Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.868 N/A PHE 4.A N MET 1.A O no hydrogen 2.999 N/A GLN 5.A N ARG 22.A O no hydrogen 2.840 N/A VAL 7.A N LYS 20.A O no hydrogen 2.751 N/A GLU 8.A N LYS 20.A O no hydrogen 3.375 N/A LYS 9.A NZ GLU 12.A OE2 no hydrogen 2.744 N/A ILE 10.A N VAL 18.A O no hydrogen 2.857 N/A GLY 11.A N VAL 18.A O no hydrogen 3.387 N/A GLY 13.A N GLY 16.A O no hydrogen 2.913 N/A TYR 15.A OH GLY 146.A O no hydrogen 2.806 N/A VAL 18.A N GLY 11.A O no hydrogen 2.954 N/A TYR 19.A N LEU 32.A O no hydrogen 2.883 N/A LYS 20.A N GLU 8.A O no hydrogen 2.849 N/A ALA 21.A N VAL 30.A O no hydrogen 2.907 N/A ARG 22.A N GLN 5.A O no hydrogen 2.850 N/A ARG 22.A NH1.A GLY 27.A O no hydrogen 3.010 N/A ARG 22.A NH1.B GLN 5.A OE1 no hydrogen 3.564 N/A ASN 23.A N GLU 28.A O no hydrogen 2.744 N/A LYS 24.A N ASN 3.A O no hydrogen 2.913 N/A LYS 24.A NZ.A GLU 2.A O no hydrogen 2.978 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.923 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.087 N/A THR 26.A OG1 GLU 28.A OE1 no hydrogen 2.803 N/A GLY 27.A N ASN 23.A O no hydrogen 2.722 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.133 N/A VAL 30.A N ALA 21.A O no hydrogen 2.843 N/A ALA 31.A N PHE 73.A O no hydrogen 2.848 N/A LEU 32.A N TYR 19.A O no hydrogen 2.743 N/A LYS 33.A N LEU 71.A O no hydrogen 2.840 N/A LYS 33.A NZ ASP 138.A OD1 no hydrogen 2.962 N/A LYS 34.A N VAL 17.A O no hydrogen 3.161 N/A ILE 35.A N LEU 69.A O no hydrogen 2.973 N/A ARG 36.A N TYR 15.A O no hydrogen 2.645 N/A ILE 42.A N PRO 38.A O no hydrogen 3.236 N/A ARG 43.A N SER 39.A O no hydrogen 3.020 N/A GLU 44.A N THR 40.A O no hydrogen 3.053 N/A ILE 45.A N ALA 41.A O no hydrogen 2.885 N/A SER 46.A N ILE 42.A O no hydrogen 2.930 N/A SER 46.A OG ILE 42.A O no hydrogen 2.704 N/A LEU 47.A N ARG 43.A O no hydrogen 3.137 N/A LEU 48.A N GLU 44.A O no hydrogen 3.267 N/A LYS 49.A N SER 46.A O no hydrogen 3.111 N/A LYS 49.A NZ.B LEU 60.A O no hydrogen 3.414 N/A LYS 49.A NZ.B ASP 61.A OD1 no hydrogen 2.891 N/A GLU 50.A N LEU 47.A O no hydrogen 3.209 N/A LEU 51.A N LEU 48.A O no hydrogen 3.083 N/A ASN 52.A N GLU 50.A O no hydrogen 2.972 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.402 N/A ASN 55.A N HIS 53.A ND1 no hydrogen 2.903 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.158 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.897 N/A ILE 56.A N HIS 53.A O no hydrogen 3.003 N/A VAL 57.A N LEU 136.A O no hydrogen 2.918 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 2.921 N/A LEU 60.A N VAL 72.A O no hydrogen 2.717 N/A ASP 61.A N VAL 