==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-MAR-09 3GQS . COMPND 2 MOLECULE: ADENYLATE CYCLASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR K.A.MAJOREK,M.CYMBOROWSKI,M.CHRUSZCZ,E.EVDOKIMOVA,O.EGOROVA, . 201 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 37.3 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 38 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 4 3 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A S 0 0 92 0, 0.0 2,-0.6 0, 0.0 100,-0.2 0.000 360.0 360.0 360.0 157.5 47.6 56.4 38.9 2 4 A R E -A 100 0A 126 98,-2.2 98,-2.3 99,-0.1 2,-0.3 -0.865 360.0-165.2-114.8 111.7 45.1 54.4 41.0 3 5 A F E -AB 99 19A 11 16,-0.6 16,-2.2 -2,-0.6 2,-0.3 -0.758 5.4-175.8 -97.3 144.5 43.0 51.5 39.6 4 6 A L E -AB 98 18A 21 94,-2.3 94,-2.1 -2,-0.3 2,-0.6 -0.988 20.8-138.3-135.2 143.1 40.0 49.9 41.3 5 7 A L E -AB 97 17A 4 12,-2.7 12,-1.9 -2,-0.3 2,-0.5 -0.882 23.7-169.1 -97.8 119.9 37.9 47.0 40.3 6 8 A K E -AB 96 16A 7 90,-3.2 90,-2.0 -2,-0.6 2,-0.5 -0.957 16.6-139.0-112.4 128.5 34.2 47.7 40.9 7 9 A V E -A 95 0A 6 8,-2.5 7,-2.3 -2,-0.5 88,-0.3 -0.739 17.7-175.0 -79.2 125.6 31.5 45.0 40.6 8 10 A L 0 0 20 86,-2.2 87,-0.2 -2,-0.5 -1,-0.1 0.715 360.0 360.0 -93.0 -29.2 28.4 46.4 38.8 9 11 A A 0 0 42 85,-1.0 85,-2.2 4,-0.1 -1,-0.3 -0.943 360.0 360.0 170.5 360.0 25.9 43.4 39.1 10 ! 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 11 13 A A 0 0 90 0, 0.0 82,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0-118.0 25.4 39.2 41.9 12 14 A N > - 0 0 36 -3,-0.3 3,-1.4 3,-0.1 -5,-0.2 -0.208 360.0-177.8-119.0 38.0 27.9 40.9 44.4 13 15 A I T 3 + 0 0 70 1,-0.2 -5,-0.2 -5,-0.1 -4,-0.1 0.026 59.4 27.1 -44.4 136.0 26.9 44.5 43.3 14 16 A G T 3 S+ 0 0 54 -7,-2.3 -1,-0.2 1,-0.3 -6,-0.1 -0.224 78.3 138.8 107.6 -41.8 28.8 47.4 45.0 15 17 A A < - 0 0 52 -3,-1.4 -8,-2.5 -9,-0.1 2,-0.3 0.016 28.4-175.6 -44.1 134.2 32.1 45.6 45.8 16 18 A E E -B 6 0A 75 -10,-0.2 2,-0.4 2,-0.0 -10,-0.2 -0.970 5.5-179.3-141.7 129.2 35.3 47.8 45.1 17 19 A F E -B 5 0A 106 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.3 -0.982 28.0-126.0-134.2 125.3 39.0 46.8 45.4 18 20 A H E -B 4 0A 59 -2,-0.4 2,-0.6 -14,-0.2 -14,-0.2 -0.565 23.4-151.9 -69.5 122.4 42.2 48.7 44.8 19 21 A L E -B 3 0A 1 -16,-2.2 -16,-0.6 -2,-0.3 2,-0.1 -0.923 18.7-133.2-103.4 