Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5b1j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASP 1.A OD2 no hydrogen 3.296 N/A LEU 5.A N ALA 2.A O no hydrogen 3.271 N/A HIS 7.A ND1 LEU 5.A O no hydrogen 3.033 N/A THR 8.A N VAL 31.A O no hydrogen 2.929 N/A VAL 10.A N GLU 33.A O no hydrogen 3.123 N/A GLN 17.A N ALA 14.A O no hydrogen 3.017 N/A HIS 19.A ND1 PRO 20.A O no hydrogen 2.800 N/A HIS 21.A ND1 HIS 19.A O no hydrogen 2.841 N/A HIS 21.A NE2 TYR 165.A OH no hydrogen 2.892 N/A GLN 23.A NE2 TYR 165.A O no hydrogen 2.650 N/A THR 25.A N ARG 152.A O no hydrogen 3.122 N/A THR 25.A OG1 GLU 22.A OE1 no hydrogen 2.423 N/A LYS 30.A N ASP 72.A OD1 no hydrogen 2.896 N/A VAL 31.A N PRO 6.A O no hydrogen 2.977 N/A VAL 32.A N TYR 73.A O no hydrogen 2.985 N/A GLU 33.A N THR 8.A O no hydrogen 2.807 N/A PHE 34.A N GLN 75.A O no hydrogen 2.761 N/A MET 36.A N THR 77.A O no hydrogen 3.130 N/A THR 37.A N ASN 58.A OD1 no hydrogen 2.817 N/A ILE 38.A N VAL 79.A O no hydrogen 2.933 N/A GLU 39.A N THR 56.A O no hydrogen 2.776 N/A GLU 40.A N ASN 84.A OD1 no hydrogen 2.943 N/A LYS 41.A N ALA 54.A O no hydrogen 3.181 N/A LYS 41.A NZ GLU 39.A OE1 no hydrogen 3.326 N/A LYS 41.A NZ GLY 59.A O no hydrogen 3.149 N/A LYS 42.A NZ ASP 188.A OD1 no hydrogen 3.451 N/A LYS 42.A NZ ASP 188.A OD2 no hydrogen 3.141 N/A LYS 42.A NZ TYR 189.A O no hydrogen 2.887 N/A MET 43.A N LEU 52.A O no hydrogen 2.882 N/A ILE 45.A N THR 50.A O no hydrogen 2.892 N/A LYS 48.A N ASP 46.A OD1 no hydrogen 3.031 N/A THR 50.A N ASP 46.A OD1 no hydrogen 2.901 N/A THR 50.A OG1 ASP 46.A OD1 no hydrogen 3.170 N/A THR 50.A OG1 ASP 46.A OD2 no hydrogen 2.912 N/A THR 51.A OG1 ASP 188.A OD1 no hydrogen 2.849 N/A LEU 52.A N MET 43.A O no hydrogen 2.848 N/A GLN 53.A NE2 TYR 189.A O no hydrogen 2.988 N/A ALA 54.A N LYS 41.A O no hydrogen 2.916 N/A MET 55.A N SER 141.A O no hydrogen 3.065 N/A THR 56.A N GLU 39.A O no hydrogen 2.963 N/A THR 56.A OG1 GLU 39.A O no hydrogen 2.859 N/A ASN 58.A N THR 37.A O no hydrogen 2.932 N/A SER 60.A N PHE 57.A O no hydrogen 3.467 N/A SER 60.A OG PRO 62.A O no hydrogen 2.889 N/A GLY 63.A N SER 144.A O no hydrogen 2.965 N/A THR 65.A OG1 THR 170.A OG1 no hydrogen 2.926 N/A LEU 66.A N THR 146.A O no hydrogen 3.023 N/A VAL 67.A N HIS 19.A NE2 no hydrogen 3.232 N/A VAL 68.A N MET 148.A O no hydrogen 3.000 N/A HIS 69.A N ASP 72.A OD2 no hydrogen 2.908 N/A HIS 69.A NE2 GLN 23.A O no hydrogen 2.528 N/A GLU 70.A N LEU 150.A O no hydrogen 2.803 N/A GLY 71.A N ALA 119.A O no hydrogen 3.132 N/A ASP 72.A N HIS 69.A O no hydrogen 2.902 N/A TYR 73.A N LYS 30.A O no hydrogen 2.925 N/A VAL 74.A N PHE 117.A O no hydrogen 2.603 N/A GLN 75.A N VAL 32.A O no