Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5bnj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N ASP 4.A OD2 no hydrogen 2.996 N/A LYS 8.A N ASP 4.A O no hydrogen 3.024 N/A VAL 9.A N TYR 5.A O no hydrogen 2.918 N/A LYS 10.A N ASP 6.A O no hydrogen 2.945 N/A LEU 11.A N PHE 7.A O no hydrogen 3.214 N/A SER 12.A N LYS 8.A O no hydrogen 3.100 N/A SER 13.A N VAL 9.A O no hydrogen 3.101 N/A GLU 14.A N LYS 10.A O no hydrogen 3.143 N/A ARG 15.A N LEU 11.A O no hydrogen 2.808 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.807 N/A ASP 20.A N ARG 17.A O no hydrogen 3.233 N/A LEU 21.A N ARG 17.A O no hydrogen 3.218 N/A PHE 22.A N VAL 18.A O no hydrogen 3.014 N/A GLU 23.A N LYS 41.A O no hydrogen 2.728 N/A CYS 27.A N TYR 24.A O no hydrogen 3.055 N/A CYS 27.A SG GLU 25.A O no hydrogen 3.732 N/A LYS 28.A NZ HIS 36.A ND1 no hydrogen 3.353 N/A VAL 29.A N VAL 37.A O no hydrogen 2.982 N/A GLY 30.A N VAL 37.A O no hydrogen 3.220 N/A ARG 31.A NH1 GLY 35.A O no hydrogen 3.452 N/A GLY 32.A N GLY 35.A O no hydrogen 3.026 N/A HIS 36.A N GLN 55.A O no hydrogen 3.112 N/A VAL 37.A N GLY 30.A O no hydrogen 2.904 N/A TYR 38.A N LEU 53.A O no hydrogen 2.734 N/A LYS 39.A N CYS 27.A O no hydrogen 2.936 N/A ALA 40.A N TYR 51.A O no hydrogen 2.725 N/A LYS 41.A N GLU 23.A O no hydrogen 3.168 N/A ARG 42.A NH1 ASP 47.A OD1 no hydrogen 3.501 N/A LYS 43.A N LEU 21.A O no hydrogen 3.160 N/A LYS 43.A NZ GLU 19.A O no hydrogen 2.717 N/A LYS 49.A NZ ASP 47.A OD2 no hydrogen 3.424 N/A LYS 49.A NZ TYR 51.A OH no hydrogen 2.714 N/A TYR 51.A N ALA 40.A O no hydrogen 2.843 N/A TYR 51.A OH ASP 47.A OD2 no hydrogen 2.750 N/A ALA 52.A N PHE 99.A O no hydrogen 2.892 N/A LEU 53.A N TYR 38.A O no hydrogen 2.861 N/A LYS 54.A N LEU 97.A O no hydrogen 2.827 N/A LYS 54.A NZ GLU 68.A OE1 no hydrogen 3.333 N/A LYS 54.A NZ GLU 68.A OE2 no hydrogen 2.728 N/A GLN 55.A N HIS 36.A O no hydrogen 2.931 N/A ILE 56.A N VAL 95.A O no hydrogen 2.999 N/A GLU 57.A N TYR 34.A O no hydrogen 3.105 N/A THR 59.A OG1 ASP 92.A O no hydrogen 3.353 N/A GLY 60.A N ARG 93.A O no hydrogen 2.813 N/A ALA 65.A N SER 62.A OG no hydrogen 3.159 N/A CYS 66.A N SER 62.A O no hydrogen 2.767 N/A ARG 67.A N MET 63.A O no hydrogen 2.995 N/A GLU 68.A N SER 64.A O no hydrogen 3.205 N/A ILE 69.A N ALA 65.A O no hydrogen 3.090 N/A ALA 70.A N CYS 66.A O no hydrogen 2.994 N/A LEU 71.A N ARG 67.A O no hydrogen 2.929 N/A LEU 72.A N GLU 68.A O no hydrogen 3.081 N/A ARG 73.A N ILE 69.A O no hydrogen 3.144 N/A ARG 73.A NH1 ARG 73.A O