Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3krx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N ASP 3.A O no hydrogen 3.067 N/A GLN 7.A N ASP 3.A O no hydrogen 3.344 N/A ALA 9.A N LEU 5.A O no hydrogen 2.833 N/A GLU 10.A N GLN 7.A O no hydrogen 3.334 N/A GLN 11.A N GLN 7.A O no hydrogen 2.807 N/A LEU 12.A N GLU 8.A O no hydrogen 3.189 N/A ASN 14.A N GLU 10.A O no hydrogen 2.993 N/A GLN 15.A N GLN 11.A O no hydrogen 3.212 N/A ILE 16.A N LEU 12.A O no hydrogen 2.960 N/A ILE 16.A N LYS 13.A O no hydrogen 3.237 N/A ARG 17.A N LYS 13.A O no hydrogen 3.071 N/A ASP 18.A N ASN 14.A O no hydrogen 3.212 N/A ALA 19.A N GLN 15.A O no hydrogen 3.044 N/A ARG 20.A N ILE 16.A O no hydrogen 2.929 N/A ARG 20.A N ARG 17.A O no hydrogen 3.100 N/A ARG 20.A NE ASP 256.A O no hydrogen 2.703 N/A ARG 20.A NE ASP 256.A OD2 no hydrogen 3.357 N/A ARG 20.A NH2 THR 219.A O no hydrogen 3.258 N/A ARG 20.A NH2 ASP 256.A O no hydrogen 3.102 N/A ARG 20.A NH2 ASP 256.A OD1 no hydrogen 3.300 N/A LYS 21.A N ARG 17.A O no hydrogen 2.980 N/A CYS 23.A N ARG 20.A O no hydrogen 3.055 N/A CYS 23.A SG ALA 19.A O no hydrogen 3.657 N/A ALA 24.A N LYS 21.A O no hydrogen 3.096 N/A ASP 25.A N CYS 23.A O no hydrogen 2.689 N/A THR 27.A N GLN 30.A OE1 no hydrogen 2.961 N/A THR 27.A OG1 SER 29.A OG no hydrogen 3.404 N/A SER 29.A OG THR 27.A OG1 no hydrogen 3.404 N/A GLN 30.A N THR 27.A O no hydrogen 3.254 N/A ILE 31.A N THR 27.A O no hydrogen 3.243 N/A THR 32.A N LEU 28.A O no hydrogen 2.849 N/A THR 32.A OG1 LEU 28.A O no hydrogen 2.913 N/A THR 32.A OG1 SER 29.A O no hydrogen 3.142 N/A THR 32.A OG1 LEU 298.A O no hydrogen 3.112 N/A ASN 33.A N GLN 30.A O no hydrogen 3.126 N/A ILE 35.A N THR 32.A O no hydrogen 2.940 N/A ARG 44.A N ASN 338.A O no hydrogen 2.756 N/A THR 45.A OG1 ARG 47.A O no hydrogen 3.562 N/A ARG 46.A N ILE 336.A O no hydrogen 2.693 N/A ARG 46.A NE ARG 44.A O no hydrogen 3.256 N/A ARG 46.A NE ASN 338.A O no hydrogen 2.989 N/A ARG 46.A NH2 ASN 338.A O no hydrogen 3.076 N/A ARG 47.A N ILE 336.A O no hydrogen 3.268 N/A ARG 47.A NE SER 82.A O no hydrogen 2.918 N/A ARG 47.A NE TYR 83.A O no hydrogen 3.324 N/A ARG 47.A NH1 ARG 46.A O no hydrogen 3.182 N/A ARG 47.A NH2 TYR 83.A O no hydrogen 2.785 N/A LEU 49.A N LEU 334.A O no hydrogen 2.947 N/A HIS 52.A NE2 SER 70.A OG no hydrogen 2.456 N/A LEU 53.A N ASP 74.A OD1 no hydrogen 3.189 N/A LYS 55.A N GLN 73.A OE1 no hydrogen 3.397 N/A ILE 56.A N SER 329.A O no hydrogen 3.261 N/A TYR 57.A N ALA 71.A O no hydrogen 3.369 N/A HIS 60.A N VAL 69.A O