==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN FIBRIL 20-OCT-11 3UA0 . COMPND 2 MOLECULE: FIBROIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOMBYX MORI; . AUTHOR Y.-X.HE,N.-N ZHANG,B.-Y.CHEN,W.-F.LI,Y.-X.CHEN,C.-Z.ZHOU . 149 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 71.8 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 . 76 51.0 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 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 . 20 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.0 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+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 . 0 1 1 0 1 0 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 26 A F 0 0 254 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.8 -0.7 31.0 -5.6 2 27 A D - 0 0 168 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.947 360.0 -4.1 -51.2 -50.8 2.7 32.2 -4.5 3 28 A E - 0 0 125 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.998 66.0-166.3-142.3 143.2 1.8 31.0 -1.0 4 29 A D + 0 0 118 -2,-0.3 3,-0.2 -3,-0.2 4,-0.1 -0.932 21.2 159.0-134.7 117.0 -1.3 29.6 0.5 5 30 A Y + 0 0 60 -2,-0.4 -1,-0.1 1,-0.1 5,-0.0 0.005 47.6 111.5-115.7 21.6 -2.0 29.2 4.2 6 31 A F S S+ 0 0 188 1,-0.2 -1,-0.1 3,-0.0 5,-0.0 0.869 83.8 44.0 -62.1 -36.7 -5.7 28.9 3.8 7 32 A G S S+ 0 0 78 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.784 101.8 87.0 -76.2 -29.0 -5.4 25.3 4.9 8 33 A S S S- 0 0 64 2,-0.2 -3,-0.1 1,-0.1 0, 0.0 -0.144 82.4-121.4 -75.2 166.3 -3.1 26.0 7.8 9 34 A D S S+ 0 0 78 32,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.674 96.9 23.1 -76.4 -19.6 -3.9 26.9 11.4 10 35 A V S S- 0 0 19 32,-0.0 2,-0.4 -5,-0.0 -2,-0.2 -0.737 77.7-117.4-133.3-178.0 -1.8 30.1 11.0 11 36 A T E -A 40 0A 53 29,-0.7 29,-2.0 -2,-0.2 2,-0.5 -0.921 17.0-143.0-132.2 108.4 -0.5 32.5 8.3 12 37 A V E -A 39 0A 25 -2,-0.4 27,-0.3 27,-0.2 3,-0.1 -0.581 17.8-177.3 -64.5 117.3 3.2 32.9 7.7 13 38 A Q E + 0 0 108 25,-3.2 2,-0.3 -2,-0.5 26,-0.2 0.484 64.6 1.5 -95.6 -7.1 3.5 36.6 6.9 14 39 A S E -A 38 0A 63 24,-0.8 24,-1.0 2,-0.0 2,-0.3 -0.979 56.9-165.2-171.8 157.3 7.2 36.5 6.3 15 40 A S + 0 0 75 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.980 6.2 178.0-154.6 153.7 10.3 34.3 6.1 16 41 A N - 0 0 78 -2,-0.3 20,-1.2 20,-0.1 2,-0.3 -0.959 7.1-165.5-148.3 158.5 14.0 34.7 6.0 17 42 A T E +B 35 0A 76 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.880 9.8 