Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ku5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LYS 206.A O no hydrogen 2.737 N/A GLN 5.A N GLU 139.A OE1 no hydrogen 2.818 N/A SER 8.A N ALA 194.A O no hydrogen 2.812 N/A SER 8.A OG SER 196.A OG no hydrogen 2.425 N/A ILE 9.A N PRO 203.A O no hydrogen 2.966 N/A ALA 10.A N VAL 192.A O no hydrogen 2.760 N/A GLY 11.A N VAL 192.A O no hydrogen 3.058 N/A LEU 12.A N ASP 76.A OD2 no hydrogen 2.727 N/A ALA 13.A N ALA 190.A O no hydrogen 3.018 N/A HIS 14.A ND1 SER 307.A OG no hydrogen 2.806 N/A ILE 15.A N ALA 188.A O no hydrogen 2.773 N/A HIS 19.A N LEU 55.A O no hydrogen 3.106 N/A HIS 19.A NE2 ASP 57.A OD1 no hydrogen 2.784 N/A LEU 21.A N ARG 53.A O no hydrogen 2.798 N/A SER 23.A N HIS 51.A O no hydrogen 2.999 N/A SER 23.A OG ILE 50.A O no hydrogen 2.689 N/A GLU 25.A N THR 22.A OG1 no hydrogen 2.928 N/A ILE 26.A N THR 22.A O no hydrogen 3.180 N/A ASN 27.A N SER 23.A O no hydrogen 2.823 N/A ASN 27.A ND2 ASP 42.A OD1 no hydrogen 2.908 N/A GLU 28.A N LYS 24.A O no hydrogen 3.185 N/A ARG 29.A N GLU 25.A O no hydrogen 3.331 N/A LEU 30.A N ILE 26.A O no hydrogen 3.022 N/A GLN 31.A NE2 GLN 31.A O no hydrogen 3.516 N/A GLN 31.A NE2 ASP 35.A OD1 no hydrogen 3.064 N/A THR 33.A OG1 MET 165.A O no hydrogen 2.811 N/A TYR 34.A N LEU 30.A O no hydrogen 2.945 N/A TYR 34.A OH ASN 27.A OD1 no hydrogen 2.864 N/A ASP 35.A N GLN 31.A O no hydrogen 2.889 N/A ARG 36.A N PRO 32.A O no hydrogen 3.002 N/A ARG 36.A NH2 VAL 170.A O no hydrogen 2.805 N/A LEU 37.A N THR 33.A O no hydrogen 2.890 N/A GLY 38.A N ASP 35.A O no hydrogen 3.178 N/A ILE 39.A N TYR 34.A O no hydrogen 2.886 N/A LEU 44.A N ASP 42.A OD1 no hydrogen 3.211 N/A GLY 45.A N ASP 42.A OD1 no hydrogen 2.986 N/A ASP 46.A N ASP 42.A O no hydrogen 3.014 N/A VAL 47.A N ASP 42.A O no hydrogen 3.399 N/A ALA 48.A N VAL 43.A O no hydrogen 3.133 N/A ILE 50.A N LEU 44.A O no hydrogen 3.009 N/A HIS 51.A N GLY 292.A O no hydrogen 2.843 N/A ALA 52.A N GLY 292.A O no hydrogen 3.014 N/A ARG 53.A N LEU 21.A O no hydrogen 3.018 N/A ARG 53.A NE TYR 158.A OH no hydrogen 2.770 N/A ARG 53.A NH1 LEU 21.A O no hydrogen 2.914 N/A ARG 53.A NH1 SER 23.A OG no hydrogen 3.206 N/A ARG 53.A NH2 SER 23.A OG no hydrogen 3.283 N/A ARG 53.A NH2 LEU 182.A O no hydrogen 2.662 N/A ARG 54.A NH1 ALA 17.A O no hydrogen 2.942 N/A LEU 55.A N HIS 19.A O no hydrogen 2.664 N/A TRP 56.A N ASN 155.A OD1 no hydrogen 3.136 N/A TRP 56.A NE1 GLU 152.A O no hydrogen 2.749 N/A VAL 60.A N ASP 57.A O no hydrogen 3.294 N/A GLN 61.A N ASP 64.A OD2 no hydrogen 2.847 N/A SER 63.A