==== 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 2Z30 . COMPND 2 MOLECULE: TK-SUBTILISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR S.TANAKA,H.MATSUMURA,Y.KOGA,K.TAKANO,S.KANAYA . 385 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 27 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 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 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 79 A S 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.5 38.9 10.9 28.0 2 80 A T - 0 0 130 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.255 360.0-111.4 -34.8 128.2 38.2 7.2 27.7 3 81 A Q - 0 0 48 1,-0.1 -1,-0.1 235,-0.0 3,-0.1 -0.478 33.0-112.8 -68.5 142.5 34.8 6.4 26.3 4 82 A P - 0 0 67 0, 0.0 87,-2.2 0, 0.0 3,-0.1 -0.395 38.5 -91.4 -73.8 157.2 32.2 4.8 28.7 5 83 A A B -A 90 0A 84 85,-0.2 85,-0.3 1,-0.1 84,-0.1 -0.358 56.7 -88.9 -68.2 146.3 31.0 1.3 28.1 6 84 A Q + 0 0 48 83,-1.1 2,-0.3 82,-0.1 86,-0.2 -0.255 46.3 179.6 -60.8 140.4 27.9 1.1 26.0 7 85 A T - 0 0 76 84,-1.9 86,-0.1 83,-0.1 83,-0.0 -0.927 29.0-124.3-132.1 157.2 24.5 1.2 27.6 8 86 A I - 0 0 54 -2,-0.3 5,-0.1 84,-0.1 84,-0.1 -0.910 32.6-128.5-100.7 110.6 21.1 1.0 25.9 9 87 A P >> - 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-1.1 -0.214 20.8-112.3 -57.5 150.1 19.1 4.1 26.9 10 88 A W H 3> S+ 0 0 70 1,-0.3 4,-2.2 219,-0.2 5,-0.1 0.814 114.3 57.9 -54.1 -34.9 15.6 3.4 28.3 11 89 A G H 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.833 101.4 54.0 -69.0 -32.4 13.9 5.0 25.3 12 90 A I H <4>S+ 0 0 3 -3,-1.1 5,-1.8 1,-0.2 -1,-0.2 0.890 112.0 45.9 -65.3 -42.3 15.5 2.7 22.8 13 91 A E H ><5S+ 0 0 95 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.887 108.8 56.4 -63.1 -42.7 14.2 -0.2 24.8 14 92 A R H 3<5S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.846 104.2 51.5 -60.4 -40.1 10.8 1.4 25.1 15 93 A V T 3<5S- 0 0 0 -4,-1.7 296,-3.3 -5,-0.1 297,-0.3 0.274 112.8-119.9 -85.7 12.7 10.3 1.6 21.4 16 94 A K T < 5 + 0 0 100 -3,-1.5 296,-1.5 294,-0.2 -3,-0.2 0.885 65.8 140.4 59.0 43.9 11.2 -2.0 21.0 17 95 A A >>< + 0 0 0 -5,-1.8 3,-2.2 294,-0.2 4,-0.6 0.877 52.1 67.2 -83.9 -45.3 14.3 -1.5 18.7 18 96 A P G >4 S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.846 95.6 56.8 -52.7 -35.3 16.8 -4.0 20.0 19 97 A S G 34 S+ 0 0 78 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.654 101.3 60.2 -72.4 -12.3 14.9 -7.1 18.8 20 98 A V G X> S+ 0 0 2 -3,-2.2 3,-2.7 1,-0.2 4,-2.3 0.752 80.6 82.9 -80.1 -26.0 14.8 -5.7 15.3 21 99 A W T << S+ 0 0 44 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.704 81.0 62.8 -63.0 -22.0 18.6 -5.6 14.8 22 100 A S T 34 S+ 0 0 115 