Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xty_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG CYS 34.A O no hydrogen 3.988 N/A LEU 6.A N VAL 289.A O no hydrogen 3.062 N/A LEU 9.A N LEU 299.A O no hydrogen 2.489 N/A THR 12.A OG1 GLU 10.A O no hydrogen 3.228 N/A ARG 13.A N TYR 24.A O no hydrogen 2.810 N/A THR 14.A OG1 THR 22.A O no hydrogen 3.198 N/A THR 14.A OG1 ASP 23.A OD1 no hydrogen 2.687 N/A VAL 15.A N THR 22.A O no hydrogen 2.745 N/A SER 17.A N GLY 20.A O no hydrogen 2.361 N/A GLU 18.A N ILE 184.A O no hydrogen 3.067 N/A ALA 19.A N ILE 184.A O no hydrogen 2.653 N/A THR 22.A N VAL 15.A O no hydrogen 2.519 N/A THR 22.A OG1 VAL 15.A O no hydrogen 3.393 N/A THR 22.A OG1 GLU 183.A OE2 no hydrogen 3.443 N/A ASP 23.A N ARG 41.A O no hydrogen 2.369 N/A TYR 24.A N ARG 13.A O no hydrogen 2.375 N/A GLU 27.A N ASP 26.A OD1 no hydrogen 3.049 N/A GLN 31.A NE2 ASN 7.A O no hydrogen 3.451 N/A ARG 33.A N ASN 29.A O no hydrogen 2.346 N/A CYS 34.A N GLU 30.A O no hydrogen 2.772 N/A ALA 35.A N GLN 31.A O no hydrogen 2.380 N/A GLY 36.A N ARG 33.A O no hydrogen 2.412 N/A VAL 37.A N PHE 32.A O no hydrogen 3.350 N/A SER 38.A N LEU 124.A O no hydrogen 2.780 N/A SER 38.A OG GLU 27.A OE1 no hydrogen 2.756 N/A THR 39.A OG1 THR 122.A O no hydrogen 2.124 N/A ILE 40.A N THR 39.A OG1 no hydrogen 2.475 N/A ILE 40.A N THR 122.A O no hydrogen 3.388 N/A ARG 41.A N ASP 23.A O no hydrogen 2.772 N/A ARG 41.A NH2 ASP 23.A OD2 no hydrogen 2.865 N/A ARG 42.A N ALA 120.A O no hydrogen 2.990 N/A ARG 42.A NH2 TYR 108.A OH no hydrogen 2.307 N/A VAL 43.A N VAL 21.A O no hydrogen 2.619 N/A ILE 44.A N VAL 118.A O no hydrogen 2.704 N/A GLU 45.A N ALA 19.A O no hydrogen 3.105 N/A ARG 47.A N ASN 112.A O no hydrogen 2.704 N/A GLY 48.A N GLU 45.A O no hydrogen 3.106 N/A LEU 49.A N VAL 185.A O no hydrogen 2.659 N/A LEU 50.A N CYS 110.A O no hydrogen 2.491 N/A LEU 51.A N GLU 183.A O no hydrogen 2.338 N/A SER 53.A OG GLN 139.A OE1 no hydrogen 2.421 N/A MET 54.A N PHE 140.A O no hydrogen 3.082 N/A SER 55.A OG HIS 137.A NE2 no hydrogen 2.353 N/A ASN 56.A N ARG 138.A O no hydrogen 2.590 N/A ASN 56.A ND2 ASN 131.A OD1 no hydrogen 2.906 N/A ASN 56.A ND2 ASP 134.A O no hydrogen 3.643 N/A ASN 56.A ND2 SER 136.A O no hydrogen 3.384 N/A LEU 60.A N VAL 123.A O no hydrogen 3.048 N/A VAL 61.A N LEU 100.A O no hydrogen 2.574 N/A TYR 62.A N ILE 121.A O no hydrogen 3.029 N/A ILE 63.A N ASP 98.A O no hydrogen 2.904 N/A VAL 64.A N VAL 119.A O no hydrogen 3.109 N/A GLN 65.A N VAL 119.A O no hydrogen 3.421 N/A GLY 68.A N PHE 94.A O no hydrogen 3.265 N/A ILE 69.A N TYR 111.A O no hydrogen 3.146 N/A VAL 70.A N TYR 92.A O no hydrogen 2.266 N/A GLY 71.A N TRP 109.A O no hydrogen 2.773 N/A MET 74.A N GLN 89.A