==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 10-APR-12 4ELD . COMPND 2 MOLECULE: SMALL HEAT SHOCK PROTEIN HSP16.5; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR B.W.SPILLER,H.S.MCHAOURAB,Y.-L.LIN . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 64.9 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 . 98 42.4 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 . 6 2.6 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 . 32 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 0 0 2 6 2 4 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 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 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 45 A V 0 0 113 0, 0.0 2,-0.5 0, 0.0 179,-0.1 0.000 360.0 360.0 360.0 45.3 -28.5 0.8 54.8 2 46 A A + 0 0 93 177,-0.1 179,-0.1 1,-0.1 178,-0.1 -0.263 360.0 179.9 -60.0 102.8 -30.4 2.5 51.9 3 47 A A - 0 0 42 -2,-0.5 2,-1.2 1,-0.1 -1,-0.1 -0.032 42.9 -63.3 -89.9-166.3 -34.1 1.8 52.2 4 48 A G + 0 0 58 78,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.671 70.0 153.4 -92.2 92.9 -37.1 2.9 50.0 5 49 A I - 0 0 45 -2,-1.2 2,-0.3 77,-0.1 76,-0.2 -0.761 25.4-164.6-122.4 163.0 -37.3 6.7 50.2 6 50 A Q E -A 80 0A 132 74,-1.1 74,-3.1 -2,-0.3 2,-0.4 -0.994 4.7-161.9-152.1 134.8 -38.7 9.4 48.0 7 51 A I E +A 79 0A 55 -2,-0.3 2,-0.3 72,-0.2 72,-0.2 -0.978 13.8 163.8-132.3 129.9 -38.1 13.2 48.1 8 52 A S E +A 78 0A 69 70,-2.4 70,-4.0 -2,-0.4 2,-0.3 -0.985 23.6 89.2-139.2 148.1 -40.1 16.1 46.5 9 53 A G E -A 77 0A 45 -2,-0.3 2,-0.4 68,-0.3 68,-0.2 -0.950 57.2 -73.4 156.9-172.7 -40.1 19.8 47.1 10 54 A K E S-A 76 0A 88 66,-1.1 66,-2.3 -2,-0.3 -2,-0.0 -0.946 72.6 -0.0-122.4 135.5 -38.9 23.4 46.5 11 55 A G S S- 0 0 29 -2,-0.4 2,-0.6 64,-0.2 64,-0.1 -0.038 93.5 -31.9 89.7 175.2 -35.7 25.2 47.4 12 56 A F + 0 0 58 60,-0.1 -2,-0.1 1,-0.1 63,-0.0 -0.599 67.2 136.1 -78.7 113.4 -32.5 24.6 49.3 13 57 A M - 0 0 0 -2,-0.6 17,-0.1 17,-0.1 -1,-0.1 -0.491 35.5-156.3-159.4 80.8 -32.9 22.1 52.2 14 58 A P - 0 0 9 0, 0.0 15,-2.3 0, 0.0 2,-0.3 -0.281 21.6-165.3 -56.5 144.1 -30.3 19.4 52.7 15 59 A I E -D 28 0B 0 13,-0.2 168,-3.1 2,-0.0 169,-0.4 -0.973 20.7-163.3-142.5 142.0 -31.6 16.4 54.6 16 60 A S E -DE 27 182B 0 11,-2.4 11,-2.8 -2,-0.3 2,-0.5 -0.986 