Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xa1_LC.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N MET 1.A O no hydrogen 2.542 N/A ARG 5.A NH1 LEU 24.A O no hydrogen 3.472 N/A ILE 8.A N VAL 22.A O no hydrogen 2.838 N/A SER 9.A N GLU 149.A OE2 no hydrogen 3.359 N/A VAL 10.A N LYS 20.A O no hydrogen 3.357 N/A TYR 11.A N VAL 153.A O no hydrogen 2.780 N/A TYR 11.A OH GLU 149.A OE1 no hydrogen 3.198 N/A SER 12.A N GLU 16.A O no hydrogen 2.793 N/A GLY 15.A N SER 12.A O no hydrogen 2.977 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.712 N/A SER 18.A N VAL 10.A O no hydrogen 3.258 N/A SER 18.A OG VAL 10.A O no hydrogen 2.583 N/A THR 23.A OG1 PRO 6.A O no hydrogen 3.245 N/A LEU 24.A N PRO 6.A O no hydrogen 3.005 N/A ALA 26.A N ASP 261.A OD1 no hydrogen 3.378 N/A PHE 28.A N PRO 25.A O no hydrogen 3.293 N/A LYS 29.A N ALA 26.A O no hydrogen 3.297 N/A ALA 30.A N VAL 27.A O no hydrogen 3.278 N/A ARG 33.A N SER 126.A OG no hydrogen 2.640 N/A ARG 33.A NE ASP 35.A OD1 no hydrogen 3.409 N/A ARG 33.A NH1 TYR 122.A OH no hydrogen 2.961 N/A ARG 33.A NH2 ASP 35.A OD2 no hydrogen 3.447 N/A VAL 37.A N ARG 33.A O no hydrogen 3.084 N/A ASN 38.A N PRO 34.A O no hydrogen 2.955 N/A PHE 39.A N ASP 35.A O no hydrogen 3.022 N/A VAL 40.A N ILE 36.A O no hydrogen 2.921 N/A HIS 41.A N VAL 37.A O no hydrogen 3.006 N/A THR 42.A N ASN 38.A O no hydrogen 2.824 N/A THR 42.A OG1 ASN 38.A O no hydrogen 2.782 N/A THR 42.A OG1 ASN 38.A OD1 no hydrogen 3.498 N/A ASN 43.A N PHE 39.A O no hydrogen 3.145 N/A ASN 43.A ND2 PHE 39.A O no hydrogen 3.030 N/A LEU 44.A N VAL 40.A O no hydrogen 2.694 N/A ARG 45.A N HIS 41.A O no hydrogen 3.137 N/A LYS 46.A NZ THR 42.A O no hydrogen 3.426 N/A ASN 47.A N LEU 44.A O no hydrogen 3.325 N/A ASN 47.A ND2 ARG 113.A O no hydrogen 2.964 N/A ARG 49.A N LYS 46.A O no hydrogen 3.367 N/A ARG 49.A NE LYS 46.A O no hydrogen 3.375 N/A ARG 49.A NH1 TRP 111.A O no hydrogen 2.969 N/A VAL 54.A N THR 105.A OG1 no hydrogen 2.941 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.791 N/A ALA 58.A N SER 55.A O no hydrogen 3.283 N/A HIS 60.A N LEU 57.A O no hydrogen 3.058 N/A GLU 65.A N ARG 78.A O no hydrogen 3.165 N/A SER 66.A OG ARG 75.A O no hydrogen 3.233 N/A GLY 68.A N SER 66.A OG no hydrogen 3.419 N/A ARG 71.A NH2 TRP 67.A O no hydrogen 2.685 N/A ARG 78.A N GLU 65.A O no hydrogen 2.791 N/A ARG 78.A NH1 ALA 74.A O no hydrogen 3.219 N/A VAL 79.A N GLN 89.A O no hydrogen 2.968 N/A SER 87.A N THR 84.A O no hydrogen 3.395 N/A SER 87.A OG THR 84.A O no hydrogen 3.012 N/A GLY 88.A N VAL 79.A O no hydrogen 2.654 N/A ALA 91.A N PRO 77.A O no hydrogen 2.827 N/A GLY 93.A N ALA 91.A O no hydrogen 2.818 N/A