Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x53_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLN 97.A O no hydrogen 2.822 N/A TYR 5.A N THR 22.A OG1 no hydrogen 2.459 N/A LYS 6.A N GLU 95.A O no hydrogen 3.307 N/A LYS 6.A NZ GLN 4.A OE1 no hydrogen 3.139 N/A ILE 7.A N TRP 19.A O no hydrogen 2.943 N/A HIS 8.A N THR 93.A O no hydrogen 2.808 N/A HIS 8.A ND1 ASP 16.A OD2 no hydrogen 3.119 N/A HIS 8.A NE2 GLU 95.A OE1 no hydrogen 3.134 N/A THR 9.A N LYS 17.A O no hydrogen 3.222 N/A THR 9.A OG1 ASP 15.A O no hydrogen 3.366 N/A THR 9.A OG1 LYS 17.A O no hydrogen 3.414 N/A ASN 10.A N ASP 16.A OD1 no hydrogen 3.138 N/A ASN 10.A ND2 ASP 15.A OD1 no hydrogen 3.397 N/A GLY 13.A N ASN 10.A O no hydrogen 3.115 N/A LYS 17.A N THR 9.A OG1 no hydrogen 2.903 N/A LYS 17.A NZ ASP 85.A OD1 no hydrogen 2.850 N/A TRP 19.A N ILE 7.A O no hydrogen 2.820 N/A TRP 19.A NE1 ASP 85.A OD1 no hydrogen 3.119 N/A VAL 21.A N TYR 5.A O no hydrogen 3.266 N/A THR 22.A N ASP 20.A OD1 no hydrogen 3.323 N/A THR 22.A OG1 TYR 5.A O no hydrogen 3.240 N/A ASN 23.A N ASP 20.A OD1 no hydrogen 2.906 N/A GLY 24.A N ASP 20.A O no hydrogen 2.772 N/A LYS 25.A NZ GLU 70.A OE2 no hydrogen 3.224 N/A LYS 25.A NZ GLU 74.A OE2 no hydrogen 3.418 N/A ARG 27.A N GLU 66.A O no hydrogen 2.694 N/A ARG 27.A NE GLY 24.A O no hydrogen 3.061 N/A ARG 27.A NH1 TYR 29.A OH no hydrogen 3.096 N/A PHE 28.A N VAL 21.A O no hydrogen 2.801 N/A TYR 29.A N LYS 64.A O no hydrogen 3.000 N/A SER 32.A N GLU 62.A O no hydrogen 3.046 N/A SER 32.A OG GLN 60.A O no hydrogen 3.247 N/A GLY 35.A N ASN 33.A OD1 no hydrogen 3.312 N/A GLN 37.A N THR 57.A O no hydrogen 3.078 N/A SER 38.A OG ASN 40.A OD1 no hydrogen 3.505 N/A THR 39.A N SER 55.A O no hydrogen 3.157 N/A TRP 43.A N VAL 50.A O no hydrogen 3.120 N/A SER 45.A N ILE 48.A O no hydrogen 2.924 N/A ILE 48.A N SER 45.A O no hydrogen 2.951 N/A VAL 50.A N TRP 43.A O no hydrogen 3.100 N/A GLY 52.A N ASN 41.A O no hydrogen 3.350 N/A ARG 54.A NH2 ASN 40.A OD1 no hydrogen 3.256 N/A SER 55.A N THR 39.A O no hydrogen 3.097 N/A SER 55.A OG THR 39.A O no hydrogen 3.275 N/A THR 57.A N GLN 37.A O no hydrogen 2.730 N/A THR 57.A OG1 SER 55.A O no hydrogen 3.378 N/A GLN 58.A NE2 ASP 296.A O no hydrogen 3.284 N/A GLN 60.A NE2 ASP 131.A OD1 no hydrogen 2.758 N/A ILE 61.A N PHE 130.A O no hydrogen 3.209 N/A GLU 62.A N SER 32.A OG no hydrogen 2.938 N/A PHE 63.A N ILE 128.A O no hydrogen 2.788 N/A LYS 64.A N TYR 29.A O no hydrogen 2.708 N/A LEU 65.A N GLU 126.A O no hydrogen 2.626 N/A GLU 66.A N ARG 27.A O no hydrogen 2.784 N/A THR 67.A N PHE 124.A O no hydrogen 3.113 N/A THR 67.A OG1 ASN 75.A OD1 no hydrogen 2.822 N/A PHE 68.A N LYS 25.A O