==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 26-MAR-12 3VQK . COMPND 2 MOLECULE: SMALL HEAT SHOCK PROTEIN STHSP14.0; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR Y.HANAZONO,K.TAKEDA,K.MIKI . 642 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 27.7 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 . 38 5.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 . 2 0.3 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 . 47 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 6 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 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 . 10 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 17 A R 0 0 83 0, 0.0 61,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 9.4 -7.0 -25.8 79.7 2 18 A G > - 0 0 11 225,-0.2 3,-0.9 59,-0.1 4,-0.0 0.169 360.0 -56.9 -70.5-165.0 -5.7 -22.6 78.0 3 19 A F T 3> S+ 0 0 131 1,-0.3 4,-1.2 2,-0.1 3,-0.5 0.352 116.9 103.1 -58.4 8.7 -3.8 -22.6 74.7 4 20 A Y H 3> + 0 0 21 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.342 49.5 85.3 -73.7 -0.8 -1.7 -25.0 76.7 5 21 A E H <4 S+ 0 0 90 -3,-0.9 63,-0.3 -4,-0.2 -1,-0.2 0.135 109.4 22.8 -86.4 17.8 -3.2 -28.1 74.9 6 22 A L H 4 S+ 0 0 113 -3,-0.5 -2,-0.2 61,-0.1 -1,-0.1 0.427 112.5 65.5-145.1 -48.0 -0.5 -27.3 72.4 7 23 A V H < S+ 0 0 46 -4,-1.2 -3,-0.1 60,-0.0 -2,-0.1 0.877 86.7 100.8 -54.6 -47.4 2.3 -25.4 74.0 8 24 A Y < + 0 0 37 -4,-0.8 60,-0.2 2,-0.1 0, 0.0 -0.394 35.5 66.0 -77.8 161.0 3.5 -28.1 76.4 9 25 A P S S- 0 0 27 0, 0.0 2,-0.4 0, 0.0 17,-0.1 0.456 73.7-111.4 -87.5-172.6 5.7 -30.3 76.8 10 26 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 269,-0.1 -0.676 25.3-129.6 -87.0 133.9 9.3 -29.1 77.3 11 27 A V + 0 0 31 267,-0.4 2,-0.2 -2,-0.4 207,-0.2 -0.659 42.4 145.3 -83.9 129.5 11.9 -29.8 74.7 12 28 A D B +A 23 0A 5 11,-0.5 11,-2.9 -2,-0.4 2,-0.3 -0.788 7.5 138.4-168.6 119.0 15.2 -31.4 75.8 13 29 A M + 0 0 34 9,-0.3 262,-1.2 -2,-0.2 9,-0.2 -0.984 3.6 140.0-159.1 158.2 17.5 -34.0 74.1 14 30 A Y - 0 0 27 6,-1.2 2,-0.3 -2,-0.3 256,-0.0 -0.512 47.9 -68.5-162.7-128.2 21.2 -34.6 73.6 15 31 A E - 0 0 55 -2,-0.2 257,-1.0 3,-0.0 5,-0.3 -0.975 16.0-162.5-157.0 141.1 23.4 -37.8 73.6 16 32 A E S S- 0 0 98 3,-2.5 4,-0.1 -2,-0.3 5,-0.1 -0.501 70.5 -73.2-120.2 61.5 24.7 -40.4 76.0 17 33 A G S S- 0 0 76 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.951 124.6 -8.2 49.4 62.0 27.7 -42.1 74.3 18 34 A G S S+ 0 0 22 1,-0.0 2,-0.3 81,-0.0 -1,-0.2 0.641 122.8 95.8 93.4 18.0 