no hydrogen 2.995 N/A TRP 61.A NE1 GLY 317.A O no hydrogen 2.826 N/A GLY 62.A N LEU 67.A O no hydrogen 2.823 N/A THR 63.A OG1 PRO 105.A O no hydrogen 2.902 N/A SER 65.A N GLY 62.A O no hydrogen 3.275 N/A ARG 66.A N ASP 64.A OD2 no hydrogen 3.029 N/A ARG 66.A NE ASP 81.A OD2 no hydrogen 2.747 N/A ARG 66.A NH2 ASP 81.A OD1 no hydrogen 3.165 N/A LEU 67.A N ASP 64.A OD2 no hydrogen 3.110 N/A LEU 68.A N TRP 80.A O no hydrogen 3.352 N/A VAL 69.A N HIS 60.A O no hydrogen 2.989 N/A SER 70.A N ILE 78.A O no hydrogen 2.961 N/A SER 70.A OG HIS 52.A NE2 no hydrogen 2.456 N/A ALA 71.A N ALA 58.A O no hydrogen 2.830 N/A SER 72.A OG ALA 54.A O no hydrogen 3.327 N/A SER 72.A OG LYS 55.A O no hydrogen 3.073 N/A SER 72.A OG ASP 74.A OD2 no hydrogen 2.996 N/A GLN 73.A N LYS 55.A O no hydrogen 2.766 N/A ASP 74.A N SER 72.A OG no hydrogen 3.208 N/A GLY 75.A N SER 72.A O no hydrogen 2.970 N/A LYS 76.A N ASP 74.A OD2 no hydrogen 2.849 N/A LEU 77.A N ILE 91.A O no hydrogen 2.764 N/A ILE 78.A N SER 70.A O no hydrogen 3.195 N/A ILE 79.A N HIS 89.A O no hydrogen 2.942 N/A TRP 80.A N LEU 68.A O no hydrogen 2.966 N/A TRP 80.A NE1 SER 70.A OG no hydrogen 3.022 N/A ASP 81.A N ASN 86.A O no hydrogen 2.717 N/A SER 82.A N ARG 66.A O no hydrogen 3.181 N/A SER 82.A OG ARG 66.A O no hydrogen 2.609 N/A THR 84.A N ASP 81.A O no hydrogen 3.149 N/A THR 84.A OG1 ASP 81.A OD1 no hydrogen 2.685 N/A THR 85.A N ASP 81.A O no hydrogen 2.735 N/A ASN 86.A N THR 84.A OG1 no hydrogen 3.310 N/A LYS 87.A NZ ARG 50.A O no hydrogen 3.450 N/A VAL 88.A N ILE 79.A O no hydrogen 2.611 N/A HIS 89.A N ILE 79.A O no hydrogen 3.445 N/A ILE 91.A N LEU 77.A O no hydrogen 2.803 N/A LEU 93.A N GLY 75.A O no hydrogen 2.847 N/A MET 99.A N GLY 113.A O no hydrogen 2.867 N/A THR 100.A N GLY 113.A O no hydrogen 3.249 N/A CYS 101.A SG ALA 58.A O no hydrogen 3.226 N/A ALA 102.A N ALA 111.A O no hydrogen 2.951 N/A TYR 103.A N HIS 60.A ND1 no hydrogen 3.168 N/A ALA 104.A N TYR 109.A O no hydrogen 3.090 N/A SER 106.A OG ASP 152.A OD2 no hydrogen 2.506 N/A GLY 107.A N ALA 104.A O no hydrogen 2.952 N/A ASN 108.A N SER 106.A OG no hydrogen 3.193 N/A ASN 108.A ND2 ASP 152.A OD1 no hydrogen 3.474 N/A VAL 110.A N TYR 122.A O no hydrogen 2.984 N/A ALA 111.A N ALA 102.A O no hydrogen 2.858 N/A CYS 112.A N SER 120.A O no hydrogen 3.136 N/A LEU 115.A N TRP 97.A O no hydrogen 3.081 N/A ASN 117.A N GLY 114.A O no hydrogen 2.901 N/A CYS 119.A N LEU 137.A O no hydrogen 3.396 N/A SER 120.A N CYS 112.A O no hydrogen 2.911 N/A ILE 121.A N ARG 135.A O no