==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-09 2KMM . COMPND 2 MOLECULE: GUANOSINE-3',5'-BIS(DIPHOSPHATE) 3'- . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR Y.YANG,T.A.RAMELOT,J.R.CORT,D.LEE,C.CICCOSANTI,K.HAMILTON, . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 417 A M 0 0 160 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.4 10.6 -6.9 10.8 2 418 A E - 0 0 117 14,-0.1 2,-0.5 15,-0.1 52,-0.1 -0.400 360.0-125.7 -83.4 165.5 7.5 -5.0 9.9 3 419 A V E -A 15 0A 23 12,-2.6 12,-2.3 -2,-0.1 2,-0.5 -0.941 13.8-144.2-116.7 131.3 7.4 -2.2 7.3 4 420 A M E +A 14 0A 81 -2,-0.5 51,-1.8 10,-0.2 2,-0.3 -0.789 24.7 173.8 -94.9 131.7 6.0 1.3 8.0 5 421 A V E -A 13 0A 0 8,-1.6 8,-1.8 -2,-0.5 2,-0.4 -0.881 21.2-135.5-132.0 164.2 4.1 3.1 5.2 6 422 A F E -Ab 12 57A 67 50,-0.8 52,-2.0 -2,-0.3 6,-0.2 -0.944 12.0-148.0-123.8 144.5 2.1 6.3 5.0 7 423 A T > - 0 0 7 4,-1.2 3,-2.1 -2,-0.4 52,-0.1 -0.486 40.3 -89.3-100.8 176.3 -1.3 6.9 3.3 8 424 A P T 3 S+ 0 0 76 0, 0.0 51,-0.1 0, 0.0 -1,-0.1 0.829 129.1 53.3 -54.7 -34.5 -2.6 10.1 1.5 9 425 A K T 3 S- 0 0 182 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.551 117.6-114.8 -81.3 -3.7 -4.0 11.4 4.8 10 426 A G < + 0 0 45 -3,-2.1 -1,-0.1 1,-0.2 2,-0.0 0.618 63.4 155.4 82.3 9.3 -0.5 10.9 6.4 11 427 A E - 0 0 111 1,-0.1 -4,-1.2 -5,-0.0 2,-0.6 -0.365 47.1-114.7 -69.9 150.8 -2.0 8.2 8.7 12 428 A I E +A 6 0A 79 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.754 36.7 175.6 -90.1 124.5 0.4 5.5 10.0 13 429 A K E -A 5 0A 68 -8,-1.8 -8,-1.6 -2,-0.6 2,-0.4 -0.945 12.3-160.7-131.5 112.4 -0.2 2.0 8.8 14 430 A R E -A 4 0A 165 -2,-0.5 -10,-0.2 -10,-0.2 -2,-0.0 -0.763 8.6-166.9 -94.0 136.2 2.2 -0.8 9.7 15 431 A L E -A 3 0A 3 -12,-2.3 -12,-2.6 -2,-0.4 4,-0.1 -0.925 24.0-106.8-122.3 148.2 2.2 -4.0 7.6 16 432 A P > - 0 0 74 0, 0.0 3,-1.2 0, 0.0 -14,-0.1 -0.247 51.4 -78.3 -69.2 157.2 3.8 -7.4 8.4 17 433 A Q T 3 S+ 0 0 137 1,-0.3 -15,-0.1 2,-0.0 0, 0.0 -0.255 121.2 28.5 -56.0 139.3 7.0 -8.6 6.5 18 434 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 34,-0.2 -16,-0.1 0.639 88.3 157.6 83.6 12.6 6.2 -9.9 3.0 19 435 A A < - 0 0 8 -3,-1.2 33,-1.3 33,-0.1 2,-0.2 -0.321 23.5-158.1 -69.1 154.8 3.2 -7.6 2.8 20 436 A T B > -C 51 0B 42 31,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.763 35.8 -94.1-127.5 174.6 1.8 -6.6 -0.7 21 437 A A H > S+ 0 0 6 27,-1.1 4,-2.0 29,-0.9 5,-0.2 0.873 124.6 58.1 -58.7 -34.6 -0.3 -3.8 -2.2 22 438 A L H > S+ 0 0 71 26,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.930 103.5 51.9 -62.8 -42.4 -3.3 -6.1 -1.8 23 439 A D H > S+ 0 0 47 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.924 107.8 