Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 GLU 172.A OE2 no hydrogen 3.370 N/A ILE 4.A N LEU 166.A O no hydrogen 2.751 N/A LEU 6.A N GLY 164.A O no hydrogen 2.859 N/A VAL 7.A N TYR 15.A O no hydrogen 2.899 N/A PHE 9.A N MET 13.A O no hydrogen 2.789 N/A ASN 11.A N ASP 8.A OD1 no hydrogen 2.745 N/A ASN 11.A N ASP 8.A OD2 no hydrogen 3.353 N/A ILE 12.A N PHE 9.A O no hydrogen 2.832 N/A MET 13.A N PHE 9.A O no hydrogen 3.403 N/A TYR 15.A N VAL 7.A O no hydrogen 3.051 N/A GLY 16.A N PHE 29.A O no hydrogen 3.060 N/A ALA 18.A N PHE 27.A O no hydrogen 3.151 N/A GLU 19.A N THR 90.A O no hydrogen 2.948 N/A VAL 20.A N GLN 25.A O no hydrogen 2.959 N/A GLY 21.A N LEU 88.A O no hydrogen 2.681 N/A ASP 22.A N SER 61.A OG no hydrogen 3.107 N/A ASN 23.A ND2 GLN 25.A OE1 no hydrogen 3.140 N/A GLN 24.A N GLY 21.A O no hydrogen 3.046 N/A GLN 25.A N VAL 20.A O no hydrogen 2.925 N/A GLN 25.A NE2 LEU 55.A O no hydrogen 3.695 N/A PHE 27.A N ALA 18.A O no hydrogen 2.993 N/A THR 28.A N ASP 119.A OD2 no hydrogen 2.828 N/A THR 28.A OG1 ASP 17.A OD1 no hydrogen 3.143 N/A PHE 29.A N GLY 16.A O no hydrogen 2.823 N/A ILE 30.A N GLY 120.A O no hydrogen 3.125 N/A ASP 32.A N LEU 122.A O no hydrogen 2.910 N/A THR 33.A N SER 213.A OG no hydrogen 2.827 N/A THR 33.A OG1 VAL 211.A O no hydrogen 2.779 N/A GLY 34.A N ASP 32.A OD1 no hydrogen 2.841 N/A SER 35.A N ASP 32.A O no hydrogen 3.361 N/A SER 35.A OG ASP 32.A OD2 no hydrogen 2.553 N/A ASN 37.A ND2 ILE 131.A O no hydrogen 3.005 N/A TRP 39.A N ILE 121.A O no hydrogen 3.061 N/A VAL 40.A N ILE 101.A O no hydrogen 3.092 N/A SER 42.A N VAL 103.A O no hydrogen 2.939 N/A SER 42.A OG GLU 102.A OE2 no hydrogen 2.680 N/A VAL 43.A N TYR 56.A O no hydrogen 2.772 N/A LYS 44.A N SER 42.A OG no hydrogen 3.015 N/A CYS 45.A N SER 42.A O no hydrogen 2.994 N/A CYS 45.A SG THR 47.A OG1 no hydrogen 3.312 N/A CYS 45.A SG ILE 104.A O no hydrogen 3.230 N/A THR 47.A OG1 THR 106.A OG1 no hydrogen 2.714 N/A CYS 50.A SG THR 47.A OG1 no hydrogen 3.493 N/A LEU 51.A N ALA 48.A O no hydrogen 3.351 N/A THR 52.A N GLY 49.A O no hydrogen 3.215 N/A THR 52.A OG1 GLY 49.A O no hydrogen 2.577 N/A LYS 53.A N CYS 50.A O no hydrogen 3.057 N/A LYS 53.A NZ TYR 113.A O no hydrogen 2.864 N/A LYS 53.A NZ PHE 118.A O no hydrogen 2.977 N/A HIS 54.A N ASP 119.A OD1 no hydrogen 2.975 N/A HIS 54.A ND1 ASP 119.A OD2 no hydrogen 2.975 N/A TYR 56.A N PRO 41.A O no hydrogen 2.785 N/A TYR 56.A OH ASP 87.A OD2 no hydrogen 2.579 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.702 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.501 N/A SER 59.A OG ASP 57.A OD2 no hydrogen 3.344 N/A LYS 60.A N ASP 57.A O no hydrogen 3.221 N/A SER 61.A N SER 58.A O no hydrogen 3.302 N/A SER 61.A OG ASP 