Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bx3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.513 N/A ASP 1.A N GLN 2.A OE1 no hydrogen 2.755 N/A GLN 2.A N GLN 2.A OE1 no hydrogen 2.362 N/A GLN 2.A NE2 GLN 23.A OE1 no hydrogen 3.437 N/A SER 9.A N SER 6.A O no hydrogen 2.940 N/A SER 9.A OG SER 6.A O no hydrogen 3.330 N/A LEU 10.A N ILE 7.A O no hydrogen 2.641 N/A CYS 11.A N HIS 8.A O no hydrogen 2.722 N/A CYS 11.A SG ILE 7.A O no hydrogen 3.939 N/A CYS 11.A SG HIS 8.A O no hydrogen 2.868 N/A GLY 16.A N ASP 13.A OD2 no hydrogen 3.216 N/A CYS 17.A SG PHE 51.A O no hydrogen 3.493 N/A ARG 18.A NH2 GLN 14.A OE1 no hydrogen 3.279 N/A GLN 21.A NE2 CYS 17.A O no hydrogen 3.296 N/A LYS 22.A N ARG 18.A O no hydrogen 3.082 N/A GLN 23.A N PHE 19.A O no hydrogen 2.748 N/A LEU 24.A N GLN 21.A O no hydrogen 3.064 N/A ASP 25.A N GLN 21.A O no hydrogen 2.969 N/A LYS 30.A NZ SER 29.A OG no hydrogen 2.758 N/A ALA 31.A N GLY 28.A O no hydrogen 3.172 N/A ALA 32.A N GLY 28.A O no hydrogen 3.040 N/A ALA 34.A N ALA 31.A O no hydrogen 2.857 N/A GLU 37.A N ASP 33.A O no hydrogen 3.126 N/A GLU 38.A N ALA 34.A O no hydrogen 3.162 N/A GLU 38.A N ILE 35.A O no hydrogen 3.232 N/A THR 39.A N ILE 35.A O no hydrogen 2.811 N/A THR 39.A OG1 ILE 35.A O no hydrogen 2.478 N/A LYS 40.A N PHE 36.A O no hydrogen 2.809 N/A LYS 40.A NZ GLU 37.A OE1 no hydrogen 3.022 N/A TYR 42.A N THR 39.A O no hydrogen 2.762 N/A LEU 46.A N TYR 42.A O no hydrogen 2.831 N/A MET 47.A N THR 43.A O no hydrogen 2.843 N/A THR 48.A N VAL 44.A O no hydrogen 3.300 N/A THR 48.A OG1 VAL 44.A O no hydrogen 3.443 N/A THR 48.A OG1 GLU 45.A O no hydrogen 3.549 N/A ASP 49.A N LEU 46.A O no hydrogen 3.155 N/A SER 50.A OG HIS 87.A NE2 no hydrogen 3.417 N/A PHE 51.A N ASP 49.A OD2 no hydrogen 2.907 N/A ASN 53.A ND2 ASP 49.A O no hydrogen 2.820 N/A ILE 56.A N GLY 52.A O no hydrogen 3.033 N/A GLN 57.A N ASN 53.A O no hydrogen 2.568 N/A GLN 57.A NE2 ASN 53.A OD1 no hydrogen 3.017 N/A LYS 58.A N TYR 54.A O no hydrogen 3.047 N/A LEU 59.A N LEU 55.A O no hydrogen 2.592 N/A LEU 60.A N ILE 56.A O no hydrogen 3.109 N/A GLU 61.A N LYS 58.A O no hydrogen 3.092 N/A GLU 62.A N LYS 58.A O no hydrogen 3.304 N/A VAL 63.A N LEU 59.A O no hydrogen 2.953 N/A THR 64.A N GLN 67.A OE1 no hydrogen 2.870 N/A THR 64.A OG1 GLN 67.A OE1 no hydrogen 2.924 N/A GLN 67.A N THR 64.A OG1 no hydrogen 3.114 N/A GLN 67.A NE2 ALA 32.A O no hydrogen 3.664 N/A GLN 67.A NE2 