Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ckq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 8.A OH LEU 22.A O no hydrogen 2.776 N/A LEU 9.A N ARG 5.A O no hydrogen 3.390 N/A TRP 10.A N ARG 6.A O no hydrogen 2.812 N/A CYS 11.A N ALA 7.A O no hydrogen 3.109 N/A CYS 11.A SG ALA 7.A O no hydrogen 3.255 N/A LYS 12.A N TYR 8.A O no hydrogen 2.856 N/A GLU 13.A N LEU 9.A O no hydrogen 3.006 N/A PHE 14.A N TRP 10.A O no hydrogen 3.099 N/A LEU 15.A N CYS 11.A O no hydrogen 3.073 N/A ALA 18.A N GLU 55.A OE2 no hydrogen 2.982 N/A TRP 19.A NE1 PRO 56.A O no hydrogen 2.819 N/A ARG 20.A N GLY 17.A O no hydrogen 2.905 N/A ARG 20.A NH1 LYS 12.A O no hydrogen 2.974 N/A LEU 22.A N TRP 19.A O no hydrogen 3.253 N/A ARG 23.A N GLU 26.A OE2 no hydrogen 2.727 N/A ARG 23.A NE ASP 25.A OD1 no hydrogen 3.094 N/A ARG 23.A NE ASP 25.A OD2 no hydrogen 3.443 N/A GLU 26.A N ARG 23.A O no hydrogen 2.862 N/A SER 30.A N GLN 42.A O no hydrogen 3.256 N/A ILE 32.A N LEU 40.A O no hydrogen 2.810 N/A SER 37.A OG TYR 222.A OH no hydrogen 2.614 N/A MET 39.A N LEU 63.A O no hydrogen 3.218 N/A PHE 41.A N LEU 61.A O no hydrogen 2.905 N/A GLN 42.A N SER 30.A O no hydrogen 2.913 N/A GLN 42.A NE2 SER 44.A OG no hydrogen 3.327 N/A CYS 43.A N VAL 59.A O no hydrogen 2.873 N/A SER 44.A N HIS 28.A O no hydrogen 2.995 N/A LEU 45.A N ARG 57.A O no hydrogen 2.978 N/A VAL 59.A N CYS 43.A O no hydrogen 2.819 N/A LEU 60.A N GLU 96.A O no hydrogen 2.856 N/A LEU 61.A N PHE 41.A O no hydrogen 2.741 N/A ARG 62.A N ARG 94.A O no hydrogen 3.116 N/A ARG 62.A NE GLU 96.A OE1 no hydrogen 2.793 N/A ARG 62.A NH2 GLU 96.A OE1 no hydrogen 3.298 N/A LEU 63.A N MET 39.A O no hydrogen 3.178 N/A TYR 64.A N GLN 92.A O no hydrogen 3.116 N/A SER 71.A N MET 67.A O no hydrogen 3.321 N/A SER 71.A OG MET 67.A O no hydrogen 2.435 N/A SER 71.A OG VAL 68.A O no hydrogen 3.470 N/A VAL 72.A N VAL 68.A O no hydrogen 2.784 N/A MET 73.A N LEU 69.A O no hydrogen 2.969 N/A PHE 74.A N GLU 70.A O no hydrogen 2.999 N/A ALA 75.A N SER 71.A O no hydrogen 3.023 N/A ILE 76.A N VAL 72.A O no hydrogen 2.986 N/A LEU 77.A N MET 73.A O no hydrogen 3.064 N/A ALA 78.A N PHE 74.A O no hydrogen 2.819 N/A GLU 79.A N ALA 75.A O no hydrogen 2.762 N/A ARG 80.A N ILE 76.A O no hydrogen 2.943 N/A ARG 80.A N LEU 77.A O no hydrogen 3.195 N/A SER 81.A N ALA 78.A O no hydrogen 3.245 N/A LEU 82.A N LEU 77.A O no hydrogen 2.829 N/A LYS 85.A N GLN 97.A OE1 no hydrogen 