Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xbr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N PHE 242.A O no hydrogen 2.822 N/A ARG 5.A NH1 GLU 238.A OE2 no hydrogen 2.766 N/A ARG 5.A NH1 ASN 243.A OD1 no hydrogen 2.785 N/A ARG 5.A NH2 GLU 238.A OE2 no hydrogen 3.181 N/A SER 6.A N TYR 206.A OH no hydrogen 3.523 N/A ARG 7.A NE ASP 171.A OD1 no hydrogen 3.205 N/A ARG 7.A NE ASP 171.A OD2 no hydrogen 2.763 N/A ARG 7.A NH2 ASP 171.A OD1 no hydrogen 3.172 N/A ARG 7.A NH2 GLU 233.A OE2 no hydrogen 2.937 N/A LEU 10.A N GLY 203.A O no hydrogen 2.667 N/A LEU 12.A N LEU 201.A O no hydrogen 2.997 N/A ALA 18.A N ASN 15.A OD1 no hydrogen 3.031 N/A ASP 19.A N CYS 16.A O no hydrogen 2.846 N/A LEU 20.A N CYS 16.A O no hydrogen 2.823 N/A ARG 25.A NH1 GLU 29.A OE2 no hydrogen 3.395 N/A HIS 28.A N GLN 24.A O no hydrogen 3.242 N/A GLU 29.A N ARG 25.A O no hydrogen 3.165 N/A GLN 30.A N VAL 26.A O no hydrogen 3.104 N/A PHE 31.A N SER 27.A O no hydrogen 2.787 N/A ARG 32.A N HIS 28.A O no hydrogen 2.636 N/A ARG 32.A NE GLY 115.A O no hydrogen 3.173 N/A ARG 32.A NH2 GLY 115.A O no hydrogen 3.043 N/A ALA 33.A N GLU 29.A O no hydrogen 2.949 N/A ALA 34.A N GLN 30.A O no hydrogen 3.034 N/A LEU 35.A N PHE 31.A O no hydrogen 3.076 N/A GLN 36.A N ARG 32.A O no hydrogen 2.884 N/A GLN 36.A NE2 GLN 36.A O no hydrogen 3.121 N/A LEU 37.A N ALA 33.A O no hydrogen 3.269 N/A LEU 37.A N ALA 34.A O no hydrogen 2.945 N/A VAL 38.A N ALA 34.A O no hydrogen 3.154 N/A VAL 39.A N LEU 35.A O no hydrogen 2.911 N/A ASP 40.A N SER 111.A O no hydrogen 2.823 N/A ARG 45.A N ASP 43.A OD1 no hydrogen 3.057 N/A ARG 45.A NE ASP 43.A OD1 no hydrogen 2.863 N/A ARG 45.A NH2 ASP 43.A OD2 no hydrogen 2.349 N/A SER 46.A N ASP 43.A O no hydrogen 3.266 N/A SER 46.A OG ASP 43.A O no hydrogen 3.211 N/A TYR 47.A N PRO 44.A O no hydrogen 2.704 N/A TYR 47.A OH TYR 112.A OH no hydrogen 2.860 N/A ASP 49.A N THR 66.A O no hydrogen 2.779 N/A ILE 52.A N ILE 64.A O no hydrogen 3.054 N/A LYS 53.A NZ GLU 56.A OE1 no hydrogen 3.199 N/A ILE 54.A N VAL 62.A O no hydrogen 2.720 N/A THR 59.A OG1 GLU 93.A OE2 no hydrogen 3.349 N/A ILE 61.A N LYS 78.A O no hydrogen 3.025 N/A VAL 62.A N GLY 55.A O no hydrogen 2.709 N/A CYS 63.A N VAL 76.A O no hydrogen 2.903 N/A ILE 64.A N ILE 52.A O no hydrogen 2.914 N/A ALA 65.A N VAL 74.A O no hydrogen 3.001 N/A THR 66.A N ASP 49.A O no hydrogen 2.974 N/A VAL 67.A N LYS 72.A O no hydrogen 2.799 N/A ARG 68.A N TYR 47.A O no hydrogen 3.017 N/A ARG 68.A NH2 ARG 45.A O no hydrogen 3.495 N/A ARG 68.A NH2 SER 46.A O no hydrogen 2.832 N/A SER 70.A N VAL 67.A O no hydrogen 3.335 N/A GLY 71.A N VAL 67.A O no hydrogen 2.860 N/A LYS 72.A N SER 70.A OG no