25.6 -44.0 71.8 19 35 A Y - 0 0 98 1,-0.1 -3,-2.5 76,-0.1 -5,-0.1 -0.762 53.6-168.5-142.0 90.4 22.3 -43.1 73.5 20 36 A L + 0 0 5 -5,-0.3 -6,-1.2 -2,-0.3 -1,-0.1 0.863 32.5 178.2 -47.8 -44.9 20.6 -40.0 72.0 21 37 A V - 0 0 6 -8,-0.1 2,-0.3 -6,-0.1 -7,-0.2 0.135 16.7-134.4 66.2 175.3 18.3 -39.9 75.0 22 38 A V - 0 0 48 72,-0.4 72,-0.8 -9,-0.2 2,-0.3 -0.972 11.1-161.2-160.6 165.2 15.5 -37.3 75.7 23 39 A V B +A 12 0A 9 -11,-2.9 -11,-0.5 -2,-0.3 2,-0.2 -0.987 19.3 145.9-153.7 149.3 14.1 -35.2 78.5 24 40 A A - 0 0 20 -2,-0.3 68,-1.9 -13,-0.1 -13,-0.1 -0.809 45.6 -95.2 179.2 143.8 10.8 -33.4 79.2 25 41 A D + 0 0 13 -2,-0.2 66,-0.2 66,-0.2 2,-0.1 -0.343 31.9 174.8 -72.7 149.6 8.8 -32.6 82.4 26 42 A L + 0 0 17 63,-0.1 3,-0.4 279,-0.1 2,-0.3 -0.641 11.6 173.0-155.0 85.4 5.9 -34.7 83.7 27 43 A A + 0 0 0 1,-0.2 279,-0.3 -2,-0.1 278,-0.1 -0.705 62.5 14.6 -98.7 152.0 4.5 -33.5 87.0 28 44 A G S S+ 0 0 26 277,-1.1 2,-0.3 -2,-0.3 -1,-0.2 0.848 99.6 108.4 56.4 40.9 1.4 -34.9 88.8 29 45 A F - 0 0 6 -3,-0.4 -1,-0.1 276,-0.3 61,-0.1 -0.839 66.5-119.3-155.3 113.5 1.1 -38.0 86.6 30 46 A N - 0 0 69 -2,-0.3 4,-0.1 1,-0.2 -3,-0.0 0.135 21.7-120.6 -44.8 156.0 1.8 -41.6 87.4 31 47 A K S S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.1 56,-0.0 -0.184 112.0 52.0 -91.5 37.9 4.4 -43.7 85.6 32 48 A E S S+ 0 0 143 3,-0.0 -1,-0.2 -2,-0.0 -2,-0.0 0.517 96.9 55.4-134.7 -54.8 1.5 -45.9 84.6 33 49 A K S S+ 0 0 76 2,-0.1 16,-1.0 15,-0.0 2,-0.3 0.317 94.4 100.0 -69.9 8.9 -1.2 -43.8 83.0 34 50 A I E -B 48 0B 37 14,-0.2 2,-0.4 -4,-0.1 14,-0.2 -0.665 63.1-152.4 -93.6 150.7 1.7 -42.7 80.7 35 51 A K E -B 47 0B 92 12,-1.3 12,-0.8 -2,-0.3 2,-0.2 -0.982 10.8-172.1-132.2 140.8 2.1 -44.2 77.2 36 52 A A + 0 0 75 -2,-0.4 2,-0.3 10,-0.1 10,-0.1 -0.541 14.4 172.6-114.8-177.9 5.1 -44.8 75.0 37 53 A R - 0 0 105 -2,-0.2 2,-0.3 8,-0.2 8,-0.2 -0.992 29.7-114.4-178.0 173.7 5.3 -46.0 71.3 38 54 A V + 0 0 76 -2,-0.3 2,-0.2 6,-0.1 6,-0.1 -0.949 29.6 172.0-124.4 144.7 7.1 -46.8 68.1 39 55 A S - 0 0 39 -2,-0.3 3,-0.5 4,-0.2 4,-0.4 -0.769 63.8 -45.1-162.0 112.0 6.6 -45.0 64.7 40 56 A G S S- 0 0 62 1,-0.3 39,-0.0 -2,-0.2 -2,-0.0 0.460 87.2 -97.8 47.8 2.4 8.4 -45.1 61.3 41 57 A Q S S+ 0 0 70 2,-0.1 -1,-0.3 35,-0.1 36,-0.1 0.172 117.6 63.3 74.5 -16.7 11.7 -45.0 63.3 42 58 A N S S+ 0 0 44 -3,-0.5 2,-0.3 34,-0.1 -2,-0.1 -0.327 89.5 67.0-135.2 57.2 12.0 -41.2 62.7 43 59 A E S S- 0 0 106 -4,-0.4 2,-0.3 29,-0.4 -4,-0.2 -0.928 73.9-103.0-157.1 174.7 9.0 -39.5 64.5 44 60 A L - 0 0 48 -2,-0.3 