Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 ASP 56.A OD1 no hydrogen 3.441 N/A PHE 5.A N ASN 36.A O no hydrogen 3.215 N/A ILE 7.A N PHE 38.A O no hydrogen 3.009 N/A SER 9.A OG ILE 8.A O no hydrogen 2.322 N/A SER 9.A OG SER 9.A O no hydrogen 2.669 N/A SER 9.A OG GLN 13.A OE1 no hydrogen 3.516 N/A SER 9.A OG ALA 40.A O no hydrogen 3.246 N/A SER 12.A OG THR 10.A O no hydrogen 3.169 N/A TRP 20.A N LYS 17.A O no hydrogen 3.236 N/A THR 21.A N LYS 17.A O no hydrogen 3.164 N/A THR 21.A OG1 LYS 17.A O no hydrogen 2.685 N/A LEU 24.A N TRP 20.A O no hydrogen 2.929 N/A GLN 25.A N THR 21.A O no hydrogen 2.706 N/A ASP 26.A N PRO 22.A O no hydrogen 2.957 N/A MET 27.A N PHE 23.A O no hydrogen 3.055 N/A GLU 28.A N LEU 24.A O no hydrogen 2.453 N/A LYS 29.A N ASP 26.A O no hydrogen 2.986 N/A LYS 30.A N ASP 26.A O no hydrogen 3.027 N/A LEU 31.A N MET 27.A O no hydrogen 2.918 N/A PHE 38.A N PHE 5.A O no hydrogen 2.476 N/A ALA 40.A N ILE 8.A O no hydrogen 2.959 N/A ILE 47.A N TYR 43.A O no hydrogen 2.709 N/A GLN 48.A N ALA 44.A O no hydrogen 3.337 N/A GLY 49.A N GLY 45.A O no hydrogen 3.087 N/A MET 50.A N ILE 46.A O no hydrogen 3.112 N/A ARG 51.A N ILE 47.A O no hydrogen 2.703 N/A ARG 51.A NE GLN 48.A OE1 no hydrogen 3.226 N/A ARG 51.A NH1 ARG 71.A O no hydrogen 3.453 N/A PHE 52.A N GLY 49.A O no hydrogen 3.371 N/A ASN 53.A N MET 50.A O no hydrogen 2.641 N/A VAL 55.A N GLY 49.A O no hydrogen 2.853 N/A ASP 56.A N ASN 4.A O no hydrogen 3.232 N/A TRP 59.A N GLY 6.A O no hydrogen 3.095 N/A TRP 59.A NE1 ASP 201.A OD2 no hydrogen 2.918 N/A ASN 62.A ND2 PRO 199.A O no hydrogen 2.886 N/A SER 64.A OG GLY 61.A O no hydrogen 2.930 N/A ALA 65.A N GLY 61.A O no hydrogen 2.623 N/A MET 66.A N ASN 62.A O no hydrogen 2.521 N/A GLU 67.A N LEU 63.A O no hydrogen 3.136 N/A ALA 68.A N SER 64.A O no hydrogen 2.923 N/A ASP 70.A N MET 66.A O no hydrogen 3.056 N/A ARG 71.A N GLU 67.A O no hydrogen 2.791 N/A ARG 71.A NE GLU 67.A OE1 no hydrogen 3.507 N/A ALA 72.A N ALA 68.A O no hydrogen 3.031 N/A GLN 75.A N TRP 205.A O no hydrogen 3.255 N/A VAL 76.A N ASP 247.A OD1 no hydrogen 3.253 N/A PHE 77.A N ILE 203.A O no hydrogen 3.012 N/A GLN 79.A N ARG 243.A O no hydrogen 2.978 N/A THR 80.A N ASP 201.A O no hydrogen 2.656 N/A THR 80.A OG1 ASP 201.A O no hydrogen 2.433 N/A ALA 83.A N GLY 238.A O no hydrogen 2.950 N/A GLY 85.A N ALA 82.A O no hydrogen 2.477 N/A SER 86.A N ALA 82.A O no hydrogen 2.904 