==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 13-SEP-01 1GME . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN 16.9B; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR R.L.M.VAN MONTFORT,E.BASHA,K.L.FRIEDRICH,C.SLINGSBY, . 519 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 31.6 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 . 81 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 4.8 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 2 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 RESIDUES PER ALPHA HELIX . 1 1 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 1 1 3 7 6 4 2 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 2 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 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 0 154 0, 0.0 2,-0.5 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 -9.2 -7.5 22.1 51.0 2 3 A I - 0 0 151 1,-0.1 2,-0.5 31,-0.1 0, 0.0 -0.528 360.0-137.3 -70.5 116.7 -7.8 25.8 50.4 3 4 A V + 0 0 132 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.634 36.3 160.2 -73.7 122.2 -6.0 27.8 53.1 4 5 A R + 0 0 230 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.658 59.0 7.5-116.3 -26.5 -8.4 30.8 53.8 5 6 A R S S- 0 0 124 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.920 87.3 -74.4-148.0 172.8 -7.3 32.0 57.2 6 7 A S - 0 0 38 -2,-0.3 2,-0.7 1,-0.1 -2,-0.0 -0.385 53.4 -98.6 -73.9 150.3 -4.6 31.5 59.9 7 8 A N - 0 0 93 -2,-0.1 2,-0.6 1,-0.0 101,-0.5 -0.566 45.8-180.0 -70.5 109.8 -4.5 28.4 62.1 8 9 A V - 0 0 17 -2,-0.7 2,-0.4 99,-0.1 101,-0.2 -0.935 24.9-133.2-118.5 110.5 -6.1 29.4 65.4 9 10 A F B +a 109 0A 23 99,-2.7 101,-2.8 -2,-0.6 -2,-0.0 -0.450 28.3 178.8 -65.3 119.7 -6.4 26.8 68.1 10 11 A D > - 0 0 36 -2,-0.4 3,-1.6 99,-0.2 101,-0.1 -0.978 23.3-156.5-126.5 116.4 -9.9 26.8 69.5 11 12 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.597 96.5 50.8 -66.0 -11.6 -10.7 24.2 72.3 12 13 A F T 3 S+ 0 0 117 3,-0.0 5,-0.1 -3,-0.0 -3,-0.0 0.244 78.5 135.0-110.7 11.4 -14.4 24.5 71.4 13 14 A A X - 0 0 27 -3,-1.6 3,-1.0 1,-0.1 4,-0.2 -0.167 64.5-120.7 -56.9 156.3 -14.1 24.0 67.6 14 15 A D G > S+ 0 0 147 1,-0.2 3,-1.5 2,-0.2 4,-0.5 0.649 103.1 79.4 -76.4 -15.2 -16.6 21.6 66.1 15 16 A L G 3 S+ 0 0 91 1,-0.3 3,-0.3 2,-0.2 7,-0.2 0.718 91.1 55.9 -64.9 -18.6 -14.0 19.2 64.8 16 17 A W G < S+ 0 0 120 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.577 87.0 77.7 -89.0 -11.8 -13.8 17.9 68.4 17 18 A A S < S+ 0 0 88 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 110.6 21.9 -68.6 -28.2 -17.5 17.0 68.6 18 19 A D S > S+ 0 0 87 -4,-0.5 4,-2.5 -3,-0.3 -1,-0.3 -0.668 71.1 177.5-141.0 80.2 -17.0 13.9 66.5 19 20 A P H > S+ 0 0 86 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.888 81.5 47.9 -50.1 -49.5 -13.3 12.8 66.7 20 21 A F H > S+ 0 0 127 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.898 110.6 50.3 -65.7 -39.7 -13.7 9.7 64.6 21 22 A D H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.949 115.4 44.5 -61.4 -46.6 -15.7 11.4 61.8 22 23 A T H X S+ 0 0 40 -4,-2.5 4,-1.8 -7,-0.2 5,-0.2 0.932 116.6 46.5 -59.4 -49.2 -12.9 14.1 61.7 23 24 A F H >X