Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2puw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLN 7.A OE1 no hydrogen 3.104 N/A MET 6.A N ASP 340.A OD1 no hydrogen 3.161 N/A GLN 7.A NE2 GLU 205.A OE2 no hydrogen 3.319 N/A LYS 8.A N HIS 4.A O no hydrogen 3.100 N/A GLU 9.A N PHE 5.A O no hydrogen 3.086 N/A ILE 10.A N MET 6.A O no hydrogen 3.212 N/A GLN 13.A N ILE 10.A O no hydrogen 3.024 N/A GLN 13.A NE2 ILE 10.A O no hydrogen 2.602 N/A GLN 13.A NE2 GLN 325.A OE1 no hydrogen 3.683 N/A ASP 15.A N GLU 12.A O no hydrogen 2.792 N/A SER 16.A N GLU 12.A O no hydrogen 2.757 N/A SER 16.A OG GLN 13.A O no hydrogen 3.284 N/A ALA 17.A N GLN 13.A O no hydrogen 2.936 N/A ASN 19.A N ASP 15.A O no hydrogen 3.109 N/A THR 20.A N SER 16.A O no hydrogen 3.131 N/A THR 20.A N ALA 17.A O no hydrogen 3.170 N/A THR 20.A OG1 SER 16.A O no hydrogen 2.761 N/A THR 20.A OG1 ILE 145.A O no hydrogen 3.297 N/A THR 20.A OG1 SER 161.A OG no hydrogen 3.086 N/A MET 21.A N ALA 17.A O no hydrogen 3.414 N/A ARG 22.A N PHE 18.A O no hydrogen 2.644 N/A ARG 24.A N MET 21.A O no hydrogen 2.733 N/A ARG 24.A NH1 ASN 19.A O no hydrogen 3.344 N/A ARG 24.A NH2 ILE 145.A O no hydrogen 3.283 N/A ILE 25.A N MET 21.A O no hydrogen 3.065 N/A ASP 26.A N VAL 31.A O no hydrogen 2.914 N/A ASN 29.A N ASP 26.A OD2 no hydrogen 2.800 N/A THR 33.A N ARG 24.A O no hydrogen 2.543 N/A LYS 38.A N GLY 35.A O no hydrogen 2.778 N/A TRP 40.A N LEU 37.A O no hydrogen 2.443 N/A ILE 44.A N TRP 40.A O no hydrogen 2.998 N/A ARG 45.A N LEU 41.A O no hydrogen 2.873 N/A ARG 46.A N THR 43.A O no hydrogen 3.123 N/A CYS 47.A SG ILE 44.A O no hydrogen 3.335 N/A CYS 47.A SG ARG 49.A O no hydrogen 3.336 N/A CYS 47.A SG THR 97.A OG1 no hydrogen 3.312 N/A ARG 48.A NH2 ASP 95.A OD2 no hydrogen 2.653 N/A ARG 49.A NE ASP 96.A OD1 no hydrogen 3.319 N/A ARG 49.A NH2 PRO 91.A O no hydrogen 3.289 N/A ARG 49.A NH2 ASP 96.A OD2 no hydrogen 3.152 N/A ILE 50.A N PRO 76.A O no hydrogen 2.845 N/A ILE 51.A N THR 97.A O no hydrogen 3.024 N/A MET 52.A N SER 78.A O no hydrogen 2.698 N/A ILE 53.A N VAL 99.A O no hydrogen 2.938 N/A ALA 54.A N GLU 80.A O no hydrogen 3.268 N/A THR 57.A OG1 GLU 233.A OE1 no hydrogen 3.545 N/A THR 57.A OG1 GLU 233.A OE2 no hydrogen 2.718 N/A SER 58.A OG GLN 162.A OE1 no hydrogen 3.517 N/A TYR 59.A N CYS 55.A O no hydrogen 2.817 N/A TYR 59.A N GLY 56.A O no hydrogen 3.184 N/A HIS 60.A N THR 57.A O no hydrogen 