==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ACTIVATOR 15-JUN-07 2QAZ . COMPND 2 MOLECULE: SSPB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; . AUTHOR P CHIEN,R.A.GRANT,R.T.SAUER,T.A.BAKER . 464 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 36 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 3 3 9 0 4 0 2 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 . 1 1 7 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 8 A E 0 0 241 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 164.5 -7.7 -33.2 14.3 2 9 A D > - 0 0 42 1,-0.1 3,-0.8 2,-0.0 5,-0.1 -0.840 360.0-173.1-100.6 106.6 -9.5 -33.0 11.0 3 10 A L T 3 S+ 0 0 104 -2,-0.8 -1,-0.1 1,-0.2 0, 0.0 0.660 88.7 60.8 -69.5 -16.2 -7.5 -31.1 8.3 4 11 A M T 3 S- 0 0 1 147,-0.1 -1,-0.2 -3,-0.1 5,-0.1 0.761 96.2-146.7 -80.7 -26.5 -10.5 -31.4 6.1 5 12 A Q <> + 0 0 113 -3,-0.8 4,-2.1 3,-0.1 5,-0.2 0.937 31.5 166.8 57.8 55.6 -12.6 -29.4 8.6 6 13 A Y H > S+ 0 0 1 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.902 71.1 59.0 -66.0 -42.1 -15.9 -31.1 7.9 7 14 A E H > S+ 0 0 152 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 112.3 42.9 -54.2 -38.6 -17.6 -29.7 11.0 8 15 A A H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 114.1 47.8 -75.9 -39.5 -16.9 -26.3 9.6 9 16 A M H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.884 112.1 51.5 -69.1 -35.9 -17.8 -27.1 6.0 10 17 A A H X S+ 0 0 17 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.907 109.7 50.6 -64.6 -41.2 -21.1 -28.7 7.2 11 18 A Q H < S+ 0 0 77 -4,-1.5 4,-0.3 -5,-0.3 -2,-0.2 0.922 112.2 44.8 -63.5 -46.3 -21.8 -25.6 9.2 12 19 A D H >< S+ 0 0 95 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.919 112.8 52.5 -65.8 -41.1 -21.3 -23.2 6.2 13 20 A A H >< S+ 0 0 19 -4,-2.5 3,-2.5 1,-0.3 -1,-0.2 0.874 96.7 66.7 -62.2 -38.7 -23.3 -25.5 3.9 14 21 A L T >X S+ 0 0 31 -4,-2.2 3,-2.5 1,-0.3 4,-0.6 0.635 76.0 85.9 -60.7 -10.9 -26.2 -25.6 6.3 15 22 A R H X> S+ 0 0 22 -3,-1.5 4,-1.2 -4,-0.3 3,-0.6 0.795 78.1 70.7 -57.4 -23.5 -26.7 -21.9 5.5 16 23 A G H <> S+ 0 0 18 -3,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.598 81.9 68.1 -70.1 -12.6 -28.7 -23.3 2.7 17 24 A V H <> S+ 0 0 0 -3,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.912 99.2 50.5 -71.5 -40.7 -31.4 -24.4 5.0 18 25 A V H < S+ 0 0 65 -4,-1.7 3,-1.1 -3,-0.4 -2,-0.2 0.917 109.7 55.7 -69.4 -41.6 -41.0 -21.9 1.1 25 32 A A H 3< S+ 0 0 6 -4,-2.8 6,-0.2 1,-0.3 -1,-0.2 0.780 109.1 