2.837 N/A TYR 87.A N LEU 95.A O no hydrogen 2.711 N/A GLY 88.A N LEU 95.A O no hydrogen 3.018 N/A PHE 90.A N GLY 93.A O no hydrogen 3.094 N/A GLY 93.A N PHE 90.A O no hydrogen 3.382 N/A ARG 94.A N ARG 62.A O no hydrogen 3.052 N/A LEU 95.A N GLY 88.A O no hydrogen 2.909 N/A GLU 96.A N LEU 60.A O no hydrogen 3.093 N/A GLN 97.A N LYS 85.A O no hydrogen 2.863 N/A SER 101.A OG ILE 99.A O no hydrogen 2.870 N/A ARG 102.A N LEU 204.A O no hydrogen 3.180 N/A ARG 102.A NH1 ARG 103.A O no hydrogen 3.262 N/A ARG 102.A NH1 GLU 108.A OE1 no hydrogen 3.081 N/A ARG 102.A NH2 GLU 108.A OE2 no hydrogen 3.052 N/A LEU 104.A N ILE 202.A O no hydrogen 3.099 N/A ASP 105.A N GLU 108.A OE1 no hydrogen 2.998 N/A THR 106.A OG1 GLU 199.A OE1 no hydrogen 2.913 N/A THR 106.A OG1 TYR 241.A O no hydrogen 3.158 N/A GLU 108.A N ASP 105.A O no hydrogen 2.980 N/A LEU 109.A N THR 106.A O no hydrogen 3.174 N/A SER 110.A OG GLU 107.A O no hydrogen 3.069 N/A LEU 111.A N GLU 108.A O no hydrogen 3.245 N/A SER 115.A N LEU 111.A O no hydrogen 2.743 N/A ALA 116.A N PRO 112.A O no hydrogen 2.799 N/A GLU 117.A N ASP 113.A O no hydrogen 3.060 N/A ILE 118.A N ILE 114.A O no hydrogen 2.912 N/A ALA 119.A N SER 115.A O no hydrogen 2.998 N/A GLU 120.A N ALA 116.A O no hydrogen 3.066 N/A LYS 121.A N GLU 117.A O no hydrogen 2.799 N/A LYS 121.A NZ GLU 117.A OE2 no hydrogen 2.706 N/A MET 122.A N ILE 118.A O no hydrogen 2.809 N/A ALA 123.A N ALA 119.A O no hydrogen 2.896 N/A THR 124.A N GLU 120.A O no hydrogen 3.095 N/A THR 124.A OG1 LYS 121.A O no hydrogen 3.412 N/A PHE 125.A N LYS 121.A O no hydrogen 3.113 N/A HIS 126.A N MET 122.A O no hydrogen 2.941 N/A HIS 126.A ND1 TYR 271.A OH no hydrogen 2.637 N/A HIS 126.A NE2 ASP 231.A OD2 no hydrogen 2.773 N/A GLY 127.A N THR 124.A O no hydrogen 3.078 N/A MET 128.A N PHE 125.A O no hydrogen 3.381 N/A MET 130.A N TYR 225.A OH no hydrogen 3.182 N/A PHE 132.A N MET 130.A O no hydrogen 2.729 N/A LYS 134.A NZ MET 130.A O no hydrogen 3.030 N/A LYS 134.A NZ PHE 132.A O no hydrogen 2.829 N/A GLU 135.A N ASN 133.A OD1 no hydrogen 2.956 N/A LYS 137.A N GLU 135.A O no hydrogen 2.776 N/A GLY 141.A N LYS 137.A O no hydrogen 3.010 N/A THR 142.A N TRP 138.A O no hydrogen 2.870 N/A THR 142.A OG1 TRP 138.A O no hydrogen 2.593 N/A MET 143.A N LEU 139.A O no hydrogen 3.295 N/A GLU 144.A N PHE 140.A O no hydrogen 2.895 N/A LYS 145.A N GLY 141.A O no hydrogen 3.021 N/A TYR 146.A N THR 142.A O no hydrogen 