==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 22-OCT-10 3PDG . COMPND 2 MOLECULE: FIBRONECTIN(III)-LIKE MODULE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.M.ALAHUHTA,V.V.LUNIN . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 41.8 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 13 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.5 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+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 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 M 0 0 131 0, 0.0 25,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 164.2 -23.2 -18.9 -12.3 2 2 A V E -A 25 0A 4 76,-0.4 2,-0.4 23,-0.2 23,-0.2 -0.998 360.0-179.9-127.1 133.4 -21.3 -15.9 -13.8 3 3 A T E -A 24 0A 44 21,-2.2 21,-2.3 -2,-0.4 2,-0.5 -0.989 29.0-135.5-137.4 138.6 -21.2 -15.5 -17.6 4 4 A I E -A 23 0A 24 -2,-0.4 19,-0.3 19,-0.2 -2,-0.0 -0.855 23.1-179.3 -89.0 120.8 -19.6 -12.9 -19.9 5 5 A D E + 0 0 76 17,-2.7 18,-0.2 -2,-0.5 -1,-0.1 0.743 57.8 63.5 -94.4 -27.9 -22.4 -12.1 -22.5 6 6 A S E S+A 22 0A 49 16,-1.3 16,-3.0 1,-0.1 -1,-0.4 -0.974 93.4 29.0-150.2 139.2 -20.4 -9.7 -24.5 7 7 A P S S- 0 0 1 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.721 85.2-135.7 -65.1 171.7 -17.9 -10.0 -26.2 8 8 A V > - 0 0 84 -2,-0.2 3,-2.5 1,-0.1 -3,-0.1 -0.729 35.5 -80.4 -97.6 152.7 -18.1 -13.7 -27.3 9 9 A A T 3 S+ 0 0 70 -2,-0.3 75,-0.2 1,-0.3 -1,-0.1 -0.244 117.2 14.5 -57.7 130.7 -15.2 -16.0 -27.2 10 10 A G T 3 S+ 0 0 37 73,-3.8 -1,-0.3 1,-0.2 74,-0.2 0.374 86.2 151.6 84.1 -2.4 -13.0 -15.5 -30.2 11 11 A E < - 0 0 64 -3,-2.5 74,-1.9 72,-0.4 2,-0.4 -0.294 35.7-139.9 -57.3 144.3 -14.5 -12.1 -31.3 12 12 A R E -c 85 0B 123 72,-0.2 2,-0.3 74,-0.0 74,-0.2 -0.900 20.2-175.9-105.9 142.7 -12.2 -9.7 -33.2 13 13 A F E -c 86 0B 43 72,-2.4 74,-3.1 -2,-0.4 2,-0.3 -0.849 24.0-110.3-128.7 164.2 -12.1 -5.9 -32.6 14 14 A E E > -c 87 0B 73 -2,-0.3 3,-1.6 72,-0.2 74,-0.2 -0.783 43.9 -88.5 -99.2 147.3 -10.2 -2.9 -34.1 15 15 A A T 3 S+ 0 0 48 72,-2.3 44,-0.2 -2,-0.3 43,-0.1 -0.077 107.3 15.7 -54.5 134.9 -7.5 -0.9 -32.4 16 16 A G T 3 S+ 0 0 52 42,-3.1 41,-0.3 1,-0.3 -1,-0.2 0.330 92.6 121.7 84.7 -10.0 -8.6 2.1 -30.3 17 17 A K S < S- 0 0 137 -3,-1.6 41,-2.0 41,-0.3 -1,-0.3 -0.559 71.6-108.8 -75.4 143.5 -12.3 1.0 -30.1 18 18 A D - 0 0 69 39,-0.2 2,-0.7 -2,-0.2 38,-0.2 -0.557 24.0-139.4 -65.8 140.6 -13.7 0.5 -26.5 19 19 A I E - B 0 55A 0 36,-2.6 36,-1.9 -2,-0.2 2,-0.5 -0.941 19.3-152.4 -99.3 114.6 -14.3 -3.3 -25.7 20 20 A N E - B 0 54A 101 -2,-0.7 