Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pbs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ASP 2.A OD1 no hydrogen 2.842 N/A MET 6.A N ASP 2.A O no hydrogen 3.065 N/A ILE 7.A N GLU 3.A O no hydrogen 2.789 N/A LYS 8.A N PHE 4.A O no hydrogen 2.769 N/A LYS 8.A NZ GLU 17.A OE2 no hydrogen 3.087 N/A ARG 9.A N GLU 5.A O no hydrogen 2.931 N/A ARG 9.A N MET 6.A O no hydrogen 3.385 N/A ASN 10.A ND2 LYS 246.A O no hydrogen 3.501 N/A THR 11.A N LYS 8.A O no hydrogen 3.180 N/A THR 11.A OG1 LYS 8.A O no hydrogen 2.686 N/A SER 12.A N HIS 192.A O no hydrogen 2.706 N/A GLU 13.A N HIS 192.A O no hydrogen 3.295 N/A ILE 15.A N CYS 190.A O no hydrogen 2.693 N/A SER 16.A OG GLU 18.A OE1 no hydrogen 3.389 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.431 N/A GLU 19.A N SER 16.A OG no hydrogen 3.246 N/A LEU 20.A N SER 16.A O no hydrogen 2.980 N/A ARG 21.A N GLU 17.A O no hydrogen 3.064 N/A GLU 22.A N GLU 18.A O no hydrogen 3.206 N/A VAL 23.A N GLU 19.A O no hydrogen 2.964 N/A LEU 24.A N LEU 20.A O no hydrogen 2.938 N/A LYS 25.A N GLU 22.A O no hydrogen 3.119 N/A LYS 26.A N VAL 23.A O no hydrogen 3.088 N/A LYS 26.A NZ ASP 165.A OD1 no hydrogen 2.800 N/A LYS 26.A NZ ASP 165.A OD2 no hydrogen 3.426 N/A LYS 29.A NZ LYS 26.A O no hydrogen 2.913 N/A SER 30.A N ASP 165.A OD2 no hydrogen 2.873 N/A ALA 31.A N ASP 61.A O no hydrogen 2.769 N/A GLY 32.A N VAL 166.A O no hydrogen 2.995 N/A ILE 33.A N ILE 63.A O no hydrogen 3.148 N/A PHE 35.A N GLU 65.A O no hydrogen 2.956 N/A SER 38.A N ASN 89.A OD1 no hydrogen 2.843 N/A SER 38.A OG LYS 40.A O no hydrogen 2.726 N/A SER 38.A OG SER 207.A OG no hydrogen 3.316 N/A HIS 42.A N HIS 45.A ND1 no hydrogen 3.068 N/A HIS 42.A NE2 SER 207.A OG no hydrogen 3.078 N/A LEU 43.A N ILE 213.A O no hydrogen 3.120 N/A GLY 44.A N HIS 42.A ND1 no hydrogen 3.019 N/A TYR 46.A N HIS 42.A O no hydrogen 3.023 N/A LEU 47.A N LEU 43.A O no hydrogen 2.854 N/A GLN 48.A N.A GLY 44.A O no hydrogen 3.407 N/A GLN 48.A N.C GLY 44.A O no hydrogen 3.423 N/A GLN 48.A N.C HIS 45.A O no hydrogen 2.952 N/A GLN 48.A NE2.A GLY 44.A O no hydrogen 3.481 N/A ILE 49.A N HIS 45.A O no hydrogen 2.891 N/A LYS 50.A N TYR 46.A O no hydrogen 2.783 N/A LYS 51.A N LEU 47.A O no hydrogen 3.142 N/A LYS 51.A NZ ILE 7.A O no hydrogen 2.651 N/A LYS 51.A NZ ARG 9.A O no hydrogen 2.860 N/A LYS 51.A NZ ASP 54.A OD2 no hydrogen 2.722 N/A MET 52.A N GLN 48.A