2.913 N/A LEU 147.A N MET 143.A O no hydrogen 2.930 N/A LYS 148.A N GLU 144.A O no hydrogen 2.958 N/A VAL 150.A N TYR 146.A O no hydrogen 2.780 N/A LEU 151.A N LEU 147.A O no hydrogen 2.926 N/A ARG 152.A N GLU 149.A O no hydrogen 2.877 N/A ILE 153.A N GLU 149.A O no hydrogen 3.052 N/A ARG 160.A N GLU 157.A O no hydrogen 2.963 N/A ARG 160.A NH2 ALA 317.A O no hydrogen 2.723 N/A ILE 161.A N GLU 157.A O no hydrogen 2.854 N/A LYS 162.A N GLU 158.A O no hydrogen 3.140 N/A LYS 163.A N SER 159.A O no hydrogen 3.230 N/A LEU 164.A N ARG 160.A O no hydrogen 2.977 N/A HIS 165.A N ILE 161.A O no hydrogen 3.034 N/A LYS 166.A N LYS 162.A O no hydrogen 3.046 N/A LEU 167.A N LYS 163.A O no hydrogen 3.244 N/A LEU 168.A N LEU 164.A O no hydrogen 2.938 N/A SER 169.A N HIS 165.A O no hydrogen 2.995 N/A SER 169.A N LYS 166.A O no hydrogen 3.076 N/A SER 169.A OG LYS 166.A O no hydrogen 2.575 N/A TYR 170.A N LEU 167.A O no hydrogen 3.272 N/A ASN 171.A N LEU 168.A O no hydrogen 3.028 N/A GLU 175.A N ASN 171.A O no hydrogen 3.117 N/A LEU 176.A N LEU 172.A O no hydrogen 2.824 N/A GLU 177.A N PRO 173.A O no hydrogen 3.296 N/A ASN 178.A N LEU 174.A O no hydrogen 2.905 N/A LEU 179.A N GLU 175.A O no hydrogen 3.092 N/A ARG 180.A N LEU 176.A O no hydrogen 2.932 N/A ARG 180.A NH2 GLU 144.A OE1 no hydrogen 3.132 N/A SER 181.A N GLU 177.A O no hydrogen 2.997 N/A SER 181.A OG GLU 177.A O no hydrogen 3.308 N/A LEU 182.A N ASN 178.A O no hydrogen 3.032 N/A LEU 183.A N LEU 179.A O no hydrogen 2.883 N/A GLU 184.A N ARG 180.A O no hydrogen 3.009 N/A SER 185.A OG SER 181.A O no hydrogen 3.028 N/A SER 185.A OG LEU 182.A O no hydrogen 2.935 N/A THR 186.A N LEU 183.A O no hydrogen 3.087 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.853 N/A SER 188.A OG GLU 297.A OE2 no hydrogen 2.624 N/A VAL 191.A N ASN 226.A O no hydrogen 3.006 N/A CYS 193.A N SER 224.A O no hydrogen 2.780 N/A CYS 193.A SG VAL 191.A O no hydrogen 3.703 N/A CYS 193.A SG TYR 227.A O no hydrogen 3.765 N/A HIS 194.A N.B ASP 231.A OD2 no hydrogen 3.072 N/A HIS 194.A NE2.A ILE 218.A O no hydrogen 2.869 N/A HIS 194.A NE2.B ILE 218.A O no hydrogen 2.815 N/A HIS 194.A NE2.C ILE 218.A O no hydrogen 2.640 N/A ASN 195.A ND2 TYR 222.A O no hydrogen 2.748 N/A ASP 196.A N HIS 194.A ND1.A no hydrogen 3.048 N/A ASP 196.A N HIS 194.A ND1.B no hydrogen 3.239 N/A ASP 196.A N HIS 194.A ND1.C no hydrogen 3.377 N/A CYS 197.A SG HIS 235.A ND1 no hydrogen 3.681 