Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a46_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE ASP 5.A OD1 no hydrogen 3.072 N/A ARG 7.A NE ASP 5.A OD2 no hydrogen 3.370 N/A ARG 7.A NH2 ASP 5.A OD2 no hydrogen 3.518 N/A TRP 8.A N ASP 5.A O no hydrogen 3.361 N/A GLU 9.A N ASP 5.A O no hydrogen 3.084 N/A LEU 10.A N ALA 87.A O no hydrogen 3.006 N/A ARG 12.A NE GLN 90.A O no hydrogen 2.719 N/A ARG 12.A NH1 PRO 93.A O no hydrogen 2.782 N/A ARG 12.A NH2 GLN 90.A O no hydrogen 2.868 N/A ARG 12.A NH2 PRO 93.A O no hydrogen 3.291 N/A ARG 14.A N PRO 11.A O no hydrogen 3.175 N/A ARG 14.A NE ASP 13.A OD1 no hydrogen 3.299 N/A LEU 15.A N ARG 12.A O no hydrogen 3.138 N/A VAL 16.A N GLU 33.A O no hydrogen 2.820 N/A LEU 21.A N VAL 29.A O no hydrogen 2.809 N/A GLY 22.A N VAL 29.A O no hydrogen 3.156 N/A GLN 28.A N MET 52.A O no hydrogen 2.844 N/A VAL 29.A N GLY 22.A O no hydrogen 3.262 N/A VAL 30.A N VAL 50.A O no hydrogen 3.073 N/A LEU 31.A N LYS 19.A O no hydrogen 2.840 N/A ALA 32.A N VAL 48.A O no hydrogen 2.913 N/A GLU 33.A N VAL 16.A O no hydrogen 2.808 N/A ALA 34.A N THR 46.A O no hydrogen 2.951 N/A ILE 35.A N ARG 14.A O no hydrogen 2.670 N/A GLY 36.A N ARG 44.A O no hydrogen 2.809 N/A THR 46.A N ALA 34.A O no hydrogen 3.118 N/A LYS 47.A NZ GLU 33.A OE2 no hydrogen 3.271 N/A VAL 48.A N ALA 32.A O no hydrogen 2.810 N/A ALA 49.A N VAL 98.A O no hydrogen 3.001 N/A VAL 50.A N VAL 30.A O no hydrogen 2.898 N/A LYS 51.A N VAL 96.A O no hydrogen 2.813 N/A LYS 51.A NZ GLU 68.A OE1 no hydrogen 3.249 N/A LYS 51.A NZ GLU 68.A OE2 no hydrogen 3.005 N/A LYS 51.A NZ ASP 168.A OD1 no hydrogen 3.282 N/A MET 52.A N GLN 28.A O no hydrogen 2.983 N/A THR 58.A N ASP 61.A OD2 no hydrogen 3.264 N/A THR 58.A OG1 ASP 61.A OD2 no hydrogen 2.705 N/A LEU 62.A N THR 58.A O no hydrogen 2.916 N/A SER 63.A N GLU 59.A O no hydrogen 3.084 N/A SER 63.A OG GLU 59.A O no hydrogen 2.928 N/A SER 63.A OG LYS 60.A O no hydrogen 2.795 N/A ASP 64.A N LYS 60.A O no hydrogen 3.006 N/A ILE 66.A N LEU 62.A O no hydrogen 3.239 N/A SER 67.A N SER 63.A O no hydrogen 3.053 N/A GLU 68.A N ASP 64.A O no hydrogen 3.123 N/A MET 69.A N LEU 65.A O no hydrogen 3.251 N/A GLU 70.A N ILE 66.A O no hydrogen 2.830 N/A MET 71.A N SER 67.A O no hydrogen 2.724 N/A MET 72.A N GLU 68.A O no hydrogen 3.066 N/A LYS 73.A N MET 69.A O no hydrogen 2.933 N/A LYS 73.A NZ ASP 5.A OD2 no hydrogen 2.813 N/A LYS 73.A NZ GLU 70.A OE2 no hydrogen 3.059 N/A MET 74.A N GLU 70.A O no hydrogen 3.327 N/A ILE 75.A N MET 71.A O no hydrogen 3.065 N/A GLY 76.A N MET 72.A O no hydrogen 3.257 N/A HIS 78.A N ASN 83.A OD1 no hydrogen 3.193 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 2.992 N/A ASN 80.A ND2 GLN 133.A OE1 no hydrogen 3.684 N/A ASN 80.A ND2 MET 164.A O no hydrogen 2.939 N/A ILE 82.A N ILE 166.A O no hydrogen 2.875 N/A ASN 83.A N GLU 99.A OE1 no hydrogen 2.791 N/A ASN 83.A ND2 HIS 78.A O no hydrogen 2.795 N/A ASN 83.A ND2 GLU 99.A OE1 no hydrogen 2.796 N/A ASN 83.A ND2 GLU 99.A OE2 no hydrogen 3.374 N/A LEU 85.A N ILE 97.A O no hydrogen 2.871 N/A GLY 86.A N ILE 97.A O no hydrogen 3.237 N/A ALA 87.A N TRP 8.A O no hydrogen 3.015 N/A CYS 88.A N TYR 95.A O no hydrogen 2.901 N/A CYS 88.A SG LEU 10.A O no hydrogen 3.286 N/A THR 89.A N GLU 9.A OE2 no hydrogen 2.956 N/A THR 89.A OG1 GLU 9.A OE1 no hydrogen 2.686 N/A GLN 90.A NE2 LEU 2.A O no hydrogen 2.744 N/A GLN 90.A NE2 THR 89.A OG1 no hydrogen 3.108 N/A TYR 95.A N CYS 88.A O no hydrogen 3.055 N/A VAL 96.A N LYS 51.A O no hydrogen 2.968 N/A ILE 97.A N GLY 86.A O no hydrogen 2.976 N/A VAL 98.A N ALA 49.A O no hydrogen 2.960 N/A GLU 99.A N ASN 83.A O no hydrogen 3.064 N/A SER 102.A OG GLU 160.A OE1 no hydrogen 3.024 N/A LYS 103.A N VAL 158.A O no hydrogen 2.871 N/A LYS 103.A NZ ASN 162.A OD1 no hydrogen 3.011 N/A GLY 104.A N ALA 101.A O no hydrogen 3.310 N/A ASN 105.A N GLU 108.A OE1 no hydrogen 3.509 N/A LEU 106.A N VAL 156.A O no hydrogen 2.762 N/A ARG 107.A NH1 GLN 111.A OE1 no hydrogen 3.285 N/A ARG 107.A NH2 GLU 108.A OE2 no hydrogen 3.201 N/A GLU 108.A N ASN 105.A OD1 no hydrogen 2.796 N/A TYR 109.A N ASN 105.A O no hydrogen 3.124 N/A LEU 110.A N LEU 106.A O no hydrogen 2.959 N/A GLN 111.A N ARG 107.A O no hydrogen 2.845 N/A GLN 111.A NE2 GLY 221.A O no hydrogen 3.072 N/A ALA 112.A N GLU 108.A O no hydrogen 2.982 N/A ARG 113.A N LEU 110.A O no hydrogen 3.119 N/A ARG 113.A NH1 TYR 109.A O no hydrogen 3.165 N/A ARG 114.A N GLN 111.A O no hydrogen 3.388 N/A ARG 114.A NE LEU 220.A O no hydrogen 3.169 N/A SER 123.A N ASP 126.A OD2 no hydrogen 2.862 N/A SER 123.A OG ASP 126.A OD2 no hydrogen 2.988 N/A SER 124.A N GLU 289.A O no hydrogen 2.970 N/A SER 124.A OG GLU 289.A O no hydrogen 2.677 N/A LYS 125.A N SER 286.A O no