Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ule_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 320.A OD2 no hydrogen 2.527 N/A HIS 3.A N MET 323.A O no hydrogen 2.954 N/A SER 4.A OG LEU 6.A O no hydrogen 3.550 N/A PHE 5.A N GLY 321.A O no hydrogen 3.015 N/A ILE 10.A N GLY 318.A O no hydrogen 3.124 N/A SER 11.A N CYS 25.A O no hydrogen 2.980 N/A CYS 12.A SG THR 55.A O no hydrogen 2.994 N/A HIS 13.A ND1 THR 317.A OG1 no hydrogen 2.786 N/A HIS 13.A NE2 SER 302.A OG no hydrogen 2.700 N/A ASN 16.A N GLN 21.A O no hydrogen 3.290 N/A LYS 17.A NZ ASP 62.A OD1 no hydrogen 2.689 N/A ARG 19.A N ASN 16.A O no hydrogen 3.273 N/A ARG 19.A NE LEU 304.A O no hydrogen 2.709 N/A ARG 19.A NH1 ASN 16.A O no hydrogen 2.974 N/A THR 20.A N ASN 16.A OD1 no hydrogen 2.830 N/A GLN 21.A N ASN 16.A OD1 no hydrogen 3.244 N/A ILE 22.A N TYR 34.A O no hydrogen 2.839 N/A ALA 23.A N ALA 14.A O no hydrogen 2.750 N/A ILE 24.A N HIS 32.A O no hydrogen 2.882 N/A CYS 25.A N CYS 12.A O no hydrogen 3.117 N/A CYS 25.A SG ASN 28.A O no hydrogen 3.332 N/A CYS 25.A SG GLU 30.A O no hydrogen 3.441 N/A CYS 25.A SG VAL 54.A O no hydrogen 3.673 N/A GLU 30.A N ASN 28.A OD1 no hydrogen 2.743 N/A VAL 31.A N LEU 47.A O no hydrogen 3.269 N/A HIS 32.A N ILE 24.A O no hydrogen 2.847 N/A ILE 33.A N HIS 45.A O no hydrogen 3.056 N/A TYR 34.A N ILE 22.A O no hydrogen 2.817 N/A GLU 35.A N VAL 42.A O no hydrogen 2.859 N/A LYS 36.A N THR 20.A O no hydrogen 3.147 N/A SER 37.A N LYS 40.A O no hydrogen 2.899 N/A LYS 40.A N SER 37.A O no hydrogen 3.056 N/A VAL 42.A N GLU 35.A O no hydrogen 2.909 N/A GLN 43.A NE2 HIS 45.A O no hydrogen 3.670 N/A VAL 44.A N ILE 33.A O no hydrogen 2.831 N/A HIS 45.A N ILE 33.A O no hydrogen 3.463 N/A LEU 47.A N VAL 31.A O no hydrogen 2.837 N/A HIS 50.A ND1 ASP 72.A OD1 no hydrogen 3.359 N/A HIS 50.A ND1 ASP 72.A OD2 no hydrogen 3.180 N/A HIS 50.A NE2 THR 68.A OG1 no hydrogen 2.625 N/A ASN 51.A N ASP 72.A OD2 no hydrogen 2.636 N/A GLN 53.A NE2 ASN 27.A O no hydrogen 3.059 N/A GLN 53.A NE2 ASN 27.A OD1 no hydrogen 3.179 N/A VAL 54.A N ASN 28.A O no hydrogen 3.093 N/A THR 55.A N CYS 69.A O no hydrogen 2.706 N/A THR 55.A OG1 CYS 69.A O no hydrogen 3.143 N/A THR 55.A OG1 ALA 98.A O no hydrogen 2.881 N/A GLY 56.A N CYS 69.A O no hydrogen 3.088 N/A ASP 58.A N VAL 67.A O no hydrogen 3.139 N/A ALA 60.A N ARG 65.A O no hydrogen 2.775 N/A ASP 62.A N GLU 