2.764 N/A HIS 60.A ND1 GLU 233.A OE1 no hydrogen 2.354 N/A SER 61.A N THR 57.A O no hydrogen 3.056 N/A SER 61.A OG THR 57.A O no hydrogen 3.390 N/A SER 61.A OG SER 58.A O no hydrogen 3.142 N/A SER 61.A OG GLN 162.A OE1 no hydrogen 2.811 N/A CYS 62.A N SER 58.A O no hydrogen 3.355 N/A CYS 62.A SG SER 58.A O no hydrogen 3.177 N/A LEU 63.A N TYR 59.A O no hydrogen 2.977 N/A ALA 64.A N HIS 60.A O no hydrogen 2.888 N/A THR 65.A N SER 61.A O no hydrogen 3.199 N/A THR 65.A OG1 SER 61.A O no hydrogen 2.858 N/A THR 65.A OG1 CYS 62.A O no hydrogen 3.176 N/A ARG 66.A N CYS 62.A O no hydrogen 2.961 N/A ARG 66.A N LEU 63.A O no hydrogen 3.048 N/A ARG 66.A NE GLU 70.A OE2 no hydrogen 2.913 N/A SER 67.A OG ALA 64.A O no hydrogen 3.451 N/A ILE 68.A N THR 65.A O no hydrogen 2.668 N/A PHE 69.A N THR 65.A O no hydrogen 2.791 N/A GLU 70.A N ARG 66.A O no hydrogen 3.487 N/A GLU 71.A N SER 67.A O no hydrogen 3.241 N/A LEU 72.A N ILE 68.A O no hydrogen 2.959 N/A THR 73.A N PHE 69.A O no hydrogen 2.804 N/A THR 73.A OG1 PHE 69.A O no hydrogen 2.639 N/A GLU 74.A N GLU 70.A O no hydrogen 2.592 N/A ILE 75.A N THR 73.A OG1 no hydrogen 3.142 N/A SER 78.A N ILE 50.A O no hydrogen 2.687 N/A SER 78.A OG ILE 50.A O no hydrogen 3.442 N/A GLU 80.A N MET 52.A O no hydrogen 2.640 N/A ALA 82.A N ALA 54.A O no hydrogen 2.748 N/A PHE 85.A N LEU 81.A O no hydrogen 2.778 N/A LEU 86.A N ALA 82.A O no hydrogen 3.361 N/A ASP 87.A N SER 83.A O no hydrogen 3.382 N/A ARG 88.A N ASP 84.A O no hydrogen 3.105 N/A ARG 88.A N PHE 85.A O no hydrogen 3.260 N/A ARG 88.A NH1 GLU 80.A OE1 no hydrogen 3.195 N/A ARG 88.A NH2 GLU 80.A OE1 no hydrogen 3.268 N/A ARG 89.A N LEU 86.A O no hydrogen 3.000 N/A PHE 93.A N ASP 96.A OD2 no hydrogen 2.599 N/A ASP 96.A N PHE 93.A O no hydrogen 3.077 N/A THR 97.A N ARG 49.A O no hydrogen 3.214 N/A CYS 98.A N LEU 123.A O no hydrogen 2.955 N/A PHE 100.A N VAL 125.A O no hydrogen 2.616 N/A VAL 101.A N ILE 53.A O no hydrogen 3.239 N/A SER 102.A N ILE 127.A O no hydrogen 2.759 N/A GLY 105.A N SER 102.A OG no hydrogen 3.212 N/A ILE 111.A N THR 107.A O no hydrogen 3.141 N/A ILE 111.A N ALA 108.A O no hydrogen 3.154 N/A LEU 112.A N ALA 108.A O no hydrogen 3.248 N/A ALA 113.A N ASP 109.A O no hydrogen 3.260 N/A LEU 114.A N SER 110.A O no hydrogen 3.009 N/A GLN 115.A N ILE 111.A O no hydrogen 2.707 N/A TYR 116.A N LEU 112.A O no hydrogen 2.748 N/A TYR 116.A OH SER 90.A O no hydrogen 