYS 231.A SG PHE 232.A O no hydrogen 3.521 N/A PHE 232.A N SER 189.A OG no hydrogen 3.192 N/A PHE 233.A N ALA 238.A O no hydrogen 2.575 N/A GLY 236.A N PHE 233.A O no hydrogen 2.757 N/A PHE 239.A N PHE 251.A O no hydrogen 2.980 N/A ALA 240.A N CYS 231.A O no hydrogen 2.993 N/A THR 241.A N ARG 249.A O no hydrogen 2.985 N/A THR 241.A OG1 HIS 223.A NE2 no hydrogen 2.499 N/A THR 241.A OG1 ARG 249.A O no hydrogen 3.479 N/A GLY 242.A N ALA 229.A O no hydrogen 3.072 N/A SER 243.A N THR 247.A O no hydrogen 3.369 N/A SER 243.A OG SER 225.A O no hydrogen 2.818 N/A SER 243.A OG ASP 226.A O no hydrogen 2.524 N/A ASP 244.A N ASP 226.A O no hydrogen 2.898 N/A THR 247.A OG1 ASP 245.A O no hydrogen 3.238 N/A THR 247.A OG1 SER 263.A OG no hydrogen 2.850 N/A CYS 248.A N TYR 262.A O no hydrogen 2.980 N/A ARG 249.A N THR 241.A O no hydrogen 3.159 N/A ARG 249.A NH1 HIS 223.A ND1 no hydrogen 3.062 N/A ARG 249.A NH1 ASP 245.A OD2 no hydrogen 3.094 N/A LEU 250.A N MET 260.A O no hydrogen 3.092 N/A PHE 251.A N PHE 239.A O no hydrogen 2.772 N/A ASP 252.A N GLN 257.A O no hydrogen 3.307 N/A LEU 253.A N ASN 237.A O no hydrogen 3.009 N/A ALA 255.A N ASP 252.A OD1 no hydrogen 2.943 N/A ASP 256.A N ASP 252.A O no hydrogen 2.956 N/A GLN 257.A NE2 ARG 20.A O no hydrogen 2.840 N/A LEU 259.A N LEU 250.A O no hydrogen 2.766 N/A THR 261.A OG1 GLU 258.A OE2 no hydrogen 2.328 N/A TYR 262.A N CYS 248.A O no hydrogen 2.644 N/A TYR 262.A OH ALA 297.A O no hydrogen 2.361 N/A SER 263.A OG ALA 246.A O no hydrogen 2.951 N/A SER 263.A OG THR 247.A OG1 no hydrogen 2.850 N/A ILE 271.A N SER 243.A O no hydrogen 3.151 N/A THR 272.A N GLY 286.A O no hydrogen 2.615 N/A THR 272.A OG1 GLY 286.A O no hydrogen 2.999 N/A THR 272.A OG1 VAL 313.A O no hydrogen 2.400 N/A SER 273.A N GLY 286.A O no hydrogen 3.389 N/A SER 275.A N LEU 284.A O no hydrogen 2.825 N/A SER 275.A OG VAL 274.A O no hydrogen 2.643 N/A SER 275.A OG LEU 316.A O no hydrogen 3.114 N/A SER 277.A N LEU 282.A O no hydrogen 2.935 N/A GLY 280.A N SER 277.A O no hydrogen 3.166 N/A ARG 281.A NE ASP 296.A OD1 no hydrogen 2.640 N/A ARG 281.A NH2 ASP 36.A O no hydrogen 3.123 N/A ARG 281.A NH2 ASP 296.A OD2 no hydrogen 3.267 N/A LEU 282.A N SER 277.A OG no hydrogen 3.323 N/A LEU 283.A N TRP 295.A O no hydrogen 3.312 N/A LEU 284.A N SER 275.A O no hydrogen 2.731 N/A ALA 285.A N ASN 293.A O no hydrogen 3.069 N/A GLY 286.A N SER 273.A O no hydrogen 2.709 N/A TYR 287.A N ASN 291.A O no hydrogen 3.321 N/A ASP 288.A N GLY 270.A O no hydrogen 2.850 N/A CYS 292.A N LEU 306.A O no hydrogen 3.253 N/A CYS 292.A SG LEU 306.A O no hydrogen 3.971 N/A ASN 293.A N ALA 285.A O no hydrogen 3.023 N/A VAL 294.A N GLY 304.A O no hydrogen 2.939 N/A TRP 295.A N LEU 283.A O no hydrogen 2.669 N/A TRP 295.A NE1 TYR 287.A OH no hydrogen 2.589 N/A ALA 297.A N ARG 281.A O no hydrogen 2.759 N/A LEU 298.A N ASP 296.A OD1 no hydrogen 3.506 N/A LYS 299.A NZ THR 32.A O no hydrogen 3.166 N/A LYS 299.A NZ ILE 35.A O no hydrogen 3.307 N/A ALA 300.A N ASP 296.A O no hydrogen 2.918 N/A ALA 303.A N VAL 294.A O no hydrogen 2.957 N/A LEU 306.A N CYS 292.A O no hydrogen 2.866 N/A HIS 309.A NE2 THR 327.A OG1 no hydrogen 2.494 N/A ASP 310.A N ASP 331.A OD2 no hydrogen 2.463 N/A ARG 312.A N ASN 311.A OD1 no hydrogen 2.860 N/A SER 314.A N GLY 328.A O no hydrogen 3.088 N/A SER 314.A OG ILE 56.A O no hydrogen 2.320 N/A CYS 315.A N GLY 328.A O no hydrogen 3.424 N/A GLY 317.A N ALA 326.A O no hydrogen 2.956 N/A THR 319.A N ALA 324.A O no hydrogen 3.077 N/A THR 319.A OG1 ASP 321.A OD1 no hydrogen 2.561 N/A GLY 322.A N THR 319.A O no hydrogen 2.841 N/A MET 323.A N ASP 321.A OD1 no hydrogen 3.430 N/A ALA 324.A N THR 319.A OG1 no hydrogen 3.350 N/A VAL 325.A N TRP 337.A O no hydrogen 2.980 N/A ALA 326.A N GLY 317.A O no hydrogen 2.885 N/A THR 327.A N LYS 335.A O no hydrogen 3.035 N/A THR 327.A OG1 HIS 309.A NE2 no hydrogen 2.494 N/A GLY 328.A N CYS 315.A O no hydrogen 3.193 N/A SER 329.A OG HIS 309.A ND1 no hydrogen 2.430 N/A SER 329.A OG ASP 331.A OD1 no hydrogen 2.561 N/A SER 329.A OG ASP 331.A OD2 no hydrogen 2.977 N/A TRP 330.A N ARG 312.A O no hydrogen 2.812 N/A SER 332.A N SER 329.A O no hydrogen 3.422 N/A SER 332.A OG ALA 54.A O no hydrogen 2.524 N/A LEU 334.A N LEU 49.A O no hydrogen 3.518 N/A LYS 335.A N THR 327.A O no hydrogen 3.053 N/A LYS 335.A NZ GLY 308.A O no hydrogen 2.940 N/A ILE 336.A N ARG 47.A O no hydrogen 2.904 N/A TRP 337.A N VAL 325.A O no hydrogen 2.672 N/A TRP 337.A NE1 THR 327.A OG1 no hydrogen 3.151 N/A