Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ekk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 6.A OE1 no hydrogen 3.519 N/A THR 3.A OG1 ASN 5.A O no hydrogen 2.719 N/A THR 3.A OG1 GLU 6.A OE1 no hydrogen 3.546 N/A GLU 8.A N LYS 25.A O no hydrogen 2.754 N/A TYR 9.A OH MET 4.A O no hydrogen 3.106 N/A LEU 10.A N LEU 23.A O no hydrogen 2.960 N/A LEU 13.A N VAL 21.A O no hydrogen 2.815 N/A GLY 14.A N VAL 21.A O no hydrogen 3.299 N/A LYS 20.A N ILE 37.A O no hydrogen 3.062 N/A VAL 21.A N GLY 14.A O no hydrogen 3.260 N/A ILE 22.A N MET 35.A O no hydrogen 2.850 N/A LEU 23.A N LYS 11.A O no hydrogen 2.814 N/A VAL 24.A N TYR 33.A O no hydrogen 2.888 N/A LYS 25.A N GLU 8.A O no hydrogen 3.058 N/A GLU 26.A N ARG 31.A O no hydrogen 3.004 N/A LYS 27.A N GLU 6.A O no hydrogen 2.816 N/A GLY 30.A N GLU 26.A O no hydrogen 2.733 N/A ARG 31.A NE TYR 33.A OH no hydrogen 3.532 N/A TYR 33.A N VAL 24.A O no hydrogen 2.786 N/A ALA 34.A N MET 84.A O no hydrogen 2.853 N/A MET 35.A N ILE 22.A O no hydrogen 2.818 N/A LYS 36.A N PHE 82.A O no hydrogen 2.884 N/A LYS 36.A NZ GLU 55.A OE1 no hydrogen 3.248 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 2.979 N/A ILE 37.A N LYS 20.A O no hydrogen 2.815 N/A LEU 38.A N LEU 80.A O no hydrogen 2.758 N/A LYS 40.A N ASP 78.A O no hydrogen 2.786 N/A LYS 40.A NZ GLN 75.A OE1 no hydrogen 2.995 N/A LYS 40.A NZ THR 76.A O no hydrogen 2.936 N/A LYS 40.A NZ PRO 308.A O no hydrogen 2.855 N/A VAL 42.A N LYS 39.A O no hydrogen 3.148 N/A ILE 43.A N LYS 39.A O no hydrogen 3.182 N/A VAL 44.A N LYS 40.A O no hydrogen 2.938 N/A ALA 45.A N GLU 41.A O no hydrogen 3.394 N/A LYS 46.A N VAL 42.A O no hydrogen 2.688 N/A ASP 47.A N VAL 44.A O no hydrogen 3.431 N/A GLU 48.A N ILE 43.A O no hydrogen 2.714 N/A HIS 51.A ND1 GLU 48.A OE1 no hydrogen 3.114 N/A THR 52.A N GLU 48.A O no hydrogen 3.093 N/A THR 52.A OG1 GLU 48.A O no hydrogen 3.043 N/A LEU 53.A N VAL 49.A O no hydrogen 2.975 N/A THR 54.A N ALA 50.A O no hydrogen 3.011 N/A THR 54.A OG1 ALA 50.A O no hydrogen 2.553 N/A THR 54.A OG1 HIS 51.A O no hydrogen 3.310 N/A GLU 55.A N HIS 51.A O no hydrogen 2.917 N/A ASN 56.A N THR 52.A O no hydrogen 3.138 N/A ASN 56.A ND2 PHE 313.A O no hydrogen 3.071 N/A ARG 57.A N LEU 53.A O no hydrogen 3.309 N/A ARG 57.A NE GLU 155.A OE2 no hydrogen 2.921 N/A ARG 57.A NH1 GLU 155.A OE2 no hydrogen 3.186 N/A VAL 58.A N THR 54.A O no hydrogen 3.096 N/A LEU 59.A N GLU 55.A O no hydrogen 3.309 N/A GLN 60.A N ASN 56.A O no hydrogen 3.225 N/A GLN 60.A NE2 ASN 56.A OD1 no hydrogen 2.731 N/A ASN 61.A N