==== 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 29-MAY-07 2Z2X . COMPND 2 MOLECULE: TK-SUBTILISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR S.TANAKA,H.MATSUMURA,Y.KOGA,K.TAKANO,S.KANAYA . 318 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.7 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 . 4 1.3 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 . 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 23.3 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+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 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 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 PARALLEL BRIDGES PER LADDER . 6 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 81 A Q 0 0 116 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.1 -0.9 17.0 -22.3 2 82 A P - 0 0 68 0, 0.0 87,-2.5 0, 0.0 3,-0.1 -0.397 360.0 -91.0 -75.8 152.0 -3.1 15.8 -19.4 3 83 A A B -A 88 0A 84 85,-0.3 85,-0.3 1,-0.1 84,-0.1 -0.291 56.1 -91.1 -61.2 145.7 -2.8 17.2 -15.9 4 84 A Q - 0 0 50 83,-0.9 2,-0.3 82,-0.1 86,-0.2 -0.273 46.3-180.0 -66.1 139.1 -0.4 15.1 -13.7 5 85 A T - 0 0 76 84,-2.2 86,-0.1 -3,-0.1 83,-0.0 -0.947 27.5-122.6-131.2 156.7 -1.8 12.3 -11.6 6 86 A I - 0 0 63 -2,-0.3 5,-0.1 84,-0.1 84,-0.1 -0.881 26.5-131.2-102.4 110.8 0.0 9.9 -9.3 7 87 A P >> - 0 0 16 0, 0.0 3,-1.3 0, 0.0 4,-1.2 -0.257 23.3-115.8 -56.0 145.3 -0.4 6.2 -10.2 8 88 A W H 3> S+ 0 0 62 1,-0.3 4,-2.6 219,-0.2 3,-0.1 0.835 112.8 60.8 -54.8 -33.9 -1.4 4.1 -7.3 9 89 A G H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.827 97.7 57.0 -64.8 -33.7 1.8 2.1 -7.4 10 90 A I H <4>S+ 0 0 3 -3,-1.3 5,-1.6 1,-0.2 -1,-0.2 0.900 112.6 41.1 -67.9 -39.6 3.9 5.2 -6.8 11 91 A E H ><5S+ 0 0 93 -4,-1.2 3,-2.0 3,-0.2 -2,-0.2 0.887 108.4 61.7 -72.4 -37.2 2.1 5.8 -3.6 12 92 A R H 3<5S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.873 104.4 48.2 -58.7 -35.7 2.1 2.1 -2.6 13 93 A V T 3<5S- 0 0 0 -4,-1.8 296,-3.4 -5,-0.1 -1,-0.3 0.274 113.5-120.1 -93.8 15.7 5.9 2.1 -2.6 14 94 A K T < 5 + 0 0 99 -3,-2.0 296,-1.4 294,-0.2 -3,-0.2 0.856 65.3 139.8 56.9 44.0 6.0 5.2 -0.4 15 95 A A >>< + 0 0 0 -5,-1.6 3,-2.4 294,-0.2 4,-0.8 0.899 52.6 66.0 -83.7 -47.5 8.0 7.3 -2.9 16 96 A P G >4 S+ 0 0 32 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.857 97.2 56.5 -52.7 -37.2 6.4 10.8 -2.7 17 97 A S G 34 S+ 0 0 80 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.624 102.0 58.3 -70.4 -7.7 7.4 11.4 0.9 18 98 A V G X> S+ 0 0 2 -3,-2.4 3,-2.7 1,-0.2 4,-2.2 0.745 81.4 84.0 -85.5 -25.9 11.1 10.8 -0.0 19 99 A W T << S+ 0 0 42 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.1 0.752 79.9 63.9 -58.0 -27.9 11.3 13.6 -2.6 20 100 A S T 34 S+ 0 0 114 -4,-0.4 -1,-0.3 -3,-0.2 3,-0.1 0.786 112.2 37.7 -61.9 -30.4 12.0 16.2 -0.0 21 101 A I T <4 S- 0 0 73 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.907 141.3 -27.9 -85.7 -54.7 15.2 14.4 0.7 22 102 A T < - 0 0 6 -4,-2.2 -1,-0.4 1,-0.1 -2,-0.1 -0.955 36.0-160.3-158.7 145.2 15.9 13.5 -2.9 23 103 A D S S- 0 0 48 -2,-0.3 73,-2.8 -3,-0.1 74,-0.6 0.213 71.2 -89.3-101.3 12.5 14.0 12.8 -6.0 24 104 A G S S+ 0 0 1 72,-0.2 2,-0.8 71,-0.2 74,-0.5 0.300 92.7 127.3 97.9 -8.6 17.0 10.9 -7.5 25 105 A S + 0 0 76 72,-0.2 2,-0.6 3,-0.1 72,-0.1 -0.024 25.2 129.3 -76.5 33.6 18.6 14.1 -9.1 26 106 A V > - 0 0 17 -2,-0.8 3,-2.3 1,-0.1 72,-0.2 -0.835 63.3-132.4 -84.4 121.7 21.9 13.5 -7.5 27 107 A S T 3 S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.3 232,-0.0 0.669 97.8 60.3 -59.9 -28.0 24.2 13.8 -10.5 28 108 A V T 3 S+ 0 0 4 113,-0.1 2,-0.5 231,-0.1 113,-0.4 0.675 90.4 90.2 -70.0 -17.0 26.3 10.6 -10.0 29 109 A I < + 0 0 0 -3,-2.3 69,-0.8 -5,-0.2 2,-0.3 -0.717 46.4 163.4 -94.5 126.9 23.2 8.4 -10.2 30 110 A Q E -b 98 0B 9 -2,-0.5 119,-2.7 117,-0.2 120,-1.1 -0.986 24.4-148.3-130.7 148.3 21.9 6.9 -13.4 31 111 A V E -bc 99 150B 0 67,-2.4 69,-2.8 -2,-0.3 2,-0.5 -0.970 12.0-151.0-113.9 123.5 19.5 4.0 -13.9 32 112 A A E -bc 100 151B 0 118,-3.2 120,-2.8 -2,-0.5 2,-0.6 -0.841 7.8-162.8 -96.5 126.7 20.0 1.9 -17.1 33 113 A V E -bc 101 152B 0 67,-2.9 69,-2.7 -2,-0.5 2,-0.8 -0.958 3.4-159.2-115.5 111.1 16.8 0.3 -18.4 34 114 A L E +bc 102 153B 0 118,-2.3 120,-0.6 -2,-0.6 69,-0.2 -0.842 49.4 99.8 -95.8 107.1 17.4 -2.5 -20.8 35 115 A D E S-b 103 0B 0 67,-1.9 69,-2.1 -2,-0.8 70,-1.8 -0.665 87.2 -42.1-161.0-152.0 14.2 -2.8 -22.8 36 116 A T S S- 0 0 0 1,-0.3 34,-0.9 -2,-0.2 35,-0.2 0.378 90.2 -98.4 -82.0 5.2 12.5 -1.9 -26.1 37 117 A G - 0 0 0 65,-0.2 2,-0.3 32,-0.2 -1,-0.3 -0.668 42.5 -86.3 105.0-168.7 13.9 1.6 -26.2 38 118 A V B -l 68 0C 0 29,-1.3 2,-1.8 -2,-0.2 31,-0.8 -0.996 19.1-119.2-143.8 144.9 12.4 4.9 -25.2 39 119 A D > - 0 0 14 -2,-0.3 3,-2.0 29,-0.2 6,-0.1 -0.710 43.0-167.8 -76.8 85.6 10.2 7.7 -26.7 40 120 A Y T 3 S+ 0 0 73 -2,-1.8 9,-0.2 1,-0.3 -1,-0.2 0.678 75.1 45.7 -62.7 -20.7 13.1 10.0 -26.0 41 121 A D T 3 S+ 0 0 82 -3,-0.1 -1,-0.3 4,-0.1 6,-0.1 0.304 74.0 137.4-107.9 12.3 11.2 13.3 -26.6 42 122 A H X> - 0 0 0 -3,-2.0 4,-3.1 1,-0.2 3,-2.3 -0.322 59.0-131.2 -54.8 129.7 8.2 12.5 -24.6 43 123 A P T 34 S+ 0 0 50 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.780 106.5 51.1 -61.1 -25.5 7.4 15.6 -22.6 44 124 A D T 34 S+ 0 0 0 1,-0.1 40,-2.9 2,-0.1 -2,-0.1 0.468 125.1 25.0 -91.9 2.6 7.1 13.7 -19.4 45 125 A L T X> S+ 0 0 1 -3,-2.3 3,-2.2 38,-0.2 4,-0.5 0.624 91.6 91.1-124.7 -29.9 10.4 11.9 -19.9 46 126 A A G >< S+ 0 0 38 -4,-3.1 3,-1.7 1,-0.3 -2,-0.1 0.789 82.8 54.9 -56.3 -41.9 12.8 13.8 -22.1 47 127 A A G 34 S+ 0 0 85 1,-0.3 -1,-0.3 -4,-0.3 -3,-0.0 0.710 109.9 50.5 -65.3 -20.5 14.7 15.9 -19.5 48 128 A N G <4 S+ 0 0 18 -3,-2.2 51,-3.2 34,-0.1 2,-0.9 0.453 83.8 99.3 -91.9 -5.4 15.6 12.7 -17.7 49 129 A I E << +d 99 0B 30 -3,-1.7 51,-0.2 -4,-0.5 3,-0.1 -0.756 38.7 166.1 -87.2 111.8 16.9 10.8 -20.6 50 130 A A E + 0 0 52 49,-2.9 2,-0.3 -2,-0.9 50,-0.2 0.684 67.6 19.9 -94.7 -23.5 20.7 11.1 -20.5 51 131 A W E -d 100 0B 27 48,-1.3 50,-3.2 2,-0.1 2,-0.5 -0.956 54.1-172.0-153.0 129.9 21.5 8.3 -23.0 52 132 A a E +d 101 0B 16 -2,-0.3 2,-0.3 48,-0.2 50,-0.2 -0.970 29.9 157.7-123.3 105.1 19.4 6.6 -25.7 53 133 A V E -d 102 0B 0 48,-2.9 50,-3.1 -2,-0.5 2,-0.4 -0.877 27.4-152.9-133.0 155.8 21.4 3.7 -27.1 54 134 A S E -dE 103 61B 6 7,-2.2 7,-2.3 -2,-0.3 50,-0.2 -0.993 13.2-177.1-129.1 142.0 20.7 0.5 -28.9 55 135 A T > + 0 0 0 48,-2.9 3,-1.2 -2,-0.4 4,-0.3 0.185 36.1 145.0-117.6 17.9 22.6 -2.8 -29.0 56 136 A L G > S+ 0 0 30 47,-0.5 3,-0.9 1,-0.3 -2,-0.1 -0.248 71.3 6.6 -63.6 139.9 20.4 -4.6 -31.5 57 137 A R G 3 S- 0 0 211 1,-0.2 -1,-0.3 47,-0.1 3,-0.1 0.812 129.4 -67.1 59.3 33.7 22.1 -7.0 -33.9 58 138 A G G < S+ 0 0 53 -3,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.854 106.9 120.0 59.4 34.7 25.4 -6.6 -32.1 59 139 A K < - 0 0 130 -3,-0.9 2,-0.6 -4,-0.3 -1,-0.2 -0.966 57.2-142.8-130.7 121.8 25.8 -2.9 -33.1 60 140 A V + 0 0 76 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.720 34.7 167.4 -82.8 120.5 26.0 -0.2 -30.5 61 141 A S B -E 54 0B 18 -7,-2.3 -7,-2.2 -2,-0.6 -5,-0.1 -0.994 36.3-173.7-140.4 