no hydrogen 3.439 N/A GLU 74.A N LEU 71.A O no hydrogen 2.922 N/A LEU 75.A N LEU 71.A O no hydrogen 2.932 N/A LYS 76.A N TYR 139.A OH no hydrogen 2.924 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 3.248 N/A ASN 79.A ND2 GLN 132.A OE1 no hydrogen 3.169 N/A ASN 79.A ND2 VAL 167.A O no hydrogen 3.013 N/A VAL 80.A N HIS 77.A O no hydrogen 3.006 N/A ILE 81.A N ILE 169.A O no hydrogen 3.167 N/A GLN 84.A N LEU 98.A O no hydrogen 2.727 N/A LYS 85.A N LEU 98.A O no hydrogen 3.492 N/A PHE 87.A N TRP 96.A O no hydrogen 2.967 N/A SER 89.A N LYS 94.A O no hydrogen 2.954 N/A SER 89.A OG ASP 92.A OD1 no hydrogen 2.690 N/A LYS 94.A N ASP 92.A OD1 no hydrogen 3.503 N/A TRP 96.A N PHE 87.A O no hydrogen 2.792 N/A LEU 97.A N LYS 54.A O no hydrogen 2.750 N/A LEU 98.A N LYS 85.A O no hydrogen 2.932 N/A PHE 99.A N ALA 52.A O no hydrogen 2.748 N/A TYR 101.A OH GLU 103.A OE2 no hydrogen 2.965 N/A HIS 104.A N VAL 157.A O no hydrogen 3.139 N/A LEU 106.A N ILE 155.A O no hydrogen 2.974 N/A TRP 107.A N PRO 152.A O no hydrogen 3.269 N/A HIS 108.A N ASP 105.A OD2 no hydrogen 2.765 N/A HIS 108.A ND1 ASP 105.A OD1 no hydrogen 3.000 N/A ILE 109.A N ASP 105.A O no hydrogen 2.975 N/A ILE 110.A N LEU 106.A O no hydrogen 2.893 N/A LYS 111.A N TRP 107.A O no hydrogen 3.081 N/A PHE 112.A N HIS 108.A O no hydrogen 2.842 N/A HIS 113.A N ILE 109.A O no hydrogen 3.259 N/A HIS 113.A NE2 TYR 334.A OH no hydrogen 2.561 N/A ARG 114.A N ILE 110.A O no hydrogen 2.999 N/A ALA 115.A N LYS 111.A O no hydrogen 2.757 N/A SER 116.A N PHE 112.A O no hydrogen 2.728 N/A LYS 117.A N HIS 113.A O no hydrogen 2.957 N/A ASN 119.A N ALA 115.A O no hydrogen 3.043 N/A MET 125.A N PRO 122.A O no hydrogen 3.171 N/A LYS 127.A NZ TYR 315.A O no hydrogen 2.740 N/A LYS 127.A NZ PRO 320.A O no hydrogen 2.721 N/A SER 128.A N GLY 124.A O no hydrogen 3.027 N/A SER 128.A OG GLY 124.A O no hydrogen 2.659 N/A SER 128.A OG THR 323.A OG1 no hydrogen 3.349 N/A LEU 129.A N MET 125.A O no hydrogen 2.760 N/A LEU 130.A N VAL 126.A O no hydrogen 2.800 N/A TYR 131.A N LYS 127.A O no hydrogen 2.858 N/A GLN 132.A N SER 128.A O no hydrogen 3.137 N/A GLN 132.A NE2 THR 323.A O no hydrogen 3.062 N/A GLN 132.A NE2 SER 324.A O no hydrogen 2.778 N/A ILE 133.A N LEU 129.A O no hydrogen 3.134 N/A LEU 134.A N LEU 130.A O no hydrogen 3.001 N/A ASP 135.A N TYR 131.A O no hydrogen 2.911 N/A GLY 136.A N GLN 132.A O no hydrogen 3.015 N/A ILE 137.A N ILE 133.A O no hydrogen 3.072 N/A HIS 138.A N LEU 134.A O no hydrogen 2.898 N/A TYR 139.A N