N ASP 95.A OD1 no hydrogen 3.134 N/A SER 63.A OG ASP 95.A OD2 no hydrogen 2.594 N/A ALA 65.A N GLN 61.A O no hydrogen 3.150 N/A ALA 66.A N ALA 62.A O no hydrogen 2.956 N/A THR 67.A N SER 63.A O no hydrogen 2.855 N/A THR 67.A OG1 SER 63.A O no hydrogen 2.709 N/A GLN 68.A N ASP 64.A O no hydrogen 3.125 N/A ALA 69.A N ALA 65.A O no hydrogen 3.247 N/A ALA 70.A N ALA 66.A O no hydrogen 3.013 N/A ARG 71.A N THR 67.A O no hydrogen 3.144 N/A ARG 71.A NH2 ASN 108.A O no hydrogen 3.295 N/A LYS 72.A N GLN 68.A O no hydrogen 3.402 N/A LYS 72.A NZ HIS 14.A O no hydrogen 3.424 N/A ALA 73.A N ALA 69.A O no hydrogen 2.893 N/A LEU 74.A N ALA 70.A O no hydrogen 2.953 N/A ILE 75.A N ARG 71.A O no hydrogen 3.219 N/A ASP 76.A N LYS 72.A O no hydrogen 3.030 N/A ALA 77.A N ALA 73.A O no hydrogen 2.986 N/A ASN 78.A N ILE 75.A O no hydrogen 2.893 N/A ILE 79.A N LEU 74.A O no hydrogen 3.054 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.666 N/A LYS 83.A N GLY 80.A O no hydrogen 3.050 N/A ILE 84.A N ILE 81.A O no hydrogen 3.139 N/A GLY 85.A N TYR 145.A O no hydrogen 2.955 N/A LEU 87.A N MET 116.A O no hydrogen 2.845 N/A ILE 88.A N LEU 147.A O no hydrogen 2.881 N/A ASN 89.A N PHE 118.A O no hydrogen 3.238 N/A THR 90.A N VAL 149.A O no hydrogen 2.884 N/A THR 90.A OG1 VAL 149.A O no hydrogen 3.474 N/A THR 90.A OG1 ASP 150.A OD2 no hydrogen 2.777 N/A SER 91.A N ASN 89.A OD1 no hydrogen 3.353 N/A SER 91.A OG ASN 89.A OD1 no hydrogen 3.006 N/A SER 91.A OG SER 93.A O no hydrogen 2.586 N/A VAL 92.A N GLU 152.A OE2 no hydrogen 3.034 N/A SER 93.A N GLU 152.A OE1 no hydrogen 3.099 N/A SER 93.A OG GLU 152.A OE1 no hydrogen 3.048 N/A SER 93.A OG THR 153.A O no hydrogen 3.359 N/A SER 93.A OG THR 153.A OG1.A no hydrogen 3.090 N/A ARG 94.A NE TYR 96.A O no hydrogen 2.833 N/A ARG 94.A NH1 ASP 119.A OD2 no hydrogen 3.336 N/A ARG 94.A NH2 TYR 96.A O no hydrogen 3.410 N/A ARG 94.A NH2 ASP 119.A OD2 no hydrogen 2.945 N/A SER 100.A OG SER 103.A OG.B no hydrogen 2.966 N/A THR 101.A N ASP 119.A OD2 no hydrogen 2.737 N/A ALA 102.A N ASP 119.A OD1 no hydrogen 2.739 N/A SER 103.A N.A SER 100.A OG no hydrogen 3.078 N/A SER 103.A N.B SER 100.A OG no hydrogen 3.037 N/A SER 103.A OG.A SER 100.A O no hydrogen 2.868 N/A SER 103.A OG.B SER 100.A OG no hydrogen 2.966 N/A VAL 105.A N THR 101.A O no hydrogen 2.947 N/A SER 106.A N ALA 102.A O no hydrogen 2.789 N/A SER 106.A OG ALA 102.A O no hydrogen 2.707 N/A GLY 107.A N SER 103.A O.A no hydrogen 3.029 N/A GLY 107.A N SER 103.A O.B no hydrogen 2.949 N/A ASN 108.A N ILE 104.A O no hydrogen 3.013 N/A ASN 108.A ND2 