==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 29-DEC-09 2KS4 . COMPND 2 MOLECULE: STICHOLYSIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: STICHODACTYLA HELIANTHUS; . AUTHOR I.CASTRILLO,J.SANTORO,M.BRUIX . 176 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 26.1 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 . 2 1.1 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-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 . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 1 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 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 PARALLEL BRIDGES PER LADDER . 1 2 0 1 1 1 0 1 1 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 . 1 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 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 1 A S 0 0 120 0, 0.0 2,-0.2 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 79.3 -5.5 13.2 13.2 2 2 A E - 0 0 86 2,-0.2 2,-2.3 1,-0.1 24,-0.1 -0.597 360.0-101.0 -84.2 156.6 -3.7 10.3 11.4 3 3 A L S S+ 0 0 0 -2,-0.2 2,-0.5 29,-0.1 31,-0.2 -0.145 88.6 112.7 -74.6 43.7 -4.5 9.6 7.6 4 4 A A + 0 0 44 -2,-2.3 -2,-0.2 1,-0.2 3,-0.1 -0.905 37.0 169.6-121.0 94.0 -6.8 6.6 8.6 5 5 A G - 0 0 36 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.989 55.8 -36.6 -69.7 -84.1 -10.4 7.5 7.6 6 6 A T - 0 0 69 2,-0.1 -1,-0.3 64,-0.0 11,-0.0 -0.906 33.4-148.3-140.2 167.3 -12.6 4.4 8.0 7 7 A I + 0 0 84 -2,-0.3 62,-0.5 63,-0.1 3,-0.1 0.050 51.4 137.5-125.4 14.4 -12.2 0.5 7.3 8 8 A I - 0 0 84 1,-0.2 61,-0.9 60,-0.1 5,-0.2 -0.034 68.3 -46.2 -53.2 167.4 -15.9 -0.1 6.4 9 9 A D B >> -A 68 0A 79 59,-0.2 3,-2.6 1,-0.1 4,-2.0 -0.029 56.2-117.3 -42.3 134.0 -16.9 -2.4 3.4 10 10 A G T 34 S+ 0 0 14 57,-0.5 -1,-0.1 1,-0.3 58,-0.1 0.654 110.2 75.1 -54.9 -19.0 -14.9 -1.8 0.2 11 11 A A T 34 S+ 0 0 91 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.781 113.2 24.8 -62.2 -28.1 -18.2 -0.7 -1.5 12 12 A S T <4 S+ 0 0 72 -3,-2.6 2,-1.3 1,-0.1 5,-0.2 0.766 111.9 73.2-102.1 -44.9 -17.9 2.5 0.5 13 13 A L S < S+ 0 0 4 -4,-2.0 2,-0.2 -5,-0.2 -1,-0.1 -0.621 73.0 138.8 -76.0 94.2 -14.1 2.6 1.1 14 14 A T S >> S- 0 0 46 -2,-1.3 4,-1.1 -3,-0.1 3,-0.9 -0.658 71.6 -75.6-125.5-179.8 -12.9 3.6 -2.5 15 15 A F H 3> S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.830 125.8 62.1 -45.8 -41.0 -10.3 5.8 -4.2 16 16 A E H 3> S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 99.4 53.8 -57.4 -43.4 -12.5 8.9 -3.4 17 17 A V H <> S+ 0 0 15 -3,-0.9 4,-2.4 -5,-0.2 -1,-0.2 0.846 109.6 49.3 -59.5 -35.4 -12.1 8.2 0.4 18 18 A L H X S+ 0 0 0 -4,-1.1 4,-1.3 -3,-0.3 -2,-0.2 0.921 111.0 47.9 -72.5 -42.9 -8.3 8.3 -0.2 19 19 A D H X S+ 0 0 102 -4,-2.3 4,-0.5 2,-0.2 3,-0.3 0.960 118.3 41.1 -62.4 -49.4 -8.4 11.6 -2.2 20 20 A K H >X S+ 0 0 111 -4,-2.7 3,-1.9 1,-0.2 4,-1.6 0.935 107.4 59.9 -63.1 -48.9 -10.6 13.3 0.4 21 21 A V H 3X>S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.3 5,-0.7 0.793 94.4 65.3 -57.4 -30.7 -8.9 11.9 3.6 22 22 A L H 3<5S+ 0 0 18 -4,-1.3 4,-0.3 -3,-0.3 -1,-0.3 0.836 110.7 37.6 -57.4 -34.4 -5.5 13.5 2.5 23 23 A G H <<5S+ 0 0 65 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.827 120.0 46.5 -85.5 -36.2 -7.3 16.9 3.0 24 24 A E H <5S+ 0 0 139 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.2 0.961 129.4 20.8 -69.6 -58.0 -9.3 15.9 6.2 25 25 A L T <5S+ 0 0 43 -4,-2.5 -3,-0.2 -5,-0.1 -1,-0.1 0.598 84.8 157.3 -91.3 -15.5 -6.6 14.2 8.3 26 26 A G < - 0 0 35 -5,-0.7 -4,-0.1 -4,-0.3 -24,-0.1 0.208 17.9-176.0 -18.2 86.7 -3.7 15.9 6.4 27 27 A K - 0 0 60 47,-0.1 2,-0.2 -26,-0.0 -1,-0.1 0.935 60.1 -8.8 -59.9 -61.1 -0.8 15.7 8.9 28 28 A V S S- 0 0 45 2,-0.1 -1,-0.0 51,-0.0 51,-0.0 -0.699 91.0 -72.4-132.7-177.9 2.0 17.7 7.1 29 29 A S S S+ 0 0 83 -2,-0.2 2,-0.5 1,-0.2 -3,-0.0 0.810 124.4 39.0 -52.2 -39.9 2.7 19.2 3.6 30 30 A R S S+ 0 0 67 49,-0.4 46,-0.8 53,-0.1 2,-0.3 -0.979 78.8 170.2-117.9 116.1 3.1 15.8 2.0 31 31 A K E -B 75 0A 58 -2,-0.5 2,-0.4 44,-0.2 44,-0.2 -0.898 21.4-146.4-127.1 150.5 0.7 13.1 3.3 32 32 A I E +B 74 0A 7 42,-2.1 42,-0.7 -2,-0.3 2,-0.4 -0.987 15.3 175.5-128.2 123.6 -0.1 9.5 2.1 33 33 A A E +B 73 0A 0 -2,-0.4 137,-1.0 40,-0.2 2,-0.3 -0.991 9.9 177.7-125.2 116.6 -3.5 7.8 2.3 34 34 A V E -Bc 72 170A 0 38,-1.2 38,-1.3 -2,-0.4 2,-0.4 -0.860 17.3-151.3-116.1 158.8 -3.8 4.3 0.7 35 35 A G E -Bc 71 171A 2 135,-2.5 137,-1.5 -2,-0.3 2,-0.4 -0.844 13.1-177.1-135.8 92.8 -6.8 1.9 0.6 36 36 A I E -Bc 70 172A 0 34,-0.8 34,-2.4 -2,-0.4 2,-0.6 -0.782 15.0-148.1 -89.6 137.3 -6.2 -1.9 0.5 37 37 A D E -Bc 69 173A 12 135,-2.6 137,-2.0 -2,-0.4 2,-1.0 -0.920 5.3-149.1-108.1 112.1 -9.3 -4.2 0.2 38 38 A N E +B 68 0A 0 30,-1.9 29,-1.2 -2,-0.6 30,-1.2 -0.716 49.3 129.1 -78.7 98.1 -8.9 -7.6 1.9 39 39 A E + 0 0 78 -2,-1.0 137,-0.3 27,-0.2 -1,-0.2 0.161 35.7 108.8-134.2 13.7 -11.0 -10.1 -0.1 40 40 A S S S- 0 0 1 2,-0.2 -2,-0.1 -3,-0.1 135,-0.0 0.747 99.0 -88.1 -61.8 -26.9 -8.2 -12.8 -0.6 41 41 A G S S+ 0 0 34 1,-0.3 54,-0.2 53,-0.0 2,-0.2 0.749 90.6 45.3 110.1 77.6 -10.1 -15.2 1.9 42 42 A G S S- 0 0 14 -4,-0.1 -1,-0.3 52,-0.1 2,-0.3 -0.537 87.6 -71.6 144.7 155.9 -9.2 -14.8 5.6 43 43 A T - 0 0 60 -2,-0.2 2,-0.8 23,-0.1 51,-0.4 -0.548 48.2-128.8 -68.9 129.4 -8.7 -12.2 8.4 44 44 A W E -E 64 0B 0 20,-2.0 20,-1.6 -2,-0.3 2,-0.5 -0.756 22.2-162.0 -86.6 111.1 -5.4 -10.3 8.0 45 45 A T E -EF 63 92B 56 47,-1.7 47,-2.4 -2,-0.8 18,-0.2 -0.806 23.2-116.6 -90.9 127.9 -3.4 -10.4 11.2 46 46 A A E + F 0 91B 32 16,-1.1 45,-0.2 15,-0.7 3,-0.1 -0.432 40.0 164.5 -62.2 138.4 -0.6 -7.8 11.5 47 47 A L E - 0 0 48 43,-0.9 2,-0.3 1,-0.3 -1,-0.1 0.711 58.4 -36.2-120.4 -54.6 3.0 -9.2 11.7 48 48 A N E - F 0 90B 55 42,-0.6 42,-1.7 77,-0.1 -1,-0.3 -0.943 47.6-154.5-170.8 154.4 5.5 -6.4 11.0 49 49 A A E - F 0 89B 36 -2,-0.3 2,-0.4 40,-0.2 40,-0.3 -0.910 7.1-148.2-133.2 163.0 6.0 -3.2 8.8 50 50 A Y E - F 0 88B 58 38,-3.1 38,-2.8 -2,-0.3 2,-0.5 -0.916 13.8-176.2-140.2 106.2 8.9 -1.3 7.5 51 51 A F E + F 0 87B 37 -2,-0.4 36,-0.2 36,-0.2 -2,-0.0 -0.920 14.5 161.5-111.1 118.2 8.7 2.5 7.0 52 52 A R S S- 0 0 116 34,-1.1 35,-0.2 -2,-0.5 -1,-0.1 0.756 85.7 -1.2-104.4 -35.9 11.7 4.5 5.4 53 53 A S S S+ 0 0 2 33,-2.6 34,-0.2 23,-0.1 22,-0.1 0.637 124.2 64.9-124.0 -41.8 10.1 7.8 4.3 54 54 A G S S+ 0 0 0 32,-2.0 21,-0.7 22,-0.1 22,-0.2 0.137 74.3 178.3 -74.0 16.7 6.4 7.5 5.3 55 55 A T + 0 0 51 19,-0.2 20,-0.5 31,-0.2 2,-0.2 0.111 12.9 155.1 -32.9 110.3 7.4 7.4 9.1 56 56 A T - 0 0 32 18,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.658 50.4-112.3-131.4-177.1 4.1 7.2 11.1 57 57 A D S S- 0 0 141 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.939 91.2 -1.1 -85.4 -65.0 2.6 6.0 14.5 58 58 A V + 0 0 77 1,-0.1 -1,-0.3 3,-0.0 15,-0.3 -0.999 57.4 142.2-137.4 134.2 0.3 3.0 13.6 59 59 A I + 0 0 24 -2,-0.3 -1,-0.1 1,-0.1 12,-0.1 0.496 62.2 75.2-136.7 -30.0 -0.7 1.4 10.2 60 60 A L S S- 0 0 31 12,-0.0 -1,-0.1 -14,-0.0 2,-0.1 -0.824 71.2-154.2 -94.4 97.1 -0.9 -2.4 11.0 61 61 A P - 0 0 47 0, 0.0 -15,-0.7 0, 0.0 3,-0.1 -0.372 27.5-109.2 -66.9 154.3 -4.2 -3.0 12.9 62 62 A E S S- 0 0 176 1,-0.2 -16,-1.1 -17,-0.1 2,-0.3 0.884 96.0 -7.2 -50.4 -50.8 -4.4 -6.1 15.2 63 63 A V E -E 45 0B 75 -18,-0.2 -18,-0.2 2,-0.0 -1,-0.2 -0.982 63.2-155.4-149.5 140.9 -6.9 -8.0 12.9 64 64 A V E -E 44 0B 2 -20,-1.6 -20,-2.0 -2,-0.3 6,-0.1 -0.988 21.2-127.4-120.9 125.4 -8.7 -7.0 9.7 65 65 A P > - 0 0 48 0, 0.0 3,-0.5 0, 0.0 -27,-0.2 -0.308 28.6-110.0 -66.2 152.0 -12.0 -8.7 8.6 66 66 A N T 3 S+ 0 0 66 1,-0.2 -27,-0.2 -27,-0.1 3,-0.1 -0.253 97.7 37.8 -74.5 171.0 -12.3 -10.2 5.0 67 67 A T T 3 S+ 0 0 64 -29,-1.2 -57,-0.5 1,-0.2 2,-0.2 0.627 108.1 90.4 55.4 20.4 -14.5 -8.7 2.2 68 68 A K E < -AB 9 38A 76 -30,-1.2 -30,-1.9 -3,-0.5 2,-0.3 -0.749 67.3-130.0-133.6 174.0 -13.6 -5.2 3.7 69 69 A A E - 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0 0 50 -2,-0.2 -6,-0.3 1,-0.1 3,-0.2 -0.280 60.1-114.6 -60.7 150.1 11.0 12.2 0.2 84 84 A G S S- 0 0 6 22,-0.3 2,-0.2 1,-0.2 23,-0.1 0.955 74.9 -39.1 -53.1 -75.7 7.2 12.0 -0.7 85 85 A A E + G 0 105B 3 20,-2.7 20,-1.3 21,-0.1 2,-0.4 -0.650 63.6 166.7-166.0 102.6 6.0 8.6 0.8 86 86 A V E + G 0 104B 8 18,-0.2 -33,-2.6 -2,-0.2 -32,-2.0 -0.985 19.1 124.9-129.0 124.7 8.0 5.3 0.9 87 87 A A E -FG 51 103B 3 16,-2.1 16,-1.9 -2,-0.4 2,-0.3 -0.971 33.2-152.8-167.8 159.5 7.2 2.2 3.0 88 88 A A E +FG 50 102B 4 -38,-2.8 -38,-3.1 -2,-0.3 2,-0.3 -0.997 16.3 174.1-141.1 143.9 6.5 -1.6 2.8 89 89 A F E -FG 49 101B 0 12,-1.7 12,-0.9 -2,-0.3 2,-0.3 -0.910 16.4-139.5-140.6 168.5 4.4 -3.8 5.1 90 90 A A E -FG 48 100B 0 -42,-1.7 -43,-0.9 -2,-0.3 -42,-0.6 -0.974 4.6-153.3-137.1 155.0 3.2 -7.5 5.3 91 91 A Y E -FG 46 99B 0 8,-2.0 8,-2.1 -2,-0.3 2,-0.6 -0.988 18.5-129.1-130.9 127.2 -0.1 -9.3 6.3 92 92 A Y E -FG 45 98B 87 -47,-2.4 -47,-1.7 -2,-0.4 2,-0.4 -0.664 23.2-151.8 -82.5 114.6 -0.4 -12.8 7.6 93 93 A M E >> - G 0 97B 3 4,-2.6 3,-1.9 -2,-0.6 4,-0.6 -0.725 16.2-137.0 -84.1 136.5 -3.1 -14.8 5.7 94 94 A S T 34 S+ 0 0 102 -2,-0.4 -1,-0.1 -51,-0.4 -52,-0.1 0.697 101.6 72.7 -64.3 -19.1 -5.0 -17.7 7.4 95 95 A N T 34 S- 0 0 112 -54,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.589 125.1 -95.4 -69.3 -13.7 -4.5 -19.7 4.2 96 96 A G T <4 S+ 0 0 36 -3,-1.9 2,-0.2 1,-0.4 -2,-0.2 0.663 91.5 98.3 104.3 23.1 -0.7 -20.1 5.1 97 97 A N E < -G 93 0B 29 -4,-0.6 -4,-2.6 26,-0.1 2,-0.4 -0.786 64.2-126.4-130.0 173.9 0.9 -17.2 3.1 98 98 A T E -GH 92 121B 0 23,-2.3 23,-2.2 -2,-0.2 2,-0.8 -0.931 14.3-144.7-130.5 107.8 2.1 -13.6 3.8 99 99 A L E -GH 91 120B 2 -8,-2.1 -8,-2.0 -2,-0.4 2,-0.9 -0.621 16.9-165.4 -70.7 105.5 0.8 -10.7 1.6 100 100 A G E -GH 90 119B 0 19,-2.4 19,-1.6 -2,-0.8 2,-0.3 -0.817 4.3-163.3 -97.2 95.1 3.8 -8.2 1.3 101 101 A V E -GH 89 118B 4 -12,-0.9 -12,-1.7 -2,-0.9 2,-0.4 -0.582 3.6-162.9 -76.2 139.9 2.5 -4.9 -0.1 102 102 A M E +GH 88 117B 1 15,-1.7 15,-0.6 -2,-0.3 2,-0.4 -0.990 12.1 172.5-129.7 125.8 5.1 -2.5 -1.5 103 103 A F E +G 87 0B 2 -16,-1.9 -16,-2.1 -2,-0.4 2,-0.4 -0.996 4.7 179.6-136.9 135.0 4.7 1.3 -2.2 104 104 A S E +G 86 0B 9 -2,-0.4 -18,-0.2 -18,-0.2 -2,-0.0 -0.974 7.7 172.9-137.6 121.3 7.2 4.0 -3.2 105 105 A V E -G 85 0B 23 -20,-1.3 -20,-2.7 -2,-0.4 -21,-0.1 -0.943 15.8-176.5-125.8 98.9 6.5 7.7 -3.8 106 106 A P - 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