Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pvc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ARG 2.A O no hydrogen 3.009 N/A ALA 6.A N ASP 3.A O no hydrogen 3.143 N/A GLU 8.A N LEU 4.A O no hydrogen 2.949 N/A VAL 9.A N ALA 6.A O no hydrogen 3.026 N/A LYS 10.A N ALA 6.A O no hydrogen 2.835 N/A ALA 11.A N TYR 7.A O no hydrogen 2.971 N/A ARG 14.A N GLU 8.A O no hydrogen 3.067 N/A ASP 18.A N ASN 15.A O no hydrogen 2.435 N/A ILE 19.A N ILE 16.A O no hydrogen 2.665 N/A ILE 21.A N GLY 38.A O no hydrogen 3.062 N/A CYS 22.A SG ILE 65.A O no hydrogen 2.937 N/A GLY 24.A N CYS 20.A O no hydrogen 2.848 N/A HIS 29.A N ILE 39.A O no hydrogen 2.767 N/A GLU 36.A N GLN 122.A O no hydrogen 2.617 N/A CYS 43.A N CYS 40.A O no hydrogen 3.050 N/A LYS 44.A N CYS 40.A O no hydrogen 2.900 N/A LYS 44.A NZ ASP 45.A OD2 no hydrogen 2.793 N/A ASP 45.A N ALA 41.A O no hydrogen 3.059 N/A PHE 47.A N LYS 44.A O no hydrogen 2.387 N/A LEU 48.A N LYS 44.A O no hydrogen 3.204 N/A ASP 49.A N ASP 45.A O no hydrogen 3.258 N/A ALA 50.A N PHE 47.A O no hydrogen 2.609 N/A TYR 54.A OH THR 81.A OG1 no hydrogen 3.377 N/A ASP 55.A N TYR 59.A O no hydrogen 3.108 N/A GLY 58.A N ASP 55.A O no hydrogen 2.373 N/A TYR 59.A N ASP 57.A OD2 no hydrogen 3.240 N/A GLN 60.A N THR 81.A O no hydrogen 2.970 N/A SER 61.A N LEU 53.A O no hydrogen 2.636 N/A SER 61.A OG ASP 55.A OD1 no hydrogen 3.429 N/A CYS 63.A SG CYS 83.A O no hydrogen 4.022 N/A SER 64.A N CYS 83.A O no hydrogen 3.412 N/A SER 64.A OG CYS 83.A O no hydrogen 2.603 N/A CYS 67.A N CYS 63.A O no hydrogen 3.022 N/A CYS 67.A SG LYS 46.A O no hydrogen 3.709 N/A LEU 73.A N TYR 84.A O no hydrogen 2.835 N/A CYS 75.A N ARG 82.A O no hydrogen 3.249 N/A CYS 75.A SG TRP 107.A O no hydrogen 3.998 N/A GLY 76.A N TRP 107.A O no hydrogen 2.936 N/A ASP 79.A N ASN 77.A OD1 no hydrogen 3.441 N/A CYS 80.A N ASN 77.A O no hydrogen 2.941 N/A THR 81.A OG1 TYR 54.A OH no hydrogen 3.377 N/A CYS 83.A N SER 64.A OG no hydrogen 3.076 N/A CYS 83.A SG GLN 60.A O no hydrogen 3.751 N/A CYS 85.A SG SER 68.A O no hydrogen 3.717 N/A VAL 89.A N CYS 85.A O no hydrogen 3.403 N/A SER 91.A N GLU 87.A O no hydrogen 2.786 N/A SER 91.A OG GLU 87.A O no hydrogen 2.852 N/A LEU 92.A N CYS 88.A O no hydrogen 2.789 N/A VAL 93.A N VAL 89.A O no hydrogen 2.564 N/A THR 97.A N ASP 90.A OD1 no hydrogen 3.035 N/A THR 97.A OG1 ASP 90.A OD1 no hydrogen 2.696 N/A THR 97.A OG1 GLY 94.A O no hydrogen 3.058 N/A SER 98.A N ASP 90.A OD1 no hydrogen 2.651 