Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k3y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 PRO 3.A O no hydrogen 3.456 N/A LEU 4.A N ASP 92.A O no hydrogen 2.853 N/A LEU 6.A N ASN 137.A OD1 no hydrogen 3.071 N/A GLY 7.A N GLN 317.A OE1 no hydrogen 2.889 N/A CYS 11.A N GLN 317.A O no hydrogen 2.778 N/A CYS 11.A SG GLU 318.A OE1 no hydrogen 3.856 N/A ASN 14.A N THR 344.A O no hydrogen 2.670 N/A ASN 14.A ND2 GLY 345.A O no hydrogen 2.306 N/A GLY 15.A N THR 344.A O no hydrogen 3.250 N/A VAL 17.A N CYS 342.A O no hydrogen 2.805 N/A THR 19.A N THR 340.A O no hydrogen 2.828 N/A THR 19.A OG1 THR 340.A O no hydrogen 3.468 N/A THR 19.A OG1 THR 340.A OG1 no hydrogen 2.932 N/A TYR 20.A OH GLU 23.A OE2 no hydrogen 3.403 N/A ARG 21.A NH2 TRP 353.A O no hydrogen 2.978 N/A GLY 24.A N ASP 337.A OD2 no hydrogen 2.996 N/A THR 25.A OG1 GLY 22.A O no hydrogen 3.545 N/A GLY 27.A N GLY 24.A O no hydrogen 3.287 N/A ILE 29.A N THR 328.A O no hydrogen 2.934 N/A GLN 33.A N PRO 30.A O no hydrogen 3.242 N/A MET 34.A N PRO 73.A O no hydrogen 2.971 N/A LEU 35.A N GLY 56.A O no hydrogen 3.006 N/A GLN 38.A NE2 GLN 38.A O no hydrogen 2.966 N/A GLN 38.A NE2 ALA 87.A O no hydrogen 3.146 N/A ASN 39.A N GLU 324.A OE2 no hydrogen 2.972 N/A ASN 39.A ND2 THR 36.A OG1 no hydrogen 2.491 N/A ASN 39.A ND2 GLU 324.A OE2 no hydrogen 2.885 N/A PHE 40.A N PHE 51.A O no hydrogen 2.866 N/A SER 42.A N ARG 49.A O no hydrogen 2.983 N/A SER 42.A OG SER 89.A O no hydrogen 3.091 N/A SER 42.A OG SER 133.A OG no hydrogen 2.616 N/A SER 44.A N GLU 47.A O no hydrogen 2.705 N/A SER 44.A OG GLU 47.A O no hydrogen 3.269 N/A LYS 46.A N SER 44.A OG no hydrogen 3.355 N/A GLU 47.A N SER 44.A OG no hydrogen 3.170 N/A ARG 49.A N SER 42.A O no hydrogen 2.739 N/A ARG 49.A NE GLU 47.A OE2 no hydrogen 2.958 N/A ARG 50.A N VAL 67.A O no hydrogen 2.814 N/A ARG 50.A NH1 ASN 39.A OD1 no hydrogen 2.760 N/A ARG 50.A NH2 TYR 20.A OH no hydrogen 3.523 N/A PHE 51.A N PHE 40.A O no hydrogen 2.802 N/A PHE 52.A N TYR 65.A O no hydrogen 2.982 N/A VAL 53.A N ARG 37.A O no hydrogen 2.668 N/A SER 54.A N ASN 63.A O no hydrogen 2.935 N/A SER 54.A OG LEU 35.A O no hydrogen 2.471 N/A SER 54.A OG GLY 56.A O no hydrogen 3.296 N/A GLN 61.A N SER 59.A OG no hydrogen 2.834 N/A MET 62.A N SER 59.A O no hydrogen 3.380 N/A ASN 63.A N SER 54.A O no hydrogen 2.877 N/A ASN 63.A ND2 TYR 65.A OH no hydrogen 2.949 N/A VAL 64.A N ALA 82.A