==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 12-OCT-00 1G1K . COMPND 2 MOLECULE: SCAFFOLDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR S.SPINELLI,H.-P.FIEROBE,A.BELAICH,J.-P.BELAICH,B.HENRISSAT, . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 40.2 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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-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 . 37 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 0 2 2 3 5 2 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 2 0 4 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 0 112 0, 0.0 2,-0.3 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 138.4 19.2 4.7 24.3 2 3 A S - 0 0 11 127,-0.1 2,-0.3 129,-0.0 129,-0.2 -0.968 360.0-106.5-165.0 151.5 16.8 6.8 22.5 3 4 A L E -a 131 0A 0 127,-2.4 129,-3.1 -2,-0.3 2,-0.6 -0.617 35.4-144.7 -75.3 133.1 13.9 9.1 23.0 4 5 A K E -aB 132 25A 62 21,-2.4 21,-1.9 -2,-0.3 2,-0.5 -0.918 18.2-178.1-104.7 119.8 10.7 7.4 22.0 5 6 A V E -aB 133 24A 0 127,-2.7 129,-2.0 -2,-0.6 2,-0.4 -0.984 11.6-178.9-119.3 124.0 8.1 9.7 20.3 6 7 A T E -aB 134 23A 45 17,-2.3 17,-2.7 -2,-0.5 2,-0.5 -0.974 24.7-144.8-130.4 136.2 4.9 8.0 19.4 7 8 A V E - B 0 22A 3 127,-2.8 15,-0.2 -2,-0.4 105,-0.1 -0.831 29.9-140.2 -94.0 134.3 1.7 9.0 17.8 8 9 A G - 0 0 18 13,-3.0 129,-1.4 -2,-0.5 2,-0.3 0.075 10.7-111.6 -82.0-166.3 -1.3 7.2 19.2 9 10 A T E -e 137 0B 103 127,-0.2 2,-0.3 10,-0.1 129,-0.2 -0.923 24.3-177.9-129.2 158.2 -4.4 5.7 17.7 10 11 A A E -e 138 0B 14 127,-1.3 129,-2.6 -2,-0.3 2,-0.4 -0.961 9.4-157.9-147.1 158.9 -8.1 6.5 17.7 11 12 A N E +e 139 0B 103 -2,-0.3 2,-0.3 127,-0.2 129,-0.2 -0.998 28.2 138.4-140.8 139.6 -11.1 4.9 16.2 12 13 A G E -e 140 0B 10 127,-2.7 129,-2.9 -2,-0.4 6,-0.1 -0.977 46.8 -94.0-169.6 177.5 -14.5 6.7 15.5 13 14 A K > - 0 0 118 -2,-0.3 3,-2.6 127,-0.2 88,-0.3 -0.771 57.9 -80.2-104.6 152.3 -17.3 7.2 13.2 14 15 A P T 3 S+ 0 0 35 0, 0.0 88,-0.2 0, 0.0 89,-0.1 -0.287 122.0 30.8 -53.7 138.0 -17.5 10.0 10.6 15 16 A G T 3 S+ 0 0 53 86,-3.0 87,-0.1 1,-0.4 2,-0.1 0.073 95.8 114.5 100.0 -22.5 -18.6 13.2 12.4 16 17 A D < - 0 0 72 -3,-2.6 85,-2.7 86,-0.1 2,-0.5 -0.398 61.4-135.2 -76.2 157.0 -17.0 12.1 15.8 17 18 A T E - C 0 100A 75 