Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tus_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASN 27.A O no hydrogen 3.268 N/A VAL 5.A N ASP 49.A OD2 no hydrogen 2.481 N/A TRP 6.A N THR 29.A O no hydrogen 2.703 N/A CYS 7.A N ALA 50.A O no hydrogen 3.237 N/A CYS 7.A SG ALA 31.A O no hydrogen 3.794 N/A ALA 8.A N ALA 31.A O no hydrogen 2.634 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.808 N/A GLY 10.A N ALA 33.A O no hydrogen 3.195 N/A GLN 14.A N GLY 10.A O no hydrogen 3.051 N/A LYS 15.A N PRO 11.A O no hydrogen 2.964 N/A LYS 16.A N GLU 12.A O no hydrogen 3.014 N/A LYS 16.A NZ LEU 290.A O no hydrogen 2.840 N/A LYS 16.A NZ LYS 292.A O no hydrogen 2.754 N/A LYS 16.A NZ LEU 298.A O no hydrogen 3.195 N/A CYS 17.A N GLU 13.A O no hydrogen 2.724 N/A CYS 17.A SG THR 29.A O no hydrogen 4.046 N/A GLN 18.A N GLN 14.A O no hydrogen 2.935 N/A GLN 19.A N LYS 15.A O no hydrogen 3.413 N/A TRP 20.A N LYS 16.A O no hydrogen 3.144 N/A TRP 20.A NE1 GLN 273.A OE1 no hydrogen 2.691 N/A SER 21.A N CYS 17.A O no hydrogen 2.738 N/A SER 21.A OG GLN 26.A OE1 no hydrogen 3.387 N/A SER 21.A OG VAL 28.A O no hydrogen 2.702 N/A GLN 22.A N GLN 18.A O no hydrogen 2.825 N/A GLN 23.A N GLN 19.A O no hydrogen 2.991 N/A SER 24.A N SER 21.A O no hydrogen 2.833 N/A SER 24.A OG TRP 20.A O no hydrogen 3.492 N/A SER 24.A OG SER 21.A O no hydrogen 3.076 N/A SER 24.A OG VAL 28.A O no hydrogen 3.396 N/A GLY 25.A N GLN 22.A O no hydrogen 3.317 N/A GLN 26.A N SER 21.A O no hydrogen 3.184 N/A ASN 27.A N SER 24.A O no hydrogen 3.142 N/A VAL 28.A N SER 24.A OG no hydrogen 2.845 N/A THR 29.A N VAL 4.A O no hydrogen 2.858 N/A ALA 31.A N TRP 6.A O no hydrogen 2.741 N/A THR 32.A OG1 ALA 8.A O no hydrogen 3.504 N/A ALA 33.A N ALA 8.A O no hydrogen 3.112 N/A ASP 38.A N THR 35.A OG1 no hydrogen 3.046 N/A CYS 39.A N THR 35.A O no hydrogen 3.157 N/A CYS 39.A SG ALA 8.A O no hydrogen 3.856 N/A ILE 40.A N THR 36.A O no hydrogen 2.878 N/A VAL 41.A N ASP 37.A O no hydrogen 3.080 N/A LEU 42.A N ASP 38.A O no hydrogen 2.896 N/A VAL 43.A N CYS 39.A O no hydrogen 3.326 N/A LEU 44.A N ILE 40.A O no hydrogen 3.100 N/A LYS 45.A N VAL 41.A O no hydrogen 2.991 N/A GLY 46.A N LEU 42.A O no hydrogen 2.860 N/A GLU 47.A N LEU 42.A O no hydrogen 2.988 N/A ASP 49.A N VAL 5.A O no hydrogen 2.949 N/A ASN 52.A ND2 GLU 72.A OE2 no hydrogen 2.802 N/A ASN 52.A ND2 LEU 299.A O no hydrogen 3.281 N/A LEU 53.A N ALA 255.A O no hydrogen 2.782 N/A