THR 67.A OG1 no hydrogen 3.080 N/A LEU 109.A N VAL 105.A O no hydrogen 2.969 N/A GLY 110.A N SER 106.A O no hydrogen 3.004 N/A VAL 111.A N SER 106.A O no hydrogen 3.212 N/A HIS 114.A N SER 112.A OG no hydrogen 3.032 N/A HIS 114.A ND1 ASP 113.A OD1 no hydrogen 2.772 N/A CYS 115.A N SER 112.A O no hydrogen 3.077 N/A CYS 115.A SG ILE 84.A O no hydrogen 3.760 N/A CYS 115.A SG MET 116.A O no hydrogen 3.964 N/A MET 116.A N GLY 85.A O no hydrogen 3.111 N/A PHE 118.A N LEU 87.A O no hydrogen 3.364 N/A VAL 120.A N ASN 89.A O no hydrogen 2.926 N/A ASN 122.A ND2 ASN 129.A OD1 no hydrogen 2.720 N/A SER 124.A OG.A ILE 326.A O no hydrogen 3.255 N/A SER 124.A OG.B HIS 266.A NE2 no hydrogen 2.992 N/A LEU 125.A N ASN 122.A O no hydrogen 3.324 N/A ASN 129.A N LEU 125.A O no hydrogen 3.181 N/A GLY 130.A N ALA 126.A O no hydrogen 2.795 N/A MET 131.A N PHE 127.A O no hydrogen 2.933 N/A ASP 132.A N ILE 128.A O no hydrogen 2.942 N/A ILE 133.A N ASN 129.A O no hydrogen 3.024 N/A ALA 134.A N GLY 130.A O no hydrogen 2.964 N/A ALA 135.A N MET 131.A O no hydrogen 2.833 N/A ARG 136.A N ASP 132.A O no hydrogen 3.131 N/A LEU 138.A N ALA 134.A O no hydrogen 2.967 N/A GLU 139.A N ALA 135.A O no hydrogen 2.859 N/A ARG 140.A N ARG 136.A O no hydrogen 3.434 N/A GLY 141.A N LEU 138.A O no hydrogen 2.975 N/A GLU 142.A N MET 137.A O no hydrogen 3.037 N/A ALA 146.A N MET 193.A O no hydrogen 2.835 N/A LEU 147.A N LEU 86.A O no hydrogen 2.733 N/A VAL 148.A N MET 191.A O no hydrogen 2.995 N/A VAL 149.A N ILE 88.A O no hydrogen 2.853 N/A ASP 150.A N ALA 189.A O no hydrogen 2.919 N/A GLU 152.A N GLY 187.A O no hydrogen 2.903 N/A THR 153.A N SER 93.A OG no hydrogen 2.864 N/A THR 153.A OG1.A SER 93.A OG no hydrogen 3.090 N/A ASN 155.A ND2 TRP 56.A O no hydrogen 2.883 N/A TYR 158.A N ALA 154.A O no hydrogen 3.040 N/A TYR 158.A OH LEU 184.A O no hydrogen 2.557 N/A GLU 159.A N ASN 155.A O no hydrogen 3.025 N/A LYS 160.A N LEU 156.A O no hydrogen 2.977 N/A THR 161.A N VAL 157.A O no hydrogen 3.030 N/A THR 161.A OG1 VAL 157.A O no hydrogen 2.674 N/A LEU 162.A N TYR 158.A O no hydrogen 3.001 N/A GLU 163.A N GLU 159.A O no hydrogen 3.265 N/A ARG 164.A N LYS 160.A O no hydrogen 2.972 N/A ARG 164.A NE GLU 178.A OE2 no hydrogen 2.927 N/A ARG 164.A NH1 ASP 225.A O no hydrogen 3.139 N/A ARG 164.A NH2 GLU 178.A OE2 no hydrogen 3.215 N/A ARG 164.A NH2 ASP 225.A O no hydrogen 3.062 N/A MET 165.A N THR 161.A O no hydrogen 2.852 N/A THR 166.A N LEU 162.A O no hydrogen 3.131 N/A THR 166.A N GLU 163.A O no hydrogen 3.279 N/A THR 166.A OG1 LEU 162.A O no hydrogen 2.697 N/A