OE1 no hydrogen 2.694 N/A CYS 77.A N MET 74.A O no hydrogen 2.635 N/A PHE 81.A N HIS 88.A O no hydrogen 3.151 N/A HIS 88.A ND1 GLN 89.A O no hydrogen 2.505 N/A TYR 92.A N VAL 70.A O no hydrogen 2.575 N/A GLN 95.A N ASP 98.A OD2 no hydrogen 2.195 N/A GLY 97.A N ILE 63.A O no hydrogen 2.330 N/A ASP 98.A N GLN 95.A O no hydrogen 3.112 N/A VAL 99.A N GLN 211.A O no hydrogen 3.188 N/A LEU 100.A N VAL 61.A O no hydrogen 2.493 N/A ALA 101.A N ILE 209.A O no hydrogen 2.929 N/A VAL 102.A N ARG 59.A O no hydrogen 2.352 N/A ASN 104.A ND2 ASN 56.A O no hydrogen 2.117 N/A GLY 105.A N SER 55.A O no hydrogen 2.930 N/A TRP 109.A N GLY 71.A O no hydrogen 3.012 N/A TYR 111.A N ILE 69.A O no hydrogen 3.165 N/A ASN 112.A N GLY 48.A O no hydrogen 2.842 N/A ASN 112.A ND2 ILE 44.A O no hydrogen 2.613 N/A ASN 112.A ND2 GLU 45.A O no hydrogen 2.622 N/A ASN 112.A ND2 ASN 116.A O no hydrogen 3.174 N/A VAL 118.A N ILE 44.A O no hydrogen 2.751 N/A VAL 119.A N GLN 65.A O no hydrogen 3.413 N/A ALA 120.A N ARG 42.A O no hydrogen 3.107 N/A ILE 121.A N TYR 62.A O no hydrogen 3.155 N/A THR 122.A N ILE 40.A O no hydrogen 2.691 N/A VAL 123.A N LEU 60.A O no hydrogen 2.858 N/A LEU 124.A N SER 38.A O no hydrogen 2.688 N/A THR 126.A OG1 ARG 135.A O no hydrogen 2.777 N/A SER 127.A N ASP 125.A OD1 no hydrogen 3.269 N/A ASN 128.A ND2 ASP 125.A OD2 no hydrogen 2.271 N/A ASN 128.A ND2 ILE 243.A O no hydrogen 3.126 N/A ALA 130.A N ASN 128.A OD1 no hydrogen 3.480 N/A ASN 131.A N ASN 128.A O no hydrogen 3.046 N/A ASN 131.A ND2 ASP 134.A O no hydrogen 2.932 N/A GLN 132.A N ALA 130.A O no hydrogen 2.523 N/A SER 136.A OG ASP 134.A OD2 no hydrogen 3.283 N/A HIS 137.A N GLU 27.A OE1 no hydrogen 2.522 N/A HIS 137.A NE2 SER 55.A OG no hydrogen 2.353 N/A ARG 138.A NH2 ASP 134.A OD1 no hydrogen 2.153 N/A PHE 140.A N MET 54.A O no hydrogen 2.594 N/A LEU 142.A N PRO 52.A O no hydrogen 3.087 N/A ASN 152.A N GLU 151.A OE1 no hydrogen 3.285 N/A ASN 152.A ND2 GLY 144.A O no hydrogen 3.586 N/A ASN 152.A ND2 GLU 151.A OE1 no hydrogen 3.253 N/A ASN 152.A ND2 GLN 175.A O no hydrogen 2.635 N/A ILE 153.A N LEU 141.A O no hydrogen 2.787 N/A LEU 154.A N ASN 152.A OD1 no hydrogen 3.271 N/A GLY 156.A N ILE 153.A O no hydrogen 2.714 N/A PHE 157.A N LEU 154.A O no hydrogen 3.269 N/A GLU 160.A N GLU 160.A OE2 no hydrogen 2.151 N/A LEU 162.A N SER 158.A O no hydrogen 2.654 N/A ALA 163.A N THR 159.A O no hydrogen 2.098 N/A ALA 164.A N GLU 160.A O no hydrogen 2.204 N/A ALA 165.A N LEU 161.A O no hydrogen 2.148 N/A PHE 166.A N LEU 162.A O no hydrogen 2.687 N/A PHE 166.A N ALA 163.A O no hydrogen 2.931 N/A GLY 167.A N ALA 163.A O no hydrogen 2.604 N/A GLU 171.A N ASN 169.A OD1 no hydrogen 2.809 N/A GLN 175.A N GLN 175.A OE1 no hydrogen 