ASP 33.A OD1 no hydrogen 3.158 N/A ARG 68.A N THR 64.A O no hydrogen 2.824 N/A ARG 68.A NE GLU 104.A OE1 no hydrogen 3.105 N/A ARG 68.A NE GLU 104.A OE2 no hydrogen 3.019 N/A ARG 68.A NH2 GLU 104.A OE1 no hydrogen 3.366 N/A ILE 69.A N THR 65.A O no hydrogen 2.920 N/A VAL 70.A N GLU 66.A O no hydrogen 3.176 N/A LEU 71.A N GLN 67.A O no hydrogen 3.177 N/A THR 72.A N ARG 68.A O no hydrogen 2.955 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.493 N/A LYS 73.A N ILE 69.A O no hydrogen 2.994 N/A ILE 74.A N VAL 70.A O no hydrogen 2.957 N/A SER 75.A N LEU 71.A O no hydrogen 2.792 N/A SER 75.A OG LEU 71.A O no hydrogen 2.951 N/A SER 75.A OG THR 72.A O no hydrogen 3.156 N/A SER 76.A N THR 72.A O no hydrogen 2.805 N/A SER 76.A OG THR 72.A O no hydrogen 2.710 N/A SER 76.A OG LYS 73.A O no hydrogen 3.049 N/A HIS 78.A N SER 75.A O no hydrogen 2.851 N/A GLU 81.A N GLU 81.A OE2 no hydrogen 3.081 N/A ILE 82.A N HIS 78.A O no hydrogen 3.027 N/A SER 83.A N PHE 79.A O no hydrogen 2.470 N/A SER 83.A OG PHE 79.A O no hydrogen 2.513 N/A LEU 84.A N VAL 80.A O no hydrogen 2.998 N/A ASN 85.A N ILE 82.A O no hydrogen 3.077 N/A HIS 87.A N ASN 85.A OD1 no hydrogen 2.616 N/A GLY 88.A N ASN 85.A OD1 no hydrogen 2.913 N/A CYS 89.A N ASN 85.A O no hydrogen 2.989 N/A CYS 89.A SG ASN 85.A O no hydrogen 3.440 N/A CYS 89.A SG PRO 86.A O no hydrogen 3.135 N/A ARG 90.A N HIS 87.A O no hydrogen 2.890 N/A ALA 91.A N HIS 87.A O no hydrogen 3.003 N/A LEU 92.A N GLY 88.A O no hydrogen 2.722 N/A GLN 93.A N CYS 89.A O no hydrogen 2.754 N/A GLN 93.A NE2 CYS 89.A O no hydrogen 3.539 N/A LYS 94.A N ARG 90.A O no hydrogen 3.446 N/A LEU 95.A N ALA 91.A O no hydrogen 2.983 N/A ILE 96.A N LEU 92.A O no hydrogen 3.314 N/A GLU 97.A N GLN 93.A O no hydrogen 2.969 N/A CYS 98.A N LYS 94.A O no hydrogen 3.051 N/A CYS 98.A N LEU 95.A O no hydrogen 3.177 N/A CYS 98.A SG LEU 60.A O no hydrogen 3.731 N/A CYS 98.A SG LYS 94.A O no hydrogen 3.519 N/A LYS 100.A N GLU 104.A OE1 no hydrogen 2.915 N/A GLU 103.A N THR 101.A OG1 no hydrogen 3.012 N/A GLU 104.A N THR 101.A OG1 no hydrogen 2.855 N/A ALA 105.A N THR 101.A O no hydrogen 3.133 N/A ILE 107.A N GLU 104.A O no hydrogen 3.305 N/A VAL 108.A N GLU 104.A O no hydrogen 3.202 N/A VAL 109.A N ALA 105.A O no hydrogen 3.037 N/A ASP 110.A N ILE 107.A O no hydrogen 3.130 N/A SER 111.A N ILE 107.A O no hydrogen 3.126 N/A SER 111.A OG ILE 107.A O no hydrogen 3.277 N/A LEU 112.A N VAL 108.A