O.A no hydrogen 2.862 N/A MET 52.A N GLN 48.A O.C no hydrogen 3.001 N/A ILE 53.A N ILE 49.A O no hydrogen 2.768 N/A ASP 54.A N LYS 50.A O no hydrogen 2.926 N/A LEU 55.A N LYS 51.A O no hydrogen 3.189 N/A GLN 56.A N MET 52.A O no hydrogen 2.914 N/A GLN 56.A NE2 ASN 57.A OD1 no hydrogen 3.364 N/A ASN 57.A N ILE 53.A O no hydrogen 2.847 N/A ALA 58.A N ASP 54.A O no hydrogen 2.873 N/A GLY 59.A N GLN 56.A O no hydrogen 2.749 N/A PHE 60.A N LEU 55.A O no hydrogen 2.909 N/A ASP 61.A N LYS 29.A O no hydrogen 2.943 N/A ILE 63.A N ALA 31.A O no hydrogen 2.868 N/A ILE 64.A N LYS 101.A O no hydrogen 2.821 N/A GLU 65.A N ILE 33.A O no hydrogen 2.821 N/A LEU 66.A N VAL 103.A O.A no hydrogen 2.731 N/A LEU 66.A N VAL 103.A O.B no hydrogen 2.694 N/A ALA 67.A N PHE 35.A O no hydrogen 2.985 N/A ASP 68.A N LEU 66.A O no hydrogen 2.779 N/A ALA 71.A N ALA 67.A O no hydrogen 2.995 N/A TYR 72.A N ASP 68.A O no hydrogen 2.911 N/A LEU 73.A N LEU 69.A O no hydrogen 2.853 N/A ASN 74.A N HIS 70.A O no hydrogen 2.825 N/A ASN 74.A ND2 GLU 36.A OE2 no hydrogen 3.084 N/A ASN 74.A ND2 ILE 137.A O no hydrogen 2.973 N/A GLN 75.A N TYR 72.A O no hydrogen 3.217 N/A GLN 75.A NE2 ASP 141.A OD2 no hydrogen 2.960 N/A LYS 76.A N ALA 71.A O no hydrogen 2.977 N/A LYS 76.A NZ GLU 36.A OE1 no hydrogen 3.100 N/A LYS 76.A NZ ASN 74.A O no hydrogen 3.003 N/A ILE 82.A N GLU 78.A O no hydrogen 2.868 N/A ARG 83.A N LEU 79.A O no hydrogen 2.750 N/A ARG 83.A NE ASP 68.A OD2 no hydrogen 3.051 N/A ARG 83.A NH2 SER 106.A OG no hydrogen 3.067 N/A LYS 84.A N ASP 80.A O no hydrogen 3.006 N/A ILE 85.A N GLU 81.A O no hydrogen 3.232 N/A GLY 86.A N ILE 82.A O no hydrogen 2.814 N/A ASP 87.A N ARG 83.A O no hydrogen 3.105 N/A TYR 88.A N LYS 84.A O no hydrogen 3.204 N/A ASN 89.A N ILE 85.A O no hydrogen 3.027 N/A ASN 89.A ND2 SER 38.A O no hydrogen 2.917 N/A LYS 90.A N GLY 86.A O no hydrogen 3.118 N/A LYS 91.A N ASP 87.A O no hydrogen 3.297 N/A VAL 92.A N TYR 88.A O no hydrogen 3.090 N/A PHE 93.A N ASN 89.A O no hydrogen 2.801 N/A GLU 94.A N LYS 90.A O no hydrogen 2.740 N/A ALA 95.A N LYS 91.A O no hydrogen 2.798 N/A MET 96.A N VAL 92.A O no hydrogen 2.897 N/A GLY 97.A N GLU 94.A O no hydrogen 2.710 N/A LEU 98.A N PHE 93.A O no hydrogen 3.328 N/A LYS 99.A N GLN 56.A OE1 no hydrogen 3.223 N/A LYS 101.A N ILE 62.A O no hydrogen 3.058 N/A LYS 101.A NZ ASP 61.A OD1 no hydrogen 3.400 N/A VAL 103.A N.A ILE 64.A