139.3 24.1 2.9 -31.9 62 142 A T + 0 0 86 -2,-0.3 2,-0.2 -9,-0.2 -10,-0.1 0.121 44.7 134.1-112.7 15.3 22.8 6.2 -30.6 63 143 A K >> - 0 0 136 1,-0.2 4,-2.1 -9,-0.1 3,-1.0 -0.486 62.3-129.3 -61.6 133.3 21.1 7.1 -33.7 64 144 A L H 3> S+ 0 0 86 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.895 106.2 51.2 -57.5 -42.8 17.7 8.3 -32.5 65 145 A R H 34 S+ 0 0 201 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.769 112.0 49.3 -68.6 -21.0 15.7 6.1 -34.9 66 146 A D H <4 S+ 0 0 43 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.836 117.0 39.5 -82.7 -34.1 17.7 3.1 -33.7 67 147 A a H < S+ 0 0 0 -4,-2.1 -29,-1.3 -15,-0.2 -2,-0.2 0.641 91.5 107.2 -89.7 -17.9 17.2 3.8 -30.0 68 148 A A B < S-l 38 0C 15 -4,-2.0 2,-0.5 -5,-0.3 -29,-0.2 -0.283 80.4-101.8 -64.3 151.5 13.6 4.9 -30.1 69 149 A D + 0 0 10 -31,-0.8 -32,-0.2 1,-0.1 -1,-0.1 -0.618 36.6 176.4 -77.2 118.3 10.9 2.7 -28.7 70 150 A Q S S+ 0 0 102 -34,-0.9 -1,-0.1 -2,-0.5 -33,-0.1 0.277 80.4 38.8-104.1 10.4 9.1 0.8 -31.5 71 151 A N S S- 0 0 57 -35,-0.2 36,-0.1 37,-0.0 -34,-0.1 0.723 93.2-126.8-121.1 -53.2 6.9 -1.2 -29.0 72 152 A G S > S+ 0 0 0 -36,-0.1 4,-1.8 -35,-0.1 5,-0.1 -0.027 82.1 100.1 122.1 -28.3 5.9 0.9 -26.0 73 153 A H H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 83.5 45.6 -53.3 -55.2 7.1 -1.4 -23.2 74 154 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 110.6 52.6 -62.6 -41.0 10.4 0.5 -22.5 75 155 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 156,-0.3 0.879 111.6 48.0 -60.3 -37.8 8.7 3.9 -22.5 76 156 A H H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 155,-0.3 0.962 113.2 46.8 -68.5 -48.9 6.2 2.5 -19.9 77 157 A V H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.4 0.917 112.2 50.6 -57.0 -48.3 8.9 1.0 -17.7 78 158 A I H X S+ 0 0 1 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.884 106.5 55.1 -61.5 -40.2 11.0 4.1 -17.8 79 159 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.839 102.1 57.0 -64.4 -30.2 8.0 6.3 -16.9 80 160 A T H < S+ 0 0 5 -4,-1.5 13,-2.4 -3,-0.4 -1,-0.2 0.888 116.4 36.2 -67.9 -36.7 7.5 4.2 -13.8 81 161 A I H < S+ 0 0 0 -4,-1.4 13,-3.0 11,-0.3 16,-0.2 0.915 138.4 6.0 -76.4 -43.4 11.0 4.9 -12.7 82 162 A A H < + 0 0 0 -4,-3.2 -3,-0.2 10,-0.2 -2,-0.2 0.188 67.6 148.2-141.8 15.3 11.5 8.5 -13.8 83 163 A A < - 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