Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u3u_SR.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N GLN 313.A O no hydrogen 3.141 N/A ARG 9.A N VAL 311.A O no hydrogen 3.118 N/A LEU 12.A N ILE 309.A O no hydrogen 3.191 N/A HIS 15.A ND1 ASP 38.A OD2 no hydrogen 2.609 N/A HIS 15.A NE2 SER 34.A OG no hydrogen 2.742 N/A ASN 16.A N ASP 38.A OD2 no hydrogen 2.778 N/A GLY 17.A N ASP 38.A OD2 no hydrogen 3.191 N/A VAL 19.A N TYR 304.A O no hydrogen 3.304 N/A THR 20.A N ALA 35.A O no hydrogen 2.634 N/A THR 20.A OG1 ALA 35.A O no hydrogen 3.336 N/A THR 20.A OG1 VAL 67.A O no hydrogen 2.684 N/A SER 21.A OG ASP 69.A OD1 no hydrogen 2.202 N/A THR 24.A OG1 TRP 293.A O no hydrogen 3.074 N/A SER 25.A OG ALA 74.A O no hydrogen 2.444 N/A ALA 26.A N ALA 74.A O no hydrogen 3.183 N/A GLY 27.A N ALA 74.A O no hydrogen 2.731 N/A GLN 28.A N SER 25.A OG no hydrogen 3.254 N/A LEU 31.A N GLN 28.A O no hydrogen 3.284 N/A SER 34.A N ILE 42.A O no hydrogen 2.820 N/A SER 34.A OG HIS 15.A NE2 no hydrogen 2.742 N/A ALA 35.A N SER 21.A O no hydrogen 3.457 N/A SER 36.A N THR 40.A O no hydrogen 3.237 N/A SER 36.A OG TRP 18.A O no hydrogen 3.028 N/A SER 36.A OG ASP 38.A OD2 no hydrogen 3.350 N/A ARG 37.A N TRP 18.A O no hydrogen 2.909 N/A LYS 39.A N SER 36.A O no hydrogen 3.356 N/A THR 40.A N ASP 38.A OD1 no hydrogen 2.816 N/A THR 40.A OG1 ASP 38.A OD1 no hydrogen 2.817 N/A LEU 41.A N PHE 60.A O no hydrogen 3.279 N/A ILE 42.A N SER 34.A O no hydrogen 2.733 N/A SER 43.A N ARG 58.A O no hydrogen 3.116 N/A SER 43.A OG ARG 58.A O no hydrogen 3.277 N/A TRP 44.A N LEU 32.A O no hydrogen 2.674 N/A LYS 45.A N VAL 55.A O no hydrogen 2.749 N/A LEU 46.A N ASN 30.A O no hydrogen 2.678 N/A THR 47.A N PHE 53.A O no hydrogen 3.077 N/A ASP 50.A N GLY 48.A O no hydrogen 2.738 N/A LYS 52.A N ASP 49.A O no hydrogen 3.274 N/A LYS 52.A N GLN 51.A OE1 no hydrogen 2.965 N/A VAL 57.A N SER 43.A O no hydrogen 2.855 N/A HIS 63.A ND1 ASP 85.A OD2 no hydrogen 2.482 N/A HIS 63.A NE2 SER 81.A OG no hydrogen 3.123 N/A SER 64.A N ASP 85.A OD2 no hydrogen 3.017 N/A ILE 66.A N HIS 65.A ND1 no hydrogen 2.858 N/A VAL 67.A N SER 36.A O no hydrogen 3.248 N/A GLN 68.A N ALA 82.A O no hydrogen 2.733 N/A GLN 68.A NE2 GLN 68.A O no hydrogen 3.226 N/A ASP 69.A N ALA 82.A O no hydrogen 3.361 N/A CYS 70.A N ASP 69.A OD1 no hydrogen 2.366 N/A CYS 70.A SG LEU 33.A O no hydrogen 4.039 N/A THR 71.A N LEU 80.A O no hydrogen 2.849 N/A ASP 75.A N ASP 75.A OD1 no hydrogen 2.318 N/A GLY 76.A N THR 73.A OG1 no hydrogen 2.734 N/A ALA 77.A N THR 73.A OG1 no hydrogen 3.043 N/A ALA 79.A N TRP 91.A O no hydrogen 3.238 N/A LEU 80.A N THR 71.A O no hydrogen 2.798 N/A SER 81.A N ARG 89.A O no hydrogen 3.060 N/A SER 81.A OG HIS 63.A NE2 no hydrogen 3.123 N/A SER 81.A OG ARG 89.A O no hydrogen 3.367 N/A ALA 82.A N ASP 69.A O no hydrogen 2.693 N/A SER 83.A N THR 87.A O no hydrogen 3.353 N/A SER 83.A OG ILE 66.A O no