==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-FEB-09 3G7G . COMPND 2 MOLECULE: UPF0311 PROTEIN CA_C3321; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM ATCC 824; . AUTHOR R.ZHANG,R.WU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 1166 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 886 76.0 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 . 633 54.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 24 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 124 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 3 0 3 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 . 0 16 8 1 7 27 4 5 4 16 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 0 0 0 0 0 0 0 8 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 8 A E 0 0 164 0, 0.0 2,-0.7 0, 0.0 290,-0.0 0.000 360.0 360.0 360.0-167.1 39.5 31.7 8.9 2 9 A M - 0 0 2 148,-0.0 2,-0.3 276,-0.0 152,-0.1 -0.780 360.0-173.7 -90.5 119.0 41.0 30.9 5.5 3 10 A N + 0 0 93 -2,-0.7 147,-2.2 2,-0.0 2,-0.3 -0.749 6.9 171.7-107.4 156.5 44.1 28.8 5.5 4 11 A Y E -A 149 0A 82 -2,-0.3 2,-0.4 145,-0.3 145,-0.2 -0.973 22.7-139.6-160.2 163.0 46.3 28.0 2.5 5 12 A E E -A 148 0A 110 143,-2.0 143,-3.1 -2,-0.3 2,-0.4 -1.000 22.3-125.5-132.9 128.2 49.6 26.5 1.4 6 13 A E E +A 147 0A 101 -2,-0.4 141,-0.2 141,-0.2 3,-0.1 -0.644 31.3 179.5 -67.3 128.6 52.0 27.7 -1.3 7 14 A V E - 0 0 17 139,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.838 51.4 -40.0-104.5 -41.9 52.4 24.7 -3.5 8 15 A F E -A 146 0A 0 138,-0.8 138,-2.9 33,-0.1 -1,-0.4 -0.963 48.1-126.8-171.1 172.5 54.8 25.8 -6.3 9 16 A S E -AB 145 40A 14 31,-3.2 31,-2.7 -2,-0.3 2,-0.4 -0.917 10.4-154.7-124.9 158.2 55.7 28.7 -8.5 10 17 A I E -AB 144 39A 0 134,-2.4 134,-2.8 -2,-0.3 2,-0.6 -0.997 2.3-159.3-131.6 130.3 56.2 28.9 -12.3 11 18 A T E -AB 143 38A 52 27,-2.1 27,-2.3 -2,-0.4 2,-0.4 -0.968 23.1-165.4-103.7 119.8 58.4 31.5 -14.0 12 19 A I E -AB 142 37A 5 130,-2.6 130,-1.9 -2,-0.6 2,-0.5 -0.892 18.7-152.3-113.4 134.8 57.2 31.8 -17.5 13 20 A T E - B 0 36A 53 23,-2.2 22,-1.9 -2,-0.4 23,-1.5 -0.890 23.0-166.0 -97.4 128.6 58.8 33.4 -20.6 14 21 A V E - B 0 34A 62 -2,-0.5 20,-0.2 20,-0.3 39,-0.0 -0.870 14.3-127.9-115.2 150.4 56.2 34.6 -23.1 15 22 A D - 0 0 84 18,-2.0 3,-0.1 -2,-0.3 -1,-0.1 -0.144 50.3 -67.8 -76.5-179.7 56.5 35.7 -26.7 16 23 A K - 0 0 145 1,-0.1 -1,-0.2 16,-0.1 15,-0.1 -0.476 66.2 -90.8 -67.8 147.3 55.2 39.0 -28.1 17 24 A P - 0 0 60 0, 0.0 2,-0.8 0, 0.0 15,-0.2 -0.238 25.9-134.3 -57.4 145.9 51.4 39.3 -28.1 18 25 A I E -C 31 0A 29 13,-2.6 13,-2.2 -3,-0.1 2,-0.5 -0.910 25.6-147.0 -98.9 97.8 49.4 38.2 -31.2 19 26 A L E +C 30 0A 37 -2,-0.8 11,-0.2 11,-0.2 3,-0.1 -0.559 25.5 172.2 -66.9 118.0 47.1 41.1 -31.6 20 27 A I E - 0 0 1 9,-2.4 2,-0.3 -2,-0.5 10,-0.2 0.884 54.1 -47.7 -90.3 -56.2 43.7 39.9 -33.0 21 28 A G E -C 29 0A 1 8,-1.5 8,-2.6 354,-0.1 2,-0.3 -0.993 42.5-149.9-174.0 163.5 41.6 42.9 -32.7 22 29 A Q E +C 28 0A 14 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.998 16.8 155.9-148.9 147.6 40.2 45.8 -30.8 23 30 A D E > -C 27 0A 4 4,-1.0 4,-0.9 -2,-0.3 1129,-0.2 -0.941 50.9 -99.1-154.6 176.1 37.1 48.0 -30.4 24 31 A D T 4 S+ 0 0 9 1127,-2.9 1128,-0.2 -2,-0.3 730,-0.1 0.300 113.8 40.2 -89.9 10.6 35.5 50.2 -27.7 25 32 A I T 4 S+ 0 0 78 1126,-0.3 -1,-0.1 2,-0.2 1127,-0.1 0.680 126.5 26.4-113.0 -51.3 32.8 47.7 -26.5 26 33 A V T 4 S- 0 0 11 1,-0.3 2,-0.3 390,-0.1 -2,-0.1 0.827 100.9-146.5 -80.7 -35.6 34.5 44.3 -26.4 27 34 A G E < -C 23 0A 3 -4,-0.9 -4,-1.0 32,-0.2 2,-0.6 -0.720 37.8 -29.0 102.1-159.9 38.0 45.6 -25.9 28 35 A R E -CD 22 58A 45 30,-2.4 30,-2.5 -2,-0.3 2,-0.5 -0.904 53.3-162.2-108.1 116.0 41.4 44.3 -27.2 29 36 A R E +CD 21 57A 26 -8,-2.6 -9,-2.4 -2,-0.6 -8,-1.5 -0.845 17.7 162.7 -99.2 129.3 41.9 40.6 -27.8 30 37 A Q E -CD 19 56A 25 26,-2.2 26,-2.6 -2,-0.5 2,-0.5 -0.990 31.0-137.0-142.4 153.6 45.4 39.1 -28.0 31 38 A L E -CD 18 55A 0 -13,-2.2 -13,-2.6 -2,-0.3 24,-0.2 -0.939 17.0-158.3-109.0 124.5 46.9 35.6 -27.8 32 39 A I E - D 0 54A 15 22,-2.8 22,-2.7 -2,-0.5 2,-0.1 -0.913 9.9-144.5-106.7 109.9 50.2 35.3 -25.8 33 40 A P E - D 0 53A 29 0, 0.0 -18,-2.0 0, 0.0 2,-0.7 -0.478 10.2-136.4 -67.9 143.9 52.4 32.3 -26.6 34 41 A I E -B 14 0A 14 18,-2.3 18,-0.4 -20,-0.2 -20,-0.3 -0.922 19.4-174.7-101.3 110.7 54.2 30.7 -23.7 35 42 A I E - 0 0 103 -22,-1.9 2,-0.3 -2,-0.7 -21,-0.2 0.927 60.9 -35.3 -72.3 -43.1 57.8 30.0 -24.9 36 43 A S E -B 13 0A 49 -23,-1.5 -23,-2.2 14,-0.0 2,-0.3 -0.956 54.9-166.3-169.3 173.6 59.0 28.2 -21.8 37 44 A G E -B 12 0A 