N/A SER 86.A OG GLY 85.A O no hydrogen 2.593 N/A TYR 89.A N ILE 198.A O no hydrogen 2.636 N/A TRP 90.A N THR 172.A OG1 no hydrogen 3.396 N/A SER 91.A N SER 195.A OG no hydrogen 2.834 N/A SER 91.A OG SER 125.A O no hydrogen 2.686 N/A VAL 92.A N ASN 170.A O no hydrogen 2.720 N/A LEU 93.A N TRP 193.A O no hydrogen 3.302 N/A ILE 94.A N ALA 168.A O no hydrogen 2.879 N/A VAL 95.A N LYS 190.A O no hydrogen 2.981 N/A ASN 96.A ND2 VAL 160.A O no hydrogen 2.999 N/A ASN 96.A ND2 ALA 161.A O no hydrogen 2.631 N/A LYS 97.A N GLU 188.A O no hydrogen 2.653 N/A LYS 97.A NZ LYS 187.A O no hydrogen 2.185 N/A ASP 98.A N ASN 96.A OD1 no hydrogen 3.382 N/A SER 99.A N ASN 96.A O no hydrogen 3.067 N/A ILE 101.A N SER 99.A OG no hydrogen 3.157 N/A ASN 102.A ND2 ASP 106.A OD2 no hydrogen 3.351 N/A LEU 107.A N ASN 103.A O no hydrogen 3.277 N/A LEU 108.A N LEU 104.A O no hydrogen 2.758 N/A ALA 109.A N ASN 105.A O no hydrogen 3.153 N/A ALA 109.A N ASP 106.A O no hydrogen 2.820 N/A LYS 110.A N ASP 106.A O no hydrogen 3.126 N/A ARG 111.A N ALA 109.A O no hydrogen 2.292 N/A ARG 111.A NH1 LEU 108.A O no hydrogen 2.890 N/A LEU 114.A N ARG 111.A O no hydrogen 2.790 N/A THR 115.A N ASP 166.A OD2 no hydrogen 3.083 N/A THR 115.A OG1 ASP 166.A OD2 no hydrogen 2.356 N/A PHE 116.A N ARG 147.A O no hydrogen 3.083 N/A GLY 117.A N VAL 167.A O no hydrogen 2.796 N/A ASN 118.A N VAL 149.A O no hydrogen 2.673 N/A ASN 122.A N ASP 120.A OD1 no hydrogen 2.415 N/A SER 123.A N ASP 120.A O no hydrogen 2.882 N/A GLY 126.A N SER 123.A OG no hydrogen 2.861 N/A PHE 127.A N SER 123.A O no hydrogen 3.136 N/A LEU 128.A N SER 123.A O no hydrogen 3.063 N/A VAL 129.A N THR 124.A O no hydrogen 2.503 N/A GLY 131.A N PHE 127.A O no hydrogen 2.897 N/A TYR 132.A N LEU 128.A O no hydrogen 3.093 N/A TYR 132.A OH ASP 291.A OD1 no hydrogen 3.087 N/A TYR 132.A OH ASP 291.A OD2 no hydrogen 3.397 N/A TYR 133.A N VAL 129.A O no hydrogen 3.173 N/A TYR 133.A OH GLN 255.A OE1 no hydrogen 2.526 N/A VAL 134.A N PRO 130.A O no hydrogen 2.705 N/A PHE 135.A N PRO 130.A O no hydrogen 3.353 N/A ALA 136.A N GLY 131.A O no hydrogen 2.871 N/A LYS 137.A N TYR 132.A O no hydrogen 2.878 N/A ASN 138.A ND2 VAL 134.A O no hydrogen 2.470 N/A ASN 139.A N ALA 136.A O no hydrogen 2.926 N/A ILE 140.A N PHE 135.A O no hydrogen 3.199 N/A SER 141.A N ASP 144.A OD2 no hydrogen 3.275 N/A SER 141.A OG ASP 144.A OD2 no hydrogen 3.067 N/A ASP 144.A N SER 141.A