72.A O no hydrogen 3.243 N/A ILE 63.A N TYR 70.A O no hydrogen 2.891 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 2.724 N/A THR 65.A N LYS 68.A O no hydrogen 2.629 N/A LYS 68.A NZ GLU 66.A OE1 no hydrogen 3.124 N/A TYR 70.A N ILE 63.A O no hydrogen 2.852 N/A LEU 71.A N LYS 33.A O no hydrogen 2.857 N/A VAL 72.A N ASP 61.A O no hydrogen 2.864 N/A PHE 73.A N ALA 31.A O no hydrogen 2.843 N/A GLU 74.A N LYS 58.A O no hydrogen 2.877 N/A ASP 79.A N GLN 78.A OE1.A no hydrogen 3.103 N/A LEU 80.A N LEU 126.A O no hydrogen 2.798 N/A LYS 81.A NZ ASP 85.A OD1 no hydrogen 3.265 N/A LYS 81.A NZ ASP 85.A OD2 no hydrogen 3.191 N/A LYS 82.A N ASP 79.A OD1.A no hydrogen 2.716 N/A LYS 82.A N ASP 79.A OD2.B no hydrogen 3.086 N/A LYS 82.A NZ ASP 79.A OD1.B no hydrogen 2.948 N/A PHE 83.A N ASP 79.A O no hydrogen 3.109 N/A MET 84.A N LEU 80.A O no hydrogen 2.766 N/A ASP 85.A N LYS 81.A O no hydrogen 2.976 N/A ALA 86.A N LYS 82.A O no hydrogen 2.885 N/A SER 87.A N PHE 83.A O no hydrogen 2.942 N/A SER 87.A N MET 84.A O no hydrogen 3.244 N/A SER 87.A OG PHE 83.A O no hydrogen 2.790 N/A ALA 88.A N ASP 85.A O no hydrogen 3.279 N/A THR 90.A OG1 SER 87.A O no hydrogen 3.527 N/A GLY 91.A N SER 87.A O no hydrogen 2.545 N/A LEU 96.A N PRO 93.A O no hydrogen 2.917 N/A ILE 97.A N PRO 93.A O no hydrogen 2.968 N/A LYS 98.A N LEU 94.A O no hydrogen 2.869 N/A LYS 98.A NZ PHE 278.A O no hydrogen 2.860 N/A LYS 98.A NZ ASP 281.A OD1 no hydrogen 2.618 N/A SER 99.A N PRO 95.A O no hydrogen 2.993 N/A SER 99.A OG THR 283.A O no hydrogen 3.311 N/A TYR 100.A N LEU 96.A O no hydrogen 2.877 N/A LEU 101.A N ILE 97.A O no hydrogen 2.873 N/A PHE 102.A N LYS 98.A O no hydrogen 2.902 N/A GLN 103.A N SER 99.A O no hydrogen 2.965 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.446 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 3.040 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 2.943 N/A LEU 104.A N TYR 100.A O no hydrogen 2.883 N/A LEU 105.A N LEU 101.A O no hydrogen 2.911 N/A GLN 106.A N PHE 102.A O no hydrogen 3.023 N/A GLN 106.A NE2 PHE 102.A O no hydrogen 3.592 N/A GLY 107.A N GLN 103.A O no hydrogen 3.037 N/A LEU 108.A N LEU 104.A O no hydrogen 2.924 N/A ALA 109.A N LEU 105.A O no hydrogen 2.796 N/A PHE 110.A N GLN 106.A O no hydrogen 3.044 N/A CYS 111.A N GLY 107.A O no hydrogen 3.048 N/A CYS 111.A SG.A GLY 107.A O no hydrogen 3.622 N/A CYS 111.A SG.B GLY 107.A O no hydrogen 3.569 N/A CYS 111.A SG.B LEU 108.A O no hydrogen 3.318 N/A CYS 111.A SG.B VAL 116.A O no hydrogen 3.391 N/A HIS 112.A N LEU 108.A O no hydrogen 2.780 N/A HIS 112.A NE2 ASP 178.A