2,-0.5 34,-0.2 34,-0.2 -0.780 9.9-162.4 -92.7 124.5 -17.6 -3.3 -23.9 21 21 A I E - B 0 53A 2 32,-3.0 32,-1.7 -2,-0.5 2,-0.4 -0.899 8.1-174.7-113.4 132.3 -17.9 -6.2 -21.5 22 22 A S E -AB 6 52A 43 -16,-3.0 -17,-2.7 -2,-0.5 -16,-1.3 -0.987 2.4-173.9-126.4 140.5 -21.2 -7.4 -20.0 23 23 A A E -AB 4 51A 4 28,-2.5 28,-1.0 -2,-0.4 2,-0.4 -0.955 12.6-150.7-136.1 143.0 -21.6 -10.1 -17.4 24 24 A T E -A 3 0A 73 -21,-2.3 -21,-2.2 -2,-0.3 2,-0.5 -0.962 10.7-162.5-111.0 137.6 -24.7 -11.9 -15.9 25 25 A V E -A 2 0A 28 -2,-0.4 2,-0.6 -23,-0.2 -23,-0.2 -0.979 6.1-171.9-122.0 125.2 -24.7 -13.3 -12.3 26 26 A K + 0 0 145 -25,-2.7 2,-0.3 -2,-0.5 -2,-0.0 -0.970 31.2 134.6-113.0 116.4 -27.2 -15.7 -11.1 27 27 A S - 0 0 47 -2,-0.6 4,-0.1 1,-0.1 -2,-0.1 -0.984 55.0-139.5-157.8 149.6 -26.9 -16.3 -7.3 28 28 A K S S+ 0 0 204 -2,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.662 89.5 74.1 -76.1 -22.8 -29.1 -16.5 -4.2 29 29 A T S S- 0 0 40 1,-0.1 -2,-0.0 44,-0.0 0, 0.0 -0.749 98.5 -97.1 -95.5 142.3 -26.6 -14.6 -2.2 30 30 A P - 0 0 89 0, 0.0 42,-2.6 0, 0.0 2,-0.5 -0.313 34.9-128.3 -59.8 143.6 -26.2 -10.9 -2.7 31 31 A V E -D 71 0B 32 40,-0.2 40,-0.3 1,-0.2 3,-0.1 -0.796 18.3-170.6 -92.8 128.5 -23.4 -9.8 -5.0 32 32 A S E - 0 0 56 38,-2.5 2,-0.3 -2,-0.5 39,-0.2 0.863 69.2 -27.4 -83.9 -41.0 -21.1 -7.2 -3.6 33 33 A K E -D 70 0B 77 37,-1.6 37,-3.1 2,-0.0 2,-0.5 -0.963 49.5-128.5-166.5 156.3 -19.3 -6.5 -6.9 34 34 A V E -DE 69 46B 0 12,-2.5 12,-2.7 -2,-0.3 2,-0.4 -0.985 27.7-152.5-113.2 120.3 -18.4 -8.2 -10.2 35 35 A E E -DE 68 45B 20 33,-3.1 33,-2.8 -2,-0.5 2,-0.5 -0.807 3.8-151.7 -92.7 136.8 -14.7 -7.8 -10.9 36 36 A F E -DE 67 44B 2 8,-2.8 7,-3.0 -2,-0.4 8,-1.0 -0.966 17.1-174.2-116.3 129.0 -13.6 -7.8 -14.6 37 37 A Y E -DE 66 42B 39 29,-3.3 29,-2.1 -2,-0.5 2,-0.5 -0.882 28.2-154.4-120.6 151.6 -10.1 -9.0 -15.6 38 38 A N E > S-DE 65 41B 46 3,-2.9 3,-2.2 -2,-0.3 2,-0.3 -0.958 84.2 -48.0-118.5 109.8 -7.8 -9.2 -18.6 39 39 A G T 3 S- 0 0 32 25,-2.7 27,-0.1 -2,-0.5 24,-0.0 -0.540 123.8 -25.9 57.3-123.0 -5.6 -12.1 -17.7 40 40 A D T 3 S+ 0 0 155 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.418 116.9 102.8 -97.5 1.5 -4.5 -11.3 -14.1 41 41 A T E < S-E 38 0B 99 -3,-2.2 -3,-2.9 1,-0.0 2,-0.4 -0.737 71.8-128.9 -93.5 126.2 -5.0 -7.5 -14.5 42 42 A L E -E 37 0B 84 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.601 22.5-176.8 -71.7 122.6 -8.1 -5.9 -13.0 43 43 A I E - 0 0 46 -7,-3.0 2,-0.3 -2,-0.4 -1,-0.2 0.954 57.9 -65.2 -80.7 -58.0 -9.9 -3.8 -15.5 44 44 A S E -E 36 0B 44 -8,-1.0 -8,-2.8 2,-0.0 -1,-0.4 -0.933 46.9-119.6-174.5-178.2 -12.6 -2.4 -13.2 45 45 A S E -E 35 0B 56 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.949 9.2-150.2-142.0 165.4 -15.5 -3.6 -11.2 46 46 A D E -E 34 0B 30 -12,-2.7 -12,-2.5 -2,-0.3 5,-0.1 -0.996 9.8-172.8-140.4 132.9 -19.3 -3.0 -10.9 47 47 A T S S+ 0 0 89 -2,-0.4 2,-0.4 -14,-0.2 -1,-0.1 0.478 71.9 67.0-101.0 -2.1 -21.6 -3.3 -7.9 48 48 A T S S- 0 0 88 2,-0.2 4,-0.2 4,-0.1 -1,-0.1 -0.975 86.5 -93.7-127.9 126.2 -24.8 -2.8 -9.8 49 49 A A S S+ 0 0 63 -2,-0.4 2,-0.1 2,-0.1 -25,-0.1 -0.462 103.3 58.8 -73.5 152.5 -26.5 -5.1 -12.3 50 50 A P S S- 0 0 112 0, 0.0 2,-0.4 0, 0.0 -2,-0.2 0.635 93.5-142.9 -68.7 138.0 -26.4 -5.2 -15.3 51 51 A Y E +B 23 0A 25 -28,-1.0 -28,-2.5 -2,-0.1 2,-0.3 -0.676 31.1 159.3 -81.9 126.7 -22.7 -5.7 -14.7 52 52 A T E +B 22 0A 67 -2,-0.4 2,-0.3 -4,-0.2 -30,-0.2 -0.973 19.4 172.3-144.4 154.6 -20.3 -4.0 -17.2 53 53 A A E -B 21 0A 8 -32,-1.7 -32,-3.0 -2,-0.3 2,-0.3 -0.918 17.1-149.5-144.5 175.6 -16.7 -2.8 -17.7 54 54 A K E -B 20 0A 113 -2,-0.3 2,-0.7 -34,-0.2 -34,-0.2 -0.991 16.9-139.0-149.1 143.4 -14.9 -1.5 -20.7 55 55 A I E > -B 19 0A 25 -36,-1.9 -36,-2.6 -2,-0.3 3,-0.7 -0.970 38.0-142.0 -97.9 110.1 -11.3 -1.5 -22.0 56 56 A T T 3 S- 0 0 96 -2,-0.7 3,-0.2 1,-0.3 -38,-0.2 -0.558 72.8 -4.1 -84.1 134.4 -11.2 2.0 -23.2 57 57 A G T 3 S- 0 0 40 -41,-0.3 -1,-0.3 -2,-0.3 -39,-0.2 0.905 91.2-139.0 53.1 54.7 -9.3 2.5 -26.5 58 58 A A < - 0 0 1 -41,-2.0 -42,-3.1 -3,-0.7 -41,-0.3 -0.093 9.6-139.7 -55.9 126.7 -8.1 -1.1 -26.7 59 59 A A - 0 0 67 -44,-0.2 2,-0.1 -3,-0.2 27,-0.1 -0.352 37.6 -79.4 -77.7 166.7 -4.5 -1.5 -27.8 60 60 A V S S+ 0 0 86 -2,-0.1 2,-0.2 25,-0.1 27,-0.2 -0.399 83.2 63.7 -71.1 143.2 -3.6 -4.3 -30.2 61 61 A G E S- F 0 86B 27 25,-1.9 25,-2.6 -2,-0.1 2,-0.3 -0.875 83.7 -45.3 142.4-172.1 -3.2 -8.0 -28.9 62 62 A A E - F 0 85B 74 -2,-0.2 2,-0.4 23,-0.2 23,-0.2 -0.739 47.3-164.9 -96.1 136.0 -4.9 -11.0 -27.3 63 63 A Y E - F 0 84B 22 21,-2.5 21,-2.1 -2,-0.3 2,-0.8 -0.997 10.7-157.4-123.5 131.8 -7.1 -10.3 -24.3 64 64 A N E - F 0 83B 78 -2,-0.4 -25,-2.7 19,-0.2 2,-0.3 -0.843 20.7-159.4-111.9 96.7 -8.3 -13.0 -22.0 65 65 A L E +DF 38 82B 1 17,-2.6 17,-3.4 -2,-0.8 2,-0.3 -0.542 16.1 170.1 -86.7 137.1 -11.4 -11.7 -20.3 66 66 A K E -D 37 0B 45 -29,-2.1 -29,-3.3 -2,-0.3 2,-0.4 -0.997 19.0-154.1-139.2 143.0 -12.8 -13.0 -17.1 67 67 A A E -D 36 0B 0 13,-0.4 12,-2.7 -2,-0.3 2,-0.5 -0.957 8.6-168.8-111.5 141.5 -15.5 -11.9 -14.7 68 68 A V E -DG 35 78B 5 -33,-2.8 -33,-3.1 -2,-0.4 2,-0.4 -0.983 