==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 31-MAR-97 5PTP . COMPND 2 MOLECULE: BETA TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.M.STROUD,J.FINER-MOORE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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+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 . 3 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.8 35.4 20.5 19.0 2 17 A V B +A 171 0A 10 169,-3.3 169,-1.9 1,-0.2 123,-0.1 -0.883 360.0 7.0-107.5 136.1 37.8 19.9 16.1 3 18 A G S S+ 0 0 40 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.762 100.4 121.6 69.6 29.9 39.5 22.7 14.3 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.105 56.7-113.7-103.4-157.6 38.2 25.4 16.7 5 20 A Y E -B 137 0B 101 132,-2.2 132,-3.0 -2,-0.1 2,-0.4 -0.900 35.5 -86.7-137.3 162.6 40.0 27.9 18.9 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.603 36.3-148.5 -69.9 116.8 40.5 28.4 22.7 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.898 35.0-114.2 -57.3 -46.1 37.4 30.5 23.7 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 -3,-0.0 4,-0.2 -0.013 48.4 -60.2 111.6 138.1 39.2 32.4 26.6 9 24 A A T 3 S- 0 0 46 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.300 117.9 -6.7 -58.6 126.6 38.1 31.8 30.2 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.623 90.2 124.5 63.3 22.2 34.4 32.7 30.9 11 26 A T S < S+ 0 0 83 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.488 75.4 48.8 -83.6 -7.4 33.8 34.2 27.5 12 27 A V S > S+ 0 0 9 -4,-0.2 3,-1.6 87,-0.1 -1,-0.2 -0.792 74.6 176.9-129.1 77.8 30.8 31.8 27.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-0.9 0, 0.0 38,-0.3 0.613 72.0 56.2 -66.8 -18.4 29.0 32.4 30.3 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.0 88,-0.1 2,-0.4 0.390 81.1 114.1 -91.3 -3.2 26.0 30.1 29.7 15 30 A Q E < -J 28 0C 6 -3,-1.6 36,-0.4 13,-0.2 37,-0.4 -0.557 46.4-171.8 -76.6 130.0 28.2 27.1 29.0 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.4 2,-0.4 -0.886 19.4-143.3-117.0 155.9 27.9 24.3 31.5 17 32 A S E -JK 26 49C 1 32,-2.4 32,-3.0 -2,-0.3 2,-0.6 -0.948 15.2-144.8-112.8 130.2 29.7 21.0 32.1 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.6 -2,-0.4 7,-0.8 -0.890 24.6-168.9 -94.6 127.3 27.6 18.0 33.3 19 34 A N E +JK 23 47C 22 28,-2.9 28,-3.0 -2,-0.6 4,-0.2 -0.960 32.9 167.4-123.8 133.8 29.7 15.9 35.8 20 37 A S S S- 0 0 35 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.416 98.3 -46.9-133.2 48.4 29.1 12.5 37.3 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.166 139.8 30.0 102.9 -9.4 32.7 12.2 38.6 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.938 102.4 -81.4-168.4 158.1 34.1 13.4 35.2 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.542 50.5 160.2 -72.5 133.1 32.8 15.7 32.5 24 41 A F E - 0 0 28 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.618 58.6 -1.4-128.5 -14.5 30.4 13.8 30.2 25 42 A b E -J 18 0C 6 -7,-0.8 -7,-2.8 151,-0.1 -1,-0.4 -0.935 63.0-116.8-167.9 161.5 28.4 16.4 28.3 26 43 A G E -J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.358 28.8-179.2 -97.2 178.4 27.8 20.1 27.9 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.1 2,-0.4 -0.929 22.2-118.3-164.4 174.5 24.7 22.1 28.6 28 45 A S E -JL 15 36C 1 8,-2.3 8,-3.0 -2,-0.3 2,-0.6 -0.997 18.2-130.4-132.2 