THR 166.A OG1 GLU 163.A O no hydrogen 3.068 N/A SER 167.A N ARG 164.A O no hydrogen 3.144 N/A SER 167.A OG ARG 164.A O no hydrogen 3.230 N/A SER 167.A OG ASP 169.A OD1 no hydrogen 2.772 N/A VAL 170.A N SER 167.A O no hydrogen 3.292 N/A GLU 174.A N THR 171.A OG1 no hydrogen 3.063 N/A PHE 175.A N THR 171.A O no hydrogen 2.938 N/A ARG 176.A N GLU 172.A O no hydrogen 3.029 N/A ASN 177.A N GLU 173.A O no hydrogen 2.955 N/A GLU 178.A N GLU 174.A O no hydrogen 3.207 N/A GLU 178.A N PHE 175.A O no hydrogen 3.373 N/A ALA 181.A N GLU 178.A O no hydrogen 3.026 N/A LEU 182.A N LEU 179.A O no hydrogen 2.919 N/A THR 183.A N ALA 180.A O no hydrogen 2.974 N/A THR 183.A OG1 ALA 180.A O no hydrogen 2.625 N/A LEU 184.A N ALA 181.A O no hydrogen 3.370 N/A GLY 185.A N ASN 296.A O no hydrogen 2.937 N/A CYS 186.A N ARG 54.A O no hydrogen 2.918 N/A CYS 186.A SG ASN 155.A OD1 no hydrogen 3.448 N/A ALA 188.A N ILE 15.A O no hydrogen 3.110 N/A ALA 189.A N ASP 150.A O no hydrogen 2.847 N/A ALA 190.A N ALA 13.A O no hydrogen 3.028 N/A MET 191.A N VAL 148.A O no hydrogen 2.911 N/A VAL 192.A N GLY 11.A O no hydrogen 2.756 N/A MET 193.A N ALA 146.A O no hydrogen 2.937 N/A ALA 194.A N SER 8.A O no hydrogen 2.920 N/A ARG 195.A N ASP 144.A O no hydrogen 3.227 N/A ARG 195.A NE ASP 144.A OD1 no hydrogen 2.759 N/A ARG 195.A NH2 ASP 144.A OD1 no hydrogen 2.898 N/A SER 196.A N ASN 6.A O no hydrogen 2.888 N/A SER 196.A OG SER 8.A OG no hydrogen 2.425 N/A GLU 197.A N GLU 197.A OE2 no hydrogen 2.711 N/A LEU 198.A N ARG 195.A O no hydrogen 2.996 N/A VAL 199.A N SER 196.A O no hydrogen 2.981 N/A ALA 202.A N VAL 199.A O no hydrogen 3.086 N/A ARG 204.A N VAL 338.A O no hydrogen 2.802 N/A TYR 205.A N VAL 7.A O no hydrogen 3.036 N/A TYR 205.A OH ASP 132.A OD1 no hydrogen 2.548 N/A LYS 206.A N GLU 336.A O no hydrogen 3.005 N/A VAL 209.A N MET 334.A O no hydrogen 2.786 N/A THR 210.A OG1 SER 333.A OG no hydrogen 3.158 N/A ARG 211.A N CYS 332.A O no hydrogen 2.950 N/A ARG 211.A NH1 THR 210.A O no hydrogen 2.913 N/A ALA 213.A N LEU 330.A O no hydrogen 2.843 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.740 N/A TRP 216.A N ALA 213.A O no hydrogen 3.173 N/A ASN 217.A N THR 214.A O no hydrogen 3.336 N/A ASN 217.A ND2 THR 214.A O no hydrogen 2.835 N/A LEU 219.A N TRP 216.A O no hydrogen 3.300 N/A CYS 220.A SG THR 229.A OG1 no hydrogen 3.654 N/A ARG 221.A N VAL 228.A O no hydrogen 2.899 N/A ARG 221.A NH1 ASN 217.A OD1 no hydrogen 3.252 N/A ARG 221.A NH2 ASN 217.A OD1 no hydrogen 3.510 N/A ASN 223.A N ARG 226.A O no hydrogen 2.767 N/A ARG 226.A NH1 GLU 178.A OE1 