O no hydrogen 2.822 N/A ARG 113.A N VAL 109.A O no hydrogen 3.136 N/A TYR 115.A N LEU 112.A O no hydrogen 3.054 N/A THR 116.A OG1 ARG 113.A O no hydrogen 2.972 N/A LEU 119.A N TYR 115.A O no hydrogen 2.923 N/A SER 120.A N THR 116.A O no hydrogen 3.068 N/A SER 120.A N VAL 117.A O no hydrogen 2.961 N/A SER 120.A OG THR 116.A O no hydrogen 3.103 N/A LYS 121.A N VAL 117.A O no hydrogen 3.308 N/A ASN 124.A N ASP 122.A OD1 no hydrogen 2.601 N/A ASN 124.A ND2 LEU 84.A O no hydrogen 3.306 N/A GLY 125.A N ASP 122.A OD1 no hydrogen 2.846 N/A ASN 126.A N ASP 122.A O no hydrogen 3.296 N/A ASN 126.A ND2 ASP 122.A O no hydrogen 2.798 N/A ASN 126.A ND2 LEU 123.A O no hydrogen 3.251 N/A VAL 128.A N GLY 125.A O no hydrogen 3.094 N/A ILE 129.A N GLY 125.A O no hydrogen 3.246 N/A GLN 130.A N ASN 126.A O no hydrogen 2.545 N/A GLN 130.A NE2 ASN 126.A OD1 no hydrogen 3.318 N/A LYS 131.A NZ GLU 97.A OE2 no hydrogen 2.596 N/A CYS 132.A N VAL 128.A O no hydrogen 3.004 N/A CYS 132.A SG VAL 128.A O no hydrogen 3.389 N/A LEU 133.A N GLN 130.A O no hydrogen 3.078 N/A GLN 134.A N GLN 130.A O no hydrogen 3.166 N/A ARG 135.A N LYS 131.A O no hydrogen 2.957 N/A LEU 136.A N CYS 132.A O no hydrogen 3.177 N/A LYS 137.A NZ ASP 102.A OD1 no hydrogen 3.169 N/A LYS 137.A NZ ASP 102.A OD2 no hydrogen 3.209 N/A ASN 140.A N LYS 137.A O no hydrogen 2.794 N/A PHE 141.A N LYS 137.A O no hydrogen 2.968 N/A GLN 142.A N PRO 138.A O no hydrogen 3.168 N/A ILE 144.A N PHE 141.A O no hydrogen 2.957 N/A ASP 146.A N GLN 142.A O no hydrogen 3.113 N/A ALA 147.A N PHE 143.A O no hydrogen 2.800 N/A ILE 148.A N ILE 144.A O no hydrogen 2.822 N/A SER 149.A N PHE 145.A O no hydrogen 2.909 N/A SER 149.A OG PHE 145.A O no hydrogen 3.164 N/A SER 151.A OG ALA 147.A O no hydrogen 3.563 N/A ASP 154.A N ASP 154.A OD1 no hydrogen 2.332 N/A ILE 155.A N SER 151.A O no hydrogen 3.343 N/A ALA 156.A N CYS 152.A O no hydrogen 3.029 N/A THR 157.A N ILE 153.A O no hydrogen 2.957 N/A THR 157.A OG1 ILE 153.A O no hydrogen 2.684 N/A HIS 160.A N HIS 158.A ND1 no hydrogen 2.993 N/A GLY 161.A N HIS 158.A ND1 no hydrogen 3.199 N/A CYS 162.A N HIS 158.A O no hydrogen 3.018 N/A CYS 162.A SG HIS 158.A O no hydrogen 3.659 N/A CYS 162.A SG ARG 159.A O no hydrogen 3.874 N/A ARG 163.A NE GLN 166.A OE1 no hydrogen 3.459 N/A ARG 163.A NH2 GLN 166.A OE1 no hydrogen 2.937 N/A LEU 165.A N GLY 161.A O no hydrogen 3.466 N/A GLN 166.A N CYS 162.A O no hydrogen 3.229 N/A