Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 PHE 4.A O no hydrogen 3.666 N/A TYR 5.A N VAL 16.A O no hydrogen 3.080 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.735 N/A SER 6.A OG THR 15.A OG1 no hydrogen 3.249 N/A VAL 7.A N PHE 14.A O no hydrogen 2.842 N/A ILE 9.A N SER 12.A O no hydrogen 2.682 N/A SER 12.A N ILE 9.A O no hydrogen 2.892 N/A THR 13.A OG1 GLU 8.A OE1 no hydrogen 2.620 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 3.069 N/A PHE 14.A N VAL 7.A O no hydrogen 2.888 N/A THR 15.A N TYR 99.A OH no hydrogen 2.728 N/A THR 15.A OG1 SER 6.A OG no hydrogen 3.249 N/A VAL 16.A N TYR 5.A O no hydrogen 2.904 N/A LYS 18.A N ASN 3.A O no hydrogen 3.360 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 3.342 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.447 N/A TYR 20.A N LEU 17.A O no hydrogen 2.799 N/A TYR 20.A OH ASN 84.A OD1 no hydrogen 2.903 N/A GLN 21.A N TYR 38.A O no hydrogen 2.799 N/A ILE 26.A N VAL 34.A O no hydrogen 3.301 N/A GLY 27.A N VAL 34.A O no hydrogen 3.485 N/A SER 28.A OG GLY 32.A O no hydrogen 3.143 N/A GLY 29.A N GLY 32.A O no hydrogen 2.972 N/A ALA 30.A N ASP 163.A OD1 no hydrogen 3.495 N/A ALA 30.A N ASP 163.A OD2 no hydrogen 2.716 N/A GLN 31.A NE2 HIS 60.A O no hydrogen 3.560 N/A VAL 34.A N ILE 48.A O no hydrogen 3.188 N/A CYS 35.A SG LYS 24.A O no hydrogen 3.001 N/A ALA 36.A N LYS 24.A O no hydrogen 2.735 N/A ALA 37.A N VAL 46.A O no hydrogen 2.826 N/A TYR 38.A N GLN 21.A O no hydrogen 2.776 N/A ASP 39.A N ARG 44.A O no hydrogen 3.229 N/A ALA 40.A N ARG 19.A O no hydrogen 2.733 N/A LEU 42.A N ASP 39.A OD1 no hydrogen 2.973 N/A ARG 44.A N ASP 39.A O no hydrogen 3.386 N/A VAL 46.A N ALA 37.A O no hydrogen 2.673 N/A ALA 47.A N MET 102.A O no hydrogen 2.882 N/A ILE 48.A N CYS 35.A O no hydrogen 2.658 N/A LYS 49.A N ILE 100.A O no hydrogen 2.679 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 2.615 N/A LYS 49.A NZ ASP 163.A OD1 no hydrogen 3.394 N/A LYS 50.A N ILE 33.A O no hydrogen 2.361 N/A LYS 50.A NZ THR 13.A O no hydrogen 3.108 N/A LYS 50.A NZ SER 52.A OG no hydrogen 3.168 N/A LEU 51.A N VAL 98.A O no hydrogen 2.831 N/A ARG 53.A NH1 GLN 96.A OE1 no hydrogen 3.420 N/A GLN 56.A N ARG 53.A O no hydrogen 2.731 N/A GLN 56.A NE2 ARG 53.A O no hydrogen 2.896 N/A ALA 61.A N ASN 57.A O no hydrogen 2.871 N/A LYS 62.A N GLN 58.A O no hydrogen 2.972 N/A ARG 63.A N THR 59.A O no hydrogen 2.960 N/A ALA 64.A N HIS 60.A O no hydrogen 2.782 N/A TYR 65.A N ALA 61.A O no hydrogen 2.913 N/A ARG 66.A N LYS 62.A O no hydrogen 3.150 N/A ARG 66.A NH1 GLY 165.A O no hydrogen 2.958 N/A GLU 67.A N ARG 63.A O no hydrogen 2.780 N/A LEU 68.A N ALA 64.A O no hydrogen 2.905 N/A VAL 69.A N TYR 65.A O no hydrogen 2.682 N/A LEU 70.A N ARG 66.A O no hydrogen 2.633 N/A MET 71.A N GLU 67.A O no hydrogen 2.745 N/A LYS 72.A N LEU 68.A