Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ncl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 12.A N LEU 10.A O no hydrogen 2.613 N/A ALA 18.A N GLN 15.A O no hydrogen 2.932 N/A ALA 20.A N ASP 16.A O no hydrogen 3.163 N/A LYS 22.A N ALA 18.A O no hydrogen 3.033 N/A LEU 23.A N ALA 19.A O no hydrogen 3.472 N/A LYS 24.A N ALA 20.A O no hydrogen 2.804 N/A ILE 25.A N VAL 21.A O no hydrogen 2.741 N/A GLU 26.A N LYS 22.A O no hydrogen 3.186 N/A ASN 27.A N LEU 23.A O no hydrogen 3.255 N/A PHE 28.A N LYS 24.A O no hydrogen 2.933 N/A TYR 29.A N ILE 25.A O no hydrogen 2.964 N/A GLN 30.A N GLU 26.A O no hydrogen 2.855 N/A SER 31.A N ASN 27.A O no hydrogen 3.220 N/A SER 31.A N PHE 28.A O no hydrogen 2.773 N/A SER 31.A OG ASN 27.A O no hydrogen 3.118 N/A SER 31.A OG PHE 28.A O no hydrogen 2.679 N/A SER 32.A N PHE 28.A O no hydrogen 2.753 N/A SER 32.A OG PHE 28.A O no hydrogen 2.840 N/A VAL 33.A N TYR 29.A O no hydrogen 3.171 N/A LYS 34.A N GLN 30.A O no hydrogen 3.273 N/A LYS 34.A NZ GLN 30.A O no hydrogen 2.952 N/A TYR 35.A N SER 31.A O no hydrogen 2.853 N/A TYR 35.A OH TYR 406.A O no hydrogen 2.917 N/A ALA 36.A N SER 32.A O no hydrogen 3.315 N/A ILE 37.A N VAL 33.A O no hydrogen 2.775 N/A GLU 38.A N LYS 34.A O no hydrogen 2.852 N/A GLU 38.A N TYR 35.A O no hydrogen 3.034 N/A ARG 39.A N TYR 35.A O no hydrogen 2.743 N/A ASN 40.A N ALA 36.A O no hydrogen 2.880 N/A GLU 41.A N ILE 37.A O no hydrogen 3.132 N/A ARG 42.A N GLU 38.A O no hydrogen 2.812 N/A ARG 43.A N ARG 39.A O no hydrogen 3.262 N/A VAL 44.A N ASN 40.A O no hydrogen 3.120 N/A GLU 45.A N GLU 41.A O no hydrogen 3.019 N/A GLU 45.A N ARG 42.A O no hydrogen 2.922 N/A LEU 46.A N ARG 42.A O no hydrogen 3.062 N/A GLU 47.A N ARG 43.A O no hydrogen 3.051 N/A THR 48.A N VAL 44.A O no hydrogen 3.205 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.871 N/A THR 48.A OG1 GLU 45.A O no hydrogen 2.717 N/A GLU 49.A N LEU 46.A O no hydrogen 3.037 N/A LEU 50.A N LEU 46.A O no hydrogen 2.808 N/A THR 51.A OG1 GLU 47.A O no hydrogen 3.367 N/A SER 52.A N GLU 49.A O no hydrogen 3.321 N/A SER 52.A OG SER 52.A O no hydrogen 2.375 N/A ARG 59.A N SER 56.A O no hydrogen 2.818 N/A LYS 60.A N SER 56.A O no hydrogen 2.991 N/A SER 61.A N GLU 57.A O no hydrogen 3.475 N/A SER 61.A OG GLU 57.A O no hydrogen 3.435 N/A ARG 62.A N ARG 59.A O no hydrogen 3.229 N/A ARG 62.A NH1 GLU 58.A OE1 no hydrogen 3.182 N/A ARG 62.A NH2 GLU 58.A OE1 no hydrogen 3.479 N/A GLN 63.A N ARG 59.A O no hydrogen 2.949 N/A LEU 64.A N LYS 60.A O no hydrogen 2.571 N/A SER 66.A N ARG 62.A O no hydrogen 2.684 N/A LEU 67.A N GLN 63.A O no hydrogen 2.826 N/A GLY 68.A N LEU 64.A O no hydrogen 3.258 N/A LYS 