==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUL-07 2QRE . COMPND 2 MOLECULE: SNF1-LIKE PROTEIN KINASE SSP2; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR X.JIN,R.TOWNLEY,L.SHAPIRO . 1028 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 707 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 4 0.4 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 . 75 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 4 2 0 2 0 2 5 6 0 3 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 0 1 0 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 PARALLEL BRIDGES PER LADDER . 18 2 3 6 2 0 4 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 2 0 0 2 2 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 1 451 A K 0 0 137 0, 0.0 170,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -53.7 -4.8 16.6 29.9 2 452 A W + 0 0 38 168,-0.1 142,-0.4 142,-0.1 2,-0.3 -0.566 360.0 154.1 -72.0 130.9 -7.6 15.7 27.4 3 453 A H E -A 169 0A 46 166,-2.0 166,-2.8 -2,-0.3 139,-0.1 -0.980 45.3 -87.6-154.2 150.9 -9.6 18.7 26.1 4 454 A F E S-A 168 0A 10 137,-0.5 164,-0.3 -2,-0.3 74,-0.1 -0.131 80.1 -22.2 -62.6 158.8 -11.6 19.4 23.0 5 455 A G S S- 0 0 0 162,-3.0 2,-0.5 75,-0.2 164,-0.3 0.329 96.9 -44.9 38.1-160.8 -10.0 20.8 19.8 6 456 A V E -H 78 0B 7 72,-2.3 72,-3.4 162,-0.1 -1,-0.1 -0.897 51.7-129.1-109.9 126.8 -6.7 22.8 19.6 7 457 A R E +H 77 0B 67 -2,-0.5 807,-0.3 70,-0.2 2,-0.3 -0.392 31.2 171.6 -65.1 145.0 -5.8 25.5 22.0 8 458 A C E -H 76 0B 0 68,-2.8 68,-3.4 804,-0.2 2,-0.3 -0.931 13.2-164.4-155.8 140.4 -4.6 28.8 20.6 9 459 A R E +H 75 0B 84 802,-2.8 2,-0.4 -2,-0.3 66,-0.2 -0.921 45.6 53.7-123.3 150.4 -3.9 32.2 22.2 10 460 A G S S+ 0 0 44 64,-2.6 2,-0.4 -2,-0.3 64,-0.1 -0.995 84.7 5.1 137.6-137.5 -3.5 35.6 20.5 11 461 A D >> - 0 0 71 -2,-0.4 4,-1.7 1,-0.1 3,-1.6 -0.774 61.6-121.5-102.1 134.0 -5.4 37.9 18.2 12 462 A A H 3> S+ 0 0 23 -2,-0.4 4,-1.1 1,-0.3 3,-0.3 0.808 107.7 23.2 -35.6 -66.6 -9.0 37.1 17.0 13 463 A P H 3> S+ 0 0 21 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.362 110.9 73.5 -94.2 7.2 -8.5 37.1 13.2 14 464 A E H <> S+ 0 0 100 -3,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.803 104.4 39.4 -82.5 -34.8 -4.7 36.4 13.4 15 465 A I H X S+ 0 0 0 -4,-1.7 4,-4.0 -3,-0.3 5,-0.2 0.849 111.3 57.8 -75.5 -39.0 -5.5 32.8 14.4 16 466 A L H X S+ 0 0 3 -4,-1.1 4,-1.5 -5,-0.3 -2,-0.2 0.885 110.7 44.0 -57.7 -37.2 -8.4 32.7 11.9 17 467 A L H X S+ 0 0 26 -4,-0.9 4,-2.9 2,-0.2 5,-0.2 0.871 111.2 53.1 -73.6 -40.3 -5.8 33.6 9.3 18 468 A A H X S+ 0 0 19 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.989 111.3 47.4 -50.8 -58.7 -3.5 31.0 10.8 19 469 A V H X S+ 0 0 2 -4,-4.0 4,-1.2 1,-0.2 -2,-0.2 0.783 112.0 50.4 -55.9 -33.1 -6.4 28.5 10.5 20 470 A Y H X S+ 0 0 2 -4,-1.5 4,-1.9 -5,-0.2 3,-0.3 0.962 111.3 46.5 -69.6 -48.4 -7.0 29.6 6.9 21 471 A R H X S+ 0 0 119 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.817 111.0 53.1 -63.8 -35.4 -3.3 29.2 5.7 22 472 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.849 107.4 52.1 -64.0 -37.4 -3.1 25.8 7.4 23 473 A L H X S+ 0 0 0 -4,-1.2 4,-1.2 -3,-0.3 5,-0.2 0.900 106.9 52.3 -68.8 -41.7 -6.2 24.6 5.5 24 474 A Q H >< S+ 0 0 75 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.948 105.2 56.8 -55.2 -50.2 -4.8 25.7 2.2 25 475 A R H 3< S+ 0 0 98 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 106.5 47.1 -56.8 -37.9 -1.6 23.8 2.8 26 476 A A H 3< S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.755 116.2-115.0 -73.2 -25.6 -3.3 20.4 3.4 27 477 A G << + 0 0 45 -4,-1.2 -3,-0.1 -3,-0.9 -2,-0.1 -0.129 66.2 144.6 115.3 -32.4 -5.4 21.1 0.2 28 478 A A - 0 0 2 -5,-0.2 -1,-0.4 21,-0.1 20,-0.2 -0.005 43.7-136.2 -45.2 136.1 -8.7 21.3 2.0 29 479 A Q B -I 47 0B 59 18,-2.4 18,-2.0 -3,-0.1 2,-0.3 -0.552 25.9-167.6 -90.3 166.2 -11.1 23.8 0.5 30 480 A F B -N 115 0C 0 85,-2.4 85,-5.1 16,-0.3 16,-0.2 -0.938 22.7-106.7-154.3 160.4 -13.0 26.1 2.7 31 481 A T - 0 0 24 -2,-0.3 83,-0.1 83,-0.2 15,-0.0 -0.474 35.0-138.8 -91.0 167.6 -15.9 28.6 2.9 32 482 A V - 0 0 65 81,-0.3 86,-0.0 -2,-0.2 9,-0.0 -0.966 25.2 -90.2-134.3 143.0 -15.2 32.3 3.3 33 483 A P - 0 0 18 0, 0.0 8,-0.0 0, 0.0 11,-0.0 -0.285 31.0-149.6 -52.3 132.6 -16.8 35.1 5.4 34 484 A K - 0 0 173 3,-0.0 6,-0.1 2,-0.0 2,-0.1 -0.933 17.9-139.6-102.2 99.5 -19.6 36.8 3.7 35 485 A P - 0 0 96 0, 0.0 2,-2.1 0, 0.0 0, 0.0 -0.384 19.9-116.4 -59.0 140.1 -19.5 40.4 5.0 36 486 A V 0 0 147 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 -0.396 360.0 360.0 -83.3 64.1 -23.0 41.7 5.7 37 487 A N 0 0 209 -2,-2.1 -1,-0.2 0, 0.0 -3,-0.0 0.894 360.0 360.0 64.4 360.0 -22.9 44.5 3.1 38 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 39 492 A S > 0 0 78 0, 0.0 3,-1.3 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 -20.8 -19.5 36.8 13.6 40 493 A D G > + 0 0 103 1,-0.3 3,-2.5 2,-0.1 0, 0.0 0.504 360.0 96.8 -69.3 -2.5 -19.9 33.6 11.7 41 494 A M G 3 S+ 0 0 13 1,-0.3 -1,-0.3 -7,-0.1 0, 0.0 0.673 78.0 60.2 -61.3 -16.7 -16.5 34.3 10.0 42 495 A Y G < S+ 0 0 2 -3,-1.3 26,-1.4 26,-0.1 2,-0.6 0.159 87.7 84.8 -96.6 13.5 -15.1 32.0 12.8 43 496 A T E < - J 0 67B 42 -3,-2.5 2,-0.4 24,-0.2 24,-0.2 -0.931 62.7-179.3-114.0 103.4 -17.3 29.1 11.5 44 497 A I E - J 0 66B 2 22,-2.5 22,-3.7 -2,-0.6 2,-0.6 -0.866 18.9-157.5-108.4 134.9 -15.4 27.4 8.6 45 498 A K E - J 0 65B 83 -2,-0.4 2,-0.4 20,-0.3 20,-0.3 -0.911 19.2-167.6-110.6 102.5 -16.7 24.5 6.6 46 499 A S E - J 0 64B 1 18,-2.7 18,-2.6 -2,-0.6 2,-0.7 -0.736 13.5-154.8 -95.9 134.4 -13.7 22.7 5.0 47 500 A R E -IJ 29 63B 67 -18,-2.0 -18,-2.4 -2,-0.4 2,-0.3 -0.914 17.8-168.5-107.8 107.8 -14.0 20.0 2.3 48 501 A W E - J 0 62B 5 14,-2.6 14,-2.7 -2,-0.7 2,-0.6 -0.731 21.3-127.4 -95.3 144.3 -10.9 17.7 2.3 49 502 A E E - J 0 61B 71 -2,-0.3 12,-0.2 12,-0.2 -21,-0.1 -0.795 27.0-127.8 -86.7 119.8 -10.0 15.1 -0.4 50 503 A I >> - 0 0 0 10,-1.5 4,-2.0 -2,-0.6 3,-1.9 -0.625 17.1-155.0 -75.9 108.5 -9.5 11.7 1.3 51 504 A P H 3> S+ 0 0 39 