hydrogen 2.808 N/A TYR 122.A N VAL 110.A O no hydrogen 2.678 N/A ASN 123.A N ARG 132.A O no hydrogen 3.018 N/A ASN 123.A ND2 ASN 108.A O no hydrogen 3.466 N/A LEU 124.A N ASN 108.A O no hydrogen 2.783 N/A LYS 125.A NZ GLU 128.A O no hydrogen 3.162 N/A THR 126.A OG1 ASN 130.A O no hydrogen 2.650 N/A GLY 129.A N THR 126.A OG1 no hydrogen 2.936 N/A SER 134.A N ILE 121.A O no hydrogen 2.908 N/A SER 134.A OG ILE 121.A O no hydrogen 3.018 N/A ARG 135.A NE ILE 169.A O no hydrogen 3.221 N/A LEU 137.A N CYS 119.A O no hydrogen 3.021 N/A HIS 140.A ND1 ASP 161.A OD2 no hydrogen 2.560 N/A HIS 140.A NE2 THR 157.A OG1 no hydrogen 2.797 N/A TYR 143.A OH ASP 184.A OD2 no hydrogen 3.017 N/A LEU 144.A N GLY 114.A O no hydrogen 3.024 N/A SER 145.A N SER 158.A O no hydrogen 2.927 N/A SER 145.A OG SER 158.A OG no hydrogen 2.573 N/A SER 145.A OG VAL 185.A O no hydrogen 3.127 N/A SER 145.A OG MET 186.A O no hydrogen 3.301 N/A ARG 148.A N VAL 156.A O no hydrogen 2.952 N/A ARG 148.A NH1 CYS 101.A O no hydrogen 3.397 N/A ARG 148.A NH1 CYS 147.A O no hydrogen 3.000 N/A LEU 150.A N GLN 154.A O no hydrogen 3.192 N/A ASN 153.A N ASP 151.A OD2 no hydrogen 3.102 N/A GLN 154.A N ASP 151.A O no hydrogen 3.359 N/A ILE 155.A N TRP 167.A O no hydrogen 3.470 N/A VAL 156.A N ARG 148.A O no hydrogen 2.878 N/A THR 157.A N ALA 165.A O no hydrogen 2.974 N/A THR 157.A OG1 HIS 140.A NE2 no hydrogen 2.797 N/A SER 158.A N CYS 146.A O no hydrogen 2.905 N/A SER 158.A OG SER 145.A OG no hydrogen 2.573 N/A SER 158.A OG CYS 146.A O no hydrogen 3.351 N/A SER 159.A N THR 163.A O no hydrogen 3.136 N/A SER 159.A OG TYR 143.A O no hydrogen 3.075 N/A GLY 160.A N TYR 143.A O no hydrogen 2.788 N/A ASP 161.A N SER 159.A OG no hydrogen 2.994 N/A THR 162.A OG1 ASP 161.A O no hydrogen 2.485 N/A THR 163.A N ASP 161.A OD1 no hydrogen 2.881 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 2.717 N/A THR 163.A OG1 ASP 161.A OD2 no hydrogen 3.279 N/A CYS 164.A N PHE 178.A O no hydrogen 3.400 N/A ALA 165.A N THR 157.A O no hydrogen 3.010 N/A LEU 166.A N THR 176.A O no hydrogen 2.977 N/A TRP 167.A N ILE 155.A O no hydrogen 2.683 N/A TRP 167.A NE1 THR 157.A OG1 no hydrogen 2.825 N/A ASP 168.A N GLN 173.A O no hydrogen 3.095 N/A ILE 169.A N ASN 153.A O no hydrogen 2.930 N/A THR 171.A OG1 ASP 168.A O no hydrogen 3.398 N/A THR 171.A OG1 ASP 168.A OD2 no hydrogen 2.927 N/A GLY 172.A N ASP 168.A O no hydrogen 2.683 N/A GLN 173.A NE2 GLY 172.A O no hydrogen 2.820 N/A THR 175.A N LEU 166.A O no hydrogen 2.981 N/A THR 176.A N LEU 166.A O no