69.A N SER 65.A O no hydrogen 2.668 N/A LYS 70.A N SER 66.A O no hydrogen 3.173 N/A GLU 71.A N LEU 67.A O no hydrogen 3.006 N/A SER 72.A N GLY 68.A O no hydrogen 2.840 N/A SER 72.A OG GLY 68.A O no hydrogen 2.702 N/A GLN 73.A N LYS 69.A O no hydrogen 3.355 N/A PHE 74.A N LYS 70.A O no hydrogen 3.207 N/A ARG 76.A N SER 72.A O no hydrogen 3.021 N/A LEU 77.A N GLN 73.A O no hydrogen 2.921 N/A LEU 77.A N PHE 74.A O no hydrogen 2.643 N/A ARG 78.A N PHE 74.A O no hydrogen 3.218 N/A ARG 79.A N LEU 75.A O no hydrogen 3.430 N/A THR 80.A N LEU 77.A O no hydrogen 2.358 N/A THR 80.A OG1 ARG 76.A O no hydrogen 3.003 N/A THR 80.A OG1 LEU 77.A O no hydrogen 2.775 N/A ARG 81.A NH2 LEU 399.A O no hydrogen 3.336 N/A SER 83.A OG LEU 84.A O no hydrogen 2.923 N/A HIS 88.A N GLN 105.A O no hydrogen 2.688 N/A VAL 90.A N LEU 103.A O no hydrogen 2.985 N/A ILE 93.A N VAL 101.A O no hydrogen 2.959 N/A GLY 94.A N VAL 101.A O no hydrogen 3.496 N/A GLY 96.A N GLY 99.A O no hydrogen 3.211 N/A VAL 101.A N GLY 94.A O no hydrogen 3.024 N/A ARG 102.A N MET 115.A O no hydrogen 2.512 N/A LEU 103.A N LYS 91.A O no hydrogen 3.233 N/A VAL 104.A N TYR 113.A O no hydrogen 2.927 N/A GLN 105.A N HIS 88.A O no hydrogen 3.126 N/A LYS 106.A NZ ASP 108.A OD1 no hydrogen 2.921 N/A LYS 111.A NZ LEU 418.A OXT no hydrogen 2.416 N/A TYR 113.A N VAL 104.A O no hydrogen 2.788 N/A ALA 114.A N MET 149.A O no hydrogen 2.373 N/A MET 115.A N ARG 102.A O no hydrogen 2.500 N/A LYS 116.A N LEU 147.A O no hydrogen 3.170 N/A THR 117.A N GLU 100.A O no hydrogen 2.851 N/A LEU 118.A N LEU 145.A O no hydrogen 2.966 N/A LYS 120.A N GLN 143.A O no hydrogen 3.318 N/A SER 121.A OG LYS 120.A O no hydrogen 2.289 N/A MET 123.A N LEU 119.A O no hydrogen 3.415 N/A VAL 132.A N SER 129.A O no hydrogen 3.356 N/A VAL 133.A N LEU 211.A O no hydrogen 2.860 N/A SER 134.A N GLU 150.A OE1 no hydrogen 3.324 N/A TYR 136.A N ILE 148.A O no hydrogen 2.797 N/A PHE 139.A N TYR 146.A O no hydrogen 2.985 N/A TYR 144.A N ASP 141.A OD1 no hydrogen 2.808 N/A LEU 145.A N LEU 118.A O no hydrogen 3.205 N/A TYR 146.A N PHE 139.A O no hydrogen 3.078 N/A TYR 146.A OH ASP 141.A OD2 no hydrogen 2.930 N/A LEU 147.A N LYS 116.A O no hydrogen 3.293 N/A ILE 148.A N TYR 137.A O no hydrogen 3.127 N/A MET 149.A N ALA 114.A O no hydrogen 2.905 N/A GLU 150.A N SER 134.A O no hydrogen 3.176 N/A GLY 154.A N ILE 203.A O no hydrogen 2.779 N/A LEU 157.A N ILE 201.A O no hydrogen 2.800 N/A THR 159.A N ASP 156.A OD1 no hydrogen 2.364 N/A MET 160.A N ASP 156.A O no hydrogen 2.983 N/A LEU 161.A N LEU 157.A O no hydrogen 2.794 N/A ILE 162.A N MET 158.A O no hydrogen 3.152 N/A ARG 163.A N THR 159.A O no hydrogen 3.269 N/A TRP 164.A