Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3akl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N THR 68.A O no hydrogen 2.903 N/A THR 6.A OG1 ASP 4.A OD1 no hydrogen 2.978 N/A THR 6.A OG1 THR 68.A O no hydrogen 3.481 N/A CYS 8.A N PHE 5.A O no hydrogen 2.885 N/A CYS 8.A SG PHE 5.A O no hydrogen 3.339 N/A ASN 11.A N SER 25.A O no hydrogen 2.455 N/A LYS 13.A N ASN 11.A OD1 no hydrogen 3.230 N/A LYS 14.A NZ ASP 79.A OD2 no hydrogen 3.536 N/A LYS 14.A NZ THR 81.A OG1 no hydrogen 3.147 N/A GLY 21.A N ALA 19.A O no hydrogen 3.186 N/A LYS 23.A NZ GLY 21.A O no hydrogen 2.734 N/A ILE 24.A N VAL 35.A O no hydrogen 3.106 N/A LEU 26.A N TYR 33.A O no hydrogen 3.407 N/A PHE 27.A N GLU 9.A O no hydrogen 2.803 N/A TYR 28.A N GLU 31.A O no hydrogen 2.916 N/A GLU 31.A N TYR 28.A O no hydrogen 3.073 N/A TYR 33.A N LEU 26.A O no hydrogen 2.902 N/A MET 34.A N CYS 77.A O no hydrogen 2.629 N/A VAL 35.A N ILE 24.A O no hydrogen 3.035 N/A LYS 36.A N VAL 75.A O no hydrogen 2.924 N/A LYS 36.A NZ GLU 47.A OE2 no hydrogen 2.844 N/A PHE 37.A N ASN 22.A O no hydrogen 3.276 N/A CYS 44.A SG LYS 36.A O no hydrogen 3.538 N/A CYS 44.A SG ILE 73.A O no hydrogen 3.695 N/A SER 46.A N ASN 42.A O no hydrogen 3.474 N/A SER 46.A OG CYS 169.A O no hydrogen 2.883 N/A GLU 47.A N GLY 43.A O no hydrogen 2.872 N/A TYR 48.A N CYS 44.A O no hydrogen 3.121 N/A VAL 49.A N PHE 45.A O no hydrogen 2.715 N/A ALA 50.A N SER 46.A O no hydrogen 2.670 N/A CYS 51.A N GLU 47.A O no hydrogen 2.934 N/A CYS 51.A SG GLU 47.A O no hydrogen 3.423 N/A CYS 51.A SG GLU 47.A OE1 no hydrogen 3.102 N/A HIS 52.A N TYR 48.A O no hydrogen 3.212 N/A HIS 52.A NE2 THR 64.A O no hydrogen 2.891 N/A ILE 53.A N VAL 49.A O no hydrogen 2.991 N/A VAL 54.A N ALA 50.A O no hydrogen 2.842 N/A ASN 55.A N CYS 51.A O no hydrogen 2.812 N/A SER 56.A N HIS 52.A O no hydrogen 3.349 N/A SER 56.A OG HIS 52.A O no hydrogen 3.403 N/A SER 56.A OG ILE 53.A O no hydrogen 2.524 N/A LEU 57.A N ILE 53.A O no hydrogen 3.092 N/A LEU 57.A N VAL 54.A O no hydrogen 2.994 N/A GLY 58.A N ASN 55.A O no hydrogen 2.903 N/A LYS 60.A NZ GLN 159.A OE1 no hydrogen 3.418 N/A GLN 62.A N ILE 163.A O no hydrogen 3.051 N/A THR 64.A OG1 TYR 48.A O no hydrogen 3.339 N/A LEU 65.A N ALA 76.A O no hydrogen 2.807 N/A GLY 67.A N VAL 74.A O no hydrogen 2.874 N/A THR 68.A N ILE 3.A O no hydrogen 2.896 N/A THR 68.A OG1 ILE 3.A O no hydrogen 3.094 N/A THR 68.A OG1 ASP 4.A OD1 no hydrogen 2.511 N/A TYR 69.A N LYS 72.A O no hydrogen 2.990 N/A LYS 70.A N THR 6.A OG1 no hydrogen 2.550 N/A LYS 72.A N TYR 69.A O no hydrogen 2.793 N/A VAL 74.A N GLY 67.A O no hydrogen 2.814 N/A VAL 75.A N LYS 36.A O no hydrogen 3.308 N/A ALA 76.A N LEU 65.A O no hydrogen 2.516 N/A CYS 77.A N MET 34.A O no hydrogen 2.729 N/A LYS 78.A N GLU 63.A O no hydrogen 3.127 N/A ASP 79.A N LEU 32.A O no hydrogen 3.057 N/A THR 81.A N ASP 79.A