83,-0.2 2,-0.3 -3,-0.1 83,-0.2 -0.949 27.6-176.0-112.8 132.7 -14.1 14.0 17.3 18 19 A V E - C 0 99A 17 81,-2.5 81,-2.5 -2,-0.5 2,-0.5 -0.883 21.0-126.7-126.5 162.1 -11.3 11.9 18.6 19 20 A T E - C 0 98A 63 -2,-0.3 79,-0.2 79,-0.2 -10,-0.1 -0.924 15.7-168.3-112.8 134.4 -8.1 12.6 20.5 20 21 A V E - C 0 97A 0 77,-2.9 77,-2.3 -2,-0.5 2,-0.2 -0.959 14.9-152.0-121.8 109.4 -4.8 11.3 19.3 21 22 A P E - C 0 96A 37 0, 0.0 -13,-3.0 0, 0.0 2,-0.5 -0.484 5.8-150.4 -83.5 151.1 -2.0 11.7 21.8 22 23 A V E -BC 7 95A 0 73,-2.6 72,-2.7 -15,-0.2 73,-1.6 -0.995 25.0-164.4-118.3 120.9 1.7 12.1 21.0 23 24 A T E -BC 6 93A 43 -17,-2.7 -17,-2.3 -2,-0.5 2,-0.4 -0.769 17.2-148.7-115.1 152.6 3.8 10.7 23.8 24 25 A F E -BC 5 92A 3 68,-2.8 68,-2.0 -2,-0.3 2,-0.3 -0.915 18.6-176.4-112.5 143.1 7.4 10.9 24.8 25 26 A A E +B 4 0A 31 -21,-1.9 -21,-2.4 -2,-0.4 65,-0.0 -0.970 62.6 23.7-138.7 153.1 9.2 7.9 26.5 26 27 A D S > S+ 0 0 34 -2,-0.3 4,-1.2 -23,-0.2 6,-0.1 0.785 71.3 146.9 62.9 30.9 12.7 7.5 28.0 27 28 A V T >4>S+ 0 0 0 2,-0.2 5,-1.7 1,-0.2 3,-0.8 0.956 70.0 46.7 -61.2 -53.2 13.0 11.3 28.5 28 29 A A G >45S+ 0 0 66 1,-0.3 3,-2.1 61,-0.2 -1,-0.2 0.918 107.9 57.6 -57.2 -43.6 15.1 11.0 31.7 29 30 A K G 345S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.850 107.0 49.7 -55.2 -30.3 17.4 8.4 30.0 30 31 A M G <<5S- 0 0 20 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.189 120.8-105.6-100.7 17.0 18.0 11.0 27.3 31 32 A K T < 5 - 0 0 142 -3,-2.1 92,-1.9 91,-0.1 93,-0.4 0.794 69.9 -77.8 68.2 27.8 18.9 14.0 29.7 32 33 A N < - 0 0 45 -5,-1.7 2,-0.7 90,-0.2 92,-0.2 0.330 47.5 -81.0 68.8 172.8 15.8 15.5 29.1 33 34 A V B +G 88 0C 2 55,-1.8 55,-2.9 89,-0.3 89,-0.3 -0.929 40.4 159.6-113.8 114.0 14.2 17.6 26.5 34 35 A G S S+ 0 0 2 87,-2.0 46,-2.8 -2,-0.7 2,-0.3 0.570 74.3 9.9-104.8 -26.5 14.8 21.4 26.3 35 36 A T E +HI 79 121D 21 86,-1.7 86,-3.2 44,-0.2 -1,-0.3 -0.990 63.2 161.0-155.2 147.5 13.8 21.9 22.7 36 37 A C E -HI 78 120D 4 42,-2.3 42,-2.5 -2,-0.3 2,-0.3 -0.982 10.4-178.1-163.3 157.0 12.1 20.1 19.9 37 38 A N E +HI 77 119D 4 82,-2.2 82,-2.9 -2,-0.3 2,-0.3 -0.901 19.1 145.6-159.8 129.0 10.3 20.6 16.7 38 39 A F E -HI 76 118D 0 38,-1.4 38,-2.4 -2,-0.3 2,-0.4 -0.942 30.8-129.9-155.8 172.1 8.7 18.0 14.4 39 40 A Y E -HI 75 115D 0 