no hydrogen 2.704 N/A GLY 69.A N ASN 75.A OD1 no hydrogen 2.943 N/A GLU 70.A N GLU 74.A OE1 no hydrogen 2.736 N/A GLU 74.A N SER 71.A OG no hydrogen 3.261 N/A ASN 75.A N SER 71.A O no hydrogen 3.258 N/A ASN 75.A ND2 SER 71.A O no hydrogen 2.783 N/A ASN 75.A ND2 ASN 121.A O no hydrogen 2.805 N/A TYR 76.A N LEU 72.A O no hydrogen 3.162 N/A TYR 76.A OH TYR 118.A OH no hydrogen 2.952 N/A GLN 77.A N GLU 73.A O no hydrogen 3.071 N/A GLN 77.A NE2 GLN 77.A O no hydrogen 3.247 N/A GLN 77.A NE2 ASP 81.A OD1 no hydrogen 2.741 N/A LEU 78.A N GLU 74.A O no hydrogen 2.937 N/A MET 79.A N ASN 75.A O no hydrogen 3.234 N/A LYS 80.A N TYR 76.A O no hydrogen 3.147 N/A ASP 81.A N GLN 77.A O no hydrogen 3.279 N/A PHE 82.A N LEU 78.A O no hydrogen 2.764 N/A VAL 83.A N MET 79.A O no hydrogen 3.232 N/A ASN 84.A N LYS 80.A O no hydrogen 3.334 N/A ASP 85.A N ASP 81.A O no hydrogen 3.040 N/A ILE 86.A N PHE 82.A O no hydrogen 3.388 N/A LEU 87.A N VAL 83.A O no hydrogen 3.098 N/A SER 88.A N ASN 84.A O no hydrogen 2.776 N/A SER 88.A OG ASN 84.A O no hydrogen 3.566 N/A SER 88.A OG ASP 85.A O no hydrogen 2.726 N/A VAL 92.A N LEU 107.A O no hydrogen 2.800 N/A THR 93.A N HIS 8.A O no hydrogen 3.021 N/A THR 93.A OG1 ASP 106.A OD1 no hydrogen 3.000 N/A LEU 94.A N ALA 105.A O no hydrogen 2.840 N/A TYR 96.A N VAL 103.A O no hydrogen 2.728 N/A GLN 97.A N GLN 4.A O no hydrogen 2.894 N/A THR 98.A N PHE 101.A O no hydrogen 2.855 N/A THR 98.A OG1 PHE 101.A O no hydrogen 3.327 N/A PHE 101.A N THR 98.A OG1 no hydrogen 3.349 N/A VAL 103.A N TYR 96.A O no hydrogen 2.885 N/A TYR 104.A N TYR 137.A O no hydrogen 3.031 N/A ALA 105.A N LEU 94.A O no hydrogen 3.248 N/A ASP 106.A N THR 134.A O no hydrogen 2.898 N/A LEU 107.A N VAL 92.A O no hydrogen 2.727 N/A ALA 108.A N ASP 131.A O no hydrogen 3.031 N/A ALA 110.A N THR 129.A O no hydrogen 2.997 N/A ASP 111.A N THR 129.A O no hydrogen 3.146 N/A THR 113.A OG1 GLU 126.A OE2 no hydrogen 3.475 N/A THR 113.A OG1 LYS 127.A O no hydrogen 3.140 N/A THR 115.A OG1 GLU 126.A OE1 no hydrogen 2.971 N/A THR 115.A OG1 GLU 126.A OE2 no hydrogen 3.043 N/A TYR 118.A OH TYR 76.A OH no hydrogen 2.952 N/A THR 123.A N LYS 120.A O no hydrogen 3.348 N/A THR 123.A OG1 LYS 120.A O no hydrogen 3.274 N/A PHE 124.A N THR 67.A OG1 no hydrogen 3.012 N/A SER 125.A OG GLU 66.A OE2 no hydrogen 3.087 N/A GLU 126.A N LEU 65.A O no hydrogen 2.820 N/A LYS 127.A N THR 113.A OG1 no hydrogen 2.997 N/A ILE 128.A N PHE 63.A O no hydrogen 2.891 N/A THR 129.A N ASP 111.A O no hydrogen 2.638 N/A PHE 130.A N ILE 61.A O no hydrogen 2.877 N/A ASP 131.A N ALA 108.A O no hydrogen 2.769 N/A ILE 133.A N ASP 106.A O no hydrogen 2.878 N/A LYS 135.A NZ GLY 35.A