hydrogen 3.174 N/A LYS 125.A NZ VAL 282.A O no hydrogen 3.567 N/A LYS 125.A NZ THR 285.A O no hydrogen 2.811 N/A ASP 126.A N SER 123.A O no hydrogen 2.898 N/A LEU 127.A N SER 123.A O no hydrogen 3.170 N/A VAL 128.A N SER 124.A O no hydrogen 3.280 N/A SER 129.A N LYS 125.A O no hydrogen 3.251 N/A CYS 130.A N ASP 126.A O no hydrogen 3.141 N/A CYS 130.A SG ASP 126.A O no hydrogen 3.411 N/A ALA 131.A N LEU 127.A O no hydrogen 3.271 N/A TYR 132.A N VAL 128.A O no hydrogen 2.916 N/A GLN 133.A N SER 129.A O no hydrogen 3.125 N/A GLN 133.A NE2 SER 129.A O no hydrogen 3.159 N/A VAL 134.A N CYS 130.A O no hydrogen 3.246 N/A ALA 135.A N ALA 131.A O no hydrogen 3.103 N/A ARG 136.A N TYR 132.A O no hydrogen 2.871 N/A ARG 136.A NE ASN 80.A OD1 no hydrogen 3.229 N/A ARG 136.A NH2 ASN 80.A OD1 no hydrogen 3.308 N/A GLY 137.A N GLN 133.A O no hydrogen 2.895 N/A MET 138.A N VAL 134.A O no hydrogen 3.067 N/A GLU 139.A N ALA 135.A O no hydrogen 2.951 N/A TYR 140.A N ARG 136.A O no hydrogen 3.176 N/A TYR 140.A OH ILE 75.A O no hydrogen 2.675 N/A LEU 141.A N GLY 137.A O no hydrogen 3.070 N/A ALA 142.A N MET 138.A O no hydrogen 2.841 N/A SER 143.A N GLU 139.A O no hydrogen 2.860 N/A SER 143.A OG TYR 140.A O no hydrogen 2.889 N/A LYS 144.A N TYR 140.A O no hydrogen 3.056 N/A LYS 145.A N ALA 142.A O no hydrogen 2.792 N/A CYS 146.A N LEU 141.A O no hydrogen 2.788 N/A CYS 146.A SG PHE 169.A O no hydrogen 3.470 N/A HIS 148.A N ASP 206.A OD2 no hydrogen 2.915 N/A HIS 148.A NE2 ALA 167.A O no hydrogen 2.782 N/A ARG 149.A N ASP 206.A OD1 no hydrogen 3.117 N/A ASP 150.A N HIS 148.A ND1 no hydrogen 3.226 N/A ALA 153.A N GLU 216.A OE1 no hydrogen 3.140 N/A ASN 155.A N ALA 152.A O no hydrogen 2.953 N/A ASN 155.A ND2 ASP 150.A O no hydrogen 2.956 N/A VAL 156.A N ALA 153.A O no hydrogen 3.140 N/A LEU 157.A N LYS 165.A O no hydrogen 2.888 N/A VAL 158.A N GLY 104.A O no hydrogen 2.790 N/A THR 159.A N VAL 163.A O no hydrogen 3.155 N/A ASP 161.A N THR 159.A OG1 no hydrogen 3.407 N/A ASN 162.A N THR 159.A O no hydrogen 2.799 N/A VAL 163.A N THR 159.A OG1 no hydrogen 3.198 N/A MET 164.A N GLN 133.A OE1 no hydrogen 2.838 N/A LYS 165.A N LEU 157.A O no hydrogen 2.893 N/A LYS 165.A NZ LYS 79.A O no hydrogen 2.821 N/A LYS 165.A NZ ILE 81.A O no hydrogen 3.351 N/A LYS 165.A NZ GLU 99.A OE1 no hydrogen 2.805 N/A LYS 165.A NZ GLU 99.A OE2 no hydrogen 3.356 