O no hydrogen 2.651 N/A TYR 65.A N PHE 52.A O no hydrogen 2.867 N/A SER 66.A N LYS 79.A O no hydrogen 3.034 N/A SER 66.A OG GLU 81.A OE2 no hydrogen 2.630 N/A VAL 67.A N ARG 50.A O no hydrogen 2.886 N/A LEU 69.A N CYS 48.A O no hydrogen 2.773 N/A ASP 71.A N LYS 68.A O no hydrogen 2.774 N/A THR 74.A N PRO 72.A O no hydrogen 2.716 N/A LYS 79.A N SER 66.A O no hydrogen 2.985 N/A GLU 81.A N VAL 64.A O no hydrogen 2.731 N/A ALA 82.A N VAL 64.A O no hydrogen 3.264 N/A GLY 84.A N MET 62.A O no hydrogen 3.055 N/A TRP 85.A N VAL 101.A O no hydrogen 2.933 N/A SER 86.A OG GLN 38.A OE1 no hydrogen 3.279 N/A SER 86.A OG THR 129.A OG1 no hydrogen 2.728 N/A ALA 87.A N GLN 38.A OE1 no hydrogen 2.962 N/A SER 88.A N LEU 99.A O no hydrogen 2.993 N/A SER 88.A OG SER 132.A O no hydrogen 3.001 N/A CYS 90.A N THR 97.A O no hydrogen 3.140 N/A GLY 93.A N HIS 91.A ND1 no hydrogen 2.904 N/A PHE 94.A N ASP 92.A OD1 no hydrogen 2.534 N/A GLN 95.A N ASP 92.A OD1 no hydrogen 2.979 N/A THR 97.A N CYS 90.A O no hydrogen 2.950 N/A VAL 98.A N LEU 110.A O no hydrogen 2.839 N/A LEU 99.A N SER 88.A O no hydrogen 2.763 N/A SER 100.A N SER 108.A O no hydrogen 2.965 N/A SER 100.A OG VAL 83.A O no hydrogen 2.879 N/A VAL 101.A N SER 86.A O no hydrogen 2.979 N/A ALA 102.A N PHE 106.A O no hydrogen 3.058 N/A GLY 105.A N ALA 102.A O no hydrogen 2.802 N/A PHE 106.A N ALA 102.A O no hydrogen 3.186 N/A VAL 107.A N ILE 119.A O no hydrogen 2.822 N/A SER 108.A N SER 100.A O no hydrogen 2.749 N/A SER 108.A OG SER 100.A O no hydrogen 3.433 N/A ILE 109.A N ASP 117.A O no hydrogen 2.680 N/A LEU 110.A N VAL 98.A O no hydrogen 2.854 N/A TYR 111.A N ILE 114.A O no hydrogen 2.753 N/A TYR 111.A OH ASP 92.A OD1 no hydrogen 3.405 N/A TYR 111.A OH ASP 92.A OD2 no hydrogen 2.590 N/A GLY 112.A N TRP 96.A O no hydrogen 3.025 N/A ILE 114.A N TYR 111.A O no hydrogen 3.380 N/A THR 116.A N ILE 109.A O no hydrogen 2.826 N/A THR 116.A OG1 ILE 109.A O no hydrogen 3.170 N/A THR 116.A OG1 GLY 164.A O no hydrogen 2.678 N/A ILE 119.A N VAL 107.A O no hydrogen 2.693 N/A THR 122.A N ASP 147.A OD2 no hydrogen 2.693 N/A ASN 123.A N ASP 147.A OD2 no hydrogen 2.703 N/A GLY 125.A N ASP 147.A OD1 no hydrogen 2.715 N/A LEU 127.A N GLY 105.A O no hydrogen 2.998 N/A ARG 128.A N ALA 146.A O no hydrogen 2.850 N/A ARG 128.A NE PRO 126.A O no hydrogen 3.458 N/A ARG 128.A NH1 GLU 180.A OE1 no hydrogen 2.905 N/A THR 129.A OG1 SER 86.A OG no