Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ekn_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 302.A OD2 no hydrogen 2.995 N/A LEU 4.A N ILE 121.A O no hydrogen 2.943 N/A MET 7.A N GLN 130.A OE1 no hydrogen 3.393 N/A LYS 8.A N SER 6.A OG no hydrogen 3.194 N/A ASP 9.A N SER 6.A O no hydrogen 2.872 N/A ILE 10.A N MET 7.A O no hydrogen 3.233 N/A LYS 12.A NZ ASP 150.A OD1 no hydrogen 3.093 N/A ILE 15.A N GLY 11.A O no hydrogen 2.908 N/A LEU 16.A N LYS 12.A O no hydrogen 2.859 N/A GLU 17.A N GLU 13.A O no hydrogen 2.901 N/A ILE 18.A N GLU 14.A O no hydrogen 3.093 N/A LEU 19.A N ILE 15.A O no hydrogen 2.923 N/A ASP 20.A N LEU 16.A O no hydrogen 2.824 N/A GLU 21.A N GLU 17.A O no hydrogen 3.001 N/A ALA 22.A N ILE 18.A O no hydrogen 2.998 N/A ARG 23.A N LEU 19.A O no hydrogen 2.948 N/A ARG 23.A NH1 ARG 23.A O no hydrogen 3.022 N/A LYS 24.A N ASP 20.A O no hydrogen 3.114 N/A MET 25.A N GLU 21.A O no hydrogen 3.029 N/A GLU 26.A N ALA 22.A O no hydrogen 2.890 N/A GLU 27.A N ARG 23.A O no hydrogen 3.182 N/A LEU 28.A N LYS 24.A O no hydrogen 2.998 N/A LEU 29.A N MET 25.A O no hydrogen 2.972 N/A ASN 30.A N GLU 26.A O no hydrogen 2.961 N/A ASN 30.A ND2 GLU 27.A OE2 no hydrogen 3.195 N/A THR 31.A N LEU 28.A O no hydrogen 3.074 N/A LYS 32.A N LEU 29.A O no hydrogen 3.165 N/A LEU 38.A N LEU 65.A O no hydrogen 2.739 N/A GLU 39.A N LYS 36.A O no hydrogen 3.008 N/A LYS 41.A N LEU 38.A O no hydrogen 3.066 N/A LYS 41.A NZ GLU 304.A OE2 no hydrogen 3.332 N/A ILE 42.A N ASP 98.A OD2 no hydrogen 2.718 N/A LEU 43.A N GLU 68.A O no hydrogen 2.867 N/A ALA 44.A N ILE 99.A O no hydrogen 2.778 N/A THR 45.A N ILE 70.A O no hydrogen 2.897 N/A VAL 46.A N VAL 101.A O no hydrogen 2.821 N/A PHE 47.A N MET 72.A O no hydrogen 2.731 N/A TYR 48.A N ARG 103.A O no hydrogen 3.002 N/A SER 51.A OG THR 54.A OG1 no hydrogen 2.789 N/A THR 54.A N SER 51.A OG no hydrogen 3.362 N/A THR 54.A OG1 SER 51.A OG no hydrogen 2.789 N/A ARG 55.A N SER 51.A O no hydrogen 2.968 N/A LEU 56.A N THR 52.A O no hydrogen 3.005 N/A SER 57.A N ARG 53.A O no hydrogen 3.156 N/A SER 57.A OG ARG 53.A O no hydrogen 3.242 N/A SER 57.A OG THR 54.A O no hydrogen 2.792 N/A PHE 58.A N THR 54.A O no hydrogen 3.199 N/A GLU 59.A N ARG 55.A O no hydrogen 2.856 N/A THR 60.A N LEU 56.A O no hydrogen 2.734 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.768 N/A ALA 61.A N SER 57.A O no hydrogen 2.792 N/A MET 62.A N PHE 58.A O no hydrogen 2.851 N/A LYS 63.A N GLU 59.A O no hydrogen 3.006 N/A LYS 63.A NZ GLU 59.A OE2 no hydrogen 2.687 N/A ARG 