==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 26-OCT-00 1G43 . COMPND 2 MOLECULE: SCAFFOLDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR L.J.W.SHIMON,S.PAGES,A.BELAICH,J.-P.BELAICH,E.A.BAYER,R.LAME . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 41.9 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 . 3 1.9 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 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 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+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 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 . 1 2 0 3 1 1 0 2 1 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 . 2 0 0 1 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 A 0 0 136 0, 0.0 2,-0.2 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0 20.8 20.0 6.7 75.9 2 2 A G - 0 0 39 155,-0.2 153,-0.3 1,-0.1 154,-0.1 -0.554 360.0-137.6 -80.5 142.1 23.1 8.3 74.5 3 3 A T - 0 0 79 151,-2.0 152,-0.2 -2,-0.2 153,-0.1 0.635 25.3-134.5 -74.0 -19.1 23.8 11.9 75.3 4 4 A G + 0 0 41 151,-2.5 152,-0.1 2,-0.2 151,-0.1 0.779 62.7 134.3 70.1 23.5 25.0 13.0 71.8 5 5 A V S S+ 0 0 37 150,-0.2 26,-1.6 1,-0.2 27,-1.1 0.726 79.7 18.7 -73.8 -24.1 28.0 14.9 73.2 6 6 A V E S-A 30 0A 5 149,-0.5 2,-0.4 24,-0.2 24,-0.2 -0.971 70.6-141.5-144.0 157.1 29.9 13.1 70.5 7 7 A S E -A 29 0A 49 22,-2.4 22,-3.1 -2,-0.3 2,-0.4 -0.906 23.9-155.9-114.5 147.2 29.2 11.3 67.2 8 8 A V E -A 28 0A 0 -2,-0.4 135,-0.5 20,-0.2 2,-0.3 -0.980 12.5-168.8-135.8 136.6 31.1 8.2 66.3 9 9 A Q E -A 27 0A 77 18,-2.3 18,-2.1 -2,-0.4 2,-0.3 -0.861 13.6-162.9-114.8 155.3 32.1 6.3 63.1 10 10 A F E +AB 26 141A 0 131,-2.6 131,-1.7 -2,-0.3 2,-0.3 -0.913 16.6 161.2-138.3 158.5 33.6 2.9 62.9 11 11 A N E -A 25 0A 10 14,-1.1 14,-1.8 -2,-0.3 127,-0.2 -0.931 20.1-166.6-168.6 152.3 35.5 0.5 60.5 12 12 A N > - 0 0 2 125,-2.8 3,-0.6 -2,-0.3 11,-0.2 -0.057 58.1-101.0-135.3 31.1 37.6 -2.6 60.7 13 13 A G T 3 S- 0 0 41 124,-0.4 125,-0.3 1,-0.2 123,-0.1 0.868 71.5 -73.7 50.3 36.1 39.1 -2.7 57.2 14 14 A S T 3 S- 0 0 68 123,-2.0 -1,-0.2 121,-0.2 124,-0.1 0.903 70.9-161.3 42.1 62.9 36.5 -5.4 56.5 15 15 A S < - 0 0 7 -3,-0.6 -1,-0.1 122,-0.2 4,-0.1 -0.396 22.5 -99.6 -71.8 149.7 38.3 -8.1 58.5 16 16 A P - 0 0 84 0, 0.0 112,-0.2 0, 0.0 -1,-0.1 -0.397 28.1-115.9 -69.9 145.9 37.4 -11.8 57.8 17 17 A A S S+ 0 0 46 1,-0.2 111,-3.5 111,-0.1 2,-0.7 0.842 111.8 49.5 -50.2 -39.8 35.0 -13.5 60.2 18 18 A S E S+F 127 0B 70 109,-0.2 2,-0.3 110,-0.1 109,-0.2 -0.914 83.1 143.3-104.9 114.2 37.8 -15.9 61.2 19 19 A S E -F 126 0B 14 107,-0.9 107,-3.3 -2,-0.7 -4,-0.0 -0.995 54.5-140.2-152.0 149.7 40.8 -13.8 62.0 20 20 A N S S+ 0 0 59 -2,-0.3 100,-0.5 