==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 23-FEB-00 1EHX . COMPND 2 MOLECULE: SCAFFOLDIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR A.MOSBAH,A.BELAICH,O.BORNET,J.P.BELAICH,B.HENRISSAT,H.DARBON . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 23.4 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 . 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 . 1 1.1 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 . 23 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 5.3 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 185 0, 0.0 2,-0.2 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 51.8 -5.6 19.7 -0.2 2 2 A Q - 0 0 94 72,-0.1 28,-0.1 2,-0.1 71,-0.0 -0.496 360.0-128.9-107.6 178.6 -5.1 17.8 -3.5 3 3 A D + 0 0 106 26,-0.2 2,-0.3 -2,-0.2 27,-0.1 -0.320 44.2 157.0-124.9 49.5 -7.4 15.7 -5.6 4 4 A P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.563 26.7-155.7 -78.0 136.1 -5.3 12.5 -6.2 5 5 A T E +A 26 0A 86 21,-2.0 21,-3.0 -2,-0.3 2,-0.2 -0.902 30.7 141.2-118.9 105.9 -7.2 9.3 -7.1 6 6 A I E -A 25 0A 25 -2,-0.6 19,-0.2 1,-0.4 43,-0.0 -0.691 53.1 -43.1-129.9-176.8 -5.4 6.1 -6.3 7 7 A N S S- 0 0 20 17,-0.8 -1,-0.4 -2,-0.2 16,-0.0 0.217 78.3 -74.0 -39.9 168.8 -6.1 2.6 -5.0 8 8 A P - 0 0 87 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.457 40.8-113.0 -51.1-157.9 -8.4 2.1 -2.0 9 9 A T S S+ 0 0 63 1,-0.3 73,-3.0 72,-0.1 2,-0.3 0.375 87.1 21.4-126.6 -1.2 -7.5 3.0 1.6 10 10 A S E +b 82 0B 77 71,-0.3 -1,-0.3 57,-0.1 2,-0.3 -0.906 54.5 169.6-170.2 140.5 -7.4 -0.4 3.3 11 11 A I E -b 83 0B 66 71,-2.5 73,-2.4 -2,-0.3 2,-0.4 -0.939 16.9-144.2-146.5 165.2 -7.1 -4.1 2.5 12 12 A S E +b 84 0B 98 -2,-0.3 2,-0.3 71,-0.2 73,-0.1 -0.997 30.7 130.8-141.7 136.8 -6.6 -7.4 4.4 13 13 A A E -b 85 0B 27 71,-2.4 73,-2.0 -2,-0.4 2,-0.1 -0.968 57.2 -76.9-170.8 163.2 -4.7 -10.6 3.6 14 14 A K > - 0 0 96 -2,-0.3 3,-1.8 71,-0.2 2,-1.0 -0.457 59.4 -96.9 -70.5 140.2 -2.2 -13.1 5.0 15 15 A A T 3 S+ 0 0 1 1,-0.3 43,-0.2 2,-0.1 -1,-0.1 -0.434 118.2 25.8 -63.5 101.3 1.3 -11.9 5.0 16 16 A G T 3 S+ 0 0 29 -2,-1.0 -1,-0.3 3,-0.0 42,-0.2 -0.201 95.1 89.0 136.3 -37.1 2.5 -13.6 1.9 17 17 A S < + 0 0 70 -3,-1.8 2,-1.1 1,-0.2 -2,-0.1 0.365 66.6 100.7 -69.4 9.7 -0.7 -13.9 0.0 18 18 A F - 0 0 13 -4,-0.3 40,-0.3 36,-0.2 -1,-0.2 -0.629 59.1-174.6 -98.9 74.9 0.2 -10.5 -1.2 19 19 A A - 0 0 65 -2,-1.1 33,-0.2 1,-0.2 -2,-0.1 -0.320 51.1 -60.0 -68.5 152.3 1.6 -11.3 -4.7 20 20 A D - 0 0 82 1,-0.1 2,-0.5 31,-0.1 33,-0.2 -0.020 66.7-171.4 -34.4 114.8 3.1 -8.4 -6.7 21 21 A T E -D 52 0C 68 31,-2.0 31,-2.9 -3,-0.2 2,-0.6 -0.968 15.4-148.0-124.3 121.4 0.2 -6.0 -7.0 22 22 A K E -D 51 0C 151 -2,-0.5 29,-0.3 29,-0.3 2,-0.2 -0.770 16.8-159.7 -91.0 119.6 0.4 -2.9 -9.2 23 23 A I E -D 50 0C 15 27,-3.2 27,-2.2 -2,-0.6 2,-0.5 -0.576 14.1-124.5 -94.9 158.6 -1.6 0.0 -7.9 24 24 A T E -D 49 0C 71 25,-0.2 2,-0.8 -2,-0.2 -17,-0.8 -0.917 16.6-165.6-109.9 121.7 -2.9 3.0 -9.9 25 25 A L E -A 6 0A 0 23,-2.3 -19,-0.3 -2,-0.5 7,-0.1 -0.814 11.0-153.2-107.7 92.5 -2.0 6.5 -8.8 26 26 A T E +A 5 0A 48 -21,-3.0 -21,-2.0 -2,-0.8 3,-0.2 -0.533 19.2 174.3 -69.6 109.9 -4.3 9.0 -10.7 27 27 A P > + 0 0 42 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.078 26.7 141.0-100.0 16.1 -2.2 12.3 -10.8 28 28 A N T 3 S- 0 0 153 1,-0.3 3,-0.1 -23,-0.1 -2,-0.1 0.614 97.7 -5.9 -37.2 -13.8 -4.9 13.9 -13.0 29 29 A G T 3 S+ 0 0 43 -3,-0.2 -1,-0.3 1,-0.1 2,-0.3 0.229 130.3 65.2-168.2 13.4 -4.0 16.9 -10.9 30 30 A N < - 0 0 15 -3,-0.7 2,-0.3 -27,-0.1 -1,-0.1 -0.893 62.6-132.5-140.3 169.6 -1.6 15.7 -8.2 31 31 A T - 0 0 94 41,-0.4 2,-0.4 -2,-0.3 -5,-0.0 -0.873 10.9-145.7-125.2 158.1 1.9 14.2 -7.9 32 32 A F + 0 0 21 -2,-0.3 40,-0.2 1,-0.1 3,-0.1 -0.984 16.7 174.6-128.3 135.6 3.4 11.3 -6.0 33 33 A N - 0 0 112 38,-3.2 2,-0.3 -2,-0.4 -1,-0.1 0.847 56.5 -69.5-101.3 -55.5 6.8 11.0 -4.3 34 34 A G - 0 0 8 37,-0.5 37,-2.2 35,-0.1 2,-0.9 -0.939 38.0 -89.3 171.4 168.6 6.8 7.7 -2.5 35 35 A I B > -F 70 0D 0 3,-0.3 3,-1.7 -2,-0.3 5,-0.4 -0.807 32.9-177.4-103.5 92.8 5.4 5.5 0.3 36 36 A S G > S+ 0 0 103 -2,-0.9 3,-0.8 33,-0.6 -1,-0.2 0.894 77.8 72.9 -55.7 -43.9 7.7 6.1 3.3 37 37 A E G 3 S+ 0 0 47 1,-0.3 2,-0.3 32,-0.3 -1,-0.3 0.825 114.4 29.2 -41.5 -31.2 5.8 3.6 5.4 38 38 A L G < S- 0 0 2 -3,-1.7 5,-0.4 31,-0.1 -1,-0.3 -0.752 102.3-121.6-135.5 85.2 7.6 1.2 3.1 39 39 A Q X - 0 0 139 -3,-0.8 2,-1.6 -2,-0.3 3,-1.5 0.053 40.5-106.5 -31.8 89.1 10.9 2.7 1.9 40 40 A S G > S+ 0 0 57 -5,-0.4 3,-2.7 1,-0.3 -1,-0.2 0.371 118.0 79.9 8.3 -41.9 10.0 2.5 -1.8 41 41 A S G 3 S+ 0 0 95 -2,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.812 84.1 64.4 -50.6 -27.7 12.4 -0.4 -2.1 42 42 A Q G < S+ 0 0 29 -3,-1.5 11,-1.4 -4,-0.3 14,-0.5 0.816 116.4 22.1 -63.7 -32.2 9.5 -2.3 -0.7 43 43 A Y E < S-E 52 0C 12 -3,-2.7 2,-0.4 -5,-0.4 9,-0.2 -0.580 76.8-119.3-123.9-173.5 7.6 -1.5 -3.8 44 44 A T E -E 51 0C 76 7,-3.5 7,-2.4 -2,-0.2 -3,-0.1 -0.825 31.3-159.4-136.7 91.0 8.2 -0.4 -7.4 45 45 A K E -E 50 0C 98 -2,-0.4 5,-0.3 5,-0.3 -23,-0.0 -0.196 10.2-169.3 -68.8 163.2 6.7 2.9 -8.3 46 46 A G E > -E 49 0C 37 3,-3.7 3,-1.1 -21,-0.0 -21,-0.2 -0.452 45.7 -94.3-156.8 73.4 5.9 4.1 -11.8 47 47 A T T 3 S+ 0 0 109 1,-0.3 3,-0.1 -14,-0.1 -14,-0.0 0.618 118.2 13.1 10.0 107.1 5.0 7.8 -12.0 48 48 A N T 3 S+ 0 0 69 1,-0.1 -23,-2.3 -16,-0.1 2,-0.3 0.190 136.3 45.6 91.8 -14.2 1.2 7.8 -11.8 49 49 A E E < -DE 24 46C 103 -3,-1.1 -3,-3.7 -25,-0.3 2,-0.3 -0.961 60.9-170.6-151.3 165.3 1.2 4.2 -10.7 50 50 A V E -DE 23 45C 2 -27,-2.2 -27,-3.2 -5,-0.3 2,-0.4 -0.897 7.6-154.9-165.6 132.4 3.1 1.9 -8.2 51 51 A T E -DE 22 44C 21 -7,-2.4 -7,-3.5 -29,-0.3 2,-0.3 -0.879 12.8-139.8-112.5 143.0 3.2 -1.8 -7.6 52 52 A L E -DE 21 43C 6 -31,-2.9 -31,-2.0 -2,-0.4 2,-0.6 -0.764 16.4-129.4-101.5 145.3 4.1 -3.6 -4.3 53 53 A L >> - 0 0 64 -11,-1.4 3,-2.0 -2,-0.3 4,-1.2 -0.836 12.0-133.3 -99.9 124.4 6.3 -6.7 -4.2 54 54 A A H 3> S+ 0 0 26 -2,-0.6 4,-1.9 1,-0.3 -36,-0.2 0.609 102.8 74.4 -45.6 -11.7 5.0 -9.7 -2.2 55 55 A S H 3> S+ 0 0 69 2,-0.2 4,-1.1 3,-0.2 -1,-0.3 0.945 103.2 33.4 -70.4 -47.5 8.6 -9.7 -0.8 56 56 A Y H X> S+ 0 0 21 -3,-2.0 4,-2.0 -14,-0.5 3,-0.7 0.982 122.5 46.4 -69.0 -59.9 8.0 -6.7 1.4 57 57 A L H 3< S+ 0 0 1 -4,-1.2 3,-0.3 1,-0.3 -2,-0.2 0.900 115.0 47.7 -49.2 -47.6 4.4 -7.5 2.1 58 58 A N H 3< S+ 0 0 88 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.795 107.6 58.3 -65.8 -28.1 5.2 -11.1 2.8 59 59 A T H << S+ 0 0 109 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.852 79.6 109.7 -70.0 -35.4 8.1 -9.9 5.0 60 60 A L S < S- 0 0 10 -4,-2.0 4,-0.1 -3,-0.3 -45,-0.0 -0.109 73.2-119.8 -44.1 131.2 5.7 -8.0 7.2 61 61 A P - 0 0 76 0, 0.0 3,-0.6 0, 0.0 -46,-0.1 0.368 53.5 -40.4 -57.0-161.2 5.4 -9.7 10.7 62 62 A E S S- 0 0 117 1,-0.2 2,-2.5 24,-0.1 23,-0.2 0.338 113.2 -18.9 -51.8-168.9 2.3 -11.1 12.2 63 63 A N S S+ 0 0 83 21,-0.1 2,-0.3 23,-0.1 23,-0.3 -0.020 88.4 165.4 -39.1 67.8 -1.1 -9.4 12.0 64 64 A T E -C 85 0B 36 -2,-2.5 21,-3.3 21,-2.2 2,-1.0 -0.695 39.4-134.3 -95.0 146.6 0.5 -6.1 11.2 65 65 A T E -C 84 0B 94 -2,-0.3 19,-0.2 19,-0.2 18,-0.1 -0.667 27.1-167.1-101.7 78.6 -1.5 -3.1 9.8 66 66 A K E -C 83 0B 52 17,-1.7 17,-1.9 -2,-1.0 2,-0.5 -0.363 3.8-156.8 -65.2 139.9 0.6 -1.9 6.9 67 67 A T E -C 82 0B 43 15,-0.3 2,-2.3 -57,-0.1 15,-0.3 -0.879 10.9-149.5-128.3 103.3 -0.3 1.5 5.5 68 68 A L E -C 81 0B 0 13,-3.1 13,-1.9 -2,-0.5 2,-1.7 -0.451 20.5-169.8 -68.8 81.5 0.7 2.3 2.0 69 69 A T E -C 80 0B 45 -2,-2.3 2,-0.8 11,-0.3 -33,-0.6 -0.590 6.0-159.1 -80.5 85.9 1.0 6.0 2.7 70 70 A F B -F 35 0D 0 -2,-1.7 2,-1.1 