N MET 160.A O no hydrogen 3.048 N/A GLN 165.A N LEU 161.A O no hydrogen 2.765 N/A PHE 167.A N CYS 288.A O no hydrogen 2.988 N/A ASP 170.A N THR 168.A OG1 no hydrogen 2.690 N/A VAL 171.A N THR 168.A OG1 no hydrogen 3.123 N/A THR 172.A N THR 168.A O no hydrogen 3.181 N/A THR 172.A OG1 THR 168.A O no hydrogen 2.978 N/A ARG 173.A N GLU 169.A O no hydrogen 3.242 N/A ARG 173.A NE PHE 356.A O no hydrogen 3.513 N/A PHE 174.A N ASP 170.A O no hydrogen 3.138 N/A TYR 175.A N VAL 171.A O no hydrogen 3.194 N/A MET 176.A N THR 172.A O no hydrogen 2.635 N/A ALA 177.A N ARG 173.A O no hydrogen 2.974 N/A GLU 178.A N PHE 174.A O no hydrogen 2.956 N/A CYS 179.A N TYR 175.A O no hydrogen 3.236 N/A CYS 179.A SG TYR 175.A O no hydrogen 2.852 N/A ILE 180.A N MET 176.A O no hydrogen 2.891 N/A LEU 181.A N ALA 177.A O no hydrogen 3.166 N/A ALA 182.A N GLU 178.A O no hydrogen 2.985 N/A ILE 183.A N CYS 179.A O no hydrogen 2.709 N/A GLU 184.A N ILE 180.A O no hydrogen 2.518 N/A THR 185.A N LEU 181.A O no hydrogen 3.225 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.858 N/A THR 185.A OG1 ALA 182.A O no hydrogen 2.215 N/A ILE 186.A N ALA 182.A O no hydrogen 3.100 N/A HIS 187.A N ILE 183.A O no hydrogen 2.951 N/A HIS 187.A NE2 ASP 277.A OD2 no hydrogen 2.886 N/A LYS 188.A N GLU 184.A O no hydrogen 2.932 N/A LYS 188.A NZ GLU 184.A OE1 no hydrogen 2.473 N/A LEU 189.A N THR 185.A O no hydrogen 3.155 N/A GLY 190.A N HIS 187.A O no hydrogen 2.795 N/A PHE 191.A N ILE 186.A O no hydrogen 3.413 N/A HIS 193.A N ASP 277.A OD2 no hydrogen 2.898 N/A ARG 194.A N ASP 277.A OD1 no hydrogen 2.532 N/A ALA 195.A N HIS 193.A ND1 no hydrogen 2.848 N/A ASN 200.A N LYS 197.A O no hydrogen 3.194 N/A ILE 201.A N PRO 198.A O no hydrogen 2.957 N/A LEU 202.A N LYS 210.A O no hydrogen 2.957 N/A ILE 203.A N GLY 155.A O no hydrogen 3.298 N/A ASP 204.A N HIS 208.A O no hydrogen 2.944 N/A ARG 206.A N ASP 204.A OD1 no hydrogen 3.189 N/A ARG 206.A NH1 ARG 365.A O no hydrogen 2.444 N/A GLY 207.A N ASP 204.A O no hydrogen 3.099 N/A HIS 208.A N ASP 204.A OD1 no hydrogen 2.873 N/A HIS 208.A ND1 GLU 178.A OE2 no hydrogen 2.838 N/A HIS 208.A NE2 VAL 367.A O no hydrogen 2.700 N/A ILE 209.A N GLU 178.A OE2 no hydrogen 3.315 N/A LYS 210.A N LEU 202.A O no hydrogen 2.733 N/A LYS 210.A NZ PRO 130.A O no hydrogen 2.890 N/A LEU 211.A N TRP 131.A O no hydrogen 2.835 N/A SER 212.A OG ASN 200.A O no hydrogen 3.334 N/A SER 217.A OG LEU 216.A O no hydrogen 2.234 N/A THR 218.A OG1 ASP 213.A OD2 no hydrogen 2.576 N/A HIS 221.A NE2 HIS 224.A NE2 no hydrogen 3.048 N/A THR 223.A OG1 ASP 225.A O no hydrogen 2.701 N/A GLN 240.A N ASN 237.A O no hydrogen 3.166 N/A GLN 240.A NE2 SER 236.A