hydrogen 2.880 N/A TRP 84.A N ILE 66.A O no hydrogen 2.789 N/A TRP 84.A NE1 GLN 68.A OE1 no hydrogen 3.000 N/A ASP 85.A N SER 83.A OG no hydrogen 2.995 N/A LYS 86.A N SER 83.A O no hydrogen 3.319 N/A THR 87.A N ASP 85.A OD1 no hydrogen 2.925 N/A THR 87.A OG1 ASP 85.A OD1 no hydrogen 2.690 N/A LEU 88.A N PHE 102.A O no hydrogen 3.358 N/A ARG 89.A N SER 81.A O no hydrogen 3.166 N/A LEU 90.A N GLN 100.A O no hydrogen 3.336 N/A TRP 91.A N ALA 79.A O no hydrogen 2.877 N/A TRP 91.A NE1 SER 81.A OG no hydrogen 2.887 N/A ASP 92.A N GLY 96.A O no hydrogen 3.074 N/A ASP 92.A N GLU 97.A O no hydrogen 3.206 N/A VAL 93.A N ALA 77.A O no hydrogen 2.759 N/A THR 95.A OG1 ALA 94.A O no hydrogen 3.207 N/A GLY 96.A N ASP 92.A O no hydrogen 3.162 N/A TYR 99.A N LEU 90.A O no hydrogen 2.439 N/A TYR 99.A OH ASP 92.A OD2 no hydrogen 3.113 N/A ARG 101.A N GLN 100.A OE1 no hydrogen 3.281 N/A PHE 102.A N LEU 88.A O no hydrogen 2.873 N/A HIS 105.A NE2 SER 123.A OG no hydrogen 2.840 N/A LYS 106.A N ASP 127.A OD2 no hydrogen 3.278 N/A VAL 109.A N SER 83.A O no hydrogen 3.004 N/A SER 111.A OG ASP 69.A OD2 no hydrogen 3.112 N/A ASP 115.A N MET 120.A O no hydrogen 3.147 N/A LYS 116.A NZ VAL 156.A O no hydrogen 3.510 N/A ALA 118.A N ASP 115.A O no hydrogen 2.532 N/A SER 119.A N ASP 115.A OD2 no hydrogen 2.442 N/A SER 119.A OG ASP 115.A OD1 no hydrogen 3.154 N/A MET 120.A N ASP 115.A OD2 no hydrogen 2.785 N/A ILE 121.A N TRP 133.A O no hydrogen 3.250 N/A ILE 122.A N ASP 113.A O no hydrogen 3.340 N/A SER 123.A N LYS 131.A O no hydrogen 2.733 N/A SER 123.A OG HIS 105.A NE2 no hydrogen 2.840 N/A SER 123.A OG LYS 131.A O no hydrogen 3.440 N/A GLY 124.A N SER 111.A O no hydrogen 3.153 N/A SER 125.A OG SER 107.A O no hydrogen 3.205 N/A SER 125.A OG ASP 108.A O no hydrogen 2.330 N/A ARG 126.A N ASP 108.A O no hydrogen 2.929 N/A ARG 126.A NH1 ASP 108.A OD2 no hydrogen 2.509 N/A LYS 128.A N SER 125.A O no hydrogen 3.033 N/A THR 129.A N ASP 127.A OD1 no hydrogen 3.281 N/A THR 129.A OG1 ASP 127.A OD1 no hydrogen 2.852 N/A THR 129.A OG1 ASP 127.A OD2 no hydrogen 3.090 N/A ILE 130.A N LEU 143.A O no hydrogen 2.890 N/A LYS 131.A N SER 123.A O no hydrogen 3.055 N/A VAL 132.A N ALA 141.A O no hydrogen 2.771 N/A TRP 133.A N ILE 121.A O no hydrogen 2.805 N/A TRP 133.A NE1 SER 123.A OG no hydrogen 3.201 N/A THR 134.A N GLN 138.A O no hydrogen 2.826 N/A LYS 136.A N THR 134.A OG1 no hydrogen 3.050 N/A GLY 137.A N THR 134.A O no hydrogen 2.622 N/A GLN 138.A N THR 134.A OG1 no hydrogen 2.919 N/A CYS 139.A SG VAL 132.A O no hydrogen 3.369 N/A CYS 139.A SG ALA 141.A O no hydrogen 3.604 N/A LEU 140.A N VAL 132.A O no hydrogen 2.654 N/A LEU 143.A N ILE 130.A O no hydrogen 2.780 N/A HIS 146.A ND1 ASP 174.A OD1 no hydrogen 2.758 N/A HIS 146.A ND1 ASP 174.A OD2 no hydrogen 3.194 N/A HIS 146.A NE2 SER 170.A OG no hydrogen 2.940 N/A ASN 147.A N ASP 174.A OD2 no hydrogen 3.058 N/A TRP 149.A N ASP 148.A