Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r68_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 3.A OE1 no hydrogen 2.725 N/A ARG 1.A N GLU 3.A OE2 no hydrogen 3.402 N/A GLU 3.A N GLU 3.A OE1 no hydrogen 2.459 N/A ARG 6.A N GLU 3.A O no hydrogen 3.322 N/A ARG 7.A NE MET 15.A O no hydrogen 3.317 N/A PHE 8.A N LEU 5.A O no hydrogen 3.188 N/A ARG 9.A NH1 ARG 6.A O no hydrogen 2.368 N/A LEU 10.A N ARG 7.A O no hydrogen 3.321 N/A ALA 11.A N PHE 8.A O no hydrogen 3.231 N/A GLY 19.A N VAL 16.A O no hydrogen 3.323 N/A LEU 20.A N PHE 17.A O no hydrogen 3.081 N/A TYR 27.A N ASP 24.A OD1 no hydrogen 2.814 N/A GLN 30.A N TYR 27.A O no hydrogen 2.899 N/A ILE 32.A N GLU 35.A OE2 no hydrogen 2.955 N/A GLU 35.A N ILE 32.A O no hydrogen 3.018 N/A ASP 36.A N LEU 33.A O no hydrogen 3.482 N/A THR 38.A N ASP 36.A OD1 no hydrogen 2.513 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.983 N/A PHE 39.A N ASP 36.A OD1 no hydrogen 2.865 N/A VAL 43.A N PHE 39.A O no hydrogen 3.417 N/A SER 45.A N PRO 41.A O no hydrogen 3.237 N/A SER 45.A N ARG 42.A O no hydrogen 3.294 N/A ALA 46.A N ARG 42.A O no hydrogen 2.905 N/A ILE 47.A N VAL 43.A O no hydrogen 3.192 N/A LYS 49.A N SER 45.A O no hydrogen 2.698 N/A ARG 50.A N ALA 46.A O no hydrogen 3.288 N/A ARG 50.A NH1 ASP 60.A OD2 no hydrogen 2.228 N/A ARG 50.A NH2 ALA 11.A O no hydrogen 2.424 N/A ILE 51.A N LYS 48.A O no hydrogen 3.100 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.698 N/A THR 53.A OG1 ARG 50.A O no hydrogen 2.465 N/A LEU 56.A N VAL 90.A O no hydrogen 3.151 N/A ARG 59.A N TRP 13.A O no hydrogen 3.253 N/A ALA 63.A N ARG 59.A O no hydrogen 2.882 N/A LEU 64.A N ASP 60.A O no hydrogen 2.473 N/A CYS 65.A N TRP 61.A O no hydrogen 2.983 N/A SER 66.A N ALA 62.A O no hydrogen 3.391 N/A SER 66.A OG ASP 22.A OD1 no hydrogen 2.553 N/A SER 67.A OG LEU 20.A O no hydrogen 2.901 N/A SER 67.A OG LEU 64.A O no hydrogen 3.023 N/A TYR 68.A N CYS 65.A O no hydrogen 2.828 N/A PHE 69.A N CYS 65.A O no hydrogen 2.372 N/A ALA 70.A N SER 66.A O no hydrogen 3.259 N/A ARG 81.A NH1 TYR 68.A O no hydrogen 3.238 N/A ARG 81.A NH2 TYR 68.A O no hydrogen 2.747 N/A GLY 82.A N CYS 78.A O no hydrogen 2.759 N/A HIS 83.A N VAL 79.A O no hydrogen 3.190 N/A ILE 84.A N LEU 80.A O no hydrogen 3.187 N/A ALA 85.A N ARG 81.A O no hydrogen 2.993 N/A GLN 86.A N GLY 82.A O no hydrogen 3.198 N/A GLN 86.A N HIS 83.A O no hydrogen 3.025 N/A LEU 89.A N GLN 86.A O no hydrogen 3.360 N/A VAL 90.A N GLY 87.A O no hydrogen 3.257 N/A LYS 92.A N LEU 89.A O no hydrogen 3.444 N/A THR 96.A OG1 TRP 93.A O no hydrogen 2.969 N/A ASP 102.A N PHE 99.A O no hydrogen 3.151 N/A ILE 112.A N ASP 102.A OD2 no hydrogen 2.827 N/A SER 113.A N GLY 110.A O no hydrogen 2.887 N/A SER 