Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ckr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 177.A OD1 no hydrogen 2.764 N/A MET 8.A N PHE 5.A O no hydrogen 2.861 N/A ASP 10.A N SER 170.A OG no hydrogen 3.305 N/A LEU 12.A N GLY 169.A O no hydrogen 2.900 N/A ARG 13.A N TYR 21.A O no hydrogen 3.086 N/A GLN 18.A N LYS 15.A O no hydrogen 2.826 N/A GLN 18.A NE2 GLY 118.A O no hydrogen 3.662 N/A TYR 20.A OH GLU 332.A OE1 no hydrogen 2.810 N/A TYR 21.A N ARG 13.A O no hydrogen 2.626 N/A VAL 22.A N ILE 35.A O no hydrogen 2.674 N/A MET 24.A N LEU 33.A O no hydrogen 2.870 N/A THR 25.A N SER 92.A O no hydrogen 3.435 N/A VAL 26.A N GLN 31.A O no hydrogen 2.991 N/A SER 28.A N SER 63.A OG no hydrogen 2.949 N/A SER 28.A OG THR 65.A OG1 no hydrogen 3.047 N/A GLN 31.A N VAL 26.A O no hydrogen 2.782 N/A GLN 31.A NE2 GLN 59.A O no hydrogen 3.560 N/A LEU 33.A N MET 24.A O no hydrogen 2.794 N/A ASN 34.A N GLU 122.A OE2 no hydrogen 3.008 N/A ILE 35.A N VAL 22.A O no hydrogen 2.801 N/A LEU 36.A N GLY 123.A O no hydrogen 2.677 N/A VAL 37.A N TYR 20.A O no hydrogen 2.907 N/A ASP 38.A N LEU 125.A O no hydrogen 3.290 N/A THR 39.A N SER 226.A OG no hydrogen 2.843 N/A THR 39.A OG1 VAL 224.A O no hydrogen 3.033 N/A GLY 40.A N ASP 38.A OD1 no hydrogen 2.485 N/A SER 41.A OG ASP 38.A OD2 no hydrogen 2.337 N/A SER 42.A OG TYR 129.A O no hydrogen 2.407 N/A ASN 43.A ND2 ARG 134.A O no hydrogen 2.642 N/A ALA 45.A N ILE 124.A O no hydrogen 2.815 N/A VAL 46.A N ALA 106.A O no hydrogen 3.124 N/A GLY 47.A N GLU 122.A O no hydrogen 2.888 N/A ALA 48.A N ILE 108.A O no hydrogen 3.015 N/A PHE 53.A N HIS 51.A ND1 no hydrogen 2.993 N/A LEU 54.A N HIS 51.A O no hydrogen 2.753 N/A TYR 58.A N GLY 47.A O no hydrogen 2.991 N/A TYR 58.A OH ASP 89.A OD2 no hydrogen 3.333 N/A GLN 59.A N GLN 31.A OE1 no hydrogen 3.252 N/A ARG 60.A NH1 GLU 85.A OE2 no hydrogen 2.882 N/A LEU 62.A N GLN 59.A O no hydrogen 2.979 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 3.175 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 2.714 N/A SER 64.A N SER 28.A O no hydrogen 2.831 N/A SER 64.A OG SER 28.A O no hydrogen 3.344 N/A THR 65.A OG1 SER 28.A OG no hydrogen 3.047 N/A THR 65.A OG1 SER 63.A OG no hydrogen 3.019 N/A THR 65.A OG1 ASP 89.A OD1 no hydrogen 2.470 N/A TYR 66.A N SER 63.A O no hydrogen 3.009 N/A LEU 69.A N LEU 86.A O no hydrogen 3.322 N/A ARG 70.A N ASP 68.A OD1 no hydrogen 2.913 N/A VAL 73.A N GLY 84.A O no hydrogen 2.814 N/A VAL 75.A N TRP 82.A O no hydrogen 3.122 N/A TYR 77.A N GLY 80.A O no hydrogen 2.951 N/A LYS 81.A N ASP 112.A O no hydrogen 2.821 N/A TRP 82.A N VAL 75.A O no