O no hydrogen 3.319 N/A ILE 241.A N ASN 237.A O no hydrogen 3.425 N/A GLN 242.A N ARG 238.A O no hydrogen 2.880 N/A THR 243.A N GLN 239.A O no hydrogen 3.187 N/A THR 243.A OG1 GLN 239.A O no hydrogen 3.474 N/A THR 243.A OG1 GLN 240.A O no hydrogen 3.062 N/A TRP 244.A N GLN 240.A O no hydrogen 2.617 N/A TRP 244.A NE1 GLU 287.A OE1 no hydrogen 3.014 N/A LYS 246.A N THR 243.A O no hydrogen 2.749 N/A SER 247.A N THR 243.A O no hydrogen 3.098 N/A SER 247.A N TRP 244.A O no hydrogen 2.584 N/A ARG 249.A N ARG 245.A O no hydrogen 3.235 N/A ALA 252.A N ARG 248.A O no hydrogen 3.145 N/A SER 254.A OG TYR 253.A O no hydrogen 2.879 N/A THR 258.A OG1 ASP 260.A OD2 no hydrogen 2.423 N/A TYR 261.A OH GLU 287.A OE2 no hydrogen 2.914 N/A ILE 262.A N PRO 259.A O no hydrogen 2.938 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.346 N/A PHE 267.A N PRO 264.A O no hydrogen 3.029 N/A CYS 276.A N GLY 273.A O no hydrogen 2.681 N/A ASP 277.A N GLN 274.A O no hydrogen 3.304 N/A SER 280.A OG ASP 277.A O no hydrogen 2.254 N/A LEU 281.A N ASP 277.A O no hydrogen 3.166 N/A GLY 282.A N TRP 278.A O no hydrogen 3.015 N/A ALA 283.A N TRP 279.A O no hydrogen 2.700 N/A ILE 284.A N SER 280.A O no hydrogen 2.768 N/A MET 285.A N LEU 281.A O no hydrogen 2.630 N/A TYR 286.A N GLY 282.A O no hydrogen 2.910 N/A TYR 286.A OH GLN 315.A O no hydrogen 2.930 N/A GLU 287.A N ALA 283.A O no hydrogen 3.013 N/A CYS 288.A N ILE 284.A O no hydrogen 3.080 N/A CYS 288.A SG THR 172.A OG1 no hydrogen 3.409 N/A CYS 288.A SG ILE 284.A O no hydrogen 3.774 N/A CYS 288.A SG MET 285.A O no hydrogen 3.466 N/A LEU 289.A N MET 285.A O no hydrogen 3.180 N/A ILE 290.A N TYR 286.A O no hydrogen 2.980 N/A GLY 291.A N GLU 287.A O no hydrogen 2.976 N/A CYS 296.A N PRO 293.A O no hydrogen 3.400 N/A SER 297.A OG PHE 295.A O no hydrogen 2.434 N/A SER 297.A OG THR 303.A OG1 no hydrogen 3.139 N/A THR 299.A OG1 GLN 301.A OE1 no hydrogen 2.953 N/A THR 303.A N THR 299.A O no hydrogen 3.340 N/A THR 303.A OG1 SER 297.A OG no hydrogen 3.139 N/A THR 303.A OG1 THR 299.A O no hydrogen 2.912 N/A TYR 304.A N PRO 300.A O no hydrogen 2.810 N/A ARG 305.A N GLN 301.A O no hydrogen 2.909 N/A LYS 306.A N GLU 302.A O no hydrogen 2.968 N/A LYS 306.A NZ CYS 296.A O no hydrogen 3.493 N/A ILE 307.A N THR 303.A O no hydrogen 3.095 N/A MET 308.A N TYR 304.A O no hydrogen 3.054 N/A MET 308.A N ARG 305.A O no hydrogen 3.180 N/A ASN 309.A N ARG 305.A O no hydrogen 3.009 N/A THR 313.A N PHE 310.A O no hydrogen 3.256 N/A THR 313.A OG1 LYS 306.A O no hydrogen 2.887 N/A THR 313.A OG1 ASN 309.A O no hydrogen 2.771 N/A LEU 314.A N PHE 310.A O no hydrogen 3.196 N/A GLN 315.A NE2 GLN 312.A O no hydrogen 3.268 