9.8-156.7-123.1 143.7 -30.4 13.3 56.5 17 61 A I E -DE 26 181B 0 164,-3.3 163,-2.1 -2,-0.4 164,-1.5 -0.980 8.8-170.0-121.1 126.3 -32.6 10.3 57.3 18 62 A I E -DE 25 179B 4 7,-3.1 7,-3.2 -2,-0.5 2,-0.5 -0.956 6.2-155.6-120.5 125.5 -31.6 8.1 60.2 19 63 A E E +DE 24 178B 26 159,-3.3 159,-2.5 -2,-0.5 2,-0.2 -0.866 15.5 171.1-106.3 131.7 -33.3 4.8 60.9 20 64 A G - 0 0 0 3,-2.6 157,-0.1 -2,-0.5 156,-0.0 -0.618 48.5 -96.0-117.2-175.4 -33.4 3.0 64.3 21 65 A D S S+ 0 0 80 -2,-0.2 90,-0.4 1,-0.2 3,-0.1 0.878 120.0 17.8 -70.9 -36.2 -35.4 -0.0 65.5 22 66 A Q S S+ 0 0 124 88,-0.1 83,-2.7 1,-0.1 2,-0.3 0.345 127.1 29.6-120.5 5.7 -38.2 1.9 67.0 23 67 A H E - F 0 104B 41 81,-0.3 -3,-2.6 62,-0.1 2,-0.4 -0.981 58.4-134.8-156.8 163.1 -37.9 5.4 65.4 24 68 A I E -DF 19 103B 0 79,-2.7 79,-3.5 -2,-0.3 2,-0.5 -0.994 18.3-155.3-123.7 137.3 -36.9 7.5 62.4 25 69 A K E -DF 18 102B 43 -7,-3.2 -7,-3.1 -2,-0.4 2,-0.5 -0.949 4.4-163.6-111.4 128.3 -34.9 10.7 62.8 26 70 A V E -DF 17 101B 0 75,-2.7 75,-3.3 -2,-0.5 2,-0.5 -0.951 2.2-164.5-111.0 129.3 -35.0 13.4 60.1 27 71 A I E -DF 16 100B 10 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.4 -0.953 10.3-178.2-110.4 125.7 -32.3 16.1 60.1 28 72 A A E -DF 15 99B 0 71,-2.6 71,-2.9 -2,-0.5 2,-0.6 -0.984 23.8-134.9-128.5 134.5 -32.9 19.3 58.0 29 73 A W E + F 0 98B 6 -15,-2.3 69,-0.2 -2,-0.4 68,-0.1 -0.766 32.2 161.1 -85.0 119.2 -30.8 22.3 57.4 30 74 A L > + 0 0 0 67,-3.5 3,-1.6 -2,-0.6 68,-0.1 -0.350 11.4 175.9-131.5 53.5 -32.8 25.5 57.7 31 75 A P T 3 S+ 0 0 0 0, 0.0 181,-0.2 0, 0.0 180,-0.1 -0.323 70.7 21.4 -60.5 144.1 -30.3 28.3 58.2 32 76 A G T 3 S+ 0 0 21 179,-1.9 22,-0.5 178,-0.3 2,-0.5 0.527 96.1 122.8 79.3 6.0 -31.8 31.8 58.4 33 77 A V < - 0 0 0 -3,-1.6 -1,-0.3 178,-0.4 2,-0.2 -0.870 59.1-132.7-103.0 131.8 -35.2 30.4 59.3 34 78 A N > - 0 0 67 -2,-0.5 3,-1.6 18,-0.5 18,-0.2 -0.586 20.8-122.9 -76.0 146.0 -37.1 31.5 62.4 35 79 A K G > S+ 0 0 140 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.842 110.6 54.9 -57.2 -40.0 -38.6 28.6 64.5 36 80 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.580 100.1 62.6 -75.6 -6.9 -42.1 30.0 64.3 37 81 A D G < S+ 0 0 51 -3,-1.6 15,-1.1 15,-0.1 2,-0.5 0.207 83.7 98.4 -99.8 13.6 -41.9 30.0 60.5 38 82 A I E < -B 51 0A 28 -3,-1.4 2,-0.5 13,-0.2 