==== 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 25-OCT-10 3PE9 . COMPND 2 MOLECULE: FIBRONECTIN(III)-LIKE MODULE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.M.ALAHUHTA,V.V.LUNIN . 351 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 43.0 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.6 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 . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 1 3 4 6 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 4 0 2 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 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 0 126 0, 0.0 25,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.2 11.5 44.4 20.4 2 2 A V E -A 25 0A 16 76,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.954 360.0-164.8-137.4 147.6 12.4 46.8 23.4 3 3 A K E -A 24 0A 97 21,-2.2 21,-2.2 -2,-0.3 2,-0.6 -0.962 18.8-135.9-135.0 129.2 14.0 50.2 23.7 4 4 A L E +A 23 0A 24 -2,-0.3 19,-0.3 19,-0.2 77,-0.1 -0.655 24.7 175.6 -79.2 117.3 15.4 51.8 26.8 5 5 A T E + 0 0 77 17,-2.5 18,-0.2 -2,-0.6 -1,-0.2 0.628 51.3 60.2 -96.4 -18.4 14.2 55.4 26.8 6 6 A A E S+A 22 0A 31 16,-1.4 16,-2.4 1,-0.2 -1,-0.3 -0.927 75.4 39.6-163.9 145.8 15.6 56.6 30.2 7 7 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.519 65.8-143.3 -87.0 170.7 17.9 57.0 31.9 8 8 A K > - 0 0 157 -2,-0.1 3,-1.9 1,-0.1 74,-0.1 -0.574 30.0-106.7 -81.4 157.6 20.7 58.4 29.8 9 9 A S T 3 S+ 0 0 82 1,-0.3 76,-0.4 -2,-0.2 -1,-0.1 0.761 119.1 51.5 -61.1 -25.9 24.3 57.3 30.5 10 10 A N T 3 S+ 0 0 129 74,-0.1 -1,-0.3 2,-0.1 74,-0.1 0.147 78.9 146.4 -94.4 16.7 25.1 60.6 32.1 11 11 A V < - 0 0 37 -3,-1.9 2,-0.7 1,-0.1 74,-0.4 -0.238 50.0-127.1 -56.4 140.5 22.2 60.7 34.4 12 12 A V + 0 0 110 74,-0.1 2,-0.3 72,-0.1 -1,-0.1 -0.854 45.5 157.3 -88.9 110.8 22.8 62.4 37.8 13 13 A A E -c 86 0B 9 -2,-0.7 74,-3.2 72,-0.5 2,-0.3 -0.995 25.2-155.7-137.8 152.9 21.8 60.0 40.5 14 14 A Y E > -c 87 0B 43 -2,-0.3 3,-2.0 72,-0.2 44,-0.3 -0.894 34.4 -86.0-123.6 150.8 22.6 59.5 44.2 15 15 A G T 3 S+ 0 0 6 72,-2.1 75,-0.5 -2,-0.3 44,-0.2 -0.179 109.9 15.4 -55.2 142.7 22.5 56.5 46.5 16 16 A N T 3 S+ 0 0 64 42,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.475 101.2 108.3 63.9 14.7 19.2 55.8 48.2 17 17 A E S < S- 0 0 75 -3,-2.0 41,-2.7 41,-0.1 2,-0.4 -0.798 75.1-105.1-114.2 156.4 17.2 58.0 45.8 18 18 A F E - B 0 57A 39 -2,-0.3 2,-0.5 39,-0.2 39,-0.2 -0.625 27.6-161.5 -89.3 136.1 14.9 56.6 43.2 19 19 A L E - B 0 56A 17 37,-2.9 37,-2.4 -2,-0.4 2,-0.3 -0.966 15.6-134.0-112.8 131.2 15.9 56.5 39.6 20 20 A K E - B 0 55A 94 -2,-0.5 2,-0.5 35,-0.2 35,-0.2 -0.636 15.5-164.5 -85.6 128.6 13.2 56.0 36.9 21 21 A I E - B 0 54A 0 33,-3.2 