115.3 44.3 46.8 42.4 20 22 A D > - 0 0 52 -2,-0.6 3,-1.5 1,-0.1 32,-0.3 -0.332 20.3-103.4 -76.1 148.2 48.0 47.6 43.1 21 23 A S T 3 S+ 0 0 73 1,-0.3 33,-0.2 -20,-0.1 32,-0.2 -0.457 108.6 21.8 -71.1 138.2 50.5 48.4 40.3 22 24 A G T 3 S+ 0 0 40 30,-1.2 2,-0.3 31,-0.5 -1,-0.3 0.598 104.4 114.4 79.4 10.5 52.8 45.5 39.6 23 25 A K < - 0 0 107 -3,-1.5 29,-3.2 29,-0.3 2,-0.4 -0.828 54.9-145.0-118.3 160.1 50.3 43.0 41.0 24 26 A T E -F 51 0B 68 -2,-0.3 2,-0.4 27,-0.2 27,-0.2 -0.946 14.4-167.0-119.7 137.3 48.2 40.2 39.6 25 27 A Y E -F 50 0B 20 25,-2.5 25,-2.5 -2,-0.4 2,-0.5 -0.984 11.4-146.2-132.6 132.3 44.7 39.3 40.9 26 28 A I E -F 49 0B 27 -2,-0.4 10,-2.3 23,-0.2 9,-2.1 -0.833 11.0-156.3 -98.4 130.4 42.6 36.2 40.2 27 29 A V E +Fg 48 36B 0 21,-3.0 20,-2.4 -2,-0.5 21,-1.5 -0.920 37.6 118.5-106.2 124.2 38.8 36.7 39.9 28 30 A G E - g 0 37B 0 8,-2.2 10,-2.6 -2,-0.5 17,-0.3 -0.965 68.4-100.9-165.1-174.2 36.8 33.5 40.6 29 31 A S S S+ 0 0 37 15,-2.1 16,-0.2 -2,-0.3 17,-0.1 0.594 93.9 80.5 -95.9 -16.6 34.1 31.8 42.8 30 32 A D >> - 0 0 42 15,-1.6 4,-2.6 14,-0.3 3,-1.9 -0.856 62.2-158.8 -98.5 113.7 36.5 29.6 44.9 31 33 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.631 89.5 64.3 -67.4 -16.9 38.1 31.6 47.8 32 34 A Q T 34 S+ 0 0 179 1,-0.1 3,-0.1 13,-0.0 13,-0.0 0.501 120.3 21.0 -79.5 -9.4 41.0 29.0 48.1 33 35 A V T <4 S+ 0 0 55 -3,-1.9 2,-0.3 12,-0.2 -1,-0.1 0.535 112.6 74.4-128.5 -21.0 42.2 30.0 44.6 34 36 A A < - 0 0 9 -4,-2.6 -7,-0.2 1,-0.1 3,-0.2 -0.707 51.7-161.2-100.4 148.1 40.8 33.5 43.8 35 37 A D S S+ 0 0 88 -9,-2.1 2,-0.6 -2,-0.3 -8,-0.2 0.744 94.6 41.8 -89.6 -34.3 41.8 36.9 45.2 36 38 A I E S-g 27 0B 19 -10,-2.3 -8,-2.2 2,-0.0 2,-0.7 -0.965 87.4-158.4-112.8 105.0 38.5 38.6 44.3 37 39 A V E -g 28 0B 67 -2,-0.6 2,-0.5 -10,-0.2 -8,-0.2 -0.823 12.9-175.9 -98.0 119.5 35.9 36.0 45.2 38 40 A L - 0 0 4 -10,-2.6 5,-0.1 -2,-0.7 55,-0.0 -0.954 18.8-148.3-114.3 122.8 32.4 36.3 43.5 39 41 A S + 0 0 104 -2,-0.5 2,-0.3 3,-0.1 -10,-0.1 0.430 53.3 126.7 -77.0 4.4 29.8 33.8 44.7 40 42 A D > - 0 0 33 1,-0.1 3,-2.3 -12,-0.1 -2,-0.1 -0.440 61.0-136.5 -72.0 125.0 27.9 33.5 41.3 41 43 A M T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -2,-0.3 -12,-0.1 0.663 101.9 62.0 -47.7 -26.0 27.5 29.9 40.0 42 44 A S T 3 S+ 0 0 26 48,-0.1 2,-0.5 2,-0.1 25,-0.3 0.322 86.1 