GLY 56.A N ASP 54.A OD2 no hydrogen 3.164 N/A TYR 57.A N ASP 54.A O no hydrogen 2.902 N/A ILE 58.A N ASP 54.A O no hydrogen 3.009 N/A TYR 59.A N GLY 55.A O no hydrogen 3.084 N/A ALA 61.A N TYR 57.A O no hydrogen 2.794 N/A GLY 62.A N ILE 58.A O no hydrogen 2.843 N/A LYS 63.A N TYR 59.A O no hydrogen 3.366 N/A LYS 63.A NZ TYR 59.A OH no hydrogen 2.735 N/A CYS 64.A N ALA 61.A O no hydrogen 3.176 N/A CYS 64.A SG THR 60.A O no hydrogen 3.628 N/A GLY 65.A N GLY 62.A O no hydrogen 3.003 N/A LEU 66.A N ALA 61.A O no hydrogen 2.967 N/A VAL 67.A N SER 258.A O no hydrogen 2.783 N/A VAL 69.A N VAL 256.A O no hydrogen 2.804 N/A ALA 71.A N ALA 308.A O no hydrogen 3.014 N/A GLU 72.A N HIS 254.A O no hydrogen 3.040 N/A ASN 73.A N CYS 306.A O no hydrogen 2.891 N/A ASN 73.A ND2 CYS 84.A O no hydrogen 2.968 N/A ASN 73.A ND2 ARG 87.A O no hydrogen 2.811 N/A ARG 74.A NH1 GLY 91.A O no hydrogen 2.965 N/A ARG 74.A NH2 GLY 91.A O no hydrogen 2.653 N/A SER 76.A OG LYS 78.A O no hydrogen 3.522 N/A SER 76.A OG GLU 90.A OE2 no hydrogen 3.258 N/A SER 77.A N GLU 90.A OE2 no hydrogen 3.146 N/A SER 77.A OG GLU 90.A OE1 no hydrogen 2.685 N/A SER 77.A OG GLU 90.A OE2 no hydrogen 3.266 N/A SER 80.A N LYS 78.A O no hydrogen 2.944 N/A LEU 86.A N ASP 83.A O no hydrogen 3.160 N/A ARG 87.A N ASP 83.A O no hydrogen 2.493 N/A TYR 92.A N ALA 251.A O no hydrogen 2.724 N/A ALA 94.A N ALA 249.A O no hydrogen 2.868 N/A VAL 95.A N VAL 202.A O no hydrogen 2.996 N/A VAL 97.A N ALA 200.A O no hydrogen 2.830 N/A VAL 98.A N ARG 229.A O no hydrogen 3.097 N/A LYS 99.A NZ ALA 193.A O no hydrogen 3.096 N/A LYS 99.A NZ ASP 195.A OD1 no hydrogen 2.841 N/A LYS 99.A NZ ASP 195.A OD2 no hydrogen 3.321 N/A LYS 100.A N ASP 227.A O no hydrogen 2.920 N/A LYS 100.A NZ GLU 226.A OE1 no hydrogen 3.323 N/A ASN 102.A N LYS 99.A O no hydrogen 3.168 N/A ASN 102.A ND2 ASP 198.A OD1 no hydrogen 3.317 N/A GLU 103.A N ALA 101.A O no hydrogen 2.784 N/A THR 106.A N SER 109.A OG no hydrogen 3.215 N/A TRP 107.A NE1 GLN 136.A OE1 no hydrogen 2.853 N/A SER 109.A N THR 106.A O no hydrogen 2.757 N/A SER 109.A OG GLY 104.A O no hydrogen 3.389 N/A SER 109.A OG THR 106.A O no hydrogen 3.399 N/A LYS 111.A NZ ASP 112.A OD1 no hydrogen 3.053 N/A LYS 111.A NZ GLU 144.A O no hydrogen 2.768 N/A ASP 112.A N PHE 145.A O no hydrogen 2.811 N/A LYS 113.A N LEU 110.A O no hydrogen 3.113 N/A LYS 113.A NZ SER 109.A O no hydrogen 3.479 N/A LYS 114.A N ASP 198.A OD2 no hydrogen 2.651 