33,-2.2 -2,-0.3 2,-0.3 -0.986 10.7-173.3-109.6 134.9 13.8 53.6 34.1 22 22 A T E +AB 6 53A 23 -16,-2.4 -17,-2.5 -2,-0.5 -16,-1.4 -0.924 5.9 174.3-128.9 151.4 11.5 53.8 31.1 23 23 A A E -AB 4 52A 5 29,-2.2 29,-0.8 -2,-0.3 2,-0.3 -0.999 21.8-144.7-150.9 146.9 11.1 51.7 28.0 24 24 A T E +A 3 0A 73 -21,-2.2 -21,-2.2 -2,-0.3 2,-0.3 -0.772 24.6 179.9-102.4 164.0 9.0 51.2 24.8 25 25 A A E +A 2 0A 22 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.981 7.0 160.9-160.7 148.0 8.2 47.8 23.5 26 26 A S - 0 0 57 -25,-2.0 2,-0.3 -2,-0.3 5,-0.1 -0.983 17.9-156.0-166.8 166.7 6.3 46.3 20.5 27 27 A D - 0 0 57 -2,-0.3 5,-0.1 3,-0.1 -2,-0.0 -0.890 11.4-157.8-160.7 115.7 5.9 43.2 18.4 28 28 A S S S+ 0 0 135 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.619 94.4 48.9 -73.7 -16.3 4.6 42.8 14.9 29 29 A D S S- 0 0 165 1,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.936 125.6 -36.8 -81.5 -63.2 3.7 39.0 15.3 30 30 A G S S- 0 0 35 1,-0.1 2,-0.2 -4,-0.0 -1,-0.2 -0.444 84.2 -37.0-143.0-146.2 1.7 39.2 18.6 31 31 A K - 0 0 148 -2,-0.2 41,-0.7 -3,-0.1 2,-0.5 -0.563 38.2-123.2-107.7 144.2 1.6 40.9 22.0 32 32 A I E -D 71 0B 30 -2,-0.2 39,-0.3 39,-0.2 3,-0.1 -0.693 23.3-172.9 -73.4 120.9 4.1 42.1 24.5 33 33 A S E - 0 0 17 37,-2.8 2,-0.3 -2,-0.5 38,-0.2 0.854 61.5 -27.6 -83.4 -37.3 3.3 40.4 27.8 34 34 A R E -D 70 0B 43 36,-1.3 36,-3.1 2,-0.0 2,-0.4 -0.979 47.3-128.5-167.8 164.8 5.7 42.4 30.0 35 35 A V E -DE 69 47B 0 12,-2.4 12,-2.4 -2,-0.3 2,-0.3 -0.998 25.1-151.4-122.8 123.4 8.9 44.3 30.1 36 36 A D E -DE 68 46B 5 32,-2.5 32,-1.8 -2,-0.4 2,-0.5 -0.750 6.1-144.5 -93.4 147.9 11.4 43.3 32.8 37 37 A F E -DE 67 45B 0 8,-2.8 7,-3.1 -2,-0.3 8,-1.3 -0.958 19.4-168.4-116.4 131.0 13.8 45.9 34.3 38 38 A L E -DE 66 43B 12 28,-3.1 28,-3.0 -2,-0.5 2,-0.4 -0.918 17.9-166.6-127.9 141.9 17.2 44.7 35.2 39 39 A V E > S-DE 65 42B 7 3,-2.5 3,-1.6 -2,-0.4 26,-0.2 -0.985 86.5 -10.7-124.3 124.8 20.2 46.2 37.1 40 40 A D T 3 S- 0 0 83 24,-3.0 25,-0.1 -2,-0.4 -1,-0.1 0.886 131.0 -56.0 51.2 40.7 23.5 44.4 36.8 41 41 A G T 3 S+ 0 0 37 23,-0.5 62,-0.6 1,-0.2 2,-0.5 0.477 114.2 117.9 79.1 -0.2 21.7 41.6 35.0 42 42 A E E < -E 39 0B 48 -3,-1.6 -3,-2.5 60,-0.1 2,-0.3 -0.879 69.1-119.4-106.1 130.8 19.3 41.0 37.9 43 43 A V E +E 38 0B 67 -2,-0.5 -5,-0.3 60,-0.3 3,-0.1 -0.492 29.7 177.8 -69.8 122.8 15.5 41.5 37.5 44 44 A I E - 0 0 36 -7,-3.1 2,-0.3 1,-0.4 -1,-0.2 0.584 62.0 -50.0 -99.7 -20.7 14.3 44.2 39.8 45 45 A G E -E 37 0B 12 -8,-1.3 -8,-2.8 266,-0.1 -1,-0.4 -0.975 51.1-112.9 166.6-179.2 10.8 44.1 38.6 46 46 A S E -E 36 0B 53 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.951 6.1-151.1-137.8 158.6 8.3 44.1 35.7 47 47 A D E -E 35 0B 18 -12,-2.4 -12,-2.4 -2,-0.3 5,-0.1 -0.998 4.5-172.6-132.7 133.4 5.6 46.2 34.1 48 48 A R + 0 0 143 -2,-0.4 2,-0.4 -14,-0.2 -1,-0.1 0.500 68.5 58.6 -98.6 -6.7 2.8 44.6 32.1 49 49 A E S S- 0 0 140 2,-0.1 4,-0.2 4,-0.1 -1,-0.1 -0.990 87.4 -89.0-132.8 128.5 1.2 47.8 30.8 50 50 A A S S+ 0 0 69 -2,-0.4 2,-0.1 2,-0.1 -26,-0.1 -0.391 104.6 60.8 -60.4 142.7 2.6 50.6 28.6 51 51 A P S S- 0 0 70 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.403 89.5-148.0 -78.1 136.9 3.9 53.1 29.2 52 52 A Y E +B 23 0A 21 -29,-0.8 -29,-2.2 -2,-0.1 2,-0.3 -0.575 32.3 153.6 -81.9 120.8 6.5 50.7 30.8 53 53 A E E +B 22 0A 38 -2,-0.4 2,-0.3 -4,-0.2 -31,-0.2 -0.990 19.8 179.4-147.3 152.9 8.2 52.3 33.8 54 54 A Y E -B 21 0A 25 -33,-2.2 -33,-3.2 -2,-0.3 2,-0.4 -0.987 19.6-138.7-150.8 150.0 10.0 51.3 37.0 55 55 A E E -B 20 0A 27 -2,-0.3 2,-0.5 266,-0.3 266,-0.3 -0.945 18.2-161.4-112.8 136.3 11.7 53.1 39.9 56 56 A W E -B 19 0A 27 -37,-2.4 -37,-2.9 -2,-0.4 2,-0.8 -0.982 24.1-125.6-118.9 128.2 14.9 51.7 41.3 57 57 A K E -B 18 0A 28 -2,-0.5 -39,-0.2 -39,-0.2 -42,-0.1 -0.624 44.3-127.2 -67.5 105.6 16.3 52.5 44.7 58 58 A A - 0 0 0 -41,-2.7 -42,-2.8 -2,-0.8 2,-0.4 -0.277 22.1-159.1 -73.0 145.1 19.8 53.6 43.4 59 59 A V - 0 0 79 -44,-0.2 27,-0.3 -43,-0.1 29,-0.1 -0.979 31.9 -97.9-122.7 134.9 23.0 52.1 44.9 60 60 A E S S+ 0 0 108 -2,-0.4 27,-0.2 25,-0.1 2,-0.2 -0.040 79.1 28.4 -52.9 155.0 26.3 53.9 44.5 61 61 A G E S- F 0 86B 22 25,-2.8 25,-2.8 2,-0.1 2,-0.3 -0.495 99.9 -16.0 94.5-167.2 28.8 53.1 41.9 62 62 A N E + F 0 85B 125 23,-0.2 2,-0.3 -2,-0.2 23,-0.2 -0.610 63.6 166.7 -75.4 132.4 28.8 51.7 38.3 63 63 A H E - F 0 84B 25 21,-2.4 21,-3.0 -2,-0.3 2,-0.6 -0.996 30.6-140.8-146.3 149.1 25.7 49.9 37.2 64 64 A E E - F 0 83B 71 -2,-0.3 -24,-3.0 19,-0.2 -23,-0.5 -0.959 18.4-161.1-105.5 123.7 24.2 48.6 34.0 65 65 A I E +DF 39 82B 0 17,-2.3 17,-2.4 -2,-0.6 2,-0.3 -0.821 17.1 175.0-101.6 132.4 20.5 49.1 33.6 66 66 A S E -DF 38 81B 11 -28,-3.0 -28,-3.1 -2,-0.4 2,-0.3 -0.942 21.9-152.6-137.2 163.7 18.6 47.0 31.1 67 67 A V E -DF 37 80B 0 13,-2.4 13,-1.8 -2,-0.3 2,-0.4 -0.963 8.0-169.9-129.8 142.4 15.2 46.2 29.8 68 68 A I E -D 36 0B 19 -32,-1.8 -32,-2.5 -2,-0.3 2,-0.3 -0.988 14.0-145.2-130.7 123.8 13.9 42.9 28.1 69 69 A A E -D 35 0B 4 -2,-0.4 8,-2.6 9,-0.3 2,-0.4 -0.746 12.1-155.8 -86.1 143.7 10.5 42.6 26.4 70 70 A Y E -DG 34 76B 30 -36,-3.1 -37,-2.8 -2,-0.3 -36,-1.3 -0.959 6.4-146.9-119.9 134.5 8.7 39.3 26.7 71 71 A D E > -D 32 0B 39 4,-1.8 3,-1.9 -2,-0.4 -39,-0.2 -0.150 41.7 -81.5 -85.2-172.2 6.0 38.1 24.1 72 72 A D T 3 S+ 0 0 89 -41,-0.7 -40,-0.1 1,-0.3 -1,-0.0 0.708 131.6 55.5 -69.5 -16.9 2.9 36.0 24.7 73 73 A D T 3 S- 0 0 114 2,-0.1 -1,-0.3 42,-0.0 3,-0.1 0.316 