O no hydrogen 3.059 N/A VAL 103.A N.B ILE 64.A O no hydrogen 3.057 N/A TYR 104.A N GLU 107.A OE2 no hydrogen 2.700 N/A GLY 105.A N LEU 66.A O no hydrogen 3.084 N/A SER 106.A N ASP 68.A OD1 no hydrogen 2.948 N/A SER 106.A OG ASP 68.A OD2 no hydrogen 2.544 N/A GLU 107.A N TYR 104.A O no hydrogen 2.903 N/A PHE 108.A N GLY 105.A O no hydrogen 2.961 N/A GLN 109.A N GLY 105.A O no hydrogen 2.920 N/A GLN 109.A NE2 GLU 65.A OE1 no hydrogen 2.827 N/A ASP 111.A N PHE 108.A O no hydrogen 3.321 N/A TYR 114.A OH MET 154.A O no hydrogen 2.580 N/A THR 115.A N ASP 111.A O no hydrogen 2.870 N/A THR 115.A OG1 ASP 111.A O no hydrogen 3.255 N/A LEU 116.A N LYS 112.A O no hydrogen 2.975 N/A ASN 117.A N ASP 113.A O no hydrogen 3.106 N/A VAL 118.A N TYR 114.A O no hydrogen 2.875 N/A TYR 119.A N THR 115.A O no hydrogen 2.986 N/A ARG 120.A N LEU 116.A O no hydrogen 2.867 N/A LEU 121.A N ASN 117.A O no hydrogen 2.918 N/A ALA 122.A N VAL 118.A O no hydrogen 2.837 N/A LEU 123.A N TYR 119.A O no hydrogen 3.277 N/A LEU 123.A N ARG 120.A O no hydrogen 3.081 N/A LYS 124.A N LEU 121.A O no hydrogen 2.861 N/A THR 125.A OG1 LEU 121.A O no hydrogen 2.867 N/A ARG 129.A N THR 126.A OG1 no hydrogen 2.992 N/A ARG 129.A NH2 GLU 182.A OE1 no hydrogen 2.859 N/A ALA 130.A N THR 126.A O no hydrogen 2.832 N/A ARG 131.A N LEU 127.A O no hydrogen 2.849 N/A ARG 131.A NE GLU 148.A OE2 no hydrogen 3.209 N/A ARG 132.A N LYS 128.A O no hydrogen 2.999 N/A SER 133.A N ARG 129.A O no hydrogen 3.251 N/A SER 133.A OG ALA 130.A O no hydrogen 2.687 N/A MET 134.A N ARG 131.A O no hydrogen 3.326 N/A GLU 135.A N ARG 132.A O no hydrogen 3.262 N/A ILE 137.A N MET 134.A O no hydrogen 2.964 N/A ALA 138.A N MET 134.A O no hydrogen 2.800 N/A ARG 139.A N ASN 74.A OD1 no hydrogen 2.938 N/A ARG 139.A NH1 GLN 75.A OE1 no hydrogen 3.557 N/A ASN 143.A N ASP 141.A OD1 no hydrogen 2.873 N/A LYS 145.A NZ ASP 141.A OD2 no hydrogen 2.900 N/A LYS 145.A NZ ASN 143.A O no hydrogen 2.765 N/A GLU 148.A N LYS 145.A O no hydrogen 2.969 N/A VAL 149.A N VAL 146.A O no hydrogen 2.956 N/A ILE 150.A N VAL 146.A O no hydrogen 3.288 N/A ILE 150.A N ALA 147.A O no hydrogen 3.148 N/A TYR 151.A N ALA 147.A O no hydrogen 3.157 N/A TYR 151.A OH GLU 36.A OE2 no hydrogen 2.578 N/A MET 154.A N ILE 150.A O no hydrogen 3.013 N/A GLN 155.A N TYR 151.A O no hydrogen 2.983 N/A GLN 155.A NE2 GLN 173.A OE1 no hydrogen 3.201 N/A VAL 156.A N