12 11,-0.3 11,-2.3 -2,-0.3 2,-0.5 -0.891 17.3-132.5-179.5 145.2 58.7 28.1 -18.0 38 45 A K E -BE 11 47A 145 -27,-2.3 -27,-2.1 -2,-0.3 2,-0.4 -0.933 17.5-153.0-113.1 128.0 60.3 26.6 -15.0 39 46 A V E +BE 10 46A 2 7,-2.3 7,-2.0 -2,-0.5 2,-0.3 -0.814 22.3 169.3-100.2 129.9 58.2 25.0 -12.2 40 47 A S E +B 9 0A 43 -31,-2.7 -31,-3.2 -2,-0.4 2,-0.3 -0.998 13.7 110.9-146.3 150.0 59.6 25.0 -8.7 41 48 A G S > S- 0 0 22 -2,-0.3 3,-2.7 -33,-0.3 2,-0.2 -0.848 74.2 -46.1 160.6 162.3 58.4 24.2 -5.2 42 49 A N T 3 S- 0 0 142 1,-0.3 -2,-0.0 -2,-0.3 3,-0.0 -0.354 127.9 -14.4 -61.4 121.1 58.9 21.7 -2.5 43 50 A N T 3 S+ 0 0 135 -2,-0.2 -1,-0.3 1,-0.1 2,-0.1 0.824 121.6 98.7 47.5 38.8 58.8 18.3 -4.2 44 51 A F < + 0 0 10 -3,-2.7 2,-0.4 2,-0.0 -35,-0.3 -0.544 44.0 144.7-151.3 78.2 57.3 20.0 -7.2 45 52 A N + 0 0 68 -5,-0.2 30,-2.2 -2,-0.1 2,-0.2 -0.968 20.3 100.6-126.4 127.1 60.0 20.8 -9.9 46 53 A G E -EF 39 74A 22 -7,-2.0 -7,-2.3 -2,-0.4 2,-0.3 -0.861 53.0 -85.6-170.1-154.1 59.6 20.7 -13.7 47 54 A K E -EF 38 73A 134 26,-2.2 26,-2.7 -2,-0.2 2,-0.3 -0.941 32.8-105.4-139.9 156.4 59.1 22.6 -16.9 48 55 A V E - F 0 72A 10 -11,-2.3 -11,-0.3 -2,-0.3 24,-0.3 -0.675 39.1-136.3 -77.6 140.0 56.3 24.0 -19.0 49 56 A L > - 0 0 25 22,-3.0 3,-0.5 -2,-0.3 22,-0.3 -0.383 28.7 -83.1 -91.6 169.9 55.5 22.0 -22.2 50 57 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 -0.274 100.8 55.4 -65.7 160.8 54.9 23.3 -25.7 51 58 A G T 3 + 0 0 17 1,-0.3 2,-0.3 -17,-0.2 -16,-0.1 0.415 67.1 147.4 104.2 -0.8 51.4 24.5 -26.8 52 59 A G < + 0 0 4 -3,-0.5 -18,-2.3 -18,-0.4 2,-0.4 -0.503 16.0 170.3 -80.7 131.5 50.7 27.1 -24.2 53 60 A I E -DG 33 69A 18 16,-1.9 16,-2.4 -2,-0.3 2,-0.6 -0.998 24.6-151.0-137.5 134.0 48.6 30.2 -25.0 54 61 A D E -DG 32 68A 25 -22,-2.7 -22,-2.8 -2,-0.4 2,-0.6 -0.942 15.2-156.1 -98.3 113.3 47.2 32.9 -22.8 55 62 A S E +DG 31 67A 2 12,-2.8 12,-1.9 -2,-0.6 2,-0.3 -0.857 23.3 179.4 -89.6 119.8 44.0 34.3 -24.4 56 63 A Q E -DG 30 66A 10 -26,-2.6 -26,-2.2 -2,-0.6 2,-0.4 -0.916 22.2-168.8-127.1 144.8 43.5 37.8 -23.0 57 64 A I E -DG 29 65A 3 8,-2.1 8,-2.8 -2,-0.3 2,-0.8 -0.980 11.9-153.0-134.9 125.8 41.0 40.6 -23.5 58 65 A V E -DG 28 64A 18 -30,-2.5 -30,-2.4 -2,-0.4 6,-0.3 -0.871 26.5-140.1 -94.3 110.3 41.6 44.1 -22.1 59 66 A R > - 0 