64.A N THR 60.A O no hydrogen 2.796 N/A LEU 65.A N ALA 61.A O no hydrogen 3.279 N/A LEU 65.A N MET 62.A O no hydrogen 3.156 N/A GLY 66.A N LYS 63.A O no hydrogen 3.023 N/A GLY 67.A N MET 62.A O no hydrogen 2.920 N/A GLU 68.A N LYS 41.A O no hydrogen 2.837 N/A ILE 70.A N LEU 43.A O no hydrogen 2.904 N/A MET 72.A N THR 45.A O no hydrogen 2.721 N/A LYS 76.A N ASP 74.A OD2 no hydrogen 3.273 N/A ASP 88.A N SER 85.A O no hydrogen 3.173 N/A THR 89.A N SER 85.A O no hydrogen 3.219 N/A THR 89.A OG1 GLU 84.A OE1 no hydrogen 2.628 N/A THR 89.A OG1 SER 85.A O no hydrogen 3.462 N/A ILE 90.A N LEU 86.A O no hydrogen 2.929 N/A ARG 91.A N ILE 87.A O no hydrogen 3.257 N/A ARG 91.A NE ILE 87.A O no hydrogen 3.019 N/A ARG 91.A NH2 ASP 88.A OD1 no hydrogen 2.798 N/A VAL 92.A N ASP 88.A O no hydrogen 2.974 N/A ILE 93.A N THR 89.A O no hydrogen 2.880 N/A SER 94.A N ILE 90.A O no hydrogen 2.757 N/A SER 94.A OG ILE 90.A O no hydrogen 2.809 N/A SER 94.A OG ARG 91.A O no hydrogen 3.131 N/A GLY 95.A N ARG 91.A O no hydrogen 3.249 N/A GLY 95.A N VAL 92.A O no hydrogen 3.226 N/A TYR 96.A N VAL 92.A O no hydrogen 3.214 N/A ALA 97.A N ILE 93.A O no hydrogen 2.791 N/A ASP 98.A N ILE 42.A O no hydrogen 2.896 N/A ILE 100.A N PRO 120.A O no hydrogen 3.097 N/A VAL 101.A N ALA 44.A O no hydrogen 2.925 N/A LEU 102.A N ILE 122.A O no hydrogen 2.818 N/A ARG 103.A N VAL 46.A O no hydrogen 2.964 N/A ARG 103.A NE ALA 124.A O no hydrogen 3.048 N/A HIS 104.A N GLY 125.A O no hydrogen 3.115 N/A SER 106.A OG GLU 107.A O no hydrogen 3.420 N/A ALA 109.A N SER 106.A O no hydrogen 3.178 N/A ARG 111.A NH1 ASP 9.A OD2 no hydrogen 2.887 N/A ARG 111.A NH2 ASP 9.A OD2 no hydrogen 3.454 N/A LEU 112.A N GLY 108.A O no hydrogen 3.092 N/A ALA 113.A N ALA 109.A O no hydrogen 2.966 N/A SER 114.A N ALA 110.A O no hydrogen 3.020 N/A SER 114.A OG ARG 111.A O no hydrogen 2.630 N/A GLU 115.A N ARG 111.A O no hydrogen 3.288 N/A GLU 115.A N LEU 112.A O no hydrogen 2.844 N/A TYR 116.A N LEU 112.A O no hydrogen 3.282 N/A TYR 116.A N ALA 113.A O no hydrogen 2.924 N/A SER 117.A OG VAL 119.A O no hydrogen 2.750 N/A VAL 119.A N SER 117.A OG no hydrogen 3.234 N/A ILE 121.A N HIS 3.A ND1 no hydrogen 2.788 N/A ILE 122.A N ILE 100.A O no hydrogen 2.779 N/A ASN 123.A N LEU 4.A O no hydrogen 3.006 N/A ASN 123.A ND2 LEU 102.A O no hydrogen 3.675 N/A ALA 124.A N LEU 102.A O no hydrogen 2.837 N/A THR 133.A OG1 HIS 131.A NE2 no hydrogen 3.354 N/A GLN 134.A NE2 ASP 138.A OD1 no hydrogen 3.220 N/A THR 135.A N HIS 131.A O no hydrogen 3.261 N/A THR 135.A OG1 HIS 