hydrogen 3.515 N/A PHE 178.A N CYS 164.A O no hydrogen 3.010 N/A HIS 181.A ND1 ASP 203.A OD2 no hydrogen 2.957 N/A HIS 181.A NE2 SER 199.A OG no hydrogen 3.040 N/A VAL 185.A N SER 159.A O no hydrogen 3.281 N/A MET 186.A N GLY 200.A O no hydrogen 2.792 N/A SER 187.A N GLY 200.A O no hydrogen 3.388 N/A SER 187.A OG LEU 188.A O no hydrogen 3.522 N/A SER 189.A N VAL 198.A O no hydrogen 3.115 N/A ALA 191.A N LEU 196.A O no hydrogen 3.281 N/A THR 194.A N ALA 191.A O no hydrogen 2.881 N/A THR 194.A OG1 ASP 193.A O no hydrogen 2.423 N/A PHE 197.A N TRP 209.A O no hydrogen 3.341 N/A VAL 198.A N SER 189.A O no hydrogen 3.054 N/A SER 199.A N LYS 207.A O no hydrogen 2.973 N/A SER 199.A OG HIS 181.A NE2 no hydrogen 3.040 N/A SER 199.A OG LYS 207.A O no hydrogen 3.337 N/A GLY 200.A N SER 187.A O no hydrogen 2.859 N/A CYS 202.A N ASP 184.A O no hydrogen 2.722 N/A CYS 202.A SG ASP 184.A O no hydrogen 3.848 N/A ALA 204.A N ALA 201.A O no hydrogen 3.395 N/A SER 205.A N ASP 203.A OD1 no hydrogen 3.205 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 3.210 N/A SER 205.A OG ASP 203.A OD2 no hydrogen 3.044 N/A ALA 206.A N PHE 220.A O no hydrogen 3.345 N/A LYS 207.A N SER 199.A O no hydrogen 3.008 N/A LYS 207.A NZ THR 219.A OG1 no hydrogen 3.171 N/A LEU 208.A N GLN 218.A O no hydrogen 3.125 N/A TRP 209.A N PHE 197.A O no hydrogen 2.917 N/A TRP 209.A NE1 SER 199.A OG no hydrogen 2.630 N/A ASP 210.A N MET 215.A O no hydrogen 2.950 N/A VAL 211.A N ARG 195.A O no hydrogen 2.983 N/A GLY 214.A N ASP 210.A O no hydrogen 2.674 N/A CYS 216.A SG LEU 208.A O no hydrogen 3.970 N/A CYS 216.A SG GLN 218.A O no hydrogen 3.237 N/A CYS 216.A SG THR 219.A OG1 no hydrogen 3.648 N/A ARG 217.A N LEU 208.A O no hydrogen 2.954 N/A GLN 218.A NE2 LEU 253.A O no hydrogen 2.723 N/A GLN 218.A NE2 ASP 256.A OD1 no hydrogen 3.008 N/A PHE 220.A N ALA 206.A O no hydrogen 2.950 N/A HIS 223.A ND1 ASP 245.A OD2 no hydrogen 2.728 N/A HIS 223.A NE2 THR 241.A OG1 no hydrogen 2.601 N/A GLU 224.A N ASP 245.A OD2 no hydrogen 3.333 N/A ASP 226.A N SER 225.A OG no hydrogen 2.645 N/A ILE 227.A N ALA 201.A O no hydrogen 2.974 N/A ASN 228.A N GLY 242.A O no hydrogen 2.677 N/A ASN 228.A ND2 ILE 271.A O no hydrogen 3.436 N/A ALA 229.A N GLY 242.A O no hydrogen 3.375 N/A CYS 231.A N ALA 240.A O no hydrogen 2.812 N/A CYS 231.A SG PHE 232.A O no hydrogen 3.756 N/A PHE 232.A N SER 189.A OG no hydrogen 3.369 N/A PHE 233.A N ALA 238.A O no hydrogen 2.883 N/A GLY 236.A N PHE 233.A O no hydrogen 2.628 N/A ASN 237.A N ASN 235.A OD1 no