ARG 57.A O no hydrogen 2.832 N/A SER 62.A N LEU 59.A O no hydrogen 3.167 N/A SER 62.A OG VAL 58.A O no hydrogen 2.658 N/A SER 62.A OG LEU 59.A O no hydrogen 3.222 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.844 N/A ARG 63.A NH1 GLN 60.A O no hydrogen 2.918 N/A PHE 66.A N HIS 64.A ND1 no hydrogen 3.108 N/A LEU 67.A N HIS 64.A O no hydrogen 3.050 N/A THR 68.A N ILE 147.A O no hydrogen 3.206 N/A THR 68.A OG1 ILE 147.A O no hydrogen 3.391 N/A ALA 69.A N GLU 85.A OE1 no hydrogen 2.897 N/A LYS 71.A N VAL 83.A O no hydrogen 2.864 N/A TYR 72.A OH GLU 26.A OE2 no hydrogen 2.802 N/A SER 73.A N TYR 315.A O no hydrogen 2.829 N/A SER 73.A OG ASN 56.A OD1 no hydrogen 3.105 N/A PHE 74.A N CYS 81.A O no hydrogen 2.977 N/A GLN 75.A N ASP 314.A OD2 no hydrogen 3.425 N/A GLN 75.A NE2 PHE 310.A O no hydrogen 2.749 N/A GLN 75.A NE2 ASP 314.A OD1 no hydrogen 3.202 N/A THR 76.A N ARG 79.A O no hydrogen 2.799 N/A THR 76.A OG1 ASP 78.A OD1 no hydrogen 2.907 N/A THR 76.A OG1 ARG 79.A O no hydrogen 3.415 N/A ARG 79.A N THR 76.A OG1 no hydrogen 2.844 N/A LEU 80.A N LEU 38.A O no hydrogen 2.631 N/A CYS 81.A N PHE 74.A O no hydrogen 2.858 N/A PHE 82.A N LYS 36.A O no hydrogen 2.915 N/A VAL 83.A N TYR 72.A O no hydrogen 2.856 N/A MET 84.A N ALA 34.A O no hydrogen 2.919 N/A GLU 85.A N ALA 69.A O no hydrogen 2.905 N/A GLY 89.A N LEU 139.A O no hydrogen 2.788 N/A LEU 92.A N LEU 137.A O no hydrogen 2.748 N/A PHE 93.A N LEU 134.A O no hydrogen 3.319 N/A PHE 94.A N GLU 91.A O no hydrogen 3.074 N/A HIS 95.A NE2 GLY 89.A O no hydrogen 2.718 N/A LEU 96.A N LEU 92.A O no hydrogen 3.002 N/A SER 97.A N PHE 93.A O no hydrogen 3.178 N/A SER 97.A OG PHE 93.A O no hydrogen 2.887 N/A ARG 98.A N PHE 94.A O no hydrogen 3.390 N/A ARG 98.A NH1 PHE 94.A O no hydrogen 2.900 N/A ARG 98.A NH2 ASP 295.A OD1 no hydrogen 3.263 N/A GLU 99.A N HIS 95.A O no hydrogen 2.893 N/A VAL 101.A N GLU 99.A O no hydrogen 2.629 N/A PHE 102.A N MET 198.A O no hydrogen 2.851 N/A ARG 106.A N SER 103.A OG no hydrogen 3.241 N/A ARG 106.A NE TYR 110.A OH no hydrogen 3.231 N/A ARG 106.A NH1 GLU 99.A OE2 no hydrogen 2.950 N/A ARG 106.A NH2 TYR 110.A OH no hydrogen 3.261 N/A ALA 107.A N SER 103.A O no hydrogen 2.927 N/A ARG 108.A N GLU 104.A O no hydrogen 2.846 N/A ARG 108.A NH1 PHE 263.A O no hydrogen 2.806 N/A ARG 108.A NH2 ASP 105.A OD1 no hydrogen 2.905 N/A PHE 109.A N ASP 105.A O no hydrogen 3.057 N/A TYR 110.A N ARG 106.A O no hydrogen 3.210 N/A GLY 111.A N ALA 107.A O no hydrogen 2.778 N/A ALA 112.A N ARG 108.A O no hydrogen 2.817 N/A GLU 113.A N PHE 