91.6 -91.6 4.0 28.4 31.0 36.5 43 45 A I S < S- 0 0 5 -3,-2.3 -14,-0.2 -5,-0.1 -15,-0.1 -0.893 80.3-122.1-101.4 122.9 31.9 32.1 37.6 44 46 A S - 0 0 25 -2,-0.5 -15,-2.1 1,-0.1 3,-0.4 -0.160 29.5-105.3 -56.4 153.9 34.7 29.5 37.4 45 47 A R S S+ 0 0 183 1,-0.3 -15,-1.6 -17,-0.3 2,-0.4 0.932 119.8 9.9 -51.0 -44.9 36.6 28.6 40.6 46 48 A Q S S+ 0 0 81 -18,-0.2 -1,-0.3 17,-0.2 -18,-0.2 -0.970 84.1 159.5-134.3 122.6 39.3 30.7 39.0 47 49 A H + 0 0 0 -20,-2.4 16,-2.7 -3,-0.4 18,-0.5 0.842 53.1 8.5-112.8 -48.6 38.1 32.5 36.0 48 50 A A E -FH 27 62B 0 -21,-1.5 -21,-3.0 14,-0.2 2,-0.4 -0.967 55.0-143.9-144.6 151.8 40.1 35.6 34.9 49 51 A K E -FH 26 61B 56 12,-2.2 12,-1.6 -2,-0.3 2,-0.5 -0.979 8.0-157.5-126.2 135.3 43.4 37.1 35.9 50 52 A I E -FH 25 60B 0 -25,-2.5 -25,-2.5 -2,-0.4 2,-0.6 -0.965 7.7-167.3-118.5 118.6 44.1 40.8 36.0 51 53 A I E -FH 24 59B 41 8,-2.4 8,-2.2 -2,-0.5 2,-0.8 -0.922 5.9-159.6-111.1 116.4 47.7 42.0 35.7 52 54 A I E - H 0 58B 1 -29,-3.2 -30,-1.2 -2,-0.6 -29,-0.3 -0.872 15.9-149.3 -98.6 113.4 48.5 45.5 36.6 53 55 A G > - 0 0 23 4,-2.5 3,-0.6 -2,-0.8 -31,-0.5 -0.240 26.7-106.8 -72.0 168.8 51.8 46.4 35.0 54 56 A N T 3 S+ 0 0 134 1,-0.2 -1,-0.1 -33,-0.2 -33,-0.1 0.563 109.9 59.7 -77.5 -3.1 54.0 48.9 36.6 55 57 A D T 3 S- 0 0 83 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 -0.178 121.6 -84.0-122.8 42.4 53.2 51.6 34.0 56 58 A N S < S+ 0 0 64 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.702 91.9 123.7 69.6 17.9 49.5 52.3 34.0 57 59 A S - 0 0 66 -4,-0.1 -4,-2.5 26,-0.1 2,-0.4 -0.883 43.0-160.7-112.0 145.2 48.7 49.4 31.7 58 60 A V E -H 52 0B 5 24,-0.5 24,-2.2 -2,-0.4 2,-0.4 -0.967 4.8-167.8-126.9 141.2 46.4 46.5 32.4 59 61 A L E -HI 51 81B 62 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.4 -0.943 4.8-160.0-122.0 146.3 46.0 43.0 31.0 60 62 A I E -HI 50 80B 0 20,-3.4 20,-2.5 -2,-0.4 2,-0.4 -0.959 10.2-171.2-125.8 151.8 43.2 40.6 31.4 61 63 A E E -HI 49 79B 51 -12,-1.6 -12,-2.2 -2,-0.4 2,-0.5 -0.996 22.8-126.2-145.8 137.7 43.5 36.9 30.8 62 64 A D E -H 48 0B 42 16,-2.4 2,-0.6 -2,-0.4 -14,-0.2 -0.767 14.5-155.2 -88.8 128.3 41.1 34.0 30.7 63 65 A L - 0 0 41 -16,-2.7 -17,-0.2 -2,-0.5 -15,-0.1 -0.342 64.6 -74.0-100.1 52.0 42.0 31.1 33.0 64 66 A G S S- 0 0 75 -2,-0.6 -16,-0.1 1,-0.1 -1,-0.1 0.845 76.7-175.5 59.7 36.7 40.3 