78,-0.8 76,-2.6 76,-0.7 2,-0.4 -0.987 7.0-156.9-136.5 145.2 5.8 17.6 12.1 40 41 A L E -HI 74 114D 0 34,-2.0 34,-2.4 -2,-0.4 2,-0.3 -0.928 12.6-145.7-117.5 141.6 3.0 15.1 11.6 41 42 A G E +HI 73 113D 6 72,-3.4 72,-1.9 -2,-0.4 2,-0.3 -0.803 18.5 177.5-106.0 148.3 1.1 14.6 8.4 42 43 A Y - 0 0 23 30,-1.7 2,-1.0 -2,-0.3 70,-0.1 -0.975 39.4 -99.3-144.1 157.1 -2.5 13.6 8.2 43 44 A D >> - 0 0 60 68,-0.4 4,-2.9 -2,-0.3 3,-1.8 -0.676 28.9-163.9 -83.4 103.8 -4.9 13.0 5.4 44 45 A A T 34 S+ 0 0 27 -2,-1.0 -1,-0.2 1,-0.3 28,-0.1 0.637 87.2 61.0 -63.8 -14.6 -6.9 16.3 5.1 45 46 A S T 34 S+ 0 0 81 1,-0.1 -1,-0.3 57,-0.0 3,-0.1 0.678 117.9 29.9 -85.9 -13.7 -9.6 14.6 3.0 46 47 A L T <4 S+ 0 0 27 -3,-1.8 56,-2.8 1,-0.2 2,-0.3 0.714 123.4 40.1-109.3 -34.5 -10.3 12.2 5.9 47 48 A L E < -D 101 0A 1 -4,-2.9 2,-0.4 54,-0.2 -1,-0.2 -0.928 55.5-159.8-126.1 148.5 -9.5 14.2 9.0 48 49 A E E -D 100 0A 79 52,-2.0 52,-3.0 -2,-0.3 2,-0.6 -0.989 24.9-129.3-122.3 126.1 -10.0 17.8 10.2 49 50 A V E +D 99 0A 24 -2,-0.4 50,-0.3 50,-0.2 3,-0.1 -0.689 25.7 178.3 -79.9 117.9 -7.8 19.2 13.0 50 51 A V E - 0 0 67 48,-2.9 2,-0.3 -2,-0.6 49,-0.2 0.814 64.1 -32.3 -86.7 -35.1 -10.0 20.7 15.6 51 52 A S E -D 98 0A 44 47,-1.4 47,-3.1 2,-0.0 2,-0.4 -0.964 44.4-141.5-175.8 162.7 -7.2 21.6 17.9 52 53 A V E -D 97 0A 22 -2,-0.3 2,-0.4 45,-0.2 45,-0.2 -0.994 25.0-178.2-135.6 128.1 -3.7 20.7 19.3 53 54 A D E -D 96 0A 82 43,-2.6 43,-2.8 -2,-0.4 13,-0.0 -0.977 31.5-105.4-133.5 145.2 -2.9 21.3 22.9 54 55 A A E -D 95 0A 28 -2,-0.4 41,-0.3 41,-0.2 40,-0.1 -0.302 40.4-130.7 -63.6 148.4 0.3 20.7 25.0 55 56 A G > - 0 0 7 39,-3.1 3,-1.9 -33,-0.1 39,-0.1 -0.357 31.3 -83.3 -93.4-179.8 0.1 17.7 27.2 56 57 A P T 3 S+ 0 0 115 0, 0.0 38,-0.1 0, 0.0 -2,-0.1 0.754 121.0 62.7 -54.2 -31.7 0.9 17.3 30.9 57 58 A I T 3 S+ 0 0 15 36,-1.6 2,-0.7 31,-0.1 32,-0.3 0.567 86.2 85.6 -77.5 -3.5 4.6 16.9 30.5 58 59 A V < - 0 0 12 -3,-1.9 3,-0.5 35,-0.3 2,-0.4 -0.873 69.9-154.8 -99.9 114.8 4.9 20.4 29.1 59 60 A K S S+ 0 0 70 -2,-0.7 5,-0.2 27,-0.5 4,-0.1 -0.728 73.6 3.6 -91.1 137.2 5.3 23.0 31.8 60 61 A N S >> S+ 0 0 76 -2,-0.4 4,-2.3 3,-0.1 3,-1.1 0.966 74.1 178.8 54.2 59.0 4.2 26.5 31.2 61 62 A A H 3> + 0 0 34 -3,-0.5 4,-2.5 1,-0.3 -2,-0.1 0.857 69.4 69.1 -60.0 -40.4 2.9 25.7 27.7 62 63 