OD1 no hydrogen 2.414 N/A SER 151.A OG ILE 198.A O no hydrogen 2.493 N/A ARG 154.A NH2 ASP 69.A OD2 no hydrogen 2.519 N/A VAL 155.A N ASP 113.A OD2 no hydrogen 2.593 N/A VAL 156.A N THR 167.A O no hydrogen 2.897 N/A ASN 158.A ND2 ASP 163.A OD2 no hydrogen 3.520 N/A ASP 163.A N ASN 158.A OD1 no hydrogen 3.263 N/A ASP 164.A N ASP 162.A OD2 no hydrogen 3.368 N/A SER 165.A OG ASN 158.A OD1 no hydrogen 3.474 N/A SER 165.A OG ASP 163.A OD2 no hydrogen 2.350 N/A VAL 166.A N ASN 183.A OD1 no hydrogen 3.006 N/A ILE 168.A N TRP 180.A O no hydrogen 3.374 N/A ILE 169.A N ARG 154.A O no hydrogen 2.956 N/A SER 170.A N LYS 178.A O no hydrogen 2.876 N/A SER 170.A OG HIS 146.A NE2 no hydrogen 2.940 N/A ALA 171.A N GLN 152.A O no hydrogen 3.072 N/A ASN 173.A N TRP 149.A O no hydrogen 2.901 N/A LYS 175.A N GLY 172.A O no hydrogen 3.290 N/A VAL 177.A N PHE 191.A O no hydrogen 3.364 N/A LYS 178.A N SER 170.A O no hydrogen 2.858 N/A LYS 178.A NZ ASP 190.A OD1 no hydrogen 2.875 N/A ALA 179.A N ALA 189.A O no hydrogen 3.008 N/A TRP 180.A N ILE 168.A O no hydrogen 2.810 N/A TRP 180.A NE1 SER 170.A OG no hydrogen 2.836 N/A ASN 181.A N GLN 186.A O no hydrogen 3.001 N/A ASN 181.A ND2 ASN 183.A OD1 no hydrogen 3.557 N/A LEU 182.A N VAL 166.A O no hydrogen 3.065 N/A ASN 183.A N ASN 181.A OD1 no hydrogen 3.237 N/A ASN 183.A ND2 ASP 164.A O no hydrogen 2.441 N/A GLN 184.A N ASN 181.A OD1 no hydrogen 2.880 N/A GLU 188.A N ALA 179.A O no hydrogen 2.934 N/A ALA 189.A N ALA 179.A O no hydrogen 3.234 N/A PHE 191.A N VAL 177.A O no hydrogen 2.861 N/A HIS 194.A NE2 SER 212.A O no hydrogen 2.731 N/A ASN 195.A N ASP 216.A OD2 no hydrogen 3.207 N/A ASN 195.A ND2 GLY 193.A O no hydrogen 2.586 N/A SER 196.A OG ASN 197.A O no hydrogen 2.895 N/A ASN 199.A ND2 GLU 238.A OE2 no hydrogen 3.300 N/A ASN 199.A ND2 VAL 239.A O no hydrogen 3.094 N/A THR 200.A OG1 GLN 152.A OE1 no hydrogen 2.444 N/A THR 202.A OG1 ALA 203.A O no hydrogen 2.876 N/A SER 204.A OG ASP 206.A OD1 no hydrogen 2.379 N/A GLY 207.A N SER 204.A O no hydrogen 3.317 N/A THR 208.A N ASP 206.A OD1 no hydrogen 3.126 N/A THR 208.A OG1 ASP 206.A OD1 no hydrogen 3.445 N/A LEU 209.A N SER 204.A OG no hydrogen 3.073 N/A ALA 211.A N THR 202.A O no hydrogen 3.070 N/A SER 212.A N MET 220.A O no hydrogen 3.138 N/A SER 212.A OG HIS 194.A NE2 no hydrogen 3.022 N/A LYS 215.A N ASN 197.A O no hydrogen 2.933 N/A ASP 216.A N SER 196.A OG no hydrogen 2.684 N/A ILE 219.A N LEU 233.A O no hydrogen 2.518 N/A MET 220.A N SER 212.A O no hydrogen 2.748 N/A LEU 221.A N TYR 231.A O no hydrogen 2.997 N/A TRP 222.A N ILE 210.A O no hydrogen 3.017 N/A TRP 222.A NE1 SER 212.A OG no hydrogen 3.035 N/A LEU 224.A N THR 208.A O no hydrogen 2.928 N/A ALA 226.A N ASN 223.A OD1 no hydrogen 3.085 N/A LYS 227.A N LEU 224.A O no hydrogen 3.056 N/A LYS 228.A N ASN 223.A O no hydrogen 3.243 N/A LYS 228.A NZ ALA 226.A O no hydrogen 3.068 N/A LYS 228.A NZ LYS 