O no hydrogen 2.979 N/A LYS 72.A N VAL 69.A O no hydrogen 3.263 N/A CYS 73.A N VAL 69.A O no hydrogen 3.255 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.167 N/A VAL 74.A N LEU 70.A O no hydrogen 3.065 N/A HIS 76.A NE2 ASN 78.A OD1 no hydrogen 2.790 N/A LYS 77.A NZ GLU 320.A OE2 no hydrogen 3.027 N/A ASN 78.A ND2 GLN 128.A OE1 no hydrogen 3.354 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 3.052 N/A ILE 79.A N HIS 76.A O no hydrogen 3.007 N/A ILE 80.A N ILE 161.A O no hydrogen 2.837 N/A GLY 81.A N GLU 103.A OE1 no hydrogen 2.380 N/A LEU 83.A N VAL 101.A O no hydrogen 2.768 N/A PHE 86.A N TYR 99.A O no hydrogen 3.010 N/A THR 87.A OG1 ASP 97.A O no hydrogen 3.226 N/A GLN 89.A N THR 87.A OG1 no hydrogen 3.066 N/A LYS 90.A N GLU 94.A OE1 no hydrogen 3.027 N/A GLU 94.A N SER 91.A OG no hydrogen 3.041 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 2.513 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 2.626 N/A VAL 98.A N LEU 51.A O no hydrogen 2.936 N/A TYR 99.A N PHE 86.A O no hydrogen 2.814 N/A ILE 100.A N LYS 49.A O no hydrogen 2.980 N/A VAL 101.A N ASN 84.A O no hydrogen 2.736 N/A MET 102.A N ALA 47.A O no hydrogen 2.779 N/A GLU 103.A N GLY 81.A O no hydrogen 3.217 N/A ASP 106.A N VAL 153.A O no hydrogen 2.855 N/A ALA 107.A N VAL 153.A O no hydrogen 3.239 N/A ASN 108.A ND2 SER 149.A O no hydrogen 3.473 N/A LEU 109.A N ILE 151.A O no hydrogen 2.734 N/A SER 110.A N ASN 108.A OD1 no hydrogen 3.249 N/A GLN 111.A NE2 SER 110.A OG no hydrogen 3.075 N/A ILE 113.A N LEU 109.A O no hydrogen 3.090 N/A HIS 119.A ND1 TYR 311.A OH no hydrogen 2.869 N/A ARG 121.A N ASP 118.A OD2 no hydrogen 3.268 N/A ARG 121.A NE ASP 118.A OD1 no hydrogen 2.912 N/A MET 122.A N ASP 118.A O no hydrogen 3.102 N/A SER 123.A N HIS 119.A O no hydrogen 2.805 N/A SER 123.A OG TYR 311.A O no hydrogen 2.570 N/A TYR 124.A N GLU 120.A O no hydrogen 2.925 N/A LEU 125.A N ARG 121.A O no hydrogen 2.943 N/A LEU 126.A N MET 122.A O no hydrogen 2.915 N/A TYR 127.A N SER 123.A O no hydrogen 2.837 N/A TYR 127.A OH GLU 320.A OE1 no hydrogen 2.811 N/A GLN 128.A N TYR 124.A O no hydrogen 2.943 N/A GLN 128.A NE2 CYS 157.A O no hydrogen 2.712 N/A MET 129.A N LEU 125.A O no hydrogen 2.986 N/A LEU 130.A N LEU 126.A O no hydrogen 2.785 N/A CYS 131.A N TYR 127.A O no hydrogen 2.995 N/A CYS 131.A SG TYR 127.A O no hydrogen 3.276 N/A GLY 132.A N GLN 128.A O no hydrogen 2.845 N/A ILE 133.A N MET 129.A O no hydrogen 2.845 N/A LYS 134.A N LEU 130.A O no hydrogen 2.605 N/A LYS 134.A NZ ASP 304.A OD1 no hydrogen 3.210 N/A LYS 134.A NZ ALA 321.A O no hydrogen 3.130 N/A HIS 135.A N CYS 131.A O no hydrogen 2.714 N/A LEU 136.A N GLY 132.A O no hydrogen 3.322 N/A HIS 137.A N ILE 133.A O no hydrogen 3.019 N/A HIS 137.A NE2 ASP 198.A OD2 no hydrogen 2.940 N/A SER 138.A N LYS 134.A O no hydrogen 2.777 N/A