131.A O no hydrogen 3.467 N/A THR 135.A OG1 SER 168.A OG no hydrogen 2.657 N/A LEU 136.A N PRO 132.A O no hydrogen 2.768 N/A LEU 137.A N THR 133.A O no hydrogen 2.946 N/A ASP 138.A N GLN 134.A O no hydrogen 2.978 N/A LEU 139.A N THR 135.A O no hydrogen 3.134 N/A TYR 140.A N LEU 136.A O no hydrogen 2.887 N/A TYR 140.A OH GLU 26.A OE1 no hydrogen 2.543 N/A THR 141.A N LEU 137.A O no hydrogen 2.915 N/A THR 141.A OG1 LEU 137.A O no hydrogen 2.802 N/A ILE 142.A N ASP 138.A O no hydrogen 3.135 N/A MET 143.A N LEU 139.A O no hydrogen 3.002 N/A ARG 144.A N TYR 140.A O no hydrogen 2.833 N/A ARG 144.A NE GLU 26.A OE1 no hydrogen 2.844 N/A ARG 144.A NH2 GLU 26.A OE2 no hydrogen 3.063 N/A GLU 145.A N THR 141.A O no hydrogen 2.871 N/A ILE 146.A N ILE 142.A O no hydrogen 2.726 N/A GLY 147.A N MET 143.A O no hydrogen 2.851 N/A GLY 151.A N GLU 177.A O no hydrogen 2.764 N/A LYS 153.A N ASP 220.A OD2 no hydrogen 2.792 N/A LYS 153.A NZ ASP 218.A OD2 no hydrogen 2.674 N/A ILE 154.A N GLU 180.A O no hydrogen 2.912 N/A ALA 155.A N VAL 221.A O no hydrogen 2.863 N/A PHE 156.A N TYR 182.A O no hydrogen 2.737 N/A VAL 157.A N TYR 223.A O no hydrogen 3.083 N/A ASP 159.A N ARG 226.A O no hydrogen 3.438 N/A LEU 160.A N LEU 189.A O no hydrogen 3.104 N/A LYS 161.A N ASP 159.A OD1 no hydrogen 2.845 N/A TYR 162.A N ASP 159.A OD1 no hydrogen 2.882 N/A ARG 164.A NH1 TYR 162.A O no hydrogen 3.458 N/A THR 165.A OG1 TYR 223.A OH no hydrogen 3.132 N/A HIS 167.A N GLY 163.A O no hydrogen 2.952 N/A HIS 167.A NE2 LEU 160.A O no hydrogen 2.962 N/A SER 168.A N ARG 164.A O no hydrogen 2.910 N/A SER 168.A OG THR 135.A OG1 no hydrogen 2.657 N/A LEU 169.A N THR 165.A O no hydrogen 3.033 N/A VAL 170.A N VAL 166.A O no hydrogen 2.757 N/A TYR 171.A N HIS 167.A O no hydrogen 3.082 N/A ALA 172.A N SER 168.A O no hydrogen 3.117 N/A LEU 173.A N LEU 169.A O no hydrogen 2.929 N/A SER 174.A N VAL 170.A O no hydrogen 3.184 N/A SER 174.A N TYR 171.A O no hydrogen 2.950 N/A SER 174.A OG TYR 171.A O no hydrogen 2.519 N/A LEU 175.A N ALA 172.A O no hydrogen 3.131 N/A PHE 176.A N LEU 173.A O no hydrogen 2.750 N/A GLU 177.A N ASP 150.A OD1 no hydrogen 2.702 N/A GLU 180.A N ILE 152.A O no hydrogen 3.041 N/A MET 181.A N LYS 205.A O no hydrogen 3.048 N/A TYR 182.A N ILE 154.A O no hydrogen 2.782 N/A TYR 182.A OH GLU 180.A OE1 no hydrogen 3.335 N/A PHE 183.A N TYR 207.A O no hydrogen 2.785 N/A VAL 184.A N PHE 156.A O no hydrogen 2.797 N/A SER 185.A N LYS 209.A O no hydrogen 3.413 N/A SER 185.A OG PRO 186.A O no hydrogen 3.202 N/A SER 185.A OG