ARG 167.A N ARG 163.A O no hydrogen 3.047 N/A ARG 167.A NE GLN 130.A OE1 no hydrogen 2.595 N/A ARG 167.A NH2 GLN 130.A OE1 no hydrogen 2.917 N/A CYS 168.A N VAL 164.A O no hydrogen 2.848 N/A CYS 168.A SG VAL 164.A O no hydrogen 3.427 N/A LEU 169.A N LEU 165.A O no hydrogen 3.190 N/A ASP 170.A N GLN 166.A O no hydrogen 2.981 N/A HIS 171.A N CYS 168.A O no hydrogen 3.159 N/A GLY 172.A N CYS 168.A O no hydrogen 2.727 N/A THR 173.A OG1 GLN 176.A OE1 no hydrogen 3.344 N/A GLN 176.A NE2 PRO 138.A O no hydrogen 3.348 N/A GLN 176.A NE2 GLN 142.A OE1 no hydrogen 2.549 N/A CYS 177.A N THR 173.A O no hydrogen 2.496 N/A CYS 177.A SG CYS 168.A O no hydrogen 3.830 N/A CYS 177.A SG LEU 169.A O no hydrogen 4.023 N/A ASN 179.A N GLU 175.A O no hydrogen 3.314 N/A LEU 180.A N GLN 176.A O no hydrogen 3.347 N/A CYS 181.A N CYS 177.A O no hydrogen 3.234 N/A CYS 181.A SG CYS 177.A O no hydrogen 3.225 N/A ASP 182.A N ASP 178.A O no hydrogen 3.058 N/A LYS 183.A N LEU 180.A O no hydrogen 2.826 N/A LYS 183.A NZ SER 149.A O no hydrogen 3.409 N/A LEU 184.A N LEU 180.A O no hydrogen 2.867 N/A LEU 185.A N CYS 181.A O no hydrogen 2.897 N/A ALA 186.A N LYS 183.A O no hydrogen 3.439 N/A LEU 187.A N LEU 184.A O no hydrogen 3.206 N/A LEU 191.A N LEU 187.A O no hydrogen 2.659 N/A THR 192.A N VAL 188.A O no hydrogen 2.871 N/A THR 192.A OG1 VAL 188.A O no hydrogen 2.382 N/A LEU 193.A N ASP 189.A O no hydrogen 3.432 N/A ASP 194.A N LYS 190.A O no hydrogen 3.049 N/A PHE 196.A N ASP 194.A OD1 no hydrogen 2.631 N/A GLY 197.A N ASP 194.A OD1 no hydrogen 2.648 N/A ASN 198.A N ASP 194.A O no hydrogen 3.329 N/A ASN 198.A ND2 ASP 194.A O no hydrogen 2.647 N/A TYR 199.A N PHE 196.A O no hydrogen 2.853 N/A VAL 201.A N GLY 197.A O no hydrogen 3.048 N/A GLN 202.A NE2 ASN 198.A O no hydrogen 3.260 N/A GLN 202.A NE2 ASN 198.A OD1 no hydrogen 3.422 N/A TYR 203.A N TYR 199.A O no hydrogen 3.066 N/A TYR 203.A OH ASP 170.A OD1 no hydrogen 3.040 N/A TYR 203.A OH ASP 170.A OD2 no hydrogen 3.287 N/A ILE 204.A N VAL 200.A O no hydrogen 3.110 N/A THR 206.A N GLN 202.A O no hydrogen 2.803 N/A THR 206.A OG1 GLN 202.A O no hydrogen 2.880 N/A LYS 207.A N TYR 203.A O no hydrogen 2.707 N/A LYS 207.A N ILE 204.A O no hydrogen 3.113 N/A GLU 208.A N ILE 204.A O no hydrogen 2.997 N/A ALA 209.A N ILE 205.A O no hydrogen 3.221 N/A GLU 210.A N LYS 207.A O no hydrogen 2.853 N/A LYS 211.A N LYS 207.A O no hydrogen 3.162 N/A ASN 212.A ND2 TYR 214.A OH