N/A LYS 114.A NZ VAL 196.A O no hydrogen 3.305 N/A SER 115.A N GLN 148.A O no hydrogen 3.187 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.812 N/A SER 115.A OG SER 149.A OG no hydrogen 2.610 N/A CYS 116.A N VAL 199.A O no hydrogen 2.801 N/A CYS 116.A SG VAL 199.A O no hydrogen 3.570 N/A HIS 117.A N CYS 150.A O no hydrogen 2.878 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.737 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.812 N/A VAL 120.A N PRO 152.A O no hydrogen 2.877 N/A ARG 122.A N ALA 119.A O no hydrogen 3.290 N/A THR 123.A N ASP 54.A OD2 no hydrogen 2.725 N/A THR 123.A OG1 ASP 54.A OD1 no hydrogen 3.540 N/A THR 123.A OG1 ASP 54.A OD2 no hydrogen 3.304 N/A THR 123.A OG1 TYR 324.A OH no hydrogen 2.617 N/A TRP 126.A N ARG 122.A O no hydrogen 3.095 N/A ASN 127.A N ARG 122.A O no hydrogen 2.776 N/A ASN 127.A ND2 ASP 121.A O no hydrogen 3.428 N/A ASN 127.A ND2 TYR 324.A OH no hydrogen 3.492 N/A ILE 128.A N THR 123.A O no hydrogen 2.834 N/A MET 130.A N TRP 126.A O no hydrogen 2.899 N/A GLY 131.A N ASN 127.A O no hydrogen 3.129 N/A LEU 132.A N ILE 128.A O no hydrogen 3.124 N/A ILE 133.A N PRO 129.A O no hydrogen 3.158 N/A VAL 134.A N MET 130.A O no hydrogen 2.881 N/A ASN 135.A N GLY 131.A O no hydrogen 3.055 N/A GLN 136.A N LEU 132.A O no hydrogen 2.966 N/A THR 137.A N ILE 133.A O no hydrogen 3.087 N/A THR 137.A N VAL 134.A O no hydrogen 2.918 N/A THR 137.A OG1 ILE 133.A O no hydrogen 2.829 N/A THR 137.A OG1 VAL 134.A O no hydrogen 3.262 N/A THR 137.A OG1 SER 139.A O no hydrogen 3.333 N/A ALA 141.A N SER 139.A OG no hydrogen 3.239 N/A PHE 142.A N CYS 140.A O no hydrogen 2.543 N/A GLU 144.A N ALA 141.A O no hydrogen 3.223 N/A SER 147.A N LYS 113.A O no hydrogen 3.028 N/A SER 147.A OG ASP 112.A O no hydrogen 3.168 N/A SER 147.A OG LYS 113.A O no hydrogen 3.549 N/A SER 149.A N ARG 159.A O no hydrogen 3.104 N/A SER 149.A OG SER 115.A OG no hydrogen 2.610 N/A CYS 150.A N SER 115.A O no hydrogen 3.105 N/A ALA 151.A N LEU 160.A O no hydrogen 2.824 N/A GLY 153.A N CYS 174.A O no hydrogen 2.800 N/A ALA 154.A N ALA 151.A O no hydrogen 2.952 N/A LYS 157.A NZ ASP 155.A OD2 no hydrogen 2.899 N/A SER 158.A N ASP 155.A O no hydrogen 2.738 N/A SER 158.A OG ASP 155.A O no hydrogen 2.773 N/A ARG 159.A NH1 GLU 144.A O no hydrogen 2.998 N/A ARG 159.A NH1 PHE 146.A O no hydrogen 2.966 N/A CYS 161.A N SER 158.A O no hydrogen 3.024 N/A ALA 162.A N ARG 159.A O no hydrogen 3.024 N/A LEU 