107.A OE2 no hydrogen 2.773 N/A SER 63.A N GLU 107.A OE1 no hydrogen 2.611 N/A SER 63.A OG GLU 107.A OE1 no hydrogen 2.713 N/A ASN 64.A N PRO 61.A O no hydrogen 3.297 N/A ARG 65.A NE SER 63.A OG no hydrogen 3.095 N/A ILE 66.A N TRP 78.A O no hydrogen 3.232 N/A VAL 67.A N ASP 58.A O no hydrogen 3.024 N/A THR 68.A N TYR 76.A O no hydrogen 3.062 N/A THR 68.A OG1 HIS 50.A NE2 no hydrogen 2.625 N/A CYS 69.A SG THR 55.A OG1 no hydrogen 3.324 N/A GLY 70.A N ASN 74.A O no hydrogen 3.215 N/A THR 71.A N GLN 53.A O no hydrogen 2.798 N/A ARG 73.A N GLY 70.A O no hydrogen 3.154 N/A ARG 73.A NE ILE 94.A O no hydrogen 3.291 N/A ARG 73.A NH2 ILE 94.A O no hydrogen 3.288 N/A ASN 74.A N ASP 72.A OD1 no hydrogen 2.969 N/A TYR 76.A N THR 68.A O no hydrogen 2.974 N/A VAL 77.A N THR 88.A O no hydrogen 2.970 N/A TRP 78.A N ILE 66.A O no hydrogen 2.691 N/A TRP 78.A NE1 THR 68.A OG1 no hydrogen 3.088 N/A THR 79.A N LYS 86.A O no hydrogen 2.989 N/A LYS 81.A N THR 84.A O no hydrogen 3.075 N/A THR 84.A N LYS 81.A O no hydrogen 3.419 N/A LYS 86.A N THR 79.A O no hydrogen 2.969 N/A THR 88.A N VAL 77.A O no hydrogen 2.774 N/A VAL 90.A N ALA 75.A O no hydrogen 3.080 N/A ARG 93.A NH2 CYS 133.A O no hydrogen 3.010 N/A ASN 95.A N SER 116.A OG no hydrogen 3.195 N/A ARG 96.A NH1 ASN 95.A O no hydrogen 2.740 N/A ALA 98.A N GLY 70.A O no hydrogen 3.207 N/A ARG 99.A N GLY 113.A O no hydrogen 2.710 N/A ARG 99.A NH1 ARG 99.A O no hydrogen 2.842 N/A CYS 100.A N GLY 113.A O no hydrogen 3.338 N/A CYS 100.A SG VAL 144.A O no hydrogen 3.762 N/A CYS 100.A SG LEU 145.A O no hydrogen 3.395 N/A ARG 102.A N ALA 111.A O no hydrogen 3.000 N/A ARG 102.A NH1 VAL 101.A O no hydrogen 2.493 N/A TRP 103.A N ASP 58.A OD2 no hydrogen 2.845 N/A ALA 104.A N LYS 109.A O no hydrogen 2.944 N/A ASN 106.A N SER 153.A OG no hydrogen 2.708 N/A GLU 107.A N ALA 104.A O no hydrogen 3.046 N/A LYS 108.A NZ VAL 175.A O no hydrogen 3.132 N/A LYS 109.A NZ SER 153.A O no hydrogen 2.724 N/A LYS 109.A NZ ALA 170.A O no hydrogen 3.206 N/A LYS 109.A NZ GLU 176.A OE1 no hydrogen 2.877 N/A PHE 110.A N CYS 122.A O no hydrogen 3.019 N/A ALA 111.A N ARG 102.A O no hydrogen 2.903 N/A VAL 112.A N SER 120.A O no hydrogen 3.105 N/A GLY 113.A N CYS 100.A O no hydrogen 2.918 N/A SER 114.A N VAL 118.A O no hydrogen 3.328 N/A GLY 115.A N ALA 97.A O no hydrogen 2.852 N/A SER 116.A N SER 114.A OG no hydrogen 3.139 N/A SER 