N/A SER 98.A OG ASP 90.A OD1 no hydrogen 2.779 N/A SER 98.A OG ASP 90.A OD2 no hydrogen 2.584 N/A VAL 101.A N THR 97.A O no hydrogen 2.878 N/A HIS 102.A N SER 98.A O no hydrogen 2.986 N/A ALA 103.A N GLY 99.A O no hydrogen 3.221 N/A ALA 103.A N LYS 100.A O no hydrogen 2.505 N/A MET 104.A N VAL 101.A O no hydrogen 3.312 N/A SER 116.A OG PRO 114.A O no hydrogen 3.343 N/A LEU 120.A N LEU 92.A O no hydrogen 3.238 N/A GLN 122.A NE2 GLU 36.A OE2 no hydrogen 3.178 N/A ARG 123.A NE TYR 110.A O no hydrogen 3.266 N/A ARG 123.A NH2 LEU 113.A O no hydrogen 3.226 N/A ARG 124.A N LEU 34.A O no hydrogen 3.332 N/A ARG 124.A NE HIS 32.A O no hydrogen 2.948 N/A ARG 124.A NE PHE 35.A O no hydrogen 2.719 N/A ARG 124.A NH2 GLU 17.A OE1 no hydrogen 2.480 N/A ARG 128.A NH1 THR 148.A OG1 no hydrogen 2.571 N/A ARG 128.A NH1 GLU 340.A OE2 no hydrogen 2.771 N/A SER 129.A OG LYS 126.A O no hydrogen 2.612 N/A LEU 131.A N TRP 127.A O no hydrogen 2.718 N/A LYS 132.A N ARG 128.A O no hydrogen 3.187 N/A LYS 132.A NZ ASP 136.A OD1 no hydrogen 3.510 N/A LYS 132.A NZ ASP 136.A OD2 no hydrogen 2.846 N/A LYS 132.A NZ MET 145.A O no hydrogen 2.639 N/A ALA 133.A N SER 129.A O no hydrogen 3.286 N/A PHE 134.A N GLN 130.A O no hydrogen 2.833 N/A TYR 135.A N LEU 131.A O no hydrogen 3.441 N/A ASP 136.A N LYS 132.A O no hydrogen 3.082 N/A ARG 137.A N ALA 133.A O no hydrogen 2.849 N/A ARG 137.A N PHE 134.A O no hydrogen 2.742 N/A GLU 138.A N PHE 134.A O no hydrogen 2.686 N/A SER 139.A N TYR 135.A O no hydrogen 3.032 N/A ARG 153.A N PRO 150.A O no hydrogen 3.170 N/A ARG 154.A NE VAL 149.A O no hydrogen 2.632 N/A ARG 154.A NH2 VAL 149.A O no hydrogen 3.099 N/A ARG 158.A NE ASP 206.A OD1 no hydrogen 3.032 N/A VAL 159.A N GLN 184.A O no hydrogen 2.673 N/A LEU 160.A N LEU 207.A O no hydrogen 3.160 N/A SER 161.A N LYS 186.A O no hydrogen 2.883 N/A SER 161.A OG GLU 164.A O no hydrogen 3.235 N/A LEU 162.A N TYR 209.A O no hydrogen 2.860 N/A PHE 163.A N VAL 188.A O no hydrogen 3.156 N/A GLU 164.A N LEU 162.A O no hydrogen 2.718 N/A THR 171.A N LYS 167.A O no hydrogen 2.876 N/A THR 171.A N LYS 168.A O no hydrogen 2.991 N/A THR 171.A OG1 LYS 167.A O no hydrogen 3.228 N/A SER 172.A N LYS 168.A O no hydrogen 3.149 N/A SER 172.A OG GLU 169.A O no hydrogen 3.041 N/A LEU 173.A N GLU 169.A O no hydrogen 3.070 N/A PHE 175.A N LEU 170.A O no hydrogen 3.334 N/A SER 180.A OG SER 180.A O no hydrogen 2.583 N/A LYS 186.A N VAL 159.A O no hydrogen 2.838 N/A VAL 188.A N SER 161.A O no