no hydrogen 3.461 N/A LYS 213.A N GLU 208.A O no hydrogen 3.287 N/A ASP 215.A N GLU 208.A OE1 no hydrogen 2.836 N/A TYR 216.A N GLU 208.A OE1 no hydrogen 3.323 N/A TYR 216.A N GLU 208.A OE2 no hydrogen 2.944 N/A TYR 216.A OH ASP 182.A OD1 no hydrogen 2.379 N/A THR 217.A N GLU 208.A OE1 no hydrogen 3.318 N/A THR 217.A OG1 GLU 208.A OE1 no hydrogen 3.118 N/A ILE 220.A N TYR 216.A O no hydrogen 2.600 N/A VAL 221.A N THR 217.A O no hydrogen 3.050 N/A HIS 222.A N HIS 218.A O no hydrogen 2.853 N/A LEU 223.A N ILE 220.A O no hydrogen 3.224 N/A LEU 224.A N ILE 220.A O no hydrogen 3.000 N/A LYS 225.A N VAL 221.A O no hydrogen 2.871 N/A ARG 227.A N LEU 224.A O no hydrogen 2.611 N/A ALA 228.A N LYS 225.A O no hydrogen 2.602 N/A LEU 231.A N ARG 227.A O no hydrogen 3.260 N/A SER 232.A N ALA 228.A O no hydrogen 3.120 N/A SER 232.A N ILE 229.A O no hydrogen 2.905 N/A SER 232.A OG ALA 228.A O no hydrogen 2.627 N/A ILE 233.A N ILE 229.A O no hydrogen 3.384 N/A LYS 235.A NZ TYR 275.A OH no hydrogen 3.238 N/A PHE 236.A N HIS 234.A ND1 no hydrogen 2.918 N/A GLY 237.A N HIS 234.A ND1 no hydrogen 3.131 N/A SER 238.A N HIS 234.A O no hydrogen 2.876 N/A SER 238.A OG HIS 234.A O no hydrogen 3.058 N/A SER 238.A OG LYS 235.A O no hydrogen 3.408 N/A ASN 239.A N PHE 236.A O no hydrogen 2.710 N/A ILE 241.A N GLY 237.A O no hydrogen 3.125 N/A LYS 243.A N ASN 239.A O no hydrogen 3.068 N/A ILE 244.A N VAL 240.A O no hydrogen 2.971 N/A LEU 245.A N ILE 241.A O no hydrogen 3.116 N/A LYS 246.A N GLU 242.A O no hydrogen 3.043 N/A THR 247.A N ILE 244.A O no hydrogen 2.925 N/A VAL 250.A N THR 247.A O no hydrogen 2.808 N/A SER 251.A N THR 247.A O no hydrogen 3.076 N/A SER 251.A OG LEU 245.A O no hydrogen 2.989 N/A SER 251.A OG THR 247.A O no hydrogen 3.305 N/A MET 254.A N VAL 250.A O no hydrogen 3.325 N/A MET 254.A N SER 251.A O no hydrogen 2.701 N/A ILE 255.A N SER 251.A O no hydrogen 2.917 N/A LEU 256.A N GLU 252.A O no hydrogen 2.778 N/A GLU 257.A N MET 254.A O no hydrogen 2.801 N/A ILE 258.A N MET 254.A O no hydrogen 3.158 N/A LEU 259.A N ILE 255.A O no hydrogen 3.029 N/A ASN 260.A N LEU 256.A O no hydrogen 2.905 N/A ASN 261.A N GLU 257.A O no hydrogen 2.648 N/A ASN 261.A ND2 GLU 257.A OE2 no hydrogen 3.256 N/A GLY 262.A N GLU 257.A O no hydrogen 3.151 N/A GLN 268.A N THR 265.A O no hydrogen 2.444 N/A SER 269.A N THR 265.A O no hydrogen 3.107 N/A SER 269.A OG THR 265.A O no hydrogen 3.265 N/A SER 269.A OG