0 66 4,-3.4 3,-2.5 -2,-0.8 -32,-0.2 -0.248 24.1-103.1 -69.2 156.7 38.1 45.5 -21.7 60 67 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.845 122.4 57.5 -50.1 -33.9 37.2 49.1 -22.5 61 68 A D T 3 S- 0 0 52 2,-0.1 1048,-0.1 1,-0.1 34,-0.1 0.442 124.3-102.3 -78.7 0.4 37.3 50.0 -18.8 62 69 A G S < S+ 0 0 5 -3,-2.5 2,-0.3 1,-0.3 -1,-0.1 0.232 77.6 133.5 103.2 -15.1 40.9 48.8 -18.5 63 70 A K - 0 0 30 -5,-0.1 -4,-3.4 26,-0.1 2,-0.5 -0.547 45.4-145.6 -74.2 130.6 40.3 45.4 -16.9 64 71 A C E -GH 58 88A 4 24,-2.7 24,-2.0 -2,-0.3 2,-0.5 -0.868 6.4-158.3 -97.4 122.8 42.2 42.5 -18.4 65 72 A E E -GH 57 87A 67 -8,-2.8 -8,-2.1 -2,-0.5 2,-0.4 -0.929 16.2-162.6 -98.6 122.1 40.5 39.0 -18.4 66 73 A L E +GH 56 86A 9 20,-2.8 20,-2.5 -2,-0.5 2,-0.3 -0.893 19.9 174.9-113.8 136.8 43.0 36.2 -18.8 67 74 A S E -GH 55 85A 17 -12,-1.9 -12,-2.8 -2,-0.4 2,-0.4 -0.855 12.8-176.6-141.1 103.3 42.5 32.5 -19.7 68 75 A A E -GH 54 84A 7 16,-2.7 16,-2.2 -2,-0.3 2,-0.4 -0.792 9.8-169.4-103.5 136.5 45.7 30.4 -20.2 69 76 A R E +GH 53 83A 23 -16,-2.4 -16,-1.9 -2,-0.4 2,-0.3 -0.964 32.9 121.8-126.9 118.3 45.9 26.8 -21.3 70 77 A Y E - H 0 82A 2 12,-1.9 12,-3.3 -2,-0.4 2,-0.3 -0.900 41.9-129.8-159.9-178.8 49.2 25.0 -20.9 71 78 A A E - H 0 81A 0 -22,-0.3 -22,-3.0 -2,-0.3 2,-0.3 -0.943 7.3-149.6-145.9 154.2 50.8 22.0 -19.3 72 79 A I E -FH 48 80A 0 8,-2.6 8,-2.2 -2,-0.3 2,-0.5 -0.912 6.4-148.0-126.6 154.9 53.8 21.2 -17.2 73 80 A R E -FH 47 79A 83 -26,-2.7 -26,-2.2 -2,-0.3 6,-0.2 -0.997 17.7-144.8-122.6 123.3 55.9 18.1 -16.9 74 81 A L E > -F 46 0A 4 4,-3.0 3,-2.2 -2,-0.5 -28,-0.2 -0.453 26.2-109.3 -85.1 162.4 57.4 17.2 -13.6 75 82 A D T 3 S+ 0 0 127 -30,-2.2 -29,-0.1 1,-0.3 -1,-0.1 0.655 118.2 60.4 -68.4 -18.6 60.8 15.6 -13.1 76 83 A D T 3 S- 0 0 74 -31,-0.2 -1,-0.3 2,-0.1 -30,-0.1 0.332 123.7-104.6 -85.2 5.1 59.2 12.3 -12.0 77 84 A G S < S+ 0 0 44 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.266 77.1 134.3 93.6 -10.1 57.5 12.2 -15.5 78 85 A A - 0 0 17 -5,-0.1 -4,-3.0 240,-0.0 2,-0.3 -0.412 42.3-145.1 -71.8 146.0 53.9 13.2 -14.4 79 86 A A E -H 73 0A 5 -6,-0.2 41,-0.6 -2,-0.1 2,-0.4 -0.824 10.1-164.9-110.2 154.3 52.0 15.8 -16.4 80 87 A I E -HI 72 119A 0 -8,-2.2 -8,-2.6 -2,-0.3 2,-0.5 -0.980 9.3-151.4-137.8 126.9 49.6 18.5 -15.3 