==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-APR-05 1Z9G . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR S.L.RODERICK,M.C.FOURNIE-ZALUSKI,B.P.ROQUES,B.W.MATTHEWS . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 1 5 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 E I 0 0 87 0, 0.0 2,-0.7 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 114.7 8.4 52.3 0.2 2 2 E T + 0 0 135 21,-0.1 2,-0.3 23,-0.1 21,-0.0 -0.845 360.0 97.1 -97.3 123.3 6.3 55.5 0.7 3 3 E G S S- 0 0 39 -2,-0.7 2,-0.5 22,-0.0 22,-0.2 -0.911 71.1 -43.0-173.0-159.7 6.4 56.7 4.3 4 4 E T E -A 24 0A 78 20,-2.8 20,-3.1 -2,-0.3 2,-0.2 -0.776 49.4-125.6 -95.2 127.7 7.8 59.0 6.8 5 5 E S E +A 23 0A 67 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.494 44.7 152.5 -67.9 133.4 11.7 59.6 7.0 6 6 E T E -A 22 0A 39 16,-2.0 16,-1.9 -2,-0.2 2,-0.5 -0.796 40.9-107.6-146.3-173.8 13.1 58.9 10.5 7 7 E V E -A 21 0A 84 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.959 26.8-170.8-129.9 123.4 16.2 57.9 12.1 8 8 E G E -A 20 0A 2 12,-2.8 12,-3.5 -2,-0.5 2,-0.3 -0.538 14.5-135.7-103.7 171.6 17.0 54.5 13.7 9 9 E V E +Ab 19 61A 28 51,-1.4 53,-2.8 10,-0.3 2,-0.3 -0.936 30.8 154.4-125.1 147.1 20.0 53.3 15.9 10 10 E G E -Ab 18 62A 0 8,-2.5 8,-2.4 -2,-0.3 2,-0.4 -0.917 39.2-107.3-156.8-177.1 21.9 50.0 15.5 11 11 E R E -A 17 0A 103 51,-1.9 6,-0.3 -2,-0.3 60,-0.2 -0.987 33.4-138.8-124.8 132.6 25.2 48.2 16.1 12 12 E G > - 0 0 4 4,-3.1 3,-2.4 -2,-0.4 56,-0.2 -0.127 36.2 -84.7 -84.5-179.6 27.5 47.3 13.3 13 13 E V T 3 S+ 0 0 31 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.893 129.9 50.4 -50.0 -44.1 29.6 44.2 12.5 14 14 E L T 3 S- 0 0 83 54,-0.1 -1,-0.3 121,-0.1 121,-0.0 0.356 122.8-104.0 -80.1 4.3 32.4 45.5 14.7 15 15 E G S < S+ 0 0 49 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.509 73.9 141.4 87.2 3.7 30.1 46.3 17.7 16 16 E D - 0 0 58 1,-0.0 -4,-3.1 -5,-0.0 2,-0.4 -0.644 49.2-127.7 -84.2 139.5 29.9 50.0 17.1 17 17 E Q E +A 11 0A 128 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.2 -0.707 36.7 163.6 -88.6 131.1 26.7 52.0 17.6 18 18 E K E -A 10 0A 17 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.3 -0.982 35.6-118.0-146.0 160.5 25.5 54.3 14.8 19 19 E N E -A 9 0A 107 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.764 31.3-164.5 -97.6 142.0 22.4 56.1 13.7 20 20 E I E -A 8 0A 3 -12,-3.5 -12,-2.8 -2,-0.3 2,-0.5 -0.947 23.6-112.7-131.3 153.7 20.9 55.1 10.4 21 21 E N E +A 7 0A 39 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.729 46.1 170.3 -83.4 118.3 18.4 56.8 8.0 22 22 E T E -A 6 0A 1 -16,-1.9 -16,-2.0 -2,-0.5 2,-0.4 -0.622 27.8-128.0-123.0 176.6 15.2 54.7 7.9 23 23 E T E -AC 5 29A 0 6,-1.5 6,-3.0 -18,-0.2 2,-0.6 -0.999 17.3-141.5-132.7 131.5 11.5 55.0 6.5 24 24 E Y E +AC 4 28A 94 -20,-3.1 -20,-2.8 -2,-0.4 4,-0.2 -0.868 41.2 135.8-107.9 121.9 8.4 54.4 8.4 25 25 E S S S- 0 0 45 2,-2.5 2,-2.3 -2,-0.6 -23,-0.1 -0.650 93.7 -50.8-158.9 80.4 5.3 52.7 6.9 26 26 E T S S+ 0 0 124 -2,-0.1 2,-0.2 32,-0.0 -2,-0.0 -0.386 139.1 39.3 78.0 -54.7 3.9 50.2 9.5 27 27 E Y S S- 0 0 116 -2,-2.3 -2,-2.5 32,-0.0 2,-0.6 -0.696 96.4-110.7-107.2 169.2 7.4 48.7 9.8 28 28 E Y E -CD 24 57A 53 29,-3.1 29,-2.3 -2,-0.2 2,-0.3 -0.885 