hydrogen 2.728 N/A GLN 130.A NE2 PRO 182.A O no hydrogen 2.844 N/A ALA 131.A N THR 129.A OG1 no hydrogen 3.364 N/A SER 132.A OG THR 183.A OG1 no hydrogen 2.921 N/A SER 133.A OG SER 42.A OG no hydrogen 2.616 N/A SER 133.A OG SER 89.A O no hydrogen 3.414 N/A SER 133.A OG CYS 134.A O no hydrogen 2.890 N/A CYS 134.A N SER 89.A O no hydrogen 2.869 N/A CYS 134.A SG SER 88.A OG no hydrogen 3.627 N/A ILE 135.A N TYR 142.A O no hydrogen 3.103 N/A ASN 137.A N THR 140.A O no hydrogen 2.879 N/A ASP 138.A N LEU 4.A O no hydrogen 2.954 N/A THR 140.A N ASN 137.A O no hydrogen 3.250 N/A CYS 141.A N LEU 161.A O no hydrogen 2.795 N/A TYR 142.A N ILE 135.A O no hydrogen 2.738 N/A THR 143.A N TYR 159.A O no hydrogen 2.980 N/A THR 143.A OG1 GLN 130.A OE1 no hydrogen 2.608 N/A ILE 144.A N GLN 130.A OE1 no hydrogen 3.287 N/A ILE 145.A N ARG 157.A O no hydrogen 2.888 N/A ALA 146.A N ARG 128.A O no hydrogen 2.970 N/A ASP 147.A N SER 155.A O no hydrogen 2.904 N/A GLY 148.A N ASP 147.A OD1 no hydrogen 2.469 N/A THR 150.A OG1 THR 152.A OG1 no hydrogen 3.270 N/A ALA 153.A N THR 150.A O no hydrogen 3.034 N/A SER 154.A OG HIS 156.A NE2 no hydrogen 2.710 N/A SER 155.A N ASP 147.A O no hydrogen 3.058 N/A HIS 156.A NE2 SER 154.A OG no hydrogen 2.710 N/A ARG 157.A N ILE 145.A O no hydrogen 2.956 N/A ARG 157.A NH1 TYR 159.A OH no hydrogen 3.508 N/A LEU 158.A N LYS 170.A O no hydrogen 2.970 N/A TYR 159.A N THR 143.A O no hydrogen 2.754 N/A ARG 160.A N GLY 168.A O no hydrogen 2.923 N/A ARG 160.A NH1 GLN 211.A O no hydrogen 2.731 N/A ARG 160.A NH2 GLN 211.A O no hydrogen 3.150 N/A LEU 161.A N CYS 141.A O no hydrogen 2.738 N/A VAL 162.A N THR 165.A O no hydrogen 2.892 N/A THR 165.A N VAL 162.A O no hydrogen 3.036 N/A THR 165.A OG1 VAL 162.A O no hydrogen 3.477 N/A SER 166.A N ASP 117.A OD2 no hydrogen 2.957 N/A ALA 167.A N ARG 160.A O no hydrogen 2.882 N/A GLY 168.A N SER 166.A OG no hydrogen 3.160 N/A LYS 170.A N LEU 158.A O no hydrogen 2.923 N/A LYS 170.A NZ PHE 213.A O no hydrogen 3.062 N/A LEU 172.A N HIS 156.A O no hydrogen 2.990 N/A ASP 173.A N TYR 215.A OH no hydrogen 2.683 N/A THR 175.A N ASP 173.A OD1 no hydrogen 3.035 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.634 N/A PHE 177.A N THR 174.A O no hydrogen 3.234 N/A ASN 178.A ND2 SER 154.A OG no hydrogen 3.081 N/A ASN 178.A ND2 GLU 180.A OE2 no hydrogen 2.932 N/A PHE 179.A N HIS 156.A NE2 no hydrogen 3.347 N/A GLU 180.A N