PRO 152.A O no hydrogen 2.973 N/A ASN 157.A N ILE 153.A O.A no hydrogen 3.011 N/A ASN 157.A N ILE 153.A O.B no hydrogen 2.883 N/A GLY 158.A N MET 154.A O no hydrogen 2.949 N/A CYS 159.A N GLN 155.A O no hydrogen 3.167 N/A CYS 159.A SG GLN 155.A O no hydrogen 3.830 N/A HIS 160.A N VAL 156.A O no hydrogen 3.191 N/A TYR 161.A N ASN 157.A O no hydrogen 2.658 N/A LEU 162.A N GLY 158.A O no hydrogen 2.809 N/A GLY 163.A N CYS 159.A O no hydrogen 2.992 N/A GLY 163.A N HIS 160.A O no hydrogen 3.216 N/A ASP 165.A N SER 30.A O no hydrogen 3.005 N/A VAL 166.A N SER 30.A O no hydrogen 3.198 N/A ALA 167.A N VAL 189.A O no hydrogen 2.689 N/A VAL 168.A N GLY 32.A O no hydrogen 3.019 N/A GLY 169.A N ILE 191.A O no hydrogen 3.013 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.771 N/A GLN 173.A N GLY 170.A O no hydrogen 2.996 N/A GLN 173.A NE2 GLU 172.A OE1 no hydrogen 2.919 N/A ARG 174.A N MET 171.A O no hydrogen 3.094 N/A ARG 174.A NE GLU 13.A OE1 no hydrogen 2.789 N/A ARG 174.A NH2 GLU 13.A OE1 no hydrogen 3.137 N/A ARG 174.A NH2 GLU 13.A OE2 no hydrogen 3.239 N/A HIS 177.A N GLN 173.A O no hydrogen 2.895 N/A HIS 177.A ND1 HIS 192.A NE2 no hydrogen 2.807 N/A MET 178.A N.A ARG 174.A O no hydrogen 2.706 N/A MET 178.A N.B ARG 174.A O no hydrogen 2.730 N/A LEU 179.A N LYS 175.A O no hydrogen 3.036 N/A ALA 180.A N ILE 176.A O no hydrogen 3.031 N/A ARG 181.A N HIS 177.A O no hydrogen 2.947 N/A ARG 181.A NH1 GLU 19.A OE1 no hydrogen 2.890 N/A ARG 181.A NH1 VAL 188.A O.A no hydrogen 3.041 N/A ARG 181.A NH1 VAL 188.A O.B no hydrogen 3.013 N/A ARG 181.A NH2 GLU 19.A OE1 no hydrogen 3.449 N/A ARG 181.A NH2 GLU 19.A OE2 no hydrogen 2.601 N/A GLU 182.A N MET 178.A O.A no hydrogen 3.085 N/A GLU 182.A N MET 178.A O.B no hydrogen 3.349 N/A GLU 182.A N LEU 179.A O no hydrogen 3.105 N/A LEU 183.A N LEU 179.A O no hydrogen 2.939 N/A LEU 184.A N ALA 180.A O no hydrogen 3.046 N/A LYS 186.A NZ GLY 163.A O no hydrogen 3.173 N/A LYS 186.A NZ VAL 164.A O no hydrogen 3.456 N/A LYS 186.A NZ ASP 165.A OD1 no hydrogen 2.892 N/A LYS 187.A NZ GLU 19.A OE2 no hydrogen 3.536 N/A VAL 189.A N ASP 165.A O no hydrogen 2.916 N/A CYS 190.A N ILE 15.A O no hydrogen 2.809 N/A CYS 190.A SG VAL 188.A O.A no hydrogen 3.539 N/A CYS 190.A SG VAL 188.A O.B no hydrogen 3.578 N/A ILE 191.A N ALA 167.A O no hydrogen 2.815 N/A HIS 192.A N GLU 13.A O no hydrogen 2.904 N/A HIS 192.A ND1 GLU 13.A