==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-MAY-08 3D0J . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN CA_C3497; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM ATCC 824; . AUTHOR Y.KIM,L.BIGELOW,S.CLANCY,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CEN . 138 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 36.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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-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 . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 10.1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 3 1 1 1 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 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 0 A A 0 0 157 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 33.7 14.6 39.0 2 1 A X - 0 0 187 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.562 360.0-137.9 -80.1 137.7 34.5 14.4 35.3 3 2 A K - 0 0 158 -2,-0.2 2,-0.1 1,-0.1 3,-0.0 -0.492 30.8 -98.4 -77.0 163.9 31.8 13.3 32.8 4 3 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.434 45.3 -97.2 -68.4 158.1 32.7 10.9 30.0 5 4 A D - 0 0 128 -2,-0.1 2,-0.5 -3,-0.1 -3,-0.0 -0.630 42.0-150.8 -72.6 141.1 33.3 12.6 26.6 6 5 A I - 0 0 133 -2,-0.3 2,-0.4 -3,-0.0 -3,-0.0 -0.975 13.6-170.4-124.1 120.7 30.1 12.3 24.7 7 6 A Y + 0 0 102 -2,-0.5 2,-0.3 2,-0.0 10,-0.1 -0.896 10.0 166.5-118.0 142.7 30.2 12.1 20.9 8 7 A E - 0 0 140 -2,-0.4 2,-0.4 9,-0.0 19,-0.1 -0.958 22.3-146.4-143.8 163.3 27.5 12.2 18.2 9 8 A N + 0 0 1 -2,-0.3 4,-0.1 1,-0.1 6,-0.1 -0.963 22.8 163.3-134.9 115.3 27.2 12.7 14.5 10 9 A N + 0 0 130 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.194 54.1 94.7-109.1 13.9 24.3 14.5 12.9 11 10 A R S S- 0 0 191 1,-0.1 18,-0.2 2,-0.1 2,-0.1 -0.513 86.4 -85.0-100.2 166.5 26.0 15.1 9.6 12 11 A E S S- 0 0 129 -2,-0.2 19,-0.2 16,-0.1 -1,-0.1 -0.412 90.9 -15.9 -63.9 140.6 25.9 13.1 6.3 13 12 A G S S+ 0 0 3 17,-2.2 16,-2.6 -2,-0.1 2,-0.3 -0.291 110.5 5.0 73.1-142.5 28.3 10.2 6.2 14 13 A I E +A 28 0A 79 14,-0.2 2,-0.4 12,-0.0 14,-0.2 -0.646 44.7 178.0 -98.3 137.0 31.3 9.7 8.4 15 14 A L E -A 27 0A 63 12,-2.2 12,-2.9 -2,-0.3 2,-0.5 -0.984 23.3-142.0-129.9 122.6 32.5 11.6 11.5 16 15 A a E +A 26 0A 64 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.710 25.5 172.6 -78.2 127.7 35.5 10.4 13.3 17 16 A V E + 0 0 26 8,-2.4 2,-0.4 -2,-0.5 9,-0.2 0.700 58.2 29.8-113.4 -23.9 34.9 10.9 17.0 18 17 A Y E +A 25 0A 80 7,-1.8 7,-2.6 -11,-0.0 2,-0.3 -0.999 61.0 167.6-140.8 134.0 37.7 9.2 18.9 19 18 A K E +A 24 0A 126 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.997 3.8 162.5-142.1 141.7 41.3 8.7 17.9 20 19 A N - 0 0 42 3,-2.1 -2,-0.0 -2,-0.3 0, 0.0 -0.717 60.0 -79.8-136.2-163.9 44.5 7.7 19.6 21 20 A E S S+ 0 0 178 -2,-0.2 88,-0.1 1,-0.1 3,-0.1 0.613 126.6 32.7 -78.3 -4.3 47.9 6.4 18.3 22 21 A K S S+ 0 0 157 1,-0.3 86,-2.1 86,-0.1 87,-0.4 0.813 121.3 6.0-112.9 -53.3 46.4 2.9 17.9 23 22 A W E - B 0 107A 115 84,-0.3 -3,-2.1 85,-0.2 2,-0.3 -0.834 51.7-153.5-132.0 167.8 42.7 2.9 17.0 24 23 A L E -AB 19 106A 3 82,-2.4 82,-1.4 -2,-0.3 2,-0.4 -0.941 7.4-146.8-135.5 166.3 39.9 5.2 16.1 25 24 A V E -AB 18 105A 40 -7,-2.6 -8,-2.4 -2,-0.3 -7,-1.8 -1.000 17.8-174.4-134.2 127.4 36.1 5.1 16.3 26 25 A a E -AB 16 104A 4 78,-2.5 78,-2.3 -2,-0.4 2,-0.5 -0.908 19.5-142.8-122.1 152.4 33.8 6.7 13.8 27 26 A I E -AB 15 103A 11 -12,-2.9 -12,-2.2 -2,-0.3 2,-0.5 -0.973 22.0-162.2-111.5 125.1 30.0 7.2 13.6 28 27 A K E -AB 14 102A 11 74,-3.3 74,-2.2 -2,-0.5 -14,-0.2 -0.940 9.2-177.9-116.3 122.5 28.6 6.8 10.0 29 28 A N E - B 0 101A 21 -16,-2.6 72,-0.2 -2,-0.5 70,-0.1 -0.466 47.9 -59.3 -98.9 178.0 25.2 8.1 8.9 30 29 A W + 0 0 39 70,-0.7 -17,-2.2 68,-0.4 -1,-0.2 -0.229 55.8 173.4 -56.4 143.2 23.6 7.7 5.5 31 30 A K >> - 0 0 32 -19,-0.2 3,-2.6 -3,-0.1 4,-0.6 -0.961 44.2-103.4-147.4 151.2 25.5 9.1 2.5 32 31 A P G >4 S+ 0 0 64 0, 0.0 3,-1.3 0, 0.0 6,-0.4 0.775 115.8 57.1 -45.1 -40.8 24.7 8.8 -1.2 33 32 A D G 34 S+ 0 0 39 1,-0.3 7,-0.4 4,-0.1 8,-0.3 0.468 108.4 48.8 -80.4 2.7 27.4 6.2 -2.1 34 33 A N G <4 S+ 0 0 0 -3,-2.6 62,-2.5 5,-0.1 -1,-0.3 0.412 89.4 104.3-104.8 -9.4 25.9 3.8 0.5 35 34 A D B XX S-e 96 0B 30 -3,-1.3 3,-1.2 -4,-0.6 4,-0.9 -0.453 85.6-115.7 -66.6 151.9 22.4 4.3 -0.7 36 35 A I T 34 S+ 0 0 26 60,-0.5 3,-0.5 1,-0.3 -1,-0.1 0.876 119.7 47.1 -53.7 -35.6 20.9 1.3 -2.7 37 36 A E T 34 S+ 0 0 134 1,-0.2 -1,-0.3 92,-0.0 -4,-0.1 0.705 113.2 49.1 -76.0 -20.9 20.8 3.7 -5.7 38 37 A G T <4 S+ 0 0 26 -3,-1.2 2,-0.2 -6,-0.4 -1,-0.2 0.372 70.6 130.3-105.0 1.4 24.3 5.0 -5.2 39 38 A I < + 0 0 4 -4,-0.9 -5,-0.1 -3,-0.5 90,-0.1 -0.405 20.9 136.5 -61.1 120.4 26.3 1.8 -4.8 40 39 A A + 0 0 35 1,-0.4 80,-2.4 -7,-0.4 2,-0.3 0.507 56.2 21.0-144.2 -18.5 29.2 2.2 -7.2 41 40 A H E -F 119 0B 39 -8,-0.3 -1,-0.4 78,-0.3 2,-0.3 -0.979 57.2-136.2-156.3 157.3 32.5 1.1 -5.7 42 41 A L E -F 118 0B 0 76,-2.4 76,-2.1 -2,-0.3 2,-0.3 -0.786 18.5-138.4-111.6 166.2 34.0 -1.1 -2.9 43 42 A E E -FG 117 92B 31 49,-3.1 49,-2.6 -2,-0.3 2,-0.4 -0.843 11.5-165.3-122.3 158.7 36.8 -0.3 -0.5 44 43 A I E -F 116 0B 7 72,-2.4 72,-2.3 -2,-0.3 2,-0.6 -0.998 10.2-150.9-144.7 140.0 39.7 -2.3 0.7 45 44 A H E -F 115 0B 8 45,-0.4 44,-2.8 -2,-0.4 45,-0.3 -0.951 5.3-168.7-108.6 122.8 42.1 -1.8 3.7 46 45 A H S S+ 0 0 59 68,-3.1 69,-0.2 -2,-0.6 -1,-0.1 0.704 84.4 27.0 -80.1 -15.6 45.6 -3.3 3.1 47 46 A S S S+ 0 0 80 67,-0.5 2,-0.4 1,-0.1 -1,-0.2 0.404 111.8 56.0-131.5 -2.3 46.8 -2.9 6.7 48 