LEU 189.A O no hydrogen 3.075 N/A LEU 189.A N PRO 186.A O no hydrogen 2.872 N/A ILE 196.A N PRO 192.A O no hydrogen 3.242 N/A GLU 197.A N LYS 193.A O no hydrogen 2.834 N/A ASP 198.A N ASP 194.A O no hydrogen 3.062 N/A LEU 199.A N ILE 195.A O no hydrogen 2.907 N/A LYS 200.A N ILE 196.A O no hydrogen 2.914 N/A ALA 201.A N GLU 197.A O no hydrogen 2.842 N/A LYS 202.A N ASP 198.A O no hydrogen 2.939 N/A ASN 203.A N LYS 200.A O no hydrogen 2.920 N/A ILE 204.A N LEU 199.A O no hydrogen 2.914 N/A TYR 207.A N MET 181.A O no hydrogen 2.846 N/A LYS 209.A N PHE 183.A O no hydrogen 2.913 N/A SER 211.A N ASP 214.A OD2 no hydrogen 2.807 N/A ASP 213.A N SER 211.A OG no hydrogen 3.079 N/A ASP 214.A N SER 211.A O no hydrogen 3.267 N/A LEU 215.A N LEU 212.A O no hydrogen 3.151 N/A ASP 218.A N ASP 218.A OD1 no hydrogen 2.557 N/A ASP 220.A N LYS 153.A O no hydrogen 2.602 N/A VAL 221.A N LYS 153.A O no hydrogen 3.198 N/A LEU 222.A N ILE 258.A O no hydrogen 2.724 N/A TYR 223.A N ALA 155.A O no hydrogen 2.842 N/A TYR 223.A OH ASP 138.A OD2 no hydrogen 2.777 N/A TYR 223.A OH THR 165.A OG1 no hydrogen 3.132 N/A VAL 224.A N MET 260.A O no hydrogen 2.765 N/A THR 225.A N VAL 157.A O no hydrogen 2.795 N/A THR 225.A OG1 VAL 157.A O no hydrogen 3.333 N/A ARG 231.A N GLN 228.A O no hydrogen 3.406 N/A PHE 232.A N LYS 229.A O no hydrogen 2.764 N/A ASN 236.A N ASP 234.A OD1 no hydrogen 2.837 N/A ASN 236.A ND2 ASP 234.A OD1 no hydrogen 2.997 N/A TYR 238.A N ASP 234.A O no hydrogen 3.004 N/A TYR 238.A OH ILE 227.A O no hydrogen 2.919 N/A GLU 239.A N PRO 235.A O no hydrogen 2.952 N/A LYS 240.A N ASN 236.A O no hydrogen 3.445 N/A VAL 241.A N GLU 237.A O no hydrogen 3.031 N/A LYS 242.A N TYR 238.A O no hydrogen 3.007 N/A GLY 243.A N GLU 239.A O no hydrogen 2.907 N/A SER 244.A N LYS 240.A O no hydrogen 3.063 N/A SER 244.A N VAL 241.A O no hydrogen 2.928 N/A SER 244.A OG LYS 240.A O no hydrogen 3.060 N/A TYR 245.A N VAL 241.A O no hydrogen 3.172 N/A TYR 245.A N LYS 242.A O no hydrogen 3.214 N/A TYR 245.A OH GLU 210.A O no hydrogen 2.823 N/A LYS 246.A N LYS 242.A O no hydrogen 2.836 N/A LYS 246.A NZ ASP 267.A O no hydrogen 2.680 N/A ILE 247.A N GLU 268.A O no hydrogen 2.860 N/A TYR 251.A N LYS 248.A O no hydrogen 3.131 N/A TYR 251.A OH LEU 212.A O no hydrogen 2.964 N/A VAL 252.A N LYS 248.A O no hydrogen 3.179 N/A VAL 252.A N ARG 249.A O no hydrogen 2.800 N/A GLU 253.A N ARG 249.A O no hydrogen 2.865 N/A LYS 255.A N VAL 252.A O no hydrogen 2.925 N/A LYS 255.A NZ TYR 251.A O no hydrogen 2.683 N/A LYS 256.A N ASP 217.A