hydrogen 3.406 N/A GLU 83.A N GLU 110.A O no hydrogen 2.474 N/A GLY 84.A N VAL 73.A O no hydrogen 2.649 N/A GLU 85.A N ALA 107.A O no hydrogen 2.689 N/A LEU 86.A N LYS 71.A O no hydrogen 2.804 N/A GLY 87.A N ILE 105.A O no hydrogen 2.918 N/A THR 88.A N ARG 67.A O no hydrogen 2.965 N/A LEU 90.A N ASP 89.A OD1 no hydrogen 2.606 N/A VAL 91.A N VAL 101.A O no hydrogen 2.706 N/A SER 92.A N THR 25.A O no hydrogen 3.061 N/A GLY 96.A N ILE 93.A O no hydrogen 2.641 N/A VAL 99.A N PRO 97.A O no hydrogen 2.629 N/A VAL 101.A N VAL 91.A O no hydrogen 3.086 N/A ARG 102.A N GLN 149.A OE1 no hydrogen 2.658 N/A ALA 103.A N ASP 89.A O no hydrogen 3.365 N/A ASN 104.A ND2 GLU 140.A O no hydrogen 2.919 N/A ILE 105.A N GLY 87.A O no hydrogen 3.406 N/A ALA 106.A N PHE 44.A O no hydrogen 3.296 N/A ALA 107.A N GLU 85.A O no hydrogen 2.778 N/A ILE 108.A N VAL 46.A O no hydrogen 2.762 N/A THR 109.A N GLU 83.A O no hydrogen 2.722 N/A GLU 110.A N GLU 83.A O no hydrogen 2.829 N/A ASP 112.A N LYS 81.A O no hydrogen 2.930 N/A SER 119.A OG ILE 116.A O no hydrogen 3.438 N/A ASN 120.A ND2 TYR 21.A OH no hydrogen 2.923 N/A TRP 121.A NE1 GLN 18.A O no hydrogen 2.952 N/A GLU 122.A N ASN 34.A O no hydrogen 2.750 N/A ILE 124.A N ALA 45.A O no hydrogen 2.886 N/A LEU 125.A N LEU 36.A O no hydrogen 2.795 N/A GLY 126.A N ASN 43.A O no hydrogen 3.026 N/A LEU 127.A N ASP 38.A O no hydrogen 2.806 N/A ALA 128.A N SER 41.A O no hydrogen 2.634 N/A TYR 129.A N TRP 194.A O no hydrogen 3.343 N/A ALA 133.A N ALA 130.A O no hydrogen 3.061 N/A SER 138.A OG ASP 136.A OD2 no hydrogen 3.050 N/A SER 138.A OG ASP 137.A OD2 no hydrogen 3.525 N/A LEU 139.A N ASP 136.A O no hydrogen 2.964 N/A ASP 144.A N PRO 141.A O no hydrogen 3.093 N/A SER 145.A N PRO 141.A O no hydrogen 3.379 N/A LEU 146.A N PHE 142.A O no hydrogen 2.999 N/A VAL 147.A N PHE 143.A O no hydrogen 3.292 N/A LYS 148.A N ASP 144.A O no hydrogen 3.124 N/A LYS 148.A NZ GLU 140.A OE1 no hydrogen 3.389 N/A GLN 149.A N SER 145.A O no hydrogen 2.929 N/A GLN 149.A NE2 ARG 102.A O no hydrogen 2.875 N/A THR 150.A OG1 LEU 146.A O no hydrogen 2.596 N/A PHE 156.A N PHE 338.A O no hydrogen 3.381 N/A SER 157.A N ILE 172.A O no hydrogen 3.019 N/A SER 157.A OG ILE 172.A O no hydrogen 3.451 N/A SER 157.A OG GLY 175.A O no hydrogen 3.145 N/A SER 157.A OG TYR 335.A OH no hydrogen 2.574 N/A LEU 158.A N VAL 336.A O no hydrogen 2.846 N/A GLN 159.A N SER 170.A O no hydrogen 2.897 N/A CYS 161.A N GLY 168.A O no hydrogen 3.086 N/A CYS 161.A SG GLY 168.A O no hydrogen 4.032 N/A SER 170.A N GLN 159.A O no hydrogen 2.732 N/A SER 170.A OG GLN 159.A OE1 no hydrogen 2.924 N/A