ASP 135.A O no hydrogen 3.188 N/A LEU 140.A N GLY 136.A O no hydrogen 3.215 N/A HIS 141.A N ILE 137.A O no hydrogen 2.771 N/A HIS 141.A NE2 ASP 203.A OD2 no hydrogen 2.886 N/A ALA 142.A N HIS 138.A O no hydrogen 2.805 N/A ASN 143.A N TYR 139.A O no hydrogen 3.310 N/A ASN 143.A N LEU 140.A O no hydrogen 3.082 N/A ASN 143.A ND2 TYR 139.A O no hydrogen 2.677 N/A TRP 144.A N HIS 141.A O no hydrogen 2.987 N/A VAL 145.A N LEU 140.A O no hydrogen 2.787 N/A HIS 147.A N ASP 203.A OD2 no hydrogen 2.857 N/A HIS 147.A NE2 ALA 170.A O no hydrogen 2.723 N/A ARG 148.A N ASP 203.A OD1 no hydrogen 2.957 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.270 N/A ASN 154.A N LYS 151.A O no hydrogen 2.891 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.555 N/A ILE 155.A N PRO 152.A O no hydrogen 3.302 N/A LEU 156.A N LYS 168.A O no hydrogen 2.897 N/A VAL 157.A N HIS 104.A O no hydrogen 3.071 N/A MET 158.A N ARG 166.A O no hydrogen 2.966 N/A ARG 164.A NE GLU 160.A OE2 no hydrogen 3.165 N/A GLY 165.A N MET 158.A O no hydrogen 2.892 N/A ARG 166.A N GLU 163.A O no hydrogen 3.131 N/A ARG 166.A NH1 GLU 163.A OE1 no hydrogen 3.413 N/A VAL 167.A N GLN 132.A OE1 no hydrogen 2.787 N/A LYS 168.A N LEU 156.A O no hydrogen 2.792 N/A LYS 168.A NZ PRO 78.A O no hydrogen 2.720 N/A LYS 168.A NZ GLU 163.A OE1 no hydrogen 2.745 N/A ILE 169.A N ASN 79.A O no hydrogen 3.070 N/A ALA 170.A N ASN 154.A O no hydrogen 2.914 N/A GLY 173.A N HIS 147.A O no hydrogen 2.552 N/A ARG 176.A NH1 ALA 175.A O no hydrogen 3.437 N/A ASN 179.A N ARG 176.A O no hydrogen 3.266 N/A ASN 179.A ND2 TYR 198.A O no hydrogen 3.593 N/A SER 180.A OG ARG 196.A O no hydrogen 2.824 N/A LEU 182.A N SER 180.A OG no hydrogen 3.227 N/A TYR 186.A OH GLU 213.A OE1 no hydrogen 2.684 N/A ARG 187.A N PHE 184.A O no hydrogen 3.316 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.718 N/A LEU 191.A N ALA 188.A O no hydrogen 2.990 N/A LEU 192.A N ALA 188.A O no hydrogen 3.320 N/A LEU 193.A N PRO 189.A O no hydrogen 2.813 N/A GLY 194.A N LEU 191.A O no hydrogen 3.131 N/A ALA 195.A N GLU 190.A O no hydrogen 2.782 N/A HIS 197.A ND1 ASN 179.A O no hydrogen 3.137 N/A LYS 200.A NZ HIS 141.A O no hydrogen 3.278 N/A ILE 202.A N THR 199.A O no hydrogen 3.247 N/A ILE 202.A N THR 199.A OG1 no hydrogen 3.128 N/A ILE 204.A N LYS 200.A O no hydrogen 3.339 N/A TRP 205.A N ALA 201.A O no hydrogen 3.172 N/A ALA 206.A N ILE 202.A O no hydrogen 3.519 N/A ILE 207.A N ASP 203.A O no hydrogen 3.191 N/A GLY 208.A N ILE 204.A O no hydrogen 