==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 11-AUG-95 1BTP . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.ODAGAKI,H.NAKAI,K.SENOKUCHI,M.KAWAMURA,N.HAMANAKA, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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+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 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 5 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 . 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 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 16 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 171,-0.2 0.000 360.0 360.0 360.0 129.1 11.1 3.8 25.2 2 17 A V B +A 171 0A 9 169,-2.7 169,-2.0 1,-0.2 123,-0.1 -0.909 360.0 9.7-103.5 130.9 11.2 7.5 24.4 3 18 A G S S+ 0 0 50 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.690 101.3 125.0 75.7 20.2 9.0 8.5 21.5 4 19 A G - 0 0 33 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.136 53.3-120.5 -97.2-161.4 7.2 5.1 21.3 5 20 A Y E -B 137 0B 102 132,-2.3 132,-3.1 -3,-0.1 2,-0.3 -0.909 35.4 -85.5-137.9 159.7 3.6 4.1 21.4 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.540 38.0-146.7 -62.5 127.9 1.4 1.9 23.6 7 22 A a - 0 0 19 128,-2.8 -1,-0.1 -2,-0.3 129,-0.1 0.904 33.8-114.7 -64.3 -41.8 1.8 -1.6 22.2 8 23 A G > - 0 0 28 127,-0.4 3,-1.7 4,-0.0 4,-0.3 0.041 49.1 -56.8 104.9 138.3 -1.6 -2.9 23.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.190 115.8 -12.2 -61.9 131.0 -2.2 -5.7 25.5 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.541 91.6 126.3 57.3 22.9 -0.4 -8.9 24.9 11 26 A T S < S+ 0 0 80 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.607 74.4 49.2 -76.1 -16.4 0.6 -7.9 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.706 75.5 177.6-120.9 75.5 4.2 -8.7 22.1 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.604 71.7 56.6 -67.0 -14.1 3.6 -12.1 23.6 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-1.9 88,-0.1 2,-0.3 0.452 78.7 110.5 -90.6 -7.2 7.4 -12.9 24.1 15 30 A Q E < -J 28 0C 6 -3,-2.0 36,-0.4 13,-0.2 2,-0.3 -0.549 47.4-170.6 -72.9 127.3 8.2 -9.8 26.2 16 31 A V E -J 27 0C 0 11,-2.5 11,-0.7 -2,-0.3 2,-0.5 -0.861 17.8-139.6-116.7 155.8 8.9 -10.5 29.9 17 32 A S E -JK 26 49C 0 32,-2.0 32,-2.8 -2,-0.3 2,-0.6 -0.944 14.9-143.6-100.3 130.0 9.4 -8.2 32.9 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.1 -2,-0.5 7,-1.0 -0.893 28.9-170.7 -93.2 129.9 12.2 -9.1 35.4 19 34 A N E +JK 23 47C 16 28,-2.8 28,-3.0 -2,-0.6 4,-0.2 -0.959 37.1 166.0-130.9 140.0 11.0 -8.3 38.8 20 37 A S S S- 0 0 36 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.392 97.2 -46.7-137.5 45.1 12.5 -8.1 42.3 21 38 A G S S+ 0 0 69 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.563 139.0 29.3 95.4 3.5 9.6 -6.2 44.0 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.899 100.4 -84.4-177.3 163.0 9.6 -3.7 41.1 23 40 A H E +J 19 0C 26 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.715 50.0 153.3 -81.2 134.7 10.4 -3.9 37.4 24 41 A F E + 0 0 32 -6,-2.1 2,-0.3 -2,-0.4 151,-0.2 0.510 58.3 17.3-136.7 -15.5 14.0 -3.5 36.5 25 42 A b E -J 18 0C 11 