THR 196.A O no hydrogen 2.744 N/A THR 183.A N THR 194.A O no hydrogen 2.783 N/A THR 183.A OG1 SER 132.A OG no hydrogen 2.921 N/A TYR 185.A N LYS 192.A O no hydrogen 2.924 N/A TYR 185.A OH GLU 255.A O no hydrogen 2.862 N/A TYR 186.A N GLN 308.A OE1 no hydrogen 2.832 N/A TYR 186.A OH GLU 8.A OE2 no hydrogen 2.548 N/A THR 187.A N LYS 190.A O no hydrogen 2.804 N/A THR 187.A OG1 GLU 8.A O no hydrogen 3.113 N/A SER 188.A N GLU 8.A O no hydrogen 2.900 N/A LYS 190.A N THR 187.A O no hydrogen 2.875 N/A VAL 191.A N PHE 209.A O no hydrogen 2.821 N/A LYS 192.A N TYR 185.A O no hydrogen 2.813 N/A CYS 193.A N LEU 207.A O no hydrogen 2.665 N/A THR 194.A N THR 183.A O no hydrogen 2.950 N/A THR 194.A OG1 MET 253.A O no hydrogen 3.220 N/A GLY 195.A N PRO 205.A O no hydrogen 3.102 N/A THR 196.A N GLU 180.A O no hydrogen 2.672 N/A THR 196.A OG1 ILE 249.A O no hydrogen 3.334 N/A ASN 197.A ND2 ASN 200.A OD1 no hydrogen 2.679 N/A LEU 198.A N ASN 178.A OD1 no hydrogen 2.678 N/A TRP 199.A N ASN 197.A OD1 no hydrogen 2.956 N/A ASN 200.A N ASN 197.A OD1 no hydrogen 3.248 N/A ASN 200.A ND2 GLY 176.A O no hydrogen 2.783 N/A ASP 201.A N GLY 245.A O no hydrogen 2.948 N/A ALA 202.A N THR 241.A O no hydrogen 2.814 N/A LYS 203.A N ASP 201.A OD1 no hydrogen 2.907 N/A LYS 203.A NZ PRO 220.A O no hydrogen 3.004 N/A LYS 203.A NZ TYR 237.A O no hydrogen 2.819 N/A LYS 203.A NZ ASP 239.A O no hydrogen 2.759 N/A ARG 204.A NH1 ILE 249.A O no hydrogen 2.950 N/A ARG 204.A NH2 ILE 249.A O no hydrogen 2.614 N/A PHE 206.A N LYS 218.A O no hydrogen 2.783 N/A LEU 207.A N CYS 193.A O no hydrogen 2.830 N/A GLU 208.A N THR 216.A O no hydrogen 3.005 N/A PHE 209.A N VAL 191.A O no hydrogen 2.965 N/A ASP 210.A N THR 214.A O no hydrogen 3.215 N/A SER 212.A N ASP 210.A OD1 no hydrogen 3.193 N/A PHE 213.A N ASP 210.A O no hydrogen 3.127 N/A THR 214.A N ASP 210.A OD1 no hydrogen 2.756 N/A THR 216.A N GLU 208.A O no hydrogen 2.926 N/A LYS 218.A N PHE 206.A O no hydrogen 2.701 N/A CYS 221.A N LEU 282.A O no hydrogen 2.813 N/A CYS 221.A SG GLU 219.A O no hydrogen 3.772 N/A GLY 223.A N ASN 236.A OD1 no hydrogen 2.536 N/A LEU 225.A N ASP 233.A OD1 no hydrogen 3.320 N/A ASP 227.A N ALA 202.A O no hydrogen 3.030 N/A THR 228.A N ASP 227.A OD1 no hydrogen 2.784 N/A ARG 230.A NH1 ASP 227.A O no hydrogen 3.134 N/A ARG 230.A NH1 ILE 264.A O no hydrogen 2.959 N/A ARG 230.A NH2 ILE 264.A O no hydrogen 2.631 N/A THR 234.A N