3.018 N/A CYS 209.A N TRP 205.A O no hydrogen 3.012 N/A CYS 209.A SG TRP 185.A O no hydrogen 3.845 N/A CYS 209.A SG TRP 205.A O no hydrogen 3.423 N/A ILE 210.A N ALA 206.A O no hydrogen 3.012 N/A PHE 211.A N ILE 207.A O no hydrogen 2.811 N/A ALA 212.A N GLY 208.A O no hydrogen 2.930 N/A GLU 213.A N CYS 209.A O no hydrogen 2.929 N/A LEU 214.A N ILE 210.A O no hydrogen 2.790 N/A LEU 215.A N PHE 211.A O no hydrogen 3.127 N/A THR 216.A N ALA 212.A O no hydrogen 3.078 N/A THR 216.A OG1 ALA 212.A O no hydrogen 3.038 N/A SER 217.A N GLU 213.A O no hydrogen 2.704 N/A GLU 218.A N THR 216.A OG1 no hydrogen 3.176 N/A HIS 222.A N PRO 219.A O no hydrogen 3.298 N/A HIS 230.A ND1 ASP 231.A OD1 no hydrogen 3.137 N/A GLN 232.A N HIS 229.A ND1 no hydrogen 3.300 N/A GLN 232.A NE2 PHE 221.A O no hydrogen 3.129 N/A GLN 232.A NE2 GLN 232.A O no hydrogen 3.522 N/A LEU 233.A N HIS 229.A O no hydrogen 3.206 N/A ASP 234.A N HIS 230.A O no hydrogen 2.772 N/A ARG 235.A N ASP 231.A O no hydrogen 3.012 N/A ARG 235.A NE ILE 220.A O no hydrogen 3.115 N/A ILE 236.A N GLN 232.A O no hydrogen 3.032 N/A PHE 237.A N LEU 233.A O no hydrogen 3.008 N/A ASN 238.A N ASP 234.A O no hydrogen 2.903 N/A VAL 239.A N ARG 235.A O no hydrogen 3.085 N/A MET 240.A N ILE 236.A O no hydrogen 2.766 N/A GLY 241.A N PHE 237.A O no hydrogen 2.754 N/A ALA 244.A N ASP 247.A OD2 no hydrogen 2.980 N/A TRP 248.A N ALA 244.A O no hydrogen 3.284 N/A LYS 253.A N ASP 250.A O no hydrogen 2.762 N/A MET 254.A N ILE 251.A O no hydrogen 3.151 N/A GLU 256.A N LEU 193.A O no hydrogen 3.267 N/A HIS 257.A N MET 254.A O no hydrogen 3.358 N/A THR 259.A OG1 GLU 256.A OE1 no hydrogen 3.011 N/A LEU 260.A N GLU 256.A O no hydrogen 3.066 N/A MET 261.A N HIS 257.A O no hydrogen 3.038 N/A LYS 262.A N SER 258.A O no hydrogen 2.963 N/A ASP 263.A N THR 259.A O no hydrogen 3.032 N/A PHE 264.A N LEU 260.A O no hydrogen 2.934 N/A ARG 266.A NH2 PRO 243.A O no hydrogen 3.392 N/A THR 268.A N ARG 265.A O no hydrogen 3.028 N/A THR 268.A OG1 ARG 265.A O no hydrogen 3.005 N/A TYR 269.A N ARG 266.A O no hydrogen 3.100 N/A TYR 269.A OH ASP 234.A OD1 no hydrogen 2.542 N/A THR 270.A N ASN 267.A O no hydrogen 3.328 N/A CYS 272.A SG ASN 238.A O no hydrogen 3.462 N/A LYS 276.A N SER 273.A OG no hydrogen 3.230 N/A TYR 277.A N SER 273.A O no hydrogen 3.060 N/A MET 278.A N LEU 274.A O no hydrogen 3.039 N/A GLU 279.A N ILE 275.A O no hydrogen 2.954 N/A LYS 280.A N LYS 276.A O no hydrogen 3.223 N/A HIS 281.A N MET 278.A O no hydrogen 3.263 N/A HIS 281.A ND1 