GLY 266.A O no hydrogen 3.507 N/A LEU 270.A N GLY 266.A O no hydrogen 3.181 N/A LEU 271.A N ILE 267.A O no hydrogen 3.084 N/A ASN 272.A N GLN 268.A O no hydrogen 3.115 N/A ASP 273.A N SER 269.A O no hydrogen 3.214 N/A SER 274.A OG ASP 273.A OD1 no hydrogen 3.366 N/A TYR 275.A N ASP 273.A OD2 no hydrogen 3.219 N/A GLY 276.A N ASP 273.A OD2 no hydrogen 3.390 N/A ASN 277.A N ASP 273.A O no hydrogen 3.162 N/A TYR 278.A N TYR 275.A O no hydrogen 2.811 N/A LEU 280.A N GLY 276.A O no hydrogen 2.885 N/A GLN 281.A N ASN 277.A O no hydrogen 3.113 N/A THR 282.A N TYR 278.A O no hydrogen 2.805 N/A THR 282.A OG1 GLU 242.A OE1 no hydrogen 3.091 N/A THR 282.A OG1 TYR 278.A O no hydrogen 3.319 N/A ALA 283.A N VAL 279.A O no hydrogen 2.728 N/A LEU 284.A N LEU 280.A O no hydrogen 3.107 N/A ASP 285.A N GLN 281.A O no hydrogen 3.006 N/A ILE 286.A N THR 282.A O no hydrogen 2.858 N/A SER 287.A N ALA 283.A O no hydrogen 3.140 N/A SER 287.A OG ALA 283.A O no hydrogen 2.789 N/A SER 287.A OG LEU 284.A O no hydrogen 3.326 N/A HIS 288.A N LEU 284.A O no hydrogen 3.173 N/A LYS 289.A NZ ASP 285.A OD1 no hydrogen 2.802 N/A GLN 290.A N ILE 286.A O no hydrogen 2.686 N/A GLN 290.A NE2 ALA 248.A O no hydrogen 3.392 N/A ASN 291.A N SER 287.A O no hydrogen 2.541 N/A ASN 291.A ND2 GLU 252.A OE2 no hydrogen 3.542 N/A TYR 293.A N ASN 291.A OD1 no hydrogen 2.642 N/A LEU 294.A N ASN 291.A OD1 no hydrogen 2.807 N/A TYR 295.A N ASN 291.A O no hydrogen 3.284 N/A TYR 295.A OH MET 322.A O no hydrogen 2.703 N/A TYR 295.A OH LEU 323.A O no hydrogen 2.821 N/A ARG 297.A N TYR 293.A O no hydrogen 2.789 N/A LEU 298.A N LEU 294.A O no hydrogen 3.048 N/A LEU 298.A N TYR 295.A O no hydrogen 2.965 N/A SER 299.A N TYR 295.A O no hydrogen 2.534 N/A SER 299.A OG LEU 323.A O no hydrogen 3.347 N/A ILE 301.A N LEU 298.A O no hydrogen 2.919 N/A VAL 302.A N LEU 298.A O no hydrogen 3.297 N/A LEU 305.A N VAL 302.A O no hydrogen 2.802 N/A ASN 312.A N PRO 309.A O no hydrogen 2.866 N/A ASN 312.A ND2 PRO 309.A O no hydrogen 3.373 N/A THR 313.A OG1 ILE 310.A O no hydrogen 3.375 N/A GLY 316.A N THR 313.A OG1 no hydrogen 3.010 N/A LYS 317.A N THR 313.A O no hydrogen 3.104 N/A ARG 318.A N PRO 314.A O no hydrogen 3.341 N/A ILE 319.A N HIS 315.A O no hydrogen 2.975 N/A ILE 320.A N GLY 316.A O no hydrogen 3.127 N/A MET 322.A N ARG 318.A O no hydrogen 3.392 N/A LEU 323.A N ILE 320.A O no hydrogen 3.106 N/A LEU 325.A N TYR 295.A OH no hydrogen 3.359 N/A