N/A SER 323.A N GLU 169.A OE2 no hydrogen 2.488 N/A SER 323.A OG GLU 169.A OE1 no hydrogen 3.449 N/A SER 323.A OG GLU 169.A OE2 no hydrogen 3.458 N/A SER 323.A OG GLU 325.A OE2 no hydrogen 3.037 N/A GLU 325.A N SER 323.A OG no hydrogen 2.974 N/A ALA 326.A N SER 323.A OG no hydrogen 2.865 N/A GLU 327.A N SER 323.A O no hydrogen 3.241 N/A LEU 329.A N GLU 325.A O no hydrogen 3.063 N/A ILE 330.A N ALA 326.A O no hydrogen 3.273 N/A ARG 331.A N GLU 327.A O no hydrogen 3.184 N/A ARG 331.A NE GLU 327.A OE1 no hydrogen 3.064 N/A ARG 332.A N ASP 328.A O no hydrogen 2.803 N/A ARG 332.A NH2 ASP 328.A OD1 no hydrogen 2.811 N/A LEU 333.A N LEU 329.A O no hydrogen 2.837 N/A LEU 333.A N ILE 330.A O no hydrogen 3.006 N/A LEU 334.A N ILE 330.A O no hydrogen 2.782 N/A LEU 334.A N ARG 331.A O no hydrogen 3.287 N/A HIS 336.A N THR 335.A OG1 no hydrogen 2.412 N/A GLN 339.A N HIS 336.A O no hydrogen 2.808 N/A GLN 339.A NE2 ASP 338.A OD1 no hydrogen 3.078 N/A ARG 340.A N ALA 337.A O no hydrogen 3.018 N/A ARG 340.A NH2 GLU 265.A OE1 no hydrogen 3.398 N/A ARG 340.A NH2 GLU 265.A OE2 no hydrogen 2.930 N/A ARG 340.A NH2 THR 335.A O no hydrogen 3.516 N/A LEU 341.A N ARG 332.A O no hydrogen 2.934 N/A GLY 342.A N GLU 349.A OE1 no hydrogen 2.283 N/A ARG 343.A N ARG 340.A O no hydrogen 3.153 N/A SER 352.A OG ASP 348.A O no hydrogen 2.896 N/A SER 352.A OG GLU 349.A O no hydrogen 3.270 N/A HIS 353.A N ILE 350.A O no hydrogen 3.047 N/A HIS 353.A NE2 ASP 328.A OD1 no hydrogen 2.833 N/A PHE 356.A N HIS 353.A O no hydrogen 3.197 N/A ASP 360.A N ASP 360.A OD1 no hydrogen 2.216 N/A GLN 366.A N THR 363.A O no hydrogen 2.705 N/A LYS 374.A N TYR 371.A OH no hydrogen 3.040 N/A SER 376.A N ASP 380.A OD2 no hydrogen 2.416 N/A SER 376.A OG ASP 380.A OD2 no hydrogen 2.973 N/A SER 377.A OG THR 379.A OG1 no hydrogen 3.384 N/A THR 379.A N SER 377.A OG no hydrogen 3.014 N/A THR 379.A OG1 SER 377.A OG no hydrogen 3.384 N/A ARG 382.A NE ASP 380.A OD1 no hydrogen 2.793 N/A ARG 382.A NE ASP 380.A OD2 no hydrogen 2.838 N/A ARG 382.A NH2 ASP 380.A OD2 no hydrogen 2.771 N/A PHE 384.A N THR 381.A O no hydrogen 2.753 N/A THR 386.A N PHE 384.A O no hydrogen 2.623 N/A THR 386.A OG1 THR 386.A O no hydrogen 2.634 N/A ASP 394.A N VAL 392.A O no hydrogen 2.324 N/A TYR 411.A N SER 407.A O no hydrogen 3.205 N/A LEU 412.A N ARG 408.A O no hydrogen 3.063 N/A THR 413.A N PHE 409.A O no hydrogen 3.240 N/A THR 413.A OG1 ASP 128.A OD2 no hydrogen 3.335 N/A ARG 414.A N ASP 410.A O no hydrogen 2.972 N/A LYS 415.A N TYR 411.A O no hydrogen 2.752 N/A ASN 416.A N LEU 412.A O no hydrogen 2.625 N/A ALA 417.A N ARG 414.A O no hydrogen 3.310 N/A LEU 418.A N ARG 414.A O no hydrogen 2.630 N/A