hydrogen 3.233 N/A PHE 239.A N PHE 251.A O no hydrogen 2.851 N/A ALA 240.A N CYS 231.A O no hydrogen 2.689 N/A THR 241.A N ARG 249.A O no hydrogen 3.000 N/A THR 241.A OG1 HIS 223.A NE2 no hydrogen 2.601 N/A GLY 242.A N ALA 229.A O no hydrogen 2.874 N/A SER 243.A OG ASP 226.A O no hydrogen 3.165 N/A ASP 244.A N ASP 226.A O no hydrogen 3.239 N/A ASP 245.A N SER 243.A OG no hydrogen 3.306 N/A THR 247.A N ASP 245.A OD1 no hydrogen 3.080 N/A THR 247.A OG1 ASP 245.A OD1 no hydrogen 3.211 N/A THR 247.A OG1 ASP 245.A OD2 no hydrogen 3.560 N/A CYS 248.A N TYR 262.A O no hydrogen 3.027 N/A ARG 249.A N THR 241.A O no hydrogen 3.259 N/A ARG 249.A NH1 GLU 258.A OE1 no hydrogen 3.535 N/A ARG 249.A NH1 GLU 258.A OE2 no hydrogen 2.947 N/A LEU 250.A N MET 260.A O no hydrogen 3.113 N/A PHE 251.A N PHE 239.A O no hydrogen 2.777 N/A ASP 252.A N GLN 257.A O no hydrogen 3.199 N/A LEU 253.A N ASN 237.A O no hydrogen 2.938 N/A ALA 255.A N ASP 252.A OD2 no hydrogen 3.294 N/A GLN 257.A N ASP 252.A O no hydrogen 3.391 N/A LEU 259.A N LEU 250.A O no hydrogen 2.765 N/A MET 260.A N LEU 250.A O no hydrogen 3.480 N/A TYR 262.A N CYS 248.A O no hydrogen 2.992 N/A TYR 262.A OH ALA 297.A O no hydrogen 2.784 N/A ILE 267.A N HIS 264.A O no hydrogen 3.188 N/A CYS 269.A SG GLY 270.A O no hydrogen 3.579 N/A ILE 271.A N SER 243.A O no hydrogen 2.947 N/A THR 272.A N GLY 286.A O no hydrogen 2.659 N/A THR 272.A OG1 SER 273.A OG no hydrogen 3.130 N/A THR 272.A OG1 GLY 286.A O no hydrogen 3.538 N/A THR 272.A OG1 VAL 313.A O no hydrogen 2.370 N/A SER 273.A OG THR 272.A OG1 no hydrogen 3.130 N/A SER 275.A N LEU 284.A O no hydrogen 2.965 N/A SER 277.A N LEU 282.A O no hydrogen 2.978 N/A SER 277.A OG LEU 282.A O no hydrogen 3.535 N/A LYS 278.A NZ ASP 320.A O no hydrogen 2.889 N/A ARG 281.A N SER 279.A OG no hydrogen 3.280 N/A ARG 281.A NE ASP 296.A OD1 no hydrogen 2.622 N/A ARG 281.A NH2 ASP 36.A O no hydrogen 2.870 N/A ARG 281.A NH2 ASP 296.A OD1 no hydrogen 3.560 N/A ARG 281.A NH2 ASP 296.A OD2 no hydrogen 3.090 N/A LEU 282.A N SER 277.A OG no hydrogen 3.042 N/A LEU 283.A N TRP 295.A O no hydrogen 2.886 N/A LEU 284.A N SER 275.A O no hydrogen 2.811 N/A ALA 285.A N ASN 293.A O no hydrogen 3.022 N/A GLY 286.A N SER 273.A O no hydrogen 2.911 N/A TYR 287.A N ASN 291.A O no hydrogen 3.004 N/A ASP 288.A N GLY 270.A O no hydrogen 3.355 N/A ASN 291.A N ASP 289.A OD1 no hydrogen 3.050 N/A CYS 292.A N LEU 306.A O no hydrogen 2.952 N/A CYS 292.A SG ALA 285.A O no hydrogen 3.670 N/A CYS 292.A SG ASN 293.A O no hydrogen 