==== 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 CHAPERONE 28-MAY-07 2Q2I . COMPND 2 MOLECULE: SECRETION CHAPERONE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR A.R.FELDMAN,Y.A.SHAPOVA,M.PAETZEL . 221 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 59.3 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 . 73 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 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 . 2 2 5 0 2 3 1 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 . 5 0 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 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 2 A S 0 0 94 0, 0.0 3,-0.1 0, 0.0 125,-0.1 0.000 360.0 360.0 360.0 133.2 -36.7 -16.2 10.3 2 3 A G - 0 0 59 1,-0.1 124,-0.1 123,-0.0 180,-0.1 -0.063 360.0 -76.8 -61.4 165.7 -38.5 -14.1 13.0 3 4 A E - 0 0 128 122,-0.1 2,-0.3 1,-0.1 180,-0.2 -0.265 50.9-159.2 -66.3 152.6 -39.8 -10.6 12.2 4 5 A I - 0 0 14 178,-2.4 2,-0.1 -3,-0.1 -1,-0.1 -0.874 15.7-112.0-130.6 161.6 -37.4 -7.7 12.0 5 6 A S > - 0 0 56 -2,-0.3 4,-1.0 178,-0.1 3,-0.2 -0.453 34.6-111.0 -78.6 163.2 -37.4 -3.9 12.2 6 7 A Y H >> S+ 0 0 102 1,-0.2 4,-3.4 2,-0.2 3,-0.7 0.896 119.1 60.3 -58.5 -38.9 -36.7 -1.7 9.3 7 8 A A H 3> S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 101.4 52.3 -57.8 -39.8 -33.4 -0.8 11.0 8 9 A D H 34 S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.728 113.9 43.4 -74.1 -20.8 -32.2 -4.4 10.9 9 10 A F H X< S+ 0 0 4 -4,-1.0 3,-1.6 -3,-0.7 -2,-0.2 0.883 112.7 51.7 -78.3 -50.2 -33.0 -4.6 7.2 10 11 A E H 3< S+ 0 0 98 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.815 98.7 64.2 -60.9 -31.7 -31.4 -1.2 6.4 11 12 A K T 3< S+ 0 0 76 -4,-2.0 2,-0.7 -5,-0.2 -1,-0.3 0.653 83.8 85.6 -68.6 -16.4 -28.1 -2.0 8.2 12 13 A V S < S- 0 0 4 -3,-1.6 2,-1.2 -5,-0.1 104,-0.1 -0.806 80.5-145.7 -82.8 115.2 -27.5 -4.7 5.6 13 14 A D + 0 0 4 -2,-0.7 57,-2.8 102,-0.2 2,-0.5 -0.713 24.3 174.8 -96.1 95.8 -25.8 -2.8 2.8 14 15 A I E +A 69 0A 5 -2,-1.2 97,-2.7 97,-0.3 2,-0.3 -0.884 7.3 177.2-101.5 124.9 -26.9 -4.3 -0.5 15 16 A R E -AB 68 110A 41 53,-2.4 53,-2.5 -2,-0.5 2,-0.3 -0.899 27.9-125.3-123.5 155.4 -25.7 -2.4 -3.6 16 17 A V E +A 67 0A 0 93,-1.8 92,-3.3 -2,-0.3 2,-0.3 -0.779 38.1 163.6 -94.5 141.3 -26.0 -2.9 -7.4 17 18 A G E -A 66 0A 0 49,-2.2 49,-2.5 -2,-0.3 2,-0.5 -0.951 35.1-109.7-150.9 170.0 -22.7 -2.9 -9.4 18 19 A T E -AC 65 38A 27 20,-2.1 20,-3.1 -2,-0.3 2,-0.3 -0.903 29.1-120.3-111.6 127.8 -21.4 -3.9 -12.8 19 20 A I E + C 0 37A 4 45,-2.9 44,-3.0 -2,-0.5 18,-0.3 -0.498 33.5 172.3 -65.0 127.0 -19.1 -6.9 -13.3 20 21 A V E + 0 0 67 16,-2.9 2,-0.3 1,-0.3 17,-0.2 0.562 