163.A N SER 149.A O no hydrogen 2.693 N/A CYS 164.A N CYS 161.A O no hydrogen 3.218 N/A ALA 165.A N GLU 180.A OE2 no hydrogen 2.867 N/A GLY 166.A N GLU 180.A OE1 no hydrogen 2.938 N/A ASP 167.A N LEU 171.A O no hydrogen 2.669 N/A GLY 170.A N ASP 167.A O no hydrogen 2.816 N/A LEU 171.A N ASP 167.A OD1 no hydrogen 2.675 N/A LYS 173.A NZ PRO 156.A O no hydrogen 2.649 N/A CYS 174.A N GLU 180.A OE1 no hydrogen 2.620 N/A CYS 174.A SG ALA 151.A O no hydrogen 3.707 N/A VAL 175.A N ASP 172.A O no hydrogen 3.290 N/A ASN 177.A ND2 SER 34.A O no hydrogen 2.965 N/A SER 178.A OG GLU 12.A OE1 no hydrogen 2.837 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 2.905 N/A GLU 180.A N ASN 177.A O no hydrogen 3.076 N/A TYR 182.A N GLU 180.A OE2 no hydrogen 3.227 N/A TYR 182.A OH GLU 194.A OE1 no hydrogen 2.643 N/A TYR 183.A N GLU 180.A O no hydrogen 3.362 N/A GLY 184.A N THR 118.A O no hydrogen 2.762 N/A TYR 185.A OH HIS 254.A NE2 no hydrogen 3.055 N/A THR 186.A OG1 THR 295.A O no hydrogen 3.127 N/A ALA 188.A N GLY 184.A O no hydrogen 3.085 N/A ARG 190.A N THR 186.A O no hydrogen 3.094 N/A ARG 190.A NE GLU 194.A OE2 no hydrogen 2.947 N/A ARG 190.A NH2 GLU 194.A OE2 no hydrogen 3.203 N/A CYS 191.A N GLY 187.A O no hydrogen 3.206 N/A ALA 193.A N PHE 189.A O no hydrogen 2.784 N/A GLU 194.A N ARG 190.A O no hydrogen 2.880 N/A ASP 195.A N LEU 192.A O no hydrogen 2.916 N/A VAL 196.A N CYS 191.A O no hydrogen 3.050 N/A GLY 197.A N CYS 191.A O no hydrogen 3.065 N/A ASP 198.A N LYS 114.A O no hydrogen 2.638 N/A VAL 199.A N LYS 114.A O no hydrogen 3.136 N/A ALA 200.A N VAL 97.A O no hydrogen 2.935 N/A PHE 201.A N CYS 116.A O no hydrogen 3.121 N/A VAL 202.A N VAL 95.A O no hydrogen 3.345 N/A ASN 204.A N LEU 93.A O no hydrogen 3.020 N/A THR 206.A N LYS 203.A O no hydrogen 3.250 N/A TRP 208.A NE1 VAL 240.A O no hydrogen 3.125 N/A GLU 209.A N ASP 205.A O no hydrogen 2.932 N/A ASN 210.A N THR 206.A O no hydrogen 3.222 N/A THR 211.A OG1 VAL 207.A O no hydrogen 2.914 N/A THR 211.A OG1 TRP 208.A O no hydrogen 3.452 N/A ASN 212.A N LEU 223.A O no hydrogen 2.725 N/A GLU 214.A N THR 211.A O no hydrogen 3.121 N/A ALA 217.A N SER 215.A OG no hydrogen 3.349 N/A ALA 220.A N ALA 217.A O no hydrogen 3.329 N/A LYS 221.A N ALA 217.A O no hydrogen 2.814 N/A LEU 223.A N ALA 220.A O no hydrogen 2.788 N/A ARG 225.A N ASN 212.A OD1 no hydrogen 3.153 N/A ARG 225.A NE THR 211.A OG1 no hydrogen 2.845 N/A ARG 225.A NH2 TRP 208.A O no