116.A OG ASN 95.A OD1 no hydrogen 2.848 N/A ARG 117.A N SER 114.A O no hydrogen 3.296 N/A ARG 117.A NE ARG 141.A O no hydrogen 3.279 N/A ILE 119.A N ILE 136.A O no hydrogen 3.004 N/A SER 120.A N VAL 112.A O no hydrogen 2.831 N/A ILE 121.A N LYS 134.A O no hydrogen 2.978 N/A CYS 122.A N PHE 110.A O no hydrogen 2.719 N/A CYS 122.A SG SER 120.A O no hydrogen 3.443 N/A TYR 123.A N VAL 132.A O no hydrogen 3.306 N/A GLU 125.A N TRP 130.A O no hydrogen 2.983 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 3.167 N/A TRP 130.A N GLU 125.A O no hydrogen 3.272 N/A VAL 132.A N TYR 123.A O no hydrogen 3.023 N/A CYS 133.A SG ILE 91.A O no hydrogen 3.707 N/A CYS 133.A SG LEU 92.A O no hydrogen 3.583 N/A CYS 133.A SG HIS 135.A NE2 no hydrogen 3.956 N/A LYS 134.A N ILE 121.A O no hydrogen 2.988 N/A HIS 135.A NE2 LEU 92.A O no hydrogen 2.699 N/A ILE 136.A N ILE 119.A O no hydrogen 2.822 N/A LYS 137.A NZ ARG 117.A O no hydrogen 2.630 N/A ILE 140.A N LYS 137.A O no hydrogen 2.893 N/A ARG 141.A N ASP 162.A OD2 no hydrogen 3.292 N/A ARG 141.A NH1 PRO 139.A O no hydrogen 3.540 N/A VAL 144.A N SER 114.A O no hydrogen 3.276 N/A LEU 145.A N GLY 159.A O no hydrogen 2.690 N/A SER 146.A N GLY 159.A O no hydrogen 3.315 N/A SER 146.A OG HIS 205.A O no hydrogen 3.190 N/A ASP 148.A N ALA 157.A O no hydrogen 3.058 N/A TRP 149.A NE1 ARG 102.A O no hydrogen 2.916 N/A HIS 150.A N LEU 155.A O no hydrogen 2.826 N/A ASN 152.A N HIS 150.A ND1 no hydrogen 2.727 N/A SER 153.A N HIS 150.A O no hydrogen 2.946 N/A VAL 154.A N ASN 152.A OD1 no hydrogen 2.606 N/A LEU 155.A N ASN 152.A OD1 no hydrogen 3.031 N/A LEU 156.A N PHE 168.A O no hydrogen 2.754 N/A ALA 157.A N ASP 148.A O no hydrogen 2.853 N/A ALA 158.A N ARG 166.A O no hydrogen 2.711 N/A GLY 159.A N SER 146.A O no hydrogen 3.082 N/A SER 160.A N LYS 164.A O no hydrogen 3.206 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.560 N/A CYS 161.A N THR 143.A O no hydrogen 2.913 N/A CYS 161.A SG THR 143.A O no hydrogen 3.866 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 3.236 N/A LYS 164.A NZ SER 197.A O no hydrogen 2.987 N/A LYS 164.A NZ SER 199.A O no hydrogen 2.934 N/A CYS 165.A N SER 197.A OG no hydrogen 2.985 N/A ARG 166.A N ALA 158.A O no hydrogen 2.783 N/A ARG 166.A NE GLU 196.A OE2 no hydrogen 2.481 N/A ARG 166.A NH1 ASP 162.A OD2 no hydrogen 2.914 N/A ARG 166.A NH2 ASP 162.A OD2 no hydrogen 2.746 