N/A GLY 200.A N GLN 198.A OE1 no hydrogen 2.903 N/A ASN 201.A N GLN 198.A O no hydrogen 2.861 N/A ASN 201.A ND2 ASP 196.A O no hydrogen 2.823 N/A ILE 202.A N GLU 199.A O no hydrogen 3.017 N/A LEU 203.A N MET 216.A O no hydrogen 2.878 N/A LEU 204.A N ARG 102.A O no hydrogen 2.705 N/A LEU 205.A N LYS 214.A O no hydrogen 3.009 N/A GLU 206.A N PRO 100.A O no hydrogen 3.300 N/A ASN 210.A N ARG 208.A O no hydrogen 2.640 N/A LYS 214.A N GLU 117.A OE1 no hydrogen 2.859 N/A LEU 215.A N GLU 117.A OE2 no hydrogen 3.143 N/A MET 216.A N LEU 203.A O no hydrogen 3.059 N/A ILE 218.A N ASN 201.A O no hydrogen 3.007 N/A TYR 222.A OH SER 37.A OG no hydrogen 2.614 N/A SER 224.A N CYS 193.A O no hydrogen 2.880 N/A SER 224.A OG TYR 225.A O no hydrogen 2.918 N/A ASN 226.A N VAL 191.A O no hydrogen 3.036 N/A ASN 226.A ND2 ASN 195.A OD1 no hydrogen 2.882 N/A TYR 227.A N ASN 226.A OD1 no hydrogen 2.741 N/A ARG 228.A N PRO 189.A O no hydrogen 2.879 N/A ARG 228.A NE GLU 297.A OE2 no hydrogen 2.887 N/A ARG 228.A NH2 GLU 297.A OE1 no hydrogen 2.743 N/A ARG 228.A NH2 GLU 297.A OE2 no hydrogen 3.178 N/A GLY 229.A N SER 188.A OG no hydrogen 2.799 N/A PHE 230.A N TYR 227.A O no hydrogen 2.979 N/A ILE 232.A N ARG 228.A O no hydrogen 3.315 N/A GLY 233.A N GLY 229.A O no hydrogen 2.954 N/A ASN 234.A N PHE 230.A O no hydrogen 2.812 N/A HIS 235.A N ASP 231.A O no hydrogen 3.405 N/A HIS 235.A ND1 CYS 197.A O no hydrogen 2.991 N/A PHE 236.A N ILE 232.A O no hydrogen 2.964 N/A CYS 237.A N GLY 233.A O no hydrogen 3.050 N/A CYS 237.A SG GLY 233.A O no hydrogen 3.287 N/A CYS 237.A SG ALA 302.A O no hydrogen 3.611 N/A GLU 238.A N ASN 234.A O no hydrogen 3.173 N/A GLU 238.A N HIS 235.A O no hydrogen 2.930 N/A TRP 239.A N PHE 236.A O no hydrogen 3.123 N/A MET 240.A N CYS 237.A O no hydrogen 2.996 N/A TYR 241.A N GLU 238.A O no hydrogen 3.473 N/A ASP 242.A N ARG 252.A O no hydrogen 3.081 N/A TYR 243.A OH GLU 238.A OE1 no hydrogen 3.194 N/A TYR 243.A OH GLU 238.A OE2 no hydrogen 2.766 N/A TYR 243.A OH TYR 329.A OH no hydrogen 2.774 N/A SER 244.A N ASP 242.A OD1 no hydrogen 3.107 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.663 N/A TYR 248.A OH ASP 328.A OD2 no hydrogen 3.265 N/A PHE 250.A N LYS 247.A O no hydrogen 2.709 N/A ARG 252.A N ASP 242.A O no hydrogen 3.017 N/A ASN 254.A N MET 240.A O no hydrogen 2.749 N/A ARG 256.A N ASN 254.A OD1 no hydrogen 3.443 N/A LYS 257.A N ASN 254.A O no hydrogen 2.885 N/A