28.3 31.1 65 67 A S - 0 0 15 -18,-0.5 -1,-0.1 1,-0.1 4,-0.1 -0.203 32.6-128.3 -63.8 152.0 36.9 29.6 32.3 66 68 A K S S+ 0 0 179 1,-0.2 -1,-0.1 2,-0.1 -23,-0.1 0.945 106.7 27.5 -61.7 -47.2 33.7 27.7 31.6 67 69 A N S S- 0 0 70 -25,-0.3 -1,-0.2 1,-0.2 24,-0.1 0.369 107.4-126.8-103.6 -6.7 31.8 30.8 30.2 68 70 A G - 0 0 3 -21,-0.1 2,-0.5 1,-0.1 23,-0.4 -0.095 24.4 -77.5 88.1 177.0 34.8 32.9 28.9 69 71 A V - 0 0 0 7,-0.4 7,-2.6 21,-0.1 2,-0.5 -0.987 42.8-164.2-122.7 117.0 35.8 36.5 29.5 70 72 A I E -CD 75 89A 52 19,-2.3 19,-3.0 -2,-0.5 2,-0.5 -0.917 5.0-170.7-108.3 123.0 33.8 39.1 27.6 71 73 A V E > S-CD 74 88A 0 3,-2.8 3,-2.8 -2,-0.5 17,-0.2 -0.972 74.1 -26.5-113.5 124.3 35.1 42.7 27.2 72 74 A E T 3 S- 0 0 13 15,-2.8 43,-0.4 -2,-0.5 -1,-0.2 0.874 131.2 -41.4 40.7 53.8 32.6 45.3 25.8 73 75 A G T 3 S+ 0 0 36 39,-1.2 2,-0.4 41,-0.4 -1,-0.3 0.454 118.1 104.3 80.3 0.9 30.8 42.6 23.9 74 76 A R E < -C 71 0A 109 -3,-2.8 -3,-2.8 40,-0.1 2,-0.6 -0.969 65.6-132.6-124.6 131.5 33.7 40.5 22.7 75 77 A K E -C 70 0A 137 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.658 31.3-127.4 -76.2 114.2 35.0 37.1 24.0 76 78 A I - 0 0 14 -7,-2.6 -7,-0.4 -2,-0.6 4,-0.1 -0.447 7.2-143.3 -73.0 139.9 38.7 37.4 24.4 77 79 A E S S- 0 0 109 -2,-0.1 -1,-0.1 2,-0.1 -16,-0.0 0.598 75.9 -42.6 -86.6 -17.7 40.7 34.6 22.6 78 80 A H S S- 0 0 67 -18,-0.1 -16,-2.4 -9,-0.1 2,-0.3 -0.040 116.0 -2.0-160.1 -57.2 43.3 34.4 25.3 79 81 A Q E +I 61 0B 90 -18,-0.2 2,-0.3 -20,-0.0 -18,-0.2 -0.978 62.6 169.8-147.5 129.3 44.7 37.6 26.8 80 82 A S E -I 60 0B 32 -20,-2.5 -20,-3.4 -2,-0.3 2,-0.1 -0.897 38.1 -88.3-140.3 168.2 44.1 41.2 26.1 81 83 A T E -I 59 0B 90 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.450 36.6-156.9 -64.2 139.6 44.5 44.9 27.1 82 84 A L - 0 0 4 -24,-2.2 -24,-0.5 -2,-0.1 2,-0.3 -0.999 8.6-158.9-125.5 127.5 41.9 46.2 29.5 83 85 A S > - 0 0 61 -2,-0.4 3,-1.4 1,-0.1 14,-0.4 -0.695 31.1 -85.9-104.6 154.5 41.3 49.9 29.6 84 86 A A T 3 S+ 0 0 34 -2,-0.3 14,-0.2 1,-0.2 -1,-0.1 -0.244 113.0 21.6 -48.0 143.3 39.7 52.1 32.3 85 87 A N T 3 S+ 0 0 17 12,-3.5 2,-0.6 1,-0.2 -1,-0.2 0.535 87.7 133.5 73.7 12.3 35.9 52.3 32.0 86 88 A Q < - 0 0 34 -3,-1.4 11,-0.4 11,-0.3 2,-0.2 -0.836 55.8-127.2 -97.3 117.4 35.5 49.0 30.0 87 89 A V - 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