==== 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 HYDROLASE 16-OCT-08 3EXC . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.U.SINGER,T.SKARINA,K.TAN,O.KAGAN,O.ONOPRIYENKO,A.M.EDWARDS . 78 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 67.9 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 . 19 24.4 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 . 1 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 . 5 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 0 1 0 0 0 0 0 1 0 1 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 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X X 0 0 132 0, 0.0 38,-2.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 114.2 31.9 38.0 25.1 2 2 X K E -AB 38 66A 12 64,-2.8 64,-2.0 36,-0.2 2,-0.3 -0.656 360.0-156.4-110.0 171.2 29.4 35.1 25.5 3 3 X L E -AB 37 65A 0 34,-2.0 34,-1.7 62,-0.2 2,-0.4 -0.993 4.5-151.8-147.3 154.9 27.2 33.1 23.4 4 4 X L E -AB 36 64A 30 60,-2.3 60,-2.9 -2,-0.3 2,-0.5 -0.953 3.4-160.9-114.3 140.1 24.0 31.1 23.8 5 5 X V E -AB 35 63A 0 30,-2.4 30,-2.4 -2,-0.4 2,-0.5 -0.994 13.5-179.2-119.0 122.0 23.1 28.1 21.7 6 6 X V E -AB 34 62A 59 56,-2.1 56,-2.8 -2,-0.5 2,-0.3 -0.974 9.5-169.3-119.2 130.1 19.4 27.3 21.8 7 7 X Y E - B 0 61A 10 26,-2.5 2,-0.4 -2,-0.5 54,-0.2 -0.853 29.2-167.4-129.7 158.5 18.1 24.4 19.9 8 8 X D E + B 0 60A 88 52,-2.5 52,-1.6 -2,-0.3 2,-0.6 -0.875 27.1 170.5-137.8 90.0 14.8 22.7 18.8 9 9 X V - 0 0 4 -2,-0.4 6,-0.2 50,-0.2 50,-0.1 -0.938 20.5-163.7-113.9 111.7 15.9 19.3 17.6 10 10 X S + 0 0 86 -2,-0.6 2,-0.5 45,-0.1 -1,-0.2 0.949 69.9 77.4 -60.3 -57.3 13.1 16.8 16.8 11 11 X D S >> S- 0 0 75 1,-0.2 4,-2.5 2,-0.1 3,-0.6 -0.422 73.1-146.7 -60.5 110.1 15.1 13.5 16.7 12 12 X D H 3> S+ 0 0 117 -2,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.813 98.7 50.0 -38.7 -43.3 15.8 12.4 20.4 13 13 X S H 3> S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.862 108.5 49.2 -75.3 -37.7 19.0 10.9 19.4 14 14 X K H <> S+ 0 0 65 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.877 104.5 63.1 -66.8 -38.6 20.3 13.9 17.4 15 15 X R H X S+ 0 0 27 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.906 108.2 38.6 -56.1 -43.8 19.4 16.1 20.4 16 16 X N H X S+ 0 0 84 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.826 108.8 59.4 -88.3 -19.9 21.9 14.4 22.7 17 17 X K H X S+ 0 0 126 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.932 111.7 45.0 -52.6 -47.4 24.6 14.0 20.2 18 18 X L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.959 112.3 49.3 -63.5 -49.2 24.4 17.8 20.0 19 19 X A H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.911 112.6 50.1 -54.1 -44.9 24.3 18.3 23.8 20 20 X N H X S+ 0 0 92 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.886 113.0 45.2 -62.8 -43.8 27.3 16.0 24.0 21 21 X N H X S+ 0 0 40 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.867 108.3 55.0 -70.6 -39.6 29.2 17.9 21.4 22 22 X L H <>S+ 0 0 0 -4,-3.0 5,-2.2 2,-0.2 -2,-0.2 0.898 109.1 49.3 -56.1 -42.4 28.4 21.3 22.8 23 23 X