105,-0.3 2,-0.3 0.330 93.3 54.3 -93.4 7.8 43.7 -13.8 64.4 21 21 A S - 0 0 5 98,-0.1 2,-0.5 105,-0.1 98,-0.2 -0.997 67.8-153.4-137.4 140.6 43.4 -10.0 64.8 22 22 A I E - C 0 118A 0 96,-2.5 96,-1.8 -2,-0.3 2,-0.3 -0.972 16.6-158.3-114.0 125.0 40.4 -7.9 65.7 23 23 A Y E + C 0 117A 63 -2,-0.5 2,-0.3 94,-0.2 94,-0.2 -0.825 13.2 178.3-103.1 148.6 40.6 -4.4 64.3 24 24 A A E + C 0 116A 0 92,-2.7 92,-2.0 -2,-0.3 2,-0.4 -0.865 4.4 176.0-150.2 108.1 38.6 -1.5 65.8 25 25 A R E -AC 11 115A 54 -14,-1.8 -14,-1.1 -2,-0.3 2,-0.4 -0.965 6.4-170.1-121.5 133.2 38.9 2.0 64.4 26 26 A F E -AC 10 114A 0 88,-2.6 88,-2.9 -2,-0.4 2,-0.6 -0.940 20.1-162.8-125.7 143.0 36.9 5.0 65.5 27 27 A K E -AC 9 113A 60 -18,-2.1 -18,-2.3 -2,-0.4 2,-0.5 -0.963 24.5-166.0-119.3 105.3 36.5 8.5 64.2 28 28 A V E -AC 8 112A 0 84,-2.8 84,-2.5 -2,-0.6 2,-0.5 -0.848 2.6-161.1 -99.8 126.5 35.0 10.4 67.2 29 29 A T E -AC 7 111A 36 -22,-3.1 -22,-2.4 -2,-0.5 2,-0.9 -0.935 17.6-133.5-113.8 127.8 33.5 13.9 66.7 30 30 A N E +A 6 0A 0 80,-2.9 79,-1.8 -2,-0.5 -24,-0.2 -0.655 36.8 160.4 -76.6 105.2 32.9 16.4 69.4 31 31 A T + 0 0 75 -26,-1.6 -25,-0.2 -2,-0.9 -1,-0.2 0.195 43.5 98.6-111.8 11.5 29.3 17.5 68.8 32 32 A S S S- 0 0 24 -27,-1.1 77,-0.4 2,-0.2 2,-0.4 -0.443 91.6-107.0 -84.0 173.8 28.7 18.9 72.2 33 33 A G S S+ 0 0 80 -2,-0.1 75,-0.1 75,-0.1 -2,-0.1 -0.258 91.4 42.8-101.7 50.7 29.2 22.7 72.2 34 34 A S S S- 0 0 62 -2,-0.4 -2,-0.2 72,-0.1 75,-0.2 -0.870 94.3 -68.7 179.6 151.4 32.6 22.8 74.1 35 35 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.059 44.2-146.9 -45.3 154.2 36.0 21.2 74.3 36 36 A I E -G 106 0C 16 70,-1.9 70,-3.7 -4,-0.1 2,-0.9 -0.999 13.8-123.6-133.2 134.0 36.2 17.7 75.7 37 37 A N E > -G 105 0C 63 -2,-0.4 3,-3.8 68,-0.2 4,-0.5 -0.668 13.8-147.2 -78.6 106.3 39.0 16.3 77.7 38 38 A L G > S+ 0 0 0 66,-1.4 3,-1.2 -2,-0.9 61,-0.4 0.751 96.9 72.4 -45.3 -23.9 40.2 13.2 75.9 39 39 A A G 3 S+ 0 0 24 65,-0.5 -1,-0.3 1,-0.3 60,-0.2 0.829 96.8 49.9 -60.6 -30.1 40.9 11.8 79.4 40 40 A D G < S+ 0 0 76 -3,-3.8 111,-2.0 61,-0.1 2,-0.6 0.493 89.3 99.7 -86.3 -7.5 37.1 11.5 79.9 41 41 A L E < +H 150 0D 2 -3,-1.2 58,-0.4 -4,-0.5 2,-0.3 -0.747 46.4 175.7 -91.4 117.5 36.5 9.7 76.6 42 42 A K E -H 149 0D 60 107,-2.7 107,-2.4 -2,-0.6 2,-0.4 -0.894 10.0-163.3-115.4 149.1 36.1 5.9 76.8 43 43 A L E -HI 148 97D 0 54,-2.0 54,-3.1 -2,-0.3 2,-0.4 -0.984 6.0-158.8-130.8 141.9 35.3 3.6 73.9 44 44 A R E -HI 147 96D 51 103,-2.7 103,-1.7 -2,-0.4 2,-0.4 -0.970 11.3-171.7-128.3 143.0 34.0 -0.0 74.1 45 45 A Y E - I 0 95D 0 50,-2.0 50,-2.8 -2,-0.4 2,-0.3 -0.951 18.5-148.5-132.8 112.0 34.0 -3.0 71.7 46 46 A Y E + I 0 94D 10 99,-0.5 87,-2.6 -2,-0.4 2,-0.3 -0.618 28.2 149.0 -88.9 135.2 32.0 -6.1 72.7 