O no hydrogen 3.239 N/A LYS 146.A N LYS 112.A O no hydrogen 3.323 N/A THR 148.A OG1 PHE 116.A O no hydrogen 3.445 N/A VAL 149.A N PHE 116.A O no hydrogen 2.915 N/A ASN 150.A ND2 GLY 119.A O no hydrogen 2.732 N/A ALA 151.A N ASN 118.A O no hydrogen 2.699 N/A ASN 156.A N GLY 152.A O no hydrogen 2.710 N/A ALA 157.A N ALA 153.A O no hydrogen 2.599 N/A LEU 158.A N GLU 154.A O no hydrogen 3.002 N/A ALA 159.A N THR 155.A O no hydrogen 2.478 N/A VAL 160.A N ASN 156.A O no hydrogen 2.869 N/A ALA 161.A N ALA 157.A O no hydrogen 2.922 N/A ASN 162.A N LEU 158.A O no hydrogen 2.934 N/A ASN 162.A ND2 LEU 158.A O no hydrogen 3.300 N/A LYS 163.A N VAL 160.A O no hydrogen 2.656 N/A LYS 163.A NZ ASP 98.A OD2 no hydrogen 3.319 N/A GLN 164.A N ALA 159.A O no hydrogen 2.993 N/A ASP 166.A N THR 115.A OG1 no hydrogen 3.261 N/A VAL 167.A N THR 115.A O no hydrogen 3.276 N/A ALA 168.A N ILE 94.A O no hydrogen 3.268 N/A THR 169.A N GLY 117.A O no hydrogen 2.801 N/A THR 169.A OG1 GLY 117.A O no hydrogen 3.337 N/A THR 169.A OG1 GLY 126.A O no hydrogen 2.807 N/A ASN 170.A N VAL 92.A O no hydrogen 2.675 N/A ASN 170.A ND2 ALA 153.A O no hydrogen 3.310 N/A ASN 170.A ND2 THR 169.A O no hydrogen 2.360 N/A ASN 171.A ND2 ASN 174.A OD1 no hydrogen 3.504 N/A THR 172.A N TRP 90.A O no hydrogen 3.332 N/A ASN 174.A N ASN 171.A OD1 no hydrogen 2.632 N/A LEU 175.A N ASN 171.A O no hydrogen 3.202 N/A ASP 176.A N THR 172.A O no hydrogen 2.850 N/A LYS 177.A N GLU 173.A O no hydrogen 3.025 N/A LEU 178.A N ASN 174.A O no hydrogen 3.011 N/A LYS 179.A N ASP 176.A O no hydrogen 2.629 N/A THR 180.A N LYS 177.A O no hydrogen 2.525 N/A THR 180.A OG1 LYS 177.A O no hydrogen 2.957 N/A SER 181.A N LYS 177.A O no hydrogen 2.987 N/A ALA 182.A N LEU 178.A O no hydrogen 2.663 N/A LYS 185.A N ALA 182.A O no hydrogen 2.881 N/A LEU 186.A N ALA 182.A O no hydrogen 2.949 N/A LYS 187.A N PRO 183.A O no hydrogen 3.018 N/A LEU 189.A N LEU 186.A O no hydrogen 3.013 N/A LYS 190.A N VAL 95.A O no hydrogen 2.757 N/A LYS 190.A NZ SER 99.A O no hydrogen 2.690 N/A LYS 190.A NZ ILE 101.A O no hydrogen 2.761 N/A LYS 190.A NZ ASN 102.A OD1 no hydrogen 3.519 N/A ILE 192.A N LEU 93.A O no hydrogen 2.989 N/A SER 195.A N SER 91.A O no hydrogen 2.932 N/A SER 195.A OG PRO 196.A O no hydrogen 2.109 N/A ILE 198.A N TYR 89.A O no hydrogen 2.788 N/A GLY 200.A N PRO 87.A O no hydrogen 3.160 N/A ILE 203.A N ALA 78.A O no hydrogen 2.555 N/A