==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 05-AUG-05 2BYU . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN 16.9B; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR C.K.KENNAWAY,J.L.P.BENESCH,U.GOHLKE,L.WANG,C.V.ROBINSON, . 1212 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 846 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 510 42.1 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 . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 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 . 192 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 1.5 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 . 6 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 PARALLEL BRIDGES PER LADDER . 18 6 6 0 24 18 12 6 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 12 0 12 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 43 A N 0 0 87 0, 0.0 63,-0.1 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 -6.7 -6.1 2.2 28.6 2 44 A A - 0 0 7 17,-0.1 2,-0.1 63,-0.1 17,-0.1 -0.408 360.0-172.8-148.9 68.1 -6.7 -1.2 30.2 3 45 A R - 0 0 143 15,-0.4 15,-2.2 158,-0.1 2,-0.3 -0.436 23.8-166.9 -60.3 129.2 -4.6 -4.1 28.9 4 46 A M E -A 17 0A 1 13,-0.2 157,-0.3 -2,-0.1 2,-0.3 -0.943 21.6-157.6-131.4 149.7 -6.0 -7.1 30.6 5 47 A D E -A 16 0A 8 11,-1.9 11,-2.1 -2,-0.3 2,-0.4 -0.878 6.1-159.4-117.6 150.6 -5.2 -10.8 31.2 6 48 A W E +AB 15 159A 25 153,-2.5 152,-2.5 -2,-0.3 153,-1.4 -0.954 13.6 178.3-135.4 112.6 -7.6 -13.6 32.0 7 49 A K E -AB 14 157A 26 7,-2.9 7,-3.4 -2,-0.4 2,-0.6 -0.910 17.2-153.2-115.7 142.5 -6.3 -16.7 33.6 8 50 A E E +A 13 0A 28 148,-3.3 148,-0.4 -2,-0.4 5,-0.2 -0.844 15.7 179.3-118.7 95.3 -8.3 -19.8 34.7 9 51 A T - 0 0 21 3,-1.9 3,-0.2 -2,-0.6 146,-0.1 -0.465 47.6-103.0 -82.4 164.7 -6.7 -21.7 37.5 10 52 A P S S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.857 121.7 47.9 -58.4 -31.3 -8.7 -24.7 38.7 11 53 A E S S- 0 0 137 1,-0.2 83,-2.0 82,-0.1 2,-0.3 0.786 123.4 -21.9 -80.7 -31.8 -9.9 -22.7 41.7 12 54 A A E - C 0 93A 9 81,-0.2 -3,-1.9 -3,-0.2 2,-0.5 -0.990 61.8 -91.5-168.1 173.0 -11.0 -19.4 40.0 13 55 A H E -AC 8 92A 0 79,-2.6 79,-2.9 -2,-0.3 2,-0.5 -0.874 39.5-162.5 -97.7 125.2 -10.9 -17.0 37.1 14 56 A V E -AC 7 91A 20 -7,-3.4 -7,-2.9 -2,-0.5 2,-0.4 -0.944 5.8-170.9-117.0 120.7 -8.3 -14.3 37.6 15 57 A F E -AC 6 90A 1 75,-2.6 75,-2.2 -2,-0.5 2,-0.4 -0.870 2.1-165.7-108.9 140.9 -8.3 -11.0 35.6 16 58 A K E -AC 5 89A 54 -11,-2.1 -11,-1.9 -2,-0.4 2,-0.4 -0.963 4.1-174.0-125.0 142.5 -5.5 -8.5 35.6 17 59 A A E -AC 4 88A 1 71,-2.0 71,-2.9 -2,-0.4 2,-0.9 -0.978 23.8-134.3-140.5 125.3 -5.7 -4.9 34.3 18 60 A D E + C 0 87A 17 -15,-2.2 -15,-0.4 -2,-0.4 69,-0.2 -0.691 38.7 156.7 -80.5 109.0 -2.9 -2.4 34.0 19 61 A L > - 0 0 3 67,-3.5 3,-1.6 -2,-0.9 67,-0.2 -0.507 