==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 09-JUN-06 2DRK . COMPND 2 MOLECULE: MYOSIN HEAVY CHAIN IB; . SOURCE 2 ORGANISM_SCIENTIFIC: ACANTHAMOEBA CASTELLANII; . AUTHOR A.HOUDUSSE,A.BAHLOUL,E.M.OSTAP . 69 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 30.4 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 . 1 1.4 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 . 9 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.7 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+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 . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.6 -5.1 -13.4 6.2 2 2 A S - 0 0 56 1,-0.1 4,-0.0 2,-0.1 3,-0.0 -0.232 360.0-109.7 -64.3 152.4 -2.4 -11.1 5.0 3 3 A P S S- 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.672 93.1 -14.5 -61.3 -16.3 1.2 -12.4 5.1 4 4 A G S S- 0 0 21 29,-0.0 2,-0.6 0, 0.0 28,-0.2 -0.947 95.7 -50.5-162.5-170.9 1.8 -10.0 7.9 5 5 A I E -A 31 0A 84 26,-1.7 26,-3.4 -2,-0.3 2,-0.5 -0.619 51.4-146.7 -73.1 114.8 0.8 -7.0 9.9 6 6 A Q E +A 30 0A 126 -2,-0.6 2,-0.3 24,-0.2 24,-0.2 -0.754 25.2 172.3 -87.5 125.1 -0.1 -4.2 7.4 7 7 A V E -A 29 0A 23 22,-2.6 22,-2.9 -2,-0.5 2,-0.3 -0.955 29.6-117.2-132.5 151.4 0.8 -0.7 8.8 8 8 A K E -A 28 0A 97 -2,-0.3 49,-2.4 20,-0.2 2,-0.3 -0.682 24.9-122.7 -90.0 137.7 0.8 2.8 7.3 9 9 A A B -E 56 0B 4 18,-2.6 17,-2.5 -2,-0.3 47,-0.3 -0.638 17.5-163.8 -73.1 132.5 4.0 4.8 7.0 10 10 A L + 0 0 44 45,-3.1 2,-0.3 -2,-0.3 15,-0.2 0.631 69.9 17.6 -90.5 -21.7 3.6 8.2 8.7 11 11 A Y S S- 0 0 41 44,-0.8 2,-0.2 13,-0.1 -1,-0.1 -0.969 86.4 -92.2-145.5 159.2 6.6 9.9 7.1 12 12 A D - 0 0 67 -2,-0.3 2,-0.4 12,-0.2 12,-0.3 -0.515 41.0-170.8 -67.9 141.7 8.9 9.6 4.2 13 13 A Y B -F 23 0C 12 10,-2.5 10,-2.4 -2,-0.2 2,-0.6 -0.985 13.5-154.1-138.7 129.8 12.1 7.6 4.9 14 14 A D - 0 0 106 -2,-0.4 8,-0.2 8,-0.2 7,-0.1 -0.909 31.0-115.4-101.6 118.9 15.1 7.2 2.6 15 15 A A - 0 0 27 -2,-0.6 7,-0.1 1,-0.1 3,-0.1 -0.231 21.6-166.4 -52.8 134.9 17.1 4.1 3.2 16 16 A Q S S+ 0 0 134 5,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.399 75.7 33.5-105.3 -4.3 20.6 4.7 4.6 17 17 A T S > S- 0 0 63 4,-0.0 3,-1.3 1,-0.0 -1,-0.0 -0.947 87.4-109.9-137.7 167.5 21.7 1.1 3.9 18 18 A G T 3 S+ 0 0 59 -2,-0.3 -3,-0.1 1,-0.2 -1,-0.0 0.671 116.6 56.0 -67.8 -19.4 20.9 -1.6 1.3 19 19 A D T 3 S+ 0 0 113 30,-0.1 31,-2.7 2,-0.1 2,-0.3 0.375 93.4 85.0 -97.8 2.3 19.0 -3.6 3.9 20 20 A E B < S-b 50 0A 5 -3,-1.3 2,-0.4 29,-0.3 31,-0.2 -0.685 78.9-118.7 -94.8 156.9 16.7 -0.8 4.8 21 21 A L - 0 0 4 29,-2.4 2,-0.4 -2,-0.3 -5,-0.1 -0.761 13.6-145.5 -92.6 140.6 13.4 0.1 3.0 22 22 A T + 0 0 79 -2,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.884 34.9 156.0 -96.6 136.8 12.8 3.4 1.3 23 23 A F B -F 13 0C 5 -10,-2.4 -10,-2.5 -2,-0.4 2,-0.3 -0.954 32.9-126.8-154.6 170.6 9.2 4.5 1.6 24 24 A K > - 0 0 143 -2,-0.3 3,-2.5 -12,-0.3 -15,-0.3 -0.879 44.3 -81.2-120.5 153.4 6.8 7.5 1.5 25 25 A E T 3 S+ 0 0 113 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.311 120.1 29.8 -45.9 130.4 4.1 8.7 3.8 26 26 A G T 3 S+ 0 0 38 -17,-2.5 -1,-0.3 1,-0.3 -16,-0.1 0.226 85.6 133.9 94.4 -12.2 1.0 6.6 3.0 27 27 A D < - 0 0 43 -3,-2.5 -18,-2.6 -19,-0.1 2,-0.7 -0.375 56.8-126.5 -62.9 147.5 2.8 3.5 1.9 28 28 A T E -A 8 0A 54 -20,-0.2 2,-0.4 -3,-0.1 -20,-0.2 -0.905 25.9-162.5 -97.3 113.5 1.5 0.2 3.3 29 29 A I E -A 7 0A 0 -22,-2.9 -22,-2.6 -2,-0.7 2,-0.7 -0.831 13.2-139.1 -96.3 132.9 4.4 -1.7 5.0 30 30 A I E -AC 6 43A 32 13,-2.7 13,-1.3 -2,-0.4 2,-0.5 -0.842 19.7-149.4 -88.8 116.4 4.0 -5.4 5.7 31 31 A V E +AC 5 42A 3 -26,-3.4 -26,-1.7 -2,-0.7 11,-0.2 -0.771 22.9 173.7 -90.5 123.7 5.5 -6.1 9.1 32 32 A H E S+ 0 0 43 9,-2.8 2,-0.3 -2,-0.5 10,-0.2 0.820 70.0 7.7 -94.3 -42.1 7.0 -9.5 9.6 33 33 A Q E - C 0 41A 115 8,-1.7 8,-1.5 -28,-0.1 2,-1.1 -0.995 55.0-142.4-143.8 141.8 8.6 -9.1 13.0 34 34 A K - 0 0 102 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.560 39.0-168.1 -93.6 66.6 8.6 -6.4 15.7 35 35 A D > - 0 0 32 -2,-1.1 3,-0.6 1,-0.1 4,-0.1 -0.207 23.1-108.1 -60.1 145.3 12.2 -6.9 16.5 36 36 A P T 3 S+ 0 0 119 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.405 94.4 57.5 -66.8 149.4 13.5 -5.3 19.7 37 37 A A T 3 S- 0 0 79 1,-0.1 3,-0.1 -2,-0.1 -2,-0.1 0.470 117.8 -76.7 107.5 8.0 15.9 -2.3 19.2 38 38 A G S < S+ 0 0 25 -3,-0.6 15,-2.5 1,-0.1 16,-0.4 0.265 105.6 92.1 98.5 -12.7 13.8 0.1 17.2 39 39 A W E - D 0 52A 15 13,-0.2 2,-0.3 -3,-0.2 -1,-0.1 -0.976 57.2-158.3-120.1 129.0 14.0 -1.5 13.7 40 40 A W E - D 0 51A 19 11,-2.8 11,-2.2 -2,-0.4 2,-0.7 -0.763 24.6-112.6-106.0 151.1 11.4 -3.9 12.5 41 41 A E E +CD 33 50A 50 -8,-1.5 -9,-2.8 -2,-0.3 -8,-1.7 -0.745 55.3 159.2 -80.9 114.3 11.6 -6.6 9.7 42 42 A G E -CD 31 49A 0 7,-2.8 7,-2.3 -2,-0.7 2,-0.3 -0.665 32.4-139.3-129.7-176.2 9.3 -5.4 7.0 43 43 A E E +CD 30 48A 59 -13,-1.3 -13,-2.7 5,-0.2 2,-0.3 -0.983 17.5 171.2-151.3 135.9 8.5 -5.7 3.4 44 44 A L E > - D 0 47A 15 3,-2.4 3,-2.0 -2,-0.3 -22,-0.1 -0.961 68.9 -12.6-148.7 130.6 7.4 -3.2 0.7 45 45 A N T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -16,-0.0 0.844 129.3 -46.7 49.0 43.7 7.1 -3.5 -3.0 46 46 