173.6-154.6 122.3 17.0 32.4 6.0 18 43 A T E -B 34 0A 63 16,-1.2 16,-2.9 -2,-0.3 2,-0.4 -0.888 20.3-138.6-124.3 157.0 20.7 33.1 6.6 19 44 A D E -B 33 0A 72 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.963 11.5-166.2-118.9 133.1 23.7 31.0 6.9 20 45 A E E -B 32 0A 89 12,-2.3 12,-2.9 -2,-0.4 2,-0.6 -0.943 8.0-153.5-111.7 134.5 26.5 31.4 9.4 21 46 A I E -B 31 0A 102 -2,-0.5 2,-0.6 10,-0.2 10,-0.2 -0.962 10.4-166.9-109.0 124.4 29.7 29.6 9.0 22 47 A I E -B 30 0A 53 8,-3.4 8,-2.8 -2,-0.6 2,-0.5 -0.931 10.1-176.1-111.2 106.4 31.5 28.9 12.3 23 48 A R E -B 29 0A 200 -2,-0.6 6,-0.2 6,-0.3 5,-0.1 -0.870 27.2-161.1 -86.4 134.0 35.1 27.8 12.1 24 49 A D > - 0 0 64 4,-2.3 3,-2.1 -2,-0.5 -1,-0.0 -0.271 37.8 -71.0-106.2-163.6 36.0 27.2 15.8 25 50 A A T 3 S+ 0 0 110 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.789 136.1 47.8 -58.0 -29.5 39.0 26.9 18.0 26 51 A S T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.102 117.4-113.3 -96.8 18.6 39.7 23.6 16.2 27 52 A G < + 0 0 18 -3,-2.1 -2,-0.1 1,-0.2 -5,-0.0 0.423 68.8 153.3 61.5 -5.2 39.2 25.1 12.8 28 53 A A - 0 0 17 125,-0.2 -4,-2.3 -5,-0.1 2,-0.4 -0.255 40.1-131.3 -55.5 140.9 36.2 22.8 12.8 29 54 A V E -BC 23 151A 30 122,-1.0 122,-2.3 123,-0.9 2,-0.4 -0.856 23.6-173.9-113.0 132.2 33.5 24.2 10.6 30 55 A I E -BC 22 150A 30 -8,-2.8 -8,-3.4 -2,-0.4 2,-0.5 -0.980 12.7-152.0-125.9 127.1 29.8 24.6 11.4 31 56 A E E -BC 21 149A 42 118,-1.6 118,-1.7 -2,-0.4 2,-0.5 -0.849 12.5-170.3 -93.3 133.5 27.0 25.8 9.2 32 57 A E E -BC 20 148A 34 -12,-2.9 -12,-2.3 -2,-0.5 2,-0.5 -0.928 2.6-165.9-124.0 107.9 24.2 27.5 11.0 33 58 A Q E -BC 19 147A 49 114,-0.8 114,-2.2 -2,-0.5 2,-0.7 -0.836 6.1-162.5 -97.0 128.2 21.0 28.2 9.0 34 59 A I E -BC 18 146A 28 -16,-2.9 -16,-1.2 -2,-0.5 2,-0.4 -0.857 7.2-173.5-120.9 95.7 18.7 30.6 10.6 35 60 A T E -BC 17 145A 28 110,-1.4 110,-2.4 -2,-0.7 2,-0.5 -0.741 5.4-168.4 -83.9 132.6 15.1 30.7 9.4 36 61 A T E - C 0 144A 40 -20,-1.2 2,-0.3 -2,-0.4 108,-0.2 -0.919 7.9-176.6-128.5 104.7 13.0 33.6 11.0 37 62 A K E - C 0 143A 55 106,-1.2 106,-1.6 -2,-0.5 2,-0.5 -0.770 15.6-161.7-103.2 144.5 9.3 33.4 10.4 38 63 A K E +AC 14 142A 49 -24,-1.0 -25,-3.2 -2,-0.3 -24,-0.8 -0.988 21.4 171.3-121.4 119.0 6.6 35.9 11.5 39 64 A X E -AC 12 141A 29 102,-1.7 102,-1.9 -2,-0.5 2,-0.4 -0.919 16.2-158.9-127.8 149.2 3.1 34.4 11.5 40 65 A Q E +AC 11 140A 86 -29,-2.0 -29,-0.7 -2,-0.3 100,-0.2 -1.000 40.8 69.8-132.7 131.2 -0.2 35.8 12.7 41 66 