81 88 A Y E -HI 71 118A 13 37,-2.3 37,-2.0 -2,-0.4 2,-0.4 -0.848 19.0-158.9 -98.3 129.2 47.3 20.4 -17.6 82 89 A I E -HI 70 117A 0 -12,-3.3 -12,-1.9 -2,-0.5 2,-0.5 -0.938 21.5-174.4-120.6 127.2 46.4 23.8 -16.3 83 90 A E E -HI 69 116A 34 33,-2.4 33,-2.6 -2,-0.4 2,-0.5 -0.997 19.3-174.9-111.6 114.6 43.5 26.1 -17.2 84 91 A N E -HI 68 115A 9 -16,-2.2 -16,-2.7 -2,-0.5 2,-0.5 -0.960 3.3-179.4-120.5 112.1 44.2 29.4 -15.4 85 92 A N E +HI 67 114A 63 29,-2.1 29,-2.8 -2,-0.5 2,-0.3 -0.953 21.1 120.7-120.6 129.5 41.6 32.1 -15.5 86 93 A G E -HI 66 113A 9 -20,-2.5 -20,-2.8 -2,-0.5 2,-0.3 -0.854 45.3 -94.6-162.8-166.8 41.9 35.5 -13.9 87 94 A I E -HI 65 112A 14 25,-2.9 25,-1.9 -2,-0.3 2,-0.4 -0.928 12.1-165.4-133.7 154.4 42.0 39.2 -13.9 88 95 A R E +HI 64 111A 24 -24,-2.0 -24,-2.7 -2,-0.3 2,-0.3 -0.946 20.0 168.0-141.9 118.0 44.6 42.0 -14.0 89 96 A T E - I 0 110A 27 21,-2.3 21,-2.5 -2,-0.4 -26,-0.1 -0.832 15.5-161.3-125.2 162.4 43.6 45.5 -13.2 90 97 A V - 0 0 17 -2,-0.3 19,-0.1 19,-0.2 5,-0.1 -0.942 37.0 -85.2-134.0 157.5 45.5 48.8 -12.5 91 98 A P >> - 0 0 60 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.204 48.1-100.9 -58.8 159.4 44.5 52.1 -10.8 92 99 A D G >4 S+ 0 0 134 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.831 119.4 63.9 -54.7 -39.1 42.7 54.7 -12.8 93 100 A E G 34 S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.622 107.6 42.6 -62.1 -16.7 45.8 56.8 -13.3 94 101 A Y G <> S+ 0 0 66 -3,-2.4 4,-2.2 2,-0.1 -1,-0.3 0.449 85.7 95.4-107.9 -2.3 47.5 53.9 -15.2 95 102 A I H S+ 0 0 66 -4,-0.5 4,-1.3 1,-0.2 5,-0.3 0.866 110.3 52.6 -59.9 -34.8 45.5 55.0 -20.5 97 104 A A H >>S+ 0 0 12 1,-0.2 5,-3.5 2,-0.2 4,-0.8 0.935 105.0 53.8 -65.2 -45.0 49.0 53.5 -20.2 98 105 A V H <5S+ 0 0 33 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.778 107.1 57.0 -59.2 -23.1 47.6 50.0 -20.2 99 106 A K H <5S+ 0 0 23 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.882 114.2 29.2 -83.3 -50.1 45.7 50.9 -23.4 100 107 A S H <5S- 0 0 37 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.341 119.5-113.6 -74.1 -7.2 48.5 52.0 -25.9 101 108 A G T <5 + 0 0 52 -4,-0.8 -3,-0.2 -5,-0.3 2,-0.1 0.950 57.4 166.0 71.7 52.5 50.4 49.6 -23.8 102 109 A E < - 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