2.789 N/A CYS 117.A N ALA 113.A O no hydrogen 2.813 N/A LEU 118.A N LEU 114.A O no hydrogen 2.957 N/A GLU 119.A N GLN 115.A O no hydrogen 2.512 N/A ARG 120.A N TYR 116.A O no hydrogen 3.191 N/A GLY 121.A N LEU 118.A O no hydrogen 3.077 N/A ALA 122.A N CYS 117.A O no hydrogen 3.202 N/A LEU 123.A N ASP 96.A O no hydrogen 3.100 N/A THR 124.A N HIS 140.A ND1 no hydrogen 3.076 N/A THR 124.A OG1 HIS 140.A ND1 no hydrogen 2.607 N/A VAL 125.A N CYS 98.A O no hydrogen 2.857 N/A GLY 126.A N CYS 141.A O no hydrogen 2.859 N/A ILE 127.A N PHE 100.A O no hydrogen 2.801 N/A VAL 128.A N VAL 143.A O no hydrogen 2.804 N/A ASN 129.A N SER 102.A O no hydrogen 3.291 N/A ASN 129.A N GLN 103.A O no hydrogen 3.180 N/A SER 130.A N GLN 103.A O no hydrogen 3.046 N/A SER 130.A OG GLN 103.A O no hydrogen 3.127 N/A SER 130.A OG SER 104.A O no hydrogen 2.919 N/A SER 133.A OG SER 130.A O no hydrogen 3.117 N/A SER 133.A OG SER 136.A OG no hydrogen 3.272 N/A SER 134.A N GLU 106.A OE2 no hydrogen 2.843 N/A SER 134.A OG GLU 106.A OE1 no hydrogen 2.569 N/A MET 135.A N GLY 105.A O no hydrogen 3.217 N/A SER 136.A OG SER 133.A O no hydrogen 3.050 N/A SER 136.A OG SER 133.A OG no hydrogen 3.272 N/A GLN 138.A N SER 134.A O no hydrogen 3.370 N/A GLN 138.A NE2 SER 134.A O no hydrogen 2.862 N/A THR 139.A N MET 135.A O no hydrogen 2.927 N/A THR 139.A OG1 MET 135.A O no hydrogen 3.495 N/A THR 139.A OG1 CYS 141.A O no hydrogen 3.057 N/A HIS 140.A N THR 124.A OG1 no hydrogen 3.197 N/A HIS 140.A ND1 THR 124.A OG1 no hydrogen 2.607 N/A CYS 141.A N THR 124.A O no hydrogen 3.332 N/A VAL 143.A N GLY 126.A O no hydrogen 2.834 N/A ILE 145.A N VAL 128.A O no hydrogen 2.791 N/A ILE 151.A N GLU 9.A OE1 no hydrogen 3.219 N/A GLY 152.A N GLU 9.A OE1 no hydrogen 3.237 N/A THR 156.A OG1 GLU 9.A OE2 no hydrogen 2.781 N/A THR 160.A OG1 GLN 13.A OE1 no hydrogen 3.127 N/A THR 160.A OG1 THR 156.A O no hydrogen 3.451 N/A THR 160.A OG1 LYS 157.A O no hydrogen 2.698 N/A SER 161.A N LYS 157.A O no hydrogen 2.956 N/A SER 161.A OG THR 20.A OG1 no hydrogen 3.086 N/A SER 161.A OG LYS 157.A O no hydrogen 3.300 N/A GLN 162.A N ALA 158.A O no hydrogen 2.653 N/A TYR 163.A N TYR 159.A O no hydrogen 2.790 N/A TYR 163.A OH CYS 314.A O no hydrogen 2.213 N/A ILE 164.A N THR 160.A O no hydrogen 2.803 N/A ALA 165.A N SER 161.A O no hydrogen 2.608 N/A LEU 166.A N GLN 162.A O no hydrogen 2.643 N/A VAL 167.A N TYR 163.A O no hydrogen 