VAL 204.A N ALA 58.A O no hydrogen 2.941 N/A TRP 205.A N GLN 75.A O no hydrogen 3.394 N/A ARG 206.A N ASP 56.A O no hydrogen 3.319 N/A ARG 206.A NE VAL 55.A O no hydrogen 3.211 N/A ARG 206.A NH1 ASN 208.A OD1 no hydrogen 2.778 N/A ARG 206.A NH2 ASP 56.A OD1 no hydrogen 3.111 N/A LYS 207.A N ASN 73.A O no hydrogen 3.121 N/A LEU 209.A N ARG 206.A O no hydrogen 3.109 N/A THR 213.A OG1 SER 210.A OG no hydrogen 2.855 N/A LYS 214.A N SER 210.A O no hydrogen 2.936 N/A LYS 214.A NZ LYS 207.A O no hydrogen 3.237 N/A ASP 215.A N GLU 211.A O no hydrogen 3.075 N/A LYS 216.A N THR 212.A O no hydrogen 3.232 N/A LYS 216.A N THR 213.A O no hydrogen 2.945 N/A ILE 217.A N THR 213.A O no hydrogen 2.948 N/A TYR 218.A N LYS 214.A O no hydrogen 2.629 N/A ASP 219.A N ASP 215.A O no hydrogen 3.116 N/A PHE 220.A N LYS 216.A O no hydrogen 2.672 N/A PHE 221.A N ILE 217.A O no hydrogen 2.882 N/A MET 222.A N TYR 218.A O no hydrogen 2.868 N/A ASN 223.A N ASP 219.A O no hydrogen 2.973 N/A ASN 223.A N PHE 220.A O no hydrogen 3.168 N/A ASN 223.A ND2 ASP 219.A O no hydrogen 2.543 N/A TYR 224.A N PHE 220.A O no hydrogen 2.752 N/A GLY 225.A N GLU 230.A OE1 no hydrogen 2.989 N/A LYS 226.A NZ ASN 223.A OD1 no hydrogen 2.356 N/A THR 227.A N GLU 230.A OE1 no hydrogen 2.918 N/A LYS 231.A N THR 227.A O no hydrogen 2.395 N/A LYS 231.A NZ GLY 225.A O no hydrogen 3.306 N/A LYS 231.A NZ LYS 226.A O no hydrogen 2.734 N/A ALA 232.A N PRO 228.A O no hydrogen 2.960 N/A VAL 233.A N GLU 229.A O no hydrogen 3.035 N/A LEU 234.A N GLU 230.A O no hydrogen 3.284 N/A LEU 234.A N LYS 231.A O no hydrogen 3.283 N/A LEU 237.A N LEU 234.A O no hydrogen 2.948 N/A GLY 238.A N GLU 235.A O no hydrogen 2.370 N/A TRP 239.A N LEU 234.A O no hydrogen 2.866 N/A ALA 240.A N VAL 81.A O no hydrogen 2.595 N/A ARG 243.A N GLN 79.A O no hydrogen 2.844 N/A SER 245.A N PHE 77.A O no hydrogen 2.977 N/A SER 245.A OG GLN 249.A OE1 no hydrogen 2.323 N/A LEU 248.A N SER 246.A OG no hydrogen 2.929 N/A GLN 249.A N SER 246.A O no hydrogen 2.832 N/A GLN 249.A NE2 ASN 62.A OD1 no hydrogen 2.850 N/A GLN 249.A NE2 GLY 200.A O no hydrogen 2.520 N/A LEU 250.A N ASP 247.A O no hydrogen 2.983 N/A VAL 251.A N LEU 248.A O no hydrogen 3.286 N/A ARG 254.A N LEU 250.A O no hydrogen 2.543 N/A ARG 254.A NH2 ASP 70.A OD1 no hydrogen 2.379 N/A GLN 255.A N VAL 251.A O no hydrogen 2.996 N/A LEU 256.A N PRO 252.A O no hydrogen 3.239 N/A ALA 257.A N ILE 253.A O