hydrogen 3.162 N/A VAL 195.A N ASP 198.A OD2 no hydrogen 2.957 N/A ASP 198.A N VAL 195.A O no hydrogen 2.536 N/A VAL 199.A N VAL 195.A O no hydrogen 3.413 N/A GLU 200.A N ARG 196.A O no hydrogen 2.851 N/A GLU 201.A N LYS 197.A O no hydrogen 2.736 N/A TRP 202.A N ASP 198.A O no hydrogen 2.811 N/A GLY 203.A N GLU 201.A O no hydrogen 2.508 N/A ASP 206.A N ARG 158.A O no hydrogen 3.212 N/A LEU 207.A N ARG 158.A O no hydrogen 3.305 N/A VAL 208.A N PHE 248.A O no hydrogen 2.719 N/A TYR 209.A N LEU 160.A O no hydrogen 2.708 N/A GLY 210.A N MET 250.A O no hydrogen 3.254 N/A THR 212.A OG1 PRO 213.A O no hydrogen 3.242 N/A HIS 217.A N LEU 215.A O no hydrogen 2.619 N/A THR 218.A OG1 GLY 216.A O no hydrogen 3.059 N/A SER 224.A OG PRO 222.A O no hydrogen 3.273 N/A SER 224.A OG ASP 261.A OD2 no hydrogen 3.084 N/A TRP 225.A N PRO 222.A O no hydrogen 2.608 N/A LEU 227.A N SER 224.A O no hydrogen 2.689 N/A PHE 228.A N SER 224.A O no hydrogen 3.138 N/A GLN 229.A N TRP 225.A O no hydrogen 3.103 N/A PHE 230.A N TYR 226.A O no hydrogen 3.311 N/A HIS 231.A N LEU 227.A O no hydrogen 2.854 N/A ARG 232.A N PHE 228.A O no hydrogen 2.752 N/A ARG 232.A NE TYR 236.A OH no hydrogen 2.767 N/A ARG 232.A NH1 GLN 229.A OE1 no hydrogen 3.059 N/A ARG 232.A NH2 TYR 236.A OH no hydrogen 3.495 N/A LEU 233.A N GLN 229.A O no hydrogen 2.949 N/A LEU 234.A N PHE 230.A O no hydrogen 3.028 N/A LEU 234.A N HIS 231.A O no hydrogen 3.210 N/A GLN 235.A N HIS 231.A O no hydrogen 3.487 N/A ALA 237.A N LEU 233.A O no hydrogen 3.093 N/A ARG 238.A N LEU 234.A O no hydrogen 3.035 N/A ARG 238.A NH1 GLN 235.A OE1 no hydrogen 3.272 N/A SER 243.A N LYS 240.A O no hydrogen 3.383 N/A PHE 248.A N ASP 206.A O no hydrogen 2.549 N/A TRP 249.A N ASN 293.A OD1 no hydrogen 3.036 N/A MET 250.A N VAL 208.A O no hydrogen 3.178 N/A PHE 251.A N TRP 291.A O no hydrogen 2.805 N/A VAL 252.A N GLY 210.A O no hydrogen 3.102 N/A ASP 253.A N ARG 289.A O no hydrogen 2.973 N/A VAL 256.A N ASP 253.A OD2 no hydrogen 2.715 N/A ASN 258.A ND2 ASP 261.A OD1 no hydrogen 3.444 N/A ASP 261.A N ASN 258.A OD1 no hydrogen 3.328 N/A LEU 262.A N ASN 258.A O no hydrogen 2.776 N/A ASP 263.A N LYS 259.A O no hydrogen 2.593 N/A VAL 264.A N GLU 260.A O no hydrogen 3.381 N/A ALA 265.A N ASP 261.A O no hydrogen 3.447 N/A SER 266.A N LEU 262.A O no hydrogen 3.436 N/A SER 266.A N ASP 263.A O no hydrogen 3.169 N/A ARG 267.A N VAL 264.A O no hydrogen 2.227 N/A PHE 268.A N VAL 264.A O no hydrogen 3.072 N/A LEU 269.A