2.933 N/A MET 168.A N ILE 164.A O no hydrogen 2.940 N/A PHE 169.A N ALA 165.A O no hydrogen 2.818 N/A ALA 170.A N LEU 166.A O no hydrogen 2.745 N/A LEU 171.A N VAL 167.A O no hydrogen 2.678 N/A SER 172.A N MET 168.A O no hydrogen 2.912 N/A SER 172.A OG MET 168.A O no hydrogen 3.269 N/A LEU 173.A N PHE 169.A O no hydrogen 3.225 N/A SER 174.A N LEU 171.A O no hydrogen 2.903 N/A SER 174.A OG ALA 170.A O no hydrogen 2.913 N/A SER 174.A OG LEU 171.A O no hydrogen 3.025 N/A SER 174.A OG HIS 184.A NE2 no hydrogen 3.013 N/A ASN 175.A N SER 172.A O no hydrogen 3.281 N/A SER 177.A N SER 174.A O no hydrogen 3.440 N/A ARG 180.A N SER 177.A O no hydrogen 3.386 N/A ARG 180.A NE GLU 71.A O no hydrogen 3.259 N/A ARG 180.A NH1 SER 177.A OG no hydrogen 2.831 N/A ARG 180.A NH2 GLU 71.A O no hydrogen 3.355 N/A LYS 181.A NZ CYS 30.A O no hydrogen 3.487 N/A ARG 183.A NE GLU 186.A OE1 no hydrogen 2.986 N/A ARG 183.A NH2 GLU 186.A OE1 no hydrogen 3.441 N/A ARG 183.A NH2 ASP 313.A OD1 no hydrogen 2.600 N/A HIS 184.A N ARG 180.A O no hydrogen 2.788 N/A HIS 184.A NE2 SER 174.A OG no hydrogen 3.013 N/A GLU 185.A N LYS 181.A O no hydrogen 2.840 N/A GLU 186.A N GLY 182.A O no hydrogen 2.872 N/A ILE 187.A N ARG 183.A O no hydrogen 2.993 N/A ILE 188.A N HIS 184.A O no hydrogen 2.729 N/A LYS 189.A N GLU 185.A O no hydrogen 3.365 N/A LYS 189.A NZ PHE 27.A O no hydrogen 3.284 N/A GLY 190.A N GLU 186.A O no hydrogen 3.302 N/A LEU 191.A N ILE 187.A O no hydrogen 2.920 N/A GLN 192.A N ILE 188.A O no hydrogen 3.202 N/A LYS 193.A N LYS 189.A O no hydrogen 3.257 N/A ILE 194.A N LEU 191.A O no hydrogen 2.961 N/A GLN 197.A N LYS 193.A O no hydrogen 3.399 N/A GLN 197.A NE2 THR 311.A OG1 no hydrogen 3.398 N/A ILE 198.A N ILE 194.A O no hydrogen 2.937 N/A LYS 199.A N PRO 195.A O no hydrogen 3.351 N/A GLN 200.A N GLU 196.A O no hydrogen 3.360 N/A VAL 201.A N ILE 198.A O no hydrogen 3.001 N/A LEU 202.A N ILE 198.A O no hydrogen 2.899 N/A LYS 203.A N LYS 199.A O no hydrogen 3.047 N/A GLU 205.A N LEU 202.A O no hydrogen 2.992 N/A LYS 207.A NZ THR 305.A O no hydrogen 3.126 N/A ILE 208.A N LEU 204.A O no hydrogen 3.477 N/A LYS 209.A N GLU 205.A O no hydrogen 3.030 N/A ASP 210.A N ASN 206.A O no hydrogen 3.295 N/A LEU 211.A N LYS 207.A O no hydrogen 3.103 N/A CYS 212.A N LYS 209.A O no hydrogen 2.942 N/A CYS 212.A SG ILE 208.A O no hydrogen 3.300 N/A ASN 213.A N ASP 210.A O no hydrogen 3.242 N/A