51.7 -61.5 -43.0 -2.7 -6.3 2.0 24 440 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.930 105.4 55.4 -61.5 -43.2 -2.5 -2.5 2.3 25 441 A A H X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 8,-0.2 0.936 108.6 48.2 -56.7 -43.5 -5.8 -2.1 0.5 26 442 A Y H < S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.889 104.6 60.5 -65.0 -36.5 -7.4 -4.4 3.1 27 443 A S H < S+ 0 0 47 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.923 109.4 43.0 -58.5 -41.6 -5.8 -2.4 5.9 28 444 A L H < S- 0 0 44 -4,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.994 129.9 -39.2 -68.2 -73.8 -7.6 0.8 4.8 29 445 A H < - 0 0 130 -4,-1.6 -1,-0.2 1,-0.1 0, 0.0 -0.856 41.4-127.5-145.3-179.8 -11.1 -0.6 4.1 30 446 A S S > S+ 0 0 84 -2,-0.3 4,-2.6 3,-0.1 5,-0.2 0.858 103.6 37.9-100.1 -59.6 -13.0 -3.6 2.6 31 447 A D H > S+ 0 0 104 2,-0.2 4,-0.8 1,-0.2 -5,-0.0 0.952 123.1 43.7 -60.2 -48.7 -15.4 -2.2 -0.0 32 448 A L H >4 S+ 0 0 67 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.930 114.8 50.0 -63.6 -43.4 -12.9 0.5 -1.2 33 449 A G H >4 S+ 0 0 5 1,-0.2 3,-1.6 -8,-0.2 -1,-0.2 0.892 106.8 54.2 -64.5 -37.5 -10.0 -2.0 -1.2 34 450 A D H 3< S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.723 103.5 58.4 -70.1 -16.4 -12.0 -4.6 -3.2 35 451 A H T << S+ 0 0 98 -4,-0.8 28,-0.8 -3,-0.7 2,-0.6 0.196 75.8 131.0 -95.8 17.3 -12.6 -1.8 -5.8 36 452 A C E < +D 62 0C 32 -3,-1.6 26,-0.2 1,-0.2 3,-0.1 -0.587 29.2 175.5 -74.3 116.8 -8.8 -1.4 -6.2 37 453 A I E - 0 0 120 24,-1.8 2,-0.3 -2,-0.6 -1,-0.2 0.458 67.3 -16.1 -99.4 -2.8 -8.1 -1.4 -10.0 38 454 A G E -D 61 0C 14 23,-1.1 23,-1.5 9,-0.1 2,-0.3 -0.969 64.3-117.2-175.3-171.6 -4.4 -0.7 -9.5 39 455 A A E -D 60 0C 8 7,-0.4 7,-1.1 -2,-0.3 2,-0.4 -0.999 11.4-161.7-148.7 148.0 -1.7 0.5 -7.1 40 456 A K E -DE 59 45C 73 19,-2.0 19,-2.5 -2,-0.3 2,-0.4 -0.970 10.4-179.3-135.6 120.9 0.8 3.4 -6.9 41 457 A V E > S-DE 58 44C 3 3,-2.2 3,-2.0 -2,-0.4 17,-0.2 -0.967 71.1 -4.0-123.0 133.1 3.9 3.5 -4.7 42 458 A N T 3 S- 0 0 87 15,-2.2 -1,-0.2 -2,-0.4 3,-0.1 0.921 123.5 -66.0 56.5 43.3 6.4 6.3 -4.4 43 459 A H T 3 S+ 0 0 142 14,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.659 119.0 112.3 55.3 10.4 4.5 8.2 -7.2 44 460 A K E < S-E 41 0C 148 -3,-2.0 -3,-2.2 1,-0.0 -1,-0.2 -0.885 75.3-110.5-115.2 145.2 5.7 5.3 -9.3 45 461 A L E +E 40 0C 113 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.474 42.4 169.5 -72.9 141.4 3.6 2.6 -10.9 46 462 A V - 0 0 22 -7,-1.1 -7,-0.4 -2,-0.2 4,-0.1 -0.997 34.1-102.5-151.4 148.4 3.9 -0.9 -9.5 47 463 A P > - 0 0 81 0, 0.0 3,-1.5 0, 0.0 -26,-0.2 -0.171 34.6-110.4 -67.0 162.6 2.0 -4.2 -9.8 48 464 A L T 3 S+ 0 0 69 1,-0.3 -27,-1.1 -27,-0.1 -26,-0.7 0.907 120.6 54.8 -62.7 -40.3 -0.4 -5.5 -7.2 49 465 A S T 3 S+ 0 0 94 -29,-0.1 -1,-0.3 -28,-0.1 2,-0.2 0.374 83.6 128.7 -75.7 10.4 2.0 -8.3 -6.2 50 466 A Y < - 0 0 72 -3,-1.5 -29,-0.9 1,-0.1 2,-0.3 -0.445 65.3-119.2 -68.3 135.3 4.6 -5.6 -5.7 51 467 A V B -C 20 0B 78 -31,-0.2 -31,-0.2 -2,-0.2 2,-0.2 -0.581 27.3-123.5 -77.4 131.5 6.3 -5.8 -2.3 52 468 A L - 0 0 4 -33,-1.3 2,-0.3 -2,-0.3 -34,-0.2 -0.482 23.2-150.6 -75.3 144.1 5.8 -2.7 -0.1 53 469 A N - 0 0 68 -2,-0.2 3,-0.4 4,-0.1 -50,-0.1 -0.851 20.8-104.8-115.2 150.6 8.9 -0.8 1.1 54 470 A S S S+ 0 0 79 -2,-0.3 2,-0.9 1,-0.2 -49,-0.2 -0.331 101.4 19.1 -70.8 155.3 9.3 1.2 4.3 55 471 A G S S+ 0 0 53 -51,-1.8 -1,-0.2 1,-0.2 -50,-0.1 0.000 98.8 113.2 77.0 -36.6 9.3 5.0 4.2 56 472 A D S S- 0 0 45 -2,-0.9 -50,-0.8 -3,-0.4 2,-0.3 -0.386 71.8-119.8 -68.6 145.1 7.8 4.9 0.7 57 473 A Q B -b 6 0A 66 -52,-0.2 -15,-2.2 -3,-0.1 2,-0.4 -0.653 23.9-152.6 -86.3 140.2 4.2 6.2 0.4 58 474 A V E +D 41 0C 2 -52,-2.0 2,-0.4 -2,-0.3 -17,-0.2 -0.940 15.6 176.4-116.1 132.1 1.5 3.8 -0.7 59 475 A E E -D 40 0C 80 -19,-2.5 -19,-2.0 -2,-0.4 2,-0.3 -0.950 19.8-144.4-136.8 116.0 -1.7 4.9 -2.6 60 476 A V E -D 39 0C 30 -2,-0.4 2,-0.4 -21,-0.2 -21,-0.2 -0.583 18.4-129.6 -80.3 138.4 -4.3 2.4 -3.9 61 477 A L E +D 38 0C 54 -23,-1.5 -24,-1.8 -2,-0.3 -23,-1.1 -0.735 33.9 170.1 -89.9 130.9 -6.0 3.3 -7.2 62 478 A S E -D 36 0C 27 -2,-0.4 -26,-0.2 -26,-0.2 -29,-0.1 -0.994 39.5-141.4-140.0 146.2 -9.8 3.1 -7.2 63 479 A S - 0 0 60 -28,-0.8 3,-0.1 -2,-0.3 -27,-0.1 0.598 27.2-153.7 -81.7 -8.2 -12.5 4.2 -9.7 64 480 A K - 0 0 158 -29,-0.2 -1,-0.1 1,-0.1 -32,-0.0 0.840 26.8-177.1 39.1 34.6 -14.6 5.3 -6.7 65 481 A S - 0 0 68 1,-0.1 -1,-0.1 -30,-0.1 -2,-0.1 -0.332 28.8-152.4 -62.8 142.3 -17.5 4.7 -9.1 66 482 A L + 0 0 148 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.387 55.8 124.9 -95.6 2.9 -20.9 5.5 -7.7 67 483 A E - 0 0 133 2,-0.0 2,-0.3 1,-0.0 3,-0.1 -0.331 38.8-177.3 -62.9 143.7 -22.6 2.9 -10.0 68 484 A H + 0 0 144 1,-0.1 -2,-0.1 2,-0.1 -1,-0.0 -0.956 57.6 21.4-141.1 160.1 -24.7 0.3 -8.1 69 485 A H S S+ 0 0 173 -2,-0.3 4,-0.1 1,-0.1 -1,-0.1 0.746 77.1 138.3 55.7 19.1 -26.7 -2.8 -9.0 70 486 A H + 0 0 152 2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.939 59.5 55.2 -60.8 -44.7 -24.5 -2.8 -12.2 71 487 A H S S- 0 0 139 1,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.575 101.4-100.1 -89.3 154.0 -24.2 -6.6 -11.9 72 488 A H 0 0 157 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.544 360.0 360.0 -74.2 130.9 -27.2 -9.0 -11.8 73 489 A H 0 0 197 -2,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 0.070 360.0 360.0 -77.8 360.0 -28.0 -10.2 -8.2