N ALA 265.A O no hydrogen 2.678 N/A GLU 270.A N ARG 267.A O no hydrogen 3.325 N/A MET 271.A N SER 266.A O no hydrogen 3.257 N/A VAL 274.A N VAL 290.A O no hydrogen 2.779 N/A THR 275.A N HIS 301.A ND1 no hydrogen 3.262 N/A ILE 276.A N VAL 288.A O no hydrogen 3.091 N/A ASP 278.A N ASN 286.A O no hydrogen 2.621 N/A HIS 280.A N SER 283.A O no hydrogen 3.100 N/A SER 283.A N HIS 280.A O no hydrogen 3.443 N/A SER 283.A OG GLY 281.A O no hydrogen 2.962 N/A GLN 285.A N ASP 278.A O no hydrogen 2.706 N/A ASN 286.A N ASP 278.A O no hydrogen 3.298 N/A ARG 289.A N ASP 253.A O no hydrogen 3.098 N/A VAL 290.A N VAL 274.A O no hydrogen 2.772 N/A TRP 291.A N PHE 251.A O no hydrogen 3.206 N/A TRP 291.A NE1 SER 266.A OG no hydrogen 2.895 N/A SER 292.A OG TRP 249.A O no hydrogen 3.033 N/A ASN 293.A N TRP 249.A O no hydrogen 3.390 N/A ASN 293.A ND2 PHE 247.A O no hydrogen 2.796 N/A ILE 294.A N SER 292.A OG no hydrogen 2.715 N/A HIS 301.A N ARG 298.A O no hydrogen 3.194 N/A TRP 302.A N THR 275.A O no hydrogen 3.173 N/A VAL 305.A N TRP 302.A O no hydrogen 3.209 N/A SER 306.A OG GLU 307.A OE2 no hydrogen 2.833 N/A GLU 308.A N GLU 307.A OE2 no hydrogen 2.782 N/A GLU 309.A N SER 306.A O no hydrogen 2.846 N/A LEU 310.A N GLU 307.A O no hydrogen 2.507 N/A SER 311.A N GLU 307.A O no hydrogen 2.920 N/A SER 311.A OG GLU 307.A O no hydrogen 3.432 N/A ALA 314.A N LEU 310.A O no hydrogen 2.753 N/A GLN 315.A N SER 311.A O no hydrogen 2.674 N/A ASN 316.A N LEU 312.A O no hydrogen 2.921 N/A ASN 316.A ND2 LEU 312.A O no hydrogen 3.041 N/A GLN 318.A N ALA 314.A O no hydrogen 3.197 N/A GLN 318.A N GLN 315.A O no hydrogen 3.115 N/A SER 319.A N GLN 315.A O no hydrogen 3.469 N/A SER 320.A N GLN 318.A O no hydrogen 2.538 N/A SER 320.A OG LYS 317.A O no hydrogen 3.315 N/A TRP 326.A NE1 ASN 254.A OD1 no hydrogen 2.884 N/A THR 328.A N TRP 326.A O no hydrogen 2.551 N/A THR 328.A OG1 TRP 326.A O no hydrogen 3.492 N/A LYS 332.A N THR 328.A O no hydrogen 3.068 N/A CYS 334.A N VAL 331.A O no hydrogen 2.306 N/A LEU 338.A N PHE 335.A O no hydrogen 2.599 N/A ARG 339.A N LEU 336.A O no hydrogen 2.653 N/A ARG 339.A NH1 GLY 58.A O no hydrogen 3.442 N/A ARG 339.A NH2 LEU 173.A O no hydrogen 2.845 N/A GLU 340.A N PRO 337.A O no hydrogen 2.823 N/A TYR 341.A N LEU 338.A O no hydrogen 2.700 N/A TYR 341.A OH PHE 146.A O no hydrogen 2.299 N/A PHE 342.A N LEU 338.A O no hydrogen 2.942 N/A LYS 343.A N GLN 155.A O no hydrogen 3.134 N/A PHE 345.A N GLY 174.A O no hydrogen 2.694 N/A