2,-0.4 -6,-0.1 28,-0.1 -0.864 19.8-167.1-115.0 145.9 7.6 -38.9 68.1 45 61 A I + 0 0 28 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.941 19.2 156.6-133.8 112.2 4.7 -40.6 70.0 46 62 A I + 0 0 42 -2,-0.4 2,-0.3 -10,-0.1 -10,-0.1 -0.980 8.9 134.2-141.3 123.4 3.4 -39.1 73.2 47 63 A E E +B 35 0B 88 -12,-0.8 -12,-1.3 -2,-0.4 2,-0.2 -0.877 10.1 121.6-151.8 178.1 -0.0 -39.5 74.8 48 64 A A E -B 34 0B 13 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.622 32.3-152.6 137.0 167.2 -1.5 -40.2 78.3 49 65 A E - 0 0 79 -16,-1.0 17,-0.2 -2,-0.2 2,-0.1 -0.896 16.6-178.3-175.6 144.6 -3.9 -38.3 80.5 50 66 A R - 0 0 34 15,-1.2 2,-0.1 -2,-0.3 15,-0.1 -0.203 28.9-123.1-117.2-152.0 -5.1 -37.6 84.1 51 67 A E + 0 0 152 -2,-0.1 2,-0.5 13,-0.1 14,-0.1 -0.527 31.4 164.8-171.5 98.2 -8.0 -35.4 85.2 52 68 A I - 0 0 63 12,-0.1 -2,-0.0 -2,-0.1 -1,-0.0 -0.588 27.2-161.6-113.2 65.1 -8.0 -32.4 87.5 53 69 A T - 0 0 89 -2,-0.5 -2,-0.0 1,-0.2 12,-0.0 -0.263 39.9 -88.4 -51.7 128.0 -11.3 -30.9 86.7 54 70 A E - 0 0 53 1,-0.1 -1,-0.2 7,-0.1 176,-0.1 -0.111 51.5-165.7 -41.3 119.3 -11.4 -27.3 87.9 55 71 A P + 0 0 56 0, 0.0 177,-0.1 0, 0.0 -1,-0.1 0.892 51.4 1.6 -75.9-101.4 -12.6 -27.5 91.6 56 72 A G S S- 0 0 36 175,-0.8 176,-0.1 1,-0.1 180,-0.0 0.808 126.6 -15.0 -61.7-122.8 -13.7 -24.3 93.4 57 73 A V S S- 0 0 69 179,-0.1 173,-0.1 0, 0.0 -1,-0.1 0.763 79.3-149.9 -58.0 -29.9 -13.9 -20.8 91.8 58 74 A K + 0 0 98 2,-0.1 172,-0.2 173,-0.1 -4,-0.0 0.929 22.5 176.7 54.9 95.9 -11.7 -21.9 88.9 59 75 A Y - 0 0 65 170,-1.3 2,-0.3 1,-0.0 171,-0.1 0.815 65.4 -20.0 -92.9 -91.8 -9.8 -18.8 87.8 60 76 A L + 0 0 95 169,-0.1 2,-2.6 170,-0.0 -58,-0.1 -0.609 62.6 176.2-122.6 72.7 -7.3 -19.3 85.0 61 77 A T + 0 0 9 -2,-0.3 2,-0.9 167,-0.2 167,-0.2 -0.461 8.9 167.2 -73.3 70.9 -6.6 -23.1 84.9 62 78 A Q + 0 0 39 -2,-2.6 165,-0.5 -61,-0.3 -1,-0.2 -0.136 43.2 106.6 -80.6 39.9 -4.4 -22.8 81.8 63 79 A R - 0 0 9 -2,-0.9 -58,-0.1 163,-0.1 -1,-0.1 -0.920 58.0-155.7-126.3 105.0 -3.3 -26.3 82.6 64 80 A P - 0 0 10 0, 0.0 -12,-0.1 0, 0.0 3,-0.1 0.327 19.8-128.6 -58.6-166.0 -4.5 -29.2 80.3 65 81 A K S S+ 0 0 33 1,-0.3 -15,-1.2 -14,-0.1 2,-0.2 0.461 88.9 8.2-123.2 -20.6 -4.9 -32.9 81.2 66 82 A Y + 0 0 66 -17,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.857 64.3 176.2-169.1 129.8 -3.0 -34.2 78.1 67 83 A V - 0 0 25 -2,-0.2 2,-0.3 -3,-0.1 -61,-0.1 -0.818 8.0-159.9-131.7 170.0 -0.9 -32.8 75.2 68 84 A R + 0 0 89 -63,-0.3 2,-0.3 -2,-0.3 -21,-0.1 -0.979 12.5 174.0-158.5 140.7 1.1 -33.9 72.2 69 85 A