SER 138.A OG HIS 135.A O no hydrogen 2.797 N/A ALA 139.A N LEU 136.A O no hydrogen 3.273 N/A GLY 140.A N HIS 137.A O no hydrogen 2.510 N/A ILE 141.A N LEU 136.A O no hydrogen 3.077 N/A ILE 142.A N ARG 168.A O no hydrogen 2.628 N/A HIS 143.A N ASP 198.A OD2 no hydrogen 3.080 N/A ARG 144.A N ASP 198.A OD1 no hydrogen 3.077 N/A ARG 144.A NE LEU 166.A O no hydrogen 3.207 N/A ASP 145.A N HIS 143.A O no hydrogen 2.730 N/A LYS 147.A NZ ASP 145.A OD2 no hydrogen 2.947 N/A LYS 147.A NZ THR 179.A OG1 no hydrogen 2.721 N/A ASN 150.A N LYS 147.A O no hydrogen 2.713 N/A ASN 150.A ND2 ASP 145.A O no hydrogen 2.723 N/A ILE 151.A N PRO 148.A O no hydrogen 2.790 N/A VAL 152.A N LYS 160.A O no hydrogen 3.023 N/A VAL 153.A N ALA 107.A O no hydrogen 2.697 N/A LYS 154.A N THR 158.A O no hydrogen 2.869 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.838 N/A CYS 157.A N LYS 154.A O no hydrogen 2.989 N/A THR 158.A N ASP 156.A OD1 no hydrogen 2.852 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.565 N/A THR 158.A OG1 ASP 156.A OD2 no hydrogen 3.564 N/A LYS 160.A N VAL 152.A O no hydrogen 2.854 N/A LYS 160.A NZ LYS 77.A O no hydrogen 3.138 N/A LYS 160.A NZ GLU 103.A OE2 no hydrogen 3.502 N/A ILE 161.A N ASN 78.A O no hydrogen 2.664 N/A PHE 164.A N GLU 67.A OE2 no hydrogen 3.474 N/A GLY 165.A N ASP 163.A OD1 no hydrogen 3.480 N/A ALA 167.A N PHE 164.A O no hydrogen 2.848 N/A ARG 168.A N ILE 142.A O no hydrogen 3.054 N/A THR 169.A N ASP 334.A OD1 no hydrogen 3.164 N/A THR 169.A OG1 ASP 334.A OD1 no hydrogen 3.305 N/A GLY 171.A N TYR 193.A O no hydrogen 2.943 N/A THR 172.A OG1 GLY 171.A O no hydrogen 2.598 N/A SER 173.A OG THR 172.A O no hydrogen 2.399 N/A TYR 176.A N THR 174.A OG1 no hydrogen 3.413 N/A THR 179.A N ASP 145.A OD1 no hydrogen 2.994 N/A THR 179.A OG1 ASP 145.A OD1 no hydrogen 3.247 N/A THR 179.A OG1 ASP 145.A OD2 no hydrogen 3.550 N/A ARG 180.A NE GLY 218.A O no hydrogen 2.893 N/A ARG 180.A NH2 GLY 218.A O no hydrogen 3.520 N/A TYR 182.A N THR 179.A O no hydrogen 2.830 N/A TYR 182.A OH GLU 208.A OE1 no hydrogen 2.722 N/A TYR 182.A OH GLU 208.A OE2 no hydrogen 2.911 N/A ARG 183.A NH1 VAL 178.A O no hydrogen 2.274 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.567 N/A ILE 188.A N ALA 184.A O no hydrogen 2.854 N/A LEU 189.A N PRO 185.A O no hydrogen 2.662 N/A GLY 190.A N VAL 187.A O no hydrogen 3.383 N/A MET 191.A N GLU 186.A O no hydrogen 2.767 N/A ASN 196.A ND2 ALA 297.A O no hydrogen 2.875 N/A VAL 197.A N LYS 194.A O no hydrogen 2.718 N/A ASP 198.A N GLU 195.A O no hydrogen 2.838 N/A TRP 200.A N ASN 196.A O no hydrogen 3.154 N/A SER 201.A N VAL 197.A O no hydrogen 3.484 N/A SER 201.A OG TYR 182.A O no hydrogen 3.200 N/A VAL 202.A N ASP 198.A O no hydrogen 2.794 N/A GLY 203.A N ILE 199.A O no hydrogen 2.942 N/A CYS 204.A N TRP 200.A O no hydrogen 3.115 N/A