OD2 no hydrogen 2.784 N/A THR 81.A OG1 ASP 79.A OD2 no hydrogen 2.986 N/A TYR 85.A N THR 82.A O no hydrogen 3.062 N/A GLU 86.A N ARG 155.A O no hydrogen 2.866 N/A VAL 88.A N PHE 153.A O no hydrogen 2.953 N/A PHE 90.A N TRP 151.A O no hydrogen 2.624 N/A LEU 91.A N ASN 148.A O no hydrogen 2.786 N/A SER 92.A N ASP 89.A OD1 no hydrogen 3.198 N/A SER 92.A OG ASP 89.A OD1 no hydrogen 3.053 N/A LEU 93.A N ASP 89.A O no hydrogen 3.450 N/A LYS 94.A N PHE 90.A O no hydrogen 2.596 N/A LYS 94.A NZ SER 103.A O no hydrogen 3.195 N/A LYS 94.A NZ ASP 106.A O no hydrogen 3.157 N/A ASN 95.A N LEU 91.A O no hydrogen 2.792 N/A ASN 95.A N SER 92.A O no hydrogen 2.858 N/A THR 96.A N LEU 93.A O no hydrogen 3.249 N/A THR 96.A OG1 LEU 93.A O no hydrogen 3.067 N/A MET 97.A N LYS 94.A O no hydrogen 3.009 N/A ILE 98.A N THR 96.A O no hydrogen 2.701 N/A LYS 102.A NZ ASP 106.A OD1 no hydrogen 3.468 N/A LYS 102.A NZ ASP 111.A OD2 no hydrogen 2.658 N/A LYS 105.A N SER 103.A OG no hydrogen 3.230 N/A THR 107.A OG1 ILE 200.A O no hydrogen 2.457 N/A ASN 108.A ND2 ASP 203.A O no hydrogen 2.937 N/A ASN 108.A ND2 ASP 204.A OD2 no hydrogen 3.510 N/A LEU 109.A N LYS 202.A O no hydrogen 2.504 N/A ASP 111.A N ASN 108.A OD1 no hydrogen 2.936 N/A VAL 112.A N ASN 108.A O no hydrogen 2.955 N/A LEU 113.A N LEU 109.A O no hydrogen 2.860 N/A TYR 114.A N ASN 110.A O no hydrogen 2.869 N/A ALA 115.A N ASP 111.A O no hydrogen 3.023 N/A ILE 116.A N VAL 112.A O no hydrogen 3.138 N/A ASP 117.A N LEU 113.A O no hydrogen 2.959 N/A ASN 118.A N TYR 114.A O no hydrogen 2.924 N/A GLN 119.A NE2 ILE 116.A O no hydrogen 2.655 N/A GLN 119.A NE2 ILE 122.A O no hydrogen 3.109 N/A PHE 121.A N GLN 119.A OE1 no hydrogen 2.869 N/A ILE 122.A N GLN 119.A OE1 no hydrogen 3.149 N/A LYS 125.A N GLU 123.A OE2 no hydrogen 3.186 N/A LEU 127.A N GLU 123.A O no hydrogen 3.411 N/A LEU 127.A N PRO 124.A O no hydrogen 3.137 N/A LYS 128.A N PRO 124.A O no hydrogen 2.802 N/A CYS 129.A N LYS 125.A O no hydrogen 2.957 N/A PHE 130.A N VAL 126.A O no hydrogen 2.923 N/A PHE 131.A N LEU 127.A O no hydrogen 2.840 N/A TRP 132.A N LYS 128.A O no hydrogen 3.427 N/A ASP 133.A N CYS 129.A O no hydrogen 2.891 N/A MET 134.A N PHE 130.A O no hydrogen 2.766 N/A PHE 135.A N PHE 131.A O no hydrogen 2.801 N/A VAL 136.A N TRP 132.A O no hydrogen 3.176 N/A ALA 137.A N ASP 133.A O no hydrogen 3.193 N/A ASP 138.A N MET 134.A O no hydrogen 2.869 N/A THR 139.A N PHE 135.A O no hydrogen 2.841 N/A THR 139.A OG1 PHE 135.A O no hydrogen 3.101 N/A LEU 140.A N VAL 136.A O no hydrogen 2.905 N/A LEU 141.A N ALA 137.A O no hydrogen 2.755 N/A ASN 143.A N ASP 138.A O no hydrogen 3.008 N/A ASN 143.A ND2 ASP 138.A OD1 no hydrogen 2.968 N/A ASP 145.A N ASN 143.A OD1 no hydrogen 2.879 N/A ARG 146.A NH1 ASP 138.A OD1 no hydrogen 3.113 N/A ARG 146.A NH2 ASN 150.A O no hydrogen 3.346 N/A ARG 146.A NH2 PHE 164.A O