47 A T - 0 0 23 66,-0.2 41,-0.2 39,-0.1 2,-0.2 -0.993 60.1-137.8-137.8 144.5 43.8 -2.9 9.1 49 48 A D - 0 0 77 -2,-0.4 58,-0.5 38,-0.2 2,-0.4 -0.549 27.5-151.1 -79.7 161.7 40.9 -5.0 10.1 50 49 A E E -C 86 0A 6 36,-1.9 36,-3.0 -2,-0.2 2,-0.4 -0.999 6.1-155.6-141.2 134.6 37.6 -3.1 10.6 51 50 A Q E -CD 85 105A 55 54,-2.2 54,-2.1 -2,-0.4 2,-0.4 -0.886 8.8-158.4-110.1 146.6 34.7 -3.8 12.9 52 51 A F E -CD 84 104A 0 32,-2.5 32,-2.2 -2,-0.4 2,-0.4 -0.966 7.2-171.3-127.3 140.4 31.1 -2.5 12.3 53 52 A I E - D 0 103A 69 50,-2.7 50,-2.9 -2,-0.4 2,-0.4 -0.981 18.3-139.8-134.2 119.7 28.3 -2.1 14.8 54 53 A L E + D 0 102A 9 28,-0.5 27,-0.5 -2,-0.4 48,-0.3 -0.668 25.9 168.8 -82.1 130.5 24.7 -1.2 13.6 55 54 A S E + 0 0 58 46,-2.9 2,-0.3 -2,-0.4 47,-0.2 0.817 61.7 6.6-107.0 -46.2 23.0 1.3 15.9 56 55 A A E S+ D 0 101A 34 45,-2.0 45,-2.0 2,-0.1 -1,-0.4 -0.965 106.1 1.7-140.2 152.8 19.8 2.4 14.0 57 56 A G S S- 0 0 17 -2,-0.3 2,-0.3 43,-0.2 43,-0.1 -0.173 91.7 -51.5 70.9-164.1 18.0 1.5 10.9 58 57 A K + 0 0 74 21,-0.0 39,-0.7 2,-0.0 2,-0.3 -0.809 51.5 176.2-114.1 152.4 18.9 -1.3 8.5 59 58 A A E -H 96 0B 0 19,-0.4 19,-2.6 -2,-0.3 2,-0.4 -0.989 17.8-153.3-155.9 149.1 22.2 -2.0 6.8 60 59 A I E -HI 95 77B 0 35,-2.4 35,-2.6 -2,-0.3 2,-0.6 -0.968 13.5-146.0-119.9 136.7 23.9 -4.6 4.6 61 60 A L E -HI 94 76B 7 15,-2.9 15,-1.9 -2,-0.4 2,-0.4 -0.931 12.3-154.2-103.3 118.2 27.6 -5.3 4.5 62 61 A I E -HI 93 75B 0 31,-3.2 31,-1.8 -2,-0.6 2,-0.3 -0.791 14.8-179.1 -85.5 134.7 28.9 -6.2 1.0 63 62 A T E +HI 92 74B 33 11,-2.2 11,-2.9 -2,-0.4 2,-0.3 -0.961 8.4 170.3-129.7 151.3 32.1 -8.3 1.1 64 63 A A E -HI 91 73B 10 27,-2.0 27,-1.4 -2,-0.3 2,-0.4 -0.996 29.3-141.8-154.9 155.2 33.9 -9.4 -2.1 65 64 A E E - I 0 72B 106 7,-1.9 7,-3.0 -2,-0.3 2,-0.5 -0.944 26.7-129.2-114.5 151.6 36.9 -11.1 -3.6 66 65 A K E - I 0 71B 87 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.864 24.4-176.4-101.6 125.1 38.4 -9.9 -6.9 67 66 A E E > - I 0 70B 105 3,-3.3 3,-2.5 -2,-0.5 2,-0.2 -0.991 66.9 -41.3-127.7 119.5 38.9 -12.6 -9.4 68 67 A N T 3 S- 0 0 154 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.472 124.9 -31.7 51.7-119.5 40.6 -11.5 -12.6 69 68 A D T 3 S+ 0 0 137 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.193 124.6 82.7-110.7 21.3 38.7 -8.2 -13.2 70 69 A K E < S-I 67 0B 124 -3,-2.5 -3,-3.3 50,-0.1 2,-0.4 -0.918 71.3-125.2-126.5 146.9 35.4 -9.2 -11.6 71 70 A F E -I 66 0B 14 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.760 6.3-147.9 -93.0 136.1 34.1 -9.3 -8.0 72 71 A N E -I 65 0B 66 -7,-3.0 -7,-1.9 -2,-0.4 2,-0.3 -0.928 35.1-151.4 -92.8 120.4 32.6 -12.3 -6.4 73 72 A I E -I 64 0B 26 -2,-0.6 2,-0.4 -9,-0.2 -9,-0.2 -0.750 23.5-175.0-111.2 139.3 30.0 -10.7 -4.1 74 73 A E E -I 63 0B 113 -11,-2.9 -11,-2.2 -2,-0.3 2,-0.4 -0.962 10.7-155.8-122.2 146.2 28.5 -11.6 -0.7 75 74 A L E -I 62 0B 30 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.992 7.6-172.1-120.9 134.9 25.7 -9.6 1.1 76 75 A T E -I 61 0B 47 -15,-1.9 -15,-2.9 -2,-0.4 2,-0.5 -0.985 19.5-139.0-128.1 118.2 25.2 -9.9 4.8 77 76 A L E -I 60 0B 46 -2,-0.5 -17,-0.2 -17,-0.2 2,-0.2 -0.656 29.3-128.5 -74.2 120.3 22.2 -8.2 6.5 78 77 A X - 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0 0 33 -3,-1.3 -45,-0.4 -45,-0.3 -1,-0.2 -0.958 64.8-129.6-109.6 126.6 38.8 -8.1 2.0 91 90 A W E + H 0 64B 30 -27,-1.4 -27,-2.0 -2,-0.5 2,-0.3 -0.457 42.8 154.7 -70.5 144.0 36.8 -5.8 -0.3 92 91 A F E +GH 43 63B 5 -49,-2.6 -49,-3.1 -29,-0.2 2,-0.3 -0.982 21.1 171.3-157.0 167.3 33.7 -4.3 1.4 93 92 A Y E - H 0 62B 12 -31,-1.8 -31,-3.2 -2,-0.3 2,-0.3 -0.939 28.1-112.7-169.3 170.1 31.2 -1.6 1.5 94 93 A S E - H 0 61B 0 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.2 -0.798 8.6-155.8-106.9 152.9 27.9 -0.8 3.2 95 94 A I E + H 0 60B 0 -35,-2.6 -35,-2.4 -2,-0.3 2,-0.3 -0.999 31.7 166.8-120.1 126.0 24.4 -0.3 1.9 96 95 A T E -eH 35 59B 3 -62,-2.5 -60,-0.5 -2,-0.4 2,-0.2 -0.813 29.4-126.0-135.9 171.8 22.3 1.9 4.2 97 96 A Q > - 0 0 58 -39,-0.7 3,-2.2 -2,-0.3 -67,-0.2 -0.681 41.8 -92.6-119.2 171.6 19.0 3.8 4.4 98 97 A K T 3 S+ 0 0 150 1,-0.3 -68,-0.4 -2,-0.2 -63,-0.0 0.785 125.4 42.3 -62.4 -26.1 18.4 7.4 5.3 99 98 A D T 3 S+ 0 0 111 -70,-0.1 -1,-0.3 -41,-0.0 2,-0.2 0.262 88.3 121.7-100.0 10.3 17.8 6.6 9.0 100 99 A T < + 0 0 3 -3,-2.2 -70,-0.7 -43,-0.1 2,-0.4 -0.536 34.7 178.8 -74.4 140.4 20.8 4.2 9.4 101 100 A K E +BD 29 56A 52 -45,-2.0 -46,-2.9 -2,-0.2 -45,-2.0 -0.992 5.4 166.3-139.0 131.8 23.6 4.8 11.9 102 101 A X E -BD 28 54A 1 -74,-2.2 -74,-3.3 -2,-0.4 2,-0.4 -0.932 23.6-139.3-136.7 161.6 26.5 2.5 12.5 103 102 A X E -BD 27 53A 54 -50,-2.9 -50,-2.7 -2,-0.3 2,-0.3 -0.897 17.5-165.5-114.2 151.7 29.9 2.8 14.3 104 103 A Y E -BD 26 52A 26 -78,-2.3 -78,-2.5 -2,-0.4 2,-0.4 -0.976 8.1-155.9-137.1 156.4 33.1 1.4 13.1 105 104 A V E +BD 25 51A 36 -54,-2.1 -54,-2.2 -2,-0.3 2,-0.3 -0.990 26.4 144.3-127.6 132.9 36.5 0.7 14.6 106 105 A Q E -B 24 0A 20 -82,-1.4 -82,-2.4 -2,-0.4 -56,-0.1 -0.943 54.6 -59.3-154.3 179.1 39.9 0.5 12.7 107 106 A D E -B 23 0A 55 -58,-0.5 -84,-0.3 -2,-0.3 -85,-0.1 -0.331 46.1-125.9 -64.7 143.0 43.6 1.3 13.0 108 107 A S S S+ 0 0 3 -86,-2.1 2,-1.9 1,-0.2 -85,-0.2 0.629 93.7 91.4 -72.4 -10.4 44.2 5.1 13.6 109 108 A N + 0 0 107 -87,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.571 53.9 161.6 -79.7 77.4 46.6 5.2 10.6 110 109 A C + 0 0 65 -2,-1.9 -1,-0.2 -4,-0.1 2,-0.1 -0.045 16.5 132.7 -99.2 28.9 43.7 6.1 8.3 111 110 A S > - 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