hydrogen 2.873 N/A ASP 227.A N LYS 224.A O no hydrogen 3.029 N/A PHE 228.A N ARG 225.A O no hydrogen 2.863 N/A ARG 229.A N VAL 98.A O no hydrogen 2.954 N/A ARG 229.A NH1 GLU 226.A OE2 no hydrogen 3.311 N/A ARG 229.A NH1 PHE 228.A O no hydrogen 3.044 N/A ARG 229.A NH2 GLU 226.A OE1 no hydrogen 2.818 N/A ARG 229.A NH2 GLU 226.A OE2 no hydrogen 3.489 N/A LEU 230.A N LYS 238.A O no hydrogen 2.788 N/A LEU 231.A N ALA 96.A O no hydrogen 2.908 N/A CYS 232.A N THR 236.A O no hydrogen 3.245 N/A CYS 232.A SG THR 236.A O no hydrogen 3.708 N/A CYS 232.A SG THR 236.A OG1 no hydrogen 3.634 N/A GLY 235.A N CYS 232.A O no hydrogen 3.249 N/A THR 236.A N ASP 234.A OD1 no hydrogen 2.827 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.807 N/A ARG 237.A NH1 ASN 102.A O no hydrogen 2.790 N/A ARG 237.A NH1 LEU 105.A O no hydrogen 2.769 N/A ARG 237.A NH2 LYS 100.A O no hydrogen 3.170 N/A ARG 237.A NH2 ASN 102.A O no hydrogen 3.363 N/A LYS 238.A N LEU 230.A O no hydrogen 3.179 N/A LYS 238.A NZ SER 245.A OG no hydrogen 2.789 N/A THR 241.A OG1 GLU 242.A OE1 no hydrogen 2.862 N/A GLU 242.A N PRO 239.A O no hydrogen 3.251 N/A SER 245.A N GLU 242.A O no hydrogen 3.141 N/A CYS 246.A N GLU 242.A O no hydrogen 3.034 N/A CYS 246.A N ALA 243.A O no hydrogen 2.975 N/A HIS 247.A ND1 ALA 243.A O no hydrogen 2.727 N/A LEU 248.A N ALA 94.A O no hydrogen 2.640 N/A ALA 251.A N TYR 92.A O no hydrogen 2.618 N/A HIS 254.A NE2 TYR 185.A OH no hydrogen 3.055 N/A ALA 255.A N LEU 53.A O no hydrogen 2.982 N/A VAL 256.A N LEU 70.A O no hydrogen 2.850 N/A VAL 257.A N LEU 51.A O no hydrogen 3.028 N/A SER 258.A N VAL 67.A O no hydrogen 3.165 N/A SER 258.A OG ARG 259.A O no hydrogen 2.963 N/A ARG 259.A NH2 LEU 44.A O no hydrogen 2.816 N/A ARG 262.A N ARG 259.A O no hydrogen 2.913 N/A ARG 262.A NE ASP 49.A OD1 no hydrogen 3.370 N/A ARG 262.A NH1 THR 2.A OG1 no hydrogen 3.173 N/A ARG 262.A NH2 THR 2.A OG1 no hydrogen 2.953 N/A ALA 263.A N SER 260.A O no hydrogen 3.378 N/A VAL 266.A N ARG 262.A O no hydrogen 3.095 N/A GLU 267.A N ALA 263.A O no hydrogen 3.053 N/A GLN 268.A N ALA 264.A O no hydrogen 3.069 N/A VAL 269.A N HIS 265.A O no hydrogen 3.057 N/A LEU 270.A N VAL 266.A O no hydrogen 2.911 N/A LEU 271.A N GLU 267.A O no hydrogen 3.154 N/A HIS 272.A N GLN 268.A O no hydrogen 3.215 N/A GLN 273.A N VAL 269.A O no hydrogen 2.890 N/A GLN 274.A N LEU 270.A O no hydrogen 2.860 N/A GLN 274.A NE2 LEU 307.A O no hydrogen 3.490 N/A ALA 275.A