SER 214.A N LEU 211.A O no hydrogen 2.933 N/A SER 214.A OG LEU 211.A O no hydrogen 2.959 N/A SER 215.A OG LEU 211.A O no hydrogen 3.467 N/A LYS 217.A N GLN 216.A OE1 no hydrogen 2.376 N/A SER 218.A N GLN 216.A OE1 no hydrogen 3.035 N/A SER 218.A OG HIS 245.A O no hydrogen 3.451 N/A LEU 219.A N HIS 245.A O no hydrogen 2.701 N/A LEU 220.A N PRO 258.A O no hydrogen 3.227 N/A LEU 221.A N GLU 247.A O no hydrogen 3.110 N/A GLY 223.A N VAL 249.A O no hydrogen 3.127 N/A ARG 224.A NE ALA 251.A O no hydrogen 2.900 N/A ARG 224.A NH2 ALA 251.A O no hydrogen 2.843 N/A TYR 226.A OH ASP 313.A OD1 no hydrogen 3.391 N/A GLN 227.A N SER 267.A OG no hydrogen 2.975 N/A GLN 227.A NE2 ASP 266.A OD2 no hydrogen 2.934 N/A PHE 228.A N GLY 225.A O no hydrogen 2.847 N/A THR 230.A OG1 GLN 227.A O no hydrogen 2.814 N/A THR 230.A OG1 GLN 227.A OE1 no hydrogen 2.620 N/A ALA 231.A N GLN 227.A O no hydrogen 3.365 N/A GLU 233.A N ALA 229.A O no hydrogen 2.879 N/A GLY 234.A N THR 230.A O no hydrogen 2.885 N/A ALA 235.A N ALA 231.A O no hydrogen 2.940 N/A LEU 236.A N LEU 232.A O no hydrogen 3.007 N/A LYS 237.A N GLU 233.A O no hydrogen 2.696 N/A LYS 237.A NZ THR 57.A OG1 no hydrogen 3.247 N/A LYS 237.A NZ SER 155.A O no hydrogen 3.014 N/A ILE 238.A N GLY 234.A O no hydrogen 2.717 N/A LYS 239.A N ALA 235.A O no hydrogen 2.933 N/A GLU 240.A N LEU 236.A O no hydrogen 2.604 N/A ILE 241.A N LYS 237.A O no hydrogen 2.692 N/A SER 242.A OG ILE 238.A O no hydrogen 2.896 N/A HIS 245.A N LYS 217.A O no hydrogen 3.454 N/A SER 246.A OG LEU 219.A O no hydrogen 2.624 N/A GLU 247.A N LEU 219.A O no hydrogen 3.341 N/A VAL 249.A N LEU 221.A O no hydrogen 3.079 N/A ALA 251.A N GLY 223.A O no hydrogen 2.906 N/A ILE 260.A N LEU 220.A O no hydrogen 2.943 N/A ALA 261.A N ILE 287.A O no hydrogen 2.826 N/A PHE 262.A N LEU 222.A O no hydrogen 3.170 N/A ALA 263.A N ILE 289.A O no hydrogen 2.803 N/A THR 264.A OG1 ASP 266.A OD1 no hydrogen 3.492 N/A THR 264.A OG1 ASP 266.A OD2 no hydrogen 3.344 N/A ARG 265.A N ASN 291.A OD1 no hydrogen 3.226 N/A SER 267.A N THR 264.A O no hydrogen 2.981 N/A SER 267.A OG ARG 224.A O no hydrogen 3.360 N/A SER 267.A OG ASP 266.A OD2 no hydrogen 2.861 N/A MET 273.A N PHE 269.A O no hydrogen 3.142 N/A MET 273.A N PRO 270.A O no hydrogen 2.836 N/A SER 274.A N PRO 270.A O no hydrogen 2.843 N/A SER 274.A OG LYS 271.A O no hydrogen 3.000 N/A ALA 275.A N LYS 271.A O no hydrogen 3.028 N/A