OE1 no hydrogen 2.566 N/A HIS 192.A NE2 HIS 177.A ND1 no hydrogen 2.807 N/A ASN 193.A N GLY 169.A O no hydrogen 2.819 N/A ASN 193.A ND2 GLN 48.A OE1.A no hydrogen 2.261 N/A ASN 193.A ND2 GLN 48.A OE1.C no hydrogen 2.892 N/A THR 197.A N GLU 243.A OE1 no hydrogen 2.682 N/A THR 197.A OG1 GLU 243.A OE1 no hydrogen 3.415 N/A THR 197.A OG1 GLU 243.A OE2 no hydrogen 2.641 N/A GLY 198.A N GLY 203.A O no hydrogen 2.639 N/A LEU 199.A N ASN 211.A O no hydrogen 2.932 N/A GLY 201.A N GLY 198.A O no hydrogen 2.898 N/A GLU 202.A N ASP 200.A OD1 no hydrogen 3.137 N/A LYS 204.A NZ VAL 195.A O no hydrogen 3.404 N/A MET 205.A N LEU 196.A O no hydrogen 2.850 N/A SER 206.A N ASN 211.A OD1 no hydrogen 2.996 N/A SER 206.A OG SER 208.A OG no hydrogen 2.982 N/A SER 207.A OG SER 38.A OG no hydrogen 3.316 N/A SER 207.A OG HIS 42.A NE2 no hydrogen 3.078 N/A SER 208.A N SER 206.A OG no hydrogen 3.263 N/A SER 208.A OG SER 206.A OG no hydrogen 2.982 N/A ASN 211.A ND2 LYS 204.A O no hydrogen 3.353 N/A ALA 214.A N ASP 217.A OD2 no hydrogen 3.024 N/A VAL 215.A N ILE 41.A O no hydrogen 2.871 N/A ASP 217.A N ALA 214.A O no hydrogen 2.927 N/A GLU 221.A N SER 218.A OG no hydrogen 3.280 N/A ILE 222.A N SER 218.A O no hydrogen 2.823 N/A ARG 223.A N PRO 219.A O no hydrogen 2.829 N/A ARG 223.A NE GLU 293.A OE1 no hydrogen 2.892 N/A ARG 223.A NH2 GLU 293.A OE2 no hydrogen 3.416 N/A ALA 224.A N GLU 220.A O no hydrogen 2.862 N/A LYS 225.A N GLU 221.A O no hydrogen 2.881 N/A LYS 225.A NZ PHE 212.A O no hydrogen 2.847 N/A LYS 225.A NZ ASP 217.A OD2 no hydrogen 2.742 N/A ILE 226.A N ILE 222.A O no hydrogen 2.939 N/A LYS 227.A N ARG 223.A O no hydrogen 2.832 N/A LYS 228.A N ALA 224.A O no hydrogen 3.228 N/A ALA 229.A N ILE 226.A O no hydrogen 2.986 N/A TYR 230.A N LEU 199.A O no hydrogen 2.892 N/A CYS 231.A SG ASN 239.A OD1 no hydrogen 3.760 N/A VAL 235.A N PRO 232.A O no hydrogen 2.989 N/A ASN 239.A N VAL 236.A O no hydrogen 3.138 N/A ASN 239.A ND2 VAL 235.A O no hydrogen 2.780 N/A ILE 241.A N ASN 239.A OD1 no hydrogen 2.954 N/A MET 242.A N ASN 239.A OD1 no hydrogen 3.344 N/A GLU 243.A N ASN 239.A O no hydrogen 3.083 N/A ILE 244.A N PRO 240.A O no hydrogen 3.119 N/A ALA 245.A N ILE 241.A O no hydrogen 3.009 N/A LYS 246.A N MET 242.A O no hydrogen 2.767 N/A LYS 246.A NZ TYR 247.A OH no hydrogen 3.371 N/A TYR 247.A N GLU 243.A O no hydrogen 2.812 N/A PHE 248.A N ILE 244.A O no hydrogen 