N/A ILE 166.A N ASN 80.A O no hydrogen 2.995 N/A ALA 167.A N ASN 155.A O no hydrogen 2.827 N/A LYS 179.A N ASP 176.A O no hydrogen 3.291 N/A THR 181.A N ARG 185.A O no hydrogen 2.799 N/A THR 181.A OG1 ARG 185.A O no hydrogen 3.211 N/A GLY 184.A N THR 181.A O no hydrogen 3.166 N/A ARG 185.A N THR 181.A OG1 no hydrogen 3.012 N/A ARG 185.A NH2 GLY 221.A O no hydrogen 3.007 N/A LYS 189.A N LEU 186.A O no hydrogen 3.249 N/A LYS 189.A NZ TYR 225.A O no hydrogen 2.821 N/A LYS 189.A NZ VAL 228.A O no hydrogen 2.769 N/A TRP 190.A N PRO 187.A O no hydrogen 3.164 N/A TRP 190.A NE1 GLU 216.A OE1 no hydrogen 2.753 N/A MET 191.A N VAL 188.A O no hydrogen 3.269 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.823 N/A LEU 196.A N ALA 192.A O no hydrogen 2.921 N/A PHE 197.A N PRO 193.A O no hydrogen 2.749 N/A ASP 198.A N GLU 194.A O no hydrogen 2.815 N/A ILE 200.A N GLU 194.A O no hydrogen 3.384 N/A THR 202.A N SER 205.A OG no hydrogen 2.683 N/A SER 205.A N THR 202.A OG1 no hydrogen 3.261 N/A SER 205.A OG THR 202.A O no hydrogen 2.849 N/A ASP 206.A N THR 202.A O no hydrogen 3.416 N/A VAL 207.A N HIS 203.A O no hydrogen 3.044 N/A TRP 208.A N GLN 204.A O no hydrogen 3.042 N/A SER 209.A N SER 205.A O no hydrogen 3.280 N/A SER 209.A OG TRP 190.A O no hydrogen 2.700 N/A SER 209.A OG SER 205.A O no hydrogen 3.299 N/A PHE 210.A N ASP 206.A O no hydrogen 2.915 N/A GLY 211.A N VAL 207.A O no hydrogen 3.176 N/A GLY 211.A N TRP 208.A O no hydrogen 2.986 N/A VAL 212.A N TRP 208.A O no hydrogen 3.298 N/A LEU 213.A N SER 209.A O no hydrogen 2.951 N/A LEU 214.A N PHE 210.A O no hydrogen 2.906 N/A TRP 215.A N GLY 211.A O no hydrogen 3.353 N/A TRP 215.A NE1 ASP 244.A O no hydrogen 3.022 N/A GLU 216.A N VAL 212.A O no hydrogen 3.051 N/A ILE 217.A N LEU 213.A O no hydrogen 2.960 N/A ILE 217.A N LEU 214.A O no hydrogen 2.846 N/A PHE 218.A N LEU 214.A O no hydrogen 2.994 N/A THR 219.A N TRP 215.A O no hydrogen 3.094 N/A THR 219.A OG1 TRP 215.A O no hydrogen 2.928 N/A LEU 220.A N ILE 217.A O no hydrogen 2.929 N/A GLY 221.A N GLU 216.A O no hydrogen 2.744 N/A GLY 222.A N THR 219.A OG1 no hydrogen 2.943 N/A TYR 225.A OH HIS 241.A ND1 no hydrogen 3.170 N/A VAL 228.A N TYR 225.A O no hydrogen 3.302 N/A LEU 233.A N PRO 229.A O no hydrogen 3.123 N/A LEU 233.A N VAL 230.A O no hydrogen 3.078 N/A PHE 234.A N VAL 230.A O no hydrogen 3.345 N/A LEU 