132.6 23.3 25.6 28.5 29 46 A L E + L 0 35C 1 -15,-2.0 74,-2.3 -2,-0.4 6,-0.2 -0.733 28.0 172.4 -80.8 120.7 22.1 27.8 31.4 30 47 A I E - 0 0 17 4,-2.1 2,-0.3 -2,-0.6 75,-0.2 0.584 68.7 -8.1-105.8 -15.2 18.6 29.2 30.4 31 48 A N E > S- L 0 34C 52 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.838 91.6 -78.4-161.8 179.5 17.7 30.8 33.8 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.547 128.1 29.0 -68.1 -7.1 19.2 30.7 37.3 33 50 A Q T 3 S+ 0 0 56 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.398 108.4 71.8-129.9 4.1 17.7 27.3 38.0 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.1 55,-0.2 -3,-1.1 -0.984 47.8-170.9-132.2 140.3 17.4 25.4 34.7 35 52 A V E -LM 29 88C 0 53,-2.9 53,-2.6 -2,-0.4 2,-0.4 -0.941 12.2-149.6-119.3 144.5 19.8 23.9 32.2 36 53 A V E +LM 28 87C 1 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.2 -0.925 31.2 148.8-111.3 136.8 19.0 22.5 28.7 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.0 -2,-0.4 2,-0.4 -0.726 50.6 -66.8-142.1-163.0 21.1 19.6 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.2 -0.796 32.8-134.8 -93.6 137.1 20.7 16.6 25.1 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.812 106.4 64.6 -60.4 -30.7 18.4 13.8 26.1 40 57 A H G 3 S+ 0 0 55 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.655 93.9 62.6 -68.1 -13.0 21.1 11.2 25.1 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.406 79.1 132.9 -87.3 -0.5 23.2 12.8 27.9 42 59 A Y < + 0 0 129 -3,-2.3 2,-0.3 -5,-0.0 -3,-0.1 -0.230 19.0 137.9 -60.7 138.8 20.6 11.6 30.5 43 60 A K - 0 0 58 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.943 50.0-105.3-166.1 163.1 21.9 9.9 33.6 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.641 95.9 38.7 -93.8 156.9 21.1 10.0 37.4 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.892 75.3 170.3 73.3 42.9 23.5 11.7 39.8 46 63 A I - 0 0 9 -3,-0.3 21,-2.2 -26,-0.1 2,-0.5 -0.752 21.1-159.9 -88.6 137.7 24.4 14.7 37.6 47 64 A Q E -KN 19 66C 51 -28,-3.0 -28,-2.9 -2,-0.4 2,-0.5 -0.969 15.5-140.0-110.6 124.7 26.4 17.6 39.1 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.6 -2,-0.5 2,-0.6 -0.805 12.7-158.2 -89.4 129.2 26.1 20.9 37.1 49 65AA R E -KN 17 64C 51 -32,-3.0 -32,-2.4 -2,-0.5 3,-0.3 -0.923 13.5-177.7-112.4 111.7 29.4 22.8 36.8 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.6 -2,-0.6 -34,-0.1 -0.650 60.2 28.2-102.2 158.9 29.0 26.5 36.0 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.4 -38,-0.3 2,-0.2 0.691 83.5 156.2 66.1 24.1 31.7 29.2 35.4 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.528 22.7 152.6 -87.6 151.3 34.2 26.6 34.2 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.320 82.7 29.5-126.6 -86.6 37.2 27.2 31.9 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.4 1,-0.1 -1,-0.4 -0.702 72.5-160.5 -76.9 113.4 39.7 24.5 32.9 55 73 A I T 3 S+ 0 0 31 78,-2.2 -1,-0.1 -2,-0.8 79,-0.1 0.523 89.6 52.2 -72.8 -3.0 37.5 21.5 34.1 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.383 106.0 57.2-112.6 -1.3 40.5 20.0 35.9 57 75 A V S < S- 0 0 74 -3,-1.4 2,-0.8 76,-0.2 -4,-0.3 -0.999 76.8-131.6-132.4 135.7 41.5 23.1 37.9 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.693 32.8 173.6 -80.5 109.3 39.4 25.2 40.4 59 77 A E - 0 0 95 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.581 