113.A OG GLY 109.A O no hydrogen 3.542 N/A SER 113.A OG GLY 110.A O no hydrogen 2.878 N/A GLN 115.A N VAL 111.A O no hydrogen 3.327 N/A LEU 117.A N SER 113.A O no hydrogen 3.140 N/A ALA 118.A N ARG 114.A O no hydrogen 3.067 N/A SER 119.A OG SER 121.A OG no hydrogen 2.967 N/A SER 119.A OG SER 122.A OG no hydrogen 3.050 N/A SER 121.A OG SER 119.A OG no hydrogen 2.967 N/A SER 122.A N SER 119.A OG no hydrogen 3.159 N/A SER 122.A OG SER 119.A OG no hydrogen 3.050 N/A LYS 125.A NZ SER 122.A O no hydrogen 2.391 N/A ILE 126.A N LEU 123.A O no hydrogen 3.300 N/A ALA 127.A N LEU 123.A O no hydrogen 3.338 N/A GLN 128.A NE2 GLU 124.A OE2 no hydrogen 2.901 N/A SER 133.A OG GLN 72.A OE1 no hydrogen 2.732 N/A LEU 135.A N SER 132.A O no hydrogen 3.065 N/A TRP 136.A N SER 132.A O no hydrogen 2.679 N/A ARG 138.A NE GLN 74.A OE1 no hydrogen 2.816 N/A ILE 139.A N LEU 135.A O no hydrogen 2.918 N/A PHE 140.A N LYS 137.A O no hydrogen 2.859 N/A THR 141.A N LYS 137.A O no hydrogen 2.832 N/A LEU 144.A N PHE 140.A O no hydrogen 3.285 N/A GLN 146.A N VAL 142.A O no hydrogen 2.898 N/A LEU 147.A N LEU 144.A O no hydrogen 3.316 N/A THR 149.A N GLN 146.A O no hydrogen 3.314 N/A THR 149.A OG1 GLN 146.A O no hydrogen 2.988 N/A ASP 152.A N ASP 151.A OD1 no hydrogen 2.591 N/A LYS 158.A N GLN 154.A O no hydrogen 2.750 N/A LYS 158.A NZ LEU 117.A O no hydrogen 3.269 N/A LYS 158.A NZ ALA 118.A O no hydrogen 2.599 N/A ILE 159.A N PHE 155.A O no hydrogen 2.873 N/A TRP 161.A N SER 157.A O no hydrogen 3.406 N/A LEU 162.A N LYS 158.A O no hydrogen 2.649 N/A LEU 163.A N ILE 159.A O no hydrogen 2.291 N/A GLY 164.A N SER 160.A O no hydrogen 2.948 N/A LEU 165.A N TRP 161.A O no hydrogen 2.748 N/A ALA 166.A N LEU 162.A O no hydrogen 3.337 N/A ALA 167.A N GLY 164.A O no hydrogen 2.895 N/A GLN 168.A N GLN 168.A OE1 no hydrogen 2.674 N/A TRP 169.A N LEU 165.A O no hydrogen 3.210 N/A ARG 173.A N VAL 170.A O no hydrogen 3.286 N/A ARG 173.A NE ALA 166.A O no hydrogen 2.358 N/A ARG 173.A NH2 ALA 166.A O no hydrogen 3.036 N/A ASP 175.A N PHE 172.A O no hydrogen 2.943 N/A ILE 176.A N PHE 172.A O no hydrogen 2.449 N/A MET 177.A N ARG 173.A O no hydrogen 3.248 N/A THR 178.A OG1 ASP 174.A O no hydrogen 2.280 N/A ALA 179.A N ILE 176.A O no hydrogen 3.141 N/A THR 180.A OG1 ILE 176.A O no hydrogen 2.391 N/A THR 182.A OG1 THR 178.A O no hydrogen 3.235 N/A ARG 183.A NE LEU 147.A O no hydrogen 2.861 N/A TYR 184.A N THR 180.A O no hydrogen 3.125 N/A TYR 185.A N LEU 181.A O no hydrogen 2.918 N/A TYR 185.A N THR 182.A O no hydrogen 3.307 N/A HIS 186.A N THR 182.A O no hydrogen 3.428 N/A SER 187.A N ARG 183.A O no hydrogen 3.053 N/A SER 187.A OG TYR 184.A O no hydrogen 2.931 N/A GLY 188.A N TYR 185.A O no hydrogen 3.363 N/A TYR 