CYS 96.A SG ALA 91.A O no hydrogen 3.486 N/A GLY 99.A N CYS 96.A O no hydrogen 3.099 N/A ARG 100.A NE MET 101.A O no hydrogen 3.230 N/A ARG 109.A NH2 TYR 52.A OH no hydrogen 3.163 N/A TRP 111.A NE1 THR 107.A O no hydrogen 3.100 N/A ARG 113.A N ASN 47.A OD1 no hydrogen 2.733 N/A ARG 113.A NH1 ARG 110.A O no hydrogen 2.937 N/A ARG 113.A NH1 HIS 112.A O no hydrogen 3.306 N/A LYS 120.A N ASN 116.A O no hydrogen 2.954 N/A ARG 121.A N THR 117.A O no hydrogen 3.021 N/A TYR 122.A N THR 118.A O no hydrogen 3.137 N/A ALA 123.A N GLN 119.A O no hydrogen 3.196 N/A CYS 125.A N ARG 121.A O no hydrogen 3.189 N/A CYS 125.A SG ARG 121.A O no hydrogen 3.379 N/A CYS 125.A SG TYR 277.A OH no hydrogen 3.854 N/A SER 126.A N TYR 122.A O no hydrogen 3.191 N/A SER 126.A OG PRO 31.A O no hydrogen 3.542 N/A ALA 127.A N ALA 123.A O no hydrogen 3.080 N/A LEU 128.A N ILE 124.A O no hydrogen 2.758 N/A ALA 129.A N CYS 125.A O no hydrogen 3.046 N/A ALA 130.A N SER 126.A O no hydrogen 3.289 N/A SER 131.A N LEU 128.A O no hydrogen 3.268 N/A SER 131.A OG ALA 127.A O no hydrogen 3.550 N/A SER 131.A OG LEU 128.A O no hydrogen 2.822 N/A VAL 137.A N LEU 133.A O no hydrogen 3.212 N/A MET 138.A N PRO 134.A O no hydrogen 3.044 N/A SER 139.A N ALA 135.A O no hydrogen 2.954 N/A SER 139.A OG ALA 135.A O no hydrogen 2.811 N/A LYS 140.A N LEU 136.A O no hydrogen 3.307 N/A LYS 140.A N VAL 137.A O no hydrogen 3.248 N/A LYS 140.A NZ PRO 242.A O no hydrogen 3.548 N/A LYS 140.A NZ HIS 245.A O no hydrogen 3.348 N/A GLY 141.A N MET 138.A O no hydrogen 2.790 N/A HIS 142.A ND1 ASP 179.A OD1 no hydrogen 3.314 N/A HIS 142.A ND1 ASP 179.A OD2 no hydrogen 2.826 N/A VAL 147.A N ILE 144.A O no hydrogen 3.259 N/A VAL 154.A N TRP 252.A O no hydrogen 2.898 N/A LYS 157.A N GLU 155.A OE1 no hydrogen 3.368 N/A VAL 158.A N GLU 155.A O no hydrogen 3.045 N/A GLY 160.A N LYS 157.A O no hydrogen 3.260 N/A TYR 161.A N VAL 158.A O no hydrogen 3.041 N/A TYR 161.A OH GLU 13.A OE1 no hydrogen 2.492 N/A LYS 162.A N GLU 166.A OE2 no hydrogen 2.574 N/A LYS 162.A NZ GLY 160.A O no hydrogen 3.422 N/A LYS 162.A NZ ASN 215.A O no hydrogen 3.227 N/A LYS 163.A N GLU 166.A OE2 no hydrogen 3.168 N/A THR 164.A OG1 ALA 220.A O no hydrogen 3.485 N/A ALA 167.A N THR 164.A O no hydrogen 3.239 N/A VAL 168.A N THR 164.A O no hydrogen 2.970 N/A LEU 169.A N LYS 165.A O no hydrogen 3.154 N/A LEU 170.A N GLU 166.A O no hydrogen 3.322 N/A LEU 170.A N ALA 167.A O no hydrogen 3.180 N/A LEU 171.A N ALA 167.A O no hydrogen 3.351 N/A LYS 172.A N VAL 168.A O no hydrogen 3.064 N/A LYS 173.A N LEU 169.A O no hydrogen 3.344 N/A LEU 174.A N LEU 170.A O no hydrogen 3.171 N/A LYS 175.A N LYS 172.A O no hydrogen 