==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 26-APR-10 3MPC . COMPND 2 MOLECULE: FN3-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR M.P.ALAHUHTA,Q.XU,R.BRUNECKY,V.V.LUNIN . 192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 2 1.0 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 . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.7 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 . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A S 0 0 174 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.0 29.5 28.8 -12.8 2 4 A A - 0 0 69 1,-0.1 3,-0.1 79,-0.0 79,-0.1 -0.554 360.0-112.8 -55.3 135.3 28.6 31.0 -9.8 3 5 A P - 0 0 57 0, 0.0 79,-0.3 0, 0.0 2,-0.1 -0.298 43.6 -87.8 -59.7 154.8 30.7 34.3 -10.0 4 6 A A - 0 0 43 24,-0.5 77,-0.1 77,-0.1 23,-0.1 -0.476 48.5-156.5 -67.3 151.9 33.2 34.6 -7.2 5 7 A F - 0 0 39 -2,-0.1 78,-0.1 21,-0.1 68,-0.1 -0.734 25.5 -83.5-130.2 153.8 31.9 36.3 -4.0 6 8 A P + 0 0 0 0, 0.0 79,-0.3 0, 0.0 2,-0.3 -0.367 48.8 177.6 -59.3 146.6 33.5 38.1 -1.2 7 9 A T E +A 25 0A 29 18,-0.9 18,-2.9 77,-0.2 77,-0.1 -0.855 49.0 47.1-140.4 174.7 35.0 36.2 1.7 8 10 A G E - 0 0 45 -2,-0.3 2,-0.2 16,-0.2 -1,-0.1 0.819 66.9-177.9 62.3 28.2 36.8 36.7 4.8 9 11 A L E - 0 0 21 76,-0.3 2,-0.4 15,-0.1 15,-0.2 -0.460 5.6-174.9 -64.7 132.2 34.6 39.5 6.1 10 12 A S E -A 23 0A 51 13,-2.2 13,-1.7 -2,-0.2 2,-0.5 -0.993 8.6-167.2-124.7 132.4 35.6 41.1 9.4 11 13 A A E +A 22 0A 2 77,-0.4 79,-1.7 -2,-0.4 2,-0.5 -0.975 16.7 174.1-126.0 107.1 33.5 43.7 11.3 12 14 A V E -Ab 21 90A 39 9,-2.4 9,-2.9 -2,-0.5 79,-0.2 -0.978 23.3-133.9-121.1 129.5 35.4 45.4 14.1 13 15 A L E -A 20 0A 19 77,-2.9 7,-0.2 -2,-0.5 2,-0.1 -0.348 24.9-113.1 -67.4 152.6 34.3 48.4 16.3 14 16 A D > - 0 0 48 5,-1.8 3,-1.9 77,-0.1 -1,-0.1 -0.288 44.5 -92.8 -71.8 171.4 36.5 51.3 17.0 15 17 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.719 126.7 52.1 -70.1 -17.9 37.6 51.5 20.7 16 18 A S T 3 S- 0 0 77 3,-0.1 -1,-0.3 75,-0.0 75,-0.0 0.441 108.5-121.2 -90.7 3.3 34.6 53.8 21.5 17 19 A G S < S+ 0 0 1 -3,-1.9 48,-0.3 2,-0.2 -2,-0.1 0.721 80.4 118.4 69.9 17.5 32.1 51.5 20.0 18 20 A N + 0 0 85 1,-0.1 2,-0.3 46,-0.1 44,-0.2 0.783 68.1 26.7 -91.0 -37.4 31.0 54.3 17.6 19 21 A T - 0 0 18 42,-0.1 -5,-1.8 44,-0.0 2,-0.5 -0.959 65.9-132.9-128.9 154.0 31.7 52.8 14.2 20 22 A A E -AC 13 59A 0 39,-2.4 39,-3.3 -2,-0.3 2,-0.7 -0.939 19.7-156.1-107.1 122.3 32.0 49.4 12.5 21 23 A N E -AC 12 