22.A OD1 no hydrogen 3.555 N/A SER 61.A OG ASP 87.A OD1 no hydrogen 2.850 N/A SER 61.A OG ASP 87.A OD2 no hydrogen 2.725 N/A ARG 62.A N ASP 22.A OD1 no hydrogen 3.253 N/A ARG 62.A NE ASP 22.A OD2 no hydrogen 2.805 N/A THR 63.A OG1 SER 61.A OG no hydrogen 3.045 N/A THR 63.A OG1 ASP 87.A OD1 no hydrogen 2.683 N/A GLU 65.A N LYS 86.A O no hydrogen 2.852 N/A LYS 66.A NZ ASP 67.A O no hydrogen 3.570 N/A GLY 68.A N PHE 84.A O no hydrogen 2.790 N/A THR 69.A N ASP 67.A OD1 no hydrogen 2.990 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.655 N/A VAL 71.A N GLY 82.A O no hydrogen 2.991 N/A MET 73.A N VAL 80.A O no hydrogen 2.772 N/A ASN 74.A ND2 GLU 72.A OE2 no hydrogen 2.846 N/A TYR 75.A N GLY 78.A O no hydrogen 2.819 N/A GLY 78.A N TYR 75.A O no hydrogen 2.902 N/A THR 79.A N GLY 108.A O no hydrogen 2.805 N/A THR 79.A OG1 ASN 74.A OD1 no hydrogen 2.989 N/A VAL 80.A N MET 73.A O no hydrogen 3.094 N/A SER 81.A N ASP 105.A O no hydrogen 3.003 N/A GLY 82.A N VAL 71.A O no hydrogen 2.864 N/A PHE 83.A N GLU 102.A O no hydrogen 3.000 N/A PHE 84.A N THR 69.A O no hydrogen 2.925 N/A SER 85.A N PHE 100.A O no hydrogen 2.768 N/A SER 85.A OG GLU 102.A OE1 no hydrogen 2.610 N/A LYS 86.A N GLU 65.A O no hydrogen 2.940 N/A ASP 87.A N TYR 98.A O no hydrogen 3.197 N/A LEU 88.A N ASP 87.A OD1 no hydrogen 2.603 N/A VAL 89.A N LEU 96.A O no hydrogen 2.852 N/A THR 90.A N GLU 19.A O no hydrogen 2.963 N/A VAL 91.A N LEU 94.A O no hydrogen 2.805 N/A ASN 93.A N ASP 2.A OD1 no hydrogen 3.108 N/A LEU 94.A N VAL 91.A O no hydrogen 3.171 N/A LEU 96.A N VAL 89.A O no hydrogen 2.914 N/A TYR 98.A N ASP 87.A O no hydrogen 2.846 N/A TYR 98.A OH ASP 135.A O no hydrogen 2.693 N/A LYS 99.A NZ GLY 132.A O no hydrogen 3.384 N/A PHE 100.A N SER 85.A O no hydrogen 2.872 N/A ILE 101.A N LEU 38.A O no hydrogen 2.908 N/A GLU 102.A N PHE 83.A O no hydrogen 2.796 N/A VAL 103.A N VAL 40.A O no hydrogen 2.933 N/A ILE 104.A N SER 81.A O no hydrogen 2.869 N/A ASP 105.A N SER 81.A O no hydrogen 3.086 N/A THR 106.A OG1 THR 47.A OG1 no hydrogen 2.714 N/A ASN 107.A N ASP 105.A OD1 no hydrogen 2.802 N/A PHE 109.A N THR 106.A O no hydrogen 2.893 N/A THR 112.A OG1 SER 77.A OG no hydrogen 2.438 N/A TYR 113.A N PHE 109.A O no hydrogen 2.979 N/A TYR 113.A OH ASP 119.A O no hydrogen 2.636 N/A THR 114.A N GLU 110.A OE1 no hydrogen 2.780 N/A THR 114.A OG1 GLU 110.A OE1 no hydrogen 3.268 N/A THR 114.A OG1 GLU 110.A OE2 no hydrogen 2.730 N/A ALA 115.A N PRO 111.A O no hydrogen 2.970 N/A SER 116.A N TYR 113.A O no hydrogen 3.197 N/A SER 116.A OG THR 112.A O no hydrogen 2.544 N/A ASP 119.A N THR 28.A O no hydrogen 2.783 N/A GLY 120.A N THR 28.A O no hydrogen 3.186 N/A LEU 122.A N ILE 30.A O no hydrogen 2.809 N/A GLY 123.A N