O no hydrogen 2.794 N/A TYR 137.A N TYR 104.A O no hydrogen 2.794 N/A TYR 137.A OH ASP 106.A OD1 no hydrogen 3.208 N/A THR 138.A N ARG 293.A O no hydrogen 2.755 N/A THR 138.A OG1 ARG 293.A O no hydrogen 3.393 N/A GLU 140.A N ILE 291.A O no hydrogen 2.909 N/A LEU 142.A N PHE 289.A O no hydrogen 2.913 N/A ASP 145.A N ARG 189.A O no hydrogen 2.727 N/A LYS 146.A NZ ASP 185.A O no hydrogen 2.781 N/A LYS 146.A NZ LEU 187.A O no hydrogen 2.735 N/A ASN 149.A ND2 GLU 181.A O no hydrogen 3.255 N/A ILE 153.A N SER 157.A OG no hydrogen 3.121 N/A SER 157.A N ILE 153.A O no hydrogen 2.986 N/A SER 157.A OG ILE 153.A O no hydrogen 3.320 N/A LYS 158.A NZ TYR 176.A OH no hydrogen 3.532 N/A GLY 166.A N THR 163.A O no hydrogen 3.189 N/A ASN 167.A N GLY 161.A O no hydrogen 3.112 N/A TYR 168.A OH TYR 170.A OH no hydrogen 3.284 N/A TYR 170.A OH TYR 168.A OH no hydrogen 3.284 N/A THR 177.A N MET 156.A O no hydrogen 2.786 N/A THR 177.A OG1 MET 156.A O no hydrogen 3.143 N/A GLU 181.A N ASN 149.A OD1 no hydrogen 2.789 N/A ARG 186.A N ASP 183.A O no hydrogen 3.298 N/A ARG 186.A NE ASP 183.A O no hydrogen 3.018 N/A ARG 186.A NH2 GLU 181.A OE1 no hydrogen 2.696 N/A ARG 189.A N ASP 145.A O no hydrogen 3.198 N/A ARG 189.A NH2 GLY 277.A O no hydrogen 3.401 N/A ILE 192.A N GLY 277.A O no hydrogen 2.960 N/A LYS 193.A NZ ASP 191.A OD2 no hydrogen 2.760 N/A ILE 196.A N ILE 274.A O no hydrogen 3.063 N/A MET 200.A N LYS 290.A O no hydrogen 3.050 N/A GLY 201.A N ILE 240.A O no hydrogen 3.032 N/A ILE 202.A N GLU 288.A O no hydrogen 2.859 N/A LEU 203.A N ILE 238.A O no hydrogen 2.731 N/A TYR 204.A N LYS 286.A O no hydrogen 3.135 N/A TYR 204.A OH GLU 288.A OE1 no hydrogen 3.016 N/A LYS 206.A N ASN 283.A O no hydrogen 3.104 N/A LEU 207.A N ASN 283.A OD1 no hydrogen 2.776 N/A LYS 209.A NZ GLU 232.A O no hydrogen 2.803 N/A ALA 212.A N PHE 229.A O no hydrogen 2.772 N/A GLY 213.A N ILE 282.A O no hydrogen 3.046 N/A ARG 215.A N GLU 280.A O no hydrogen 2.974 N/A ARG 215.A NE GLU 280.A OE2 no hydrogen 3.101 N/A ARG 215.A NH1 GLU 223.A OE1 no hydrogen 2.906 N/A ARG 215.A NH2 GLU 280.A OE2 no hydrogen 3.063 N/A PHE 216.A N THR 225.A O no hydrogen 2.924 N/A LEU 217.A N GLN 278.A O no hydrogen 2.734 N/A ASP 218.A N ASN 222.A O no hydrogen 2.958 N/A ILE 220.A N ASP 218.A OD2 no hydrogen 3.305 N/A GLY 221.A N ASP 218.A O no hydrogen 3.225 N/A ASN 222.A N ASP 218.A OD2 no hydrogen 2.757 N/A TYR 224.A N PHE 216.A O no hydrogen 3.462 N/A TYR 224.A OH GLU 275.A O no hydrogen 2.882 N/A THR 225.A OG1 THR 271.A O no hydrogen 2.861 N/A ALA 226.A N ARG 268.A O no hydrogen 3.079 N/A ILE 227.A N VAL 214.A O no hydrogen 2.902 N/A PHE 229.A N ALA 212.A O no hydrogen 3.055 