hydrogen 3.125 N/A LYS 72.A NZ TYR 109.A OH no hydrogen 3.299 N/A VAL 74.A N ALA 65.A O no hydrogen 3.012 N/A ALA 75.A N MET 122.A O no hydrogen 2.876 N/A VAL 76.A N CYS 63.A O no hydrogen 2.704 N/A LYS 77.A N VAL 120.A O no hydrogen 2.978 N/A LYS 77.A NZ GLU 93.A OE1 no hydrogen 3.158 N/A LYS 77.A NZ ASP 185.A OD1 no hydrogen 3.334 N/A LYS 78.A N ILE 61.A O no hydrogen 2.805 N/A MET 79.A N LEU 118.A O no hydrogen 2.794 N/A LEU 81.A N ASP 116.A O no hydrogen 2.789 N/A ARG 82.A N ASP 80.A OD1 no hydrogen 3.052 N/A ARG 82.A NH1 ASP 116.A OD2 no hydrogen 2.916 N/A GLN 84.A NE2 THR 59.A O no hydrogen 2.757 N/A GLN 84.A NE2 ASP 80.A O no hydrogen 3.126 N/A ARG 86.A NE GLU 88.A OE2 no hydrogen 3.149 N/A ARG 86.A NH1 LEU 12.A O no hydrogen 3.070 N/A ARG 86.A NH2 GLU 88.A OE2 no hydrogen 3.501 N/A ARG 87.A NH1 GLN 24.A OE1 no hydrogen 3.054 N/A ARG 87.A NH2 SER 27.A OG no hydrogen 2.901 N/A LEU 89.A N ARG 86.A O no hydrogen 2.818 N/A LEU 90.A N ARG 87.A O no hydrogen 3.191 N/A PHE 91.A N GLU 88.A O no hydrogen 3.175 N/A ASN 92.A N LEU 89.A O no hydrogen 2.856 N/A ASN 92.A ND2 GLY 187.A O no hydrogen 3.252 N/A ASN 92.A ND2 CYS 189.A O no hydrogen 2.691 N/A GLU 93.A N LEU 90.A O no hydrogen 3.138 N/A VAL 94.A N PHE 91.A O no hydrogen 3.196 N/A VAL 95.A N PHE 91.A O no hydrogen 2.974 N/A ILE 96.A N ASN 92.A O no hydrogen 3.154 N/A ARG 98.A NH2 VAL 38.A O no hydrogen 3.158 N/A ASP 99.A N VAL 95.A O no hydrogen 3.097 N/A GLN 101.A N GLN 101.A OE1 no hydrogen 2.833 N/A ASN 104.A N HIS 102.A ND1 no hydrogen 2.955 N/A ASN 104.A ND2 VAL 181.A O no hydrogen 2.985 N/A VAL 105.A N HIS 102.A O no hydrogen 3.216 N/A VAL 106.A N LEU 183.A O no hydrogen 3.038 N/A GLU 107.A N GLU 123.A OE1 no hydrogen 2.686 N/A TYR 109.A N VAL 121.A O no hydrogen 2.793 N/A ASN 110.A N VAL 121.A O no hydrogen 3.188 N/A ASN 110.A ND2 ASP 40.A OD2 no hydrogen 3.043 N/A SER 111.A N ASP 40.A OD2 no hydrogen 2.883 N/A SER 111.A OG ASP 40.A OD2 no hydrogen 3.476 N/A TYR 112.A N TRP 119.A O no hydrogen 2.872 N/A TYR 112.A OH TYR 47.A OH no hydrogen 2.860 N/A VAL 114.A N GLU 117.A O no hydrogen 2.745 N/A GLU 117.A N VAL 114.A O no hydrogen 2.733 N/A LEU 118.A N MET 79.A O no hydrogen 2.658 N/A TRP 119.A N TYR 112.A O no hydrogen 2.915 N/A TRP 119.A NE1 GLU 117.A OE1 no hydrogen 2.691 N/A VAL 120.A N LYS 77.A O no hydrogen 2.902 N/A VAL 121.A N ASN 110.A O no hydrogen 2.784 N/A MET 122.A N ALA 75.A O no hydrogen 2.917 N/A GLU 123.A N GLU 107.A O no hydrogen 2.920 N/A GLU 126.A N GLU 126.A OE2 no hydrogen 2.718 N/A GLY 128.A N LEU 125.A O no hydrogen 3.341 N/A LEU 130.A N ILE 173.A O no hydrogen 2.882 N/A THR 131.A OG1 SER 170.A OG no hydrogen 3.107 N/A VAL 134.A N LEU 