ASN 37.A O no hydrogen 2.979 N/A LEU 124.A N ASP 32.A O no hydrogen 2.849 N/A GLY 125.A N SER 35.A O no hydrogen 2.734 N/A TRP 126.A N LEU 189.A O no hydrogen 3.239 N/A LEU 129.A N TRP 126.A O no hydrogen 2.894 N/A SER 130.A N LYS 127.A O no hydrogen 3.009 N/A SER 130.A OG LYS 127.A O no hydrogen 2.710 N/A SER 130.A OG VAL 134.A O no hydrogen 3.555 N/A ILE 131.A N ASN 37.A OD1 no hydrogen 2.894 N/A VAL 134.A N SER 130.A OG no hydrogen 2.922 N/A GLU 140.A N PRO 136.A O no hydrogen 2.960 N/A LEU 141.A N ILE 137.A O no hydrogen 2.861 N/A LYS 142.A N VAL 138.A O no hydrogen 3.127 N/A LYS 142.A NZ ASP 310.A OD1 no hydrogen 2.738 N/A LYS 142.A NZ ASP 310.A OD2 no hydrogen 3.360 N/A ASN 143.A N VAL 139.A O no hydrogen 2.876 N/A GLN 144.A N GLU 140.A O no hydrogen 2.889 N/A ASN 145.A N LYS 142.A O no hydrogen 3.110 N/A LYS 146.A N LEU 141.A O no hydrogen 2.815 N/A ALA 150.A N ASP 310.A OD2 no hydrogen 2.858 N/A PHE 152.A N PHE 307.A O no hydrogen 3.051 N/A THR 153.A N THR 167.A O no hydrogen 2.788 N/A PHE 154.A N THR 305.A O no hydrogen 2.992 N/A TYR 155.A N PHE 165.A O no hydrogen 2.929 N/A TYR 155.A OH LYS 320.A O no hydrogen 2.681 N/A VAL 158.A N HIS 162.A O no hydrogen 3.104 N/A HIS 159.A ND1 ASP 8.A OD2 no hydrogen 2.537 N/A LYS 161.A N VAL 158.A O no hydrogen 3.035 N/A HIS 162.A N VAL 158.A O no hydrogen 3.184 N/A HIS 162.A ND1 THR 163.A O no hydrogen 2.750 N/A THR 163.A OG1 GLU 5.A OE2 no hydrogen 2.803 N/A THR 163.A OG1 LEU 6.A O no hydrogen 2.932 N/A GLY 164.A N LEU 6.A O no hydrogen 3.103 N/A GLY 164.A N THR 163.A OG1 no hydrogen 2.823 N/A PHE 165.A N TYR 155.A O no hydrogen 2.844 N/A LEU 166.A N ILE 4.A O no hydrogen 2.903 N/A THR 167.A N THR 153.A O no hydrogen 2.964 N/A THR 167.A OG1 ASN 3.A OD1 no hydrogen 2.877 N/A ILE 168.A N ASP 2.A O no hydrogen 2.868 N/A GLY 169.A N LEU 151.A O no hydrogen 2.814 N/A ARG 174.A NE GLU 172.A OE1 no hydrogen 2.764 N/A ARG 174.A NH2 GLU 172.A OE1 no hydrogen 3.095 N/A PHE 175.A N GLU 172.A O no hydrogen 3.094 N/A TYR 176.A N GLU 173.A O no hydrogen 3.352 N/A TYR 176.A OH GLU 173.A OE2 no hydrogen 2.858 N/A GLU 177.A N LEU 318.A O no hydrogen 2.825 N/A THR 181.A N ILE 316.A O no hydrogen 3.144 N/A GLU 183.A N VAL 314.A O no hydrogen 2.764 N/A LYS 184.A NZ ASN 311.A O no hydrogen 2.861 N/A LEU 185.A N HIS 312.A O no hydrogen 2.919 N/A ASN 186.A N GLN 192.A O no hydrogen 2.885 N/A ASN 186.A ND2 THR 194.A OG1 no hydrogen 3.023 N/A ASN 186.A ND2 ASN 208.A OD1 no hydrogen 2.948 N/A HIS 187.A ND1 ASN 186.A OD1 no hydrogen 2.966 N/A LEU 189.A N TYR 190.A O no hydrogen 3.415 N/A TYR 190.A N GLN 192.A OE1 no hydrogen 3.168 N/A TRP 191.A NE1 LEU 124.A O no hydrogen 2.769 N/A GLN 192.A NE2 ASN 186.A OD1 no hydrogen 3.220 N/A GLN 192.A