109.A O no hydrogen 3.340 N/A ILE 114.A N TYR 110.A O no hydrogen 2.959 N/A VAL 115.A N GLY 111.A O no hydrogen 2.822 N/A SER 116.A N ALA 112.A O no hydrogen 2.830 N/A SER 116.A OG HIS 64.A NE2 no hydrogen 3.106 N/A ALA 117.A N GLU 113.A O no hydrogen 3.234 N/A LEU 118.A N ILE 114.A O no hydrogen 2.962 N/A ASP 119.A N VAL 115.A O no hydrogen 2.891 N/A TYR 120.A N SER 116.A O no hydrogen 3.308 N/A LEU 121.A N ALA 117.A O no hydrogen 3.075 N/A HIS 122.A N LEU 118.A O no hydrogen 3.083 N/A HIS 122.A ND1 ASP 254.A OD2 no hydrogen 2.763 N/A HIS 122.A NE2 ASP 187.A OD2 no hydrogen 2.803 N/A SER 123.A N ASP 119.A O no hydrogen 2.864 N/A SER 123.A OG ASP 119.A O no hydrogen 3.496 N/A SER 123.A OG ASP 119.A OD1 no hydrogen 3.061 N/A GLU 124.A N TYR 120.A O no hydrogen 2.874 N/A LYS 125.A N LEU 121.A O no hydrogen 3.327 N/A ASN 126.A N HIS 122.A O no hydrogen 3.215 N/A VAL 127.A N LEU 121.A O no hydrogen 2.795 N/A VAL 128.A N LYS 154.A O no hydrogen 3.050 N/A TYR 129.A N ASP 187.A OD2 no hydrogen 3.105 N/A TYR 129.A OH THR 148.A O no hydrogen 2.577 N/A TYR 129.A OH ASP 149.A O no hydrogen 2.779 N/A ARG 130.A N ASP 187.A OD1 no hydrogen 2.897 N/A ARG 130.A NE LEU 152.A O no hydrogen 2.738 N/A ARG 130.A NH1 TYR 182.A OH no hydrogen 3.406 N/A ARG 130.A NH2 LEU 152.A O no hydrogen 3.111 N/A LYS 133.A NZ THR 168.A OG1 no hydrogen 2.644 N/A LEU 134.A N TYR 171.A OH no hydrogen 3.462 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.758 N/A ASN 136.A N LYS 133.A O no hydrogen 2.962 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.964 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 3.076 N/A MET 138.A N LYS 146.A O no hydrogen 2.823 N/A LEU 139.A N GLY 90.A O no hydrogen 2.793 N/A ASP 140.A N HIS 144.A O no hydrogen 2.926 N/A ASP 142.A N ASP 140.A OD1 no hydrogen 3.025 N/A GLY 143.A N ASP 140.A O no hydrogen 2.832 N/A GLY 143.A N ASP 140.A OD1 no hydrogen 3.052 N/A HIS 144.A N ASP 140.A OD1 no hydrogen 3.027 N/A HIS 144.A ND1 GLU 113.A OE2 no hydrogen 2.681 N/A ILE 145.A N GLU 113.A OE1 no hydrogen 2.911 N/A LYS 146.A N MET 138.A O no hydrogen 2.632 N/A LYS 146.A NZ PRO 65.A O no hydrogen 2.794 N/A LYS 146.A NZ ASP 140.A OD2 no hydrogen 2.946 N/A ILE 147.A N PHE 66.A O no hydrogen 2.817 N/A THR 148.A N ASN 136.A O no hydrogen 3.164 N/A CYS 153.A N PHE 150.A O no hydrogen 3.517 N/A CYS 153.A SG PHE 150.A O no hydrogen 3.622 N/A LYS 154.A N VAL 128.A O no hydrogen 3.067 N/A ILE 157.A N ASN 126.A O no hydrogen 2.883 N/A MET 163.A N TYR 182.A O no hydrogen 2.795 N/A LYS 164.A NZ ASP 181.A OD2 no