==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-OCT-04 1WAA . COMPND 2 MOLECULE: TITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.VEGA,L.VALENCIA,P.ZOU,M.WILMANNS . 552 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 38.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 23 4.2 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 . 47 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.6 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 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 PARALLEL BRIDGES PER LADDER . 4 12 0 5 1 12 6 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 2 10 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 A 0 0 145 0, 0.0 2,-0.3 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 103.1 70.9 56.4 78.9 2 -1 A M - 0 0 85 96,-0.0 2,-0.0 1,-0.0 117,-0.0 -0.877 360.0-101.5-119.1 148.9 68.5 55.4 81.6 3 0 A A - 0 0 85 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.330 36.8-116.7 -63.7 140.4 68.6 52.7 84.3 4 1 A L - 0 0 114 1,-0.1 2,-0.2 76,-0.0 -1,-0.1 -0.409 40.2 -95.2 -65.0 155.0 66.6 49.5 83.7 5 2 A I - 0 0 29 73,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.551 47.7-164.8 -73.9 141.9 63.8 48.8 86.2 6 3 A E - 0 0 94 -2,-0.2 23,-2.0 75,-0.1 2,-0.6 -0.852 24.8-110.9-128.0 158.6 64.8 46.6 89.1 7 4 A V E +A 28 0A 42 -2,-0.3 21,-0.2 21,-0.2 75,-0.0 -0.837 30.6 176.7 -88.4 117.8 63.1 44.6 91.8 8 5 A E E S+ 0 0 30 19,-2.4 20,-0.2 -2,-0.6 -1,-0.2 0.824 78.6 19.4 -89.0 -40.9 63.7 46.2 95.2 9 6 A K E S-A 27 0A 88 18,-1.9 18,-2.1 456,-0.0 -1,-0.3 -0.953 86.1-147.8-130.3 113.9 61.6 43.8 97.3 10 7 A P - 0 0 65 0, 0.0 2,-0.1 0, 0.0 15,-0.1 -0.185 30.7 -79.6 -75.7 169.0 60.8 40.5 95.6 11 8 A L - 0 0 12 65,-0.1 2,-0.3 13,-0.1 73,-0.2 -0.440 42.2-147.5 -59.6 139.2 57.7 38.4 95.9 12 9 A Y - 0 0 187 13,-0.3 13,-0.2 -2,-0.1 73,-0.1 -0.811 27.1 -97.9-107.0 152.9 57.4 36.3 99.1 13 10 A G - 0 0 54 -2,-0.3 2,-0.4 71,-0.1 74,-0.2 -0.309 37.7-150.0 -65.7 148.8 55.7 32.8 99.1 14 11 A V E -e 87 0B 32 72,-2.6 74,-2.5 8,-0.0 2,-0.4 -0.976 10.3-162.5-126.1 140.3 52.1 32.7 100.4 15 12 A E E +e 88 0B 108 -2,-0.4 2,-0.3 72,-0.2 74,-0.2 -0.939 20.2 168.0-113.3 144.1 50.1 29.9 102.1 16 13 A V E -e 89 0B 9 72,-2.3 74,-2.9 -2,-0.4 2,-0.2 -0.988 31.0-123.6-156.3 139.2 46.3 30.1 102.2 17 14 A F E > -e 90 0B 80 -2,-0.3 3,-2.4 72,-0.2 49,-0.2 -0.640 52.2 -77.2 -82.1 152.7 43.4 27.7 103.1 18 15 A V T 3 S+ 0 0 53 72,-2.5 49,-0.2 1,-0.3 -1,-0.1 -0.120 119.3 17.3 -44.0 135.1 40.7 27.0 100.5 19 16 A G T 3 S+ 0 0 28 47,-3.0 46,-0.6 1,-0.3 -1,-0.3 0.266 105.0 106.3 83.6 -12.9 38.2 