130.A O no hydrogen 3.087 N/A THR 135.A N THR 131.A O no hydrogen 2.949 N/A THR 135.A OG1 THR 131.A O no hydrogen 3.247 N/A THR 135.A OG1 ASP 132.A O no hydrogen 3.045 N/A HIS 136.A N ILE 133.A O no hydrogen 3.191 N/A HIS 136.A ND1 ASP 132.A OD1 no hydrogen 3.025 N/A ASN 140.A N GLN 143.A OE1 no hydrogen 2.917 N/A GLN 143.A N ASN 140.A OD1 no hydrogen 2.976 N/A GLN 143.A NE2 SER 306.A O no hydrogen 2.800 N/A ILE 144.A N ASN 140.A O no hydrogen 2.925 N/A ALA 145.A N GLU 141.A O no hydrogen 2.747 N/A ALA 146.A N GLU 142.A O no hydrogen 3.140 N/A VAL 147.A N GLN 143.A O no hydrogen 3.009 N/A CYS 148.A N ILE 144.A O no hydrogen 3.028 N/A CYS 148.A SG ILE 144.A O no hydrogen 3.502 N/A LEU 149.A N ALA 145.A O no hydrogen 2.993 N/A ALA 150.A N ALA 146.A O no hydrogen 3.282 N/A VAL 151.A N VAL 147.A O no hydrogen 3.037 N/A LEU 152.A N CYS 148.A O no hydrogen 2.623 N/A GLN 153.A N LEU 149.A O no hydrogen 2.836 N/A GLN 153.A NE2 GLU 103.A OE2 no hydrogen 3.401 N/A GLN 153.A NE2 ASN 104.A OD1 no hydrogen 2.762 N/A ALA 154.A N ALA 150.A O no hydrogen 3.129 N/A LEU 155.A N VAL 151.A O no hydrogen 2.862 N/A SER 156.A N LEU 152.A O no hydrogen 2.869 N/A SER 156.A OG GLN 153.A O no hydrogen 2.737 N/A VAL 157.A N GLN 153.A O no hydrogen 3.492 N/A LEU 158.A N ALA 154.A O no hydrogen 3.060 N/A HIS 159.A N LEU 155.A O no hydrogen 2.830 N/A HIS 159.A NE2 ASP 223.A OD2 no hydrogen 2.744 N/A ALA 160.A N SER 156.A O no hydrogen 2.809 N/A GLY 162.A N HIS 159.A O no hydrogen 2.806 N/A VAL 163.A N LEU 158.A O no hydrogen 2.691 N/A ILE 164.A N ALA 190.A O no hydrogen 2.974 N/A HIS 165.A N ASP 223.A OD2 no hydrogen 2.808 N/A ARG 166.A N ASP 223.A OD1 no hydrogen 3.004 N/A ARG 166.A NE PHE 188.A O no hydrogen 2.628 N/A ARG 166.A NH1 TYR 218.A OH no hydrogen 2.850 N/A ARG 166.A NH2 PHE 188.A O no hydrogen 3.030 N/A ASP 167.A N HIS 165.A ND1 no hydrogen 3.057 N/A LYS 169.A NZ ARG 7.A O no hydrogen 3.214 N/A LYS 169.A NZ ASP 167.A OD1 no hydrogen 3.426 N/A LYS 169.A NZ ASP 167.A OD2 no hydrogen 3.373 N/A LYS 169.A NZ THR 204.A OG1 no hydrogen 2.763 N/A SER 170.A N GLU 233.A OE1 no hydrogen 3.411 N/A SER 170.A OG THR 131.A OG1 no hydrogen 3.107 N/A SER 170.A OG GLU 233.A OE1 no hydrogen 3.297 N/A SER 170.A OG GLU 233.A OE2 no hydrogen 2.335 N/A SER 172.A N LYS 169.A O no hydrogen 2.902 N/A SER 172.A OG ASP 167.A O no hydrogen 2.918 N/A ILE 173.A N SER 170.A O no hydrogen 3.116 N/A LEU 174.A N LYS 182.A O no hydrogen 2.871 N/A LEU 175.A N GLY 128.A O no hydrogen 3.070 N/A THR 176.A N ARG 180.A O no hydrogen 2.988 N/A THR 176.A OG1 ASP 178.A OD1 no hydrogen 2.717 N/A HIS 177.A N GLU 126.A OE1 no hydrogen 3.037 N/A HIS 177.A ND1 GLU 126.A OE1 no hydrogen 