A R + 0 0 122 98,-3.0 97,-0.1 -2,-0.4 -30,-0.1 -0.122 15.3 124.7 137.7 139.6 -3.4 33.9 13.7 42 67 A K 0 0 64 -32,-0.1 96,-0.1 -2,-0.1 98,-0.0 -0.024 360.0 360.0-168.8 -40.5 -5.2 31.6 16.1 43 68 A N 0 0 112 94,-0.5 95,-0.0 96,-0.1 -2,-0.0 0.137 360.0 360.0 25.9 360.0 -8.2 33.7 16.9 44 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 45 73 A I 0 0 211 0, 0.0 92,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.0 -8.9 33.2 28.2 46 74 A L + 0 0 114 1,-0.1 2,-0.0 3,-0.0 0, 0.0 -0.299 360.0 164.3 -49.9 131.6 -9.0 36.1 30.6 47 75 A G > + 0 0 15 88,-0.1 3,-1.2 2,-0.1 2,-0.8 0.324 31.9 93.1-116.9-111.3 -9.1 39.2 28.5 48 76 A K T 3 S- 0 0 149 87,-0.3 87,-0.1 1,-0.3 -2,-0.0 -0.295 113.9 -1.9 56.0 -95.4 -10.1 42.7 29.7 49 77 A N T 3 S+ 0 0 61 -2,-0.8 28,-1.4 85,-0.1 -1,-0.3 -0.055 112.3 110.0-116.1 27.9 -6.7 44.2 30.6 50 78 A E < - 0 0 11 -3,-1.2 85,-0.7 26,-0.2 2,-0.3 -0.668 39.6-176.1-117.4 159.4 -4.5 41.2 29.8 51 79 A K E -D 134 0A 87 -2,-0.2 24,-1.4 24,-0.2 2,-0.4 -0.939 17.3-141.7-153.1 128.6 -1.9 40.0 27.4 52 80 A X E +DE 133 74A 62 81,-1.5 81,-2.6 -2,-0.3 2,-0.3 -0.783 15.7 179.6 -95.9 135.4 -0.1 36.6 27.1 53 81 A I E +DE 132 73A 45 20,-0.8 20,-0.5 -2,-0.4 2,-0.4 -0.769 5.5 178.9-135.6 88.2 3.5 36.2 26.1 54 82 A K E -DE 131 72A 18 77,-1.8 77,-2.2 -2,-0.3 2,-0.4 -0.717 8.6-164.1 -83.8 137.6 4.7 32.7 26.0 55 83 A T E -DE 130 71A 43 16,-1.5 16,-1.7 -2,-0.4 2,-0.3 -0.996 4.7-166.6-122.6 129.8 8.4 32.1 25.0 56 84 A F E -DE 129 70A 10 73,-3.1 73,-1.8 -2,-0.4 14,-0.2 -0.864 13.7-177.9-118.7 153.8 9.6 28.7 24.0 57 85 A V E -D 128 0A 49 12,-1.0 2,-0.3 -2,-0.3 12,-0.3 -0.605 14.0-179.8-151.8 80.0 13.2 27.4 23.6 58 86 A I E -D 127 0A 16 69,-1.7 69,-1.1 10,-0.2 2,-0.4 -0.661 9.1-165.4 -92.3 137.1 13.3 23.9 22.4 59 87 A T E -D 126 0A 33 8,-0.4 2,-0.3 -2,-0.3 67,-0.2 -0.980 13.8-179.9-121.5 136.6 16.5 22.0 21.7 60 88 A T E -D 125 0A 30 65,-1.8 65,-1.7 -2,-0.4 2,-0.3 -0.911 14.4-159.7-136.8 156.9 16.6 18.7 19.8 61 89 A D E -D 124 0A 61 4,-1.0 3,-0.2 -2,-0.3 63,-0.1 -0.887 38.7-106.1-131.6 165.6 19.0 16.0 18.5 62 90 A S S S+ 0 0 94 61,-0.5 62,-0.1 -2,-0.3 -2,-0.0 0.498 116.0 67.7 -75.0 -1.0 18.8 13.4 15.7 63 91 A D S S- 0 0 138 2,-0.1 -1,-0.2 0, 0.0 57,-0.0 0.955 117.5-107.4 -70.3 -61.7 18.4 10.8 18.5 64 92 A G S S+ 0 0 25 1,-0.2 -2,-0.1 -3,-0.2 2,-0.1 0.210 70.5 137.2 150.9 -8.3 14.9 12.1 19.4 65 93 A N - 0 0 64 55,-0.4 -4,-1.0 1,-0.1 55,-0.2 -0.298 31.1-164.3 -72.5 146.4 15.6 