hydrogen 3.000 N/A LEU 76.A N LEU 115.A O no hydrogen 3.079 N/A THR 77.A N PHE 34.A O no hydrogen 2.941 N/A THR 77.A OG1 THR 114.A OG1 no hydrogen 3.115 N/A LEU 78.A N ALA 113.A O no hydrogen 2.737 N/A VAL 79.A N MET 36.A O no hydrogen 2.938 N/A ASN 80.A N GLU 111.A O no hydrogen 2.903 N/A ASN 80.A ND2 MET 86.A O no hydrogen 2.913 N/A ASN 80.A ND2 VAL 107.A O no hydrogen 2.913 N/A ASN 84.A N PRO 81.A O no hydrogen 2.895 N/A ASN 84.A ND2 ILE 38.A O no hydrogen 3.024 N/A ASN 84.A ND2 ASN 80.A OD1 no hydrogen 3.096 N/A ASN 84.A ND2 PRO 81.A O no hydrogen 3.554 N/A ALA 85.A N GLU 40.A OE1 no hydrogen 2.880 N/A HIS 88.A N VAL 107.A O no hydrogen 2.990 N/A HIS 88.A NE2 GLU 40.A OE2 no hydrogen 2.775 N/A ASN 89.A ND2 ALA 102.A O no hydrogen 3.287 N/A ASN 89.A ND2 ALA 130.A O no hydrogen 2.845 N/A VAL 90.A N THR 105.A OG1 no hydrogen 2.987 N/A ASP 91.A N HIS 128.A O no hydrogen 2.757 N/A PHE 92.A N GLY 100.A O no hydrogen 2.649 N/A HIS 93.A N VAL 126.A O no hydrogen 2.966 N/A ALA 95.A N PHE 92.A O no hydrogen 2.936 N/A GLY 100.A N GLY 97.A O no hydrogen 3.012 N/A GLY 101.A N ALA 98.A O no hydrogen 2.874 N/A ALA 102.A N LEU 99.A O no hydrogen 3.320 N/A LEU 104.A N GLY 101.A O no hydrogen 3.141 N/A THR 105.A N ALA 102.A O no hydrogen 3.128 N/A THR 105.A OG1 VAL 90.A O no hydrogen 3.446 N/A THR 105.A OG1 GLY 101.A O no hydrogen 2.821 N/A THR 105.A OG1 ALA 102.A O no hydrogen 3.122 N/A VAL 107.A N HIS 88.A O no hydrogen 2.878 N/A ASN 108.A N GLU 111.A OE1 no hydrogen 2.761 N/A ASN 108.A ND2 GLU 111.A OE1 no hydrogen 2.876 N/A GLY 110.A N ASN 80.A O no hydrogen 2.735 N/A GLU 111.A N ASN 108.A O no hydrogen 2.708 N/A ALA 113.A N LEU 78.A O no hydrogen 3.008 N/A THR 114.A OG1 THR 77.A OG1 no hydrogen 3.115 N/A LEU 115.A N LEU 76.A O no hydrogen 2.945 N/A PHE 117.A N VAL 74.A O no hydrogen 2.976 N/A LYS 118.A NZ TYR 73.A OH no hydrogen 3.098 N/A ALA 119.A N ASP 72.A O no hydrogen 2.931 N/A GLY 123.A N VAL 149.A O no hydrogen 2.844 N/A THR 124.A N GLY 261.A O no hydrogen 2.712 N/A THR 124.A OG1 GLY 261.A O no hydrogen 3.388 N/A THR 124.A OG1 ALA 281.A O no hydrogen 2.991 N/A PHE 125.A N LEU 147.A O no hydrogen 2.650 N/A TYR 127.A N GLY 145.A O no hydrogen 3.018 N/A TYR 127.A OH PRO 64.A O no hydrogen 2.650 N/A HIS 128.A N ASP 91.A O no hydrogen 2.905 N/A HIS 128.A ND1 CYS 129.A O no hydrogen 2.812 N/A CYS 129.A N MET 143.A O no hydrogen 3.088 N/A CYS 129.A SG HIS 88.A ND1 no hydrogen 3.791 N/A CYS 129.A SG ASN 89.A O no hydrogen 3.569 N/A CYS 129.A SG ASN 89.A OD1 no hydrogen 3.555 N/A CYS 129.A SG HIS 138.A ND1 no hydrogen 3.874 N/A ALA 130.A N ASN 89.A OD1 no hydrogen 2.675 N/A MET 134.A N PRO 131.A O no hydrogen 2.821 N/A HIS 