236.A N GLU 232.A O no hydrogen 3.181 N/A LEU 237.A N LEU 233.A O no hydrogen 2.987 N/A LYS 238.A N PHE 234.A O no hydrogen 2.968 N/A GLU 239.A N LYS 235.A O no hydrogen 3.109 N/A GLY 240.A N LEU 237.A O no hydrogen 3.383 N/A HIS 241.A N LEU 236.A O no hydrogen 2.861 N/A HIS 241.A ND1 TYR 225.A OH no hydrogen 3.170 N/A ARG 242.A NE TRP 261.A O no hydrogen 3.130 N/A ARG 242.A NH1 HIS 241.A O no hydrogen 2.780 N/A LYS 245.A NZ ASN 251.A OD1 no hydrogen 2.760 N/A CYS 249.A SG THR 250.A O no hydrogen 3.705 N/A LEU 253.A N THR 250.A OG1 no hydrogen 3.155 N/A TYR 254.A N THR 250.A O no hydrogen 3.252 N/A TYR 254.A OH MET 243.A O no hydrogen 2.873 N/A MET 255.A N ASN 251.A O no hydrogen 3.050 N/A MET 256.A N GLU 252.A O no hydrogen 3.012 N/A MET 257.A N LEU 253.A O no hydrogen 3.148 N/A ARG 258.A N TYR 254.A O no hydrogen 3.030 N/A ASP 259.A N MET 255.A O no hydrogen 2.945 N/A CYS 260.A N MET 256.A O no hydrogen 3.003 N/A CYS 260.A SG MET 256.A O no hydrogen 3.276 N/A TRP 261.A N MET 257.A O no hydrogen 3.091 N/A TRP 261.A N ARG 258.A O no hydrogen 3.224 N/A HIS 262.A N ASP 259.A O no hydrogen 3.083 N/A VAL 264.A N HIS 262.A ND1 no hydrogen 3.120 N/A GLN 267.A N VAL 264.A O no hydrogen 3.063 N/A ARG 268.A N PRO 265.A O no hydrogen 3.394 N/A ARG 268.A NE HIS 262.A O no hydrogen 2.710 N/A ARG 268.A NH1 GLU 194.A OE2 no hydrogen 2.769 N/A ARG 268.A NH1 GLN 204.A O no hydrogen 3.058 N/A ARG 268.A NH2 GLU 194.A OE1 no hydrogen 2.944 N/A ARG 268.A NH2 HIS 262.A O no hydrogen 3.104 N/A THR 270.A N GLN 273.A OE1 no hydrogen 2.802 N/A THR 270.A OG1 GLN 273.A OE1 no hydrogen 3.306 N/A GLN 273.A N THR 270.A OG1 no hydrogen 3.177 N/A LEU 274.A N THR 270.A O no hydrogen 3.078 N/A VAL 275.A N PHE 271.A O no hydrogen 2.793 N/A ASP 277.A N GLN 273.A O no hydrogen 3.095 N/A LEU 278.A N LEU 274.A O no hydrogen 3.072 N/A ASP 279.A N VAL 275.A O no hydrogen 2.984 N/A ARG 280.A N GLU 276.A O no hydrogen 3.247 N/A ARG 280.A NH1 GLU 252.A OE2 no hydrogen 2.853 N/A ARG 280.A NH2 GLU 252.A OE2 no hydrogen 2.816 N/A ILE 281.A N ASP 277.A O no hydrogen 2.850 N/A VAL 282.A N LEU 278.A O no hydrogen 3.010 N/A LEU 284.A N ILE 281.A O no hydrogen 3.116 N/A THR 285.A N ILE 281.A O no hydrogen 2.827 N/A THR 285.A N VAL 282.A O no hydrogen 2.939 N/A THR 285.A OG1 ILE 281.A O no hydrogen 2.680 N/A GLN 288.A N SER 286.A OG no hydrogen 3.251 N/A