GLY 223.A O no hydrogen 3.115 N/A THR 234.A OG1 THR 235.A O no hydrogen 2.625 N/A ASN 236.A ND2 VAL 285.A O no hydrogen 3.228 N/A TYR 237.A OH THR 241.A OG1 no hydrogen 2.676 N/A THR 241.A N ASP 201.A OD1 no hydrogen 3.037 N/A THR 241.A OG1 TYR 237.A OH no hydrogen 2.676 N/A GLY 245.A N THR 242.A O no hydrogen 2.999 N/A GLY 247.A N LEU 198.A O no hydrogen 2.753 N/A ILE 249.A N ASP 227.A OD1 no hydrogen 3.033 N/A GLN 250.A NE2 ALA 131.A O no hydrogen 2.955 N/A GLN 250.A NE2 PHE 181.A O no hydrogen 3.117 N/A MET 253.A N THR 194.A OG1 no hydrogen 3.066 N/A ILE 254.A N TRP 260.A O no hydrogen 2.915 N/A GLU 255.A N TYR 185.A OH no hydrogen 2.838 N/A GLY 256.A N SER 259.A OG no hydrogen 3.045 N/A ASN 258.A ND2 ILE 13.A O no hydrogen 2.998 N/A SER 259.A N PHE 278.A O no hydrogen 2.948 N/A SER 259.A OG GLY 256.A O no hydrogen 3.257 N/A SER 259.A OG GLY 280.A O no hydrogen 2.869 N/A TRP 260.A N ILE 254.A O no hydrogen 2.772 N/A ILE 261.A N TYR 276.A O no hydrogen 3.192 N/A ARG 263.A N GLU 274.A O no hydrogen 2.989 N/A ARG 263.A NE GLU 274.A OE2 no hydrogen 2.851 N/A ARG 263.A NH1 LEU 225.A O no hydrogen 3.054 N/A ARG 263.A NH1 ASP 233.A OD1 no hydrogen 3.081 N/A ARG 263.A NH1 ASP 233.A OD2 no hydrogen 3.322 N/A ARG 263.A NH2 ASP 233.A OD2 no hydrogen 2.803 N/A ILE 265.A N GLY 272.A O no hydrogen 2.957 N/A ASN 266.A N LYS 271.A O no hydrogen 3.080 N/A GLY 268.A N ASN 266.A OD1 no hydrogen 3.044 N/A LYS 270.A NZ GLY 268.A O no hydrogen 3.326 N/A LYS 271.A N SER 269.A O no hydrogen 2.298 N/A LYS 271.A NZ ASN 298.A O no hydrogen 3.046 N/A GLY 272.A N SER 299.A O no hydrogen 3.037 N/A PHE 273.A N LEU 296.A O no hydrogen 2.896 N/A GLU 274.A N ARG 263.A O no hydrogen 2.959 N/A ILE 275.A N TYR 293.A O no hydrogen 2.889 N/A TYR 276.A N ILE 261.A O no hydrogen 3.174 N/A LYS 277.A N ARG 291.A O no hydrogen 2.708 N/A LYS 277.A NZ ASN 14.A OD1 no hydrogen 2.887 N/A PHE 278.A N SER 259.A O no hydrogen 2.757 N/A GLY 280.A N PHE 278.A O no hydrogen 3.185 N/A THR 281.A OG1 GLU 255.A OE2 no hydrogen 2.353 N/A PHE 283.A N THR 281.A OG1 no hydrogen 3.137 N/A GLN 286.A N SER 284.A OG no hydrogen 3.332 N/A THR 287.A OG1 THR 281.A O no hydrogen 3.078 N/A ARG 291.A NH2 ASP 350.A OD1 no hydrogen 2.167 N/A ASN 292.A ND2 GLU 274.A OE1 no hydrogen 2.941 N/A TYR 293.A N ILE 275.A O no hydrogen 2.832 N/A TYR 293.A OH ASN 14.A O no hydrogen 2.969 N/A TYR 293.A OH MET 348.A O no hydrogen 