CYS 204.A SG TRP 200.A O no hydrogen 3.102 N/A ILE 205.A N SER 201.A O no hydrogen 2.884 N/A MET 206.A N VAL 202.A O no hydrogen 2.752 N/A GLY 207.A N GLY 203.A O no hydrogen 2.680 N/A GLU 208.A N CYS 204.A O no hydrogen 2.907 N/A MET 209.A N ILE 205.A O no hydrogen 2.946 N/A ILE 210.A N MET 206.A O no hydrogen 3.064 N/A LYS 211.A N GLY 207.A O no hydrogen 2.722 N/A LYS 211.A N GLU 208.A O no hydrogen 3.129 N/A LYS 211.A NZ VAL 214.A O no hydrogen 3.523 N/A LYS 211.A NZ LEU 215.A O no hydrogen 3.243 N/A GLY 212.A N GLU 208.A O no hydrogen 2.607 N/A THR 219.A N ASP 223.A OD2 no hydrogen 2.797 N/A THR 219.A OG1 ASP 223.A OD2 no hydrogen 2.651 N/A ASP 223.A N ASP 220.A OD1 no hydrogen 2.450 N/A GLN 224.A N ASP 220.A O no hydrogen 2.836 N/A TRP 225.A N ILE 222.A O no hydrogen 3.107 N/A ASN 226.A ND2 ASP 223.A OD1 no hydrogen 3.308 N/A LYS 227.A N ASP 223.A O no hydrogen 3.160 N/A LYS 227.A NZ ASP 223.A OD1 no hydrogen 3.501 N/A VAL 228.A N GLN 224.A O no hydrogen 3.018 N/A ILE 229.A N TRP 225.A O no hydrogen 3.019 N/A GLU 230.A N ASN 226.A O no hydrogen 2.620 N/A GLN 231.A N VAL 228.A O no hydrogen 3.120 N/A LEU 232.A N VAL 228.A O no hydrogen 2.918 N/A GLY 233.A N ILE 229.A O no hydrogen 2.601 N/A THR 234.A N TYR 257.A O no hydrogen 2.765 N/A THR 234.A OG1 TYR 257.A O no hydrogen 3.562 N/A PHE 239.A N SER 236.A O no hydrogen 2.813 N/A PHE 239.A N SER 236.A OG no hydrogen 3.023 N/A MET 240.A N SER 236.A O no hydrogen 3.099 N/A LYS 241.A N PRO 237.A O no hydrogen 3.078 N/A LYS 242.A N PHE 239.A O no hydrogen 2.742 N/A LEU 243.A N MET 240.A O no hydrogen 2.576 N/A ARG 248.A N GLN 244.A O no hydrogen 2.721 N/A ARG 248.A NH1 GLU 252.A OE2 no hydrogen 2.918 N/A THR 249.A N PRO 245.A O no hydrogen 2.811 N/A THR 249.A OG1 PRO 245.A O no hydrogen 2.793 N/A VAL 251.A N VAL 247.A O no hydrogen 3.013 N/A GLU 252.A N ARG 248.A O no hydrogen 2.898 N/A ASN 253.A N THR 249.A O no hydrogen 2.756 N/A ASN 253.A ND2 THR 249.A O no hydrogen 2.808 N/A ARG 254.A N VAL 251.A O no hydrogen 2.694 N/A ARG 254.A NH2 ASN 226.A OD1 no hydrogen 3.283 N/A LYS 256.A NZ GLU 252.A O no hydrogen 2.620 N/A TYR 257.A N THR 234.A OG1 no hydrogen 2.737 N/A LYS 264.A N SER 261.A OG no hydrogen 3.095 N/A LEU 265.A N SER 261.A O no hydrogen 2.463 N/A LEU 270.A N PRO 267.A O no hydrogen 3.092 N/A PHE 271.A N ASP 268.A O no hydrogen 2.776 N/A SER 275.A OG ASN 278.A O no hydrogen 3.075 N/A LYS 279.A NZ ASN 313.A OD1 no hydrogen 3.086 N/A ALA 282.A N ASP 274.A OD1 no hydrogen 2.981 N/A GLN 284.A N LYS 281.A O no hydrogen 2.750 N/A ALA 285.A N LYS 281.A O no hydrogen 3.049 N/A ARG 286.A N ALA 282.A O no hydrogen 3.404 N/A ARG 286.A NE PHE 266.A O no hydrogen 2.908 N/A ARG 286.A NH2 PHE 266.A O no hydrogen 3.214 N/A ARG 286.A NH2 ASP 268.A OD1 no hydrogen 2.403 N/A ASP 287.A N SER 283.A O no hydrogen 2.904 N/A