MET 171.A N ASN 11.A OD1 no hydrogen 2.585 N/A ILE 172.A N SER 157.A O no hydrogen 3.067 N/A ASP 177.A N TYR 335.A OH no hydrogen 2.866 N/A HIS 178.A N GLY 3.A O no hydrogen 3.091 N/A SER 179.A N ASP 177.A OD2 no hydrogen 2.750 N/A SER 179.A OG ASP 177.A OD2 no hydrogen 2.482 N/A LEU 180.A N ASP 177.A O no hydrogen 3.135 N/A THR 182.A N VAL 349.A O no hydrogen 3.368 N/A TRP 186.A N PHE 347.A O no hydrogen 2.963 N/A THR 188.A N ILE 345.A O no hydrogen 3.067 N/A THR 188.A OG1 PRO 189.A O no hydrogen 3.474 N/A THR 188.A OG1 MET 285.A O no hydrogen 2.920 N/A ILE 190.A N LYS 343.A O no hydrogen 3.176 N/A ARG 191.A NH1 GLU 197.A OE2 no hydrogen 3.072 N/A ARG 191.A NH1 TYR 377.A O no hydrogen 2.799 N/A ARG 191.A NH2 TYR 377.A O no hydrogen 2.567 N/A TRP 194.A N ARG 192.A O no hydrogen 2.929 N/A TRP 194.A NE1 GLU 197.A OE1 no hydrogen 3.258 N/A TYR 196.A OH LEU 127.A O no hydrogen 3.359 N/A VAL 198.A N SER 222.A O no hydrogen 3.138 N/A ILE 200.A N ASN 218.A OD1 no hydrogen 3.053 N/A VAL 201.A N TYR 283.A O no hydrogen 2.632 N/A ARG 202.A NE GLU 204.A OE2 no hydrogen 2.658 N/A ARG 202.A NH2 GLU 204.A OE2 no hydrogen 3.101 N/A GLU 204.A N SER 281.A O no hydrogen 3.252 N/A ILE 205.A N GLN 208.A O no hydrogen 3.165 N/A ASN 206.A N VAL 279.A O no hydrogen 2.607 N/A GLN 208.A N ILE 205.A O no hydrogen 3.042 N/A LEU 210.A N VAL 203.A O no hydrogen 3.037 N/A LYS 211.A N ASP 209.A OD1 no hydrogen 2.481 N/A LYS 215.A NZ ASP 374.A O no hydrogen 2.600 N/A LYS 215.A NZ ASP 374.A OD1 no hydrogen 3.181 N/A GLU 216.A N ASP 213.A O no hydrogen 2.792 N/A ASN 218.A N LYS 215.A O no hydrogen 3.261 N/A ASN 218.A ND2 ILE 200.A O no hydrogen 3.036 N/A ASN 218.A ND2 CYS 375.A O no hydrogen 2.616 N/A LYS 221.A NZ THR 322.A O no hydrogen 2.700 N/A SER 222.A OG TYR 217.A O no hydrogen 3.247 N/A SER 222.A OG ASN 218.A OD1 no hydrogen 3.185 N/A ILE 223.A N THR 324.A O no hydrogen 2.980 N/A VAL 224.A N TYR 196.A O no hydrogen 3.315 N/A ASP 225.A N MET 326.A O no hydrogen 3.132 N/A SER 226.A N THR 39.A OG1 no hydrogen 2.971 N/A SER 226.A OG VAL 37.A O no hydrogen 3.409 N/A GLY 227.A N ASP 225.A OD1 no hydrogen 2.924 N/A THR 228.A N ASP 225.A O no hydrogen 2.822 N/A THR 228.A OG1 ASP 225.A OD2 no hydrogen 2.381 N/A LEU 231.A N ALA 316.A O no hydrogen 3.064 N/A ARG 232.A N VAL 325.A O no hydrogen 2.911 N/A LEU 233.A N SER 318.A O no hydrogen 3.060 N/A LYS 235.A NZ GLU 239.A OE1 no hydrogen 3.103 N/A PHE 238.A N PRO 234.A O no hydrogen 3.022 N/A GLU 239.A N LYS 235.A O no hydrogen 3.497 N/A ALA 240.A N LYS 236.A O no hydrogen 3.342 N/A ALA 241.A N VAL 237.A O no hydrogen 2.972 N/A VAL 242.A