13,-0.2 -0.898 56.1-163.5-102.6 127.9 -41.4 26.3 60.3 39 83 A I E -B 50 0A 72 11,-4.4 11,-3.4 -2,-0.5 2,-0.5 -0.945 11.1-175.5-107.7 130.8 -44.4 24.1 59.6 40 84 A L E +B 49 0A 61 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.949 10.6 157.8-137.1 113.3 -43.9 20.5 60.5 41 85 A N E +B 48 0A 76 7,-2.1 7,-3.7 -2,-0.5 2,-0.3 -0.956 10.5 178.6-136.6 156.6 -46.5 17.7 59.7 42 86 A A E +B 47 0A 28 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.998 8.2 167.0-156.6 150.7 -46.6 14.0 59.3 43 87 A V E > -B 46 0A 94 3,-2.1 3,-2.2 -2,-0.3 2,-0.3 -0.918 64.9 -21.3-162.2 146.3 -49.0 11.0 58.6 44 88 A G T 3 S- 0 0 28 41,-0.3 41,-3.4 -2,-0.3 62,-0.1 -0.379 128.2 -23.7 55.9-113.3 -48.4 7.4 57.6 45 89 A D T 3 S+ 0 0 49 -2,-0.3 36,-4.6 39,-0.3 2,-0.4 0.095 118.9 96.0-114.3 19.8 -44.9 7.2 56.1 46 90 A T E < -BC 43 80A 46 -3,-2.2 -3,-2.1 34,-0.2 2,-0.4 -0.926 48.0-171.3-125.7 133.0 -44.8 10.8 55.0 47 91 A L E -BC 42 79A 2 32,-2.1 32,-2.8 -2,-0.4 2,-0.5 -0.983 7.9-158.7-122.1 136.0 -43.2 13.9 56.6 48 92 A E E -BC 41 78A 62 -7,-3.7 -7,-2.1 -2,-0.4 2,-0.5 -0.948 4.6-170.3-115.7 128.9 -43.7 17.5 55.4 49 93 A I E +BC 40 77A 0 28,-2.6 28,-1.6 -2,-0.5 2,-0.5 -0.954 9.7 179.6-117.1 113.4 -41.3 20.3 56.3 50 94 A R E +BC 39 76A 105 -11,-3.4 -11,-4.4 -2,-0.5 2,-0.3 -0.951 8.7 161.4-115.0 130.0 -42.5 23.8 55.3 51 95 A A E -BC 38 75A 1 24,-2.9 24,-3.1 -2,-0.5 2,-0.4 -0.991 27.7-150.2-142.5 151.0 -40.5 26.9 56.0 52 96 A K E - C 0 74A 94 -15,-1.1 2,-0.6 -2,-0.3 -18,-0.5 -0.989 13.7-155.2-118.7 134.4 -40.2 30.6 54.9 53 97 A R - 0 0 11 20,-2.9 -20,-0.2 -2,-0.4 -21,-0.1 -0.929 15.9-133.0-109.8 116.7 -36.8 32.3 55.0 54 98 A S - 0 0 73 -2,-0.6 3,-0.1 -22,-0.5 18,-0.0 -0.465 30.7-114.8 -66.9 137.8 -36.8 36.2 55.3 55 99 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.209 43.8 -72.9 -70.2 163.9 -34.5 37.8 52.8 56 100 A L - 0 0 58 1,-0.1 2,-0.8 86,-0.0 86,-0.0 -0.328 50.4-136.2 -55.6 132.0 -31.4 39.8 53.8 57 101 A M + 0 0 165 -3,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.847 28.9 178.4-103.4 105.6 -32.5 43.1 55.3 58 102 A I - 0 0 72 -2,-0.8 2,-0.0 1,-0.1 6,-0.0 -0.727 23.2-128.4-103.9 153.5 -30.5 46.0 54.0 59 103 A T - 0 0 69 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.176 35.8-100.7 -80.8-175.3 -30.8 