Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ku8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 257.A O no hydrogen 2.804 N/A ALA 8.A N TYR 178.A OH no hydrogen 2.833 N/A ARG 9.A NE GLN 306.A O no hydrogen 2.928 N/A ARG 9.A NH1 GLU 313.A OE2 no hydrogen 2.884 N/A ARG 9.A NH2 ARG 308.A O no hydrogen 2.800 N/A ARG 9.A NH2 GLU 313.A OE1 no hydrogen 2.836 N/A TYR 11.A OH ASP 141.A OD1 no hydrogen 2.714 N/A THR 12.A OG1 ALA 8.A O no hydrogen 2.761 N/A HIS 17.A N ASP 13.A O no hydrogen 3.069 N/A ARG 18.A N ASN 15.A O no hydrogen 3.133 N/A TYR 22.A N PRO 19.A O no hydrogen 3.042 N/A TYR 22.A OH MET 146.A O no hydrogen 2.641 N/A TRP 23.A N ARG 20.A O no hydrogen 3.070 N/A ASP 24.A N ARG 20.A O no hydrogen 2.733 N/A TYR 25.A OH GLU 176.A OE1 no hydrogen 2.736 N/A SER 27.A N ASP 24.A O no hydrogen 3.029 N/A SER 27.A OG ASP 24.A O no hydrogen 2.929 N/A SER 27.A OG ASP 24.A OD2 no hydrogen 2.951 N/A HIS 28.A N TYR 25.A O no hydrogen 3.096 N/A GLY 33.A N ILE 99.A O no hydrogen 2.732 N/A ASP 37.A N ASN 34.A O no hydrogen 3.192 N/A TYR 38.A N GLN 35.A O no hydrogen 3.262 N/A TYR 38.A OH ASP 98.A OD2 no hydrogen 2.639 N/A GLN 39.A N ILE 56.A O no hydrogen 3.067 N/A VAL 41.A N GLU 54.A O no hydrogen 2.785 N/A ARG 42.A N GLU 54.A O no hydrogen 3.479 N/A ARG 42.A NE GLU 54.A OE2 no hydrogen 3.300 N/A ARG 42.A NH2 GLU 54.A OE1 no hydrogen 3.414 N/A LYS 43.A NZ GLU 51.A OE2 no hydrogen 2.864 N/A LEU 44.A N VAL 52.A O no hydrogen 2.820 N/A GLY 45.A N VAL 52.A O no hydrogen 3.370 N/A GLY 47.A N SER 50.A O no hydrogen 2.812 N/A LYS 48.A NZ TYR 49.A OH no hydrogen 2.931 N/A GLU 51.A N ILE 68.A O no hydrogen 3.058 N/A VAL 52.A N GLY 45.A O no hydrogen 2.912 N/A PHE 53.A N VAL 66.A O no hydrogen 2.807 N/A GLU 54.A N ARG 42.A O no hydrogen 2.893 N/A ALA 55.A N VAL 64.A O no hydrogen 2.950 N/A ILE 56.A N GLN 39.A O no hydrogen 2.871 N/A ASN 57.A N GLU 62.A O no hydrogen 2.784 N/A ILE 58.A N ASP 37.A O no hydrogen 2.773 N/A THR 59.A N ASN 57.A OD1 no hydrogen 3.126 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 2.753 N/A ASN 60.A ND2 GLU 62.A OE1 no hydrogen 3.202 N/A GLU 62.A N ASN 60.A OD1 no hydrogen 3.011 N/A VAL 64.A N ALA 55.A O no hydrogen 2.910 N/A VAL 65.A N PHE 109.A O no hydrogen 3.026 N/A VAL 66.A N PHE 53.A O no hydrogen 2.760 N/A LYS 67.A N LEU 107.A O no hydrogen 2.836 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.802 N/A LYS 67.A NZ ASP 171.A OD1 no hydrogen 3.302 N/A ILE 68.A N GLU 51.A O no hydrogen 2.793 N/A LEU 69.A N PRO 105.A O no hydrogen 3.037 