N PHE 238.A O no hydrogen 2.998 N/A LYS 243.A N GLU 239.A O no hydrogen 2.997 N/A SER 244.A N ALA 240.A O no hydrogen 3.119 N/A ILE 245.A N ALA 241.A O no hydrogen 2.870 N/A LYS 246.A N VAL 242.A O no hydrogen 2.814 N/A ALA 247.A N LYS 243.A O no hydrogen 2.754 N/A ALA 248.A N SER 244.A O no hydrogen 2.995 N/A SER 249.A N ILE 245.A O no hydrogen 3.090 N/A SER 249.A N LYS 246.A O no hydrogen 3.137 N/A SER 249.A OG ILE 245.A O no hydrogen 2.706 N/A SER 249.A OG LYS 246.A O no hydrogen 3.004 N/A SER 250.A N ALA 247.A O no hydrogen 3.207 N/A SER 250.A OG ALA 247.A O no hydrogen 2.885 N/A GLU 252.A N SER 249.A O no hydrogen 2.999 N/A PHE 258.A N PRO 255.A O no hydrogen 2.726 N/A LEU 260.A N GLY 257.A O no hydrogen 3.095 N/A GLY 261.A N PHE 258.A O no hydrogen 2.641 N/A GLU 262.A N GLY 257.A O no hydrogen 2.821 N/A GLN 263.A N GLY 257.A O no hydrogen 3.203 N/A VAL 265.A N TYR 313.A O no hydrogen 3.114 N/A TRP 267.A N ASP 311.A O no hydrogen 3.366 N/A TRP 267.A NE1 GLU 252.A OE1 no hydrogen 3.094 N/A GLY 270.A N ASP 311.A OD1 no hydrogen 2.845 N/A THR 271.A N GLN 268.A O no hydrogen 2.801 N/A THR 271.A OG1 GLN 268.A O no hydrogen 2.704 N/A THR 271.A OG1 GLN 268.A OE1 no hydrogen 3.559 N/A THR 272.A OG1 TYR 313.A OH no hydrogen 3.104 N/A ILE 276.A N PRO 273.A O no hydrogen 2.908 N/A PHE 277.A N TRP 274.A O no hydrogen 3.256 N/A VAL 279.A N ASN 206.A OD1 no hydrogen 2.735 N/A ILE 280.A N ILE 297.A O no hydrogen 3.439 N/A SER 281.A N GLU 204.A O no hydrogen 3.034 N/A SER 281.A OG THR 296.A OG1 no hydrogen 3.068 N/A LEU 282.A N ILE 295.A O no hydrogen 3.042 N/A TYR 283.A N ARG 202.A O no hydrogen 2.968 N/A TYR 283.A OH GLU 204.A OE2 no hydrogen 3.094 N/A LEU 284.A N PHE 293.A O no hydrogen 3.023 N/A MET 285.A N ILE 199.A O no hydrogen 2.922 N/A GLN 291.A N VAL 288.A O no hydrogen 2.871 N/A SER 292.A N PHE 367.A O no hydrogen 3.230 N/A SER 292.A OG THR 369.A OG1 no hydrogen 3.197 N/A PHE 293.A N LEU 284.A O no hydrogen 3.376 N/A ARG 294.A N GLU 364.A O no hydrogen 2.991 N/A ARG 294.A NE GLU 364.A OE2 no hydrogen 2.932 N/A ARG 294.A NH1 TYR 283.A OH no hydrogen 2.894 N/A ARG 294.A NH2 GLU 364.A OE2 no hydrogen 2.559 N/A ILE 295.A N LEU 282.A O no hydrogen 2.985 N/A THR 296.A N ALA 362.A O no hydrogen 3.065 N/A THR 296.A OG1 SER 281.A OG no hydrogen 3.068 N/A ILE 297.A N ILE 280.A O no hydrogen 2.910 N/A GLN 300.A N GLN 300.A OE1 no hydrogen 2.335 N/A GLN 301.A N LEU 298.A O no hydrogen 2.697 N/A TYR 302.A N LEU 298.A O no hydrogen 3.261 N/A TYR 302.A OH PRO 278.A O no hydrogen 2.611 N/A LEU 303.A N PRO 299.A O no hydrogen 2.850 N/A VAL 306.A N CYS 312.A O no