N/A ILE 167.A N PHE 195.A O no hydrogen 2.983 N/A PHE 168.A N LEU 156.A O no hydrogen 2.682 N/A SER 169.A N GLU 192.A O no hydrogen 2.965 N/A SER 169.A OG MET 188.A O no hydrogen 2.550 N/A SER 169.A OG PRO 189.A O no hydrogen 3.318 N/A ALA 170.A N VAL 154.A O no hydrogen 2.763 N/A ILE 172.A N GLU 176.A OE1 no hydrogen 3.224 N/A VAL 175.A N ILE 172.A O no hydrogen 3.118 N/A THR 182.A N GLY 185.A O no hydrogen 3.212 N/A TRP 184.A NE1 GLY 213.A O no hydrogen 2.617 N/A GLY 185.A N THR 182.A O no hydrogen 2.790 N/A GLY 191.A N SER 169.A O no hydrogen 2.890 N/A GLU 192.A N PRO 189.A O no hydrogen 2.940 N/A MET 194.A N ILE 167.A O no hydrogen 2.808 N/A PHE 195.A N ILE 167.A O no hydrogen 3.394 N/A SER 197.A N CYS 165.A O no hydrogen 2.929 N/A SER 197.A OG CYS 165.A O no hydrogen 3.567 N/A SER 199.A OG CYS 201.A O no hydrogen 3.033 N/A VAL 204.A N SER 160.A O no hydrogen 3.324 N/A HIS 205.A N VAL 219.A O no hydrogen 3.046 N/A HIS 205.A NE2 HIS 221.A ND1 no hydrogen 2.921 N/A CYS 208.A N ALA 217.A O no hydrogen 2.671 N/A CYS 208.A SG PHE 209.A O no hydrogen 3.342 N/A CYS 208.A SG THR 250.A OG1 no hydrogen 3.561 N/A PHE 209.A N ASP 148.A OD2 no hydrogen 2.840 N/A SER 210.A N ARG 215.A O no hydrogen 2.750 N/A SER 210.A OG ARG 215.A O no hydrogen 3.335 N/A SER 210.A OG GLU 254.A OE1 no hydrogen 2.988 N/A ASN 212.A N GLU 254.A OE2 no hydrogen 2.878 N/A GLY 213.A N SER 210.A O no hydrogen 2.899 N/A SER 214.A N ASN 212.A OD1 no hydrogen 3.136 N/A SER 214.A OG ASN 212.A OD1 no hydrogen 2.561 N/A ARG 215.A N SER 210.A OG no hydrogen 3.305 N/A ARG 215.A NH1 GLU 254.A O no hydrogen 2.601 N/A ARG 215.A NH1 SER 255.A OG no hydrogen 2.886 N/A VAL 216.A N ALA 228.A O no hydrogen 3.229 N/A ALA 217.A N CYS 208.A O no hydrogen 2.650 N/A TRP 218.A N CYS 226.A O no hydrogen 2.991 N/A VAL 219.A N GLY 206.A O no hydrogen 3.016 N/A SER 220.A N THR 224.A O no hydrogen 3.124 N/A HIS 221.A N TRP 203.A O no hydrogen 2.814 N/A HIS 221.A ND1 HIS 205.A NE2 no hydrogen 2.921 N/A SER 223.A OG THR 243.A O no hydrogen 2.723 N/A THR 224.A OG1 ASP 222.A OD1 no hydrogen 2.578 N/A THR 224.A OG1 ASP 222.A OD2 no hydrogen 3.314 N/A VAL 225.A N LEU 239.A O no hydrogen 3.129 N/A CYS 226.A N TRP 218.A O no hydrogen 2.928 N/A CYS 226.A SG THR 238.A OG1 no hydrogen 3.714 N/A LEU 227.A N ALA 237.A O no hydrogen 3.217 N/A ALA 228.A N VAL 216.A O no hydrogen 2.804 N/A ASP 229.A