TYR 277.A O no hydrogen 3.247 N/A LYS 282.A N GLU 279.A O no hydrogen 3.225 N/A VAL 283.A N MET 278.A O no hydrogen 2.932 N/A SER 287.A N LYS 284.A O no hydrogen 3.300 N/A SER 287.A OG LYS 284.A O no hydrogen 2.697 N/A PHE 290.A N SER 287.A O no hydrogen 3.218 N/A PHE 290.A N SER 287.A OG no hydrogen 3.298 N/A HIS 291.A N SER 287.A O no hydrogen 3.357 N/A LEU 292.A N LYS 288.A O no hydrogen 3.080 N/A LEU 293.A N ALA 289.A O no hydrogen 3.080 N/A GLN 294.A N PHE 290.A O no hydrogen 2.878 N/A LYS 295.A N HIS 291.A O no hydrogen 3.302 N/A LEU 296.A N LEU 292.A O no hydrogen 2.994 N/A LEU 297.A N LEU 293.A O no hydrogen 2.721 N/A THR 298.A OG1 GLN 294.A O no hydrogen 3.094 N/A THR 298.A OG1 LYS 295.A O no hydrogen 3.128 N/A LYS 303.A N ASP 300.A O no hydrogen 3.052 N/A LYS 303.A NZ LYS 246.A O no hydrogen 2.953 N/A ARG 304.A N PRO 301.A O no hydrogen 3.169 N/A ARG 304.A NE THR 298.A O no hydrogen 3.000 N/A ARG 304.A NH1 GLU 190.A OE2 no hydrogen 3.240 N/A ARG 304.A NH1 ALA 201.A O no hydrogen 3.114 N/A ARG 304.A NH2 GLU 190.A OE1 no hydrogen 3.235 N/A ARG 304.A NH2 THR 298.A O no hydrogen 3.174 N/A ARG 304.A NH2 MET 299.A O no hydrogen 3.016 N/A ILE 305.A N LYS 295.A O no hydrogen 3.364 N/A THR 306.A N GLN 309.A OE1 no hydrogen 3.240 N/A GLN 309.A N THR 306.A OG1 no hydrogen 3.318 N/A ALA 310.A N THR 306.A O no hydrogen 2.887 N/A MET 311.A N SER 307.A O no hydrogen 3.073 N/A GLN 312.A N GLU 308.A O no hydrogen 3.288 N/A ASP 313.A N ALA 310.A O no hydrogen 3.116 N/A TYR 315.A N ASP 313.A OD2 no hydrogen 2.967 N/A PHE 316.A N ASP 313.A O no hydrogen 3.126 N/A LEU 317.A N PRO 314.A O no hydrogen 3.057 N/A GLU 318.A N TYR 315.A O no hydrogen 3.346 N/A THR 323.A N SER 128.A OG no hydrogen 2.927 N/A THR 323.A OG1 SER 128.A OG no hydrogen 3.349 N/A THR 323.A OG1 ASP 325.A O no hydrogen 2.573 N/A VAL 326.A N GLY 165.A O no hydrogen 2.788 N/A PHE 327.A N ASP 325.A OD1 no hydrogen 3.013 N/A ALA 328.A N ASP 325.A O no hydrogen 2.983 N/A GLY 329.A N ASP 325.A OD2 no hydrogen 3.074 N/A CYS 330.A N PHE 327.A O no hydrogen 3.040 N/A CYS 330.A SG PHE 327.A O no hydrogen 3.270 N/A TYR 334.A OH HIS 113.A NE2 no hydrogen 2.561 N/A ARG 337.A N GLU 103.A OE2 no hydrogen 2.823 N/A ARG 337.A NE ALA 102.A O no hydrogen 3.205 N/A ARG 337.A NH1 ASP 105.A OD1 no hydrogen 3.243 N/A ARG 337.A NH2 ALA 102.A O no hydrogen 3.281 N/A ARG 337.A NH2 ASP 105.A OD1 no hydrogen 3.378 N/A LEU 340.A N LYS 28.A O no hydrogen 2.631 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.865 N/A