OD2 no hydrogen 2.892 N/A SER 113.A N ALA 109.A O no hydrogen 2.993 N/A SER 113.A OG PHE 110.A O no hydrogen 2.701 N/A HIS 114.A N CYS 111.A O no hydrogen 2.956 N/A ARG 115.A N HIS 112.A O no hydrogen 2.865 N/A VAL 116.A N CYS 111.A O no hydrogen 3.029 N/A HIS 118.A N ASP 178.A OD2 no hydrogen 2.806 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.843 N/A ARG 119.A N ASP 178.A OD1 no hydrogen 2.807 N/A ARG 119.A NE.A ARG 119.A O no hydrogen 2.923 N/A ARG 119.A NH1.A TYR 173.A OH no hydrogen 3.165 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 2.956 N/A LYS 122.A N ASN 125.A OD1.A no hydrogen 3.037 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 2.865 N/A GLN 124.A N GLN 124.A OE1.A no hydrogen 2.782 N/A ASN 125.A N.A LYS 122.A O no hydrogen 2.945 N/A ASN 125.A N.B LYS 122.A O no hydrogen 2.887 N/A ASN 125.A ND2.A ASP 120.A O no hydrogen 2.865 N/A ASN 125.A ND2.B ASP 120.A O no hydrogen 3.143 N/A LEU 126.A N PRO 123.A O no hydrogen 3.161 N/A LEU 127.A N LYS 135.A O no hydrogen 2.847 N/A ILE 128.A N GLN 78.A O no hydrogen 2.858 N/A ASN 129.A N ALA 133.A O no hydrogen 3.197 N/A GLU 131.A N ASN 129.A OD1 no hydrogen 3.019 N/A GLY 132.A N ASN 129.A O no hydrogen 3.520 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 3.025 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.136 N/A LYS 135.A N LEU 127.A O no hydrogen 2.792 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 3.423 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 2.751 N/A LEU 136.A N ASN 55.A O no hydrogen 2.872 N/A ALA 137.A N ASN 125.A O.A no hydrogen 2.826 N/A ALA 137.A N ASN 125.A O.B no hydrogen 2.760 N/A LEU 141.A N ASP 138.A O no hydrogen 3.300 N/A ALA 144.A N GLY 140.A O no hydrogen 3.322 N/A PHE 145.A N LEU 141.A O no hydrogen 2.814 N/A GLY 146.A N ALA 142.A O no hydrogen 2.567 N/A ARG 150.A NH1 HIS 154.A O no hydrogen 3.099 N/A THR 151.A N GLU 155.A O no hydrogen 2.818 N/A THR 151.A OG1 THR 153.A OG1 no hydrogen 2.894 N/A TYR 152.A N THR 14.A O no hydrogen 3.260 N/A THR 153.A N THR 151.A OG1 no hydrogen 3.170 N/A THR 153.A OG1 THR 151.A OG1 no hydrogen 2.894 N/A HIS 154.A N THR 151.A O no hydrogen 2.880 N/A VAL 157.A N VAL 149.A O no hydrogen 3.039 N/A TRP 160.A N THR 158.A OG1 no hydrogen 3.273 N/A TYR 161.A OH GLU 188.A OE1 no hydrogen 2.647 N/A ARG 162.A N LEU 159.A O no hydrogen 3.059 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.714 N/A ILE 166.A N ALA 163.A O no hydrogen 3.042 N/A LEU 167.A N ALA 163.A O no hydrogen 3.269 N/A LEU 168.A N PRO 164.A O no hydrogen 2.860 N/A GLY 169.A N ILE 166.A O no hydrogen 3.013 N/A CYS 