3.417 N/A ASN 293.A N ALA 285.A O no hydrogen 2.861 N/A VAL 294.A N GLY 304.A O no hydrogen 2.628 N/A TRP 295.A N LEU 283.A O no hydrogen 2.770 N/A TRP 295.A NE1 TYR 287.A OH no hydrogen 3.174 N/A ASP 296.A N ASP 301.A O no hydrogen 2.665 N/A ALA 297.A N ARG 281.A O no hydrogen 2.745 N/A LYS 299.A N ASP 296.A OD1 no hydrogen 3.415 N/A LYS 299.A NZ THR 32.A O no hydrogen 3.326 N/A LYS 299.A NZ ILE 35.A O no hydrogen 3.055 N/A ALA 300.A N ASP 296.A O no hydrogen 2.771 N/A ALA 303.A N VAL 294.A O no hydrogen 2.649 N/A GLY 304.A N VAL 294.A O no hydrogen 3.321 N/A LEU 306.A N CYS 292.A O no hydrogen 2.527 N/A HIS 309.A ND1 ASP 331.A OD2 no hydrogen 2.898 N/A HIS 309.A NE2 THR 327.A OG1 no hydrogen 2.522 N/A ASP 310.A N ASP 331.A OD2 no hydrogen 3.196 N/A ARG 312.A N ASN 311.A OD1 no hydrogen 2.798 N/A ARG 312.A NE ASP 288.A OD2 no hydrogen 2.784 N/A ARG 312.A NH2 ASP 288.A OD2 no hydrogen 3.171 N/A VAL 313.A N TYR 287.A O no hydrogen 3.329 N/A SER 314.A N GLY 328.A O no hydrogen 2.746 N/A SER 314.A OG ILE 56.A O no hydrogen 2.639 N/A SER 314.A OG GLY 328.A O no hydrogen 3.049 N/A CYS 315.A SG SER 314.A OG no hydrogen 3.435 N/A CYS 315.A SG GLY 328.A O no hydrogen 3.327 N/A GLY 317.A N ALA 326.A O no hydrogen 3.235 N/A THR 319.A N ALA 324.A O no hydrogen 3.280 N/A THR 319.A OG1 ASP 321.A OD1 no hydrogen 2.859 N/A THR 319.A OG1 ALA 324.A O no hydrogen 3.403 N/A ASP 321.A N SER 65.A OG no hydrogen 3.275 N/A GLY 322.A N THR 319.A O no hydrogen 3.286 N/A MET 323.A N ASP 321.A OD1 no hydrogen 3.212 N/A VAL 325.A N TRP 337.A O no hydrogen 2.862 N/A ALA 326.A N GLY 317.A O no hydrogen 3.149 N/A THR 327.A N LYS 335.A O no hydrogen 2.796 N/A THR 327.A OG1 HIS 309.A NE2 no hydrogen 2.522 N/A THR 327.A OG1 LYS 335.A O no hydrogen 3.548 N/A GLY 328.A N CYS 315.A O no hydrogen 2.941 N/A SER 329.A N PHE 333.A O no hydrogen 3.376 N/A SER 329.A OG ASN 311.A O no hydrogen 2.882 N/A SER 329.A OG ARG 312.A O no hydrogen 3.082 N/A TRP 330.A N ARG 312.A O no hydrogen 2.973 N/A ASP 331.A N SER 329.A OG no hydrogen 2.861 N/A SER 332.A N SER 329.A O no hydrogen 3.134 N/A SER 332.A OG ASP 331.A O no hydrogen 2.396 N/A PHE 333.A N ASP 331.A OD1 no hydrogen 3.063 N/A LEU 334.A N LEU 49.A O no hydrogen 3.287 N/A LYS 335.A N THR 327.A O no hydrogen 2.811 N/A LYS 335.A NZ GLY 308.A O no hydrogen 3.003 N/A ILE 336.A N ARG 47.A O no hydrogen 3.009 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 2.860 N/A ASN 338.A N ARG 44.A O no hydrogen 3.081 N/A ASN 338.A ND2 MET 323.A O no hydrogen 3.141 N/A