==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-08 2K5L . COMPND 2 MOLECULE: FEOA; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM ATCC 27405; . AUTHOR A.ZERI,K.K.SINGARAPU,J.L.MILLS,Y.WU,E.GARCIA,H.WANG,M.JIANG, . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 84.0 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 . 25 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1.2 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 1.2 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 . 19 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 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 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 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 131 0, 0.0 2,-0.6 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 117.6 -0.3 5.6 12.5 2 2 A F - 0 0 80 70,-0.1 70,-0.9 67,-0.1 2,-0.2 -0.944 360.0-178.9-109.4 113.0 -2.2 3.7 9.8 3 3 A S B > -A 71 0A 0 -2,-0.6 3,-1.3 68,-0.2 68,-0.2 -0.482 44.4-101.9-105.3 176.2 0.2 2.0 7.4 4 4 A L G > S+ 0 0 0 63,-1.8 3,-1.1 66,-1.0 64,-0.2 0.794 122.9 59.2 -67.5 -26.8 -0.2 -0.1 4.3 5 5 A R G 3 S+ 0 0 110 62,-1.3 -1,-0.3 1,-0.2 63,-0.1 0.530 92.8 67.5 -79.6 -6.4 0.5 -3.2 6.5 6 6 A D G < S+ 0 0 47 -3,-1.3 -1,-0.2 61,-0.3 2,-0.2 0.493 85.1 92.4 -88.7 -6.0 -2.5 -2.2 8.6 7 7 A A S < S- 0 0 4 -3,-1.1 2,-0.3 -4,-0.2 6,-0.0 -0.595 75.2-127.6 -88.1 151.1 -4.7 -3.0 5.7 8 8 A K > - 0 0 141 -2,-0.2 3,-2.1 1,-0.0 2,-0.7 -0.714 29.2 -99.3 -98.9 149.5 -6.3 -6.5 5.2 9 9 A C T 3 S+ 0 0 61 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.554 115.2 39.2 -69.7 110.6 -6.1 -8.6 2.0 10 10 A G T 3 S+ 0 0 46 31,-1.5 -1,-0.3 -2,-0.7 2,-0.2 0.217 96.5 101.7 128.0 -9.7 -9.4 -7.9 0.3 11 11 A Q < - 0 0 70 -3,-2.1 30,-1.8 30,-0.2 -1,-0.6 -0.584 66.6-126.8-101.0 165.7 -9.6 -4.2 1.2 12 12 A T E +B 40 0A 48 63,-0.2 63,-0.9 28,-0.2 2,-0.3 -0.964 29.6 176.3-118.1 121.0 -8.9 -1.2 -1.0 13 13 A V E -BC 39 74A 0 26,-2.7 26,-3.4 -2,-0.5 2,-0.4 -0.768 17.3-147.0-117.0 164.7 -6.5 1.5 0.2 14 14 A K E -BC 38 73A 72 59,-1.8 59,-2.2 -2,-0.3 2,-0.3 -0.999 22.5-118.2-133.5 137.5 -5.2 4.7 -1.3 15 15 A V E + C 0 72A 2 22,-2.2 21,-1.2 -2,-0.4 57,-0.3 -0.555 40.3 156.3 -77.1 131.1 -1.7 6.2 -0.8 16 16 A V E + 0 0 45 55,-2.6 2,-0.3 1,-0.5 56,-0.2 0.699 63.0 16.4-115.6 -58.1 -1.6 9.7 0.8 17 17 A K E - C 0 71A 112 54,-1.2 54,-2.0 17,-0.1 -1,-0.5 -0.792 58.1-148.7-118.0 160.5 1.8 10.1 2.5 18 18 A L E - C 0 70A 14 -2,-0.3 52,-0.2 52,-0.2 2,-0.1 -0.949 16.6-163.0-130.8 110.1 5.1 8.4 2.2 19 19 A H + 0 0 66 50,-1.4 2,-0.2 -2,-0.4 50,-0.1 -0.453 36.6 85.2 -86.8 163.7 7.2 8.3 5.3 20 20 A G S S- 0 0 31 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.724 88.7 -54.9 136.5 178.0 10.9 7.5 5.4 21 21 A T S S- 0 0 132 -2,-0.2 2,-2.3 1,-0.1 -1,-0.1 -0.007 77.1-105.9 -81.3 31.4 14.4 8.9 5.0 22 22 A G S > S+ 0 0 35 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.365 116.9 69.6 79.9 -61.4 13.6 10.3 1.6 23 23 A A H > S+ 0 0 77 -2,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.854 97.0 53.5 -57.4 -37.3 15.6 7.6 -0.3 24 24 A L H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 106.8 51.5 -62.7 -43.5 13.0 5.0 0.8 25 25 A K H > S+ 0 0 74 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.896 107.6 53.2 -60.2 -42.0 10.2 7.2 -0.7 26 26 A R H X S+ 0 0 176 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.895 109.5 47.8 -61.2 -42.6 12.1 7.5 -3.9 27 27 A R H X S+ 0 0 177 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.927 113.7 47.8 -64.1 -45.7 12.4 3.7 -4.1 28 28 A I H X>S+ 0 0 1 -4,-2.5 5,-1.3 1,-0.2 4,-0.6 0.944 115.3 44.0 -58.6 -50.2 8.7 3.3 -3.3 29 29 A M H ><5S+ 0 0 74 -4,-3.2 3,-0.5 1,-0.2 -1,-0.2 0.805 108.3 59.3 -67.8 -30.6 7.6 5.9 -5.9 30 30 A D H 3<5S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 101.5 53.8 -67.8 -35.1 10.0 4.5 -8.5 31 31 A M H 3<5S- 0 0 81 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.671 129.1 -94.9 -74.1 -17.7 8.3 1.1 -8.4 32 32 A G T <<5S+ 0 0 21 -4,-0.6 2,-1.0 -3,-0.5 -3,-0.2 0.111 85.9 129.7 124.2 -20.3 5.0 2.8 -9.1 33 33 A I < + 0 0 1 -5,-1.3 2,-0.3 -6,-0.2 -1,-0.3 -0.547 40.1 167.7 -69.9 102.9 3.7 3.2 -5.5 34 34 A T > - 0 0 35 -2,-1.0 3,-1.6 -3,-0.1 2,-0.8 -0.830 46.1 -90.7-126.8 156.3 2.7 6.8 -5.6 35 35 A R T 3 S+ 0 0 167 -2,-0.3 -19,-0.2 1,-0.3 3,-0.1 -0.524 116.7 21.4 -67.4 106.4 0.8 9.3 -3.6 36 36 A G T 3 S+ 0 0 51 -21,-1.2 -1,-0.3 -2,-0.8 2,-0.1 0.023 91.1 121.7 124.3 -26.2 -2.7 9.1 -4.9 37 37 A C < - 0 0 8 -3,-1.6 -22,-2.2 -5,-0.1 -1,-0.5 -0.411 61.6-122.7 -71.7 144.4 -2.6 5.7 -6.5 38 38 A E E -B 14 0A 135 -24,-0.2 2,-0.5 -2,-0.1 18,-0.5 -0.679 21.5-156.6 -88.3 141.3 -5.1 3.1 -5.3 39 39 A I E -B 13 0A 0 -26,-3.4 -26,-2.7 -2,-0.3 2,-0.8 -0.967 6.4-157.6-124.5 116.3 -3.9 -0.2 -4.0 40 40 A Y E -BD 12 54A 104 14,-1.5 14,-1.7 -2,-0.5 2,-0.6 -0.840 23.6-134.5 -91.0 108.8 -6.0 -3.3 -3.9 41 41 A I E + D 0 53A 0 -30,-1.8 -31,-1.5 -2,-0.8 12,-0.2 -0.529 30.6 175.2 -68.5 113.5 -4.5 -5.5 -1.2 42 42 A R E - 0 0 119 10,-1.9 2,-0.4 -2,-0.6 11,-0.2 0.949 58.7 -3.1 -89.0 -56.4 -4.3 -8.9 -2.8 43 43 A K E - D 0 52A 113 9,-2.1 9,-3.5 -34,-0.0 2,-0.6 -0.969 53.3-163.9-147.9 123.6 -2.6 -11.2 -0.4 44 44 A V E - D 0 51A 34 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.945 25.2-130.1-109.0 121.2 -1.0 -10.6 3.0 45 45 A A > - 0 0 16 5,-1.5 3,-2.3 -2,-0.6 -2,-0.0 -0.389 17.5-122.0 -67.3 145.5 1.4 -13.4 4.3 46 46 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.697 113.7 62.1 -61.8 -19.5 0.8 -14.6 7.9 47 47 A L T 3 S- 0 0 159 2,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.579 118.2-114.6 -79.2 -11.0 4.3 -13.6 8.7 48 48 A G S < S+ 0 0 25 -3,-2.3 -3,-0.1 2,-0.2 -1,-0.0 0.113 78.8 116.6 95.3 -19.3 3.4 -10.1 7.9 49 49 A D + 0 0 35 1,-0.2 -2,-0.3 -5,-0.1 14,-0.1 -0.996 54.1 22.9-144.6 141.7 5.7 -10.1 4.9 50 50 A P - 0 0 43 0, 0.0 -5,-1.5 0, 0.0 2,-0.6 0.631 66.5-155.3 -91.0 171.3 5.6 -9.9 2.0 51 51 A I E -DE 44 62A 2 11,-2.6 11,-3.3 -7,-0.2 2,-0.6 -0.908 8.1-147.0-107.7 117.4 2.4 -8.1 1.0 52 52 A Q E +DE 43 61A 43 -9,-3.5 -9,-2.1 -2,-0.6 -10,-1.9 -0.730 29.1 167.2 -84.3 121.5 1.0 -8.9 -2.4 53 53 A I E -DE 41 60A 0 7,-2.9 7,-2.9 -2,-0.6 2,-0.6 -0.955 33.8-134.7-135.7 151.3 -0.7 -5.8 -3.9 54 54 A N E +DE 40 59A 50 -14,-1.7 -14,-1.5 -2,-0.3 2,-0.4 -0.933 33.4 167.4-110.5 112.1 -1.9 -4.8 -7.3 55 55 A V E > - E 0 58A 4 3,-3.0 3,-2.4 -2,-0.6 -16,-0.1 -0.990 65.2 -7.3-130.0 131.0 -0.9 -1.2 -8.2 56 56 A R T 3 S- 0 0 155 -18,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.645 130.7 -55.5 62.7 15.7 -1.1 0.5 -11.6 57 57 A G T 3 S+ 0 0 65 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.320 116.8 113.5 98.9 -7.0 -2.1 -2.8 -13.1 58 58 A Y E < -E 55 0A 164 -3,-2.4 -3,-3.0 -26,-0.0 2,-0.7 -0.866 54.5-153.4-101.1 128.4 1.0 -4.6 -11.8 59 59 A E E +E 54 0A 113 -2,-0.5 -5,-0.3 -5,-0.3 2,-0.2 -0.890 35.6 146.1-103.5 114.7 0.5 -7.3 -9.1 60 60 A L E -E 53 0A 56 -7,-2.9 -7,-2.9 -2,-0.7 2,-0.5 -0.786 49.0-100.5-140.0 174.9 3.7 -7.5 -7.0 61 61 A S E -E 52 0A 72 -9,-0.3 2,-0.4 -2,-0.2 -9,-0.3 -0.927 30.0-162.2-107.9 124.0 5.0 -8.2 -3.5 62 62 A L E -E 51 0A 7 -11,-3.3 -11,-2.6 -2,-0.5 2,-0.1 -0.893 26.0-112.5-106.4 134.5 6.0 -5.2 -1.4 63 63 A R >> - 0 0 153 -2,-0.4 4,-2.4 -13,-0.2 3,-1.1 -0.403 18.0-128.8 -65.5 137.4 8.2 -5.7 1.6 64 64 A K H 3> S+ 0 0 72 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.800 107.0 70.4 -56.4 -29.9 6.5 -5.1 5.0 65 65 A S H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.913 108.9 33.0 -52.9 -46.2 9.4 -2.8 5.8 66 66 A A H X> S+ 0 0 10 -3,-1.1 3,-1.9 2,-0.2 4,-1.7 0.909 116.2 56.5 -76.1 -44.3 8.1 -0.4 3.2 67 67 A A H 3< S+ 0 0 0 -4,-2.4 -63,-1.8 1,-0.3 -62,-1.3 0.805 103.9 55.3 -57.3 -31.6 4.4 -1.2 3.9 68 68 A E T 3< S+ 0 0 80 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.593 113.0 41.7 -79.2 -11.0 4.9 -0.4 7.5 69 69 A M T <4 S+ 0 0 65 -3,-1.9 -50,-1.4 -5,-0.2 2,-0.3 0.599 92.6 98.0-109.9 -19.3 6.2 3.1 6.6 70 70 A I E < - C 0 18A 0 -4,-1.7 -66,-1.0 -52,-0.2 2,-0.7 -0.541 67.3-139.4 -75.8 134.9 3.7 3.9 3.8 71 71 A E E +AC 3 17A 40 -54,-2.0 -55,-2.6 -2,-0.3 -54,-1.2 -0.858 35.5 158.3 -99.2 112.9 0.8 6.1 4.8 72 72 A V E - C 0 15A 4 -70,-0.9 2,-0.4 -2,-0.7 -57,-0.2 -0.781 32.2-130.2-126.6 170.8 -2.5 5.0 3.2 73 73 A E E - C 0 14A 115 -59,-2.2 -59,-1.8 -2,-0.3 2,-1.4 -0.986 16.8-129.5-125.3 136.5 -6.2 5.3 3.8 74 74 A L E - C 0 13A 63 -2,-0.4 2,-0.8 -61,-0.2 -61,-0.2 -0.707 31.3-154.0 -80.2 93.0 -8.8 2.6 3.9 75 75 A E - 0 0 70 -2,-1.4 2,-0.7 -63,-0.9 -63,-0.2 -0.621 16.0-178.4 -77.3 111.0 -11.3 4.2 1.6 76 76 A H + 0 0 176 -2,-0.8 2,-0.3 -65,-0.1 -1,-0.1 -0.841 14.1 158.7-112.8 90.9 -14.7 2.9 2.4 77 77 A H - 0 0 116 -2,-0.7 2,-0.2 1,-0.0 -2,-0.0 -0.728 35.4-116.3-106.6 162.9 -17.2 4.4 -0.0 78 78 A H - 0 0 149 -2,-0.3 2,-0.3 1,-0.0 -1,-0.0 -0.580 21.7-116.5-100.1 162.1 -20.7 3.1 -0.9 79 79 A H + 0 0 169 -2,-0.2 2,-0.3 0, 0.0 -1,-0.0 -0.691 40.8 155.6 -96.3 150.4 -22.0 1.8 -4.2 80 80 A H 0 0 150 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.936 360.0 360.0-159.0 175.2 -24.9 3.4 -6.0 81 81 A H 0 0 250 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.923 360.0 360.0 -86.6 360.0 -26.6 3.9 -9.4