N/A LYS 70.A N TYR 49.A O no hydrogen 2.866 N/A LYS 70.A NZ GLY 47.A O no hydrogen 2.749 N/A LYS 75.A NZ GLU 26.A OE1 no hydrogen 3.506 N/A LYS 76.A N LYS 73.A O no hydrogen 2.936 N/A ILE 77.A N LYS 73.A O no hydrogen 3.137 N/A LYS 78.A N LYS 74.A O no hydrogen 2.978 N/A LYS 78.A NZ HIS 28.A O no hydrogen 2.811 N/A ARG 79.A N LYS 75.A O no hydrogen 2.819 N/A ARG 79.A NH1 GLY 173.A O no hydrogen 3.360 N/A ARG 79.A NH2 GLU 176.A OE1 no hydrogen 3.071 N/A GLU 80.A N LYS 76.A O no hydrogen 3.132 N/A ILE 81.A N ILE 77.A O no hydrogen 3.113 N/A LYS 82.A N LYS 78.A O no hydrogen 2.959 N/A LYS 82.A NZ GLU 21.A O no hydrogen 3.166 N/A ILE 83.A N ARG 79.A O no hydrogen 3.075 N/A LEU 84.A N GLU 80.A O no hydrogen 3.016 N/A GLU 85.A N ILE 81.A O no hydrogen 2.886 N/A ASN 86.A N LYS 82.A O no hydrogen 2.889 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 2.949 N/A LEU 87.A N ILE 83.A O no hydrogen 2.965 N/A ARG 88.A NE LEU 96.A O no hydrogen 3.057 N/A ARG 88.A NH2 LEU 96.A O no hydrogen 2.994 N/A GLY 90.A N LEU 87.A O no hydrogen 2.922 N/A ASN 92.A ND2 GLU 135.A O no hydrogen 2.905 N/A ASN 92.A ND2 GLU 135.A OE1 no hydrogen 3.117 N/A ILE 94.A N LEU 169.A O no hydrogen 3.348 N/A THR 95.A N GLU 110.A OE2 no hydrogen 2.967 N/A THR 95.A OG1 GLU 110.A OE2 no hydrogen 3.333 N/A ALA 97.A N VAL 108.A O no hydrogen 2.741 N/A ASP 98.A N VAL 108.A O no hydrogen 3.251 N/A ILE 99.A N ASP 98.A OD1 no hydrogen 2.855 N/A VAL 100.A N ALA 106.A O no hydrogen 3.050 N/A ASP 102.A N THR 104.A O no hydrogen 2.761 N/A THR 104.A OG1 LEU 69.A O no hydrogen 2.889 N/A ALA 106.A N VAL 100.A O no hydrogen 2.873 N/A LEU 107.A N LYS 67.A O no hydrogen 2.959 N/A VAL 108.A N ASP 98.A O no hydrogen 2.815 N/A PHE 109.A N VAL 65.A O no hydrogen 2.756 N/A GLU 110.A N THR 95.A O no hydrogen 3.001 N/A HIS 111.A NE2 GLU 54.A OE1 no hydrogen 2.983 N/A ASN 114.A N VAL 112.A O no hydrogen 2.819 N/A THR 115.A N ILE 160.A O no hydrogen 2.881 N/A THR 115.A OG1 ILE 160.A O no hydrogen 3.008 N/A LEU 120.A N ASP 116.A O no hydrogen 2.769 N/A TYR 121.A N PHE 117.A O no hydrogen 2.969 N/A THR 123.A N LEU 120.A O no hydrogen 2.990 N/A THR 123.A OG1 GLN 119.A O no hydrogen 3.308 N/A THR 123.A OG1 LEU 120.A O no hydrogen 2.800 N/A LEU 124.A N LEU 120.A O no hydrogen 3.179 N/A THR 125.A N ASP 128.A OD2 no hydrogen 2.857 N/A TYR 127.A OH ASP 326.A OD2 no hydrogen 2.832 N/A ASP 128.A N THR 125.A OG1 no hydrogen 3.277 N/A ILE 129.A N THR 125.A O no hydrogen 3.287 N/A ARG 130.A N ASP 126.A O no hydrogen 3.219 N/A ARG 130.A NE ASP 