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.997 59.8-129.8-157.1 154.5 14.8 -5.3 33.2 26 43 A G E +J 17 0C 0 151,-2.5 12,-0.3 -2,-0.3 2,-0.3 -0.288 25.7 169.9 -91.5-174.2 13.2 -6.8 30.1 27 44 A G E -J 16 0C 0 -11,-0.7 -11,-2.5 10,-0.1 2,-0.4 -0.958 25.9-118.0 179.6 175.8 13.7 -10.2 28.5 28 45 A S E -JL 15 36C 2 8,-1.8 8,-3.0 -2,-0.3 2,-0.5 -1.000 18.2-130.5-137.4 135.4 12.3 -12.6 25.8 29 46 A L E + L 0 35C 0 -15,-1.9 74,-2.5 -2,-0.4 6,-0.2 -0.687 25.8 175.3 -79.7 124.2 10.9 -16.0 26.2 30 47 A I E S- 0 0 22 4,-2.7 2,-0.3 1,-0.5 5,-0.2 0.554 70.3 -9.8-111.2 -8.7 12.6 -18.3 23.7 31 48 A N E > S- L 0 34C 51 3,-1.1 3,-1.9 70,-0.1 -1,-0.5 -0.891 91.3 -78.1-169.4 169.0 10.9 -21.5 24.8 32 49 A S T 3 S+ 0 0 44 1,-0.3 62,-2.6 -2,-0.3 60,-0.1 0.559 127.0 31.1 -55.1 -18.2 8.7 -22.5 27.7 33 50 A Q T 3 S+ 0 0 64 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.453 109.4 68.2-118.0 0.7 11.6 -22.8 30.2 34 51 A W E < -LM 31 89C 12 -3,-1.9 -4,-2.7 55,-0.2 -3,-1.1 -0.969 49.1-170.4-135.4 139.8 14.2 -20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.5 -0.930 14.1-147.6-117.1 139.4 14.4 -16.4 28.9 36 53 A V E +LM 28 87C 0 -8,-3.0 -8,-1.8 -2,-0.4 51,-0.2 -0.933 35.0 144.0-108.5 131.5 17.1 -14.4 27.1 37 54 A S E - M 0 86C 0 49,-3.2 49,-2.2 -2,-0.5 2,-0.4 -0.646 50.4 -65.2-140.8-160.9 18.0 -11.1 28.7 38 55 A A > - 0 0 0 -12,-0.3 3,-1.9 47,-0.3 47,-0.3 -0.831 30.2-132.9-100.7 139.6 21.1 -8.9 29.2 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.831 106.4 64.9 -58.6 -28.0 24.1 -9.9 31.5 40 57 A H G 3 S+ 0 0 109 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.707 91.6 63.3 -67.4 -25.5 23.9 -6.5 33.0 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.398 76.2 131.1 -80.0 0.9 20.4 -7.3 34.5 42 59 A Y < + 0 0 126 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.0 -0.375 19.7 134.4 -65.6 134.7 21.8 -10.1 36.6 43 60 A K - 0 0 63 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.920 53.7-105.2-161.2 160.2 20.9 -10.0 40.3 44 61 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.543 97.9 47.7 -83.1 167.6 19.7 -12.8 42.6 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.884 74.2 165.4 74.5 33.4 15.9 -12.9 43.6 46 63 A I - 0 0 10 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.760 19.3-169.3 -90.4 127.3 14.7 -12.5 40.0 47 64 A Q E -KN 19 66C 56 -28,-3.0 -28,-2.8 -2,-0.5 2,-0.5 -0.971 17.8-137.8-111.1 129.8 11.0 -13.3 39.4 48 65 A V E -KN 18 65C 0 17,-3.0 17,-3.0 -2,-0.5 2,-0.6 -0.790 13.0-155.6 -91.2 126.5 10.0 -13.6 35.7 49 66 A R E -KN 17 64C 48 -32,-2.8 -32,-2.0 -2,-0.5 3,-0.3 -0.911 14.1-173.1-110.0 109.8 6.7 -12.0 34.8 50 67 A L E + N 0 63C 2 13,-3.1 13,-1.8 -2,-0.6 -34,-0.1 -0.674 59.5 21.3-102.7 154.3 5.0 -13.3 31.8 51 69 A G S S+ 0 0 7 -36,-0.4 -1,-0.2 -38,-0.3 11,-0.1 0.586 86.4 158.1 73.2 12.2 1.9 -12.2 29.9 52 70 A E + 0 0 11 -3,-0.3 -42,-0.3 -37,-0.3 -1,-0.2 -0.304 24.7 149.9 -71.9 144.5 2.2 -8.7 31.3 53 71 A D S S+ 0 0 15 1,-0.3 2,-1.0 4,-0.3 -1,-0.2 0.339 78.8 36.6-128.0 -73.6 0.8 -5.4 30.1 54 72 A N S > S- 0 0 25 80,-0.2 3,-1.0 1,-0.2 -1,-0.3 -0.666 71.0-164.7 -81.1 110.2 0.1 -3.2 33.1 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-1.0 