39.8-158.7 -98.3 123.6 10.7 50.7 9.8 29 29 E Y E -CD 23 56A 42 -6,-3.0 2,-2.0 -2,-0.6 -6,-1.5 -0.769 27.8-116.6-105.1 157.0 12.6 50.0 6.6 30 30 E L S S+ 0 0 0 25,-2.1 11,-2.3 11,-0.3 2,-0.4 -0.537 72.1 125.8 -84.0 76.4 16.3 50.4 5.6 31 31 E Q E -E 40 0B 10 -2,-2.0 2,-0.7 9,-0.2 9,-0.2 -0.969 46.0-158.8-139.7 117.0 15.5 53.1 3.0 32 32 E D E > -E 39 0B 2 7,-2.8 7,-1.6 -2,-0.4 3,-0.5 -0.894 10.3-178.5-103.6 111.1 17.4 56.4 3.3 33 33 E N T 3 + 0 0 63 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.0 0.475 67.5 81.0 -89.0 -1.6 15.5 59.2 1.5 34 34 E T T 3 S+ 0 0 89 1,-0.1 2,-0.4 5,-0.1 -1,-0.2 0.524 83.4 62.2 -79.9 -10.3 18.1 61.8 2.2 35 35 E R S X S- 0 0 46 -3,-0.5 3,-2.3 1,-0.1 -1,-0.1 -0.967 110.1 -62.8-130.4 116.2 20.5 60.9 -0.5 36 36 E G T 3 S- 0 0 26 -2,-0.4 62,-0.1 1,-0.3 3,-0.1 -0.148 115.5 -18.4 51.4-142.1 19.7 61.1 -4.3 37 37 E D T 3 S- 0 0 111 60,-2.4 -1,-0.3 1,-0.2 62,-0.2 0.181 119.8 -84.4 -78.6 18.0 16.9 58.7 -5.3 38 38 E G < - 0 0 2 -3,-2.3 62,-2.2 60,-0.1 2,-0.5 0.049 28.8-105.0 101.6 159.2 17.6 56.8 -1.9 39 39 E I E -Ef 32 100B 0 -7,-1.6 -7,-2.8 60,-0.2 2,-0.4 -0.991 37.2-169.3-119.5 126.9 19.8 54.1 -0.4 40 40 E F E -Ef 31 101B 22 60,-2.6 62,-2.1 -2,-0.5 2,-0.5 -0.976 7.8-160.5-125.5 124.9 18.0 50.7 0.0 41 41 E T E - f 0 102B 0 -11,-2.3 14,-2.9 -2,-0.4 -11,-0.3 -0.913 11.7-162.1-113.9 129.7 19.2 47.7 1.9 42 42 E Y E -Gf 54 103B 26 60,-3.1 62,-2.3 -2,-0.5 2,-0.6 -0.792 20.5-130.0-115.1 150.3 17.9 44.2 1.4 43 43 E D E -Gf 53 104B 25 10,-2.4 10,-2.0 -2,-0.3 62,-0.2 -0.872 16.2-175.1 -91.0 109.8 17.8 40.8 3.2 44 44 E A > - 0 0 4 60,-2.6 3,-2.1 -2,-0.6 5,-0.3 0.556 30.1-142.9 -87.0 -4.3 19.0 38.0 0.8 45 45 E K T 3 - 0 0 107 59,-0.3 61,-0.2 1,-0.3 60,-0.1 0.782 60.3 -58.9 51.5 40.4 18.2 35.5 3.7 46 46 E Y T 3 S+ 0 0 109 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.545 114.8 112.1 65.8 15.5 21.1 33.1 3.0 47 47 E R S < S- 0 0 183 -3,-2.1 60,-2.2 58,-0.3 -1,-0.3 -0.534 70.8-130.8-107.0 179.7 19.9 32.6 -0.5 48 48 E T S S+ 0 0 86 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.316 71.6 109.7-112.2 2.4 21.4 33.6 -3.9 49 49 E T S S- 0 0 107 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.675 72.7 -97.3 -82.9 131.2 18.3 35.1 -5.4 50 50 E L S S- 0 0 57 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.896 80.4 -6.0-120.1 147.9 18.6 38.9 -5.6 51 51 E P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.990 77.9-163.6 -83.3 -14.3 17.9 41.4 -4.2 52 52 E G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.742 48.1 -25.9 102.9-151.7 15.8 39.7 -1.6 53 53 E S E -G 43 0B 49 -10,-2.0 -10,-2.4 -2,-0.3 -8,-0.1 -0.883 67.3-105.8-104.0 139.6 13.3 41.6 0.6 54 54 E L E -G 42 0B 35 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.312 56.2 -96.4 -55.9 136.7 13.7 45.3 1.4 55 55 E W - 0 0 11 -14,-2.9 -25,-2.1 -25,-0.3 2,-0.3 -0.444 48.6-175.3 -68.8 126.3 14.8 45.2 5.0 56 56 E A E +D 29 0A 45 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.911 8.6 176.7-123.5 139.3 12.0 45.7 7.6 57 57 E D E -D 28 0A 24 -29,-2.3 -29,-3.1 -2,-0.3 3,-0.2 -0.993 25.9-139.1-139.9 143.5 12.2 46.0 11.4 58 58 E A S S+ 0 0 70 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.794 93.2 26.4 -76.0 -31.2 9.5 46.6 