A A H 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.2 163,-0.1 0.810 115.7 27.1 -50.8 -31.0 1.7 29.3 27.0 63 64 A V H <4 S+ 0 0 49 -3,-1.1 162,-0.4 162,-0.1 -2,-0.2 0.798 129.9 35.8-101.1 -36.2 5.4 30.3 26.9 64 65 A N H < S+ 0 0 9 -4,-2.3 15,-2.7 -5,-0.2 2,-0.3 0.621 106.2 63.6 -97.5 -12.4 7.3 27.2 25.8 65 66 A F E < +J 78 0D 18 -4,-2.5 2,-0.3 13,-0.2 13,-0.2 -0.884 47.6 173.5-121.4 146.4 5.0 25.5 23.4 66 67 A S E +J 77 0D 20 11,-2.5 11,-2.5 -2,-0.3 2,-0.4 -0.983 3.2 176.0-150.6 133.8 3.5 26.3 20.0 67 68 A S E +J 76 0D 33 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.999 3.6 180.0-140.4 138.8 1.5 24.2 17.6 68 69 A S E -J 75 0D 51 7,-1.4 7,-3.1 -2,-0.4 2,-0.5 -0.998 10.7-158.5-138.7 137.5 -0.1 25.0 14.3 69 70 A A E +J 74 0D 44 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.975 17.2 168.8-118.9 117.6 -2.1 22.7 12.0 70 71 A S E > -J 73 0D 56 3,-2.7 3,-1.0 -2,-0.5 -2,-0.0 -0.945 58.6 -47.5-136.3 111.4 -2.5 23.6 8.4 71 72 A N T 3 S- 0 0 128 -2,-0.4 -27,-0.1 1,-0.3 3,-0.1 0.771 123.5 -14.3 41.5 67.6 -3.9 21.3 5.9 72 73 A G T 3 S+ 0 0 10 1,-0.2 -30,-1.7 -29,-0.1 2,-0.4 0.347 122.9 82.9 100.1 -16.9 -2.3 17.9 6.2 73 74 A T E < -HJ 41 70D 39 -3,-1.0 -3,-2.7 -32,-0.2 2,-0.4 -0.993 51.6-169.7-137.1 137.2 0.5 19.1 8.4 74 75 A I E -HJ 40 69D 0 -34,-2.4 -34,-2.0 -2,-0.4 2,-0.4 -0.991 12.4-155.4-122.5 128.7 0.8 19.8 12.1 75 76 A S E -HJ 39 68D 3 -7,-3.1 -7,-1.4 -2,-0.4 2,-0.4 -0.868 5.5-164.7-104.3 139.8 3.9 21.5 13.5 76 77 A F E +HJ 38 67D 0 -38,-2.4 -38,-1.4 -2,-0.4 2,-0.4 -0.994 9.9 177.3-125.9 125.8 5.0 21.0 17.1 77 78 A L E +HJ 37 66D 2 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.4 -0.993 7.9 173.4-132.9 136.2 7.5 23.4 18.7 78 79 A F E +HJ 36 65D 0 -42,-2.5 -42,-2.3 -2,-0.4 2,-0.3 -0.995 7.2 174.7-138.4 128.4 8.8 23.4 22.3 79 80 A L E +H 35 0D 7 -15,-2.7 2,-0.3 -2,-0.4 -44,-0.2 -0.905 15.6 149.8-145.5 117.8 11.6 25.7 23.4 80 81 A D + 0 0 5 -46,-2.8 8,-0.1 -2,-0.3 128,-0.1 -0.785 6.5 159.8-144.0 92.3 13.0 26.2 26.9 81 82 A N S S+ 0 0 29 126,-0.4 126,-0.1 -2,-0.3 -1,-0.1 0.680 75.1 26.0 -87.3 -21.9 16.6 27.2 26.9 82 83 A T S S+ 0 0 70 125,-0.2 2,-0.9 1,-0.1 -1,-0.1 0.663 94.6 78.2-123.8 -15.5 16.9 28.8 30.3 83 84 A I > - 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