118.3-114.4 -91.3 9.1 5.1 32.8 24.5 74 74 A D < + 0 0 36 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.836 66.4 152.0 58.4 36.1 7.2 34.3 27.4 75 75 A A - 0 0 29 1,-0.0 -4,-1.8 22,-0.0 -1,-0.2 -0.838 41.7-118.4 -97.4 137.1 10.1 34.5 24.9 76 76 A A B -G 70 0B 38 -2,-0.4 -6,-0.2 20,-0.2 2,-0.1 -0.490 13.0-140.3 -84.1 136.7 12.8 37.2 25.5 77 77 A S - 0 0 26 -8,-2.6 -1,-0.1 -2,-0.2 3,-0.1 -0.404 43.6 -86.3 -69.6 155.3 13.9 40.1 23.2 78 78 A T - 0 0 125 -2,-0.1 -9,-0.3 1,-0.1 -76,-0.3 -0.522 61.1-106.8 -50.2 134.6 17.5 41.1 22.9 79 79 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.379 20.5-145.2 -68.9 150.3 18.1 43.5 25.9 80 80 A D E + F 0 67B 59 -13,-1.8 -13,-2.4 -2,-0.1 2,-0.3 -0.939 31.2 177.9-104.6 137.4 18.5 47.2 25.6 81 81 A S E - F 0 66B 53 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.940 23.2-166.1-137.9 164.4 20.9 48.6 28.2 82 82 A V E - F 0 65B 22 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.5 -0.984 19.9-133.0-145.3 145.6 22.7 51.7 29.5 83 83 A K E + F 0 64B 142 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.936 31.7 171.4-101.8 135.6 25.7 52.2 31.8 84 84 A I E - F 0 63B 5 -21,-3.0 -21,-2.4 -2,-0.5 2,-0.4 -0.838 27.5-136.0-131.6 170.0 25.4 54.7 34.6 85 85 A F E - F 0 62B 116 -74,-0.4 -72,-0.5 -76,-0.4 2,-0.5 -0.990 15.5-154.3-131.0 128.0 27.3 55.9 37.7 86 86 A V E -cF 13 61B 1 -25,-2.8 -25,-2.8 -2,-0.4 -72,-0.2 -0.826 16.9-133.8-104.8 126.8 25.4 56.5 40.9 87 87 A K E -c 14 0B 97 -74,-3.2 -72,-2.1 -2,-0.5 3,-0.1 -0.206 35.5 -78.3 -73.1 168.4 27.0 59.0 43.3 88 88 A Q - 0 0 150 -74,-0.2 -1,-0.1 1,-0.1 -29,-0.0 -0.363 60.9 -88.3 -62.5 143.4 27.4 58.5 47.0 89 89 A A 0 0 46 -75,-0.2 -1,-0.1 1,-0.1 -73,-0.1 -0.227 360.0 360.0 -50.0 138.4 24.3 59.1 49.1 90 90 A R 0 0 199 -75,-0.5 -1,-0.1 -3,-0.1 -76,-0.0 -0.625 360.0 360.0 -78.0 360.0 24.0 62.8 50.1 91 !* 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 92 1 B M 0 0 136 0, 0.0 25,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 115.3 9.7 18.9 21.4 93 2 B V E -H 116 0C 16 23,-0.3 2,-0.4 73,-0.2 23,-0.3 -0.995 360.0-165.5-149.6 131.6 10.5 21.2 24.3 94 3 B K E -H 115 0C 93 21,-2.6 21,-2.0 -2,-0.3 2,-0.4 -0.987 22.2-129.6-125.2 136.0 12.5 24.4 24.6 95 4 B L E +H 114 0C 24 -2,-0.4 19,-0.3 19,-0.2 74,-0.1 -0.676 24.6 178.6 -77.4 126.9 13.7 25.9 27.8 96 5 B T E + 0 0 14 17,-2.6 -20,-0.2 -2,-0.4 18,-0.2 0.538 55.8 62.8-101.3 -16.8 12.7 29.7 27.7 97 6 B A E S+H 113 0C 27 16,-1.5 16,-2.3 1,-0.2 -1,-0.4 -0.947 78.3 39.5-163.2 143.8 14.1 30.6 31.2 98 7 B P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.604 67.4-150.7 -78.5 163.6 16.5 30.7 32.8 99 8 B K > - 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