51.0 -98.7 -99.6 -12.1 40.1 28.6 39.0 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.250 105.2 77.4 116.4 -15.8 37.7 30.7 41.1 61 79 A N + 0 0 64 -10,-0.4 -9,-0.1 38,-0.0 2,-0.1 0.295 67.1 118.5-106.8 1.4 34.6 31.3 39.1 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.328 40.5-170.1 -71.8 153.3 33.0 27.9 39.4 63 81 A Q E -N 50 0C 36 -13,-1.6 -13,-2.7 -2,-0.1 2,-0.6 -0.972 9.1-162.0-132.7 120.2 29.6 27.1 41.0 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.949 17.9 169.5-108.0 119.2 29.0 23.3 41.4 65 83 A I E -N 48 0C 16 -17,-2.6 -17,-3.2 -2,-0.6 2,-0.1 -0.999 29.2-126.6-132.0 131.6 25.2 22.6 42.0 66 84 A S E -N 47 0C 67 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.413 29.6-109.8 -74.6 149.2 23.5 19.2 42.0 67 85 A A E -O 90 0C 28 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.582 22.7-166.4 -76.6 141.1 20.5 18.5 39.7 68 86 A S E S- 0 0 61 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.740 73.2 -1.4 -96.0 -33.2 17.2 18.2 41.6 69 87 A K E -O 89 0C 86 20,-1.4 20,-2.9 2,-0.0 -1,-0.4 -0.983 58.5-153.9-160.7 145.6 15.3 16.7 38.7 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.981 7.8-165.1-122.6 143.4 15.8 15.8 35.0 71 89 A I E -O 87 0C 33 16,-2.7 16,-2.1 -2,-0.4 2,-0.3 -0.951 5.9-156.9-131.4 106.9 13.1 15.8 32.4 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.614 42.3 -89.8 -78.9 144.5 13.8 14.0 29.0 73 91 A H > - 0 0 23 12,-2.2 3,-1.8 -2,-0.3 -1,-0.1 -0.205 35.9-120.0 -49.1 139.5 11.5 15.3 26.2 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.741 110.3 41.4 -55.9 -32.5 8.3 13.2 26.1 75 93 A S T 3 S+ 0 0 76 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.002 77.2 146.1-106.9 23.2 9.0 12.1 22.5 76 94 A Y < - 0 0 58 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.415 30.6-163.1 -59.4 129.6 12.7 11.4 22.7 77 95 A N > - 0 0 65 5,-2.0 4,-2.7 -2,-0.1 5,-0.4 -0.964 8.1-165.6-116.9 106.4 13.6 8.5 20.5 78 96 A S T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.663 86.9 56.1 -69.4 -16.6 17.0 7.0 21.3 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.911 123.4 22.0 -79.1 -42.3 17.2 5.1 18.1 80 98 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.590 94.6-130.9 -98.3 -15.8 16.7 8.1 15.8 81 99 A L >< + 0 0 34 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.560 50.7 156.9 72.0 12.7 17.8 10.8 18.1 82 100 A N T 3 + 0 0 35 -5,-0.4 -5,-2.0 1,-0.2 -1,-0.3 -0.504 68.2 15.2 -68.4 134.8 14.6 12.8 17.2 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-1.7 1,-0.2 -1,-0.2 0.900 78.6 177.5 65.7 47.3 13.8 15.2 20.0 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.606 35.5 113.8 -85.2 82.0 17.2 15.0 21.6 85 103 A I + 0 0 0 -2,-1.7 -12,-2.2 -47,-0.2 2,-0.3 -0.977 36.9 177.4-151.9 141.2 16.6 17.5 24.4 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.6 -2,-0.3 2,-0.4 -0.973 18.9-139.8-146.0 153.5 16.4 17.4 28.2 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-2.7 -2,-0.3 2,-0.4 -0.915 13.1-164.2-113.9 139.5 15.8 19.9 31.0 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.9 -2,-0.4 2,-0.5 -0.993 7.9-150.8-127.9 122.9 17.7 19.8 34.3 89 107 A K E -MO 34 69C 42 -20,-2.9 -21,-3.2 -2,-0.4 -20,-1.4 -0.860 18.3-130.0 -94.5 131.8 16.6 21.7 37.3 90 108 A L E - 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