==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-05 2A32 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.R.TRANSUE,S.A.GABEL,R.E.LONDON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 70 31.4 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 . 14 6.3 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 . 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 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,-0.4 0.000 360.0 360.0 360.0 118.1 25.4 28.4 7.9 2 17 A V B +A 171 0A 8 169,-2.5 169,-2.0 1,-0.2 123,-0.1 -0.844 360.0 13.2 -96.4 133.8 22.9 27.3 10.6 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.695 102.3 116.2 84.3 16.3 19.8 29.4 11.2 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 120,-0.1 134,-0.2 -0.067 58.2-120.7 -97.9-161.0 20.2 31.4 7.9 5 20 A Y E -B 137 0B 103 132,-2.2 132,-2.9 -3,-0.1 2,-0.4 -0.938 37.3 -86.3-140.6 160.0 18.2 31.8 4.7 6 21 A T E -B 136 0B 68 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.565 47.4-125.6 -72.1 122.7 19.0 31.1 1.1 7 22 A a - 0 0 4 128,-2.1 3,-0.1 -2,-0.4 2,-0.1 -0.370 31.4 -96.0 -59.0 149.2 20.7 34.2 -0.4 8 23 A A > - 0 0 68 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.420 61.2 -83.3 -58.2 140.8 19.2 35.7 -3.6 9 24 A A T 3 S- 0 0 58 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.236 109.0 -5.8 -57.6 130.5 21.1 34.2 -6.5 10 25 A N T 3 S+ 0 0 34 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.617 93.8 125.5 61.5 16.8 24.3 36.1 -7.2 11 26 A S S < S+ 0 0 63 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.554 71.1 53.1 -81.2 -8.2 23.4 38.7 -4.6 12 27 A I S > S+ 0 0 11 -4,-0.3 3,-2.1 1,-0.1 -1,-0.2 -0.688 70.3 170.0-121.4 70.0 26.8 38.1 -2.9 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.642 70.6 57.9 -74.4 -11.8 29.1 38.6 -5.9 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.521 82.7 107.6 -85.7 -10.8 32.3 38.6 -3.9 15 30 A Q E < -J 28 0C 3 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.613 49.0-174.5 -72.4 129.9 31.7 35.1 -2.5 16 31 A V E -J 27 0C 1 11,-2.3 11,-1.1 -2,-0.4 2,-0.5 -0.835 20.7-138.1-116.5 157.4 33.8 32.3 -3.8 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.9 -2,-0.3 2,-0.5 -0.965 15.5-145.2-106.7 128.9 33.8 28.6 -3.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.7 -2,-0.5 7,-1.2 -0.872 24.3-171.7 -93.2 127.9 37.2 27.0 -3.0 19 34 A N E +JK 23 47C 15 28,-2.9 28,-2.7 -2,-0.5 4,-0.2 -0.956 29.8 167.3-127.6 135.3 37.1 23.5 -4.6 20 37 A S S S- 0 0 64 2,-2.1 3,-0.1 -2,-0.4 -1,-0.1 -0.118 98.2 -39.2-135.9 39.8 39.6 20.6 -4.7 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.257 142.2 19.9 118.3 -32.8 37.4 17.9 -6.1 22 39 A S S S- 0 0 83 -4,-0.1 -2,-2.1 0, 0.0 2,-0.2 -0.937 102.9 -76.0-146.4 167.4 34.4 19.3 -4.0 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.436 53.4 158.7 -59.4 134.5 33.6 22.6 -2.2 24 41 A F E + 0 0 33 -6,-2.7 2,-0.3 1,-0.4 151,-0.3 0.610 56.3 4.7-132.8 -25.2 35.7 22.8 1.0 25 42 A b E -J 18 0C 7 -7,-1.2 -7,-3.1 151,-0.1 -1,-0.4 -0.982 62.2-118.8-154.5 163.0 35.9 26.5 2.0 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.450 26.9 178.0 -92.3 176.3 34.7 30.0 1.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.1 2,-0.4 -0.955 23.0-121.2-164.5 175.4 36.7 33.1 0.2 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.994 18.5-129.3-130.5 130.8 36.1 36.7 -0.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.672 34.5 163.7 -80.2 123.0 37.2 38.4 -4.0 30 47 A I E + 0 0 21 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.550 67.6 10.9-120.3 -10.7 39.1 41.6 -3.0 31 48 A N E > S- L 0 34C 56 3,-1.4 3,-1.1 70,-0.1 -1,-0.3 -0.955 87.8 -97.2-153.0 164.9 40.9 42.4 -6.3 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.811 125.9 31.4 -58.2 -24.6 40.5 40.9 -9.9 33 50 A Q T 3 S+ 0 0 71 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.425 112.7 69.1-111.4 -0.3 43.5 38.6 -9.2 34 51 A W E < -LM 31 89C 3 -3,-1.1 -4,-2.2 55,-0.2 -3,-1.4 -0.983 47.8-172.8-137.0 134.4 43.2 37.9 -5.4 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.946 16.3-146.7-111.5 140.0 40.9 36.0 -3.1 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.4 -2,-0.4 51,-0.2 -0.897 31.7 145.5-109.5 141.5 41.2 36.2 0.7 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.1 -2,-0.4 2,-0.4 -0.674 49.2 -64.9-148.6-167.1 40.3 33.2 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.818 