138.A N MET 134.A O no hydrogen 3.262 N/A VAL 139.A N VAL 135.A O no hydrogen 3.209 N/A VAL 140.A N PRO 136.A O no hydrogen 3.081 N/A SER 141.A N TRP 137.A O no hydrogen 3.169 N/A SER 141.A N HIS 138.A O no hydrogen 3.211 N/A SER 141.A OG TRP 137.A O no hydrogen 2.562 N/A GLY 142.A N VAL 139.A O no hydrogen 3.364 N/A MET 143.A N HIS 138.A O no hydrogen 3.349 N/A SER 144.A N GLY 142.A O no hydrogen 3.150 N/A GLY 145.A N TYR 127.A O no hydrogen 2.992 N/A LEU 147.A N PHE 125.A O no hydrogen 2.525 N/A MET 148.A N LEU 66.A O no hydrogen 2.696 N/A VAL 149.A N GLY 123.A O no hydrogen 2.794 N/A LEU 150.A N VAL 68.A O no hydrogen 2.986 N/A ARG 152.A NE GLU 70.A O no hydrogen 2.710 N/A GLY 154.A N PRO 151.A O no hydrogen 3.186 N/A ASP 157.A N LYS 161.A O no hydrogen 2.783 N/A GLY 160.A N ASP 157.A O no hydrogen 3.225 N/A LYS 161.A N ASP 157.A OD1 no hydrogen 3.248 N/A LEU 163.A N LEU 155.A O no hydrogen 3.015 N/A TYR 165.A N GLN 23.A OE1 no hydrogen 3.260 N/A TYR 165.A OH HIS 21.A NE2 no hydrogen 2.892 N/A ASP 166.A N THR 233.A O no hydrogen 2.663 N/A ARG 167.A N THR 233.A O no hydrogen 3.335 N/A TYR 169.A N LEU 235.A O no hydrogen 2.940 N/A TYR 169.A OH THR 227.A O no hydrogen 2.573 N/A THR 170.A N PRO 16.A O no hydrogen 3.024 N/A THR 170.A OG1 THR 65.A OG1 no hydrogen 2.926 N/A ILE 171.A N ILE 237.A O no hydrogen 2.706 N/A GLY 172.A N ASN 214.A OD1 no hydrogen 2.780 N/A GLU 173.A N SER 239.A O no hydrogen 2.866 N/A PHE 174.A N VAL 212.A O no hydrogen 2.820 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.635 N/A LEU 176.A N HIS 210.A O no hydrogen 2.998 N/A TYR 177.A OH ASP 175.A OD2 no hydrogen 2.486 N/A ILE 178.A N SER 209.A OG no hydrogen 2.986 N/A GLY 181.A N LYS 185.A O no hydrogen 2.964 N/A GLY 184.A N GLY 181.A O no hydrogen 3.480 N/A LYS 185.A N ASP 183.A OD1 no hydrogen 3.031 N/A LYS 187.A N PRO 179.A O no hydrogen 3.000 N/A LYS 187.A NZ ASP 198.A OD2 no hydrogen 2.738 N/A TYR 189.A OH ASP 198.A OD2 no hydrogen 2.354 N/A GLU 194.A N THR 191.A OG1 no hydrogen 2.852 N/A SER 195.A N LEU 192.A O no hydrogen 2.987 N/A SER 195.A OG LEU 192.A O no hydrogen 2.492 N/A TYR 196.A N ALA 193.A O no hydrogen 3.139 N/A THR 199.A N SER 195.A O no hydrogen 3.158 N/A THR 199.A OG1 SER 195.A O no hydrogen 3.176 N/A VAL 200.A N TYR 196.A O no hydrogen 2.985 N/A GLN 201.A N GLY 197.A O no hydrogen 3.105 N/A VAL 202.A N ASP 198.A O no hydrogen 3.288 N/A MET 203.A N THR 199.A O no hydrogen 2.928 N/A ARG 204.A N VAL 200.A O no hydrogen 3.281 N/A THR 205.A N VAL 202.A O no hydrogen 2.868 N/A THR 205.A OG1 VAL 202.A O no hydrogen 2.375 N/A LEU 206.A N MET 203.A O no hydrogen 3.040 N/A THR 207.A OG1 THR 205.A O no hydrogen 3.097 N/A