==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-DEC-08 2ZWO . COMPND 2 MOLECULE: TK-SUBTILISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARAENSIS; . AUTHOR Y.TAKEUCHI,S.TANAKA,H.MATSUMURA,Y.KOGA,K.TAKANO,S.KANAYA . 1177 5 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 812 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 12 1.0 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-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 0.1 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 . 97 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.9 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 4 5 3 0 3 3 3 0 3 3 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 11 3 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 PARALLEL BRIDGES PER LADDER . 15 7 3 3 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 6 2 1 0 0 0 0 0 3 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 4 A N 0 0 155 0, 0.0 41,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -59.6 45.7 40.7 6.1 2 5 A T E -A 41 0A 61 39,-0.2 2,-0.4 40,-0.1 22,-0.0 -0.936 360.0-161.6-105.9 147.7 45.1 37.7 8.5 3 6 A I E -A 40 0A 28 37,-3.8 37,-2.4 -2,-0.4 2,-0.3 -0.996 14.9-129.5-128.3 137.9 41.7 35.9 8.7 4 7 A R E +A 39 0A 57 -2,-0.4 56,-1.0 35,-0.2 2,-0.3 -0.601 34.4 166.5 -83.0 137.4 40.2 33.6 11.4 5 8 A V E -AB 38 59A 0 33,-2.5 33,-2.7 -2,-0.3 2,-0.6 -0.918 31.0-134.3-154.7 146.9 38.8 30.4 10.2 6 9 A I E -AB 37 58A 0 52,-3.5 52,-1.3 -2,-0.3 2,-0.4 -0.925 21.7-158.2-120.7 114.4 37.7 27.2 12.0 7 10 A V E -AB 36 57A 0 29,-2.7 29,-3.1 -2,-0.6 2,-0.5 -0.689 9.8-146.4 -97.5 134.8 38.9 24.1 10.4 8 11 A S E -AB 35 56A 19 48,-2.5 47,-2.0 -2,-0.4 48,-1.3 -0.874 36.2-172.3 -94.6 120.3 37.3 20.7 10.9 9 12 A V E - B 0 54A 4 25,-2.2 2,-0.9 -2,-0.5 45,-0.2 -0.863 43.2-119.2-123.0 150.4 40.1 18.1 10.9 10 13 A D >> - 0 0 56 43,-3.0 4,-2.3 -2,-0.3 3,-0.6 -0.822 33.9-156.5 -63.4 99.2 41.1 14.4 10.8 11 14 A K T 34 S+ 0 0 95 -2,-0.9 -1,-0.1 1,-0.3 43,-0.0 0.764 90.0 59.4 -62.0 -23.1 43.0 14.8 14.1 12 15 A A T 34 S+ 0 0 94 1,-0.2 -1,-0.3 41,-0.1 -2,-0.0 0.906 117.3 27.5 -63.0 -50.5 45.1 11.7 13.0 13 16 A K T <4 S+ 0 0 138 -3,-0.6 2,-0.3 40,-0.2 -2,-0.2 0.636 98.2 103.8 -86.2 -19.2 46.3 13.4 9.7 14 17 A F < - 0 0 21 -4,-2.3 39,-0.2 39,-0.2 -5,-0.0 -0.496 44.6-173.1 -88.6 