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.679 112.5 38.9 -70.0 -21.1 18.8 -9.3 13.9 23 101 A I T <4 S- 0 0 51 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.847 138.8 -25.5 -90.8 -55.2 16.7 -8.4 10.9 24 102 A T < - 0 0 7 -4,-2.3 -1,-0.4 1,-0.1 -2,-0.1 -0.962 33.9-160.1-159.7 146.1 18.3 -5.1 10.2 25 103 A D - 0 0 55 -2,-0.3 73,-2.9 -3,-0.1 74,-0.6 0.243 69.9 -93.5-100.8 5.1 20.2 -2.3 11.9 26 104 A G S S+ 0 0 0 72,-0.2 2,-1.5 71,-0.2 74,-0.4 0.333 87.6 132.3 98.7 -1.5 19.2 0.1 9.1 27 105 A S + 0 0 74 72,-0.2 2,-0.6 3,-0.1 72,-0.1 -0.169 23.2 137.0 -82.1 44.4 22.4 -0.5 7.1 28 106 A V > - 0 0 17 -2,-1.5 3,-2.0 1,-0.1 72,-0.2 -0.843 59.9-126.5 -92.0 125.3 20.6 -1.1 3.8 29 107 A S T 3 S+ 0 0 103 -2,-0.6 -1,-0.1 1,-0.3 232,-0.0 0.748 103.2 49.4 -44.2 -43.6 22.6 0.8 1.1 30 108 A V T 3 S+ 0 0 11 113,-0.1 2,-0.5 231,-0.1 113,-0.4 0.629 92.4 94.9 -80.0 -9.5 19.7 2.9 -0.4 31 109 A I < + 0 0 0 -3,-2.0 69,-0.8 -5,-0.1 2,-0.3 -0.688 42.6 162.0 -95.5 125.5 18.5 4.2 3.0 32 110 A Q E -b 100 0B 13 -2,-0.5 119,-2.8 117,-0.2 120,-1.1 -0.992 25.0-148.8-133.7 146.3 19.5 7.5 4.5 33 111 A V E -bc 101 152B 0 67,-2.4 69,-2.6 -2,-0.3 2,-0.6 -0.973 12.7-149.3-114.0 121.3 17.9 9.6 7.2 34 112 A A E -bc 102 153B 0 118,-3.3 120,-2.8 -2,-0.5 2,-0.6 -0.849 8.0-162.8 -93.1 124.7 18.3 13.4 6.9 35 113 A V E -bc 103 154B 0 67,-2.9 69,-2.8 -2,-0.6 2,-0.8 -0.927 2.5-160.7-112.1 111.7 18.4 15.2 10.3 36 114 A L E +bc 104 155B 0 118,-2.6 120,-0.5 -2,-0.6 69,-0.2 -0.825 49.1 99.6 -95.6 105.3 17.7 18.9 9.9 37 115 A D E S-b 105 0B 0 67,-1.9 69,-2.2 -2,-0.8 70,-2.1 -0.623 87.6 -42.0-159.8-148.9 19.1 20.4 13.1 38 116 A T S S- 0 0 0 1,-0.3 34,-0.8 67,-0.2 35,-0.2 0.410 89.0-100.9 -84.8 6.8 22.1 22.2 14.6 39 117 A G - 0 0 0 65,-0.2 2,-0.3 32,-0.2 -1,-0.3 -0.607 42.1 -83.4 103.0-168.5 24.7 20.0 12.8 40 118 A V B -l 70 0C 0 29,-1.5 2,-1.7 -2,-0.2 31,-0.8 -0.993 17.0-122.0-143.9 147.9 26.7 17.1 14.1 41 119 A D > - 0 0 12 -2,-0.3 3,-2.1 29,-0.2 6,-0.1 -0.713 43.5-169.7 -80.1 83.9 30.0 16.3 16.0 42 120 A Y T 3 S+ 0 0 81 -2,-1.7 9,-0.2 1,-0.3 -1,-0.2 0.667 74.3 49.1 -68.2 -14.3 30.9 14.4 12.8 43 121 A D T 3 S+ 0 0 85 -3,-0.1 -1,-0.3 4,-0.1 6,-0.1 0.261 74.7 138.3-103.5 9.8 34.0 12.7 14.3 44 122 A H X> - 0 0 0 -3,-2.1 4,-2.9 1,-0.2 3,-2.2 -0.312 57.8-132.8 -57.0 128.7 32.2 11.4 17.4 45 123 A P T 34 S+ 0 0 54 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.830 105.9 49.7 -58.8 -26.9 33.4 7.9 17.9 46 124 A D T 34 S+ 0 0 0 1,-0.1 40,-2.3 192,-0.1 -2,-0.1 0.465 126.1 24.8 -92.9 8.8 29.9 6.7 18.5 47 125 A L T X4 S+ 0 0 1 -3,-2.2 3,-2.2 38,-0.2 4,-0.4 0.626 90.4 92.3-130.4 -30.8 28.5 8.4 15.3 48 126 