170.A N GLU 165.A O no hydrogen 2.941 N/A ALA 176.A N SER 174.A OG no hydrogen 3.080 N/A VAL 177.A N SER 174.A O no hydrogen 3.010 N/A ASP 178.A N THR 175.A O no hydrogen 3.016 N/A TRP 180.A N ALA 176.A O no hydrogen 3.094 N/A SER 181.A N VAL 177.A O no hydrogen 3.186 N/A SER 181.A OG TYR 161.A O no hydrogen 2.703 N/A SER 181.A OG VAL 177.A O no hydrogen 3.139 N/A LEU 182.A N ASP 178.A O no hydrogen 2.942 N/A GLY 183.A N ILE 179.A O no hydrogen 2.870 N/A CYS 184.A N TRP 180.A O no hydrogen 2.985 N/A CYS 184.A SG TRP 180.A O no hydrogen 3.550 N/A ILE 185.A N SER 181.A O no hydrogen 3.031 N/A PHE 186.A N LEU 182.A O no hydrogen 2.838 N/A ALA 187.A N GLY 183.A O no hydrogen 3.012 N/A GLU 188.A N CYS 184.A O no hydrogen 3.078 N/A MET 189.A N ILE 185.A O no hydrogen 2.903 N/A VAL 190.A N PHE 186.A O no hydrogen 3.121 N/A THR 191.A N ALA 187.A O no hydrogen 2.946 N/A THR 191.A OG1 ALA 187.A O no hydrogen 3.001 N/A ARG 192.A N GLU 188.A O no hydrogen 2.879 N/A ARG 192.A NH1 ALA 88.A O no hydrogen 3.231 N/A ARG 193.A N THR 191.A OG1 no hydrogen 3.389 N/A GLY 198.A N PHE 196.A O no hydrogen 2.889 N/A ASP 199.A N ASP 203.A OD2 no hydrogen 3.145 N/A ASP 203.A N SER 200.A OG no hydrogen 3.096 N/A GLN 204.A N SER 200.A O no hydrogen 2.866 N/A GLN 204.A NE2 TRP 160.A O no hydrogen 3.270 N/A GLN 204.A NE2 PHE 196.A O no hydrogen 2.943 N/A LEU 205.A N GLU 201.A O no hydrogen 2.965 N/A PHE 206.A N ILE 202.A O no hydrogen 2.856 N/A ARG 207.A N ASP 203.A O no hydrogen 2.911 N/A ARG 207.A NE ASP 203.A OD2 no hydrogen 2.997 N/A ILE 208.A N GLN 204.A O no hydrogen 3.071 N/A PHE 209.A N LEU 205.A O no hydrogen 2.912 N/A ARG 210.A N PHE 206.A O no hydrogen 2.899 N/A THR 211.A N ARG 207.A O no hydrogen 3.364 N/A THR 211.A N ILE 208.A O no hydrogen 3.209 N/A LEU 212.A N ILE 208.A O no hydrogen 2.857 N/A GLY 213.A N PHE 209.A O no hydrogen 2.775 N/A THR 214.A N TRP 236.A O no hydrogen 2.943 N/A THR 214.A OG1 PRO 234.A O no hydrogen 2.714 N/A VAL 219.A N ASP 216.A OD1 no hydrogen 3.136 N/A TRP 220.A N ASP 216.A O no hydrogen 2.896 N/A GLY 222.A N GLU 217.A OE1 no hydrogen 2.765 N/A VAL 223.A N TRP 220.A O no hydrogen 2.954 N/A THR 224.A N GLU 217.A OE2 no hydrogen 2.996 N/A THR 224.A OG1 GLU 217.A OE2 no hydrogen 2.662 N/A SER 225.A N.A GLY 222.A O no hydrogen 3.073 N/A SER 225.A N.B GLY 222.A O no hydrogen 3.040 N/A SER 225.A OG.A GLY 222.A O no hydrogen 2.906 N/A MET 226.A N VAL 223.A O no hydrogen 3.123 N/A ASP 228.A N LEU 168.A O no hydrogen 2.891 N/A TYR 229.A N MET 226.A O no hydrogen 3.125 N/A PHE 233.A N LYS 230.A O no hydrogen 2.965 N/A LYS 235.A NZ.B