NE2 ASN 208.A OD1 no hydrogen 3.285 N/A ILE 193.A N CYS 209.A O no hydrogen 2.839 N/A LEU 195.A N ALA 207.A O no hydrogen 2.993 N/A ASP 196.A N THR 258.A O no hydrogen 2.849 N/A ALA 197.A N LEU 204.A O no hydrogen 2.822 N/A HIS 198.A N GLU 256.A O no hydrogen 2.802 N/A VAL 199.A N ILE 202.A O no hydrogen 2.853 N/A ILE 202.A N VAL 199.A O no hydrogen 2.750 N/A LEU 204.A N ALA 197.A O no hydrogen 2.866 N/A LYS 206.A N ASP 196.A OD1 no hydrogen 2.640 N/A ASN 208.A N PRO 291.A O no hydrogen 3.132 N/A ASN 208.A ND2 THR 292.A OG1 no hydrogen 3.289 N/A CYS 209.A N ILE 193.A O no hydrogen 2.793 N/A CYS 209.A SG ALA 207.A O no hydrogen 3.754 N/A ILE 210.A N PHE 293.A O no hydrogen 2.849 N/A VAL 211.A N TRP 191.A O no hydrogen 2.902 N/A ASP 212.A N LEU 295.A O no hydrogen 3.028 N/A SER 213.A N THR 33.A OG1 no hydrogen 2.806 N/A SER 213.A OG LEU 31.A O no hydrogen 2.544 N/A GLY 214.A N ASP 212.A OD1 no hydrogen 2.939 N/A THR 215.A N ASP 212.A O no hydrogen 3.429 N/A THR 215.A OG1 ASP 212.A OD2 no hydrogen 2.765 N/A ILE 218.A N ASN 282.A O no hydrogen 2.871 N/A THR 219.A N ILE 294.A O no hydrogen 2.991 N/A VAL 220.A N ILE 284.A O no hydrogen 2.872 N/A THR 222.A N ASP 287.A OD1 no hydrogen 2.993 N/A THR 222.A OG1 ASP 287.A OD1 no hydrogen 3.519 N/A THR 222.A OG1 ASP 287.A OD2 no hydrogen 2.651 N/A LEU 225.A N PRO 221.A O no hydrogen 2.833 N/A ASN 226.A N THR 222.A O no hydrogen 2.900 N/A LYS 227.A N ASP 223.A O no hydrogen 2.992 N/A LYS 227.A NZ ASP 223.A OD2 no hydrogen 3.002 N/A MET 228.A N PHE 224.A O no hydrogen 2.862 N/A LEU 229.A N LEU 225.A O no hydrogen 3.171 N/A ILE 235.A N VAL 244.A O no hydrogen 2.902 N/A LYS 236.A NZ VAL 237.A O no hydrogen 3.444 N/A LYS 236.A NZ LEU 240.A O no hydrogen 2.844 N/A VAL 237.A N PHE 242.A O no hydrogen 2.748 N/A LEU 240.A N VAL 237.A O no hydrogen 3.266 N/A VAL 244.A N ILE 235.A O no hydrogen 2.842 N/A THR 245.A N CYS 279.A O no hydrogen 2.739 N/A THR 245.A OG1 ASP 233.A O no hydrogen 3.033 N/A CYS 247.A N GLY 277.A O no hydrogen 3.027 N/A CYS 247.A SG HIS 274.A ND1 no hydrogen 3.589 N/A CYS 247.A SG GLY 277.A O no hydrogen 3.488 N/A ASN 249.A N LEU 246.A O no hydrogen 2.811 N/A ASN 249.A ND2 LEU 232.A O no hydrogen 2.997 N/A ASN 249.A ND2 THR 245.A OG1 no hydrogen 2.720 N/A LYS 251.A N ASN 249.A OD1 no hydrogen 2.778 N/A PHE 255.A N LEU 266.A O no hydrogen 3.025 N/A GLU 256.A N HIS 198.A O no hydrogen 2.878 N/A PHE 257.A N TYR 264.A O no hydrogen 2.746 N/A THR 258.A N ASP 196.A O no hydrogen 2.933 N/A SER 259.A N GLY 262.A O no hydrogen 2.913 N/A SER 259.A OG GLU 183.A OE1 no hydrogen 3.144 N/A SER 259.A OG GLU 183.A OE2 no hydrogen 2.491 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.679 N/A ASN 261.A N SER 259.A OG no