47 47 A Y E - I 0 93D 0 46,-2.3 46,-1.9 -2,-0.3 45,-1.7 -0.929 46.8-102.4-152.3 172.9 33.0 -9.6 71.7 48 48 A T - 0 0 12 -2,-0.3 79,-0.3 79,-0.2 82,-0.1 -0.929 24.8-147.4-106.4 123.5 33.0 -13.3 72.6 49 49 A Q - 0 0 31 -2,-0.6 2,-2.2 1,-0.2 4,-0.1 0.812 13.8-168.7 -56.2 -36.7 36.4 -14.5 73.8 50 50 A D S S+ 0 0 70 80,-0.1 2,-0.3 76,-0.1 -1,-0.2 -0.075 73.7 25.2 66.4 -39.4 36.0 -18.0 72.3 51 51 A A S S- 0 0 33 -2,-2.2 2,-1.4 2,-0.1 0, 0.0 -0.989 83.5-118.2-148.4 150.7 39.1 -19.0 74.3 52 52 A D + 0 0 142 -2,-0.3 -2,-0.1 2,-0.0 -3,-0.0 -0.655 59.5 141.2 -92.6 83.0 40.7 -17.7 77.5 53 53 A K - 0 0 70 -2,-1.4 -2,-0.1 -4,-0.1 2,-0.0 -0.909 59.2 -91.4-126.0 153.9 44.1 -16.5 76.3 54 54 A P - 0 0 85 0, 0.0 67,-2.2 0, 0.0 68,-0.3 -0.363 46.5-152.2 -59.8 135.6 46.4 -13.6 77.0 55 55 A L E -D 120 0A 38 65,-0.2 2,-0.4 66,-0.1 65,-0.2 -0.771 7.2-146.3-112.7 154.9 45.7 -10.7 74.5 56 56 A T E -D 119 0A 49 63,-2.9 63,-1.8 -2,-0.3 2,-0.4 -0.991 12.3-151.6-122.9 130.1 47.9 -7.9 73.2 57 57 A F E -D 118 0A 41 -2,-0.4 2,-0.3 61,-0.2 61,-0.2 -0.810 12.8-175.9-100.5 143.6 46.5 -4.5 72.4 58 58 A W E -D 117 0A 78 59,-2.9 59,-2.4 -2,-0.4 2,-0.6 -0.998 19.1-157.6-137.4 137.4 48.0 -2.1 69.8 59 59 A C E -D 116 0A 24 -2,-0.3 57,-0.3 57,-0.2 3,-0.1 -0.971 12.1-174.5-111.4 110.1 47.1 1.5 68.8 60 60 A D E - 0 0 64 55,-1.7 2,-0.3 -2,-0.6 56,-0.2 0.770 66.8 -12.4 -75.0 -27.5 48.4 1.8 65.3 61 61 A H E +D 115 0A 49 54,-1.4 54,-3.3 13,-0.1 2,-0.3 -0.882 56.8 174.9-174.5 138.4 47.6 5.5 65.0 62 62 A A E +D 114 0A 0 -2,-0.3 12,-1.4 52,-0.2 11,-1.3 -0.965 21.3 142.6-150.1 134.3 45.7 8.2 66.9 63 63 A G E -DE 113 72A 3 50,-1.7 50,-2.2 -2,-0.3 2,-0.3 -0.996 17.7-178.1-167.0 165.2 45.5 11.9 66.1 64 64 A Y E -DE 112 71A 6 7,-2.3 7,-3.6 -2,-0.3 2,-0.4 -0.989 31.3-100.2-166.2 162.5 43.6 15.2 65.9 65 65 A M E - E 0 70A 102 46,-0.6 2,-0.6 -2,-0.3 5,-0.2 -0.753 23.9-173.9 -93.1 129.0 43.7 18.9 65.0 66 66 A S E > S- E 0 69A 38 3,-2.3 3,-2.4 -2,-0.4 2,-0.4 -0.963 72.0 -50.4-121.4 103.4 44.0 21.5 67.8 67 67 A G T 3 S- 0 0 71 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.518 120.7 -28.8 66.5-121.6 43.6 24.8 66.2 68 68 A S T 3 S+ 0 0 109 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.161 119.6 94.7-114.3 18.6 46.0 24.6 63.3 69 69 A N E < S-E 66 0A 108 -3,-2.4 -3,-2.3 2,-0.0 2,-0.6 -0.925 70.9-133.2-109.3 128.7 48.6 22.2 64.8 70 70 A Y E -E 65 0A 126 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.705 20.9-154.9 -85.1 125.3 48.2 18.4 64.2 71 71 A I E -E 64 0A 55 -7,-3.6 -7,-2.3 -2,-0.6 2,-0.9 -0.855 5.9-153.9-105.4 123.0 48.5 16.3 67.4 72 72 A D E +E 63 0A 90 -2,-0.5 3,-0.3 -9,-0.2 -9,-0.3 -0.809 20.0 169.5 -95.8 106.8 49.6 12.7 67.3 73 73 A A > + 0 0 1 -11,-1.3 3,-2.5 -2,-0.9 4,-0.3 0.306 37.1 119.9 -99.4 10.6 48.2 11.0 70.3 74 74 A T G > S+ 0 0 32 -12,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.845 76.0 47.0 -41.4 -50.2 49.1 7.5 69.1 75 75 A S G 3 S+ 0 0 97 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.607 103.7 66.3 -72.8 -9.9 51.3 6.7 72.2 76 76 A K G < S+ 0 0 61 -3,-2.5 24,-2.6 -14,-0.1 2,-0.4 0.404 79.1 97.4 -92.3 2.2 48.6 8.1 74.5 77 77 A V E < -J 99 0D 14 -3,-1.2 2,-0.3 -4,-0.3 22,-0.2 -0.725 50.3-172.8 -95.3 139.0 46.0 5.4 73.9 78 78 A T E -J 98 0D 55 20,-2.8 20,-2.8 -2,-0.4 2,-0.4 -0.935 8.7-151.0-128.1 155.5 45.5 2.4 76.1 79 79 A G E -J 97 0D 22 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.951 10.2-173.0-126.7 144.7 43.4 -0.7 75.8 80 80 A S E -J 96 0D 46 16,-1.6 16,-2.6 -2,-0.4 2,-0.5 -0.987 14.3-146.4-136.9 148.4 41.8 -2.9 78.5 81 81 A F E +J 95 0D 64 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.945 26.2 168.9-119.9 115.8 39.9 -6.2 78.4 82 82 A K E -J 94 0D 89 12,-2.0 12,-2.1 -2,-0.5 2,-0.1 -0.891 32.3-106.5-126.8 155.7 37.2 -6.8 81.0 83 83 A A E -J 93 0D 64 -2,-0.3 2,-0.7 10,-0.2 10,-0.3 -0.367 20.1-132.7 -78.6 157.0 34.4 -9.3 81.5 84 84 A V E - 0 0 27 8,-2.1 7,-0.1 -2,-0.1 -1,-0.0 -0.945 31.6-139.6-108.8 107.3 30.7 -8.7 80.9 85 85 A S E S+ 0 0 121 -2,-0.7 2,-0.1 1,-0.2 7,-0.0 -0.978 90.0 28.7-117.4 120.9 29.0 -10.0 84.0 86 86 A P E S- 0 0 109 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.596 101.9-129.7 -82.8 154.2 26.5 -11.4 83.5 87 87 A A E - 0 0 70 -2,-0.1 2,-0.2 5,-0.1 5,-0.2 -0.385 23.8-160.5 -63.9 137.1 27.5 -12.6 80.0 88 88 A V E > -J 91 0D 52 3,-2.1 3,-2.0 1,-0.1 2,-0.2 -0.681 40.1 -66.3-111.6 172.8 24.9 -11.9 77.2 89 89 A T T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.2 -41,-0.0 -0.425 122.2 1.0 -61.9 125.2 24.5 -13.6 73.8 90 90 A N T 3 S+ 0 0 66 -2,-0.2 42,-2.7 41,-0.1 -1,-0.3 0.626 121.3 81.5 70.9 18.5 27.6 -12.8 71.7 91 91 A A E < + J 0 88D 0 -3,-2.0 -3,-2.1 40,-0.2 -43,-0.2 -0.683 29.0 138.6-156.4 96.4 29.2 -10.7 74.4 92 92 A D E S+ 0 0 44 -45,-1.7 -8,-2.1 -5,-0.2 2,-0.3 0.489 78.7 17.7-112.6 -7.6 31.2 -12.1 77.3 93 93 A H E -IJ 47 83D 36 -46,-1.9 -46,-2.3 -10,-0.3 2,-0.3 -0.948 64.9-150.5-150.7 170.5 34.0 -9.5 77.3 94 94 A Y E -IJ 46 82D 30 -12,-2.1 -12,-2.0 -2,-0.3 2,-0.3 -0.995 15.7-128.5-152.2 143.5 34.8 -6.0 76.0 95 95 A L E -IJ 45 81D 0 -50,-2.8 -50,-2.0 -2,-0.3 2,-0.5 -0.706 23.5-160.1 -84.0 138.8 37.7 -3.9 74.8 96 96 A E E -IJ 44 80D 25 -16,-2.6 -16,-1.6 -2,-0.3 2,-0.5 -0.973 1.9-160.8-123.7 116.8 37.8 -0.6 76.5 97 97 A V E +IJ 43 79D 1 -54,-3.1 -54,-2.0 -2,-0.5 2,-0.3 -0.819 19.9 164.7 -96.3 131.5 39.9 2.1 74.8 98 98 A A E - 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