21.5-169.9-130.2 61.3 -4.4 0.7 35.5 20 62 A P T 3 S+ 0 0 14 0, 0.0 169,-0.2 0, 0.0 3,-0.1 -0.244 70.3 6.7 -57.3 137.3 -1.3 2.7 36.5 21 63 A G T 3 S+ 0 0 26 167,-3.4 2,-0.4 1,-0.2 23,-0.2 0.646 95.9 136.8 66.3 16.6 -2.0 5.8 38.6 22 64 A V < - 0 0 10 -3,-1.6 2,-0.3 166,-0.3 -1,-0.2 -0.779 44.8-143.8 -99.3 140.1 -5.7 5.1 38.9 23 65 A K > - 0 0 117 -2,-0.4 3,-3.4 -3,-0.1 4,-0.4 -0.795 25.1-115.3-101.4 144.7 -7.6 5.4 42.2 24 66 A K G > S+ 0 0 90 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.742 114.9 64.7 -47.8 -29.7 -10.3 3.0 43.2 25 67 A E G 3 S+ 0 0 142 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.542 103.9 49.6 -72.7 -4.2 -12.9 5.9 43.0 26 68 A E G < S+ 0 0 32 -3,-3.4 16,-1.6 15,-0.0 2,-0.3 0.431 103.3 67.2-111.5 -4.8 -12.1 6.0 39.3 27 69 A V E < -F 41 0B 8 -3,-1.0 2,-0.4 -4,-0.4 14,-0.2 -0.879 60.7-162.9-118.3 152.0 -12.5 2.2 38.5 28 70 A K E -F 40 0B 113 12,-2.7 12,-2.0 -2,-0.3 2,-0.6 -0.982 8.5-171.1-142.3 127.2 -15.6 0.1 38.6 29 71 A V E +FG 39 922B 1 893,-0.5 893,-1.9 -2,-0.4 2,-0.2 -0.958 24.3 160.8-117.2 113.1 -16.0 -3.7 38.6 30 72 A E E -F 38 0B 55 8,-2.4 8,-2.5 -2,-0.6 2,-0.4 -0.743 32.6-133.8-126.2 173.2 -19.6 -4.9 38.1 31 73 A V E -F 37 0B 33 -2,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.999 22.6-168.2-131.2 128.5 -21.4 -8.1 37.1 32 74 A E E >> -F 36 0B 63 4,-2.3 4,-1.7 -2,-0.4 3,-0.5 -0.898 62.7 -3.2-121.0 150.4 -24.2 -8.0 34.6 33 75 A D T 34 S- 0 0 142 -2,-0.3 2,-1.9 1,-0.3 -1,-0.2 0.826 115.5 -75.0 40.2 45.4 -26.8 -10.6 33.5 34 76 A G T 34 S+ 0 0 30 -3,-0.2 40,-1.8 1,-0.2 -1,-0.3 -0.054 130.1 43.9 67.8 -37.8 -25.3 -13.2 35.9 35 77 A N T <4 S+ 0 0 45 -2,-1.9 35,-2.9 -3,-0.5 2,-0.5 0.082 83.3 98.3-130.4 29.9 -22.2 -14.0 33.9 36 78 A V E < -FH 32 69B 15 -4,-1.7 -4,-2.3 33,-0.2 2,-0.2 -0.887 52.4-156.1-124.9 105.4 -20.6 -10.8 32.5 37 79 A L E -FH 31 68B 0 31,-1.8 31,-2.1 -2,-0.5 2,-0.4 -0.560 15.3-163.7 -74.6 136.3 -17.7 -9.2 34.3 38 80 A V E -FH 30 67B 1 -8,-2.5 -8,-2.4 -2,-0.2 2,-0.5 -0.985 11.8-176.7-129.6 125.5 -17.5 -5.5 33.5 39 81 A V E +FH 29 66B 0 27,-2.7 27,-2.9 -2,-0.4 2,-0.3 -0.982 19.9 148.2-122.2 124.0 -14.4 -3.3 34.1 40 82 A S E +FH 28 65B 23 -12,-2.0 -12,-2.7 -2,-0.5 2,-0.3 -0.929 4.1 118.4-146.8 169.0 -14.6 0.4 33.4 41 83 A G E -FH 27 64B 15 23,-1.7 23,-1.4 -2,-0.3 -14,-0.2 -0.994 40.6-116.1 164.6-163.8 -13.2 3.8 34.6 42 84 A E - 0 0 99 -16,-1.6 21,-0.2 -2,-0.3 2,-0.1 -0.666 26.2-121.5-173.9 113.4 -11.3 6.9 33.7 43 85 A R - 0 0 36 19,-0.4 -21,-0.1 -2,-0.2 3,-0.1 -0.408 38.9-122.0 -62.1 127.6 -8.0 8.1 35.2 44 86 A T - 0 0 68 -23,-0.2 2,-0.2 -2,-0.1 17,-0.1 -0.188 31.1 -87.9 -68.5 161.7 -8.6 11.6 36.7 45 87 A K - 0 0 188 1,-0.1 2,-0.8 2,-0.0 -1,-0.1 -0.528 46.6-110.2 -70.5 134.8 -6.7 14.7 35.7 46 88 A E - 0 0 71 -2,-0.2 2,-3.3 1,-0.2 -1,-0.1 -0.577 