TYR 229.A OH no hydrogen 3.251 N/A LYS 235.A NZ.B PHE 233.A O no hydrogen 3.076 N/A TRP 236.A N THR 214.A OG1 no hydrogen 2.931 N/A ARG 238.A NH1 LEU 212.A O no hydrogen 2.982 N/A GLN 239.A N THR 211.A O no hydrogen 2.776 N/A GLN 239.A NE2.B ALA 237.A O no hydrogen 3.276 N/A SER 242.A N ASP 240.A OD1.B no hydrogen 2.974 N/A SER 242.A OG ASP 240.A OD1.B no hydrogen 2.903 N/A LYS 243.A N ASP 240.A O no hydrogen 2.860 N/A LYS 243.A NZ.B GLN 239.A OE1.B no hydrogen 2.907 N/A VAL 244.A N ASP 240.A O no hydrogen 3.339 N/A VAL 245.A N PHE 241.A O no hydrogen 3.003 N/A LEU 248.A N VAL 245.A O no hydrogen 2.931 N/A GLY 252.A N ASP 249.A OD1.A no hydrogen 2.982 N/A GLY 252.A N ASP 249.A OD1.B no hydrogen 2.734 N/A ARG 253.A N ASP 249.A O no hydrogen 2.884 N/A ARG 253.A NH1 LEU 248.A O no hydrogen 2.746 N/A SER 254.A N GLU 250.A O no hydrogen 2.902 N/A SER 254.A OG HIS 276.A NE2 no hydrogen 2.903 N/A LEU 255.A N ASP 251.A O no hydrogen 2.997 N/A LEU 256.A N GLY 252.A O no hydrogen 2.866 N/A SER 257.A N ARG 253.A O no hydrogen 2.904 N/A SER 257.A OG.A ARG 253.A O no hydrogen 3.347 N/A SER 257.A OG.A SER 254.A O no hydrogen 2.784 N/A GLN 258.A N SER 254.A O no hydrogen 3.145 N/A GLN 258.A NE2 SER 254.A O no hydrogen 3.267 N/A GLN 258.A NE2 SER 254.A OG no hydrogen 3.149 N/A MET 259.A N LEU 255.A O no hydrogen 2.989 N/A LEU 260.A N LEU 256.A O no hydrogen 3.040 N/A LEU 260.A N SER 257.A O no hydrogen 3.263 N/A TYR 262.A OH GLY 213.A O no hydrogen 2.675 N/A ASN 265.A N ASP 263.A OD1 no hydrogen 2.928 N/A LYS 266.A N ASP 263.A O no hydrogen 2.877 N/A LYS 266.A NZ VAL 219.A O no hydrogen 3.132 N/A LYS 266.A NZ ASP 263.A OD2 no hydrogen 3.049 N/A ARG 267.A N ASP 263.A O no hydrogen 3.087 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.872 N/A ARG 267.A NH1 GLU 165.A OE1 no hydrogen 3.414 N/A ARG 267.A NH1 GLU 165.A OE2 no hydrogen 2.807 N/A ARG 267.A NH1 ALA 176.A O no hydrogen 2.978 N/A ARG 267.A NH2 GLU 165.A OE1 no hydrogen 2.895 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.170 N/A ARG 267.A NH2 TYR 262.A O no hydrogen 2.933 N/A ILE 268.A N GLN 258.A O no hydrogen 3.048 N/A ALA 272.A N SER 269.A OG no hydrogen 2.973 N/A ALA 273.A N SER 269.A O no hydrogen 2.873 N/A LEU 274.A N ALA 270.A O no hydrogen 3.043 N/A ALA 275.A N ALA 272.A O no hydrogen 3.093 N/A HIS 276.A N ALA 273.A O no hydrogen 2.955 N/A HIS 276.A NE2 SER 254.A OG no hydrogen 2.903 N/A PHE 278.A N HIS 276.A ND1 no hydrogen 2.921 N/A PHE 279.A N HIS 276.A O no hydrogen 2.978 N/A GLN 280.A N PRO 277.A O no hydrogen 3.002 N/A VAL 282.A N PHE 279.A O no hydrogen 3.135 N/A