9,-1.5 -35,-0.2 -0.542 15.0-135.3 -69.9 106.8 1.4 7.3 -0.8 71 71 A D + 0 0 51 -37,-2.2 -38,-3.2 -2,-0.8 -37,-0.5 -0.512 36.5 164.6 -69.3 100.3 3.0 10.7 -0.4 72 72 A F - 0 0 0 -2,-1.1 -41,-0.4 -40,-0.2 -1,-0.2 -0.055 67.7 -95.0-105.3 28.5 1.1 12.9 -2.7 73 73 A G S S+ 0 0 61 -43,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.369 119.4 78.3 75.1 -7.6 2.3 16.1 -1.2 74 74 A V >> + 0 0 11 1,-0.1 3,-2.6 2,-0.0 4,-1.4 -0.269 47.5 158.4-126.2 45.5 -0.8 16.2 0.9 75 75 A G T 34 + 0 0 42 1,-0.3 -1,-0.1 2,-0.2 5,-0.0 0.755 60.6 86.9 -39.1 -29.8 0.0 13.6 3.6 76 76 A T T 34 S- 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.854 123.3 -10.1 -39.8 -46.4 -2.6 15.4 5.7 77 77 A K T <4 S+ 0 0 103 -3,-2.6 -1,-0.3 2,-0.0 -2,-0.2 0.127 94.9 157.7-142.6 17.5 -5.2 13.1 4.0 78 78 A N < - 0 0 5 -4,-1.4 2,-0.9 1,-0.2 -7,-0.1 0.001 61.9 -78.5 -45.1 151.5 -3.1 11.4 1.3 79 79 A P - 0 0 20 0, 0.0 -9,-1.5 0, 0.0 2,-0.6 -0.397 54.6-167.7 -60.6 98.5 -4.4 8.0 0.0 80 80 A K E - C 0 69B 79 -2,-0.9 2,-1.1 -3,-0.2 -11,-0.3 -0.810 10.7-154.3 -94.0 121.3 -3.3 5.7 2.8 81 81 A L E - C 0 68B 5 -13,-1.9 -13,-3.1 -2,-0.6 2,-1.5 -0.716 7.8-161.1 -98.5 85.4 -3.6 2.0 1.8 82 82 A T E -bC 10 67B 41 -73,-3.0 -71,-2.5 -2,-1.1 2,-0.4 -0.492 14.1-174.5 -69.7 89.8 -3.9 0.2 5.1 83 83 A I E -bC 11 66B 2 -17,-1.9 -17,-1.7 -2,-1.5 2,-0.6 -0.742 17.1-139.9 -90.9 130.7 -3.0 -3.3 4.2 84 84 A T E -bC 12 65B 30 -73,-2.4 -71,-2.4 -2,-0.4 2,-0.7 -0.810 12.3-161.6 -94.6 119.1 -3.4 -6.0 6.8 85 85 A V E +bC 13 64B 0 -21,-3.3 -21,-2.2 -2,-0.6 -71,-0.2 -0.866 18.8 164.3-104.2 106.3 -0.6 -8.6 6.9 86 86 A L + 0 0 19 -73,-2.0 4,-0.2 -2,-0.7 -24,-0.1 -0.774 7.8 164.8-123.9 86.6 -1.6 -11.8 8.8 87 87 A P + 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -73,-0.1 0.789 54.4 97.3 -68.7 -27.8 0.8 -14.7 8.0 88 88 A K S S- 0 0 58 -3,-0.1 2,-0.7 1,-0.1 -73,-0.1 -0.382 85.2-115.4 -65.2 136.3 -0.5 -16.6 10.9 89 89 A D S S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.654 79.7 91.9 -79.0 114.6 -3.2 -19.1 10.1 90 90 A I + 0 0 140 -2,-0.7 -1,-0.2 1,-0.5 3,-0.0 0.164 66.2 61.8-161.1 -63.0 -6.5 -18.1 11.7 91 91 A P + 0 0 70 0, 0.0 -1,-0.5 0, 0.0 3,-0.1 -0.222 57.5 90.9 -76.4 167.8 -8.8 -16.0 9.5 92 92 A G + 0 0 72 1,-0.1 2,-2.3 -3,-0.1 -3,-0.0 0.611 38.4 165.6 116.1 22.5 -10.3 -17.1 6.2 93 93 A L 0 0 177 -3,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.457 360.0 360.0 -71.5 78.9 -13.6 -18.6 7.4 94 94 A E 0 0 258 -2,-2.3 0, 0.0 -3,-0.1 0, 0.0 -0.406 360.0 360.0 -72.1 360.0 -15.2 -18.6 3.9