A A G >< S+ 0 0 40 -4,-2.9 3,-1.9 1,-0.3 -2,-0.1 0.789 82.5 56.8 -50.8 -46.4 31.2 9.0 12.7 49 127 A A G 3 S+ 0 0 83 -4,-0.3 -1,-0.3 1,-0.3 -3,-0.0 0.750 109.1 48.7 -59.1 -23.6 30.8 5.8 10.7 50 128 A N G < S+ 0 0 17 -3,-2.2 51,-3.3 34,-0.1 2,-1.1 0.401 80.9 103.6 -97.8 4.1 27.2 6.6 10.0 51 129 A I E < +d 101 0B 29 -3,-1.9 51,-0.1 -4,-0.4 3,-0.1 -0.735 39.4 166.8 -90.5 101.7 27.7 10.2 8.9 52 130 A A E + 0 0 51 49,-2.1 2,-0.3 -2,-1.1 50,-0.2 0.730 66.1 11.4 -89.8 -26.1 27.2 9.8 5.2 53 131 A W E -d 102 0B 32 48,-1.4 50,-2.6 2,-0.1 2,-0.4 -0.969 59.4-166.3-155.5 140.7 26.9 13.6 4.3 54 132 A a E +d 103 0B 13 -2,-0.3 2,-0.3 48,-0.2 50,-0.2 -0.966 26.3 152.8-136.9 108.5 27.5 16.7 6.4 55 133 A V E -d 104 0B 0 48,-2.7 50,-3.2 -2,-0.4 2,-0.3 -0.894 28.0-147.6-138.7 164.2 26.1 20.0 5.0 56 134 A S E -dE 105 63B 5 7,-2.8 7,-2.9 -2,-0.3 50,-0.2 -0.984 13.4-177.2-133.2 147.4 24.8 23.4 6.1 57 135 A T > + 0 0 0 48,-2.8 3,-1.7 -2,-0.3 4,-0.2 0.164 34.7 147.3-123.4 11.8 22.3 25.7 4.8 58 136 A L G > S+ 0 0 34 47,-0.5 3,-1.1 1,-0.3 -2,-0.1 -0.231 71.2 7.5 -56.6 136.8 22.7 28.6 7.2 59 137 A R G 3 S- 0 0 162 1,-0.2 -1,-0.3 47,-0.1 3,-0.1 0.685 128.4 -68.8 66.2 16.7 22.2 32.1 5.8 60 138 A G G < S+ 0 0 2 -3,-1.7 2,-0.5 1,-0.2 -1,-0.2 0.656 106.8 117.6 83.3 17.5 20.9 30.7 2.6 61 139 A K < - 0 0 150 -3,-1.1 2,-0.5 -4,-0.2 -1,-0.2 -0.969 59.6-137.9-122.0 118.1 24.2 29.4 1.5 62 140 A V + 0 0 55 -2,-0.5 2,-0.4 -5,-0.1 -5,-0.2 -0.676 30.0 174.9 -78.7 124.5 24.7 25.6 0.9 63 141 A S B -E 56 0B 24 -7,-2.9 -7,-2.8 -2,-0.5 -5,-0.1 -0.995 28.6-174.0-132.7 137.3 28.0 24.5 2.4 64 142 A T + 0 0 89 -2,-0.4 -10,-0.2 -9,-0.2 2,-0.1 0.292 47.5 127.4-109.5 9.3 29.5 21.0 2.6 65 143 A K >> - 0 0 126 1,-0.1 4,-2.3 -9,-0.1 3,-0.7 -0.444 62.6-135.4 -66.1 134.8 32.5 22.2 4.6 66 144 A L H 3> S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.884 106.1 57.9 -53.8 -43.7 33.1 20.2 7.8 67 145 A R H 34 S+ 0 0 167 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.838 112.6 39.6 -56.3 -33.8 33.7 23.5 9.6 68 146 A D H <4 S+ 0 0 55 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.790 116.1 49.6 -87.7 -32.1 30.3 24.8 8.6 69 147 A a H < S+ 0 0 0 -4,-2.3 -29,-1.5 -15,-0.2 -14,-0.2 0.608 86.7 109.3 -85.0 -12.6 28.4 21.6 9.1 70 148 A A B < S-l 40 0C 25 -4,-1.6 2,-0.4 -31,-0.2 -29,-0.2 -0.305 77.7-104.0 -66.9 151.6 29.7 20.9 12.6 71 149 A D + 0 0 17 -31,-0.8 -32,-0.2 1,-0.1 -1,-0.1 -0.618 35.3 174.4 -80.6 122.9 27.5 21.2 15.6 72 150 A Q S S+ 0 0 104 -34,-0.8 -1,-0.1 -2,-0.4 -33,-0.1 0.279 81.4 39.8-106.2 5.3 28.1 24.3 17.7 73 151 A N S S- 0 0 46 -35,-0.2 36,-0.1 34,-0.1 -34,-0.1 0.731 92.3-129.2-117.3 -51.3 25.1 