29.8 100.2 20 17 A E S < S- 0 0 111 -3,-2.4 46,-2.7 46,-0.2 2,-0.4 -0.319 72.5-100.3 -90.4 177.7 40.5 32.3 101.9 21 18 A T - 0 0 30 43,-0.2 2,-0.4 44,-0.2 43,-0.2 -0.848 22.4-156.6-108.7 140.4 42.5 35.1 100.2 22 19 A A E - B 0 63A 0 41,-2.5 41,-3.1 -2,-0.4 2,-0.4 -0.897 8.2-162.5-106.1 137.9 46.1 35.4 99.2 23 20 A H E - B 0 62A 30 -2,-0.4 2,-0.3 39,-0.2 39,-0.2 -0.988 5.2-172.9-124.0 133.3 48.0 38.7 98.8 24 21 A F E - B 0 61A 4 37,-2.7 37,-2.4 -2,-0.4 2,-0.3 -0.930 4.2-175.1-120.1 150.4 51.3 39.2 96.9 25 22 A E E + B 0 60A 35 -2,-0.3 2,-0.3 35,-0.2 -13,-0.3 -0.999 8.6 178.5-147.5 144.3 53.4 42.3 96.8 26 23 A I E - B 0 59A 1 33,-2.0 33,-2.5 -2,-0.3 2,-0.5 -0.981 16.1-147.2-140.9 149.0 56.5 43.5 95.0 27 24 A E E -AB 9 58A 27 -18,-2.1 -19,-2.4 -2,-0.3 -18,-1.9 -0.993 14.8-157.8-121.7 129.2 58.3 46.8 95.0 28 25 A L E -A 7 0A 0 29,-2.9 -21,-0.2 -2,-0.5 29,-0.1 -0.473 30.1-108.7 -94.9 168.5 60.1 48.1 92.0 29 26 A S S S+ 0 0 13 -23,-2.0 -22,-0.1 -2,-0.2 28,-0.1 0.588 100.5 30.1 -73.6 -14.4 62.9 50.7 91.7 30 27 A E S S- 0 0 69 -24,-0.2 3,-0.5 27,-0.2 -2,-0.2 -0.959 83.1-110.4-152.8 147.5 60.7 53.3 90.2 31 28 A P S S+ 0 0 11 0, 0.0 26,-0.2 0, 0.0 466,-0.0 -0.540 89.4 26.4 -73.8 157.8 56.9 54.3 90.4 32 29 A D S S+ 0 0 50 24,-1.3 2,-0.4 1,-0.2 115,-0.2 0.738 76.3 152.5 69.8 27.7 54.3 54.0 87.7 33 30 A V - 0 0 24 -3,-0.5 2,-0.3 23,-0.4 -1,-0.2 -0.746 42.2-127.5 -92.2 135.0 55.9 51.1 85.8 34 31 A H + 0 0 69 -2,-0.4 2,-0.2 296,-0.0 45,-0.2 -0.650 39.3 158.1 -87.2 137.9 53.5 48.8 83.9 35 32 A G - 0 0 36 -2,-0.3 2,-0.3 43,-0.2 43,-0.3 -0.768 30.2-128.7-145.1-176.9 53.7 45.1 84.6 36 33 A Q E -F 77 0B 46 41,-2.0 41,-1.8 -2,-0.2 2,-0.3 -0.996 12.5-143.2-148.6 137.7 51.8 41.8 84.3 37 34 A W E -F 76 0B 6 -2,-0.3 7,-2.0 39,-0.2 2,-0.3 -0.792 15.6-168.6-102.6 144.2 51.0 39.1 86.8 38 35 A K E -FG 75 43B 64 37,-2.5 37,-2.3 -2,-0.3 2,-0.4 -0.940 12.2-155.0-129.8 153.4 50.9 35.3 86.0 39 36 A L E > S-FG 74 42B 21 3,-2.5 3,-2.0 -2,-0.3 35,-0.2 -0.997 88.5 -10.6-128.1 122.4 49.7 32.2 87.9 40 37 A K T 3 S- 0 0 117 33,-3.1 -1,-0.1 -2,-0.4 34,-0.1 0.910 131.8 -57.4 51.1 44.5 51.2 29.0 86.9 41 38 A G T 3 S+ 0 0 37 32,-0.6 -1,-0.3 1,-0.2 33,-0.1 0.440 114.5 115.5 67.6 3.2 52.7 30.9 83.9 42 39 A Q E < S-G 39 0B 137 -3,-2.0 -3,-2.5 1,-0.0 -1,-0.2 -0.890 73.0-111.2-104.7 132.0 49.2 32.0 82.6 43 40 A P E -G 38 0B 37 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.326 36.8-118.3 -61.4 141.6 48.4 35.8 82.6 44 41 A L - 0 0 32 -7,-2.0 2,-0.5 3,-0.0 -7,-0.2 -0.700 13.6-142.2 -90.8 128.7 45.7 36.7 85.1 45 42 A A - 0 0 47 -2,-0.4 2,-0.1 269,-0.0 269,-0.0 -0.794 29.0-117.0 -83.5 127.6 42.4 38.2 84.1 46 43 A A + 0 0 34 -2,-0.5 5,-0.2 309,-0.1 311,-0.1 -0.432 51.0 150.4 -64.4 135.2 41.3 40.8 86.6 47 44 A S B > -C 50 0A 52 3,-2.6 3,-1.2 -2,-0.1 5,-0.1 -0.910 65.4 -83.8-154.2 173.0 38.0 39.9 88.4 48 45 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.889 134.9 41.5 -54.2 -32.5 36.1 40.4 91.6 49 46 A D T 3 S+ 0 0 81 1,-0.2 15,-2.2 14,-0.1 2,-0.4 0.438 116.5 49.1 -94.6 0.3 38.3 37.4 92.8 50 47 A C E < S-CD 47 63A 10 -3,-1.2 -3,-2.6 13,-0.2 2,-0.5 -0.860 71.4-176.4-142.6 99.0 41.6 38.5 91.2 51 48 A E E - D 0 62A 23 11,-2.9 11,-2.2 -2,-0.4 2,-0.5 -0.879 11.8-160.6-113.8 127.9 42.5 42.1 91.8 52 49 A I E - D 0 61A 22 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.931 17.7-175.6-111.6 124.2 45.6 43.8 90.3 53 50 A I E - D 0 60A 4 7,-3.0 7,-2.8 -2,-0.5 2,-0.4 -0.928 12.8-172.0-127.4 138.3 46.7 46.9 92.2 54 51 A E E + D 0 59A 54 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -1.000 10.5 165.5-129.5 139.9 49.4 49.5 91.5 55 52 A D E > - D 0 58A 22 3,-2.5 3,-2.3 -2,-0.4 2,-0.1 -0.795 64.7 -61.3-153.1 102.9 50.5 52.3 93.9 56 53 A G T 3 S- 0 0 8 1,-0.3 -24,-1.3 -2,-0.3 -23,-0.4 -0.349 123.0 -8.3 59.2-123.1 53.8 54.1 93.1 57 54 A K T 3 S+ 0 0 61 440,-0.2 -29,-2.9 -26,-0.2 2,-0.4 0.525 120.4 94.9 -78.4 -9.5 56.6 51.6 93.3 58 55 A K E < -BD 27 55A 20 -3,-2.3 -3,-2.5 -31,-0.2 2,-0.4 -0.712 50.3-172.2 -93.1 136.6 54.3 48.9 94.7 59 56 A H E -BD 26 54A 6 -33,-2.5 -33,-2.0 -2,-0.4 2,-0.4 -0.991 11.9-170.6-121.0 131.3 52.4 46.2 92.7 60 57 A I E -BD 25 53A 5 -7,-2.8 -7,-3.0 -2,-0.4 2,-0.4 -0.971 12.8-165.9-126.6 141.2 49.8 44.1 94.6 61 58 A L E -BD 24 52A 0 -37,-2.4 -37,-2.7 -2,-0.4 2,-0.5 -0.994 6.7-168.1-123.4 127.8 47.9 41.0 93.6 62 59 A I E -BD 23 51A 1 -11,-2.2 -11,-2.9 -2,-0.4 2,-0.6 -0.980 0.1-169.1-119.7 119.9 44.9 39.9 95.7 63 60 A L E -BD 22 50A 4 -41,-3.1 -41,-2.5 -2,-0.5 3,-0.4 -0.941 9.3-164.8-114.9 107.2 43.4 36.4 95.1 64 61 A H + 0 0 29 -15,-2.2 -43,-0.2 -2,-0.6 -44,-0.2 -0.526 66.2 15.9 -88.7 158.0 40.1 35.8 96.8 65 62 A N S S- 0 0 82 -46,-0.6 -1,-0.2 -2,-0.2 -44,-0.2 0.878 85.2-154.5 49.1 50.2 38.4 32.4 97.3 66 63 A C - 0 0 0 -46,-2.7 -47,-3.0 -3,-0.4 2,-0.3 -0.221 8.2-156.6 -59.4 142.3 41.6 30.4 96.6 67 64 A Q > - 0 0 84 -49,-0.2 3,-2.7 -48,-0.1 4,-0.2 -0.859 28.5-109.4-122.7 155.8 41.1 26.9 95.3 68 65 A L G > S+ 0 0 79 -2,-0.3 3,-1.7 1,-0.3 21,-0.2 0.821 115.1 62.4 -49.9 -39.3 43.4 23.8 95.3 69 66 A G G 3 S+ 0 0 55 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.617 91.1 70.9 -63.8 -11.9 44.0 24.0 91.6 70 67 A M G < + 0 0 41 -3,-2.7 -1,-0.3 2,-0.0 -2,-0.2 