2.671 N/A GLY 179.A N THR 176.A O no hydrogen 3.168 N/A ARG 180.A N THR 176.A OG1 no hydrogen 3.000 N/A LYS 182.A N LEU 174.A O no hydrogen 2.865 N/A LYS 182.A NZ GLU 123.A OE1 no hydrogen 3.103 N/A LYS 182.A NZ GLU 123.A OE2 no hydrogen 3.089 N/A LEU 183.A N ASN 104.A O no hydrogen 2.664 N/A CYS 189.A N PHE 186.A O no hydrogen 3.530 N/A CYS 189.A SG PHE 186.A O no hydrogen 3.207 N/A ALA 190.A N ILE 164.A O no hydrogen 3.085 N/A GLN 191.A NE2 GLN 161.A O no hydrogen 2.772 N/A VAL 192.A N GLY 162.A O no hydrogen 2.776 N/A SER 193.A N VAL 196.A O no hydrogen 2.881 N/A ARG 198.A NH1 PRO 197.A O no hydrogen 3.271 N/A ARG 198.A NH2 GLU 221.A OE2 no hydrogen 2.496 N/A ARG 199.A N TYR 218.A O no hydrogen 2.881 N/A ARG 199.A NH1 GLN 191.A O no hydrogen 2.691 N/A GLY 203.A N LEU 10.A O no hydrogen 2.992 N/A THR 204.A OG1 ASP 167.A OD1 no hydrogen 2.865 N/A TYR 206.A OH GLU 244.A O no hydrogen 2.907 N/A TRP 207.A N THR 204.A O no hydrogen 2.827 N/A TRP 207.A NE1 GLU 233.A OE1 no hydrogen 2.882 N/A MET 208.A N PRO 205.A O no hydrogen 2.974 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.813 N/A ILE 213.A N ALA 209.A O no hydrogen 3.213 N/A SER 214.A N PRO 210.A O no hydrogen 2.968 N/A SER 214.A OG PRO 210.A O no hydrogen 3.108 N/A ARG 215.A N LEU 212.A O no hydrogen 3.285 N/A ARG 215.A NH2 LYS 200.A O no hydrogen 3.029 N/A LEU 216.A N GLU 211.A O no hydrogen 3.133 N/A TYR 218.A N ARG 199.A O no hydrogen 2.795 N/A VAL 222.A N GLY 219.A O no hydrogen 3.058 N/A ASP 223.A N PRO 220.A O no hydrogen 3.252 N/A ILE 224.A N GLU 221.A O no hydrogen 2.897 N/A TRP 225.A N GLU 221.A O no hydrogen 3.352 N/A SER 226.A N VAL 222.A O no hydrogen 3.011 N/A SER 226.A OG TRP 207.A O no hydrogen 2.928 N/A SER 226.A OG VAL 222.A O no hydrogen 3.143 N/A LEU 227.A N ASP 223.A O no hydrogen 2.865 N/A GLY 228.A N ILE 224.A O no hydrogen 3.044 N/A ILE 229.A N TRP 225.A O no hydrogen 3.107 N/A MET 230.A N SER 226.A O no hydrogen 2.895 N/A VAL 231.A N LEU 227.A O no hydrogen 2.872 N/A ILE 232.A N GLY 228.A O no hydrogen 3.087 N/A GLU 233.A N ILE 229.A O no hydrogen 3.049 N/A MET 234.A N MET 230.A O no hydrogen 3.020 N/A VAL 235.A N VAL 231.A O no hydrogen 2.981 N/A ASP 236.A N ILE 232.A O no hydrogen 2.702 N/A GLY 237.A N GLU 233.A O no hydrogen 2.565 N/A GLU 244.A N TYR 241.A O no hydrogen 3.223 N/A ALA 249.A N PRO 245.A O no hydrogen 2.817 N/A MET 250.A N PRO 246.A O no hydrogen 2.936 N/A LYS 251.A N LEU 247.A O no hydrogen 3.330 N/A LYS 251.A NZ HIS 22.A O no hydrogen 2.718 N/A MET 252.A N LYS 248.A O no hydrogen 3.171 N/A ILE 253.A N ALA 249.A O no hydrogen 2.915 N/A ARG 254.A N MET 250.A O no hydrogen 2.887 N/A ARG 254.A NE ASP 255.A OD1 