13.9 22.7 66 94 A E - 0 0 42 53,-1.0 53,-0.2 -6,-0.2 -6,-0.2 -0.566 20.1-164.5-124.0-175.7 14.1 17.3 23.6 67 95 A S - 0 0 29 -8,-0.2 -8,-0.4 -2,-0.2 2,-0.4 -0.338 15.6-169.8-174.9 75.7 14.5 20.2 26.1 68 96 A I - 0 0 16 -10,-0.2 49,-3.2 -12,-0.1 2,-0.5 -0.599 5.0-170.1 -81.5 129.9 11.7 22.7 26.3 69 97 A V E - F 0 116A 56 -2,-0.4 -12,-1.0 -12,-0.3 2,-0.4 -0.983 11.9-168.1-113.9 127.1 12.0 25.9 28.2 70 98 A E E -EF 56 115A 21 45,-1.9 45,-1.6 -2,-0.5 2,-0.4 -0.937 12.0-176.8-119.1 139.3 8.7 27.9 28.7 71 99 A E E -EF 55 114A 74 -16,-1.7 -16,-1.5 -2,-0.4 2,-0.4 -0.926 5.0-170.5-135.1 114.7 8.1 31.4 29.9 72 100 A D E -EF 54 113A 17 41,-2.4 41,-0.7 -2,-0.4 2,-0.4 -0.864 1.1-173.1-103.2 134.6 4.6 32.8 30.4 73 101 A V E -EF 53 112A 11 -20,-0.5 -20,-0.8 -2,-0.4 2,-0.4 -0.905 2.8-168.3-132.2 101.8 4.1 36.5 31.1 74 102 A L E -EF 52 111A 36 37,-1.1 37,-1.8 -2,-0.4 2,-0.6 -0.779 8.2-158.2 -88.5 130.7 0.6 37.7 31.9 75 103 A X E + F 0 110A 39 -24,-1.4 2,-0.6 -2,-0.4 35,-0.2 -0.897 15.6 175.1-118.3 102.1 0.2 41.4 31.9 76 104 A K E - F 0 109A 57 33,-0.8 33,-3.5 -2,-0.6 2,-0.5 -0.935 27.9-139.1 -97.8 120.5 -2.6 43.0 33.8 77 105 A T E - F 0 108A 64 -28,-1.4 31,-0.3 -2,-0.6 3,-0.1 -0.717 16.6-170.3 -81.8 126.6 -2.3 46.7 33.6 78 106 A L E - 0 0 96 29,-2.4 2,-0.3 -2,-0.5 30,-0.2 0.844 60.9 -22.0 -92.4 -37.4 -3.0 48.3 37.0 79 107 A S E F 0 107A 81 28,-1.2 28,-1.2 1,-0.1 -1,-0.3 -0.965 360.0 360.0-160.4 177.1 -3.2 52.0 36.1 80 108 A D 0 0 184 -2,-0.3 -1,-0.1 26,-0.2 28,-0.0 0.352 360.0 360.0-142.2 360.0 -2.0 54.6 33.5 81 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 23 B I > 0 0 128 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.0 0.8 22.8 15.7 83 24 B N G > + 0 0 79 1,-0.2 3,-1.8 2,-0.1 0, 0.0 0.222 360.0 116.1 -83.7 13.2 -0.9 25.5 17.8 84 25 B D G > + 0 0 71 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.639 48.0 91.1 -55.0 -14.5 -0.5 22.9 20.5 85 26 B F G < S+ 0 0 43 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.548 70.6 70.9 -61.9 -8.4 1.8 25.6 22.0 86 27 B D G < 0 0 60 -3,-1.8 -1,-0.3 -32,-0.0 -2,-0.1 -0.179 360.0 360.0-101.7 39.5 -1.3 26.9 23.9 87 28 B E < 0 0 193 -3,-0.7 -3,-0.0 0, 0.0 0, 0.0 -0.959 360.0 360.0-120.8 360.0 -1.3 23.8 26.2 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 35 B V 0 0 117 0, 0.0 2,-0.5 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 80.8 7.0 14.6 28.7 90 36 B T - 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