hydrogen 3.097 N/A GLY 262.A N SER 259.A OG no hydrogen 2.984 N/A LYS 263.A NZ GLU 256.A OE1 no hydrogen 3.198 N/A TYR 264.A N PHE 257.A O no hydrogen 2.780 N/A TYR 264.A OH GLU 183.A OE2 no hydrogen 2.656 N/A THR 265.A N TYR 303.A OH no hydrogen 2.904 N/A THR 265.A OG1 GLU 267.A OE2 no hydrogen 2.671 N/A LEU 266.A N PHE 255.A O no hydrogen 2.792 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.750 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.977 N/A TYR 270.A N GLU 267.A O no hydrogen 2.949 N/A TYR 271.A N PRO 268.A O no hydrogen 3.097 N/A TYR 271.A OH PRO 253.A O no hydrogen 2.513 N/A LEU 272.A N PRO 268.A O no hydrogen 3.103 N/A GLN 273.A N MET 280.A O no hydrogen 2.862 N/A GLN 273.A NE2 ASN 282.A OD1 no hydrogen 3.513 N/A ILE 275.A N LEU 278.A O no hydrogen 3.016 N/A CYS 279.A N THR 245.A O no hydrogen 2.820 N/A MET 280.A N GLN 273.A O no hydrogen 2.912 N/A LEU 281.A N TYR 243.A O no hydrogen 2.966 N/A ASN 282.A N TYR 271.A O no hydrogen 2.681 N/A ILE 284.A N ILE 218.A O no hydrogen 2.964 N/A LEU 286.A N VAL 220.A O no hydrogen 2.783 N/A THR 292.A OG1 VAL 290.A O no hydrogen 2.516 N/A PHE 293.A N ASN 208.A O no hydrogen 2.813 N/A ILE 294.A N THR 219.A O no hydrogen 3.207 N/A ILE 294.A N THR 219.A OG1 no hydrogen 3.225 N/A LEU 295.A N ILE 210.A O no hydrogen 2.671 N/A ASP 297.A N THR 215.A O no hydrogen 2.874 N/A PHE 299.A N GLY 296.A O no hydrogen 3.035 N/A MET 300.A N GLY 296.A O no hydrogen 3.252 N/A ARG 301.A N ASP 297.A O no hydrogen 2.740 N/A LYS 302.A N PHE 299.A O no hydrogen 3.134 N/A LYS 302.A NZ THR 265.A O no hydrogen 2.862 N/A LYS 302.A NZ GLU 267.A OE1 no hydrogen 2.812 N/A LYS 302.A NZ GLU 267.A OE2 no hydrogen 3.365 N/A LYS 302.A NZ TYR 303.A OH no hydrogen 3.242 N/A TYR 303.A N PHE 299.A O no hydrogen 2.934 N/A TYR 303.A OH THR 265.A O no hydrogen 3.223 N/A THR 305.A N PHE 154.A O no hydrogen 3.312 N/A VAL 306.A N GLY 315.A O no hydrogen 2.796 N/A PHE 307.A N PHE 152.A O no hydrogen 2.841 N/A ASP 308.A N SER 313.A O no hydrogen 2.936 N/A TYR 309.A N ALA 150.A O no hydrogen 2.831 N/A TYR 309.A OH GLY 125.A O no hydrogen 2.882 N/A ASN 311.A N ASP 308.A OD1 no hydrogen 2.961 N/A ASN 311.A ND2 ASP 308.A OD2 no hydrogen 2.808 N/A HIS 312.A N TYR 309.A O no hydrogen 3.356 N/A HIS 312.A ND1 ASP 188.A OD1 no hydrogen 3.026 N/A SER 313.A N ASP 308.A O no hydrogen 3.147 N/A VAL 314.A N GLU 183.A O no hydrogen 2.968 N/A GLY 315.A N VAL 306.A O no hydrogen 2.708 N/A ILE 316.A N THR 181.A O no hydrogen 2.828 N/A ALA 317.A N PHE 304.A O no hydrogen 3.031 N/A ALA 319.A N LYS 302.A O no hydrogen 2.895 N/A LYS 320.A N PHE 175.A O no hydrogen 2.943 N/A LYS 320.A NZ TYR 176.A O no hydrogen 2.900 N/A LEU 323.A N ASN 322.A OD1 no hydrogen 3.192 N/A