hydrogen 2.723 N/A ASP 311.A N TRP 267.A O no hydrogen 3.310 N/A TYR 313.A N VAL 265.A O no hydrogen 2.691 N/A TYR 313.A OH THR 272.A OG1 no hydrogen 3.104 N/A LYS 314.A N ARG 304.A O no hydrogen 2.696 N/A ALA 316.A N TYR 302.A O no hydrogen 2.694 N/A SER 318.A N LEU 231.A O no hydrogen 3.243 N/A GLN 319.A NE2 LYS 235.A O no hydrogen 3.481 N/A SER 320.A OG GLY 323.A O no hydrogen 2.767 N/A THR 322.A N SER 320.A OG no hydrogen 3.045 N/A THR 324.A N LYS 221.A O no hydrogen 2.583 N/A THR 324.A OG1 TYR 217.A O no hydrogen 2.679 N/A VAL 325.A N ARG 232.A O no hydrogen 2.571 N/A MET 326.A N ILE 223.A O no hydrogen 2.849 N/A ALA 328.A N THR 229.A O no hydrogen 3.118 N/A VAL 329.A N THR 229.A O no hydrogen 3.172 N/A MET 331.A N GLY 327.A O no hydrogen 3.222 N/A GLU 332.A N ALA 328.A O no hydrogen 2.676 N/A GLY 333.A N ILE 330.A O no hydrogen 2.992 N/A PHE 334.A N MET 331.A O no hydrogen 2.757 N/A TYR 335.A N ALA 348.A O no hydrogen 2.864 N/A TYR 335.A OH SER 157.A OG no hydrogen 2.574 N/A VAL 336.A N LEU 158.A O no hydrogen 3.194 N/A VAL 337.A N GLY 346.A O no hydrogen 2.982 N/A PHE 338.A N PHE 156.A O no hydrogen 2.852 N/A ARG 340.A NH1 TYR 196.A OH no hydrogen 2.689 N/A ALA 341.A N ASN 154.A O no hydrogen 3.142 N/A ARG 342.A N ASP 339.A OD1 no hydrogen 2.660 N/A LYS 343.A N ARG 340.A O no hydrogen 3.211 N/A ARG 344.A N ASP 339.A O no hydrogen 3.013 N/A ARG 344.A NE ASP 339.A OD2 no hydrogen 2.909 N/A ARG 344.A NH1 GLU 287.A OE1 no hydrogen 3.056 N/A ARG 344.A NH1 GLU 287.A OE2 no hydrogen 3.546 N/A ILE 345.A N THR 188.A O no hydrogen 3.022 N/A GLY 346.A N VAL 337.A O no hydrogen 2.860 N/A PHE 347.A N TRP 186.A O no hydrogen 2.875 N/A ALA 348.A N TYR 335.A O no hydrogen 3.200 N/A SER 350.A N GLY 333.A O no hydrogen 3.010 N/A SER 350.A OG PHE 334.A O no hydrogen 3.524 N/A ALA 351.A N LEU 180.A O no hydrogen 2.955 N/A CYS 352.A SG SER 350.A OG no hydrogen 3.667 N/A HIS 353.A N SER 350.A O no hydrogen 3.425 N/A HIS 353.A ND1 SER 350.A O no hydrogen 2.617 N/A HIS 355.A ND1 HIS 353.A O no hydrogen 3.209 N/A ARG 359.A N ASP 356.A OD2 no hydrogen 2.716 N/A ARG 359.A NH2 TRP 274.A O no hydrogen 3.351 N/A ALA 361.A N HIS 353.A NE2 no hydrogen 3.191 N/A ALA 362.A N THR 296.A O no hydrogen 3.337 N/A GLU 364.A N ARG 294.A O no hydrogen 3.106 N/A PHE 367.A N SER 292.A O no hydrogen 3.012 N/A THR 369.A N ASN 290.A O no hydrogen 2.809 N/A THR 369.A OG1 SER 292.A OG no hydrogen 3.197 N/A THR 369.A OG1 PHE 367.A O no hydrogen 3.557 N/A CYS 375.A N MET 372.A O no hydrogen 2.639 N/A CYS 375.A SG ASP 371.A O no hydrogen 3.978 N/A GLY 376.A N GLU 373.A O no hydrogen 3.475 N/A