13.8 59 59 E D S S- 0 0 92 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.342 95.4-114.4-118.9 8.4 10.9 49.0 16.3 60 60 E N S S+ 0 0 21 1,-0.2 -51,-1.4 -3,-0.2 2,-0.4 0.684 81.5 116.1 66.0 16.1 13.7 51.0 14.5 61 61 E Q E -b 9 0A 93 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.986 45.3-169.9-115.1 123.4 16.4 49.4 16.8 62 62 E F E +b 10 0A 0 -53,-2.8 -51,-1.9 -2,-0.4 9,-0.1 -0.506 41.2 124.1-116.6 64.8 19.0 47.3 15.0 63 63 E F + 0 0 72 -2,-0.3 2,-0.2 -53,-0.2 -1,-0.1 0.304 38.6 107.8-101.9 6.8 20.9 45.5 17.8 64 64 E A S >> S- 0 0 51 -3,-0.2 3,-1.4 1,-0.1 4,-1.2 -0.570 76.5-121.0 -83.2 153.1 20.4 41.9 16.8 65 65 E S T 34 S+ 0 0 116 1,-0.3 3,-0.4 -2,-0.2 -1,-0.1 0.897 116.1 56.1 -61.9 -34.2 23.4 40.0 15.4 66 66 E Y T 34 S+ 0 0 69 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.746 104.4 56.3 -63.5 -26.0 21.5 39.3 12.3 67 67 E D T X> S+ 0 0 17 -3,-1.4 4,-2.0 1,-0.2 3,-1.3 0.808 84.9 85.5 -71.6 -36.2 21.0 43.2 11.9 68 68 E A H 3X S+ 0 0 14 -4,-1.2 4,-2.0 -3,-0.4 -55,-0.6 0.763 88.1 45.2 -38.3 -57.6 24.8 44.0 12.0 69 69 E P H 3> S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.799 114.2 49.4 -64.0 -31.3 25.7 43.6 8.3 70 70 E A H <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.3 -2,-0.2 0.893 107.9 54.2 -74.6 -40.1 22.7 45.4 7.1 71 71 E V H X S+ 0 0 0 -4,-2.0 4,-3.1 -60,-0.2 5,-0.2 0.946 114.8 41.2 -53.4 -49.7 23.4 48.4 9.5 72 72 E D H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.906 113.6 49.6 -71.8 -41.8 26.9 48.7 8.1 73 73 E A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.894 116.5 46.6 -62.4 -38.0 26.1 48.2 4.4 74 74 E H H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.970 118.5 37.9 -66.4 -57.7 23.3 50.8 4.9 75 75 E Y H X S+ 0 0 92 -4,-3.1 4,-2.1 1,-0.2 3,-0.2 0.912 116.1 52.3 -64.6 -42.3 25.5 53.4 6.7 76 76 E Y H X S+ 0 0 9 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.805 105.5 53.5 -66.0 -33.6 28.7 52.8 4.7 77 77 E A H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.859 108.0 54.0 -68.5 -30.0 26.9 53.3 1.4 78 78 E G H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.970 108.8 47.0 -60.9 -58.1 25.7 56.7 2.9 79 79 E V H X S+ 0 0 17 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.837 112.6 49.5 -51.9 -43.5 29.2 57.8 3.7 80 80 E T H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.869 109.0 51.5 -64.6 -42.6 30.5 56.8 0.2 81 81 E Y H X S+ 0 0 13 -4,-2.0 4,-1.9 1,-0.2 11,-0.2 0.934 112.9 48.2 -60.9 -44.5 27.6 58.7 -1.5 82 82 E D H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.883 107.0 53.6 -65.2 -39.2 28.6 61.7 0.6 83 83 E Y H X>S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 5,-0.8 0.966 111.6 45.9 -61.2 -50.8 32.3 61.4 -0.2 84 84 E Y H X5S+ 0 0 3 -4,-2.3 6,-2.7 3,-0.2 4,-0.6 0.851 117.2 43.8 -61.2 -33.7 31.5 61.5 -4.0 85 85 E K H X5S+ 0 0 93 -4,-1.9 4,-1.5 4,-0.3 -2,-0.2 0.980 119.8 39.1 -72.3 -55.6 29.2 64.3 -3.7 86 86 E N H <5S+ 0 0 96 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.811 127.0 32.0 -63.0 -42.1 31.2 66.5 -1.3 87 87 E V H <5S+ 0 0 54 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.835 136.4 17.8 -91.4 -41.0 34.6 65.8 -2.8 88 88 E H H < - 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