65.3 23.2-110.9 -17.6 -15.8 -5.6 -14.9 21 22 A E E + C 0 36A 81 15,-1.4 15,-2.1 40,-0.1 2,-0.3 -0.987 60.2 177.6-148.5 144.5 -13.7 -8.8 -14.7 22 23 A A E + C 0 35A 13 -2,-0.3 13,-0.2 13,-0.2 40,-0.1 -0.981 6.4 165.4-149.7 133.3 -14.5 -12.5 -14.5 23 24 A V E - C 0 34A 48 11,-2.4 11,-2.9 -2,-0.3 -2,-0.0 -0.992 41.2 -92.8-143.0 153.0 -12.2 -15.5 -14.5 24 25 A P E - C 0 33A 82 0, 0.0 9,-0.2 0, 0.0 3,-0.1 -0.285 25.4-149.0 -60.2 153.4 -12.6 -19.2 -13.6 25 26 A F > + 0 0 4 7,-2.1 3,-1.7 1,-0.1 7,-0.2 -0.630 28.1 163.6-123.4 68.0 -11.7 -20.2 -10.0 26 27 A P T 3 + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 7,-0.0 0.702 69.1 69.8 -65.3 -16.8 -10.3 -23.8 -10.6 27 28 A E T 3 S+ 0 0 121 -3,-0.1 -2,-0.0 5,-0.0 51,-0.0 0.733 81.3 96.4 -70.1 -22.7 -8.8 -23.7 -7.1 28 29 A A S < S- 0 0 29 -3,-1.7 4,-0.1 1,-0.1 50,-0.0 -0.276 82.2-124.5 -69.4 152.8 -12.2 -23.8 -5.5 29 30 A R S S+ 0 0 239 2,-0.1 -1,-0.1 -2,-0.0 3,-0.0 0.931 98.8 35.0 -61.8 -48.2 -13.8 -27.1 -4.3 30 31 A K S S- 0 0 113 1,-0.1 -2,-0.1 0, 0.0 2,-0.0 -0.717 111.3 -80.3-103.1 156.9 -16.9 -26.7 -6.4 31 32 A P + 0 0 82 0, 0.0 22,-0.4 0, 0.0 2,-0.3 -0.346 67.7 156.3 -59.4 134.9 -16.9 -25.0 -9.9 32 33 A A - 0 0 10 19,-0.2 -7,-2.1 -7,-0.2 2,-0.4 -0.951 36.9-133.0-155.7 168.4 -16.9 -21.3 -9.5 33 34 A I E -CD 24 50A 4 17,-2.3 17,-2.0 -2,-0.3 2,-0.4 -0.985 15.0-143.1-131.9 136.6 -16.0 -17.9 -11.0 34 35 A K E -CD 23 49A 55 -11,-2.9 -11,-2.4 -2,-0.4 2,-0.3 -0.844 26.5-176.3 -95.9 138.5 -14.1 -15.0 -9.5 35 36 A V E -CD 22 48A 9 13,-3.1 13,-2.4 -2,-0.4 2,-0.4 -0.917 27.3-143.7-132.9 156.8 -15.3 -11.5 -10.4 36 37 A K E -CD 21 47A 76 -15,-2.1 -16,-2.9 -2,-0.3 -15,-1.4 -0.990 25.3-161.2-112.1 133.9 -14.5 -7.8 -9.8 37 38 A I E -CD 19 46A 0 9,-2.9 9,-2.6 -2,-0.4 2,-0.9 -0.971 14.8-138.7-120.1 127.0 -17.6 -5.6 -9.5 38 39 A D E +CD 18 45A 47 -20,-3.1 -20,-2.1 -2,-0.5 7,-0.2 -0.752 20.3 179.6 -83.7 107.6 -17.6 -1.9 -10.0 39 40 A F > - 0 0 1 5,-2.3 4,-0.5 -2,-0.9 3,-0.2 0.127 53.2 -91.1 -95.1 21.9 -19.9 -0.5 -7.2 40 41 A G H > - 0 0 5 1,-0.2 4,-2.8 3,-0.2 -1,-0.3 -0.182 54.3 -56.2 94.2 174.5 -19.4 3.1 -8.3 41 42 A P H 4 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.792 129.2 47.7 -65.9 -31.4 -17.0 5.9 -7.4 42 43 A E H 4 S+ 0 0 184 -3,-0.2 -2,-0.1 1,-0.1 66,-0.1 0.957 124.5 27.6 -74.0 -51.5 -17.7 5.9 -3.6 43 44 A I H < S- 0 0 40 -4,-0.5 -3,-0.2 1,-0.2 -1,-0.1 0.870 97.7-165.0 -80.0 -40.2 -17.4 2.1 -2.9 44 45 A G < - 0 0 21 -4,-2.8 -5,-2.3 2,-0.1 2,-0.4 -0.399 38.1 -23.4 89.1-164.6 -15.1 1.3 -5.8 45 46 A I E -D 38 0A 100 -7,-0.2 2,-0.3 -6,-0.1 -7,-0.2 -0.739 64.4-171.6 -92.8 128.6 -14.2 -2.0 -7.3 46 47 A K E -D 37 0A 62 -9,-2.6 -9,-2.9 -2,-0.4 2,-0.3 -0.926 18.7-123.5-125.7 147.9 -14.7 -5.1 -5.1 47 48 A K E +D 36 0A 67 -2,-0.3 36,-2.4 -11,-0.2 37,-1.3 -0.632 36.4 154.3 -88.2 143.7 -13.8 -8.8 -5.4 48 49 A S E -D 35 0A 0 -13,-2.4 -13,-3.1 -2,-0.3 2,-0.3 -0.932 19.7-159.7-153.6 174.0 -16.4 -11.6 -5.2 49 50 A S E +D 34 0A 23 35,-0.5 37,-0.5 -2,-0.3 2,-0.3 -0.978 9.9 176.7-154.3 158.2 -16.9 -15.2 -6.3 50 51 A A E -D 33 0A 22 -17,-2.0 -17,-2.3 -2,-0.3 2,-1.8 -0.985 43.4-106.8-162.6 156.4 -19.8 -17.6 -6.8 51 52 A Q S S+ 0 0 111 -2,-0.3 45,-0.6 -19,-0.2 -19,-0.2 -0.570 71.1 129.4 -83.1 73.1 -20.8 -21.1 -7.9 52 53 A I > + 0 0 5 -2,-1.8 4,-1.3 1,-0.1 -1,-0.2 -0.048 22.3 113.2-123.6 29.1 -22.4 -19.6 -11.1 53 54 A T T 4 + 0 0 59 -22,-0.4 -1,-0.1 1,-0.2 -21,-0.1 0.630 65.9 67.4 -80.2 -14.5 -20.8 -21.8 -13.8 54 55 A V T 4 S+ 0 0 87 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.976 119.1 15.0 -71.6 -50.6 -24.0 -23.5 -14.8 55 56 A H T 4 S+ 0 0 45 41,-0.4 2,-0.3 2,-0.0 -2,-0.2 0.643 125.3 51.4 -96.8 -17.0 -25.8 -20.5 -16.3 56 57 A Y < - 0 0 8 -4,-1.3 3,-0.0 3,-0.0 41,-0.0 -0.753 56.8-159.7-126.3 163.1 -23.0 -18.0 -16.7 57 58 A T > - 0 0 59 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.943 34.8-113.7-136.0 156.1 -19.5 -17.8 -18.1 58 59 A P H > S+ 0 0 24 0, 0.0 4,-0.8 0, 0.0 -36,-0.1 0.861 118.9 52.4 -55.4 -33.9 -16.6 -15.4 -17.5 59 60 A E H 4 S+ 0 0 156 1,-0.2 3,-0.1 2,-0.2 -3,-0.0 0.860 114.0 39.5 -71.2 -38.0 -17.1 -14.1 -21.0 60 61 A S H 4 S+ 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 4,-0.0 0.683 105.3 66.6 -86.9 -19.0 -20.8 -13.3 -20.7 61 62 A L H >< S+ 0 0 1 -4,-1.8 3,-2.3 2,-0.1 -42,-0.3 0.788 72.3 100.4 -76.2 -29.9 -20.7 -11.9 -17.1 62 63 A V T 3< S+ 0 0 76 -4,-0.8 -42,-0.2 1,-0.3 3,-0.1 -0.425 90.5 21.3 -62.8 125.3 -18.6 -8.8 -17.9 63 64 A G T 3 S+ 0 0 50 -44,-3.0 2,-0.3 1,-0.4 -1,-0.3 0.245 93.1 126.1 100.6 -10.0 -21.1 -5.9 -18.1 64 65 A R < - 0 0 79 -3,-2.3 -45,-2.9 -45,-0.1 2,-0.5 -0.615 58.8-129.7 -79.9 139.6 -23.8 -7.5 -16.1 65 66 A Q E -A 18 0A 26 -2,-0.3 36,-0.3 -47,-0.2 2,-0.3 -0.801 31.8-179.6 -89.3 131.0 -25.2 -5.7 -13.0 66 67 A V E -A 17 0A 1 -49,-2.5 -49,-2.2 -2,-0.5 2,-0.4 -0.779 25.7-121.5-123.2 164.1 -25.4 -7.9 -9.9 67 68 A L E +A 16 0A 0 20,-0.4 20,-3.1 32,-0.3 2,-0.3 -0.914 35.8 174.6-108.0 136.3 -26.5 -7.2 -6.3 68 69 A G E -AE 15 86A 0 -53,-2.5 -53,-2.4 -2,-0.4 2,-0.6 -0.996 38.3-118.8-142.5 148.1 -24.0 -7.7 -3.5 69 70 A V E -AE 14 85A 0 16,-2.1 16,-1.4 -2,-0.3 3,-0.3 -0.787 32.8-179.0 -78.3 120.4 -23.7 -7.3 0.3 70 71 A V + 0 0 26 -57,-2.8 -1,-0.1 -2,-0.6 -56,-0.1 0.537 63.2 66.3-102.6 -8.4 -20.9 -4.8 0.5 71 72 A N + 