no hydrogen 3.155 N/A VAL 228.A N ARG 221.A O no hydrogen 2.902 N/A THR 229.A N ASN 177.A O no hydrogen 2.878 N/A ASP 230.A N LEU 219.A O no hydrogen 2.802 N/A LEU 233.A N ASP 230.A OD1 no hydrogen 3.146 N/A LEU 234.A N ASP 230.A O no hydrogen 2.995 N/A LEU 235.A N THR 231.A O no hydrogen 3.162 N/A ILE 236.A N ARG 232.A O no hydrogen 3.304 N/A GLU 237.A N LEU 233.A O no hydrogen 2.902 N/A GLY 238.A N LEU 234.A O no hydrogen 2.839 N/A ILE 239.A N LEU 235.A O no hydrogen 3.178 N/A LYS 240.A N ILE 236.A O no hydrogen 3.366 N/A LEU 241.A N GLU 237.A O no hydrogen 3.058 N/A ALA 242.A N GLY 238.A O no hydrogen 2.782 N/A GLN 243.A N ILE 239.A O no hydrogen 2.918 N/A GLN 243.A N LYS 240.A O no hydrogen 3.165 N/A LYS 244.A N LYS 240.A O no hydrogen 3.397 N/A THR 245.A N LEU 241.A O no hydrogen 3.118 N/A THR 245.A OG1 LEU 241.A O no hydrogen 2.917 N/A PHE 246.A N ALA 242.A O no hydrogen 3.023 N/A VAL 247.A N GLN 243.A O no hydrogen 3.322 N/A ALA 248.A N LYS 244.A O no hydrogen 3.153 N/A ALA 249.A N THR 245.A O no hydrogen 2.759 N/A LYS 250.A N PHE 246.A O no hydrogen 2.947 N/A GLN 251.A N VAL 247.A O no hydrogen 3.337 N/A VAL 252.A N ALA 248.A O no hydrogen 3.105 N/A LEU 253.A N ALA 249.A O no hydrogen 3.004 N/A TRP 255.A NE1 GLU 336.A OE1 no hydrogen 2.951 N/A GLU 259.A N ALA 256.A O no hydrogen 2.815 N/A LEU 260.A N VAL 257.A O no hydrogen 3.296 N/A ASP 261.A N ARG 320.A O no hydrogen 2.886 N/A GLN 262.A N ARG 320.A O no hydrogen 3.375 N/A PHE 263.A N LYS 286.A O no hydrogen 2.858 N/A VAL 264.A N ALA 322.A O no hydrogen 2.684 N/A HIS 266.A N LEU 324.A O no hydrogen 2.853 N/A HIS 266.A NE2 ASN 296.A OD1 no hydrogen 3.052 N/A GLN 267.A NE2.A THR 289.A OG1 no hydrogen 2.877 N/A SER 269.A OG HIS 272.A ND1.B no hydrogen 2.985 N/A ARG 270.A N ALA 48.A O no hydrogen 2.986 N/A ARG 270.A NH2 ASP 46.A O no hydrogen 3.119 N/A HIS 272.A N SER 269.A OG no hydrogen 3.241 N/A THR 273.A N SER 269.A O no hydrogen 3.008 N/A THR 273.A OG1 SER 269.A O no hydrogen 3.242 N/A ALA 274.A N ARG 270.A O no hydrogen 3.027 N/A ALA 275.A N PRO 271.A O no hydrogen 3.002 N/A PHE 276.A N HIS 272.A O no hydrogen 2.955 N/A VAL 277.A N THR 273.A O no hydrogen 2.902 N/A LYS 278.A N ALA 274.A O no hydrogen 2.946 N/A SER 279.A N ALA 275.A O no hydrogen 2.915 N/A SER 279.A OG ALA 275.A O no hydrogen 3.264 N/A PHE 280.A N PHE 276.A O no hydrogen 3.249 N/A GLY 281.A N LYS 278.A O no hydrogen 3.398 N/A ILE 282.A N VAL 277.A O no hydrogen 2.992 N/A ALA 285.A N ASP 283.A OD1 no hydrogen 3.120 N/A LYS 286.A N ASP 283.A O no hydrogen 2.871 N/A LYS 286.A NZ LEU 