2.335 N/A CYS 176.A N LYS 173.A O no hydrogen 3.375 N/A CYS 176.A SG LEU 174.A O no hydrogen 3.162 N/A ARG 181.A NE ASP 179.A OD1 no hydrogen 2.267 N/A VAL 185.A N LEU 49.A O no hydrogen 3.048 N/A ARG 186.A NH2 GLU 18.A O no hydrogen 2.880 N/A ALA 187.A N ARG 47.A O no hydrogen 3.244 N/A ARG 195.A N VAL 193.A O no hydrogen 3.246 N/A SER 197.A OG GLY 198.A O no hydrogen 3.517 N/A LYS 208.A NZ LYS 210.A O no hydrogen 2.049 N/A GLN 211.A N VAL 99.A O no hydrogen 3.063 N/A ILE 213.A N GLY 97.A O no hydrogen 2.884 N/A GLY 214.A N GLY 97.A O no hydrogen 2.827 N/A ARG 218.A N ASP 215.A O no hydrogen 3.368 N/A ALA 219.A N PRO 216.A O no hydrogen 3.201 N/A ASP 220.A N ILE 229.A O no hydrogen 2.304 N/A VAL 221.A N ILE 229.A O no hydrogen 3.139 N/A ARG 228.A N VAL 251.A O no hydrogen 2.783 N/A ILE 229.A N VAL 221.A O no hydrogen 3.079 N/A THR 230.A N ARG 249.A O no hydrogen 2.747 N/A THR 231.A N ASP 220.A OD2 no hydrogen 3.191 N/A LEU 232.A N ALA 247.A O no hydrogen 2.753 N/A SER 234.A N ASP 326.A O no hydrogen 3.092 N/A SER 234.A OG ASP 326.A O no hydrogen 2.768 N/A GLU 235.A N ASN 233.A OD1 no hydrogen 2.791 N/A LYS 236.A N ASN 233.A O no hydrogen 2.600 N/A LYS 236.A NZ ASP 220.A OD1 no hydrogen 3.096 N/A LYS 236.A NZ ASP 220.A OD2 no hydrogen 3.119 N/A LYS 236.A NZ THR 231.A O no hydrogen 3.410 N/A LEU 237.A N ASN 233.A O no hydrogen 3.032 N/A LEU 240.A N LEU 237.A O no hydrogen 3.322 N/A PHE 242.A N ILE 239.A O no hydrogen 2.669 N/A ILE 243.A N ILE 239.A O no hydrogen 3.115 N/A GLN 244.A N LEU 240.A O no hydrogen 2.655 N/A GLN 244.A N ASP 326.A OD2 no hydrogen 2.969 N/A MET 245.A SD PRO 58.A O no hydrogen 3.719 N/A SER 246.A N LYS 323.A O no hydrogen 2.506 N/A SER 246.A OG LEU 232.A O no hydrogen 2.587 N/A ALA 247.A N LEU 232.A O no hydrogen 2.958 N/A GLU 248.A N SER 321.A O no hydrogen 2.224 N/A ARG 249.A N THR 230.A O no hydrogen 2.854 N/A VAL 250.A N LEU 319.A O no hydrogen 3.194 N/A VAL 251.A N ARG 228.A O no hydrogen 3.038 N/A LEU 252.A N PHE 317.A O no hydrogen 2.492 N/A ASN 255.A N GLY 313.A O no hydrogen 2.857 N/A ALA 256.A N TYR 253.A O no hydrogen 3.354 N/A MET 257.A N ARG 225.A O no hydrogen 3.409 N/A HIS 261.A N MET 308.A O no hydrogen 3.115 N/A HIS 261.A ND1 SER 259.A O no hydrogen 2.265 N/A ASN 263.A ND2 PRO 303.A O no hydrogen 2.595 N/A ASN 265.A ND2 ARG 327.A O no hydrogen 3.181 N/A HIS 267.A N THR 324.A OG1 no hydrogen 2.905 N/A SER 268.A N VAL 302.A O no hydrogen 2.474 N/A SER 268.A OG VAL 302.A O no hydrogen 2.146 N/A ILE 269.A N ILE 322.A O no hydrogen 2.887 N/A MET 270.A N LEU 300.A O no hydrogen 2.843 N/A TYR 271.A N VAL 320.A O no hydrogen 3.180 N/A CYS 272.A N GLN 298.A O no hydrogen 3.229 N/A CYS 272.A SG GLY 274.A O no hydrogen 2.980 