227.A O no hydrogen 2.962 N/A TYR 231.A N LEU 221.A O no hydrogen 3.286 N/A LEU 233.A N ILE 219.A O no hydrogen 2.648 N/A SER 234.A OG GLU 218.A OE1 no hydrogen 2.755 N/A SER 234.A OG GLU 218.A OE2 no hydrogen 3.011 N/A ALA 235.A N GLY 217.A O no hydrogen 2.971 N/A ASP 237.A N ALA 235.A O no hydrogen 2.979 N/A VAL 239.A N GLY 214.A O no hydrogen 2.687 N/A PHE 240.A N ALA 254.A O no hydrogen 2.959 N/A SER 241.A N ASN 199.A O no hydrogen 3.271 N/A SER 245.A N TRP 250.A O no hydrogen 2.715 N/A SER 245.A OG ASN 247.A OD1 no hydrogen 2.629 N/A ASN 247.A N SER 245.A OG no hydrogen 3.416 N/A ARG 248.A N SER 245.A OG no hydrogen 3.315 N/A ARG 248.A N ASN 247.A OD1 no hydrogen 2.771 N/A ARG 248.A NE GLU 4.A OE2 no hydrogen 2.976 N/A LEU 251.A N PHE 262.A O no hydrogen 2.918 N/A ALA 252.A N ALA 243.A O no hydrogen 3.407 N/A ALA 254.A N SER 241.A O no hydrogen 3.328 N/A THR 255.A N GLY 258.A O no hydrogen 2.497 N/A THR 255.A OG1 GLY 258.A O no hydrogen 2.432 N/A THR 257.A N THR 255.A OG1 no hydrogen 3.422 N/A THR 257.A OG1 ASP 237.A OD2 no hydrogen 2.330 N/A ILE 259.A N LEU 273.A O no hydrogen 3.114 N/A LYS 260.A NZ ALA 235.A O no hydrogen 3.398 N/A VAL 261.A N ASP 271.A O no hydrogen 3.154 N/A PHE 262.A N LEU 251.A O no hydrogen 2.552 N/A SER 263.A N TYR 268.A O no hydrogen 2.882 N/A SER 263.A OG PRO 266.A O no hydrogen 3.164 N/A LEU 264.A N TYR 249.A O no hydrogen 3.064 N/A TYR 268.A N SER 263.A O no hydrogen 2.925 N/A ASP 272.A N ASP 271.A OD1 no hydrogen 2.580 N/A LEU 273.A N ILE 259.A O no hydrogen 3.366 N/A ARG 274.A NH1 THR 257.A O no hydrogen 2.669 N/A ARG 274.A NH1 ASP 272.A OD1 no hydrogen 2.964 N/A ARG 274.A NH1 ASP 272.A OD2 no hydrogen 3.253 N/A ARG 274.A NH2 ASP 272.A OD2 no hydrogen 2.826 N/A SER 281.A OG TYR 280.A O no hydrogen 2.919 N/A ALA 284.A N SER 281.A O no hydrogen 3.223 N/A HIS 287.A N THR 305.A OG1 no hydrogen 3.176 N/A VAL 289.A N GLY 303.A O no hydrogen 2.582 N/A SER 290.A OG VAL 19.A O no hydrogen 2.562 N/A ALA 292.A N PHE 301.A O no hydrogen 3.127 N/A SER 294.A N THR 299.A O no hydrogen 2.894 N/A SER 294.A OG ASP 296.A OD1 no hydrogen 2.360 N/A ASP 296.A N SER 294.A OG no hydrogen 3.312 N/A LEU 300.A N TRP 312.A O no hydrogen 2.807 N/A PHE 301.A N ALA 292.A O no hydrogen 3.260 N/A ALA 302.A N ARG 310.A O no hydrogen 2.626 N/A GLY 303.A N SER 290.A O no hydrogen 2.359 N/A TYR 304.A N VAL 308.A O no hydrogen 3.182 N/A THR 305.A N HIS 287.A O no hydrogen 3.348 N/A ASN 307.A N TYR 304.A O no hydrogen 3.330 N/A VAL 308.A N ASP 306.A OD1 no hydrogen 3.109 N/A ILE 309.A N LEU 12.A O no hydrogen 3.125 N/A ARG 310.A N ALA 302.A O no hydrogen 2.796 N/A ARG 310.A NH1 ASP 306.A OD2 no hydrogen 2.632 N/A TRP 312.A N LEU 300.A O no hydrogen 2.797 N/A GLN 313.A N VAL 7.A O no hydrogen 3.073 N/A VAL 314.A N GLN 298.A O no hydrogen 3.130 N/A ALA 317.A N ASN 3.A O no hydrogen 3.051 N/A ASN 318.A ND2 ASN 318.A O no hydrogen 2.980 N/A