3.257 N/A ALA 176.A N LEU 171.A O no hydrogen 2.852 N/A ILE 180.A N TRP 177.A O no hydrogen 2.887 N/A LYS 181.A N TRP 177.A O no hydrogen 3.052 N/A LYS 182.A N ASN 178.A O no hydrogen 3.051 N/A LYS 182.A NZ GLY 141.A O no hydrogen 2.556 N/A VAL 183.A N ILE 180.A O no hydrogen 2.880 N/A TYR 184.A N ILE 180.A O no hydrogen 3.034 N/A ALA 185.A N LYS 181.A O no hydrogen 2.984 N/A SER 186.A N VAL 183.A O no hydrogen 3.176 N/A SER 186.A OG LYS 182.A O no hydrogen 3.353 N/A SER 186.A OG VAL 183.A O no hydrogen 2.932 N/A GLN 187.A NE2 GLN 203.A OE1 no hydrogen 3.172 N/A ARG 188.A N ILE 202.A O no hydrogen 3.305 N/A ARG 188.A NH1 SER 186.A O no hydrogen 3.086 N/A ARG 190.A N ARG 200.A O no hydrogen 2.841 N/A ARG 190.A NE ARG 199.A O no hydrogen 2.583 N/A ARG 190.A NH2 ARG 199.A O no hydrogen 3.540 N/A LYS 195.A NZ GLY 192.A O no hydrogen 3.061 N/A ARG 197.A N GLY 194.A O no hydrogen 2.868 N/A ARG 199.A N GLY 194.A O no hydrogen 3.048 N/A ILE 202.A N ARG 188.A O no hydrogen 3.048 N/A ARG 204.A N SER 186.A OG no hydrogen 2.974 N/A CYS 208.A N PHE 249.A O no hydrogen 3.034 N/A CYS 208.A SG THR 228.A O no hydrogen 4.044 N/A ILE 209.A N THR 228.A O no hydrogen 2.930 N/A ILE 210.A N ILE 251.A O no hydrogen 2.796 N/A TYR 211.A N LEU 230.A O no hydrogen 3.172 N/A ASN 212.A N GLU 159.A OE2 no hydrogen 3.029 N/A GLY 216.A N ASP 214.A OD1 no hydrogen 2.898 N/A ILE 218.A N ASP 214.A OD1 no hydrogen 3.345 N/A ALA 220.A N GLY 216.A O no hydrogen 3.137 N/A PHE 221.A N ILE 217.A O no hydrogen 3.448 N/A ASN 223.A N PHE 221.A O no hydrogen 2.392 N/A THR 228.A N PRO 207.A O no hydrogen 3.324 N/A LEU 230.A N ILE 209.A O no hydrogen 3.061 N/A VAL 232.A N TYR 211.A O no hydrogen 2.931 N/A LYS 234.A N ASN 231.A O no hydrogen 3.191 N/A LEU 238.A N ASN 236.A OD1 no hydrogen 3.373 N/A LYS 239.A N ASN 236.A O no hydrogen 3.194 N/A LEU 240.A N ASN 236.A O no hydrogen 2.977 N/A GLY 244.A N ALA 241.A O no hydrogen 3.133 N/A HIS 245.A N PRO 242.A O no hydrogen 3.465 N/A ARG 248.A NE GLY 206.A O no hydrogen 3.080 N/A ARG 248.A NH1 LYS 239.A O no hydrogen 2.819 N/A ARG 248.A NH2 GLY 206.A O no hydrogen 3.310 N/A ARG 248.A NH2 PRO 207.A O no hydrogen 3.536 N/A ARG 248.A NH2 THR 228.A OG1 no hydrogen 2.549 N/A CYS 250.A SG ARG 248.A O no hydrogen 3.337 N/A ILE 251.A N CYS 208.A O no hydrogen 2.794 N/A TRP 252.A N LEU 152.A O no hydrogen 2.830 N/A THR 253.A N ILE 210.A O no hydrogen 2.981 N/A THR 253.A OG1 GLU 159.A OE2 no hydrogen 2.939 N/A THR 253.A OG1 ILE 210.A O no hydrogen 3.527 N/A SER 255.A N ASP 156.A OD1 no hydrogen 2.907 N/A SER 255.A OG ASP 156.A OD2 no hydrogen 2.394 N/A ALA 256.A N THR 253.A OG1 no hydrogen 3.333 N/A PHE 257.A