N LEU 271.A O no hydrogen 3.289 N/A ALA 275.A N HIS 272.A O no hydrogen 3.107 N/A LEU 276.A N GLN 273.A O no hydrogen 3.306 N/A PHE 277.A N GLN 273.A O no hydrogen 2.941 N/A GLY 278.A N GLN 274.A O no hydrogen 2.604 N/A GLY 281.A N GLY 278.A O no hydrogen 2.885 N/A LYS 282.A N ALA 275.A O no hydrogen 2.978 N/A ASN 283.A N LEU 276.A O no hydrogen 2.595 N/A CYS 284.A N GLY 281.A O no hydrogen 3.438 N/A LYS 287.A N ASN 283.A O no hydrogen 2.824 N/A PHE 288.A N ASN 283.A O no hydrogen 2.856 N/A LEU 290.A N PHE 277.A O no hydrogen 2.908 N/A LYS 292.A NZ ASP 302.A O no hydrogen 2.642 N/A SER 293.A OG ASP 302.A OD1 no hydrogen 3.182 N/A SER 293.A OG ASP 302.A OD2 no hydrogen 3.516 N/A THR 295.A OG1 GLU 294.A O no hydrogen 2.507 N/A LYS 296.A N SER 293.A O no hydrogen 2.942 N/A LYS 296.A NZ GLU 12.A OE1 no hydrogen 3.393 N/A LYS 296.A NZ GLU 12.A OE2 no hydrogen 2.790 N/A LEU 298.A N SER 293.A OG no hydrogen 2.836 N/A LEU 299.A N GLU 13.A OE2 no hydrogen 2.708 N/A ASN 301.A N GLU 72.A OE2 no hydrogen 3.008 N/A ASN 301.A ND2 GLU 72.A OE1 no hydrogen 2.830 N/A ASN 301.A ND2 HIS 254.A ND1 no hydrogen 3.233 N/A ASP 302.A N ASN 297.A OD1 no hydrogen 3.231 N/A ASN 303.A ND2 GLU 209.A OE2 no hydrogen 3.136 N/A THR 304.A OG1 ASN 301.A O no hydrogen 2.869 N/A GLU 305.A N ASN 73.A O no hydrogen 2.813 N/A CYS 306.A N ASN 73.A O no hydrogen 3.390 N/A LEU 307.A N GLN 274.A OE1 no hydrogen 2.876 N/A ALA 308.A N ALA 71.A O no hydrogen 2.634 N/A LYS 309.A N VAL 85.A O no hydrogen 2.801 N/A THR 315.A N GLU 318.A OE1 no hydrogen 2.629 N/A THR 315.A OG1 GLU 318.A OE1 no hydrogen 2.887 N/A TYR 319.A N THR 315.A O no hydrogen 2.796 N/A TYR 319.A OH ASN 253.A O no hydrogen 2.527 N/A LEU 320.A N TYR 316.A O no hydrogen 3.003 N/A GLY 321.A N GLU 317.A O no hydrogen 2.671 N/A TYR 324.A OH THR 123.A OG1 no hydrogen 2.617 N/A VAL 325.A N GLY 321.A O no hydrogen 3.302 N/A THR 326.A OG1 THR 322.A O no hydrogen 2.854 N/A ALA 327.A N GLU 323.A O no hydrogen 3.353 N/A ILE 328.A N TYR 324.A O no hydrogen 2.861 N/A ALA 329.A N VAL 325.A O no hydrogen 3.205 N/A ASN 330.A N THR 326.A O no hydrogen 3.193 N/A ASN 330.A ND2 THR 326.A O no hydrogen 3.355 N/A LEU 331.A N ALA 327.A O no hydrogen 3.147 N/A LYS 332.A N ILE 328.A O no hydrogen 2.932 N/A LYS 332.A NZ ASP 121.A OD1 no hydrogen 2.759 N/A LYS 333.A N ASN 330.A O no hydrogen 2.841 N/A CYS 334.A N LEU 331.A O no hydrogen 3.121 N/A SER 335.A N LYS 332.A O no hydrogen 3.217 N/A