23.6 20.0 74 152 A G S > S+ 0 0 0 -36,-0.1 4,-2.0 -35,-0.1 5,-0.2 -0.097 81.2 99.1 118.3 -29.8 24.8 19.9 20.8 75 153 A H H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 83.2 47.9 -58.6 -48.7 21.2 19.3 20.0 76 154 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 110.3 53.1 -59.1 -42.3 21.8 17.9 16.5 77 155 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 156,-0.3 0.895 111.2 47.4 -60.0 -37.6 24.4 15.5 17.9 78 156 A H H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 155,-0.3 0.960 112.8 46.9 -68.4 -50.1 22.0 14.3 20.5 79 157 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.2 0.920 112.1 50.9 -58.3 -46.9 19.1 13.8 18.1 80 158 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 3,-0.3 0.910 106.3 55.4 -63.2 -38.3 21.3 12.0 15.6 81 159 A G H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.832 102.1 56.3 -64.4 -34.8 22.6 9.7 18.3 82 160 A T H < S+ 0 0 4 -4,-1.7 13,-2.3 -3,-0.2 -1,-0.2 0.872 116.6 37.0 -63.0 -35.3 19.1 8.6 19.2 83 161 A I H < S+ 0 0 0 -4,-1.4 13,-2.8 -3,-0.3 -2,-0.2 0.913 137.4 7.4 -77.3 -46.3 18.6 7.5 15.6 84 162 A A H < + 0 0 1 -4,-3.0 -3,-0.2 10,-0.2 -2,-0.2 0.186 68.0 147.5-138.2 20.0 22.0 6.1 14.8 85 163 A A < - 0 0 0 -4,-1.8 9,-3.0 -5,-0.2 -38,-0.2 -0.415 59.3-101.7 -58.4 135.1 24.5 5.8 17.6 86 164 A L - 0 0 32 -40,-2.3 2,-0.9 7,-0.2 4,-0.2 -0.317 19.3-124.9 -64.8 142.5 26.6 2.7 16.7 87 165 A N S S+ 0 0 89 10,-0.3 2,-0.2 6,-0.1 6,-0.1 -0.822 71.1 105.3 -88.0 104.1 26.1 -0.7 18.4 88 166 A N S S- 0 0 51 -2,-0.9 -82,-0.1 2,-0.4 -42,-0.0 -0.629 87.0 -61.2-157.5-150.9 29.6 -1.3 19.6 89 167 A D S S+ 0 0 142 -2,-0.2 -83,-1.1 -84,-0.1 2,-0.3 0.400 103.7 56.5 -98.4 5.2 31.5 -1.2 22.9 90 168 A I B S-A 5 0A 36 -85,-0.3 -2,-0.4 2,-0.2 -85,-0.2 -0.833 92.6 -10.8-134.5 161.7 31.0 2.4 23.8 91 169 A G S S- 0 0 3 -87,-2.2 -84,-1.9 -2,-0.3 2,-0.2 -0.203 94.9 -40.2 66.7-123.2 28.5 5.1 24.5 92 170 A V - 0 0 3 -86,-0.2 2,-0.3 -2,-0.1 -4,-0.3 -0.478 52.2-121.4-126.9-161.1 24.9 4.5 23.6 93 171 A V - 0 0 1 -2,-0.2 -7,-0.2 -6,-0.1 -6,-0.1 -0.972 19.4-130.1-154.1 134.9 23.1 2.9 20.7 94 172 A G - 0 0 0 -9,-3.0 -11,-0.3 -2,-0.3 -10,-0.2 -0.358 27.6-109.3 -83.0 167.3 20.5 4.2 18.3 95 173 A V S S+ 0 0 0 -13,-2.3 -11,-0.2 1,-0.3 -12,-0.2 0.896 123.8 24.7 -56.3 -42.6 17.1 2.9 17.2 96 174 A A S > S+ 0 0 0 -13,-2.8 3,-1.9 -14,-0.2 -1,-0.3 -0.757 79.3 179.7-124.8 77.2 18.8 2.1 13.8 97 175 A P T 3 S+ 0 0 3 0, 0.0 -10,-0.3 0, 0.0 -71,-0.2 0.536 77.7 45.3 -73.8 1.0 22.4 1.8 14.7 98 176 A G T 3 S+ 0 0 10 -73,-2.9 -72,-0.2 -12,-0.1 2,-0.2 0.307 83.8 121.6-117.0 5.0 23.6 1.1 11.2 99 177 A V < - 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