0 0 9 -58,-0.5 46,-2.7 44,-0.1 -1,-0.2 0.019 69.1 108.9-113.0 30.8 -20.5 -4.4 4.3 72 73 A F S S- 0 0 32 11,-0.4 46,-0.1 -3,-0.3 3,-0.1 -0.619 77.8-101.5 -84.1 157.1 -19.3 -7.8 5.5 73 74 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 -0.477 57.6 -78.7 -67.9 155.5 -15.7 -8.2 6.7 74 75 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.213 46.6-146.7 -56.0 148.2 -13.5 -9.8 4.0 75 76 A R E -F 82 0B 157 7,-2.7 7,-2.9 -3,-0.1 2,-0.7 -0.985 4.9-140.3-125.7 123.1 -13.8 -13.6 3.7 76 77 A Q E -F 81 0B 95 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.762 19.0-176.4 -86.6 116.5 -10.9 -15.9 2.8 77 78 A I E > -F 80 0B 36 3,-3.5 3,-2.4 -2,-0.7 -2,-0.0 -0.902 64.4 -62.7-114.3 92.7 -12.2 -18.5 0.3 78 79 A G T 3 S- 0 0 59 -2,-0.7 -50,-0.1 1,-0.3 0, 0.0 -0.434 120.0 -14.6 57.7-130.0 -9.1 -20.7 -0.2 79 80 A P T 3 S+ 0 0 94 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.505 123.2 90.2 -78.1 -4.5 -6.5 -18.5 -1.8 80 81 A F E < -F 77 0B 17 -3,-2.4 -3,-3.5 -55,-0.0 2,-0.9 -0.832 64.3-151.5-105.2 126.9 -9.1 -15.8 -2.7 81 82 A R E -F 76 0B 124 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.826 21.1-158.7 -98.1 100.4 -10.0 -12.9 -0.3 82 83 A S E -F 75 0B 9 -7,-2.9 -7,-2.7 -2,-0.9 -34,-0.2 -0.552 18.4-176.1 -81.1 142.5 -13.6 -12.0 -1.2 83 84 A E + 0 0 63 -36,-2.4 -11,-0.4 -2,-0.2 2,-0.3 0.573 66.5 38.1-110.1 -15.4 -15.0 -8.6 -0.3 84 85 A V - 0 0 6 -37,-1.3 2,-0.7 -9,-0.1 -35,-0.5 -0.979 67.2-131.6-143.1 142.9 -18.6 -9.0 -1.3 85 86 A L E -E 69 0A 37 -16,-1.4 -16,-2.1 -2,-0.3 2,-0.5 -0.913 27.1-146.0 -92.7 116.8 -21.4 -11.6 -1.3 86 87 A T E -E 68 0A 14 -2,-0.7 -18,-0.2 -37,-0.5 2,-0.2 -0.767 22.7-128.9 -86.7 127.0 -22.9 -11.7 -4.8 87 88 A L + 0 0 0 -20,-3.1 12,-2.3 -2,-0.5 -20,-0.4 -0.498 41.8 132.0 -92.6 144.3 -26.6 -12.5 -4.4 88 89 A G E -G 98 0C 2 10,-0.3 135,-2.5 -2,-0.2 2,-0.3 -0.905 38.4-114.9-164.2-170.2 -28.7 -15.1 -6.1 89 90 A F E -G 97 0C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.4 -0.967 28.3-107.8-141.0 147.9 -31.3 -17.9 -5.8 90 91 A A E -G 96 0C 24 131,-0.4 6,-0.2 -2,-0.3 5,-0.1 -0.672 36.3-143.6 -74.6 130.9 -31.4 -21.6 -6.4 91 92 A D > - 0 0 16 4,-2.8 3,-2.0 -2,-0.4 125,-0.1 -0.130 42.4 -74.9 -80.7-173.8 -33.4 -22.6 -9.5 92 93 A A T 3 S+ 0 0 86 123,-0.3 124,-0.1 1,-0.3 -1,-0.1 0.741 137.5 43.2 -58.1 -24.5 -35.6 -25.7 -9.8 93 94 A N T 3 S- 0 0 135 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.369 121.8-103.9 -99.0 0.6 -32.4 -27.8 -10.1 94 95 A G S < S+ 0 0 45 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.440 76.8 137.1 90.9 -0.3 -30.5 -26.1 -7.3 95 96 A D - 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