no hydrogen 2.582 N/A GLY 149.A N HIS 147.A ND1 no hydrogen 3.147 N/A ASN 150.A N HIS 147.A O no hydrogen 2.437 N/A ASN 150.A ND2 ASP 145.A O no hydrogen 2.636 N/A PHE 153.A N VAL 88.A O no hydrogen 2.834 N/A LEU 154.A N GLN 159.A O no hydrogen 2.850 N/A ARG 155.A N GLU 86.A O no hydrogen 3.268 N/A ARG 155.A NH1 GLU 86.A OE2 no hydrogen 3.307 N/A GLN 159.A N LEU 154.A O no hydrogen 3.168 N/A ALA 161.A N GLY 152.A O no hydrogen 2.844 N/A ILE 163.A N LYS 60.A O no hydrogen 2.885 N/A CYS 166.A N GLU 47.A OE1 no hydrogen 2.666 N/A CYS 166.A SG GLU 47.A OE1 no hydrogen 3.176 N/A CYS 169.A N CYS 166.A O no hydrogen 3.301 N/A CYS 169.A SG CYS 166.A O no hydrogen 3.271 N/A LEU 170.A N LEU 141.A O no hydrogen 2.907 N/A TYR 171.A OH ARG 192.A O no hydrogen 2.450 N/A VAL 178.A N ASP 175.A OD1 no hydrogen 2.425 N/A CYS 179.A N ASP 175.A O no hydrogen 2.745 N/A CYS 179.A SG ASP 175.A O no hydrogen 3.419 N/A CYS 179.A SG HIS 253.A ND1 no hydrogen 3.388 N/A GLN 180.A N ASP 176.A O no hydrogen 3.227 N/A LYS 181.A N VAL 177.A O no hydrogen 3.298 N/A VAL 182.A N VAL 178.A O no hydrogen 2.996 N/A LEU 183.A N CYS 179.A O no hydrogen 2.824 N/A SER 184.A N GLN 180.A O no hydrogen 3.093 N/A SER 184.A OG GLN 180.A O no hydrogen 2.981 N/A ASN 185.A N LYS 181.A O no hydrogen 3.136 N/A GLU 188.A N ASN 185.A OD1 no hydrogen 3.186 N/A LEU 189.A N ASN 185.A O no hydrogen 3.073 N/A ASN 190.A N ILE 186.A O no hydrogen 2.838 N/A ARG 192.A NH1 GLU 188.A O no hydrogen 2.829 N/A ILE 193.A N ASN 190.A O no hydrogen 2.973 N/A TYR 194.A N ASN 190.A O no hydrogen 2.978 N/A ASN 195.A N ALA 191.A O no hydrogen 3.124 N/A PHE 196.A N ALA 191.A O no hydrogen 2.853 N/A SER 199.A N ILE 209.A O no hydrogen 3.070 N/A LYS 202.A N THR 107.A O no hydrogen 2.889 N/A LYS 202.A NZ ASP 106.A OD2 no hydrogen 2.697 N/A ASP 203.A N LYS 207.A O no hydrogen 3.364 N/A ILE 209.A N LEU 201.A O no hydrogen 3.143 N/A ASN 210.A ND2 TYR 194.A O no hydrogen 2.817 N/A TYR 211.A OH ASN 143.A O no hydrogen 2.497 N/A ASP 213.A N ASN 210.A OD1 no hydrogen 3.116 N/A PHE 214.A N ASN 210.A O no hydrogen 2.895 N/A LEU 215.A N TYR 211.A O no hydrogen 2.854 N/A THR 216.A N ASP 213.A O no hydrogen 3.221 N/A THR 216.A OG1 TYR 212.A O no hydrogen 2.846 N/A THR 216.A OG1 ASP 213.A O no hydrogen 3.319 N/A GLN 217.A N PHE 214.A O no hydrogen 3.242 N/A THR 218.A N PHE 214.A O no hydrogen 3.106 N/A ASN 220.A N THR 218.A OG1 no hydrogen 3.012 N/A LYS 221.A NZ ASP 225.A OD2 no hydrogen 2.763 N/A CYS 223.A N ASN 220.A OD1 no hydrogen 3.181 N/A LEU 224.A N ASN 220.A O no hydrogen 3.242 N/A ASP 225.A N LYS 221.A O no hydrogen 2.661 N/A ALA 226.A N ASP 222.A O no hydrogen 3.226 N/A LEU 227.A N CYS 223.A O no hydrogen 2.880 N/A LEU 228.A N LEU 224.A O no hydrogen 2.875 N/A ARG 229.A N ASP 225.A O no hydrogen 2.913 N/A ARG 229.A NE ASP 133.A OD1 no hydrogen 3.155 N/A ILE 230.A N