3.310 N/A LEU 296.A N PHE 273.A O no hydrogen 3.181 N/A SER 297.A N GLY 354.A O no hydrogen 2.798 N/A SER 297.A OG ASN 352.A OD1 no hydrogen 2.778 N/A ASN 298.A N GLY 354.A O no hydrogen 3.076 N/A SER 299.A OG GLY 354.A OXT no hydrogen 3.152 N/A ILE 301.A N LYS 270.A O no hydrogen 2.591 N/A GLY 302.A N GLU 324.A O no hydrogen 2.767 N/A ARG 303.A NE GLU 324.A OE1 no hydrogen 2.853 N/A ARG 303.A NH1 ALA 131.A O no hydrogen 3.075 N/A ARG 303.A NH2 GLU 324.A OE1 no hydrogen 3.464 N/A SER 304.A N GLN 250.A O no hydrogen 3.076 N/A GLY 305.A N TRP 322.A O no hydrogen 3.013 N/A LEU 306.A N THR 183.A OG1 no hydrogen 2.771 N/A TYR 307.A N CYS 320.A O no hydrogen 2.723 N/A GLN 308.A NE2 TYR 186.A O no hydrogen 2.831 N/A SER 313.A OG GLU 312.A O no hydrogen 2.997 N/A GLN 317.A N ASN 9.A O no hydrogen 2.656 N/A GLN 317.A NE2 PRO 309.A O no hydrogen 2.722 N/A GLN 317.A NE2 GLU 318.A O no hydrogen 2.889 N/A CYS 320.A N TYR 307.A O no hydrogen 2.813 N/A PHE 321.A N PHE 341.A O no hydrogen 2.818 N/A TRP 322.A N GLY 305.A O no hydrogen 2.768 N/A ILE 323.A N ILE 339.A O no hydrogen 2.818 N/A GLU 324.A N ARG 303.A O no hydrogen 2.729 N/A ILE 325.A N ASP 337.A O no hydrogen 2.732 N/A ALA 326.A N THR 300.A O no hydrogen 2.945 N/A ALA 327.A N SER 335.A O no hydrogen 2.731 N/A THR 329.A N LEU 333.A O no hydrogen 2.681 N/A THR 329.A OG1 ASP 31.A OD1 no hydrogen 2.826 N/A LYS 330.A N ILE 29.A O no hydrogen 2.800 N/A ALA 331.A N ASP 31.A OD1 no hydrogen 3.446 N/A ALA 331.A N ASP 31.A OD2 no hydrogen 2.612 N/A GLY 332.A N THR 329.A OG1 no hydrogen 3.224 N/A LEU 333.A N THR 329.A OG1 no hydrogen 2.933 N/A SER 335.A N ALA 327.A O no hydrogen 2.948 N/A ASN 336.A ND2 THR 36.A O no hydrogen 2.701 N/A ASP 337.A N ILE 325.A O no hydrogen 2.969 N/A ILE 339.A N ILE 323.A O no hydrogen 2.960 N/A THR 340.A N TYR 20.A O no hydrogen 2.926 N/A THR 340.A OG1 THR 19.A OG1 no hydrogen 2.932 N/A PHE 341.A N PHE 321.A O no hydrogen 2.895 N/A CYS 342.A N VAL 17.A O no hydrogen 2.723 N/A CYS 342.A SG THR 19.A OG1 no hydrogen 3.603 N/A CYS 342.A SG TYR 307.A OH no hydrogen 3.796 N/A GLY 343.A N LEU 319.A O no hydrogen 2.970 N/A THR 344.A N GLY 15.A O no hydrogen 2.971 N/A GLY 346.A N THR 344.A OG1 no hydrogen 3.345 N/A MET 348.A N TYR 293.A OH no hydrogen 3.179 N/A TRP 353.A N LEU 295.A O no hydrogen 2.794 N/A LYS 77A.A N THR 74.A O no hydrogen 2.935 N/A ASN 290A.A N LYS 277.A O no hydrogen 2.851 N/A