LEU 288.A N GLN 284.A O no hydrogen 3.088 N/A LEU 289.A N ALA 285.A O no hydrogen 2.777 N/A SER 290.A N ARG 286.A O no hydrogen 2.747 N/A SER 290.A OG ASP 287.A O no hydrogen 2.517 N/A LYS 291.A N LEU 288.A O no hydrogen 2.739 N/A LYS 291.A NZ ASP 287.A OD2 no hydrogen 3.208 N/A MET 292.A N LEU 288.A O no hydrogen 3.009 N/A MET 292.A N LEU 289.A O no hydrogen 3.103 N/A LEU 293.A N LEU 289.A O no hydrogen 2.849 N/A VAL 294.A N MET 292.A O no hydrogen 2.836 N/A SER 298.A N ASP 296.A OD1 no hydrogen 3.428 N/A LYS 299.A N ASP 296.A O no hydrogen 2.824 N/A ARG 300.A NE VAL 294.A O no hydrogen 2.833 N/A ARG 300.A NH1 GLU 186.A OE2 no hydrogen 2.936 N/A ARG 300.A NH1 ASN 196.A O no hydrogen 2.999 N/A ARG 300.A NH2 GLU 186.A OE1 no hydrogen 2.800 N/A ARG 300.A NH2 GLU 186.A OE2 no hydrogen 3.085 N/A ARG 300.A NH2 VAL 294.A O no hydrogen 3.192 N/A ARG 300.A NH2 ILE 295.A O no hydrogen 3.468 N/A ILE 301.A N LYS 291.A O no hydrogen 3.278 N/A SER 302.A N GLU 305.A OE1 no hydrogen 3.026 N/A GLU 305.A N SER 302.A OG no hydrogen 3.030 N/A ALA 306.A N SER 302.A O no hydrogen 2.741 N/A LEU 307.A N VAL 303.A O no hydrogen 2.553 N/A GLN 308.A N ASP 304.A O no hydrogen 2.925 N/A HIS 309.A N ALA 306.A O no hydrogen 3.280 N/A HIS 309.A NE2 GLN 284.A O no hydrogen 3.023 N/A TYR 311.A OH HIS 119.A ND1 no hydrogen 2.869 N/A ILE 312.A N HIS 309.A O no hydrogen 2.767 N/A ASN 313.A N HIS 309.A O no hydrogen 2.927 N/A TRP 315.A N ILE 312.A O no hydrogen 3.151 N/A TRP 315.A NE1 SER 123.A OG no hydrogen 2.864 N/A TYR 316.A N ASN 313.A O no hydrogen 2.748 N/A TYR 316.A OH GLU 322.A OE1 no hydrogen 2.396 N/A ASP 317.A N TYR 127.A OH no hydrogen 2.811 N/A SER 319.A N ASP 317.A OD1 no hydrogen 2.539 N/A SER 319.A OG ASP 317.A OD1 no hydrogen 3.090 N/A SER 319.A OG ASP 317.A OD2 no hydrogen 3.468 N/A GLU 320.A N ASP 317.A O no hydrogen 2.807 N/A ALA 321.A N ASP 317.A O no hydrogen 2.797 N/A GLU 322.A N PRO 318.A O no hydrogen 2.861 N/A GLN 332.A N PRO 329.A O no hydrogen 3.096 N/A GLU 335.A N LEU 333.A O no hydrogen 2.553 N/A TRP 343.A N THR 339.A O no hydrogen 2.934 N/A TRP 343.A NE1 GLN 58.A OE1 no hydrogen 3.216 N/A LYS 344.A N ILE 340.A O no hydrogen 3.239 N/A LYS 344.A NZ GLU 93.A O no hydrogen 3.021 N/A LYS 344.A NZ PHE 95.A O no hydrogen 3.426 N/A GLU 345.A N GLU 341.A O no hydrogen 3.000 N/A LEU 346.A N GLU 342.A O no hydrogen 2.901 N/A ILE 347.A N TRP 343.A O no hydrogen 2.902 N/A TYR 348.A N LYS 344.A O no hydrogen 3.167 N/A LYS 349.A N GLU 345.A O no hydrogen 3.173 N/A GLU 350.A N LEU 346.A O no hydrogen 3.022 N/A VAL 351.A N ILE 347.A O no hydrogen 2.623 N/A MET 352.A N TYR 348.A O no hydrogen 2.739 N/A ASP 353.A N LYS 349.A O no hydrogen 2.644 N/A LEU 354.A N GLU 350.A O no hydrogen 3.339 N/A GLU 355.A N VAL 351.A O no hydrogen 2.871 N/A GLU 355.A N MET 352.A O no hydrogen 3.316 N/A