126.A OD1 no hydrogen 2.941 N/A ARG 130.A NE ASP 126.A OD2 no hydrogen 3.357 N/A ARG 130.A NH1 GLU 292.A OE2 no hydrogen 3.113 N/A ARG 130.A NH1 TYR 319.A O no hydrogen 3.102 N/A ARG 130.A NH2 ASP 126.A OD1 no hydrogen 3.289 N/A ARG 130.A NH2 ASP 126.A OD2 no hydrogen 2.812 N/A PHE 131.A N TYR 127.A O no hydrogen 2.814 N/A TYR 132.A N ASP 128.A O no hydrogen 2.895 N/A TYR 132.A OH HIS 162.A ND1 no hydrogen 2.797 N/A MET 133.A N ILE 129.A O no hydrogen 2.842 N/A TYR 134.A N ARG 130.A O no hydrogen 3.034 N/A GLU 135.A N PHE 131.A O no hydrogen 3.153 N/A ILE 136.A N TYR 132.A O no hydrogen 2.966 N/A LEU 137.A N MET 133.A O no hydrogen 3.043 N/A LYS 138.A N TYR 134.A O no hydrogen 3.124 N/A LYS 138.A NZ GLU 135.A OE1 no hydrogen 3.286 N/A LYS 138.A NZ GLU 135.A OE2 no hydrogen 3.396 N/A LYS 138.A NZ GLN 327.A OE1 no hydrogen 2.931 N/A ALA 139.A N GLU 135.A O no hydrogen 3.406 N/A LEU 140.A N ILE 136.A O no hydrogen 2.856 N/A ASP 141.A N LEU 137.A O no hydrogen 2.784 N/A TYR 142.A N LYS 138.A O no hydrogen 3.012 N/A CYS 143.A N ALA 139.A O no hydrogen 2.945 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.660 N/A CYS 143.A SG LEU 140.A O no hydrogen 3.613 N/A CYS 143.A SG ILE 148.A O no hydrogen 3.569 N/A HIS 144.A N LEU 140.A O no hydrogen 3.024 N/A HIS 144.A NE2 ASP 210.A OD2 no hydrogen 2.813 N/A SER 145.A N ASP 141.A O no hydrogen 3.071 N/A SER 145.A OG ASP 141.A O no hydrogen 3.293 N/A SER 145.A OG TYR 142.A O no hydrogen 2.867 N/A MET 146.A N TYR 142.A O no hydrogen 3.100 N/A MET 146.A N CYS 143.A O no hydrogen 3.172 N/A GLY 147.A N HIS 144.A O no hydrogen 3.056 N/A ILE 148.A N CYS 143.A O no hydrogen 2.809 N/A MET 149.A N GLU 176.A O no hydrogen 2.888 N/A HIS 150.A N ASP 210.A OD2 no hydrogen 2.922 N/A HIS 150.A NE2 ILE 170.A O no hydrogen 2.958 N/A ARG 151.A N ASP 210.A OD1 no hydrogen 2.819 N/A ARG 151.A NE LEU 174.A O no hydrogen 2.709 N/A ARG 151.A NH1 TYR 205.A OH no hydrogen 2.981 N/A ARG 151.A NH2 LEU 174.A O no hydrogen 2.829 N/A ASP 152.A N HIS 150.A ND1 no hydrogen 3.100 N/A LYS 154.A NZ SER 190.A OG no hydrogen 2.742 N/A ASN 157.A N LYS 154.A O no hydrogen 2.994 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.813 N/A ASN 157.A ND2 ASP 152.A OD2 no hydrogen 3.152 N/A VAL 158.A N PRO 155.A O no hydrogen 3.154 N/A MET 159.A N ARG 168.A O no hydrogen 2.870 N/A ILE 160.A N ASN 114.A OD1 no hydrogen 3.093 N/A ASP 161.A N LYS 166.A O no hydrogen 2.854 N/A HIS 162.A N THR 115.A OG1 no hydrogen 3.143 N/A HIS 162.A ND1 TYR 132.A OH no hydrogen 2.797 N/A