58A 53 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.3 -0.894 12.5-166.4-108.1 111.0 35.0 48.9 10.4 22 24 A L E +AC 11 57A 2 35,-3.2 35,-1.9 -2,-0.7 2,-0.3 -0.809 11.7 173.6 -99.8 143.5 34.6 46.2 7.7 23 25 A T E +AC 10 56A 72 -13,-1.7 -13,-2.2 -2,-0.3 2,-0.3 -0.982 6.4 169.4-144.1 145.0 37.2 44.6 5.6 24 26 A W E - 0 0 11 31,-1.9 2,-0.4 -2,-0.3 -16,-0.2 -0.947 37.8 -91.4-149.7 163.0 36.9 41.7 3.2 25 27 A N E -A 7 0A 88 -18,-2.9 -18,-0.9 -2,-0.3 -16,-0.1 -0.704 50.7-105.0 -74.1 133.2 38.8 39.8 0.5 26 28 A A - 0 0 63 -2,-0.4 -1,-0.1 -20,-0.1 -21,-0.1 -0.136 25.4-132.1 -57.9 141.9 38.3 41.0 -3.1 27 29 A A > - 0 0 4 -23,-0.1 3,-2.5 -21,-0.1 -1,-0.1 -0.938 21.7-123.4 -97.9 112.8 36.1 39.0 -5.4 28 30 A P T 3 S+ 0 0 103 0, 0.0 -24,-0.5 0, 0.0 48,-0.0 -0.374 101.3 31.6 -50.5 136.8 37.7 38.3 -8.8 29 31 A G T 3 S+ 0 0 58 1,-0.3 48,-0.3 -26,-0.1 2,-0.1 0.089 90.4 136.8 96.2 -19.3 35.2 39.8 -11.3 30 32 A A < + 0 0 29 -3,-2.5 -1,-0.3 46,-0.2 46,-0.2 -0.341 32.4 175.3 -69.6 143.3 33.9 42.5 -9.1 31 33 A N S S- 0 0 107 44,-3.0 2,-0.3 1,-0.4 45,-0.2 0.620 76.5 -15.9-102.7 -29.3 33.2 46.1 -10.1 32 34 A S E -D 75 0B 13 43,-1.4 43,-2.7 2,-0.0 -1,-0.4 -0.930 64.5-119.0-163.2 179.4 31.8 47.1 -6.7 33 35 A Y E -DE 74 52B 14 19,-1.9 19,-2.2 -2,-0.3 2,-0.4 -0.952 6.7-143.4-134.3 150.2 30.4 45.7 -3.5 34 36 A N E -D 73 0B 13 39,-2.3 39,-2.4 -2,-0.3 2,-0.4 -0.964 16.0-151.4-111.5 127.2 27.1 45.9 -1.4 35 37 A V E -DE 72 49B 0 14,-2.2 13,-3.1 -2,-0.4 14,-1.6 -0.863 18.0-175.9-100.4 131.5 27.3 46.0 2.3 36 38 A K E -DE 71 47B 25 35,-2.7 35,-1.9 -2,-0.4 2,-0.3 -0.941 3.8-168.2-135.1 153.5 24.4 44.5 4.3 37 39 A R E -DE 70 46B 54 9,-2.5 9,-3.2 -2,-0.3 2,-0.3 -0.953 7.9-175.5-147.6 149.2 23.5 44.3 8.0 38 40 A S E -D 69 0B 10 31,-2.2 31,-2.5 -2,-0.3 7,-0.1 -0.975 28.2-140.5-141.9 149.9 21.2 42.6 10.4 39 41 A T S S+ 0 0 98 -2,-0.3 2,-0.4 29,-0.2 28,-0.1 0.493 93.1 55.7 -87.6 -3.1 20.5 42.9 14.2 40 42 A K S > S- 0 0 120 4,-0.2 3,-1.7 29,-0.1 2,-0.1 -0.972 96.6-101.0-130.1 145.8 20.1 39.1 14.2 41 43 A S T 3 S+ 0 0 53 -2,-0.4 -2,-0.1 1,-0.2 47,-0.0 -0.429 106.1 20.4 -60.4 132.1 22.4 36.3 13.2 42 44 A G T 3 S- 0 0 48 -2,-0.1 -1,-0.2 -4,-0.1 3,-0.2 0.219 100.3-162.9 93.4 -3.7 21.5 34.9 9.8 43 45 A G < - 0 0 6 -3,-1.7 2,-0.2 1,-0.3 -5,-0.1 -0.460 50.7-127.9 75.0-162.0 19.4 37.8 8.5 44 46 A P - 0 0 111 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.500 60.7-140.5 -59.9 148.7 17.4 38.7 6.6 45 