S+ 0 0 113 -4,-3.3 4,-2.2 1,-0.2 3,-0.7 0.977 111.5 50.7 -55.4 -59.5 -10.2 11.4 61.9 24 25 A R H 3< S+ 0 0 163 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.790 112.3 49.7 -49.6 -34.2 -11.9 9.3 59.2 25 26 A S H 3< S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.800 114.5 38.1 -81.3 -31.9 -12.2 12.4 57.0 26 27 A I H XX S+ 0 0 85 -4,-1.8 3,-2.1 -3,-0.7 4,-0.6 0.752 94.3 77.9 -93.2 -25.6 -8.6 13.7 57.1 27 28 A V G >< S+ 0 0 66 -4,-2.2 3,-1.1 1,-0.3 4,-0.3 0.902 98.9 48.6 -48.9 -42.9 -6.6 10.4 57.1 28 29 A P G 34 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.643 112.7 49.6 -71.8 -14.0 -7.2 10.3 53.3 29 30 A A G X4 S+ 0 0 60 -3,-2.1 3,-0.7 1,-0.1 -2,-0.2 0.294 78.5 98.1-107.8 8.0 -6.2 13.9 53.0 30 31 A I T << S+ 0 0 126 -3,-1.1 2,-1.6 -4,-0.6 -1,-0.1 0.907 74.9 64.4 -61.7 -42.4 -2.8 13.7 54.8 31 32 A S T 3 S+ 0 0 124 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 -0.093 100.8 71.4 -74.5 40.8 -0.9 13.4 51.6 32 33 A G S < S+ 0 0 45 -2,-1.6 -3,-0.1 -3,-0.7 0, 0.0 -0.925 81.9 7.8-149.5 174.1 -2.0 16.9 50.6 33 34 A G S S- 0 0 77 -2,-0.3 2,-0.3 2,-0.0 -31,-0.1 -0.159 87.6 -77.7 52.3-143.4 -1.7 20.6 51.2 34 35 A G - 0 0 76 -33,-0.2 2,-0.3 -3,-0.0 -2,-0.1 -0.806 37.2-136.1-141.1-177.8 1.0 21.6 53.6 35 36 A S - 0 0 85 -2,-0.3 4,-0.2 1,-0.1 3,-0.2 -1.000 17.5-157.8-151.1 148.6 1.6 21.7 57.3 36 37 A E S > S+ 0 0 78 -2,-0.3 4,-3.4 1,-0.1 5,-0.2 0.368 71.0 103.7-100.8 1.5 3.0 23.9 60.0 37 38 A T H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.888 78.8 53.5 -53.1 -41.4 3.6 21.0 62.4 38 39 A A H >4 S+ 0 0 78 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.968 114.0 41.5 -56.5 -53.1 7.3 21.1 61.6 39 40 A A H >4 S+ 0 0 31 1,-0.2 3,-1.9 -4,-0.2 -2,-0.2 0.886 109.3 60.0 -60.5 -40.5 7.4 24.8 62.5 40 41 A F H >< S+ 0 0 32 -4,-3.4 3,-2.5 1,-0.3 -1,-0.2 0.826 89.9 71.7 -57.3 -32.9 5.2 24.1 65.5 41 42 A A G X< S+ 0 0 39 -4,-1.8 3,-0.5 -3,-0.6 -1,-0.3 0.720 85.8 66.3 -57.8 -21.9 7.8 21.8 66.9 42 43 A N G < S+ 0 0 25 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.548 111.1 34.6 -77.1 -6.7 10.0 24.8 67.7 43 44 A A G < S- 0 0 0 -3,-2.5 -1,-0.3 -4,-0.2 2,-0.1 -0.408 71.1-172.8-148.9 68.0 7.4 25.9 70.2 44 45 A R < - 0 0 111 -3,-0.5 15,-2.2 15,-0.4 2,-0.3 -0.436 23.9-166.9 -60.3 129.3 5.6 23.1 72.1 45 46 A M E -D 58 0B 2 13,-0.2 164,-0.3 -2,-0.1 2,-0.3 -0.944 21.6-157.6-131.4 149.7 2.9 24.8 74.1 46 47 A D E -D 57 0B 7 11,-1.9 11,-2.1 -2,-0.3 2,-0.4 -0.877 6.1-159.4-117.6 150.6 0.5 24.1 77.0 47 48 A W E +DE 56 207B 0 160,-2.5 159,-2.5 -2,-0.3 160,-1.4 -0.954 13.6 178.3-135.4 112.6 -2.7 26.0 77.7 48 49 A K E -DE 55 205B 25 7,-2.9 7,-3.4 -2,-0.4 2,-0.6 -0.910 17.2-153.2-115.7 142.5 -4.2 25.7 81.2 49 50 A E E +D 54 0B 28 155,-3.3 155,-0.4 -2,-0.4 5,-0.2 -0.844 15.7 179.3-118.7 95.4 -7.3 27.5 82.5 50 51 A T - 0 0 20 3,-1.9 3,-0.2 -2,-0.6 153,-0.1 -0.466 47.6-103.0 -82.5 164.7 -7.2 28.1 86.2 51 52 A P S S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.856 121.7 47.9 -58.4 -31.3 -10.3 29.8 87.6 52 53 A E S S- 0 0 136 1,-0.2 83,-2.0 82,-0.1 2,-0.3 0.786 123.4 -21.8 -80.7 -31.8 -8.3 33.1 87.8 53 54 A A E - F 0 134B 8 81,-0.2 -3,-1.9 -3,-0.2 2,-0.5 -0.990 61.8 -91.6-168.1 173.0 -6.7 33.1 84.3 54 55 A H E -DF 49 133B 1 79,-2.6 79,-2.9 -2,-0.3 2,-0.5 -0.874 39.5-162.5 -97.6 125.2 -5.5 31.4 81.1 55 56 A V E -DF 48 132B 20 -7,-3.4 -7,-2.9 -2,-0.5 2,-0.4 -0.944 5.8-170.8-117.0 120.8 -1.9 30.3 81.4 56 57 A F E -DF 47 131B 1 75,-2.6 75,-2.2 -2,-0.5 2,-0.4 -0.869 2.1-165.7-108.8 140.8 0.2 29.4 78.3 57 58 A K E -DF 46 130B 56 -11,-2.1 -11,-1.9 -2,-0.4 2,-0.4 -0.963 4.1-174.1-125.0 142.5 3.6 27.8 78.4 58 59 A A E -DF 45 129B 0 71,-2.0 71,-2.9 -2,-0.4 2,-0.9 -0.978 23.8-134.4-140.5 125.2 6.0 27.6 75.5 59 60 A D E + F 0 128B 17 -15,-2.2 -15,-0.4 -2,-0.4 69,-0.2 -0.691 38.7 156.7 -80.5 108.9 9.3 25.8 75.4 60 61 A L > - 0 0 4 67,-3.5 3,-1.6 -2,-0.9 67,-0.2 -0.506 21.5-169.9-130.2 61.4 11.7 28.3 73.8 61 62 A P T 3 S+ 0 0 14 0, 0.0 176,-0.2 0, 0.0 3,-0.1 -0.244 70.4 6.7 -57.3 137.3 15.1 27.1 75.0 62 63 A G T 3 S+ 0 0 24 174,-3.4 2,-0.4 1,-0.2 23,-0.2 0.645 95.9 136.8 66.2 16.7 18.0 29.5 74.3 63 64 A V < - 0 0 9 -3,-1.6 2,-0.3 173,-0.3 -1,-0.2 -0.779 44.8-143.8 -99.4 140.1 15.7 32.2 73.0 64 65 A K > - 0 0 116 -2,-0.4 3,-3.4 -3,-0.1 4,-0.4 -0.794 25.2-115.3-101.6 144.7 16.1 35.9 73.9 65 66 A K G > S+ 0 0 143 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.742 114.9 64.7 -47.6 -29.7 13.1 38.2 74.4 66 67 A E G 3 S+ 0 0 141 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.542 103.9 49.6 -72.8 -4.3 14.2 40.2 71.4 67 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 -4.7 13.5 37.1 69.3 68 69 A V E < -B 82 0A 21 -3,-1.0 2,-0.4 -4,-0.4 14,-0.2 -0.879 60.7-162.9-118.4 152.0 10.0 36.3 70.7 69 70 A K E -B 81 0A 120 12,-2.7 12,-2.0 -2,-0.3 2,-0.6 -0.982 8.5-171.1-142.2 127.2 6.7 38.1 70.2 70 71 A V E +B 80 0A 48 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.958 24.3 160.9-117.3 113.1 3.4 38.0 72.1 71 72 A E E -B 79 0A 84 8,-2.4 8,-2.5 -2,-0.6 2,-0.4 -0.743 32.6-133.8-126.1 173.1 0.6 39.9 70.6 72 73 A V E -B 78 0A 41 -2,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.999 22.6-168.2-131.1 128.6 -3.2 40.0 70.7 73 74 A E E >> -B 77 0A 60 4,-2.3 4,-1.7 -2,-0.4 3,-0.5 -0.898 62.7 -3.1-121.1 150.4 -5.3 40.2 67.5 74 75 A D T 34 S- 0 0 136 -2,-0.3 2,-1.9 1,-0.3 -1,-0.2 0.825 115.5 -75.0 40.3 45.5 -9.0 40.9 66.9 75 76 A G T 34 S+ 0 0 27 -3,-0.2 40,-1.8 1,-0.2 -1,-0.3 -0.055 130.1 43.8 67.7 -37.9 -9.6 41.1 70.6 76 77 A N T <4 S+ 0 0 43 -2,-1.9 35,-2.9 -3,-0.5 2,-0.5 0.084 83.3 98.3-130.5 30.0 -9.5 37.4 71.4 77 78 A V E < -BC 73 110A 5 -4,-1.7 -4,-2.3 33,-0.2 2,-0.2 -0.886 52.4-156.1-125.0 105.4 -6.5 35.9 69.6 78 79 A L E -BC 72 109A 1 31,-1.8 31,-2.1 -2,-0.5 2,-0.4 -0.559 15.3-163.7 -74.6 136.4 -3.3 35.3 71.5 79 80 A V E -BC 71 108A 0 -8,-2.5 -8,-2.4 -2,-0.2 2,-0.5 -0.985 11.8-176.7-129.6 125.6 -0.3 35.1 69.1 80 81 A V E +BC 70 107A 0 27,-2.7 27,-2.9 -2,-0.4 2,-0.3 -0.981 19.9 148.2-122.3 124.1 3.1 33.8 69.8 81 82 A S E +BC 69 106A 23 -12,-2.0 -12,-2.7 -2,-0.5 2,-0.3 -0.929 4.1 118.4-146.9 169.0 5.9 33.9 67.2 82 83 A G E -BC 68 105A 15 23,-1.7 23,-1.4 -2,-0.3 -14,-0.2 -0.994 40.6-116.1 164.5-163.7 9.6 34.3 66.9 83 84 A E - 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