47.4 -61.8 -27.0 -42.0 -18.7 2.9 26 33 A A H 3< S+ 0 0 50 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.554 96.4 88.9 -91.9 -9.0 -42.2 -16.9 -0.5 27 34 A A S X< S- 0 0 45 -3,-1.1 3,-2.5 -4,-0.6 -3,-0.0 -0.454 101.3 -65.8 -84.3 161.5 -44.2 -19.6 -2.3 28 35 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.166 125.9 25.1 -47.2 130.6 -48.1 -19.7 -2.2 29 36 A G T 3 S- 0 0 81 -3,-0.1 -4,-0.1 -4,-0.1 -3,-0.1 0.213 96.7-139.0 98.4 -17.9 -49.2 -20.2 1.3 30 37 A G < - 0 0 24 -3,-2.5 -4,-0.1 -6,-0.2 -3,-0.1 -0.167 60.5 -9.3 60.5-155.2 -46.2 -18.9 3.1 31 38 A L S S- 0 0 20 -6,-0.2 2,-0.3 36,-0.2 92,-0.1 -0.542 81.7-108.8 -76.0 140.0 -44.8 -20.7 6.1 32 39 A P > - 0 0 45 0, 0.0 3,-2.6 0, 0.0 90,-0.1 -0.544 58.0 -72.6 -70.8 127.9 -47.1 -23.5 7.5 33 40 A E T 3 S+ 0 0 164 1,-0.3 89,-0.1 -2,-0.3 3,-0.1 -0.279 115.8 19.9 -53.4 145.0 -48.6 -22.5 10.8 34 41 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 73,-0.2 -0.809 96.0 109.2-104.2 29.2 -47.3 -22.2 13.4 35 42 A H < + 0 0 10 -3,-2.6 2,-0.3 71,-0.1 -4,-0.1 -0.382 35.0 163.0 -66.7 137.1 -43.8 -22.0 12.0 36 43 A H - 0 0 37 -2,-0.1 2,-0.4 -3,-0.1 71,-0.3 -0.967 25.9-125.8-148.8 158.5 -41.9 -18.7 12.2 37 44 A L E -A 66 0A 0 29,-2.7 29,-2.6 -2,-0.3 2,-0.5 -0.921 9.8-159.6-124.0 137.5 -38.3 -17.8 11.9 38 45 A Y E -AB 65 104A 103 66,-2.8 66,-1.9 -2,-0.4 2,-0.4 -0.912 20.0-175.5-103.0 127.9 -35.6 -16.0 13.8 39 46 A I E -AB 64 103A 0 25,-3.0 25,-3.0 -2,-0.5 2,-0.4 -0.988 4.0-169.3-128.9 123.6 -32.7 -14.9 11.6 40 47 A T E +AB 63 102A 14 62,-2.0 61,-2.9 -2,-0.4 62,-1.5 -0.933 13.4 166.8-114.6 135.1 -29.5 -13.2 13.0 41 48 A F E -AB 62 100A 2 21,-2.4 21,-2.2 -2,-0.4 2,-0.7 -0.949 43.0 -94.5-144.2 163.5 -26.9 -11.5 10.9 42 49 A K E > -A 61 0A 70 57,-2.5 3,-1.4 -2,-0.3 19,-0.3 -0.695 30.3-152.0 -80.1 112.4 -23.8 -9.3 11.0 43 50 A T T 3 S+ 0 0 7 17,-3.8 -1,-0.2 -2,-0.7 18,-0.1 0.811 93.6 42.8 -54.4 -34.6 -25.1 -5.7 10.3 44 51 A K T 3 S+ 0 0 158 16,-0.5 -1,-0.3 15,-0.1 3,-0.1 0.441 83.7 123.4 -96.7 2.4 -21.8 -4.7 8.8 45 52 A A S X S- 0 0 33 -3,-1.4 3,-1.4 15,-0.2 54,-0.1 -0.207 77.9 -81.9 -60.5 153.6 -21.0 -7.7 6.7 46 53 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.1 52,-0.1 3,-0.1 -0.323 112.7 15.9 -58.4 131.2 -20.4 -7.2 3.0 47 54 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.113 84.2 124.7 95.1 -25.2 -23.6 -6.9 1.1 48 55 A V < + 0 0 20 -3,-1.4 2,-0.3 -6,-0.2 -1,-0.3 -0.501 38.4 174.8 -70.1 142.6 -26.2 -6.3 3.9 49 56 A S B +D 94 0B 62 