OD1 no hydrogen 2.848 N/A LYS 256.A NZ ASP 218.A O no hydrogen 3.003 N/A LYS 256.A NZ ASP 220.A OD1 no hydrogen 3.335 N/A ILE 258.A N ASP 220.A O no hydrogen 3.138 N/A ILE 259.A N GLN 278.A O no hydrogen 2.767 N/A MET 260.A N LEU 222.A O no hydrogen 2.700 N/A HIS 261.A N GLN 284.A OE1 no hydrogen 2.832 N/A HIS 261.A NE2 GLU 268.A OE1 no hydrogen 2.773 N/A LEU 263.A N HIS 261.A ND1 no hydrogen 2.746 N/A ARG 265.A NH1 ILE 269.A O no hydrogen 2.949 N/A ARG 265.A NH1 ASP 274.A OD1 no hydrogen 2.964 N/A ARG 265.A NH2 ASP 274.A OD1 no hydrogen 3.252 N/A ARG 265.A NH2 ASP 274.A OD2 no hydrogen 2.816 N/A VAL 266.A N GLU 268.A OE1 no hydrogen 2.958 N/A ASP 267.A N GLU 268.A OE2 no hydrogen 3.378 N/A ASP 270.A N ILE 247.A O no hydrogen 2.984 N/A VAL 273.A N ASP 270.A O no hydrogen 3.185 N/A ASP 274.A N TYR 271.A O no hydrogen 3.213 N/A LEU 276.A N VAL 273.A O no hydrogen 2.822 N/A GLN 278.A NE2 LYS 255.A O no hydrogen 3.019 N/A ALA 279.A N LEU 276.A O no hydrogen 2.942 N/A LYS 280.A N ILE 259.A O no hydrogen 3.262 N/A LYS 280.A NZ GLU 145.A OE1 no hydrogen 3.353 N/A LYS 280.A NZ PRO 277.A O no hydrogen 3.266 N/A TYR 281.A OH ASP 274.A OD1 no hydrogen 2.733 N/A LYS 283.A NZ GLU 145.A OE2 no hydrogen 2.827 N/A LYS 283.A NZ TYR 287.A OH no hydrogen 3.090 N/A GLN 284.A N LYS 280.A O no hydrogen 2.703 N/A GLN 284.A NE2 ASP 138.A OD1 no hydrogen 2.755 N/A SER 285.A N TYR 281.A O no hydrogen 2.948 N/A PHE 286.A N PHE 282.A O no hydrogen 3.206 N/A TYR 287.A N LYS 283.A O no hydrogen 2.948 N/A TYR 287.A OH GLU 145.A OE2 no hydrogen 2.808 N/A GLY 288.A N GLN 284.A O no hydrogen 3.228 N/A GLY 288.A N SER 285.A O no hydrogen 3.030 N/A ILE 289.A N PHE 286.A O no hydrogen 2.804 N/A VAL 291.A N TYR 287.A O no hydrogen 3.316 N/A ARG 292.A N GLY 288.A O no hydrogen 3.157 N/A MET 293.A N ILE 289.A O no hydrogen 2.844 N/A ALA 294.A N PRO 290.A O no hydrogen 2.987 N/A ILE 295.A N VAL 291.A O no hydrogen 2.889 N/A LEU 296.A N ARG 292.A O no hydrogen 2.864 N/A LYS 297.A N MET 293.A O no hydrogen 2.878 N/A LYS 297.A NZ GLU 21.A OE2 no hydrogen 2.840 N/A LYS 298.A N ALA 294.A O no hydrogen 2.789 N/A LYS 298.A NZ ASP 302.A OD2 no hydrogen 2.794 N/A LEU 299.A N ILE 295.A O no hydrogen 3.054 N/A ILE 300.A N LEU 296.A O no hydrogen 3.162 N/A GLU 301.A N LYS 297.A O no hydrogen 3.002 N/A ASP 302.A N LYS 298.A O no hydrogen 2.773 N/A ASN 303.A N ILE 300.A O no hydrogen 3.256 N/A ASN 303.A ND2 MET 1.A O no hydrogen 3.169 N/A ASN 303.A ND2 LYS 2.A O no hydrogen 3.082 N/A ASN 303.A ND2 LEU 299.A O no hydrogen 3.057 N/A