N ALA 235.A O no hydrogen 2.948 N/A ALA 230.A N SER 214.A O no hydrogen 2.931 N/A ASP 231.A N ASP 229.A OD1 no hydrogen 2.965 N/A LYS 232.A N ASP 229.A O no hydrogen 3.064 N/A LYS 232.A NZ SER 273.A O no hydrogen 3.249 N/A ALA 235.A N LYS 232.A O no hydrogen 3.119 N/A ALA 237.A N LEU 227.A O no hydrogen 2.947 N/A LEU 239.A N VAL 225.A O no hydrogen 3.143 N/A SER 241.A N SER 223.A O no hydrogen 2.798 N/A THR 243.A N SER 241.A OG no hydrogen 2.874 N/A THR 243.A OG1 SER 241.A OG no hydrogen 3.093 N/A THR 243.A OG1 ASP 263.A OD2 no hydrogen 2.573 N/A LEU 244.A N ASP 263.A OD1 no hydrogen 3.136 N/A LEU 247.A N ALA 260.A O no hydrogen 2.778 N/A ALA 248.A N ALA 260.A O no hydrogen 2.961 N/A THR 250.A N VAL 258.A O no hydrogen 3.041 N/A THR 250.A OG1 PHE 251.A O no hydrogen 3.147 N/A ILE 252.A N SER 256.A O no hydrogen 2.925 N/A SER 255.A N THR 253.A OG1 no hydrogen 3.085 N/A SER 256.A N THR 253.A O no hydrogen 3.397 N/A SER 256.A OG THR 253.A OG1 no hydrogen 3.350 N/A LEU 257.A N PHE 269.A O no hydrogen 2.768 N/A VAL 258.A N THR 250.A O no hydrogen 2.880 N/A ALA 259.A N VAL 267.A O no hydrogen 3.200 N/A ALA 260.A N ALA 248.A O no hydrogen 2.988 N/A HIS 262.A N PRO 245.A O no hydrogen 3.113 N/A HIS 262.A ND1 SER 297.A OG no hydrogen 2.701 N/A CYS 264.A N GLY 261.A O no hydrogen 2.810 N/A CYS 264.A SG HIS 262.A O no hydrogen 3.656 N/A VAL 267.A N ALA 259.A O no hydrogen 2.938 N/A LEU 268.A N GLY 282.A O no hydrogen 2.868 N/A PHE 269.A N LEU 257.A O no hydrogen 2.896 N/A THR 270.A N SER 279.A O no hydrogen 3.114 N/A TYR 271.A N SER 255.A O no hydrogen 2.835 N/A TYR 271.A OH ASP 229.A OD2 no hydrogen 2.853 N/A ASP 272.A N LYS 277.A O no hydrogen 2.757 N/A ALA 275.A N ASP 272.A OD1 no hydrogen 2.784 N/A GLY 276.A N ASP 272.A O no hydrogen 2.615 N/A LYS 277.A N ASP 272.A O no hydrogen 3.436 N/A SER 279.A N THR 270.A O no hydrogen 2.916 N/A GLY 281.A N LEU 268.A O no hydrogen 2.598 N/A ARG 283.A NH1 ASP 285.A O no hydrogen 2.820 N/A ARG 283.A NH1 ASP 291.A OD1 no hydrogen 3.498 N/A ARG 283.A NH2 ASP 291.A OD1 no hydrogen 3.011 N/A ARG 283.A NH2 ASP 291.A OD2 no hydrogen 2.960 N/A LEU 284.A N PRO 266.A O no hydrogen 2.867 N/A SER 292.A OG HIS 294.A O no hydrogen 2.674 N/A LEU 293.A N ASP 285.A OD2 no hydrogen 2.763 N/A HIS 294.A ND1 ASP 320.A OD1 no hydrogen 3.206 N/A HIS 294.A NE2 THR 316.A OG1 no hydrogen 2.841 N/A LYS 295.A N ASP 320.A