K H ><5S+ 0 0 100 -4,-2.0 3,-2.6 -5,-0.2 -2,-0.2 0.958 107.8 55.6 -61.6 -45.2 29.9 20.1 26.2 24 24 X K H 3<5S+ 0 0 165 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.855 103.4 52.7 -57.4 -37.6 33.0 18.9 24.4 25 25 X L T 3<5S- 0 0 48 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.244 128.1-102.2 -77.6 9.0 33.6 22.3 22.8 26 26 X G T < 5S+ 0 0 51 -3,-2.6 12,-0.2 1,-0.2 -3,-0.2 0.494 75.2 139.2 79.5 9.1 33.4 23.7 26.5 27 27 X L < - 0 0 4 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.530 45.2-132.5 -77.6 160.3 29.8 25.2 26.5 28 28 X E E -C 36 0A 130 8,-3.3 8,-2.2 -2,-0.1 2,-0.2 -0.924 14.8-115.6-118.2 136.3 27.8 24.6 29.7 29 29 X R E +C 35 0A 105 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.432 34.9 167.4 -68.5 130.8 24.2 23.4 29.9 30 30 X I E - 0 0 69 4,-2.1 2,-0.3 1,-0.4 5,-0.2 0.560 68.8 -3.2-111.7 -21.4 21.8 26.0 31.3 31 31 X Q E > S-C 34 0A 129 3,-1.5 3,-1.6 1,-0.0 -1,-0.4 -0.956 91.0 -75.4-155.3 176.7 18.5 24.3 30.4 32 32 X R T 3 S+ 0 0 168 -2,-0.3 -3,-0.0 1,-0.3 3,-0.0 0.772 128.9 15.7 -51.4 -35.0 17.2 21.3 28.5 33 33 X S T 3 S+ 0 0 19 -25,-0.0 -26,-2.5 -14,-0.0 2,-0.3 -0.053 113.8 78.0-133.5 43.2 17.9 22.8 25.1 34 34 X A E < -AC 6 31A 5 -3,-1.6 -4,-2.1 -28,-0.2 -3,-1.5 -0.994 45.8-179.7-152.6 140.1 20.3 25.7 25.7 35 35 X F E -AC 5 29A 0 -30,-2.4 -30,-2.4 -2,-0.3 2,-0.3 -0.939 8.2-159.7-134.6 156.0 23.9 26.1 26.5 36 36 X E E +AC 4 28A 28 -8,-2.2 -8,-3.3 -2,-0.3 2,-0.3 -0.954 19.6 152.0-133.3 157.9 26.2 29.1 27.1 37 37 X G E -A 3 0A 5 -34,-1.7 -34,-2.0 -2,-0.3 2,-0.4 -0.957 40.5 -82.3-168.1 177.5 29.9 29.5 26.9 38 38 X D E -A 2 0A 100 -2,-0.3 -36,-0.2 -12,-0.2 2,-0.1 -0.785 45.5 -97.8 -98.8 138.1 32.7 32.0 26.2 39 39 X X 0 0 86 -38,-2.0 -1,-0.1 -2,-0.4 -37,-0.0 -0.302 360.0 360.0 -33.6 119.6 34.0 33.3 22.9 40 40 X D 0 0 141 -2,-0.1 -1,-0.1 -3,-0.0 -2,-0.0 0.040 360.0 360.0-123.4 360.0 37.2 31.3 22.0 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 43 X R > 0 0 65 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -54.5 36.0 28.1 17.7 43 44 X X H > + 0 0 82 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.918 360.0 47.5 -52.2 -53.0 33.1 29.9 16.0 44 45 X K H > S+ 0 0 172 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.839 113.8 49.1 -60.1 -35.9 33.6 28.3 12.6 45 46 X D H > S+ 0 0 85 -3,-0.4 4,-2.9 2,-0.2 -1,-0.3 0.857 107.1 55.4 -68.6 -40.5 33.8 24.9 14.3 46 47 X L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.937 110.3 44.7 -54.2 -52.8 30.7 25.5 16.4 47 48 X V H X S+ 0 0 47 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.929 112.8 51.1 -62.6 -43.6 28.6 26.2 13.3 48 49 X R H X S+ 0 0 163 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.953 110.8 50.0 -60.9 -46.6 30.1 23.2 11.5 49 50 X V H X S+ 0 0 26 -4,-2.9 4,-1.7 1,-0.2 5,-0.2 0.940 112.0 45.9 -55.9 -50.5 29.3 20.9 14.4 50 51 X V H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.963 113.3 49.4 -60.2 -49.9 25.7 22.1 14.7 51 52 X K H < S+ 0 0 140 -4,-2.8 5,-0.3 1,-0.2 -1,-0.2 0.857 110.6 50.1 -57.7 -36.2 25.1 21.8 10.9 52 53 X L H < S+ 0 0 135 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.847 117.3 40.1 -74.3 -29.7 26.5 18.2 10.7 53 54 X I H < S+ 0 0 21 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.884 104.2 64.2 -89.4 -45.1 24.4 17.0 13.6 54 55 X V S < S- 0 0 14 -4,-2.4 2,-0.9 -5,-0.2 -45,-0.1 -0.471 85.8-109.7 -84.4 159.2 21.0 18.5 13.2 55 56 X D >> - 0 0 52 1,-0.1 4,-3.4 -2,-0.1 3,-1.3 -0.784 28.9-157.7 -80.6 107.1 18.5 18.0 10.4 56 57 X T T 34 S+ 0 0 97 -2,-0.9 -1,-0.1 -5,-0.3 -2,-0.0 0.582 87.2 53.4 -66.2 -11.5 18.6 21.3 8.6 57 58 X N T 34 S+ 0 0 152 1,-0.0 -1,-0.2 3,-0.0 3,-0.0 0.663 125.9 22.0 -90.5 -13.6 15.1 21.0 7.0 58 59 X T T <4 S+ 0 0 71 -3,-1.3 -2,-0.2 -50,-0.0 2,-0.2 0.612 110.1 69.4-125.7 -40.9 13.5 20.2 10.3 59 60 X D < - 0 0 14 -4,-3.4 2,-0.4 -50,-0.1 -50,-0.2 -0.490 57.2-152.5 -95.5 164.8 15.5 21.5 13.2 60 61 X I E +B 8 0A 89 -52,-1.6 -52,-2.5 -2,-0.2 2,-0.4 -0.990 12.3 178.3-137.6 133.8 16.3 25.1 14.4 61 62 X V E -B 7 0A 35 -2,-0.4 2,-0.5 -54,-0.2 -54,-0.2 -0.999 11.6-157.9-135.5 131.4 19.4 26.2 16.3 62 63 X H E -B 6 0A 108 -56,-2.8 -56,-2.1 -2,-0.4 2,-0.6 -0.936 2.3-166.5-110.2 129.1 20.1 29.8 17.3 63 64 X I E -B 5 0A 49 -2,-0.5 -58,-0.2 -58,-0.2 -2,-0.0 -0.977 18.7-177.0-116.2 113.7 23.6 30.9 18.0 64 65 X I E -B 4 0A 65 -60,-2.9 -60,-2.3 -2,-0.6 2,-0.2 -0.963 18.0-147.0-124.3 117.7 23.4 34.2 19.7 65 66 X P E +B 3 0A 77 0, 0.0 2,-0.3 0, 0.0 -62,-0.2 -0.591 24.6 173.2 -77.3 140.8 26.3 36.5 20.9 66 67 X L E -B 2 0A 31 -64,-2.0 -64,-2.8 -2,-0.2 2,-0.2 -0.981 33.3-105.8-143.4 160.3 25.8 38.6 24.0 67 68 X G > - 0 0 15 -2,-0.3 4,-2.1 -66,-0.2 5,-0.2 -0.480 34.1-115.3 -77.0 154.2 27.9 40.8 26.2 68 69 X I H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 115.6 53.3 -54.0 -43.0 29.0 39.5 29.5 69 70 X R H > S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 106.7 52.1 -68.9 -35.0 26.9 42.2 31.4 70 71 X D H 4 S+ 0 0 114 2,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.894 112.1 46.1 -63.6 -42.8 23.7 41.2 29.5 71 72 X W H >< S+ 0 0 31 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.950 111.4 52.8 -63.3 -46.3 24.2 37.6 30.4 72 73 X E H 3< S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.868 107.3 52.1 -55.1 -38.0 25.0 38.6 34.1 73 74 X R T 3< S+ 0 0 189 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.320 82.2 123.2 -89.8 11.8 21.8 40.5 34.3 74 75 X R < - 0 0 117 -3,-2.0 2,-0.4 -4,-0.1 -3,-0.1 -0.203 59.3-131.5 -57.1 160.1 19.6 37.7 33.1 75 76 X I - 0 0 148 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.990 19.1-161.6-110.6 126.9 16.7 36.6 35.3 76 77 X V - 0 0 104 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.946 2.2-162.5-112.2 125.6 16.5 32.9 35.9 77 78 X I + 0 0 155 -2,-0.5 2,-0.1 2,-0.0 -2,-0.0 -0.894 49.0 1.2-104.4 135.0 13.2 31.4 37.2 78 79 X G 0 0 64 -2,-0.5 -2,-0.0 0, 0.0 0, 0.0 -0.236 360.0 360.0 95.4-168.4 13.0 28.0 38.7 79 80 X R 0 0 275 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.391 360.0 360.0 -48.3 360.0 15.3 25.0 39.6