47 A Y - 0 0 61 -3,-0.2 2,-0.5 -2,-0.2 -7,-0.2 -0.614 9.1-142.0 -96.0 148.9 19.9 41.5 5.8 46 48 A T E -E 37 0B 93 -9,-3.2 -9,-2.5 -2,-0.2 2,-0.3 -0.935 24.5-120.8-105.5 127.0 19.3 45.1 5.1 47 49 A T E +E 36 0B 77 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.1 -0.571 33.8 172.0 -68.1 128.8 21.5 46.8 2.5 48 50 A I E + 0 0 46 -13,-3.1 2,-0.3 1,-0.3 -12,-0.2 0.603 63.3 16.4-107.2 -20.3 23.3 49.7 4.0 49 51 A A E -E 35 0B 12 -14,-1.6 -14,-2.2 10,-0.0 -1,-0.3 -0.992 59.0-173.3-152.7 145.0 25.7 50.7 1.2 50 52 A T E + 0 0 93 -2,-0.3 -16,-0.2 -16,-0.2 3,-0.1 -0.836 64.5 35.0-130.9 165.8 26.0 50.1 -2.6 51 53 A N E + 0 0 117 -2,-0.3 2,-0.5 1,-0.2 -17,-0.2 0.837 69.1 163.7 57.3 39.6 28.6 50.9 -5.2 52 54 A I E -E 33 0B 30 -19,-2.2 -19,-1.9 1,-0.1 -1,-0.2 -0.747 18.1-174.7 -87.7 124.4 31.5 50.5 -2.9 53 55 A T + 0 0 103 -2,-0.5 2,-0.3 -21,-0.2 -1,-0.1 0.467 59.4 67.9-109.0 0.3 34.6 50.1 -4.9 54 56 A S S S- 0 0 65 2,-0.3 -21,-0.1 -21,-0.1 -2,-0.0 -0.727 86.6-114.6-103.6 169.6 37.1 49.3 -2.1 55 57 A T S S+ 0 0 51 -2,-0.3 -31,-1.9 -31,-0.0 2,-0.3 -0.051 93.6 60.9 -95.8 38.5 37.4 46.2 0.1 56 58 A N E -C 23 0A 82 -33,-0.2 2,-0.3 2,-0.0 -2,-0.3 -0.986 56.4-178.8-158.1 156.3 36.5 48.1 3.2 57 59 A Y E -C 22 0A 64 -35,-1.9 -35,-3.2 -2,-0.3 2,-0.5 -0.962 20.1-140.0-157.9 140.6 33.7 50.1 4.6 58 60 A T E -C 21 0A 62 -2,-0.3 2,-0.9 -37,-0.2 -37,-0.2 -0.953 13.0-157.1-104.9 119.7 32.9 52.1 7.8 59 61 A D E > +C 20 0A 8 -39,-3.3 -39,-2.4 -2,-0.5 3,-0.5 -0.879 16.7 173.4 -95.1 98.8 29.4 51.7 9.0 60 62 A T T 3 + 0 0 100 -2,-0.9 -1,-0.1 -41,-0.2 -39,-0.0 0.481 62.8 79.8 -87.4 -2.0 28.8 54.8 11.2 61 63 A G T 3 + 0 0 48 -41,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.344 60.6 119.3 -86.1 3.9 25.1 54.0 11.7 62 64 A V < - 0 0 9 -3,-0.5 2,-0.5 -44,-0.2 6,-0.0 -0.452 69.6-116.5 -70.5 143.9 25.4 51.4 14.4 63 65 A A > - 0 0 49 -2,-0.1 3,-1.9 4,-0.1 -1,-0.1 -0.673 40.0-109.2 -70.3 131.0 23.7 52.1 17.8 64 66 A T T 3 S+ 0 0 86 -2,-0.5 -46,-0.1 1,-0.2 -47,-0.1 -0.374 104.2 23.2 -64.5 133.4 26.5 52.2 20.3 65 67 A G T 3 S+ 0 0 65 -48,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.329 96.7 115.9 95.5 -1.3 26.2 49.0 22.4 66 68 A T < - 0 0 65 -3,-1.9 -1,-0.2 1,-0.0 2,-0.2 -0.798 62.7-124.0-112.7 136.5 24.3 46.8 20.0 67 69 A K + 0 0 134 -2,-0.4 2,-0.3 -28,-0.1 -4,-0.1 -0.547 33.4 179.1 -70.8 138.1 25.3 43.6 18.3 68 70 A Y - 0 0 19 -2,-0.2 21,-2.7 21,-0.1 2,-0.4 -0.954 17.5-148.3-136.6 