127.4 46.3 17.1 10.7 15 18 A N > - 0 0 68 37,-0.7 3,-1.2 -2,-0.3 4,-0.5 -0.941 17.0-155.1-120.6 116.4 49.6 19.0 11.6 16 19 A P T >> S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.725 91.9 68.7 -60.2 -25.3 49.4 22.6 13.0 17 20 A H H 3> S+ 0 0 127 1,-0.2 4,-4.7 2,-0.2 5,-0.2 0.913 88.6 66.9 -60.6 -38.3 53.0 23.4 11.7 18 21 A E H <> S+ 0 0 87 -3,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.835 105.7 40.2 -44.9 -47.7 51.5 23.2 8.2 19 22 A V H <4>S+ 0 0 0 -3,-0.6 5,-3.0 -4,-0.5 -1,-0.2 0.870 114.4 52.5 -73.6 -33.6 49.5 26.4 9.0 20 23 A L H ><5S+ 0 0 74 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.959 106.3 56.3 -64.3 -43.8 52.4 28.0 10.8 21 24 A G H 3<5S+ 0 0 67 -4,-4.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 102.6 53.0 -51.7 -44.3 54.4 27.2 7.7 22 25 A I T 3<5S- 0 0 41 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.167 132.2 -90.4 -83.4 21.6 52.0 29.2 5.5 23 26 A G T < 5S+ 0 0 42 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.413 89.3 129.3 83.8 0.9 52.3 32.2 7.7 24 27 A G < - 0 0 4 -5,-3.0 2,-0.3 -6,-0.2 16,-0.2 0.053 47.5-137.0 -78.0-173.5 49.4 31.2 10.0 25 28 A H E -C 39 0A 104 14,-2.0 14,-1.9 0, 0.0 2,-0.5 -0.985 16.5-121.8-145.7 146.9 48.8 30.8 13.8 26 29 A I E +C 38 0A 48 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.813 28.8 176.1 -98.3 123.7 47.1 28.2 15.9 27 30 A V E - 0 0 28 10,-3.4 2,-0.3 -2,-0.5 11,-0.2 0.853 61.5 -14.0 -92.8 -47.9 44.3 29.8 18.0 28 31 A Y E -C 37 0A 17 9,-1.6 9,-2.5 108,-0.1 2,-0.6 -0.900 48.3-150.2-165.1 124.5 42.6 26.9 19.8 29 32 A Q E -C 36 0A 93 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.903 33.9-124.6-100.2 116.4 42.6 23.2 19.5 30 33 A F - 0 0 7 5,-2.2 5,-0.3 -2,-0.6 165,-0.0 -0.503 13.9-158.0 -67.6 136.7 39.3 21.9 20.6 31 34 A K S S+ 0 0 122 -2,-0.2 -1,-0.1 1,-0.2 177,-0.1 0.761 91.3 33.5 -74.9 -28.2 39.3 19.3 23.3 32 35 A L S S+ 0 0 38 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.484 117.4 42.5-121.2 -18.4 35.9 17.9 22.5 33 36 A I S S- 0 0 9 2,-0.2 2,-2.1 214,-0.0 -3,-0.1 -0.975 86.2-110.4-129.5 149.7 35.4 18.2 18.7 34 37 A P S S+ 0 0 70 0, 0.0 -25,-2.2 0, 0.0 2,-0.3 -0.535 81.3 107.4 -76.9 75.9 38.0 17.4 16.0 35 38 A A E -A 8 0A 0 -2,-2.1 -5,-2.2 -5,-0.3 2,-0.4 -0.989 49.6-156.5-150.3 157.5 38.4 21.1 15.0 36 39 A V E -AC 7 29A 0 -29,-3.1 -29,-2.7 -2,-0.3 2,-0.5 -0.991 15.7-135.7-150.0 126.0 40.8 24.0 15.3 37 40 A V E +AC 6 28A 0 -9,-2.5 -10,-3.4 -2,-0.4 -9,-1.6 -0.806 37.1 175.1 -72.6 128.0 40.6 27.8 15.2 38 41 A V E -AC 5 26A 0 -33,-2.7 -33,-2.5 -2,-0.5 2,-0.5 -0.871 33.6-137.8-135.4 151.3 43.3 29.3 13.1 39 42 A D E +AC 4 25A 23 -14,-1.9 -14,-2.0 -2,-0.3 -35,-0.2 -0.992 31.5 172.7-103.5 120.3 44.5 32.6 11.7 40 43 A V E -A 3 0A 0 -37,-2.4 -37,-3.8 -2,-0.5 2,-0.2 -0.911 38.5-107.7-121.2 144.7 45.6 32.4 8.0 41 44 A P E > -A 2 0A 24 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.540 45.6-103.8 -58.9 149.8 46.6 35.2 5.6 42 45 A A G > S+ 0 0 6 -41,-0.9 3,-1.1 1,-0.2 4,-0.2 0.837 118.5 50.9 -44.1 -45.5 43.8 35.6 3.0 43 46 A N G 3 S+ 0 0 104 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.518 100.8 64.1 -67.2 -14.9 45.7 33.8 0.1 44 47 A A G <> S+ 0 0 3 -3,-1.8 4,-3.4 1,-0.2 -1,-0.2 0.558 74.4 87.2 -89.0 -12.7 46.5 30.8 2.2 45 48 A V H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.5 -1,-0.2 0.853 89.3 53.9 -60.3 -29.9 42.9 29.8 2.6 46 49 A G H > S+ 0 0 34 -3,-0.3 4,-0.5 -4,-0.2 -1,-0.2 0.969 111.7 42.1 -59.2 -61.3 43.3 28.0 -0.6 47 50 A K H >4 S+ 0 0 141 -4,-0.5 3,-1.8 1,-0.2 4,-0.4 0.934 109.1 59.5 -46.1 -55.0 46.3 26.0 0.7 48 51 A L H >< S+ 0 0 0 -4,-3.4 3,-1.6 1,-0.3 -1,-0.2 0.881 91.7 71.3 -48.2 -47.4 44.6 25.5 4.1 49 52 A K H 3< S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.710 108.4 30.3 -42.1 -40.9 41.8 23.6 2.3 50 53 A K T << S+ 0 0 174 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.072 76.8 128.5-130.5 45.2 44.0 20.6 1.5 51 54 A M S X S- 0 0 11 -3,-1.6 3,-1.8 -4,-0.4 2,-0.3 -0.359 82.8 -69.7 -41.7 141.0 46.4 20.4 4.2 52 55 A P T 3 S- 0 0 59 0, 0.0 -37,-0.7 0, 0.0 -34,-0.1 -0.692 116.1 -1.8 -82.1 154.8 46.0 16.8 5.3 53 56 A G T 3 S+ 0 0 9 -2,-0.3 -43,-3.0 -39,-0.2 2,-0.9 0.161 82.3 138.8 -86.3 80.2 43.3 16.1 6.7 54 57 A V E < +B 9 0A 3 -3,-1.8 -45,-0.2 -45,-0.2 3,-0.1 -0.880 23.9 173.5 -65.1 101.3 41.6 19.5 6.7 55 58 A E E + 0 0 117 -47,-2.0 2,-0.3 -2,-0.9 -46,-0.2 0.617 59.0 17.8 -95.2 -15.9 38.2 18.2 5.8 56 59 A K E -B 8 0A 95 -48,-1.3 -48,-2.5 -3,-0.1 2,-0.5 -0.972 57.0-156.4-159.6 137.3 36.2 21.5 6.2 57 60 A V E -B 7 0A 7 -2,-0.3 2,-0.4 -50,-0.2 -50,-0.2 -0.985 18.5-178.6-118.4 123.8 37.0 25.2 6.3 58 61 A E E -B 6 0A 16 -52,-1.3 -52,-3.5 -2,-0.5 2,-0.1 -0.980 21.6-127.9-125.4 136.8 34.4 27.4 8.0 59 62 A F E -B 5 0A 20 -2,-0.4 2,-0.8 -54,-0.2 -54,-0.2 -0.454 30.4-104.5 -79.3 156.2 34.5 31.2 8.5 60 63 A D - 0 0 23 -56,-1.0 -56,-0.1 -2,-0.1 -1,-0.1 -0.759 40.1-158.0 -88.6 108.7 34.1 32.9 11.9 61 64 A H - 0 0 52 -2,-0.8 129,-2.3 1,-0.1 2,-0.3 -0.259 13.0-115.9 -91.0 160.6 30.6 34.4 12.3 62 65 A Q E -D 189 0B 72 127,-0.2 174,-0.3 128,-0.1 2,-0.3 -0.818 26.1-176.2-101.4 128.5 29.3 37.3 14.6 63 66 A A E -D 188 0B 2 125,-2.4 125,-2.5 -2,-0.3 2,-0.3 -0.881 12.1-150.9-118.3 162.7 26.7 36.8 17.3 64 67 A V E -DE 187 233B 49 169,-2.5 169,-1.9 -2,-0.3 123,-0.2 -0.974 21.4 -98.5-142.5 139.1 25.2 39.5 19.4 65 68 A L E - E 0 232B 13 121,-2.1 167,-0.3 -2,-0.3 47,-0.0 -0.368 27.7-149.6 -47.2 150.5 23.7 40.1 22.9 66 69 A L + 0 0 4 165,-2.0 255,-1.9 -2,-0.1 256,-0.3 0.054 63.7 82.7-124.8 29.8 19.9 40.1 22.9 67 70 A G + 0 0 4 164,-0.2 252,-0.2 254,-0.2 83,-0.1 -0.966 48.0 177.0-139.0 150.7 19.0 42.5 25.8 68 71 A K E -F 318 0C 38 250,-2.6 250,-4.3 -2,-0.3 2,-0.1 -0.932 43.2 -74.3-147.4 157.9 18.9 46.3 25.8 69 72 A P E -F 317 0C 12 0, 0.0 248,-0.3 0, 0.0 4,-0.1 -0.329 56.1-115.6 -62.5 137.1 17.9 49.0 28.4 70 73 A S > - 0 0 3 246,-2.3 3,-0.7 2,-0.1 767,-0.4 -0.314 8.7-123.2 -76.7 160.5 14.2 49.2 29.0 71 74 A W T 3 S+ 0 0 68 1,-0.3 2,-0.7 765,-0.1 -1,-0.1 0.908 106.9 60.6 -62.6 -50.3 11.8 52.1 28.3 72 75 A L T 3 S- 0 0 104 2,-0.0 -1,-0.3 765,-0.0 -2,-0.1 -0.662 92.1-154.3 -89.2 75.0 10.8 52.1 31.9 73 76 A G < + 0 0 49 -2,-0.7 2,-0.2 -3,-0.7 244,-0.1 0.086 22.8 95.0 28.1 106.6 13.9 52.8 33.6 74 77 A G - 0 0 25 242,-0.1 -4,-0.1 -4,-0.1 2,-0.0 -0.591 39.0-107.9 167.8-145.9 15.2 52.1 36.5 75 78 A G - 0 0 34 -2,-0.2 2,-0.6 240,-0.1 240,-0.2 -0.141 60.4 -55.6-102.4-172.4 17.1 50.9 39.6 76 79 A S - 0 0 37 238,-0.3 -1,-0.1 1,-0.1 238,-0.1 -0.746 50.3-165.2 -69.5 121.0 16.7 49.2 43.0 77 80 A T + 0 0 89 -2,-0.6 -1,-0.1 89,-0.1 -2,-0.0 0.599 60.7 39.3-106.8 -7.4 14.3 51.6 44.5 78 81 A Q S S- 0 0 51 2,-0.3 2,-1.5 88,-0.1 88,-0.3 -0.893 80.3-113.7-149.1 149.8 14.7 50.6 48.2 79 82 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 378,-0.1 -0.480 95.5 68.6 -85.7 52.8 17.4 49.5 50.6 80 83 A A S S- 0 0 4 -2,-1.5 -2,-0.3 86,-0.1 85,-0.2 -0.912 101.5 -66.8-150.6 172.6 15.9 46.0 50.9 81 84 A Q - 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