hydrogen 3.447 N/A THR 168.A OG1 ASP 131.A OD1 no hydrogen 3.420 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.853 N/A TYR 171.A N THR 168.A O no hydrogen 2.661 N/A TYR 171.A OH GLU 197.A OE1 no hydrogen 2.498 N/A LEU 172.A N PRO 169.A O no hydrogen 3.515 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.755 N/A VAL 176.A N ALA 173.A O no hydrogen 2.949 N/A LEU 177.A N ALA 173.A O no hydrogen 3.187 N/A GLU 178.A N PRO 174.A O no hydrogen 2.789 N/A ASP 179.A N VAL 176.A O no hydrogen 3.223 N/A TYR 182.A N MET 163.A O no hydrogen 3.242 N/A ARG 184.A NH2 GLY 251.A O no hydrogen 3.328 N/A VAL 186.A N GLY 183.A O no hydrogen 3.342 N/A ASP 187.A N ARG 184.A O no hydrogen 3.363 N/A TRP 188.A N ALA 185.A O no hydrogen 2.992 N/A TRP 188.A NE1 ASP 254.A OD1 no hydrogen 2.644 N/A TRP 189.A N ALA 185.A O no hydrogen 3.229 N/A GLY 190.A N VAL 186.A O no hydrogen 3.053 N/A LEU 191.A N ASP 187.A O no hydrogen 2.830 N/A GLY 192.A N TRP 188.A O no hydrogen 2.955 N/A VAL 193.A N TRP 189.A O no hydrogen 2.933 N/A VAL 194.A N GLY 190.A O no hydrogen 3.054 N/A MET 195.A N LEU 191.A O no hydrogen 2.939 N/A TYR 196.A N GLY 192.A O no hydrogen 2.925 N/A TYR 196.A OH ARG 223.A O no hydrogen 2.399 N/A GLU 197.A N VAL 193.A O no hydrogen 2.963 N/A MET 198.A N VAL 194.A O no hydrogen 2.933 N/A MET 199.A N MET 195.A O no hydrogen 3.226 N/A CYS 200.A N TYR 196.A O no hydrogen 2.831 N/A CYS 200.A SG TYR 196.A O no hydrogen 3.290 N/A GLY 201.A N GLU 197.A O no hydrogen 2.803 N/A ASP 209.A N ASN 207.A OD1 no hydrogen 3.115 N/A LYS 212.A N ASP 209.A OD1 no hydrogen 3.528 N/A LEU 213.A N ASP 209.A O no hydrogen 2.752 N/A PHE 214.A N HIS 210.A O no hydrogen 2.881 N/A GLU 215.A N GLU 211.A O no hydrogen 2.963 N/A LEU 216.A N LYS 212.A O no hydrogen 3.165 N/A ILE 217.A N LEU 213.A O no hydrogen 3.138 N/A LEU 218.A N PHE 214.A O no hydrogen 3.127 N/A MET 219.A N GLU 215.A O no hydrogen 2.986 N/A MET 219.A N LEU 216.A O no hydrogen 3.220 N/A GLU 220.A N LEU 216.A O no hydrogen 2.831 N/A LEU 228.A N PRO 225.A O no hydrogen 3.256 N/A GLY 229.A N GLU 104.A OE2 no hydrogen 3.071 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.958 N/A LYS 233.A N GLY 229.A O no hydrogen 3.002 N/A SER 234.A N PRO 230.A O no hydrogen 2.977 N/A SER 234.A OG HIS 261.A NE2 no hydrogen 3.080 N/A LEU 235.A N GLU 231.A O no hydrogen 3.144 N/A LEU 236.A N ALA 232.A O no hydrogen 2.871 N/A SER 237.A N LYS 233.A O no hydrogen 2.869 N/A SER 237.A OG LYS 233.A O no hydrogen 3.298 N/A GLY 238.A N SER 234.A O no hydrogen 2.875 N/A LEU 239.A N LEU 