189.A N SER 187.A OG no hydrogen 3.375 N/A ARG 190.A NH2 TYR 185.A OH no hydrogen 2.680 N/A LEU 197.A N HIS 194.A ND1 no hydrogen 2.931 N/A LYS 198.A N HIS 194.A O no hydrogen 3.135 N/A GLN 199.A N PRO 195.A O no hydrogen 2.529 N/A ALA 200.A N ALA 196.A O no hydrogen 2.740 N/A ALA 201.A N LEU 197.A O no hydrogen 2.696 N/A LEU 202.A N LYS 198.A O no hydrogen 3.451 N/A GLU 203.A N GLN 199.A O no hydrogen 2.920 N/A TYR 204.A N ALA 200.A O no hydrogen 2.937 N/A TRP 205.A N ALA 201.A O no hydrogen 3.199 N/A GLN 213.A N LYS 210.A O no hydrogen 3.117 N/A MET 221.A N VAL 218.A O no hydrogen 3.266 N/A ARG 223.A N ALA 219.A O no hydrogen 3.323 N/A ARG 223.A NH2 GLN 209.A O no hydrogen 2.818 N/A GLY 224.A N MET 221.A O no hydrogen 3.215 N/A TRP 225.A N VAL 222.A O no hydrogen 2.598 N/A LEU 226.A N VAL 222.A O no hydrogen 3.130 N/A ALA 227.A N ARG 223.A O no hydrogen 3.063 N/A GLN 229.A N TRP 225.A O no hydrogen 3.104 N/A LEU 231.A N ALA 227.A O no hydrogen 3.229 N/A LEU 231.A N LYS 228.A O no hydrogen 2.904 N/A THR 232.A N LYS 228.A O no hydrogen 2.746 N/A THR 232.A OG1 LYS 228.A O no hydrogen 3.328 N/A THR 232.A OG1 GLN 229.A O no hydrogen 3.257 N/A HIS 233.A N GLN 229.A O no hydrogen 3.092 N/A PHE 235.A N LEU 231.A O no hydrogen 3.128 N/A GLU 236.A N HIS 233.A O no hydrogen 3.397 N/A LEU 237.A N HIS 233.A O no hydrogen 2.622 N/A LEU 238.A N HIS 233.A O no hydrogen 2.889 N/A ASP 245.A N PHE 235.A O no hydrogen 3.367 N/A ARG 248.A NH1 HIS 356.A ND1 no hydrogen 3.104 N/A LEU 249.A N GLN 246.A O no hydrogen 3.001 N/A HIS 250.A N GLN 246.A O no hydrogen 3.095 N/A LEU 253.A N LEU 249.A O no hydrogen 2.519 N/A ARG 254.A N HIS 250.A O no hydrogen 2.935 N/A ARG 254.A NH2 ASP 376.A OD1 no hydrogen 2.584 N/A THR 262.A OG1 LEU 226.A O no hydrogen 2.253 N/A THR 262.A OG1 ASP 230.A OD2 no hydrogen 2.248 N/A ILE 265.A N ALA 301.A O no hydrogen 2.662 N/A MET 266.A N SER 290.A O no hydrogen 2.863 N/A SER 268.A OG ASN 297.A OD1 no hydrogen 3.189 N/A ASP 269.A N ASN 297.A O no hydrogen 2.972 N/A ASP 273.A N ALA 270.A O no hydrogen 3.202 N/A GLY 275.A N ASP 273.A OD1 no hydrogen 3.145 N/A PHE 278.A N ASP 277.A OD1 no hydrogen 2.403 N/A LYS 280.A N SER 276.A O no hydrogen 2.721 N/A PHE 281.A N ASP 277.A O no hydrogen 3.354 N/A ARG 282.A N PHE 278.A O no hydrogen 2.713 N/A ARG 282.A NH1 ALA 270.A O no hydrogen 2.743 N/A ARG 282.A NH2 ASP 273.A O no hydrogen 3.513 N/A GLU 283.A N LYS 280.A O no hydrogen 3.005 N/A GLU 284.A N LYS 280.A O no hydrogen 2.428 N/A ASN 285.A ND2 PHE 281.A O no hydrogen 3.654 N/A ARG 288.A N ASN 285.A O no hydrogen 3.117 N/A ARG 288.A NH1 ASP 230.A OD1 no hydrogen 3.105 N/A ARG 288.A NH1 ASP 230.A OD2 no hydrogen 2.491 N/A ARG 288.A NH2 ASP 230.A OD1 no hydrogen 3.406 