==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUL-01 1EB2 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.W.WILKINSON,S.C.YOUNG,J.W.LIEBESCHUETZ,R.L.BRADY . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 74 33.2 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 . 4 1.8 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 . 19 8.5 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 . 1 0.4 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 . 5 1 3 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,-0.3 0.000 360.0 360.0 360.0 128.8 11.4 5.2 28.0 2 17 A V B +A 171 0A 11 169,-3.4 169,-1.9 1,-0.2 123,-0.1 -0.875 360.0 3.5-106.4 132.4 7.8 5.0 29.3 3 18 A G S S+ 0 0 42 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.691 102.5 111.0 68.1 29.8 6.9 7.1 32.4 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.114 59.7-110.7-111.9-151.2 10.2 8.9 32.8 5 20 A Y E -B 137 0B 100 132,-2.4 132,-2.8 -3,-0.1 2,-0.3 -0.931 34.9 -79.6-140.9 166.5 11.2 12.6 32.3 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.439 38.1-151.1 -66.9 116.3 13.3 14.8 30.0 7 22 A a - 0 0 16 128,-2.0 -1,-0.2 -2,-0.3 129,-0.1 0.897 34.7-115.5 -58.6 -45.3 16.9 14.4 31.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.9 4,-0.0 4,-0.3 0.014 49.6 -50.9 111.0 141.2 18.1 17.8 30.2 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.113 118.8 -15.4 -57.0 123.0 20.8 18.5 27.5 10 25 A N T 3 S+ 0 0 27 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.699 90.5 130.3 55.0 28.3 24.0 16.4 28.0 11 26 A T S < S+ 0 0 82 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.590 76.3 46.6 -82.6 -10.6 23.1 15.5 31.6 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.6 87,-0.1 -1,-0.3 -0.735 75.6 173.8-124.9 75.1 23.9 11.8 30.7 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.3 0, 0.0 38,-0.4 0.635 70.5 57.9 -71.8 -9.0 27.1 12.3 28.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.6 88,-0.1 2,-0.4 0.454 82.7 108.4 -90.6 -8.0 28.0 8.6 28.3 15 30 A Q E < -J 28 0C 4 -3,-1.6 36,-0.4 13,-0.2 37,-0.4 -0.626 48.2-179.4 -77.1 122.8 24.8 8.1 26.5 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.0 -2,-0.4 2,-0.4 -0.865 22.4-133.9-118.1 168.2 25.2 7.5 22.7 17 32 A S E -JK 26 49C 1 32,-2.6 32,-2.8 -2,-0.3 2,-0.5 -0.933 13.8-143.0-114.8 133.7 22.8 6.9 19.9 18 33 A L E -JK 25 48C 0 7,-3.4 6,-2.5 -2,-0.4 7,-1.1 -0.898 25.6-167.0 -96.3 129.6 23.5 4.2 17.3 19 34 A N E +JK 23 47C 17 28,-3.2 28,-2.2 -2,-0.5 4,-0.2 -0.946 32.7 169.8-125.4 134.9 22.3 5.3 13.9 20 37 A S S S- 0 0 35 2,-2.4 26,-0.1 -2,-0.4 3,-0.1 -0.453 96.6 -50.3-129.4 50.2 21.8 3.6 10.6 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.517 140.3 36.0 90.8 1.4 20.1 6.5 8.8 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.888 103.6 -84.4-172.7 152.2 17.8 6.6 11.8 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.552 52.0 158.2 -65.5 125.9 18.2 6.1 15.6 24 41 A F E - 0 0 31 -6,-2.5 151,-0.3 1,-0.4 2,-0.3 0.564 58.5 -0.6-126.4 -17.2 17.9 2.3 16.3 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.4 151,-0.1 -1,-0.4 -0.975 60.5-121.3-165.2 163.8 19.6 