235.A O no hydrogen 2.816 N/A LEU 240.A N LEU 236.A O no hydrogen 2.991 N/A LYS 242.A NZ ILE 217.A O no hydrogen 2.784 N/A LYS 242.A NZ GLU 220.A O no hydrogen 2.948 N/A LYS 245.A N ASP 243.A OD1 no hydrogen 3.108 N/A LYS 245.A NZ ASP 243.A OD1 no hydrogen 3.117 N/A LYS 245.A NZ ASP 243.A OD2 no hydrogen 3.518 N/A GLN 246.A N ASP 243.A O no hydrogen 2.735 N/A ARG 247.A N PRO 244.A O no hydrogen 3.356 N/A ARG 247.A NE LYS 241.A O no hydrogen 2.977 N/A ARG 247.A NH1 GLU 175.A OE1 no hydrogen 3.561 N/A ARG 247.A NH1 GLU 175.A OE2 no hydrogen 2.758 N/A ARG 247.A NH1 ALA 185.A O no hydrogen 3.068 N/A ARG 247.A NH2 GLU 175.A OE1 no hydrogen 2.769 N/A ARG 247.A NH2 LYS 241.A O no hydrogen 2.968 N/A LEU 248.A N GLY 238.A O no hydrogen 2.851 N/A GLY 249.A N GLU 257.A OE2 no hydrogen 2.941 N/A GLY 250.A N ARG 247.A O no hydrogen 2.887 N/A SER 252.A OG GLU 253.A OE1 no hydrogen 3.142 N/A ASP 254.A N GLY 251.A O no hydrogen 3.260 N/A LYS 256.A N GLU 253.A O no hydrogen 2.968 N/A GLU 257.A N ASP 254.A O no hydrogen 3.324 N/A MET 259.A N ALA 255.A O no hydrogen 3.038 N/A GLN 260.A N LYS 256.A O no hydrogen 3.042 N/A HIS 261.A N ILE 258.A O no hydrogen 3.225 N/A HIS 261.A NE2 SER 234.A OG no hydrogen 3.080 N/A PHE 263.A N HIS 261.A ND1 no hydrogen 2.985 N/A PHE 264.A N HIS 261.A O no hydrogen 2.706 N/A ALA 265.A N ARG 262.A O no hydrogen 3.074 N/A ILE 267.A N PHE 264.A O no hydrogen 2.988 N/A GLN 270.A NE2 GLU 274.A OE2 no hydrogen 2.775 N/A VAL 272.A N VAL 268.A O no hydrogen 3.048 N/A TYR 273.A N TRP 269.A O no hydrogen 3.251 N/A GLU 274.A N GLN 270.A O no hydrogen 3.045 N/A LYS 275.A N VAL 272.A O no hydrogen 3.132 N/A LYS 276.A N HIS 271.A O no hydrogen 2.918 N/A LYS 276.A NZ GLU 274.A OE1 no hydrogen 3.076 N/A LYS 282.A NZ ASP 142.A OD1 no hydrogen 2.804 N/A GLN 284.A N TYR 293.A OH no hydrogen 2.681 N/A GLN 284.A NE2 LYS 282.A O no hydrogen 3.267 N/A GLN 284.A NE2 PRO 283.A O no hydrogen 3.455 N/A THR 286.A N ASP 290.A OD2 no hydrogen 2.953 N/A THR 286.A OG1 ASP 290.A OD2 no hydrogen 3.301 N/A SER 287.A N THR 286.A OG1 no hydrogen 2.776 N/A SER 287.A OG THR 289.A OG1 no hydrogen 3.353 N/A THR 289.A OG1 SER 287.A OG no hydrogen 3.353 N/A ARG 292.A N ASP 290.A OD1 no hydrogen 3.208 N/A PHE 294.A N THR 291.A O no hydrogen 3.071 N/A PHE 298.A N ASP 295.A O no hydrogen 3.092 N/A ALA 300.A N PHE 298.A O no hydrogen 2.820 N/A PHE 310.A N GLN 75.A OE1 no hydrogen 2.990 N/A PHE 313.A N PHE 310.A O no hydrogen 3.143 N/A TYR 315.A N SER 73.A O no hydrogen 2.684 N/A ALA 317.A N LYS 71.A O no hydrogen 3.122 N/A