49.8 54.7 60 104 A E S S+ 0 0 191 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.849 125.7 48.6 -76.8 -33.7 -30.9 52.4 51.9 61 105 A S S S+ 0 0 61 2,-0.0 -1,-0.2 74,-0.0 2,-0.1 0.853 101.5 79.6 -70.2 -39.2 -27.2 53.2 52.4 62 106 A E - 0 0 16 73,-0.1 2,-0.3 71,-0.0 73,-0.2 -0.382 59.7-174.9 -68.2 146.4 -26.3 49.5 52.4 63 107 A R E -H 134 0C 104 71,-2.2 71,-2.7 -2,-0.1 2,-0.7 -0.995 28.3-118.0-139.3 146.3 -25.9 47.6 49.1 64 108 A I E +H 133 0C 75 -2,-0.3 69,-0.2 69,-0.2 3,-0.1 -0.746 32.9 169.9 -84.4 116.2 -25.2 43.9 48.4 65 109 A I E + 0 0 63 67,-2.1 2,-0.3 -2,-0.7 68,-0.2 0.593 69.1 14.5-101.5 -13.2 -22.0 43.6 46.5 66 110 A Y E +H 132 0C 82 66,-1.5 66,-3.0 0, 0.0 -1,-0.3 -0.942 62.0 170.9-160.8 138.3 -21.7 39.8 46.8 67 111 A S E +H 131 0C 44 -2,-0.3 64,-0.3 64,-0.3 -3,-0.0 -0.855 22.4 168.2-157.4 117.4 -24.0 36.9 47.7 68 112 A E + 0 0 68 62,-3.0 63,-0.2 -2,-0.3 -1,-0.1 0.406 60.5 109.8 -94.0 -3.8 -23.8 33.1 47.5 69 113 A I S S- 0 0 12 61,-0.4 74,-0.0 1,-0.1 73,-0.0 -0.654 74.8-117.7 -88.6 121.4 -26.9 33.0 49.7 70 114 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.136 15.1-157.2 -52.5 141.0 -30.2 31.8 48.0 71 115 A E + 0 0 159 -16,-0.1 -18,-0.1 -15,-0.0 -2,-0.0 0.527 47.3 129.6-102.2 -6.6 -33.0 34.3 47.9 72 116 A E - 0 0 63 1,-0.2 -19,-0.2 -18,-0.0 -60,-0.1 -0.283 41.8-163.4 -50.5 118.0 -35.9 31.8 47.6 73 117 A E + 0 0 101 1,-0.1 -20,-2.9 -21,-0.1 2,-0.5 0.836 68.8 48.3 -77.7 -36.5 -38.4 33.0 50.3 74 118 A E E + C 0 52A 86 -22,-0.2 2,-0.3 2,-0.0 -22,-0.2 -0.929 66.6 171.8-116.8 128.2 -40.5 29.8 50.5 75 119 A I E + C 0 51A 1 -24,-3.1 -24,-2.9 -2,-0.5 2,-0.3 -0.963 2.1 165.0-135.2 150.5 -39.2 26.3 50.8 76 120 A Y E -AC 10 50A 101 -66,-2.3 -66,-1.1 -2,-0.3 2,-0.3 -0.994 17.4-160.2-158.7 158.7 -40.5 22.8 51.4 77 121 A R E -AC 9 49A 31 -28,-1.6 -28,-2.6 -2,-0.3 2,-0.5 -0.989 7.0-158.4-138.9 134.7 -39.8 19.0 51.3 78 122 A T E -AC 8 48A 46 -70,-4.0 -70,-2.4 -2,-0.3 2,-0.5 -0.980 21.9-164.1-108.0 128.4 -42.2 16.2 51.2 79 123 A I E -AC 7 47A 0 -32,-2.8 -32,-2.1 -2,-0.5 2,-0.5 -0.946 15.0-150.2-124.3 114.3 -40.4 13.0 52.4 80 124 A K E -AC 6 46A 89 -74,-3.1 -74,-1.1 -2,-0.5 -34,-0.2 -0.711 23.8-151.8 -79.0 125.3 -41.5 9.4 52.0 81 125 A L - 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