N/A THR 231.A OG1 GLN 233.A O no hydrogen 3.232 N/A GLN 235.A NE2 GLN 233.A O no hydrogen 3.244 N/A ASP 236.A N TRP 252.A O no hydrogen 2.894 N/A TYR 237.A N TRP 252.A O no hydrogen 3.339 N/A ILE 238.A N LEU 203.A O no hydrogen 2.637 N/A LEU 239.A N GLN 250.A O no hydrogen 2.843 N/A ILE 240.A N GLY 201.A O no hydrogen 3.013 N/A ASN 241.A N THR 248.A O no hydrogen 2.743 N/A THR 242.A N PHE 199.A O no hydrogen 3.081 N/A ASP 243.A N ASN 241.A OD1 no hydrogen 2.702 N/A ASP 246.A N ASP 243.A OD2 no hydrogen 3.402 N/A THR 248.A N ASN 241.A O no hydrogen 3.417 N/A TYR 249.A OH GLU 247.A OE1 no hydrogen 2.430 N/A TYR 249.A OH TYR 269.A OH no hydrogen 3.144 N/A GLN 250.A N LEU 239.A O no hydrogen 3.017 N/A GLY 251.A N LEU 258.A O no hydrogen 2.780 N/A TRP 252.A N TYR 237.A O no hydrogen 2.911 N/A LYS 253.A N THR 256.A O no hydrogen 3.079 N/A LYS 253.A NZ VAL 234.A O no hydrogen 2.784 N/A GLY 254.A N ASP 236.A OD2 no hydrogen 2.638 N/A THR 256.A N LYS 253.A O no hydrogen 3.065 N/A LEU 258.A N GLY 251.A O no hydrogen 3.155 N/A LEU 260.A N TYR 249.A O no hydrogen 2.735 N/A PHE 261.A N ASN 259.A OD1 no hydrogen 3.386 N/A ASP 265.A N VAL 228.A O no hydrogen 2.914 N/A GLU 267.A N ASP 265.A OD2 no hydrogen 3.118 N/A ARG 268.A N ASP 265.A OD2 no hydrogen 3.164 N/A ARG 268.A NE GLU 223.A OE2 no hydrogen 3.284 N/A ARG 268.A NH1 GLU 223.A OE1 no hydrogen 2.634 N/A ARG 268.A NH1 GLU 223.A OE2 no hydrogen 3.381 N/A TYR 269.A OH TYR 249.A OH no hydrogen 3.144 N/A ARG 270.A NH1 GLU 267.A O no hydrogen 2.788 N/A ARG 270.A NH1 GLU 267.A OE1 no hydrogen 3.546 N/A THR 271.A N THR 225.A OG1 no hydrogen 3.375 N/A ARG 272.A NH2 GLU 247.A OE1 no hydrogen 2.882 N/A ILE 274.A N ILE 196.A O no hydrogen 2.912 N/A GLU 275.A N TYR 224.A OH no hydrogen 2.865 N/A LYS 276.A NZ GLU 194.A OE1 no hydrogen 3.264 N/A GLY 277.A N ILE 192.A O no hydrogen 3.158 N/A GLN 278.A N LEU 217.A O no hydrogen 3.004 N/A MET 279.A N TRP 190.A O no hydrogen 3.084 N/A GLU 280.A N ARG 215.A O no hydrogen 2.947 N/A ILE 282.A N GLY 213.A O no hydrogen 3.008 N/A ASN 283.A ND2 LEU 207.A O no hydrogen 2.574 N/A ASN 283.A ND2 THR 210.A O no hydrogen 3.232 N/A SER 285.A N TYR 204.A O no hydrogen 2.916 N/A SER 285.A OG TYR 204.A O no hydrogen 3.173 N/A LYS 286.A NZ GLU 288.A OE1 no hydrogen 3.403 N/A GLU 288.A N ILE 202.A O no hydrogen 3.256 N/A ILE 291.A N GLU 140.A O no hydrogen 2.693 N/A LYS 292.A N SER 198.A O no hydrogen 3.324 N/A LYS 292.A NZ ASP 12.A OD1 no hydrogen 3.382 N/A ARG 293.A N THR 138.A O no hydrogen 3.087 N/A LYS 294.A NZ ASP 296.A OD1 no hydrogen 3.329 N/A LYS 294.A NZ ASP 296.A OD2 no hydrogen 3.159 N/A ALA 295.A N TRP 136.A O no hydrogen 2.748 N/A