12.2-147.2-131.0 112.2 -15.5 -12.8 -11.0 69 69 A A E -DG 34 77B 0 8,-2.5 8,-2.7 -2,-0.5 2,-0.6 -0.725 7.9-157.4 -75.9 128.0 -18.5 -12.2 -8.8 70 70 A V E -DG 33 76B 19 -37,-3.1 -38,-2.5 -2,-0.4 -37,-1.6 -0.970 14.8-150.3-104.5 110.3 -17.6 -11.4 -5.2 71 71 A L E > -D 31 0B 1 4,-2.6 3,-1.8 -2,-0.6 -40,-0.2 -0.244 28.2-104.7 -75.5 169.3 -20.6 -12.2 -3.0 72 72 A S T 3 S+ 0 0 71 -42,-2.6 -41,-0.1 1,-0.3 -1,-0.1 0.722 122.4 56.2 -75.1 -20.8 -21.4 -10.3 0.2 73 73 A D T 3 S- 0 0 103 -43,-0.3 -1,-0.3 2,-0.1 -42,-0.1 0.303 122.7-106.0 -83.4 -0.1 -20.1 -13.3 2.2 74 74 A G S < S+ 0 0 47 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.154 71.9 142.6 97.0 -20.3 -16.7 -13.1 0.4 75 75 A R - 0 0 128 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 -0.398 40.4-146.2 -60.9 129.2 -17.2 -16.2 -1.9 76 76 A R E -G 70 0B 126 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.774 10.9-165.6 -96.4 133.6 -15.7 -15.6 -5.4 77 77 A I E -G 69 0B 31 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.3 -0.989 11.6-147.2-124.1 121.4 -17.4 -17.2 -8.5 78 78 A E E -G 68 0B 125 -2,-0.5 -76,-0.4 -10,-0.2 -10,-0.2 -0.638 1.9-145.3 -85.1 142.1 -15.4 -17.2 -11.8 79 79 A S - 0 0 5 -12,-2.7 -76,-0.2 -2,-0.3 3,-0.1 -0.588 38.5 -94.4 -83.5 161.2 -16.8 -17.0 -15.3 80 80 A P - 0 0 98 0, 0.0 -13,-0.4 0, 0.0 2,-0.3 -0.336 54.6 -88.9 -59.7 159.6 -15.0 -19.0 -18.0 81 81 A V - 0 0 70 -15,-0.1 -15,-0.2 -3,-0.1 -72,-0.1 -0.607 33.2-154.7 -75.5 135.6 -12.4 -17.0 -19.9 82 82 A T E - F 0 65B 14 -17,-3.4 -17,-2.6 -2,-0.3 2,-0.3 -0.912 12.9-159.8-111.3 99.4 -13.6 -15.0 -23.0 83 83 A P E + F 0 64B 53 0, 0.0 -73,-3.8 0, 0.0 -72,-0.4 -0.675 15.8 171.8 -80.9 132.8 -10.6 -14.6 -25.4 84 84 A V E - F 0 63B 4 -21,-2.1 -21,-2.5 -2,-0.3 2,-0.4 -0.927 21.7-139.0-131.1 164.9 -10.8 -11.8 -27.9 85 85 A L E -cF 12 62B 46 -74,-1.9 -72,-2.4 -2,-0.3 2,-0.5 -0.987 5.7-154.7-131.4 130.7 -8.2 -10.3 -30.4 86 86 A V E +cF 13 61B 2 -25,-2.6 -25,-1.9 -2,-0.4 2,-0.3 -0.935 22.4 178.1-108.4 123.9 -7.7 -6.6 -31.2 87 87 A K E -c 14 0B 77 -74,-3.1 -72,-2.3 -2,-0.5 3,-0.2 -0.830 42.9-111.0-124.3 167.4 -6.2 -5.9 -34.6 88 88 A V S S+ 0 0 117 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.886 104.3 1.9 -61.6 -45.0 -5.3 -2.9 -36.6 89 89 A I - 0 0 107 -75,-0.1 2,-0.6 -76,-0.1 -1,-0.3 -0.984 64.8-149.0-149.0 137.9 -8.1 -3.6 -39.1 90 90 A V 0 0 51 -2,-0.3 -76,-0.1 -3,-0.2 -4,-0.0 -0.942 360.0 360.0-111.0 116.7 -10.7 -6.3 -39.2 91 91 A L 0 0 198 -2,-0.6 -2,-0.0 0, 0.0 0, 0.0 -0.208 360.0 360.0 -68.3 360.0 -11.8 -7.4 -42.7