HIS 164.A N ASP 161.A O no hydrogen 3.218 N/A HIS 164.A ND1 ASP 161.A OD2 no hydrogen 2.977 N/A ARG 165.A N HIS 162.A O no hydrogen 3.000 N/A ARG 165.A NH2 ASP 128.A OD1 no hydrogen 2.806 N/A LYS 166.A N ASP 161.A O no hydrogen 3.030 N/A ARG 168.A N MET 159.A O no hydrogen 2.841 N/A ARG 168.A NE GLU 110.A OE1 no hydrogen 2.924 N/A ARG 168.A NE GLU 110.A OE2 no hydrogen 3.474 N/A ARG 168.A NH1 LEU 167.A O no hydrogen 2.919 N/A LEU 169.A N ASN 92.A O no hydrogen 2.796 N/A ILE 170.A N ASN 157.A O no hydrogen 2.795 N/A TRP 172.A NE1 LEU 169.A O no hydrogen 2.930 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 3.290 N/A ALA 175.A N TRP 172.A O no hydrogen 3.309 N/A GLU 176.A N MET 149.A O no hydrogen 2.881 N/A PHE 177.A N GLU 176.A OE2 no hydrogen 2.851 N/A TYR 178.A N GLY 147.A O no hydrogen 2.750 N/A HIS 179.A N TYR 184.A OH no hydrogen 2.791 N/A GLN 182.A N HIS 179.A O no hydrogen 3.016 N/A TYR 184.A N GLN 203.A O no hydrogen 2.908 N/A TYR 184.A OH PHE 177.A O no hydrogen 2.730 N/A ARG 187.A N ASN 185.A OD1 no hydrogen 2.958 N/A ARG 191.A NH2 GLY 231.A O no hydrogen 2.886 N/A PHE 193.A N SER 190.A O no hydrogen 2.932 N/A LYS 194.A N ARG 191.A O no hydrogen 3.227 N/A LYS 194.A NZ VAL 188.A O no hydrogen 2.892 N/A LYS 194.A NZ ALA 189.A O no hydrogen 3.498 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.793 N/A LEU 198.A N GLY 195.A O no hydrogen 3.003 N/A LEU 199.A N GLY 195.A O no hydrogen 3.318 N/A VAL 200.A N PRO 196.A O no hydrogen 2.949 N/A ASP 201.A N LEU 198.A O no hydrogen 3.171 N/A TYR 202.A N GLU 197.A O no hydrogen 2.697 N/A TYR 202.A OH VAL 4.A O no hydrogen 2.712 N/A GLN 203.A NE2 TYR 184.A O no hydrogen 3.204 N/A TYR 205.A OH ASN 185.A O no hydrogen 2.653 N/A TYR 207.A OH TYR 11.A O no hydrogen 2.666 N/A SER 208.A N ASP 206.A OD1 no hydrogen 3.041 N/A SER 208.A OG ASP 206.A OD1 no hydrogen 2.708 N/A LEU 209.A N ASP 206.A O no hydrogen 3.022 N/A ASP 210.A N TYR 207.A O no hydrogen 3.022 N/A MET 211.A N SER 208.A O no hydrogen 3.164 N/A TRP 212.A N SER 208.A O no hydrogen 3.398 N/A SER 213.A N LEU 209.A O no hydrogen 3.373 N/A SER 213.A OG PHE 193.A O no hydrogen 3.120 N/A SER 213.A OG LEU 209.A O no hydrogen 3.434 N/A LEU 214.A N ASP 210.A O no hydrogen 3.031 N/A GLY 215.A N MET 211.A O no hydrogen 3.034 N/A CYS 216.A N TRP 212.A O no hydrogen 3.009 N/A CYS 216.A SG TYR 192.A O no hydrogen 3.791 N/A CYS 216.A SG TRP 212.A O no hydrogen 3.511 N/A MET 217.A N SER 213.A O no hydrogen 3.143 N/A LEU 218.A N LEU 214.A O no hydrogen 2.941 N/A ALA 219.A