OD2 no hydrogen 3.066 N/A LYS 295.A NZ SER 292.A O no hydrogen 2.731 N/A LYS 295.A NZ LEU 293.A O no hydrogen 3.196 N/A SER 297.A N ASN 296.A OD1 no hydrogen 2.616 N/A SER 297.A OG HIS 262.A ND1 no hydrogen 2.701 N/A SER 297.A OG ASN 296.A OD1 no hydrogen 3.296 N/A VAL 298.A N GLY 261.A O no hydrogen 3.212 N/A SER 299.A N THR 317.A O no hydrogen 3.067 N/A GLN 300.A N THR 317.A O no hydrogen 3.371 N/A SER 302.A N CYS 315.A O no hydrogen 2.873 N/A SER 302.A OG HIS 13.A NE2 no hydrogen 2.700 N/A LEU 304.A N GLN 313.A O no hydrogen 2.924 N/A SER 305.A N GLN 313.A O no hydrogen 3.411 N/A SER 305.A OG SER 312.A OG no hydrogen 2.778 N/A LYS 308.A NZ PHE 209.A O no hydrogen 2.842 N/A LYS 310.A N GLY 306.A O no hydrogen 3.099 N/A CYS 311.A N ILE 252.A O no hydrogen 2.899 N/A CYS 311.A SG SER 305.A O no hydrogen 3.893 N/A CYS 311.A SG GLN 313.A O no hydrogen 3.096 N/A SER 312.A N SER 305.A O no hydrogen 2.835 N/A SER 312.A OG SER 305.A O no hydrogen 3.315 N/A SER 312.A OG SER 305.A OG no hydrogen 2.778 N/A GLN 313.A NE2 ASP 327.A OD2 no hydrogen 3.430 N/A PHE 314.A N TRP 326.A O no hydrogen 2.855 N/A CYS 315.A N SER 302.A O no hydrogen 2.711 N/A CYS 315.A SG HIS 13.A NE2 no hydrogen 3.856 N/A CYS 315.A SG SER 324.A O no hydrogen 3.966 N/A THR 316.A N SER 324.A O no hydrogen 2.988 N/A THR 316.A OG1 HIS 294.A NE2 no hydrogen 2.841 N/A THR 317.A N GLN 300.A O no hydrogen 3.090 N/A THR 317.A OG1 HIS 13.A ND1 no hydrogen 2.786 N/A GLY 318.A N GLY 322.A O no hydrogen 3.234 N/A MET 319.A N SER 297.A O no hydrogen 2.789 N/A GLY 321.A N GLY 318.A O no hydrogen 3.174 N/A GLY 322.A N ASP 320.A OD1 no hydrogen 2.924 N/A MET 323.A N HIS 3.A O no hydrogen 2.918 N/A SER 324.A N THR 316.A O no hydrogen 2.826 N/A SER 324.A OG HIS 294.A NE2 no hydrogen 2.932 N/A ILE 325.A N ALA 1.A O no hydrogen 2.895 N/A TRP 326.A N PHE 314.A O no hydrogen 2.773 N/A TRP 326.A NE1 THR 316.A OG1 no hydrogen 2.904 N/A VAL 328.A N SER 312.A O no hydrogen 2.997 N/A SER 330.A N ASP 327.A OD1 no hydrogen 3.130 N/A LEU 331.A N ASP 327.A O no hydrogen 2.988 N/A GLU 332.A N VAL 328.A O no hydrogen 3.007 N/A SER 333.A N ARG 329.A O no hydrogen 3.297 N/A ALA 334.A N SER 330.A O no hydrogen 3.061 N/A ALA 334.A N LEU 331.A O no hydrogen 3.178 N/A LEU 335.A N LEU 331.A O no hydrogen 2.947 N/A LEU 338.A N LEU 335.A O no hydrogen 2.632 N/A VAL 341.A N SER 256.A OG no hydrogen 2.535 N/A