TYR 258.A N ILE 255.A O no hydrogen 3.478 N/A TYR 258.A OH ASN 299.A OD1 no hydrogen 2.950 N/A THR 260.A N GLN 263.A OE1 no hydrogen 3.000 N/A THR 260.A OG1 GLN 263.A OE1 no hydrogen 3.480 N/A LYS 261.A NZ GLU 292.A OE2 no hydrogen 3.544 N/A GLN 263.A N THR 260.A OG1 no hydrogen 3.171 N/A GLN 264.A N THR 260.A O no hydrogen 2.774 N/A GLN 264.A NE2 PRO 259.A O no hydrogen 2.907 N/A GLN 264.A NE2 ASN 299.A OD1 no hydrogen 3.457 N/A LEU 265.A N LYS 261.A O no hydrogen 2.807 N/A HIS 266.A N LYS 262.A O no hydrogen 3.026 N/A PHE 267.A N GLN 263.A O no hydrogen 3.217 N/A ILE 268.A N GLN 264.A O no hydrogen 2.889 N/A SER 269.A N LEU 265.A O no hydrogen 2.868 N/A SER 269.A OG LEU 265.A O no hydrogen 2.634 N/A SER 270.A N PHE 267.A O no hydrogen 3.075 N/A TYR 271.A N PHE 267.A O no hydrogen 3.116 N/A TYR 271.A OH HIS 126.A ND1 no hydrogen 2.637 N/A LEU 272.A N ILE 268.A O no hydrogen 3.060 N/A PHE 275.A N TYR 271.A O no hydrogen 2.864 N/A PHE 275.A N LEU 272.A O no hydrogen 2.933 N/A GLN 276.A N LEU 272.A O no hydrogen 2.814 N/A PHE 279.A N GLN 276.A O no hydrogen 3.025 N/A LEU 282.A N PHE 279.A O no hydrogen 3.026 N/A GLU 286.A N SER 283.A OG no hydrogen 3.348 N/A LYS 287.A N SER 283.A O no hydrogen 2.811 N/A LYS 287.A NZ GLU 280.A O no hydrogen 3.534 N/A SER 288.A N THR 284.A O no hydrogen 2.986 N/A ILE 289.A N GLU 285.A O no hydrogen 3.098 N/A ILE 290.A N GLU 286.A O no hydrogen 3.160 N/A LYS 291.A N LYS 287.A O no hydrogen 2.913 N/A LYS 291.A NZ SER 269.A OG no hydrogen 3.273 N/A GLU 292.A N SER 288.A O no hydrogen 2.953 N/A GLU 293.A N ILE 289.A O no hydrogen 3.101 N/A MET 294.A N ILE 290.A O no hydrogen 2.920 N/A LEU 295.A N LYS 291.A O no hydrogen 2.975 N/A LEU 296.A N GLU 292.A O no hydrogen 3.282 N/A GLU 297.A N GLU 293.A O no hydrogen 3.062 N/A VAL 298.A N MET 294.A O no hydrogen 2.963 N/A ASN 299.A N LEU 295.A O no hydrogen 3.264 N/A ASN 299.A ND2 GLN 264.A OE1 no hydrogen 3.028 N/A ASN 299.A ND2 LEU 295.A O no hydrogen 2.474 N/A ARG 300.A N LEU 296.A O no hydrogen 3.219 N/A ARG 300.A NH1 THR 186.A OG1 no hydrogen 3.263 N/A PHE 301.A N GLU 297.A O no hydrogen 3.062 N/A ALA 302.A N VAL 298.A O no hydrogen 2.744 N/A LEU 303.A N ARG 300.A O no hydrogen 3.062 N/A ALA 304.A N PHE 301.A O no hydrogen 3.036 N/A SER 305.A N ALA 302.A O no hydrogen 3.127 N/A SER 305.A OG ASN 234.A OD1 no hydrogen 2.496 N/A HIS 306.A N ALA 302.A O no hydrogen 3.400 N/A PHE 307.A N LEU 303.A O