79,-0.1 0.706 85.1 50.4 -74.0 -12.4 2.9 -4.1 35.4 56 74 A N T 3 S+ 0 0 117 77,-0.4 2,-0.4 -3,-0.0 -1,-0.3 0.540 106.9 56.9-102.7 -5.0 1.2 -2.5 38.3 57 75 A V S < S- 0 0 77 -3,-1.0 2,-0.8 76,-0.2 -4,-0.3 -0.934 75.8-130.5-126.3 137.4 -2.2 -4.2 38.0 58 76 A V + 0 0 116 -2,-0.4 3,-0.1 1,-0.1 -3,-0.1 -0.865 39.9 161.2 -79.3 115.7 -3.1 -8.0 37.9 59 77 A E - 0 0 102 -2,-0.8 -1,-0.1 1,-0.3 2,-0.1 0.345 53.9 -88.7-118.6 -1.6 -5.4 -8.1 34.8 60 78 A G S S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.116 103.0 64.3 93.7 151.7 -5.4 -11.7 33.9 61 79 A N S S+ 0 0 66 1,-0.2 -9,-0.1 -2,-0.1 -3,-0.0 0.031 70.4 129.0 81.0 -11.2 -3.0 -13.6 31.6 62 80 A E - 0 0 32 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.3 -0.318 37.8-168.5 -68.6 141.6 0.1 -13.0 33.9 63 81 A Q E -N 50 0C 41 -13,-1.8 -13,-3.1 -3,-0.1 2,-0.6 -0.991 5.6-160.7-126.0 124.6 2.4 -16.0 34.9 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 18.8 169.9-106.1 114.4 4.9 -15.2 37.7 65 83 A I E -N 48 0C 17 -17,-3.0 -17,-3.0 -2,-0.6 2,-0.1 -0.990 29.3-124.2-126.6 132.0 7.7 -17.9 37.6 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.443 30.0-104.4 -71.9 150.3 10.9 -17.6 39.7 67 85 A A E -O 90 0C 16 -21,-2.6 23,-0.2 23,-0.2 3,-0.1 -0.571 28.9-172.4 -73.8 130.2 14.3 -17.8 38.1 68 86 A S E S- 0 0 62 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.839 71.9 -2.2 -83.1 -50.5 15.9 -21.1 38.6 69 87 A K E -O 89 0C 87 20,-1.1 20,-2.7 2,-0.0 2,-0.5 -0.987 56.2-156.3-148.1 139.0 19.4 -20.2 37.2 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.994 13.7-163.3-118.8 126.1 20.8 -17.1 35.5 71 89 A I E -O 87 0C 33 16,-2.6 16,-2.0 -2,-0.5 2,-0.4 -0.918 2.7-160.7-118.9 94.0 23.7 -17.9 33.3 72 90 A V E -O 86 0C 48 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.684 37.3 -98.7 -72.3 129.9 25.7 -14.8 32.4 73 91 A H > - 0 0 22 12,-2.0 3,-1.9 -2,-0.4 12,-0.1 -0.300 35.3-124.2 -45.0 127.4 27.9 -15.3 29.3 74 92 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.624 106.4 49.6 -62.2 -12.0 31.4 -16.2 30.8 75 93 A S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.125 75.0 140.3-111.1 19.4 33.1 -13.3 28.9 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.415 36.8-159.6 -55.8 132.4 30.7 -10.6 29.8 77 95 A N > - 0 0 69 5,-2.1 4,-2.1 1,-0.1 5,-0.5 -0.959 8.1-160.5-118.1 120.8 32.7 -7.4 30.5 78 96 A S T 4 S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.740 87.6 55.5 -73.9 -15.9 30.8 -4.9 32.6 79 97 A N T 4 S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.937 125.2 19.8 -81.3 -40.0 33.0 -1.9 31.6 80 98 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.518 95.0-132.6 -96.8 -15.1 32.5 -2.3 27.9 81 99 A L >< + 0 0 22 -4,-2.1 3,-0.9 1,-0.2 2,-0.3 0.700 45.7 163.9 61.9 26.1 29.3 -4.4 28.0 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.2 -0.604 66.8 15.7 -75.7 133.6 30.8 -6.7 25.4 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-2.0 -7,-0.2 -1,-0.3 0.881 78.5 177.5 64.3 51.2 28.9 -10.0 25.4 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.464 32.4 121.3 -82.9 75.6 25.9 -8.5 27.3 85 103 A I - 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