==== 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 HYDROLASE 11-JUL-07 2QKM . COMPND 2 MOLECULE: SPBC3B9.21 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR M.SHE,H.SONG . 1416 19 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 990 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 142 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 382 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 3 1 1 0 2 3 3 5 2 5 2 1 0 6 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 1 0 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 PARALLEL BRIDGES PER LADDER . 10 0 6 12 4 4 5 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 3 3 0 4 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 1 A M 0 0 102 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 148.5 -2.4 -26.4 2.9 2 2 A E >> + 0 0 114 1,-0.2 4,-1.8 2,-0.2 3,-1.1 0.684 360.0 84.9 -77.9 -21.5 1.2 -27.5 3.2 3 3 A D H 3> S+ 0 0 92 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.883 83.9 59.7 -45.0 -48.2 2.1 -24.8 5.7 4 4 A E H 3> S+ 0 0 22 -3,-0.5 4,-3.1 1,-0.2 -1,-0.3 0.836 105.0 48.8 -51.9 -39.3 0.9 -27.0 8.5 5 5 A N H <> S+ 0 0 11 -3,-1.1 4,-2.6 -4,-0.3 5,-0.2 0.943 108.7 50.2 -70.1 -48.0 3.4 -29.7 7.6 6 6 A I H X S+ 0 0 90 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.933 116.5 45.4 -52.2 -45.1 6.4 -27.3 7.4 7 7 A L H X S+ 0 0 71 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.921 111.1 51.4 -60.5 -48.2 5.2 -26.2 10.8 8 8 A R H X S+ 0 0 44 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.808 109.5 51.6 -60.9 -33.2 4.7 -29.8 12.1 9 9 A N H X S+ 0 0 65 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.949 107.7 50.2 -68.7 -50.5 8.2 -30.7 11.0 10 10 A A H X S+ 0 0 48 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.862 111.4 48.7 -57.2 -40.9 9.9 -27.8 12.8 11 11 A V H X S+ 0 0 19 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.947 111.4 50.7 -65.0 -46.1 8.1 -28.5 16.1 12 12 A N H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.925 111.3 46.7 -56.4 -47.7 9.0 -32.2 15.8 13 13 A L H X S+ 0 0 49 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.815 112.7 49.9 -67.5 -35.9 12.7 -31.4 15.3 14 14 A Q H X S+ 0 0 112 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.939 109.1 52.1 -63.0 -50.9 12.8 -28.9 18.1 15 15 A V H X S+ 0 0 5 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.927 115.6 40.8 -54.3 -48.1 11.2 -31.4 20.5 16 16 A L H >X S+ 0 0 0 -4,-2.2 4,-3.9 1,-0.2 3,-0.8 0.940 113.3 50.7 -68.6 -53.1 13.8 -34.1 19.6 17 17 A K H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.5 60.1 -51.8 -32.0 16.8 -31.8 19.6 18 18 A F H 3< S+ 0 0 69 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.878 116.1 32.1 -64.6 -36.7 15.7 -30.5 23.0 19 19 A H H << S+ 0 0 29 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.827 