ILE 276.A N VAL 272.A O no hydrogen 3.331 N/A GLU 277.A N MET 273.A O no hydrogen 2.823 N/A GLN 278.A N SER 274.A O no hydrogen 3.212 N/A GLN 278.A NE2 SER 274.A O no hydrogen 2.889 N/A VAL 279.A N ILE 276.A O no hydrogen 2.525 N/A THR 280.A N ILE 276.A O no hydrogen 2.896 N/A THR 280.A OG1 ILE 276.A O no hydrogen 3.351 N/A THR 280.A OG1 GLU 277.A O no hydrogen 2.837 N/A ALA 281.A N GLU 277.A O no hydrogen 2.575 N/A ARG 282.A N GLN 278.A O no hydrogen 2.968 N/A ARG 282.A NH1 GLU 255.A OE2 no hydrogen 2.658 N/A ASP 283.A N THR 280.A O no hydrogen 3.384 N/A GLY 284.A N VAL 279.A O no hydrogen 3.359 N/A ILE 287.A N ILE 259.A O no hydrogen 2.483 N/A ILE 289.A N ALA 261.A O no hydrogen 2.719 N/A CYS 290.A N LEU 306.A O no hydrogen 3.215 N/A CYS 290.A SG VAL 288.A O no hydrogen 3.826 N/A CYS 290.A SG ASN 291.A O no hydrogen 3.915 N/A ASN 291.A ND2 VAL 308.A O no hydrogen 3.244 N/A GLU 292.A N VAL 308.A O no hydrogen 3.171 N/A SER 298.A OG ASP 300.A OD1 no hydrogen 3.139 N/A LYS 301.A N SER 298.A O no hydrogen 3.263 N/A VAL 308.A N CYS 290.A O no hydrogen 2.928 N/A THR 311.A N GLN 316.A OE1 no hydrogen 3.067 N/A CYS 314.A SG ASP 313.A OD1 no hydrogen 3.829 N/A LEU 315.A N VAL 312.A O no hydrogen 2.780 N/A GLN 316.A N VAL 312.A O no hydrogen 3.001 N/A GLN 316.A NE2 PRO 309.A O no hydrogen 2.999 N/A GLN 316.A NE2 ASN 320.A OD1 no hydrogen 3.050 N/A LEU 318.A N LEU 315.A O no hydrogen 2.821 N/A LEU 319.A N GLN 316.A O no hydrogen 2.785 N/A ASN 320.A N GLN 316.A O no hydrogen 2.944 N/A ASN 320.A ND2 THR 264.A OG1 no hydrogen 2.835 N/A VAL 321.A N GLY 317.A O no hydrogen 3.000 N/A ILE 322.A N LEU 319.A O no hydrogen 2.820 N/A GLN 325.A N VAL 321.A O no hydrogen 2.961 N/A GLN 325.A NE2 GLN 13.A OE1 no hydrogen 3.468 N/A LEU 326.A N ILE 322.A O no hydrogen 2.776 N/A ILE 327.A N PRO 323.A O no hydrogen 2.677 N/A SER 328.A N LEU 324.A O no hydrogen 3.038 N/A SER 328.A OG GLN 325.A O no hydrogen 3.106 N/A TYR 329.A N GLN 325.A O no hydrogen 2.775 N/A TYR 329.A OH HIS 4.A ND1 no hydrogen 3.292 N/A TRP 330.A N LEU 326.A O no hydrogen 3.226 N/A TRP 330.A NE1 GLU 205.A OE2 no hydrogen 2.622 N/A LEU 331.A N ILE 327.A O no hydrogen 3.263 N/A VAL 333.A N TYR 329.A O no hydrogen 2.916 N/A ASN 334.A N TRP 330.A O no hydrogen 2.712 N/A ARG 335.A N LEU 331.A O no hydrogen 2.735 N/A ARG 335.A NH1 TYR 243.A O no hydrogen 2.887 N/A GLY 336.A N VAL 333.A O no hydrogen 2.528 N/A