N GLY 215.A O no hydrogen 2.920 N/A SER 220.A N CYS 216.A O no hydrogen 3.151 N/A SER 220.A OG MET 217.A O no hydrogen 2.972 N/A MET 221.A N MET 217.A O no hydrogen 3.063 N/A ILE 222.A N LEU 218.A O no hydrogen 3.003 N/A PHE 223.A N ALA 219.A O no hydrogen 3.100 N/A ARG 224.A NH1 HIS 287.A NE2 no hydrogen 3.128 N/A ARG 224.A NH2 TYR 121.A O no hydrogen 2.958 N/A LYS 225.A N SER 220.A O no hydrogen 3.027 N/A LYS 225.A NZ PHE 228.A O no hydrogen 3.105 N/A GLY 231.A N GLN 237.A OE1 no hydrogen 2.945 N/A HIS 232.A N ASP 236.A OD2 no hydrogen 2.798 N/A TYR 235.A OH ASP 262.A OD2 no hydrogen 2.969 N/A ASP 236.A N ASP 233.A OD1 no hydrogen 2.774 N/A GLN 237.A N ASP 233.A O no hydrogen 2.795 N/A GLN 237.A NE2 PHE 229.A O no hydrogen 3.088 N/A LEU 238.A N TYR 235.A O no hydrogen 3.162 N/A VAL 239.A N TYR 235.A O no hydrogen 3.398 N/A ARG 240.A N ASP 236.A O no hydrogen 2.963 N/A ILE 241.A N GLN 237.A O no hydrogen 3.246 N/A ALA 242.A N LEU 238.A O no hydrogen 2.816 N/A LYS 243.A N VAL 239.A O no hydrogen 2.870 N/A VAL 244.A N ILE 241.A O no hydrogen 3.075 N/A LEU 245.A N ILE 241.A O no hydrogen 2.779 N/A GLY 246.A N ALA 242.A O no hydrogen 2.810 N/A THR 247.A N HIS 272.A O no hydrogen 3.012 N/A THR 247.A OG1 HIS 272.A O no hydrogen 3.247 N/A TYR 251.A N THR 247.A O no hydrogen 2.930 N/A ASP 252.A N GLU 248.A O no hydrogen 3.091 N/A TYR 253.A N ASP 249.A O no hydrogen 3.115 N/A ILE 254.A N LEU 250.A O no hydrogen 3.064 N/A ASP 255.A N TYR 251.A O no hydrogen 2.931 N/A LYS 256.A N ASP 252.A O no hydrogen 2.862 N/A LYS 256.A NZ TYR 257.A OH no hydrogen 3.388 N/A LYS 256.A NZ ASP 304.A OD2 no hydrogen 2.766 N/A TYR 257.A N TYR 253.A O no hydrogen 3.280 N/A TYR 257.A OH ASP 304.A OD1 no hydrogen 2.704 N/A ASN 258.A N ASP 255.A O no hydrogen 3.194 N/A ASN 258.A ND2 GLY 2.A O no hydrogen 2.964 N/A ILE 259.A N ILE 254.A O no hydrogen 2.898 N/A ARG 264.A N ASP 262.A OD1 no hydrogen 3.350 N/A PHE 265.A N ASP 262.A O no hydrogen 3.065 N/A ILE 268.A N PHE 265.A O no hydrogen 3.236 N/A LEU 269.A N PHE 265.A O no hydrogen 3.156 N/A HIS 272.A N THR 247.A OG1 no hydrogen 2.901 N/A LYS 275.A N VAL 244.A O no hydrogen 2.834 N/A LYS 275.A NZ LYS 243.A O no hydrogen 2.790 N/A LYS 275.A NZ SER 273.A O no hydrogen 2.862 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.847 N/A ARG 279.A N ARG 276.A O no hydrogen 3.301 N/A PHE 280.A N TRP 277.A O no hydrogen 3.162 N/A VAL 281.A N GLU 278.A O no hydrogen 3.190 N/A HIS 282.A N ASN 285.A OD1 no hydrogen 2.970 N/A SER 283.A OG GLU 284.A OE2 no