1.7 19.7 26 43 A G E -J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.474 25.7-177.9-102.6-179.2 21.5 3.4 22.6 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.4 -2,-0.2 2,-0.4 -0.909 23.3-118.3-167.3 171.9 25.0 2.5 23.8 28 45 A S E -JL 15 36C 0 8,-2.1 8,-3.0 -2,-0.3 2,-0.4 -0.999 19.8-130.4-130.3 125.1 27.3 3.7 26.6 29 46 A L E + L 0 35C 0 -15,-2.6 74,-2.0 -2,-0.4 6,-0.2 -0.659 28.3 172.7 -73.9 126.0 30.7 5.3 26.1 30 47 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.544 68.0 -6.5-116.4 -10.7 33.2 3.5 28.3 31 48 A N E > S- L 0 34C 53 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.916 90.3 -80.3-162.2-179.3 36.5 5.1 27.0 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.700 127.8 30.0 -65.5 -22.0 37.3 7.5 24.2 33 50 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.387 110.8 65.3-113.2 -0.5 37.3 4.7 21.6 34 51 A W E < -LM 31 89C 5 -3,-0.8 -4,-2.5 55,-0.2 -3,-1.3 -0.986 49.4-170.5-133.0 144.1 34.8 2.1 22.8 35 52 A V E -LM 29 88C 0 53,-2.4 53,-3.1 -2,-0.4 2,-0.5 -0.952 16.1-141.7-127.1 140.1 31.0 1.9 23.4 36 53 A V E +LM 28 87C 0 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.2 -0.905 35.6 146.5-101.1 136.2 29.1 -0.9 25.1 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.5 2,-0.4 -0.688 50.0 -68.4-149.0-167.3 25.7 -1.8 23.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.775 31.0-133.3 -93.9 144.4 23.5 -4.9 23.3 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.883 107.1 64.6 -60.9 -32.0 24.4 -7.7 20.9 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.650 93.5 63.2 -69.5 -7.3 20.8 -7.7 19.5 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.380 78.2 131.1 -90.3 1.5 21.6 -4.2 18.3 42 59 A Y < + 0 0 123 -3,-2.4 2,-0.3 -4,-0.1 -3,-0.1 -0.236 20.8 138.5 -60.3 139.9 24.3 -5.5 15.9 43 60 A K - 0 0 55 3,-0.0 3,-0.4 0, 0.0 2,-0.1 -0.941 51.2 -99.5-167.4 158.6 24.3 -4.4 12.3 44 61 A S S S+ 0 0 101 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.400 98.3 31.7 -74.8 163.1 26.9 -3.4 9.8 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.3 22,-0.1 -1,-0.2 0.801 75.7 176.5 63.8 35.4 27.6 0.3 9.1 46 63 A I - 0 0 4 -3,-0.4 21,-2.9 -26,-0.1 2,-0.5 -0.516 17.6-158.5 -74.9 139.3 26.8 1.8 12.5 47 64 A Q E -KN 19 66C 52 -28,-2.2 -28,-3.2 -2,-0.3 2,-0.5 -0.961 11.3-147.0-114.5 121.2 27.3 5.5 13.1 48 65 A V E -KN 18 65C 0 17,-2.7 17,-2.7 -2,-0.5 2,-0.6 -0.857 8.1-160.5 -92.0 128.9 27.8 6.4 16.7 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.6 -2,-0.5 3,-0.3 -0.963 12.7-177.6-116.6 113.1 26.4 9.8 17.7 50 67 A L E + N 0 63C 1 13,-2.7 13,-2.0 -2,-0.6 -34,-0.1 -0.625 62.1 32.8-102.8 162.5 27.8 11.2 21.0 51 69 A G S S+ 0 0 4 -36,-0.4 2,-0.2 -38,-0.4 -1,-0.2 0.662 84.4 154.6 63.7 19.0 26.9 14.4 22.7 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.532 20.8 151.0 -82.3 147.0 23.3 14.2 21.5 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.2 -1,-0.1 0.360 82.1 29.6-124.2 -79.7 20.2 15.7 23.2 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.718 73.8-161.6 -76.6 116.2 17.7 16.3 20.4 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.526 85.9 54.2 -78.6 -2.8 18.6 