140.1 19.6 -84.7 -35.9 16.0 -34.1 24.3 20 20 A Y >< - 0 0 55 -4,-3.9 3,-1.4 -5,-0.1 -1,-0.3 -0.848 63.4-171.7-140.5 97.1 18.9 -35.0 22.0 21 21 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.699 81.5 67.4 -70.8 -17.2 20.9 -32.1 20.5 22 22 A E T 3 S+ 0 0 113 -5,-0.0 35,-0.8 2,-0.0 2,-0.1 0.696 75.9 102.2 -69.4 -26.4 23.0 -34.3 18.2 23 23 A I E < +A 56 0A 0 -3,-1.4 33,-0.2 33,-0.2 3,-0.1 -0.407 40.5 168.6 -63.3 132.0 19.9 -35.2 16.1 24 24 A E E + 0 0 90 31,-2.2 2,-0.3 1,-0.3 32,-0.2 0.659 57.5 27.5-117.1 -24.5 19.9 -33.2 12.8 25 25 A S E -A 55 0A 45 30,-1.6 30,-2.7 -12,-0.0 2,-0.5 -0.986 56.6-144.5-144.0 142.8 17.2 -34.8 10.7 26 26 A I E -A 54 0A 40 -2,-0.3 28,-0.3 28,-0.2 3,-0.1 -0.962 15.0-176.2-103.6 125.2 13.9 -36.8 11.1 27 27 A I E - 0 0 43 26,-4.0 2,-0.3 -2,-0.5 27,-0.2 0.947 61.4 -20.5 -83.2 -55.4 13.5 -39.4 8.3 28 28 A D E -A 53 0A 26 25,-1.0 25,-4.0 410,-0.1 2,-0.4 -0.927 56.7-138.8-154.1 169.7 10.0 -40.7 9.1 29 29 A I E -A 52 0A 37 -2,-0.3 2,-0.4 23,-0.2 23,-0.2 -0.997 6.1-165.2-143.5 136.5 7.4 -41.1 11.9 30 30 A A E -A 51 0A 0 21,-2.3 21,-3.1 -2,-0.4 3,-0.2 -0.998 18.2-145.9-120.8 131.1 5.0 -43.6 13.3 31 31 A S E S+ 0 0 15 -2,-0.4 2,-0.4 1,-0.2 116,-0.1 0.833 83.7 25.3 -63.0 -41.4 2.3 -42.3 15.6 32 32 A H E + 0 0 57 18,-0.1 74,-2.1 75,-0.0 75,-0.4 -0.891 65.7 161.3-136.7 105.3 2.1 -45.3 17.9 33 33 A V E -AB 49 105A 0 16,-2.7 16,-2.2 -2,-0.4 2,-0.4 -0.969 19.7-156.1-121.2 139.1 4.8 -47.9 18.5 34 34 A A E -AB 48 104A 0 70,-1.7 70,-2.6 -2,-0.4 2,-0.4 -0.928 15.6-134.9-111.3 140.2 5.1 -50.3 21.5 35 35 A V E + B 0 103A 7 12,-2.2 10,-2.0 -2,-0.4 2,-0.3 -0.789 23.2 179.0-103.0 132.2 8.5 -51.7 22.6 36 36 A Y E -AB 44 102A 44 66,-2.4 66,-3.4 -2,-0.4 2,-0.2 -0.923 5.8-164.8-126.8 154.6 9.1 -55.4 23.4 37 37 A Q E -AB 43 101A 79 6,-2.3 6,-2.7 -2,-0.3 2,-0.3 -0.735 22.2-102.9-130.4 177.3 12.2 -57.3 24.5 38 38 A F E A 42 0A 72 62,-0.6 4,-0.2 -2,-0.2 62,-0.1 -0.830 360.0 360.0-109.2 144.4 13.4 -60.9 24.8 39 39 A D 0 0 145 2,-1.3 -1,-0.1 -2,-0.3 3,-0.1 0.438 360.0 360.0 49.2 360.0 13.7 -63.2 27.9 40 ! 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 41 44 A K 0 0 182 0, 0.0 -2,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -28.1 9.2 -65.2 24.7 42 45 A W E -A 38 0A 70 -4,-0.2 2,-0.4 -3,-0.1 -4,-0.2 -0.598 360.0-158.4 -70.8 135.4 8.4 -61.5 23.9 43 46 A L E -A 37 0A 95 -6,-2.7 -6,-2.3 -2,-0.3 2,-0.3 -0.968 15.3-121.7-117.6 140.0 8.1 -59.3 27.1 44 47 A K E -A 36 0A 124 -2,-0.4 -8,-0.2 -8,-0.2 2,-0.2 -0.590 26.0-154.1 -82.1 134.4 6.2 -56.0 27.2 45 48 A T E - 0 0 40 -10,-2.0 -10,-0.1 -2,-0.3 -1,-0.0 -0.477 26.4-117.1 -99.0 170.4 8.0 -52.9 28.2 46 49 A S E S+ 0 0 60 -2,-0.2 2,-0.5 -12,-0.1 23,-0.3 0.651 87.8 97.9 -75.4 -21.7 6.8 -49.6 29.7 47 50 A I E + 0 0 13 -12,-0.1 -12,-2.2 20,-0.1 2,-0.3 -0.625 41.2 138.7 -82.4 122.8 7.9 -47.7 26.6 48 51 A E E +A 34 0A 35 -2,-0.5 20,-3.6 -14,-0.2 21,-0.4 -0.900 26.9 87.1-164.0 124.5 5.1 -47.0 24.2 49 52 A G E S-AC 33 67A 0 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.3 -0.952 72.5 -9.2 172.5-154.4 4.6 -43.7 22.3 50 53 A T E - C 0 66A 2 16,-1.5 16,-2.7 93,-0.3 2,-0.4 -0.586 57.8-145.2 -81.3 132.2 5.4 -41.7 19.3 51 54 A F E -AC 30 65A 1 -21,-3.1 -21,-2.3 -2,-0.3 2,-0.4 -0.822 14.7-173.9-102.3 130.6 8.1 -43.1 17.0 52 55 A F E -AC 29 64A 0 12,-2.9 12,-2.4 -2,-0.4 2,-0.9 -0.987 17.5-146.8-125.3 123.3 10.6 -40.9 15.1 53 56 A L E -AC 28 63A 0 -25,-4.0 -26,-4.0 -2,-0.4 -25,-1.0 -0.798 34.4-173.5 -89.9 110.0 13.1 -42.3 12.7 54 57 A V E -AC 26 62A 0 8,-2.2 8,-2.8 -2,-0.9 2,-0.4 -0.641 26.1-143.4-111.9 159.4 16.1 -40.0 13.0 55 58 A K E -AC 25 61A 74 -30,-2.7 -31,-2.2 6,-0.2 -30,-1.6 -0.974 24.9-132.4-118.1 132.9 19.5 -39.3 11.5 56 59 A D E > -A 23 0A 14 4,-2.6 3,-1.2 -2,-0.4 -33,-0.2 -0.211 23.2-110.2 -75.9 168.9 22.5 -38.2 13.6 57 60 A Q T 3 S+ 0 0 97 -35,-0.8 -34,-0.1 1,-0.3 -1,-0.1 0.866 126.3 49.2 -69.0 -35.5 24.9 -35.4 13.0 58 61 A R T 3 S- 0 0 192 -36,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.262 132.4-101.8 -83.3 11.3 27.6 -37.9 12.2 59 62 A A < + 0 0 54 -3,-1.2 2,-0.5 1,-0.2 -2,-0.1 0.600 68.3 158.4 77.1 19.4 24.9 -39.4 10.0 60 63 A R - 0 0 96 -5,-0.1 -4,-2.6 1,-0.0 -1,-0.2 -0.592 35.6-137.5 -75.3 122.4 23.9 -42.3 12.3 61 64 A V E +C 55 0A 3 -2,-0.5 17,-1.9 17,-0.3 2,-0.3 -0.570 43.5 133.3 -75.9 141.5 20.4 -43.7 11.6 62 65 A G E -CD 54 77A 0 -8,-2.8 -8,-2.2 15,-0.3 2,-0.4 -0.940 41.4-112.8-165.6-171.3 18.3 -44.3 14.7 63 66 A Y E -CD 53 76A 1 13,-1.9 13,-1.5 -2,-0.3 2,-0.5 -0.999 8.5-155.6-145.7 145.3 14.9 -43.9 16.4 64 67 A V E -CD 52 75A 0 -12,-2.4 -12,-2.9 -2,-0.4 2,-0.6 -0.954 3.6-162.0-113.1 132.1 13.3 -42.1 19.3 65 68 A I E -CD 51 74A 0 9,-2.0 2,-1.4 -2,-0.5 9,-1.3 -0.980 12.3-150.8-103.1 115.9 10.2 -43.2 21.0 66 69 A L E -C 50 0A 0 -16,-2.7 -16,-1.5 -2,-0.6 7,-0.1 -0.749 32.2-130.5 -81.4 94.2 8.7 -40.2 23.0 67 70 A N E -C 49 0A 0 -2,-1.4 -18,-0.3 -18,-0.2 6,-0.1 -0.137 20.7-160.0 -53.9 133.6 7.1 -42.5 25.6 68 71 A R S S+ 0 0 23 -20,-3.6 -19,-0.1 1,-0.1 -1,-0.1 0.538 87.0 55.1 -86.4 -13.5 3.4 -41.9 26.6 69 72 A N S S- 0 0 59 -21,-0.4 -1,-0.1 1,-0.3 -22,-0.1 0.698 122.5 -10.4 -99.1 -25.1 3.5 -43.7 29.9 70 73 A S S S- 0 0 26 2,-0.1 -1,-0.3 -24,-0.1 99,-0.0 -0.943 75.0 -95.1-160.8 168.2 6.4 -41.8 31.6 71 74 A P S S+ 0 0 32 0, 0.0 2,-1.1 0, 0.0 56,-0.2 0.215 89.5 111.6 -74.7 16.7 9.1 -39.3 30.7 72 75 A E - 0 0 117 -26,-0.1 -3,-0.1 -6,-0.0 -2,-0.1 -0.723 52.0-174.7 -97.6 90.5 11.5 -42.2 30.2 73 76 A N - 0 0 29 -2,-1.1 2,-0.4 -6,-0.1 -7,-0.2 -0.313 17.9-130.4 -83.0 162.9 12.1 -42.3 26.5 74 77 A L E +D 65 0A 30 -9,-1.3 -9,-2.0 -2,-0.1 2,-0.3 -0.901 20.8 178.1-113.8 141.9 14.1 -44.7 24.4 75 78 A Y E +D 64 0A 