K - 0 0 47 -2,-0.3 2,-0.1 2,-0.0 -24,-0.1 -0.869 20.9-145.9-150.8 112.0 3.9 -32.7 69.8 70 86 A V - 0 0 71 -2,-0.3 2,-0.2 -26,-0.1 -25,-0.1 -0.443 16.1-179.8 -76.0 148.6 5.6 -34.9 67.2 71 87 A I - 0 0 99 -2,-0.1 -28,-0.1 0, 0.0 -26,-0.1 -0.686 24.7-131.0-155.2 95.1 9.3 -34.4 66.3 72 88 A R - 0 0 145 -2,-0.2 -29,-0.4 -29,-0.1 -30,-0.1 0.081 32.9-104.5 -39.7 154.5 10.9 -36.6 63.6 73 89 A L - 0 0 43 1,-0.1 -1,-0.1 -29,-0.0 4,-0.1 -0.602 19.6-120.4 -89.9 149.5 14.2 -38.1 64.6 74 90 A P S S- 0 0 35 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.960 97.1 -18.9 -47.8 -78.8 17.7 -37.0 63.4 75 91 A Y S S- 0 0 35 1,-0.5 73,-0.2 72,-0.1 71,-0.1 -0.027 94.7-122.3-123.9 26.7 19.0 -40.1 61.7 76 92 A N - 0 0 15 71,-0.1 -1,-0.5 2,-0.0 -34,-0.1 -0.286 23.9-126.1 63.3-151.0 16.6 -42.6 63.3 77 93 A V - 0 0 30 21,-0.1 22,-0.3 -3,-0.1 -35,-0.0 0.101 45.1 -60.7-151.3 -88.5 18.3 -45.4 65.3 78 94 A A > - 0 0 44 20,-0.1 3,-1.0 -37,-0.1 2,-0.4 -0.149 44.9-145.0-179.5 67.0 17.7 -49.2 64.9 79 95 A K T 3 S+ 0 0 115 1,-0.2 3,-0.0 -39,-0.0 -41,-0.0 -0.219 77.1 71.9 -49.3 100.2 14.1 -50.2 65.5 80 96 A D T 3 S+ 0 0 151 -2,-0.4 -1,-0.2 0, 0.0 3,-0.1 0.135 76.2 73.5-177.2 -40.2 14.4 -53.7 67.2 81 97 A A S < S- 0 0 48 -3,-1.0 2,-0.4 1,-0.1 15,-0.0 0.423 95.4 -67.0 -67.8-147.3 15.8 -53.3 70.7 82 98 A E - 0 0 138 -3,-0.0 2,-3.6 2,-0.0 -1,-0.1 -0.952 34.7-120.1-119.8 133.1 13.7 -52.0 73.6 83 99 A I - 0 0 95 -2,-0.4 2,-0.7 1,-0.1 13,-0.1 -0.297 35.0-150.1 -65.5 65.1 12.4 -48.4 74.0 84 100 A S + 0 0 38 -2,-3.6 11,-0.5 11,-0.2 2,-0.2 -0.119 31.0 168.6 -42.7 86.9 14.3 -48.0 77.3 85 101 A G B +C 94 0C 44 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.652 9.9 165.1-107.4 163.6 12.0 -45.5 79.0 86 102 A K - 0 0 87 7,-2.0 2,-0.2 -2,-0.2 9,-0.0 -0.909 13.7-164.8-159.1-176.2 11.7 -44.2 82.6 87 103 A Y + 0 0 14 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.844 14.9 152.1 178.9 141.7 10.2 -41.5 85.0 88 104 A E S > S- 0 0 158 3,-0.3 3,-1.0 -2,-0.2 156,-0.2 -0.674 76.8 -2.1-179.9 120.8 10.6 -40.1 88.5 89 105 A N T 3 S- 0 0 46 1,-0.3 155,-1.0 -2,-0.2 156,-0.4 0.545 130.9 -54.8 70.3 7.6 9.8 -36.6 90.0 90 106 A G T 3 S+ 0 0 0 153,-0.3 2,-1.2 1,-0.2 -1,-0.3 -0.233 104.2 127.0 119.9 -43.7 8.7 -35.5 86.5 91 107 A V < - 0 0 47 -3,-1.0 2,-1.6 -66,-0.2 -3,-0.3 -0.234 36.7-174.9 -51.6 88.1 11.9 -36.4 84.6 92 108 A L + 0 0 48 -68,-1.9 -5,-0.2 -2,-1.2 -1,-0.1 -0.621 21.7 163.5 -92.8 79.1 10.3 -38.5 81.9 93 109 A T - 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