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.709 88.9 62.2 -61.5 -27.6 -6.0 10.6 0.0 52 505 A H H 34 S+ 0 0 4 1,-0.2 6,-0.1 2,-0.1 -2,-0.1 0.309 114.8 37.0 -80.2 9.9 -6.6 6.9 0.4 53 506 A C H X>>S+ 0 0 0 -3,-1.9 4,-2.4 7,-0.1 5,-0.8 0.611 110.2 57.5-122.9 -47.0 -9.4 7.3 -2.2 54 507 A K H 3<5S+ 0 0 112 -4,-2.0 3,-0.4 1,-0.2 -2,-0.1 0.947 108.4 47.4 -44.7 -61.3 -7.9 9.9 -4.5 55 508 A R T 3<5S+ 0 0 154 -4,-1.5 -1,-0.2 1,-0.3 -3,-0.1 0.633 113.6 50.1 -63.4 -18.1 -4.8 7.7 -5.3 56 509 A E T <45S- 0 0 130 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.779 122.2-108.7 -83.1 -35.2 -7.2 4.8 -5.8 57 510 A G T <5S+ 0 0 50 -4,-2.4 -3,-0.2 -3,-0.4 -2,-0.1 -0.033 75.8 126.6 130.9 -31.6 -9.4 6.9 -8.2 58 511 A K < - 0 0 48 -5,-0.8 2,-0.7 1,-0.1 -1,-0.4 -0.255 54.5-142.4 -54.2 136.8 -12.5 7.5 -6.1 59 512 A N + 0 0 58 -10,-0.0 2,-0.5 2,-0.0 29,-0.1 -0.627 45.8 149.3 -98.8 68.0 -13.7 11.1 -5.6 60 513 A T - 0 0 1 -2,-0.7 -10,-1.5 -10,-0.2 27,-0.3 -0.904 26.4-164.1 -99.6 132.0 -14.8 10.7 -2.0 61 514 A Y E -JK 49 86B 59 25,-2.9 25,-3.0 -2,-0.5 2,-0.4 -0.654 13.2-139.4-108.9 166.6 -14.5 13.7 0.2 62 515 A A E -JK 48 85B 2 -14,-2.7 -14,-2.6 23,-0.2 2,-0.6 -0.998 16.3-142.6-127.5 134.7 -14.5 14.3 4.0 63 516 A Y E +J 47 0B 35 21,-2.2 20,-3.2 -2,-0.4 2,-0.5 -0.854 19.4 177.8-110.9 115.7 -16.4 17.3 5.5 64 517 A I E -JK 46 82B 5 -18,-2.6 -18,-2.7 -2,-0.6 2,-0.3 -0.925 13.1-160.1-123.0 105.8 -14.9 19.2 8.6 65 518 A E E -JK 45 81B 35 16,-0.5 16,-2.0 -2,-0.5 2,-0.4 -0.636 13.8-156.7 -71.7 137.4 -16.6 22.3 10.2 66 519 A L E -JK 44 80B 0 -22,-3.7 -22,-2.5 -2,-0.3 2,-0.4 -0.983 9.7-172.4-115.6 134.5 -14.1 24.4 12.3 67 520 A Q E -JK 43 79B 22 12,-2.6 12,-2.5 -2,-0.4 2,-0.4 -0.968 10.4-152.7-126.6 141.9 -15.3 26.7 15.1 68 521 A L E - K 0 78B 3 -26,-1.4 2,-0.4 -2,-0.4 10,-0.2 -0.936 15.5-178.5-112.3 135.9 -13.4 29.2 17.2 69 522 A Y E - K 0 77B 40 8,-1.8 8,-2.2 -2,-0.4 2,-0.3 -0.987 29.1-122.2-128.0 143.6 -14.4 30.2 20.7 70 523 A E E -lK 136 76B 54 65,-1.6 67,-3.5 -2,-0.4 6,-0.2 -0.646 24.8-179.6 -72.6 138.9 -13.0 32.6 23.2 71 524 A V E S- 0 0 57 4,-3.2 5,-0.2 1,-0.7 -1,-0.2 0.717 70.8 -26.4-108.8 -43.5 -12.2 30.7 26.4 72 525 A M E > S- K 0 75B 106 3,-1.4 3,-2.8 64,-0.0 -1,-0.7 -0.924 100.7 -48.4-160.4 167.6 -11.0 33.7 28.3 73 526 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.183 130.3 0.3 -48.7 113.9 -9.4 37.1 27.2 74 527 A G T 3 S+ 0 0 31 1,-0.2 -64,-2.6 -64,-0.1 2,-0.4 0.103 112.7 101.7 96.5 -19.5 -6.7 36.2 24.7 75 528 A C E < +HK 9 72B 21 -3,-2.8 -4,-3.2 -66,-0.2 -3,-1.4 -0.863 47.1 176.9-110.3 131.9 -7.2 32.5 24.9 76 529 A F E -HK 8 70B 11 -68,-3.4 -68,-2.8 -2,-0.4 2,-0.5 -0.880 23.5-142.2-134.1 155.8 -9.1 30.5 22.2 77 530 A M E -HK 7 69B 13 -8,-2.2 -8,-1.8 -2,-0.3 2,-1.1 -0.979 10.0-150.0-114.4 128.0 -10.1 27.0 21.2 78 531 A L E -HK 6 68B 3 -72,-3.4 -72,-2.3 -2,-0.5 -10,-0.2 -0.821 22.7-159.6 -91.4 94.8 -10.2 25.8 17.6 79 532 A D E - 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