45,-2.7 45,-2.1 -2,-0.1 -5,-0.0 -0.996 16.1 113.8-152.6 145.8 -28.1 -3.2 3.1 50 57 A G S S- 0 0 29 -2,-0.3 43,-0.1 43,-0.2 2,-0.1 -0.935 70.4 -19.8 178.3-169.3 -31.1 -1.2 4.4 51 58 A P > - 0 0 36 0, 0.0 4,-2.9 0, 0.0 3,-0.3 -0.338 50.2-142.8 -59.2 127.6 -31.8 2.2 6.1 52 59 A Q H > S+ 0 0 160 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 101.6 57.9 -55.9 -44.3 -28.6 3.7 7.6 53 60 A D H > S+ 0 0 127 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.887 112.2 39.9 -54.3 -43.4 -30.7 5.0 10.5 54 61 A L H >4 S+ 0 0 9 -3,-0.3 3,-1.0 1,-0.2 4,-0.4 0.950 116.2 48.1 -73.5 -50.5 -31.9 1.5 11.3 55 62 A L H >< S+ 0 0 23 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.807 103.1 63.2 -61.7 -30.6 -28.6 -0.3 10.8 56 63 A S H 3< S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 96.7 57.9 -64.1 -29.9 -26.7 2.3 12.8 57 64 A K T << S+ 0 0 161 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.586 103.7 57.1 -75.4 -11.5 -28.6 1.3 15.9 58 65 A Y S < S- 0 0 83 -3,-1.3 -1,-0.3 -4,-0.4 -15,-0.1 -0.648 70.5-178.3-123.2 73.3 -27.4 -2.3 15.4 59 66 A P S S- 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.755 74.8 -10.9 -39.0 -48.2 -23.6 -2.0 15.5 60 67 A D S S+ 0 0 86 1,-0.4 -17,-3.8 -17,-0.1 -16,-0.5 0.661 124.0 29.6-125.4 -64.1 -22.7 -5.6 14.8 61 68 A E E -A 42 0A 76 -19,-0.3 -1,-0.4 -18,-0.1 2,-0.3 -0.802 53.7-176.8-109.6 148.7 -25.5 -8.2 15.1 62 69 A M E -A 41 0A 3 -21,-2.2 -21,-2.4 -2,-0.3 2,-0.5 -1.000 11.7-152.4-140.6 137.9 -29.2 -7.9 14.4 63 70 A T E -A 40 0A 69 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.3 -0.946 14.2-176.4-114.5 127.8 -32.0 -10.5 14.7 64 71 A I E -A 39 0A 5 -25,-3.0 -25,-3.0 -2,-0.5 2,-0.4 -0.825 12.7-143.4-117.7 160.6 -35.2 -10.3 12.6 65 72 A V E -A 38 0A 56 -2,-0.3 2,-0.7 -27,-0.2 -27,-0.2 -0.985 5.0-159.2-130.7 130.7 -38.3 -12.5 12.7 66 73 A L E +A 37 0A 0 -29,-2.6 -29,-2.7 -2,-0.4 4,-0.0 -0.920 48.4 113.3-108.2 112.4 -40.5 -13.8 9.9 67 74 A Q S S- 0 0 90 -2,-0.7 -36,-0.2 -31,-0.2 -1,-0.1 0.320 91.8 -38.4-139.2 -79.2 -44.0 -14.7 11.3 68 75 A H S S+ 0 0 133 -3,-0.1 2,-2.3 1,-0.1 -2,-0.0 0.666 118.6 73.2-124.5 -43.7 -46.9 -12.6 10.0 69 76 A Q S S+ 0 0 117 16,-0.0 16,-0.6 -4,-0.0 2,-0.3 -0.324 77.1 99.5 -74.9 60.2 -45.7 -8.9 9.9 70 77 A Y E -E 84 0B 38 -2,-2.3 2,-0.3 14,-0.1 14,-0.2 -0.997 48.5-164.4-144.8 148.7 -43.4 -9.2 6.8 71 78 A W E +E 83 0B 95 12,-2.4 12,-2.3 -2,-0.3 -2,-0.0 -0.938 57.4 10.0-135.9 157.0 -43.9 -8.4 3.1 72 79 A D E - 0 0 118 -2,-0.3 2,-0.3 10,-0.2 -1,-0.2 0.868 66.2-166.0 46.6 53.2 -42.4 -9.0 -0.3 73 80 A L E - 0 0 24 -48,-0.1 9,-0.2 9,-0.1 -1,-0.2 -0.499 7.0-175.1 -68.0 128.9 -40.0 -11.7 0.7 74 81 A A E -E 81 0B 50 7,-3.1 7,-1.6 -2,-0.3 2,-0.9 -0.793 0.4-174.4-130.9 90.6 -37.5 -12.2 -2.2 75 82 A P E +E 80 0B 20 0, 0.0 5,-0.2 0, 0.0 -49,-0.0 -0.752 10.2 174.0 -91.2 100.0 -35.1 -15.1 -1.5 76 83 A G - 0 0 31 3,-2.0 -53,-0.1 -2,-0.9 -2,-0.0 -0.117 46.6 -95.3 -89.7-168.5 -32.4 -15.4 -4.2 77 84 A E S S+ 0 0 127 1,-0.1 3,-0.1 -2,-0.0 -58,-0.1 0.678 120.0 25.8 -84.7 -18.3 -29.5 -17.8 -4.3 78 85 A T S S- 0 0 102 1,-0.4 19,-1.4 19,-0.1 20,-0.5 0.691 131.5 -0.3-115.6 -29.8 -27.0 -15.3 -2.8 79 86 A F E - F 0 96B 112 17,-0.3 -3,-2.0 18,-0.1 -1,-0.4 -0.969 58.8-141.4-154.4 163.9 -29.1 -13.0 -0.7 80 87 A F E -EF 75 95B 0 15,-2.1 15,-2.3 -2,-0.3 2,-0.3 -0.915 8.6-153.9-129.1 157.6 -32.7 -12.3 0.2 81 88 A S E +EF 74 94B 11 -7,-1.6 -7,-3.1 -2,-0.3 2,-0.3 -0.963 19.0 165.3-130.2 148.3 -34.7 -9.1 0.7 82 89 A V E - F 0 93B 0 11,-2.2 11,-2.7 -2,-0.3 2,-0.5 -0.986 31.5-124.4-159.5 157.5 -37.7 -8.5 2.9 83 90 A T E +EF 71 92B 21 -12,-2.3 -12,-2.4 -2,-0.3 2,-0.3 -0.945 34.5 166.0-113.3 125.8 -39.8 -5.8 4.3 84 91 A L E -EF 70 91B 9 7,-2.1 7,-3.1 -2,-0.5 2,-0.4 -0.834 33.3-111.0-130.2 165.5 -40.4 -5.7 8.1 85 92 A K E - F 0 90B 96 -16,-0.6 2,-0.4 -2,-0.3 -16,-0.0 -0.819 24.6-174.6-104.5 143.3 -41.7 -3.1 10.5 86 93 A F E > S- F 0 89B 40 3,-2.4 3,-2.5 -2,-0.4 -2,-0.0 -0.984 81.6 -8.5-135.3 120.8 -39.6 -1.3 13.1 87 94 A G T 3 S- 0 0 85 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.826 132.6 -57.8 60.7 28.6 -41.3 1.0 15.5 88 95 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.455 115.8 124.6 79.6 0.4 -44.3 0.4 13.3 89 96 A Q E < - F 0 86B 112 -3,-2.5 -3,-2.4 2,-0.0 -1,-0.2 -0.838 61.6-129.9 -99.0 120.5 -42.2 1.8 10.4 90 97 A P E + F 0 85B 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.470 33.7 176.8 -69.1 134.0 -41.9 -0.5 7.3 91 98 A K E - F 0 84B 58 -7,-3.1 -7,-2.1 -2,-0.2 2,-0.5 -0.998 25.7-126.6-146.4 139.1 -38.3 -0.9 6.1 92 99 A R E - F 0 83B 96 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.706 26.5-178.9 -89.3 126.8 -36.5 -2.9 3.4 93 100 A L E - F 0 82B 2 -11,-2.7 -11,-2.2 -2,-0.5 2,-0.4 -0.921 12.7-171.2-124.0 148.3 -33.5 -5.1 4.2 94 101 A S E +DF 49 81B 26 -45,-2.1 -45,-2.7 -2,-0.4 -13,-0.2 -0.997 14.3 173.9-133.6 127.4 -31.3 -7.3 2.0 95 102 A V E - 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