13.6 17.8 56 74 A N T 3 S+ 0 0 111 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.350 103.9 52.7-108.0 2.4 16.8 15.5 15.1 57 75 A V S < S- 0 0 81 -3,-1.2 2,-0.7 76,-0.2 -4,-0.2 -0.996 78.3-126.6-133.5 137.1 18.5 18.9 15.3 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.732 39.8 164.4 -78.7 115.8 22.3 19.7 15.2 59 77 A E - 0 0 102 -2,-0.7 -1,-0.2 1,-0.3 2,-0.1 0.504 53.6 -95.4-108.7 -13.7 22.5 21.8 18.4 60 78 A G S S+ 0 0 35 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.099 102.2 72.3 108.0 157.7 26.3 21.7 18.8 61 79 A N + 0 0 57 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.086 68.5 128.7 83.0 -15.9 28.1 19.2 21.1 62 80 A E - 0 0 33 -13,-0.1 2,-0.4 -11,-0.0 -1,-0.3 -0.404 37.4-171.3 -67.1 145.4 27.4 16.3 18.7 63 81 A Q E -N 50 0C 35 -13,-2.0 -13,-2.7 -3,-0.1 2,-0.6 -0.986 6.0-162.7-130.0 123.1 30.3 14.0 17.6 64 82 A F E +N 49 0C 84 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 17.1 170.6-108.1 114.5 29.4 11.5 14.7 65 83 A I E -N 48 0C 13 -17,-2.7 -17,-2.7 -2,-0.6 2,-0.1 -0.996 30.1-125.6-128.7 124.8 32.0 8.8 14.5 66 84 A S E -N 47 0C 61 -2,-0.4 25,-2.9 -19,-0.2 2,-0.4 -0.383 29.6-111.7 -64.8 144.7 31.6 5.6 12.4 67 85 A A E -O 90 0C 23 -21,-2.9 23,-0.3 23,-0.2 3,-0.1 -0.639 27.0-171.9 -67.4 131.8 32.1 2.3 14.1 68 86 A S E S+ 0 0 61 21,-2.9 2,-0.3 -2,-0.4 22,-0.2 0.779 75.9 15.9 -92.9 -30.0 35.3 0.6 12.9 69 87 A K E -O 89 0C 76 20,-1.6 20,-2.8 2,-0.0 2,-0.4 -0.999 58.3-167.1-141.7 141.3 34.5 -2.7 14.7 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.953 15.6-168.9-130.5 105.7 31.3 -4.1 16.2 71 89 A I E -O 87 0C 39 16,-3.2 16,-2.8 -2,-0.4 2,-0.2 -0.847 4.9-161.4-105.4 104.6 32.0 -7.1 18.4 72 90 A V E -O 86 0C 44 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.556 39.1 -95.9 -80.8 136.0 29.1 -9.3 19.6 73 91 A H > - 0 0 25 12,-2.5 3,-1.7 10,-0.3 -1,-0.1 -0.306 33.5-127.6 -50.9 135.8 29.8 -11.6 22.6 74 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.762 107.3 48.6 -63.2 -24.4 30.7 -15.0 21.2 75 93 A S T 3 S+ 0 0 74 2,-0.1 -2,-0.1 8,-0.1 2,-0.1 0.260 78.1 136.2-100.1 12.1 28.2 -16.8 23.4 76 94 A Y < - 0 0 56 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.354 38.9-161.2 -56.3 133.9 25.4 -14.4 22.5 77 95 A N B >> -P 82 0D 59 5,-2.0 4,-2.5 1,-0.1 5,-0.6 -0.966 9.9-162.2-122.2 114.4 22.2 -16.5 21.8 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.553 88.0 58.3 -72.2 -15.7 19.5 -14.6 19.9 79 97 A N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.835 124.0 20.0 -79.9 -38.8 16.8 -17.0 20.9 80 98 A T T 45S- 0 0 70 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.573 94.5-128.7-104.4 -19.6 17.3 -16.5 24.7 81 99 A L T ><5 + 0 0 35 -4,-2.5 3,-0.6 1,-0.3 -3,-0.2 0.544 51.3 158.3 71.1 17.9 19.1 -13.1 24.7 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.3 -0.454 66.4 15.5 -69.4 139.5 21.8 -14.7 27.0 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.943 80.3 178.8 63.2 48.6 25.0 -12.7 26.8 84 102 A D < + 0 0 1 -3,-0.6 2,-0.3 75,-0.2 123,-0.2 -0.532 33.5 116.3 -88.7 75.8 23.3 -9.7 25.2 85 103 A I - 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