SER 209.A N LEU 176.A O no hydrogen 2.939 N/A SER 209.A OG LEU 176.A O no hydrogen 3.262 N/A SER 209.A OG HIS 210.A ND1 no hydrogen 2.679 N/A HIS 210.A N LEU 176.A O no hydrogen 3.479 N/A HIS 210.A ND1 SER 209.A OG no hydrogen 2.679 N/A HIS 210.A NE2 ASP 46.A OD2 no hydrogen 2.992 N/A ILE 211.A N LEU 307.A O no hydrogen 2.951 N/A VAL 212.A N PHE 174.A O no hydrogen 2.978 N/A ASN 214.A N GLY 172.A O no hydrogen 2.946 N/A ASN 214.A ND2 THR 170.A O no hydrogen 3.339 N/A LYS 216.A NZ VAL 44.A O no hydrogen 3.355 N/A VAL 217.A N ILE 45.A O no hydrogen 2.944 N/A ALA 219.A N LYS 216.A O no hydrogen 2.891 N/A THR 221.A N GLY 218.A O no hydrogen 2.991 N/A THR 221.A OG1 GLY 218.A O no hydrogen 2.822 N/A ASN 224.A N THR 221.A O no hydrogen 2.674 N/A ASN 224.A ND2 ALA 219.A O no hydrogen 3.546 N/A ALA 225.A N GLY 222.A O no hydrogen 3.031 N/A LEU 226.A N HIS 312.A O no hydrogen 3.100 N/A THR 227.A N TYR 169.A OH no hydrogen 3.282 N/A ALA 228.A N LYS 314.A O no hydrogen 3.018 N/A VAL 230.A N GLU 316.A O no hydrogen 2.748 N/A GLY 231.A N PHE 288.A O no hydrogen 2.798 N/A GLU 232.A N LYS 229.A O no hydrogen 2.765 N/A THR 233.A N ASP 166.A OD2 no hydrogen 2.874 N/A THR 233.A OG1 THR 287.A OG1 no hydrogen 2.700 N/A VAL 234.A N TYR 286.A O no hydrogen 3.021 N/A LEU 235.A N ARG 167.A O no hydrogen 2.643 N/A LEU 236.A N ALA 284.A O no hydrogen 2.823 N/A ILE 237.A N TYR 169.A O no hydrogen 3.145 N/A HIS 238.A N GLY 282.A O no hydrogen 3.040 N/A HIS 238.A ND1 TYR 296.A OH no hydrogen 2.763 N/A HIS 238.A NE2 GLU 173.A OE1 no hydrogen 2.894 N/A SER 239.A N ILE 171.A O no hydrogen 2.904 N/A GLN 240.A N SER 280.A O no hydrogen 3.227 N/A GLN 240.A NE2 ASP 175.A OD1 no hydrogen 2.854 N/A ASN 242.A N GLN 240.A OE1 no hydrogen 2.891 N/A ASN 242.A ND2 ASP 175.A OD2 no hydrogen 2.673 N/A ARG 243.A N GLN 240.A OE1 no hydrogen 2.944 N/A ARG 243.A NH1 GLU 303.A OE1 no hydrogen 3.378 N/A ARG 243.A NH1 GLU 303.A OE2 no hydrogen 2.983 N/A ARG 243.A NH2 GLU 303.A OE2 no hydrogen 3.062 N/A THR 245.A N ILE 276.A O no hydrogen 3.073 N/A THR 245.A OG1 GLU 173.A OE1 no hydrogen 2.494 N/A THR 245.A OG1 GLU 173.A OE2 no hydrogen 3.042 N/A ARG 246.A NH1 ASN 298.A OD1 no hydrogen 2.934 N/A ARG 246.A NH1 GLU 303.A OE1 no hydrogen 3.415 N/A HIS 248.A ND1 GLU 272.A O no hydrogen 2.530 N/A ILE 250.A N ALA 295.A O no hydrogen 2.702 N/A GLY 252.A N LEU 249.A O no hydrogen 2.973 N/A GLY 254.A N LEU 271.A O no hydrogen 2.999 N/A ASP 255.A N LEU 285.A O no hydrogen 2.887 N/A TRP 256.A N LEU 285.A O no hydrogen 3.431 N/A VAL 257.A N GLN 268.A O no hydrogen 2.711 N/A TRP 258.A N ALA 283.A O no hydrogen 2.725 N/A LYS 262.A NZ THR 124.A O no hydrogen 2.851 N/A LYS 262.A NZ THR 260.A O no hydrogen 2.854 N/A PHE 263.A N SER 122.A O no hydrogen 3.101 N/A ASN 265.A N LYS 262.A O no hydrogen 3.122 N/A GLN 268.A N VAL 257.A O no hydrogen 3.006 N/A ARG 269.A NE ASP 270.A OD2 no hydrogen 2.816 N/A ASP 270.A N ASP 255.A O no hydrogen 3.312 N/A LEU 271.A N GLY 254.A O no hydrogen 2.982 N/A THR 273.A OG1 HIS 248.A ND1 no hydrogen 3.391 N/A TRP 274.A N PRO 247.A O no hydrogen 3.040 N/A ILE 276.A N THR 245.A O no hydrogen 2.824 N/A ARG 277.A NH1 PHE 275.A O no hydrogen 2.969 N/A ARG 277.A NH2 GLU 259.A OE2 no hydrogen 2.744 N/A GLY 278.A N ASP 244.A OD1 no hydrogen 2.864 N/A GLY 279.A N GLN 240.A O no hydrogen 2.786 N/A SER 280.A N GLN 240.A O no hydrogen 3.324 N/A SER 280.A OG ARG 277.A O no hydrogen 3.081 N/A GLY 282.A N HIS 238.A O no hydrogen 3.089 N/A ALA 283.A N TRP 258.A O no hydrogen 3.181 N/A ALA 284.A N LEU 236.A O no hydrogen 3.022 N/A LEU 285.A N TRP 256.A O no hydrogen 2.793 N/A TYR 286.A N VAL 234.A O no hydrogen 3.102 N/A THR 287.A N ASP 255.A OD2 no hydrogen 2.855 N/A THR 287.A OG1 THR 233.A OG1 no hydrogen 2.700 N/A PHE 288.A N GLU 232.A O no hydrogen 3.202 N/A GLN 290.A NE2 ASN 320.A O no hydrogen 3.134 N/A GLY 292.A N VAL 315.A O no hydrogen 2.900 N/A TYR 294.A N ILE 313.A O no hydrogen 2.615 N/A TYR 294.A OH GLN 290.A O no hydrogen 2.526 N/A TYR 296.A N GLY 311.A O no hydrogen 3.009 N/A TYR 296.A OH HIS 238.A ND1 no hydrogen 2.763 N/A LEU 297.A N HIS 248.A O no hydrogen 2.752 N/A ASN 298.A N ALA 309.A O no hydrogen 3.339 N/A ASN 298.A ND2 GLU 173.A OE2 no hydrogen 2.860 N/A ASN 298.A ND2 GLU 303.A OE1 no hydrogen 2.684 N/A HIS 299.A N ARG 246.A O no hydrogen 2.909 N/A HIS 299.A ND1 HIS 299.A O no hydrogen 2.618 N/A ASN 300.A N ASN 298.A OD1 no hydrogen 2.807 N/A ILE 302.A N ASN 300.A OD1 no hydrogen 2.890 N/A GLU 303.A N ASN 300.A OD1 no hydrogen 3.152 N/A ALA 304.A N ASN 300.A O no hydrogen 3.041 N/A PHE 305.A N LEU 301.A O no hydrogen 2.870 N/A GLU 306.A N ILE 302.A O no hydrogen 2.946 N/A LEU 307.A N ILE 302.A O no hydrogen 3.217 N/A GLY 308.A N ALA 304.A O no hydrogen 3.044 N/A ALA 309.A N GLU 303.A O no hydrogen 3.126 N/A ALA 310.A N GLY 308.A O no hydrogen 2.916 N/A GLY 311.A N TYR 296.A O no hydrogen 2.769 N/A HIS 312.A N LEU 220.A O no hydrogen 3.006 N/A ILE 313.A N TYR 294.A O no hydrogen 2.703 N/A LYS 314.A N LEU 226.A O no hydrogen 2.899 N/A LYS 314.A NZ GLU 316.A OE2 no hydrogen 2.816 N/A VAL 315.A N GLY 292.A O no hydrogen 3.014 N/A GLU 316.A N ALA 228.A O no hydrogen 3.269 N/A TRP 319.A NE1 MET 324.A O no hydrogen 2.879 N/A ASN 320.A N GLN 290.A OE1 no hydrogen 3.005 N/A ASP 322.A N ASN 320.A OD1 no hydrogen 2.818 N/A MET 324.A N ASN 320.A O no hydrogen 3.280 N/A