no hydrogen 3.270 N/A ASP 255.A N LYS 251.A O no hydrogen 3.084 N/A ASN 256.A N MET 252.A O no hydrogen 2.881 N/A ASN 256.A ND2 TYR 241.A OH no hydrogen 3.190 N/A LYS 262.A N ASP 236.A OD2 no hydrogen 2.930 N/A HIS 265.A N ASN 263.A OD1 no hydrogen 3.420 N/A SER 268.A N GLU 141.A OE2 no hydrogen 2.801 N/A SER 268.A OG GLU 141.A OE1 no hydrogen 2.868 N/A LEU 271.A N SER 268.A OG no hydrogen 2.977 N/A LYS 272.A N SER 268.A O no hydrogen 3.020 N/A LYS 272.A NZ ASP 276.A OD1 no hydrogen 3.260 N/A GLY 273.A N PRO 269.A O no hydrogen 2.824 N/A PHE 274.A N SER 270.A O no hydrogen 3.087 N/A LEU 275.A N LEU 271.A O no hydrogen 3.029 N/A ASP 276.A N LYS 272.A O no hydrogen 3.193 N/A ARG 277.A N PHE 274.A O no hydrogen 2.854 N/A ARG 277.A NH1 GLN 285.A O no hydrogen 2.788 N/A ARG 277.A NH2 GLN 285.A O no hydrogen 3.135 N/A ARG 277.A NH2 GLU 291.A OE1 no hydrogen 3.352 N/A LEU 278.A N LEU 275.A O no hydrogen 3.027 N/A LEU 279.A N LEU 275.A O no hydrogen 3.051 N/A VAL 280.A N LEU 278.A O no hydrogen 2.955 N/A ARG 281.A NH1 ILE 253.A O no hydrogen 3.267 N/A ARG 281.A NH1 ARG 254.A O no hydrogen 2.964 N/A ARG 281.A NH2 ARG 254.A O no hydrogen 2.845 N/A ALA 284.A N ASP 282.A OD1 no hydrogen 3.130 N/A GLN 285.A N ASP 282.A O no hydrogen 3.122 N/A ARG 286.A N ASP 282.A O no hydrogen 3.118 N/A ARG 286.A NE VAL 280.A O no hydrogen 2.836 N/A ARG 286.A NH1 GLU 211.A OE2 no hydrogen 2.928 N/A ARG 286.A NH1 GLU 221.A O no hydrogen 3.336 N/A ARG 286.A NH2 GLU 211.A OE1 no hydrogen 3.050 N/A ARG 286.A NH2 VAL 280.A O no hydrogen 2.827 N/A ALA 287.A N ARG 277.A O no hydrogen 3.243 N/A GLU 291.A N THR 288.A OG1 no hydrogen 3.211 N/A LEU 292.A N THR 288.A O no hydrogen 2.808 N/A LEU 293.A N ALA 289.A O no hydrogen 3.061 N/A LYS 294.A N GLU 291.A O no hydrogen 2.983 N/A HIS 295.A N LEU 292.A O no hydrogen 2.956 N/A PHE 297.A N HIS 295.A ND1 no hydrogen 2.989 N/A LEU 298.A N HIS 295.A O no hydrogen 3.048 N/A ALA 299.A N PRO 296.A O no hydrogen 3.024 N/A LYS 300.A N PHE 297.A O no hydrogen 2.740 N/A LYS 300.A NZ GLU 141.A OE1 no hydrogen 3.060 N/A ALA 301.A N LEU 298.A O no hydrogen 3.017 N/A GLY 302.A N GLU 142.A O no hydrogen 3.218 N/A SER 306.A N PRO 303.A O no hydrogen 3.085 N/A SER 306.A OG PRO 303.A O no hydrogen 2.674 N/A ILE 307.A N PRO 304.A O no hydrogen 2.751 N/A LEU 310.A N ILE 307.A O no hydrogen 2.867 N/A MET 311.A N VAL 308.A O no hydrogen 3.207 N/A ARG 312.A NH2 ASP 132.A OD1 no hydrogen 3.181 N/A ASN 314.A N MET 311.A O no hydrogen 2.719 N/A ASN 314.A ND2 VAL 308.A O no hydrogen 2.744 N/A ARG 315.A N ARG 312.A O no hydrogen 3.291 N/A ARG 315.A NH2 ASP 132.A OD2 no hydrogen 3.321 N/A ARG 315.A NH2 LEU 310.A O no hydrogen 3.246 N/A