0.552 66.5 121.4 -83.2 -7.8 45.6 27.4 92.1 71 68 A T < + 0 0 60 -3,-1.7 2,-0.3 -4,-0.2 17,-0.2 -0.341 50.1 65.7 -62.7 126.6 48.7 25.9 93.8 72 69 A G E S- H 0 87B 17 15,-2.1 15,-2.4 -2,-0.1 2,-0.4 -0.978 84.9 -17.5 154.0-163.0 51.9 27.0 91.9 73 70 A E E - H 0 86B 100 -2,-0.3 -33,-3.1 13,-0.2 -32,-0.6 -0.586 40.2-163.5 -85.5 128.6 54.0 29.9 90.9 74 71 A V E +FH 39 85B 0 11,-3.3 11,-3.0 -2,-0.4 2,-0.3 -0.906 22.0 179.3-100.2 131.6 52.9 33.5 91.0 75 72 A S E -FH 38 84B 4 -37,-2.3 -37,-2.5 -2,-0.5 2,-0.3 -0.938 18.1-161.2-134.1 158.5 55.1 35.7 88.9 76 73 A F E -FH 37 83B 1 7,-2.5 7,-2.3 -2,-0.3 2,-0.4 -0.989 6.8-175.7-137.4 142.7 55.3 39.4 88.0 77 74 A Q E +FH 36 82B 81 -41,-1.8 -41,-2.0 -2,-0.3 2,-0.3 -0.991 11.4 173.3-141.2 133.4 57.2 41.1 85.1 78 75 A A E > - H 0 81B 1 3,-2.2 3,-1.7 -2,-0.4 2,-0.3 -0.850 69.4 -65.2-138.8 98.1 57.6 44.8 84.3 79 76 A A T 3 S- 0 0 66 245,-0.4 -1,-0.1 -2,-0.3 -75,-0.0 -0.425 123.3 -3.8 61.9-118.6 60.0 45.2 81.5 80 77 A N T 3 S+ 0 0 91 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.822 117.8 92.5 -67.0 -34.9 63.5 43.9 82.7 81 78 A T E < + H 0 78B 3 -3,-1.7 -3,-2.2 -75,-0.1 2,-0.4 -0.405 51.6 169.6 -75.5 131.4 62.2 43.3 86.3 82 79 A K E + H 0 77B 99 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.999 7.5 170.4-147.0 137.6 60.9 39.8 87.1 83 80 A S E - H 0 76B 11 -7,-2.3 -7,-2.5 -2,-0.4 2,-0.3 -0.994 6.1-173.4-145.1 153.1 60.0 38.0 90.3 84 81 A A E + H 0 75B 44 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -1.000 5.9 169.6-148.1 144.1 58.3 34.8 91.2 85 82 A A E - H 0 74B 15 -11,-3.0 -11,-3.3 -2,-0.3 2,-0.2 -0.982 34.4 -96.2-151.2 163.6 57.1 33.0 94.4 86 83 A N E - H 0 73B 89 -2,-0.3 -72,-2.6 -13,-0.2 2,-0.5 -0.504 21.0-158.4 -82.6 141.0 55.0 29.9 95.4 87 84 A L E -eH 14 72B 0 -15,-2.4 -15,-2.1 -74,-0.2 2,-0.5 -0.997 12.5-168.6-112.6 118.5 51.3 30.0 96.2 88 85 A K E -e 15 0B 89 -74,-2.5 -72,-2.3 -2,-0.5 2,-0.5 -0.976 4.8-161.7-110.6 117.7 50.3 27.0 98.4 89 86 A V E -e 16 0B 8 -2,-0.5 2,-0.3 -21,-0.2 -72,-0.2 -0.883 14.1-168.3 -97.3 124.8 46.6 26.3 98.9 90 87 A K E -e 17 0B 59 -74,-2.9 -72,-2.5 -2,-0.5 2,-0.5 -0.799 18.8-133.8-110.0 149.9 45.8 24.0 101.9 91 88 A E 0 0 143 -2,-0.3 -74,-0.1 -74,-0.2 -2,-0.0 -0.959 360.0 360.0-107.2 133.4 42.7 22.3 102.9 92 89 A L 0 0 190 -2,-0.5 -1,-0.1 -74,-0.1 -75,-0.0 0.726 360.0 360.0 17.2 360.0 41.9 22.7 106.6 93 !* 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 94 1 B L 0 0 157 0, 0.0 2,-0.4 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 114.2 66.9 68.6 84.8 95 2 B I - 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