N/A CYS 272.A SG GLY 275.A O no hydrogen 3.790 N/A THR 273.A OG1 GLN 318.A O no hydrogen 2.612 N/A GLY 274.A N GLN 318.A O no hydrogen 3.271 N/A ARG 276.A N GLY 316.A O no hydrogen 2.416 N/A GLY 277.A N LEU 294.A O no hydrogen 3.449 N/A ARG 278.A N ARG 311.A O no hydrogen 2.600 N/A GLU 280.A N LEU 309.A O no hydrogen 2.339 N/A VAL 281.A N PHE 290.A O no hydrogen 3.154 N/A ALA 282.A N ALA 307.A O no hydrogen 3.202 N/A THR 288.A OG1 VAL 281.A O no hydrogen 2.467 N/A VAL 289.A N VAL 281.A O no hydrogen 2.950 N/A PHE 290.A N THR 288.A OG1 no hydrogen 3.285 N/A LEU 294.A N GLY 277.A O no hydrogen 2.935 N/A ARG 295.A N GLN 298.A OE1 no hydrogen 2.887 N/A GLN 296.A NE2 THR 273.A O no hydrogen 2.903 N/A GLY 297.A N CYS 272.A O no hydrogen 2.744 N/A LEU 299.A N LEU 9.A O no hydrogen 2.671 N/A LEU 300.A N MET 270.A O no hydrogen 2.787 N/A VAL 302.A N SER 268.A O no hydrogen 2.587 N/A GLN 304.A NE2 ILE 264.A O no hydrogen 2.821 N/A ASN 305.A N ASN 263.A O no hydrogen 2.554 N/A PHE 306.A N GLN 304.A O no hydrogen 2.233 N/A MET 308.A N HIS 261.A O no hydrogen 2.442 N/A LEU 309.A N GLU 280.A O no hydrogen 2.567 N/A ARG 311.A N ARG 278.A O no hydrogen 2.777 N/A ALA 312.A N ALA 256.A O no hydrogen 2.740 N/A PHE 317.A N LEU 252.A O no hydrogen 2.844 N/A GLN 318.A N GLY 274.A O no hydrogen 2.992 N/A LEU 319.A N VAL 250.A O no hydrogen 3.096 N/A VAL 320.A N TYR 271.A O no hydrogen 2.889 N/A SER 321.A N GLU 248.A O no hydrogen 2.354 N/A ILE 322.A N ILE 269.A O no hydrogen 3.020 N/A LYS 323.A N SER 246.A O no hydrogen 2.358 N/A LYS 323.A NZ GLU 248.A OE2 no hydrogen 3.391 N/A THR 324.A OG1 HIS 267.A O no hydrogen 3.194 N/A SER 325.A OG ASN 265.A O no hydrogen 3.514 N/A ARG 327.A N SER 325.A OG no hydrogen 3.318 N/A ARG 327.A NH1 GLU 235.A OE2 no hydrogen 3.382 N/A MET 329.A N ASN 265.A OD1 no hydrogen 2.221 N/A SER 331.A N TRP 262.A O no hydrogen 2.887 N/A VAL 333.A N PRO 260.A O no hydrogen 3.258 N/A GLY 335.A N THR 332.A O no hydrogen 2.228 N/A MET 339.A N LEU 336.A O no hydrogen 2.526 N/A LEU 344.A N PRO 340.A O no hydrogen 3.022 N/A LEU 344.A N VAL 341.A O no hydrogen 2.825 N/A MET 345.A N VAL 341.A O no hydrogen 3.034 N/A ASN 346.A N GLU 342.A O no hydrogen 2.861 N/A ASN 346.A ND2 GLU 342.A O no hydrogen 2.094 N/A SER 347.A OG VAL 343.A O no hydrogen 2.355 N/A LEU 350.A N MET 345.A O no hydrogen 3.000 N/A SER 351.A N GLU 354.A OE2 no hydrogen 2.814 N/A GLU 354.A N GLU 354.A OE1 no hydrogen 3.142 N/A ALA 355.A N SER 351.A O no hydrogen 3.070 N/A ARG 356.A N ARG 352.A O no hydrogen 2.993 N/A ARG 357.A N ASP 353.A O no hydrogen 3.233 N/A VAL 358.A N GLU 354.A O no hydrogen 3.283 N/A VAL 358.A N ALA 355.A O no hydrogen 3.077 N/A LYS 359.A N ALA 355.A O no hydrogen 3.101 N/A