260.A O no hydrogen 3.115 N/A VAL 287.A N PRO 284.A O no hydrogen 3.037 N/A PHE 291.A N THR 289.A OG1 no hydrogen 3.273 N/A GLU 293.A N ILE 290.A O no hydrogen 3.261 N/A HIS 294.A N ILE 290.A O no hydrogen 2.796 N/A GLY 295.A N PHE 291.A O no hydrogen 2.792 N/A ASN 296.A N THR 183.A O no hydrogen 2.792 N/A ILE 297.A N SER 301.A OG no hydrogen 3.110 N/A GLY 298.A N ASN 296.A OD1 no hydrogen 2.870 N/A ALA 300.A N ILE 297.A O no hydrogen 3.284 N/A SER 301.A N GLY 298.A O no hydrogen 2.978 N/A SER 301.A OG GLY 298.A O no hydrogen 2.732 N/A ILE 304.A N ALA 300.A O no hydrogen 2.883 N/A VAL 305.A N SER 301.A O no hydrogen 2.911 N/A LEU 306.A N VAL 302.A O no hydrogen 3.005 N/A SER 307.A N PRO 303.A O no hydrogen 2.900 N/A SER 307.A OG HIS 14.A ND1 no hydrogen 2.806 N/A LYS 308.A N ILE 304.A O no hydrogen 2.920 N/A LYS 308.A NZ ASP 16.A OD1 no hydrogen 3.390 N/A LYS 308.A NZ ASP 16.A OD2 no hydrogen 2.854 N/A LEU 309.A N VAL 305.A O no hydrogen 2.809 N/A LYS 310.A N LEU 306.A O no hydrogen 2.909 N/A LYS 310.A NZ ASP 76.A OD1 no hydrogen 3.547 N/A LYS 310.A NZ ASP 76.A OD2 no hydrogen 3.117 N/A GLU 311.A N SER 307.A O no hydrogen 2.934 N/A LEU 312.A N LYS 308.A O no hydrogen 2.896 N/A GLY 313.A N LYS 310.A O no hydrogen 3.074 N/A ARG 314.A N LEU 309.A O no hydrogen 3.161 N/A LYS 316.A N ASP 319.A OD2 no hydrogen 2.859 N/A LYS 317.A NZ ASP 201.A O no hydrogen 3.356 N/A GLY 318.A N TRP 339.A OXT no hydrogen 2.800 N/A ASP 319.A N LYS 316.A O no hydrogen 3.041 N/A ARG 320.A N ASP 261.A OD2 no hydrogen 2.789 N/A ARG 320.A NE GLU 336.A OE2 no hydrogen 2.969 N/A ARG 320.A NH1 GLU 336.A OE1 no hydrogen 3.395 N/A ARG 320.A NH1 GLU 336.A OE2 no hydrogen 3.462 N/A ILE 321.A N VAL 337.A O no hydrogen 2.793 N/A ALA 322.A N GLN 262.A O no hydrogen 2.885 N/A LEU 323.A N ALA 335.A O no hydrogen 2.731 N/A LEU 324.A N VAL 264.A O no hydrogen 2.811 N/A GLY 325.A N SER 333.A O no hydrogen 3.171 N/A GLY 327.A N ASN 331.A O no hydrogen 2.768 N/A LEU 330.A N ALA 213.A O no hydrogen 2.926 N/A ASN 331.A N GLY 327.A O no hydrogen 2.865 N/A CYS 332.A N ARG 211.A O no hydrogen 2.950 N/A CYS 332.A SG THR 245.A OG1 no hydrogen 3.289 N/A CYS 332.A SG GLY 325.A O no hydrogen 3.362 N/A SER 333.A N GLY 325.A O no hydrogen 3.117 N/A SER 333.A OG THR 210.A OG1 no hydrogen 3.158 N/A MET 334.A N VAL 209.A O no hydrogen 2.938 N/A ALA 335.A N LEU 323.A O no hydrogen 2.962 N/A GLU 336.A N GLY 207.A O no hydrogen 3.048 N/A VAL 337.A N ILE 321.A O no hydrogen 2.819 N/A VAL 338.A N ARG 204.A O no hydrogen 2.789 N/A TRP 339.A N ASP 319.A O no hydrogen 2.974 N/A