21.6-143.0 -70.0 110.4 -3.5 15.0 37.7 47 89 A K + 0 0 204 -2,-0.8 2,-0.2 3,-0.0 -1,-0.2 -0.131 53.0 146.4 -68.6 44.9 -4.3 18.0 39.9 48 90 A E - 0 0 64 -2,-3.3 4,-0.1 1,-0.2 3,-0.1 -0.549 62.1 -46.8 -88.4 154.6 -0.7 19.0 39.4 49 91 A D > - 0 0 94 -2,-0.2 3,-1.7 1,-0.1 2,-0.4 0.265 57.2-136.2 -20.5 104.5 0.7 22.5 39.2 50 92 A K T 3 S+ 0 0 198 1,-0.2 -1,-0.1 -3,-0.2 -3,-0.0 -0.635 93.4 38.7 -71.7 125.4 -1.4 24.4 36.8 51 93 A N T 3 S+ 0 0 131 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.170 81.5 142.4 116.3 -11.2 1.1 26.3 34.6 52 94 A D < - 0 0 20 -3,-1.7 2,-0.5 -4,-0.1 -1,-0.3 -0.164 54.8-114.1 -57.6 155.0 3.7 23.5 34.3 53 95 A K E -I 111 0C 111 58,-2.4 58,-2.8 1,-0.0 2,-0.9 -0.827 21.4-147.0 -96.1 125.3 5.6 23.1 31.1 54 96 A W E +I 110 0C 171 -2,-0.5 56,-0.2 56,-0.2 3,-0.2 -0.793 24.8 168.6 -95.3 99.4 4.9 19.9 29.3 55 97 A H E S+ 0 0 63 54,-2.0 2,-0.3 -2,-0.9 55,-0.2 0.927 72.7 1.7 -72.5 -48.1 8.0 18.8 27.4 56 98 A R E -I 109 0C 121 53,-2.0 53,-3.4 0, 0.0 2,-0.4 -0.990 59.9-173.1-146.8 134.4 6.7 15.3 26.6 57 99 A V + 0 0 68 -2,-0.3 51,-0.2 51,-0.2 3,-0.0 -0.902 25.2 143.8-133.1 105.6 3.5 13.4 27.3 58 100 A E + 0 0 44 49,-0.5 2,-0.9 -2,-0.4 50,-0.1 0.771 56.5 84.8-103.8 -40.7 3.1 9.8 26.5 59 101 A R + 0 0 7 60,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.506 53.7 154.2 -66.6 103.4 0.9 8.7 29.4 60 102 A S + 0 0 90 -2,-0.9 2,-0.2 -3,-0.0 -1,-0.1 -0.704 13.2 170.7-138.8 84.7 -2.5 9.6 27.9 61 103 A S + 0 0 38 -2,-0.3 2,-0.2 -17,-0.1 -2,-0.0 -0.629 2.1 168.9 -97.4 154.5 -5.3 7.5 29.4 62 104 A G - 0 0 23 -2,-0.2 -19,-0.4 1,-0.2 -18,-0.0 -0.701 40.5 -43.0-143.4-165.3 -9.1 8.0 29.0 63 105 A K + 0 0 160 -2,-0.2 2,-0.3 -21,-0.2 -21,-0.2 -0.282 58.5 162.7 -66.5 155.2 -12.5 6.5 29.6 64 106 A F E -H 41 0B 32 -23,-1.4 -23,-1.7 -63,-0.1 2,-0.4 -0.952 24.8-158.5-171.0 152.0 -13.0 2.8 28.8 65 107 A V E -H 40 0B 79 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.3 -0.994 11.9-174.2-141.8 133.3 -15.3 -0.2 29.4 66 108 A R E -H 39 0B 66 -27,-2.9 -27,-2.7 -2,-0.4 2,-0.4 -0.967 1.9-168.5-129.9 143.8 -14.5 -3.9 29.1 67 109 A R E -H 38 0B 136 -2,-0.4 2,-0.4 -29,-0.2 -29,-0.2 -0.989 3.5-171.1-135.9 141.9 -16.7 -7.1 29.4 68 110 A F E -H 37 0B 18 -31,-2.1 -31,-1.8 -2,-0.4 2,-0.9 -0.985 23.9-129.1-129.9 140.2 -16.0 -10.8 29.6 69 111 A R E -H 36 0B 182 -2,-0.4 -33,-0.2 -33,-0.2 -2,-0.0 -0.792 26.5-143.6 -93.3 108.6 -18.4 -13.7 29.4 70 112 A L - 0 0 7 -35,-2.9 3,-0.1 -2,-0.9 -35,-0.0 -0.306 13.2-129.0 -65.3 151.3 -17.8 -16.0 32.4 71 113 A L S S+ 0 0 105 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.749 93.0 23.0 -74.4 -23.6 -18.2 -19.7 31.8 72 114 A E S S- 0 0 69 -38,-0.1 -1,-0.2 -37,-0.1 -2,-0.0 -0.994 98.0 -88.9-143.2 147.2 -20.6 -19.9 34.8 73 115 A D - 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