N THR 253.A O no hydrogen 2.899 N/A ARG 258.A N GLU 254.A O no hydrogen 3.414 N/A ARG 258.A NE GLU 254.A OE2 no hydrogen 2.672 N/A ARG 258.A NH2 GLU 254.A OE2 no hydrogen 2.622 N/A LYS 259.A N ALA 256.A O no hydrogen 3.361 N/A LYS 259.A NZ ASN 212.A OD1 no hydrogen 2.750 N/A GLU 262.A N LYS 259.A O no hydrogen 2.786 N/A LEU 263.A N LYS 259.A O no hydrogen 3.188 N/A TYR 264.A N LEU 260.A O no hydrogen 3.038 N/A TRP 267.A NE1 PRO 280.A O no hydrogen 2.799 N/A ALA 271.A N TYR 277.A O no hydrogen 3.195 N/A SER 272.A N GLU 262.A O no hydrogen 2.809 N/A LEU 273.A N GLU 262.A O no hydrogen 2.966 N/A ASN 276.A N LYS 274.A O no hydrogen 2.637 N/A ASN 278.A ND2 TRP 267.A O no hydrogen 3.424 N/A LEU 279.A N ASN 278.A OD1 no hydrogen 2.663 N/A HIS 282.A NE2 LYS 29.A O no hydrogen 2.867 N/A ARG 291.A N ASP 288.A O no hydrogen 3.206 N/A ILE 292.A N ASP 288.A O no hydrogen 2.953 N/A LEU 293.A N LEU 289.A O no hydrogen 2.755 N/A SER 295.A N ILE 292.A O no hydrogen 3.069 N/A SER 295.A OG ARG 291.A O no hydrogen 2.850 N/A SER 295.A OG ILE 292.A O no hydrogen 3.095 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.745 N/A GLN 299.A N SER 295.A O no hydrogen 3.110 N/A GLN 299.A NE2 LEU 293.A O no hydrogen 2.903 N/A ARG 300.A N PRO 296.A O no hydrogen 3.011 N/A ALA 301.A N ILE 298.A O no hydrogen 2.914 N/A ARG 303.A NH1 ALA 304.A O no hydrogen 3.399 N/A LYS 320.A N ASN 317.A O no hydrogen 3.097 N/A ASN 321.A N ASN 317.A O no hydrogen 2.771 N/A MET 325.A N ASN 321.A O no hydrogen 3.235 N/A LEU 326.A N LEU 322.A O no hydrogen 2.949 N/A LYS 327.A N ARG 323.A O no hydrogen 3.238 N/A LEU 328.A N MET 325.A O no hydrogen 3.264 N/A ASN 329.A N MET 325.A O no hydrogen 2.699 N/A ALA 332.A N ASN 329.A O no hydrogen 3.390 N/A MET 334.A N TYR 331.A O no hydrogen 3.159 N/A ARG 335.A N ALA 332.A O no hydrogen 3.166 N/A ASN 337.A N THR 333.A O no hydrogen 3.100 N/A THR 338.A N MET 334.A O no hydrogen 2.904 N/A ILE 339.A N ARG 335.A O no hydrogen 2.993 N/A LEU 340.A N ARG 336.A O no hydrogen 3.362 N/A ARG 341.A N ASN 337.A O no hydrogen 3.124 N/A GLN 342.A N THR 338.A O no hydrogen 3.192 N/A ALA 343.A N ILE 339.A O no hydrogen 3.149 N/A ARG 344.A N LEU 340.A O no hydrogen 2.985 N/A ASN 345.A N ARG 341.A O no hydrogen 3.053 N/A HIS 346.A N GLN 342.A O no hydrogen 3.250 N/A LYS 347.A N ALA 343.A O no hydrogen 3.168 N/A LEU 348.A N ARG 344.A O no hydrogen 3.243 N/A LEU 348.A N ASN 345.A O no hydrogen 3.244 N/A ARG 349.A N HIS 346.A O no hydrogen 3.356 N/A VAL 350.A N HIS 346.A O no hydrogen 3.338 N/A ALA 353.A N ARG 349.A O no hydrogen 3.357 N/A ALA 355.A N LYS 352.A O no hydrogen 3.382 N/A ALA 356.A N LYS 352.A O no hydrogen 3.329 N/A