162.8 25.1 43.5 14.4 69 71 A Y E -DF 38 88B 22 -31,-2.5 -31,-2.2 -2,-0.3 2,-0.3 -0.983 18.2-164.5-133.7 139.3 25.9 41.0 11.8 70 72 A Y E -DF 37 87B 0 17,-2.7 17,-2.4 -2,-0.4 2,-0.3 -0.883 15.5-179.0-131.3 152.9 27.1 41.8 8.3 71 73 A V E -D 36 0B 3 -35,-1.9 -35,-2.7 -2,-0.3 2,-0.4 -0.966 13.1-153.5-137.9 156.6 27.5 40.3 4.9 72 74 A V E -D 35 0B 0 -2,-0.3 12,-3.0 13,-0.3 2,-0.3 -0.992 8.5-170.0-129.8 141.5 29.0 41.7 1.7 73 75 A S E -D 34 0B 0 -39,-2.4 -39,-2.3 -2,-0.4 2,-0.3 -0.786 15.5-129.9-121.6 164.7 28.3 40.8 -1.9 74 76 A A E -D 33 0B 0 8,-0.5 7,-2.8 -2,-0.3 2,-0.5 -0.779 4.3-142.5-108.6 158.6 29.9 41.8 -5.2 75 77 A V E -DG 32 80B 29 -43,-2.7 -44,-3.0 -2,-0.3 -43,-1.4 -0.994 22.9-174.0-120.0 123.6 28.5 43.2 -8.3 76 78 A S E > S- G 0 79B 12 3,-2.9 3,-1.6 -2,-0.5 -46,-0.2 -0.965 70.6 -24.8-132.6 105.1 30.3 41.7 -11.3 77 79 A N T 3 S- 0 0 148 -2,-0.5 -1,-0.2 -48,-0.3 3,-0.1 0.929 129.0 -50.3 49.8 46.3 29.5 43.0 -14.8 78 80 A G T 3 S+ 0 0 68 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.401 115.6 116.3 81.8 -2.2 26.1 43.9 -13.4 79 81 A V E < -G 76 0B 80 -3,-1.6 -3,-2.9 0, 0.0 2,-0.4 -0.854 61.5-136.8-103.3 121.4 25.4 40.5 -11.8 80 82 A E E -G 75 0B 92 -2,-0.6 -5,-0.2 -5,-0.3 3,-0.1 -0.648 23.5-146.8 -78.2 131.7 25.1 40.5 -7.9 81 83 A T - 0 0 11 -7,-2.8 -77,-0.1 -2,-0.4 -76,-0.1 -0.223 30.8 -69.6 -83.5 174.4 27.0 37.6 -6.4 82 84 A L - 0 0 96 -79,-0.3 -8,-0.5 1,-0.1 2,-0.3 -0.251 58.3-102.1 -50.3 150.7 26.2 35.5 -3.3 83 85 A N - 0 0 50 -10,-0.2 -10,-0.2 1,-0.1 -1,-0.1 -0.631 40.7-107.5 -72.0 144.4 26.7 37.3 0.0 84 86 A S - 0 0 4 -12,-3.0 -77,-0.2 -2,-0.3 -1,-0.1 -0.108 47.4 -76.2 -52.3 163.0 29.8 36.5 1.9 85 87 A A - 0 0 24 63,-0.6 -76,-0.3 -79,-0.3 -13,-0.3 -0.301 67.9 -89.3 -53.8 147.8 29.8 34.4 5.0 86 88 A E - 0 0 36 61,-0.4 2,-0.4 -15,-0.1 -15,-0.2 -0.354 34.4-151.6 -69.2 145.4 28.5 36.4 7.9 87 89 A A E -F 70 0B 7 -17,-2.4 -17,-2.7 -3,-0.1 2,-0.5 -0.970 11.5-138.8-113.6 136.9 30.7 38.5 10.2 88 90 A I E -F 69 0B 23 -2,-0.4 -77,-0.4 -19,-0.2 -19,-0.2 -0.821 26.2-116.2 -95.8 122.4 29.7 39.2 13.8 89 91 A L + 0 0 17 -21,-2.7 2,-0.3 -2,-0.5 -77,-0.2 -0.412 47.6 169.1 -58.1 131.6 30.4 42.8 14.9 90 92 A Q B -b 12 0A 105 -79,-1.7 -77,-2.9 -2,-0.1 3,-0.1 -0.976 37.4-106.8-143.7 151.2 33.0 42.8 17.7 91 93 A Y - 0 0 127 -2,-0.3 -77,-0.1 -79,-0.2 -76,-0.1 -0.378 52.8 -91.5 -67.6 159.5 35.2 45.1 19.7 92 94 A P - 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