ALA 226.A O no hydrogen 2.809 N/A TYR 231.A N LEU 227.A O no hydrogen 2.707 N/A TYR 231.A OH ASP 270.A OD1 no hydrogen 2.991 N/A ARG 233.A N ILE 230.A O no hydrogen 2.878 N/A ARG 233.A NH1 LEU 57.A O no hydrogen 3.021 N/A ILE 234.A N TYR 231.A O no hydrogen 2.867 N/A LYS 238.A N ASP 235.A OD1 no hydrogen 3.205 N/A ILE 239.A N ASP 235.A O no hydrogen 2.907 N/A HIS 240.A N MET 236.A O no hydrogen 3.115 N/A HIS 240.A NE2 HIS 258.A O no hydrogen 3.182 N/A SER 241.A N ASN 237.A O no hydrogen 2.844 N/A ILE 242.A N LYS 238.A O no hydrogen 2.846 N/A ILE 243.A N ILE 239.A O no hydrogen 2.988 N/A ASP 244.A N HIS 240.A O no hydrogen 2.791 N/A ASN 245.A N SER 241.A O no hydrogen 2.757 N/A THR 246.A N ILE 243.A O no hydrogen 3.365 N/A THR 246.A OG1 ILE 242.A O no hydrogen 2.752 N/A THR 246.A OG1 ILE 243.A O no hydrogen 2.529 N/A SER 250.A OG ASP 176.A OD1 no hydrogen 3.524 N/A HIS 253.A N SER 250.A OG no hydrogen 3.124 N/A LYS 254.A N SER 250.A O no hydrogen 2.763 N/A LYS 254.A NZ ASP 244.A O no hydrogen 2.602 N/A GLU 255.A N GLU 251.A O no hydrogen 2.933 N/A PHE 256.A N ILE 252.A O no hydrogen 3.049 N/A LEU 257.A N HIS 253.A O no hydrogen 3.306 N/A HIS 258.A N LYS 254.A O no hydrogen 3.393 N/A HIS 258.A NE2 HIS 240.A O no hydrogen 3.203 N/A THR 259.A N GLU 255.A O no hydrogen 2.937 N/A THR 259.A OG1 GLU 255.A O no hydrogen 3.353 N/A MET 260.A N PHE 256.A O no hydrogen 2.864 N/A LEU 261.A N LEU 257.A O no hydrogen 2.429 N/A ASP 262.A N HIS 258.A O no hydrogen 2.967 N/A GLU 263.A N THR 259.A O no hydrogen 2.845 N/A ARG 264.A N MET 260.A O no hydrogen 3.003 N/A ARG 264.A NE THR 139.A O no hydrogen 3.098 N/A ARG 264.A NE LEU 140.A O no hydrogen 3.101 N/A ARG 264.A NH1 ARG 192.A O no hydrogen 3.461 N/A ARG 264.A NH2 THR 139.A O no hydrogen 2.717 N/A LYS 265.A N LEU 261.A O no hydrogen 2.905 N/A LYS 265.A NZ TYR 231.A OH no hydrogen 3.258 N/A LYS 265.A NZ ASP 270.A OD1 no hydrogen 2.492 N/A LYS 265.A NZ ASP 270.A OD2 no hydrogen 3.344 N/A SER 266.A N ASP 262.A O no hydrogen 2.851 N/A LYS 267.A N GLU 263.A O no hydrogen 2.755 N/A LYS 267.A NZ GLU 263.A OE1 no hydrogen 2.834 N/A ILE 268.A N ARG 264.A O no hydrogen 2.996 N/A ILE 269.A N ARG 264.A O no hydrogen 3.243 N/A ASP 270.A N LYS 265.A O no hydrogen 2.828 N/A ALA 272.A N ILE 268.A O no hydrogen 2.722 N/A HIS 273.A N ILE 269.A O no hydrogen 2.574 N/A THR 274.A N ASP 270.A O no hydrogen 2.720 N/A THR 274.A OG1 ASP 270.A O no hydrogen 3.235 N/A ARG 275.A N VAL 271.A O no hydrogen 3.128 N/A ARG 275.A NH1 THR 218.A O no hydrogen 3.136 N/A ARG 275.A NH2 THR 218.A O no hydrogen 3.113 N/A ALA 276.A N ALA 272.A O no hydrogen 2.898 N/A ILE 277.A N HIS 273.A O no hydrogen 3.262 N/A GLU 278.A N THR 274.A O no hydrogen 3.231 N/A LEU 279.A N ALA 276.A O no hydrogen 2.568 N/A SER 280.A N ILE 277.A O no hydrogen 2.802 N/A SER 280.A OG ILE 277.A O no hydrogen 3.555 N/A