2.986 N/A TYR 251.A OH ALA 245.A O no hydrogen 2.736 N/A LEU 253.A N VAL 267.A O no hydrogen 2.677 N/A ILE 255.A N LEU 265.A O no hydrogen 2.408 N/A LYS 256.A NZ ASP 264.A OD2 no hydrogen 2.401 N/A ARG 257.A N ASP 264.A OD1 no hydrogen 3.249 N/A ARG 257.A NE GLY 263.A O no hydrogen 2.733 N/A ARG 257.A NH1 GLU 281.A O no hydrogen 3.420 N/A PHE 261.A N PRO 258.A O no hydrogen 3.005 N/A GLY 262.A N GLU 259.A O no hydrogen 3.049 N/A GLY 263.A N PRO 258.A O no hydrogen 2.841 N/A LEU 265.A N ILE 255.A O no hydrogen 2.681 N/A VAL 267.A N LEU 253.A O no hydrogen 2.748 N/A ASN 268.A N GLU 272.A OE1 no hydrogen 2.900 N/A SER 269.A OG GLU 271.A OE1 no hydrogen 3.557 N/A TYR 270.A OH GLU 274.A OE1 no hydrogen 2.983 N/A GLU 272.A N SER 269.A OG no hydrogen 3.030 N/A LEU 273.A N SER 269.A O no hydrogen 3.150 N/A GLU 274.A N TYR 270.A O no hydrogen 2.819 N/A SER 275.A N GLU 271.A O no hydrogen 3.059 N/A LEU 276.A N GLU 272.A O no hydrogen 2.793 N/A PHE 277.A N LEU 273.A O no hydrogen 2.747 N/A LYS 278.A N GLU 274.A O no hydrogen 2.867 N/A ASN 279.A N SER 275.A O no hydrogen 3.234 N/A LYS 280.A N PHE 277.A O no hydrogen 3.017 N/A GLU 281.A N LEU 276.A O no hydrogen 2.796 N/A LEU 282.A N LEU 276.A O no hydrogen 3.208 N/A MET 285.A N HIS 283.A ND1 no hydrogen 2.736 N/A LEU 287.A N HIS 283.A O no hydrogen 3.038 N/A LYS 288.A N PRO 284.A O no hydrogen 2.844 N/A LYS 288.A NZ LYS 227.A O no hydrogen 2.949 N/A LYS 288.A NZ ALA 229.A O no hydrogen 2.895 N/A ASN 289.A N MET 285.A O no hydrogen 3.061 N/A ALA 290.A N ASP 286.A O no hydrogen 3.122 N/A VAL 291.A N LEU 287.A O no hydrogen 2.879 N/A ALA 292.A N LYS 288.A O no hydrogen 2.901 N/A GLU 293.A N ASN 289.A O no hydrogen 3.134 N/A GLU 294.A N ALA 290.A O no hydrogen 3.044 N/A LEU 295.A N VAL 291.A O no hydrogen 2.882 N/A ILE 296.A N ALA 292.A O no hydrogen 2.875 N/A LYS 297.A N GLU 293.A O no hydrogen 3.167 N/A ILE 298.A N GLU 294.A O no hydrogen 2.855 N/A LEU 299.A N LEU 295.A O no hydrogen 2.818 N/A GLU 300.A N ILE 296.A O no hydrogen 2.895 N/A ARG 303.A N LEU 299.A O no hydrogen 3.051 N/A ARG 303.A NH2 ASP 216.A O no hydrogen 2.592 N/A LYS 304.A N GLU 300.A O no hydrogen 2.828 N/A ARG 305.A N PRO 301.A O no hydrogen 2.934 N/A LEU 306.A N ILE 302.A O no hydrogen 3.023 N/A LEU 307.A N ARG 303.A O no hydrogen 2.885 N/A GLU 308.A N LYS 304.A O no hydrogen 2.840 N/A HIS 310.A N LEU 307.A O no hydrogen 3.321 N/A