no hydrogen 3.033 N/A LEU 308.A N ALA 304.A O no hydrogen 2.835 N/A TRP 309.A N SER 305.A O no hydrogen 2.899 N/A TRP 309.A NE1 ASN 234.A OD1 no hydrogen 2.645 N/A GLY 310.A N HIS 306.A O no hydrogen 2.809 N/A LEU 311.A N PHE 307.A O no hydrogen 2.997 N/A TRP 312.A N LEU 308.A O no hydrogen 2.997 N/A TRP 312.A NE1 TYR 222.A OH no hydrogen 2.964 N/A SER 313.A N TRP 309.A O no hydrogen 2.962 N/A SER 313.A OG TYR 326.A O no hydrogen 2.691 N/A ILE 314.A N GLY 310.A O no hydrogen 3.309 N/A VAL 315.A N LEU 311.A O no hydrogen 3.171 N/A GLN 316.A N TRP 312.A O no hydrogen 2.904 N/A GLN 316.A NE2 LEU 36.A O no hydrogen 3.123 N/A GLN 316.A NE2 TYR 326.A OH no hydrogen 3.479 N/A ALA 317.A N SER 313.A O no hydrogen 2.956 N/A LYS 318.A N VAL 315.A O no hydrogen 2.994 N/A LYS 318.A NZ LYS 154.A O no hydrogen 3.239 N/A ILE 319.A N VAL 315.A O no hydrogen 3.293 N/A SER 320.A N GLN 316.A O no hydrogen 2.944 N/A SER 320.A OG TYR 326.A OH no hydrogen 2.738 N/A ILE 322.A N SER 320.A OG no hydrogen 3.167 N/A GLY 325.A N PRO 249.A O no hydrogen 2.770 N/A TYR 326.A N PHE 324.A O no hydrogen 2.846 N/A TYR 326.A OH LEU 36.A O no hydrogen 2.961 N/A TYR 326.A OH SER 320.A OG no hydrogen 2.738 N/A TYR 329.A N GLY 325.A O no hydrogen 2.885 N/A TYR 329.A OH TYR 243.A OH no hydrogen 2.774 N/A ALA 330.A N TYR 326.A O no hydrogen 2.927 N/A GLN 331.A N MET 327.A O no hydrogen 3.036 N/A GLN 331.A NE2 TYR 170.A OH no hydrogen 3.036 N/A GLN 331.A NE2 ASP 335.A OD1 no hydrogen 2.640 N/A ALA 332.A N ASP 328.A O no hydrogen 3.099 N/A ARG 333.A N TYR 329.A O no hydrogen 2.885 N/A ARG 333.A NE HIS 306.A ND1 no hydrogen 3.048 N/A ARG 333.A NH1 TYR 329.A OH no hydrogen 2.814 N/A ARG 333.A NH2 SER 305.A OG no hydrogen 3.075 N/A ARG 333.A NH2 HIS 306.A ND1 no hydrogen 3.217 N/A PHE 334.A N ALA 330.A O no hydrogen 2.996 N/A ASP 335.A N GLN 331.A O no hydrogen 2.847 N/A ALA 336.A N ALA 332.A O no hydrogen 3.130 N/A TYR 337.A N ARG 333.A O no hydrogen 2.850 N/A TYR 337.A OH GLU 175.A OE2 no hydrogen 2.780 N/A PHE 338.A N PHE 334.A O no hydrogen 3.052 N/A HIS 339.A N ASP 335.A O no hydrogen 3.047 N/A GLN 340.A N ALA 336.A O no hydrogen 2.967 N/A LYS 341.A N TYR 337.A O no hydrogen 3.041 N/A ARG 342.A N PHE 338.A O no hydrogen 2.987 N/A LYS 343.A N HIS 339.A O no hydrogen 3.241 N/A LEU 344.A N GLN 340.A O no hydrogen 3.112 N/A GLY 345.A N LYS 341.A O no hydrogen 2.966 N/A GLY 345.A N ARG 342.A O no hydrogen 3.032 N/A