hydrogen 3.325 N/A GLU 284.A N HIS 282.A ND1 no hydrogen 3.126 N/A ASN 285.A N HIS 282.A O no hydrogen 3.199 N/A ASN 285.A ND2 PHE 223.A O no hydrogen 2.820 N/A ASN 285.A ND2 PHE 280.A O no hydrogen 2.987 N/A GLN 286.A N HIS 282.A O no hydrogen 3.023 N/A LEU 288.A N ASN 285.A O no hydrogen 2.813 N/A VAL 289.A N GLN 286.A O no hydrogen 3.172 N/A ALA 293.A N SER 290.A OG no hydrogen 3.337 N/A LEU 294.A N SER 290.A O no hydrogen 3.211 N/A ASP 295.A N PRO 291.A O no hydrogen 3.063 N/A PHE 296.A N GLU 292.A O no hydrogen 3.069 N/A LEU 297.A N ALA 293.A O no hydrogen 2.892 N/A ASP 298.A N LEU 294.A O no hydrogen 2.879 N/A LYS 299.A N ASP 295.A O no hydrogen 3.321 N/A LYS 299.A NZ ASP 295.A OD2 no hydrogen 2.858 N/A LEU 300.A N LEU 297.A O no hydrogen 3.122 N/A LEU 301.A N LEU 297.A O no hydrogen 3.085 N/A ARG 302.A N LEU 300.A O no hydrogen 3.131 N/A ARG 302.A NE ASP 298.A O no hydrogen 2.780 N/A ARG 302.A NH2 ASP 298.A OD2 no hydrogen 2.779 N/A TYR 303.A OH GLY 246.A O no hydrogen 2.739 N/A GLN 306.A N ASP 304.A OD1 no hydrogen 3.155 N/A GLN 306.A NE2 ARG 7.A O no hydrogen 3.335 N/A SER 307.A N ASP 304.A O no hydrogen 3.056 N/A SER 307.A OG ASP 304.A O no hydrogen 2.887 N/A ARG 308.A N HIS 305.A O no hydrogen 3.445 N/A ARG 308.A NE ARG 302.A O no hydrogen 2.812 N/A ARG 308.A NH1 GLU 197.A OE1 no hydrogen 3.373 N/A ARG 308.A NH1 GLU 197.A OE2 no hydrogen 2.807 N/A ARG 308.A NH1 SER 208.A O no hydrogen 2.987 N/A ARG 308.A NH2 GLU 197.A OE1 no hydrogen 2.781 N/A ARG 308.A NH2 ARG 302.A O no hydrogen 3.185 N/A ARG 308.A NH2 TYR 303.A O no hydrogen 3.129 N/A LEU 309.A N LYS 299.A O no hydrogen 3.174 N/A THR 310.A N GLU 313.A OE1 no hydrogen 3.038 N/A ARG 312.A NE ASP 141.A OD2 no hydrogen 3.288 N/A ARG 312.A NH1 ASP 141.A OD2 no hydrogen 3.062 N/A GLU 313.A N THR 310.A OG1 no hydrogen 3.194 N/A ALA 314.A N THR 310.A O no hydrogen 2.953 N/A MET 315.A N ALA 311.A O no hydrogen 3.095 N/A GLU 316.A N GLU 313.A O no hydrogen 3.230 N/A HIS 317.A N ALA 314.A O no hydrogen 3.228 N/A HIS 317.A NE2 ASP 295.A OD2 no hydrogen 2.713 N/A TYR 319.A N HIS 317.A ND1 no hydrogen 2.986 N/A PHE 320.A N HIS 317.A O no hydrogen 2.991 N/A TYR 321.A N PRO 318.A O no hydrogen 3.183 N/A VAL 324.A N PHE 320.A O no hydrogen 2.842 N/A LYS 325.A N TYR 321.A O no hydrogen 2.924 N/A ASP 326.A N THR 322.A O no hydrogen 2.842 N/A GLN 327.A N VAL 323.A O no hydrogen 3.081 N/A GLN 327.A N VAL 324.A O no hydrogen 3.276 N/A GLN 327.A NE2 GLU 135.A OE2 no hydrogen 2.916 N/A ALA 328.A N LYS 325.A O no hydrogen 3.166 N/A