46 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.901 10.7 167.0-147.0 112.3 16.8 -43.9 21.8 76 79 A L E -D 63 0A 35 -13,-1.5 -13,-1.9 -2,-0.3 2,-0.3 -0.964 26.5-130.3-130.0 145.1 18.7 -46.6 19.9 77 80 A F E -D 62 0A 68 -2,-0.4 2,-0.7 -15,-0.2 -15,-0.3 -0.675 6.0-146.0 -90.5 145.3 20.9 -46.8 16.8 78 81 A I - 0 0 6 -17,-1.9 -17,-0.3 -2,-0.3 17,-0.1 -0.906 20.9-178.7-107.0 100.4 20.6 -49.1 13.9 79 82 A N + 0 0 47 -2,-0.7 -1,-0.2 1,-0.2 -18,-0.1 0.873 62.7 13.3 -71.1 -42.4 24.2 -49.7 12.9 80 83 A H S > S- 0 0 120 1,-0.1 3,-2.7 0, 0.0 -1,-0.2 -0.997 71.7-119.0-141.6 141.1 23.9 -52.0 9.9 81 84 A P G > S+ 0 0 40 0, 0.0 3,-1.2 0, 0.0 38,-0.1 0.781 111.5 63.9 -45.4 -38.8 20.9 -53.0 7.6 82 85 A S G 3 S+ 0 0 84 1,-0.3 37,-0.0 37,-0.1 -3,-0.0 0.475 84.1 78.4 -67.5 -3.1 21.3 -56.7 8.6 83 86 A N G < S+ 0 0 32 -3,-2.7 11,-2.8 10,-0.1 2,-0.3 0.336 89.4 66.1 -87.0 6.8 20.4 -55.7 12.2 84 87 A V E < +E 93 0A 2 -3,-1.2 2,-0.3 9,-0.2 9,-0.2 -0.965 55.7 167.8-136.8 145.3 16.7 -55.5 11.3 85 88 A H E -E 92 0A 94 7,-1.7 7,-3.5 -2,-0.3 2,-0.8 -0.995 33.1-124.4-152.2 150.4 14.0 -58.0 10.2 86 89 A L E +E 91 0A 68 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.883 45.0 152.2-101.0 106.5 10.2 -58.3 9.8 87 90 A V E > -E 90 0A 72 3,-1.4 3,-3.6 -2,-0.8 -2,-0.1 -0.983 66.7 -10.2-127.0 143.4 8.9 -61.3 11.8 88 91 A D T 3 S- 0 0 123 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.679 124.9 -58.1 49.3 31.3 5.5 -61.8 13.3 89 92 A R T 3 S+ 0 0 71 1,-0.3 16,-0.4 15,-0.0 2,-0.3 0.521 114.1 117.0 71.7 8.5 4.4 -58.2 12.6 90 93 A Y E < -E 87 0A 29 -3,-3.6 -3,-1.4 14,-0.1 2,-0.7 -0.780 66.9-135.6 -97.6 149.8 7.4 -56.9 14.6 91 94 A L E -EF 86 103A 4 12,-2.0 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93A 8 -8,-2.7 -8,-2.2 -2,-0.7 2,-0.5 -0.798 8.4-154.9-100.1 143.1 14.1 -55.5 20.5 102 105 A G E -BF 36 92A 0 -66,-3.4 -66,-2.4 -2,-0.4 2,-0.6 -0.973 6.5-161.7-120.3 117.7 10.6 -55.9 19.1 103 106 A L E -BF 35 91A 2 -12,-1.8 -12,-2.0 -2,-0.5 2,-0.8 -0.868 2.1-160.9-101.4 122.4 8.9 -52.8 17.7 104 107 A W E -B 34 0A 68 -70,-2.6 -70,-1.7 -2,-0.6 2,-0.7 -0.859 2.0-163.2-109.4 101.0 5.1 -53.0 17.2 105 108 A M E -B 33 0A 0 -2,-0.8 -72,-0.2 -16,-0.4 6,-0.1 -0.723 11.3-152.5 -72.9 113.3 3.7 -50.4 14.8 106 109 A F S S+ 0 0 78 -74,-2.1 -1,-0.2 -2,-0.7 -73,-0.1 0.863 89.8 64.0 -56.2 -33.8 -0.0 -50.4 15.6 107 110 A D S >> S- 0 0 50 -75,-0.4 4,-1.7 1,-0.2 3,-0.7 -0.849 78.5-153.8 -91.8 114.5 -0.4 -49.3 12.0 108 111 A P H 3> S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.834 94.6 60.9 -55.3 -34.1 0.9 -52.2 9.7 109 112 A N H 3> S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 99.6 52.1 -62.1 -43.4 1.7 -49.5 7.1 110 113 A D H <> S+ 0 0 15 -3,-0.7 4,-2.8 2,-0.2 5,-0.3 0.949 106.7 57.6 -55.7 -46.9 4.1 -47.8 9.4 111 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