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.425 114.9 109.9 85.7 0.3 8.9 -6.9 -3.2 47 47 A K E < - D 0 44A 95 -3,-2.0 -3,-2.4 2,-0.0 2,-0.4 -0.936 55.0-149.5-112.1 131.5 11.8 -5.9 -1.0 48 48 A R E + D 0 43A 137 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.803 41.2 125.6 -90.8 135.2 12.4 -7.2 2.5 49 49 A G E - D 0 42A 9 -7,-2.3 -7,-2.8 -2,-0.4 -29,-0.3 -0.990 57.0 -63.5-174.9 174.8 14.2 -4.8 4.8 50 50 A W E -bD 20 41A 99 -31,-2.7 -29,-2.4 -2,-0.3 -9,-0.2 -0.515 38.0-166.7 -77.2 141.4 14.5 -2.9 8.0 51 51 A V E - D 0 40A 2 -11,-2.2 -11,-2.8 -2,-0.2 2,-0.5 -0.991 28.6-117.8-125.7 132.9 11.9 -0.2 8.8 52 52 A P E > - D 0 39A 0 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.623 25.3-143.8 -71.5 118.9 12.4 2.3 11.7 53 53 A A G > S+ 0 0 10 -15,-2.5 3,-1.2 -2,-0.5 -14,-0.1 0.757 94.9 64.8 -63.5 -24.7 9.4 1.4 13.9 54 54 A N G 3 S+ 0 0 60 -16,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.544 94.8 61.8 -73.5 -5.0 8.8 5.1 14.9 55 55 A Y G < S+ 0 0 12 -3,-2.3 -45,-3.1 2,-0.1 -44,-0.8 0.481 94.0 72.6 -96.2 -7.0 7.9 5.8 11.2 56 56 A V B < S-E 9 0B 5 -3,-1.2 -47,-0.2 -47,-0.3 2,-0.2 -0.793 96.7 -87.5-110.9 156.9 4.9 3.5 11.0 57 57 A Q S S- 0 0 116 -49,-2.4 -49,-0.1 -2,-0.3 -2,-0.1 -0.416 86.9 -25.5 -71.4 126.1 1.5 4.0 12.7 58 58 A D 0 0 133 -2,-0.2 -2,-0.2 -4,-0.1 -51,-0.0 0.018 360.0 360.0 64.6-177.4 1.3 2.7 16.2 59 59 A I 0 0 150 -5,-0.0 -5,-0.0 -25,-0.0 -25,-0.0 -0.942 360.0 360.0-138.2 360.0 3.4 -0.1 17.7 60 !* 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 61 1 B R 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.1 5.5 17.7 9.1 62 2 B P - 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.173 360.0-140.9 -64.3 150.8 8.6 17.0 11.3 63 3 B K - 0 0 103 1,-0.1 -8,-0.1 -52,-0.0 2,-0.1 -0.759 14.1-111.1-112.4 150.4 9.8 13.4 11.7 64 4 B P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -53,-0.0 -0.375 42.8-101.1 -71.5 159.0 11.2 11.5 14.6 65 5 B V - 0 0 120 1,-0.1 -11,-0.1 -2,-0.1 0, 0.0 -0.684 37.8-112.2 -81.3 132.9 14.9 10.5 14.5 66 6 B P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 -27,-0.1 -0.389 39.2-113.6 -58.4 143.0 15.6 6.9 13.4 67 7 B P - 0 0 28 0, 0.0 -29,-0.0 0, 0.0 -13,-0.0 -0.274 46.9 -65.7 -76.0 167.2 17.0 4.9 16.3 68 8 B P - 0 0 109 0, 0.0 -29,-0.1 0, 0.0 0, 0.0 -0.199 39.4-149.9 -52.4 142.3 20.6 3.5 16.4 69 9 B R 0 0 119 -3,-0.1 -30,-0.0 -31,-0.0 -31,-0.0 0.577 360.0 360.0 -92.8 -12.8 21.1 0.8 13.8 70 10 B G 0 0 114 -33,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.158 360.0 360.0 -86.2 360.0 23.7 -1.2 15.8