no hydrogen 3.097 N/A LEU 258.A N ARG 254.A O no hydrogen 2.982 N/A PHE 259.A N LEU 256.A O no hydrogen 2.886 N/A LYS 260.A N LEU 256.A O no hydrogen 2.890 N/A GLU 261.A N ALA 257.A O no hydrogen 3.147 N/A MET 262.A N LEU 258.A O no hydrogen 3.183 N/A GLN 263.A N PHE 259.A O no hydrogen 2.714 N/A SER 264.A N LYS 260.A O no hydrogen 2.767 N/A VAL 265.A N MET 262.A O no hydrogen 3.185 N/A LYS 266.A N MET 262.A O no hydrogen 3.259 N/A ASP 267.A N GLN 263.A O no hydrogen 3.381 N/A ASN 268.A N VAL 265.A O no hydrogen 2.748 N/A LYS 269.A NZ ASP 267.A O no hydrogen 3.024 N/A LEU 271.A N ASN 268.A O no hydrogen 3.364 N/A ASN 272.A ND2 ASP 275.A OD2 no hydrogen 2.502 N/A LYS 276.A N ASN 272.A O no hydrogen 2.859 N/A LYS 276.A NZ LEU 271.A O no hydrogen 2.743 N/A LEU 277.A N GLU 273.A O no hydrogen 2.826 N/A ALA 278.A N GLN 274.A O no hydrogen 3.508 N/A LYS 279.A N LYS 276.A O no hydrogen 2.482 N/A THR 280.A N LYS 276.A O no hydrogen 3.386 N/A THR 280.A OG1 LEU 277.A O no hydrogen 3.488 N/A THR 281.A N LEU 277.A O no hydrogen 2.954 N/A THR 281.A OG1 LEU 277.A O no hydrogen 2.403 N/A THR 281.A OG1 ALA 278.A O no hydrogen 2.931 N/A ALA 282.A N LYS 279.A O no hydrogen 2.685 N/A ILE 283.A N LYS 279.A O no hydrogen 2.936 N/A GLN 284.A N THR 280.A O no hydrogen 3.142 N/A GLN 286.A N ALA 282.A O no hydrogen 3.392 N/A GLN 286.A NE2 ALA 282.A O no hydrogen 2.997 N/A LEU 287.A N ILE 283.A O no hydrogen 2.979 N/A ASP 288.A N GLN 284.A O no hydrogen 2.581 N/A ASP 289.A N ALA 285.A O no hydrogen 2.869 N/A LEU 290.A N GLN 286.A O no hydrogen 2.724 N/A ASP 291.A N LEU 287.A O no hydrogen 2.520 N/A ARG 292.A N ASP 288.A O no hydrogen 3.291 N/A ARG 292.A NE ASP 289.A OD1 no hydrogen 3.324 N/A ARG 292.A NH2 ASP 289.A OD1 no hydrogen 2.878 N/A LEU 293.A N ASP 289.A O no hydrogen 3.277 N/A LEU 293.A N LEU 290.A O no hydrogen 3.083 N/A ASN 294.A N LEU 290.A O no hydrogen 3.086 N/A ASN 294.A ND2 GLN 255.A OE1 no hydrogen 3.243 N/A ASN 295.A N ASP 291.A O no hydrogen 2.993 N/A ALA 296.A N ARG 292.A O no hydrogen 3.033 N/A LEU 297.A N LEU 293.A O no hydrogen 2.639 N/A SER 298.A N ASN 294.A O no hydrogen 2.704 N/A SER 298.A OG ASN 294.A O no hydrogen 3.183 N/A ALA 299.A N ALA 296.A O no hydrogen 2.801 N/A MET 300.A N ALA 296.A O no hydrogen 3.077 N/A MET 300.A N LEU 297.A O no hydrogen 3.338 N/A SER 301.A OG SER 302.A OG no hydrogen 2.116 N/A SER 302.A OG SER 301.A OG no hydrogen 2.116 N/A