N/A ARG 288.A NH2 ASN 285.A OD1 no hydrogen 2.782 N/A SER 290.A OG ILE 264.A O no hydrogen 3.399 N/A TYR 291.A N ARG 336.A O no hydrogen 2.566 N/A ARG 293.A N LEU 338.A O no hydrogen 2.479 N/A ASP 299.A N ARG 296.A O no hydrogen 3.103 N/A ALA 301.A N ILE 265.A O no hydrogen 3.246 N/A MET 302.A N GLU 313.A O no hydrogen 2.805 N/A VAL 303.A N ARG 263.A O no hydrogen 2.750 N/A MET 304.A N PHE 311.A O no hydrogen 2.521 N/A GLN 305.A N PHE 261.A O no hydrogen 3.018 N/A ILE 306.A N TYR 309.A O no hydrogen 2.956 N/A LEU 310.A N TYR 324.A O no hydrogen 2.646 N/A PHE 311.A N MET 304.A O no hydrogen 2.458 N/A VAL 312.A N TYR 322.A O no hydrogen 2.876 N/A GLU 313.A N MET 302.A O no hydrogen 3.421 N/A PHE 314.A N GLU 313.A OE2 no hydrogen 3.299 N/A SER 315.A N ASN 300.A O no hydrogen 3.057 N/A SER 315.A OG LEU 238.A O no hydrogen 3.106 N/A ASN 319.A N GLY 316.A O no hydrogen 3.027 N/A ASN 319.A ND2 GLY 316.A O no hydrogen 3.173 N/A ALA 323.A N LEU 352.A O no hydrogen 3.236 N/A TYR 324.A N LEU 310.A O no hydrogen 2.734 N/A TYR 324.A OH LEU 344.A O no hydrogen 2.475 N/A GLN 325.A NE2 ASP 308.A O no hydrogen 3.145 N/A HIS 328.A N GLN 325.A O no hydrogen 2.805 N/A GLU 334.A N ASN 332.A OD1 no hydrogen 3.278 N/A SER 335.A N ASN 332.A O no hydrogen 3.000 N/A LEU 338.A N TYR 291.A O no hydrogen 2.844 N/A ILE 340.A N ARG 293.A O no hydrogen 3.110 N/A ASN 341.A N ASP 339.A OD1 no hydrogen 2.674 N/A ILE 342.A N ASP 339.A OD1 no hydrogen 2.822 N/A HIS 343.A N ASP 339.A O no hydrogen 3.218 N/A LEU 344.A N ASP 339.A O no hydrogen 2.890 N/A LYS 345.A N ILE 340.A O no hydrogen 2.321 N/A LYS 345.A NZ ASN 319.A OD1 no hydrogen 2.896 N/A ARG 349.A N ASP 346.A O no hydrogen 3.095 N/A CYS 350.A SG ASP 346.A O no hydrogen 3.442 N/A CYS 350.A SG GLN 347.A O no hydrogen 3.643 N/A ALA 351.A N ALA 323.A O no hydrogen 2.680 N/A ASN 364.A N ARG 367.A O no hydrogen 3.182 N/A THR 369.A OG1 GLU 361.A O no hydrogen 2.522 N/A LEU 373.A N THR 369.A O no hydrogen 3.255 N/A LEU 373.A N GLY 370.A O no hydrogen 2.999 N/A LYS 374.A N GLY 370.A O no hydrogen 3.389 N/A LYS 374.A NZ GLY 370.A O no hydrogen 2.828 N/A TYR 375.A N TRP 371.A O no hydrogen 2.713 N/A TYR 375.A OH LEU 354.A O no hydrogen 2.783 N/A TYR 375.A OH PRO 355.A O no hydrogen 2.619 N/A ASP 376.A N MET 372.A O no hydrogen 2.683 N/A ASP 377.A N LEU 373.A O no hydrogen 2.843 N/A GLU 378.A N LYS 374.A O no hydrogen 2.928 N/A LEU 379.A N TYR 375.A O no hydrogen 3.373 N/A ARG 380.A N ASP 376.A O no hydrogen 2.533 N/A ARG 380.A NE ASP 376.A OD2 no hydrogen 3.375 N/A LYS 381.A N ASP 377.A O no hydrogen 3.023 N/A LEU 382.A N LEU 379.A O no hydrogen 3.172 N/A ARG 385.A NE GLY 383.A O no hydrogen 3.116 N/A GLU 389.A N GLU 389.A OE1 no hydrogen 2.578 N/A