30.0-136.1 -96.4 137.8 41.4 31.4 6.1 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.3 1,-0.2 -1,-0.1 0.811 104.2 65.1 -57.7 -31.7 44.8 29.8 6.5 40 57 A H G 3 S+ 0 0 75 1,-0.3 -1,-0.2 41,-0.1 137,-0.0 0.605 94.3 63.2 -73.1 -9.6 43.2 26.7 8.2 41 58 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.388 79.3 142.7 -79.3 -4.6 41.6 26.1 4.8 42 59 A Y < + 0 0 111 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.1 -0.131 16.8 160.4 -55.1 138.4 45.0 25.6 3.2 43 60 A K - 0 0 81 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.936 43.9-125.6-139.4 155.9 45.5 23.0 0.4 44 61 A S S S+ 0 0 90 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.712 99.1 37.9 -82.8 -16.7 48.4 23.1 -2.0 45 62 A R S S+ 0 0 217 2,-0.0 2,-0.3 -25,-0.0 -1,-0.2 -0.999 71.9 168.8-130.6 134.7 46.1 23.0 -5.1 46 63 A I - 0 0 7 -2,-0.4 21,-2.9 21,-0.3 2,-0.5 -0.996 24.8-150.9-145.3 136.1 42.8 25.0 -5.2 47 64 A Q E -KN 19 66C 47 -28,-2.7 -28,-2.9 -2,-0.3 2,-0.5 -0.938 20.5-143.9-103.9 127.6 40.3 25.8 -7.9 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.8 -2,-0.5 2,-0.6 -0.820 9.5-159.0 -92.9 127.0 38.4 29.1 -7.2 49 66 A R E -KN 17 64C 50 -32,-2.9 -32,-2.2 -2,-0.5 3,-0.3 -0.928 13.7-176.5-113.7 110.0 34.8 29.1 -8.3 50 67 A L E + N 0 63C 2 13,-3.1 13,-2.1 -2,-0.6 -34,-0.1 -0.674 60.5 29.5-101.3 158.1 33.4 32.6 -8.8 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.3 -38,-0.3 10,-0.2 0.742 85.1 153.5 67.2 23.5 29.8 33.6 -9.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.605 22.5 150.1 -85.6 147.1 28.3 30.6 -8.0 53 71 A H S S+ 0 0 15 1,-0.3 82,-1.2 -2,-0.3 2,-0.8 0.465 81.3 35.3-124.6 -63.8 24.9 30.1 -6.5 54 72 A N B > -P 134 0D 25 3,-0.2 3,-1.1 80,-0.2 -1,-0.3 -0.856 69.3-167.9 -89.4 104.7 24.1 26.4 -6.9 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.644 84.8 54.3 -73.5 -9.6 27.5 24.7 -6.5 56 74 A D T 3 S+ 0 0 112 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.429 106.7 53.5 -98.9 -4.9 26.1 21.4 -7.8 57 75 A V S < S- 0 0 75 -3,-1.1 2,-0.6 76,-0.2 -4,-0.2 -0.998 78.4-125.8-135.4 135.5 24.7 22.8 -11.2 58 76 A L + 0 0 130 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.693 31.6 172.8 -79.3 113.2 26.3 24.8 -14.0 59 77 A E - 0 0 109 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.572 49.0-109.2-104.8 -19.3 24.0 27.9 -14.3 60 78 A G S S+ 0 0 63 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 -0.076 100.7 79.4 119.6 -27.6 26.1 29.8 -16.8 61 79 A N + 0 0 66 -10,-0.2 2,-0.1 2,-0.0 38,-0.1 0.321 67.4 116.6 -92.3 3.4 27.6 32.8 -14.9 62 80 A E - 0 0 28 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.380 46.5-162.0 -69.0 152.1 30.4 30.8 -13.1 63 81 A Q E -N 50 0C 33 -13,-2.1 -13,-3.1 -2,-0.1 2,-0.6 -0.982 5.4-161.7-129.7 123.3 34.1 31.4 -13.7 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.943 17.9 170.4-107.0 118.0 36.4 28.6 -12.6 65 83 A I E -N 48 0C 14 -17,-2.8 -17,-3.0 -2,-0.6 2,-0.1 -0.992 27.8-129.5-135.5 127.1 40.0 29.7 -12.2 66 84 A N E -N 47 0C 92 -2,-0.4 25,-2.6 -19,-0.2 2,-0.4 -0.444 28.9-108.6 -75.2 148.2 42.9 27.8 -10.6 67 85 A A E -O 90 0C 22 -21,-2.9 -21,-0.3 23,-0.2 23,-0.2 -0.657 27.5-175.0 -72.4 132.4 45.0 29.3 -7.9 68 86 A A E S+ 0 0 65 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.732 75.7 24.0 -94.1 -35.1 48.5 30.2 -9.1 69 87 A K E -O 89 0C 80 20,-1.4 20,-2.3 2,-0.0 2,-0.4 -0.994 59.2-170.8-137.4 141.3 49.8 31.2 -5.6 70 88 A I E -O 88 0C 33 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.961 13.9-179.8-133.8 108.6 48.5 30.2 -2.1 71 89 A I E -O 87 0C 42 16,-2.8 16,-2.8 -2,-0.4 2,-0.2 -0.947 9.7-161.4-123.1 110.2 50.1 32.3 0.7 72 90 A T E -O 86 0C 53 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.565 40.9 -87.3 -85.3 154.5 49.2 31.7 4.3 73 91 A H > - 0 0 17 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.358 35.2-130.9 -61.8 133.2 50.0 34.4 6.9 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.784 106.2 46.6 -64.0 -21.9 53.6 33.9 8.2 75 93 A N T 3 S+ 0 0 109 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.194 77.3 140.4-105.8 16.4 52.4 34.0 11.8 76 94 A F < - 0 0 65 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.384 37.5-158.1 -55.0 129.1 49.4 31.7 11.5 77 95 A N > - 0 0 70 5,-2.0 4,-2.1 1,-0.1 5,-0.3 -0.982 10.8-158.5-116.5 119.0 49.3 29.5 14.6 78 96 A G T 4 S+ 0 0 57 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.636 90.4 51.8 -72.5 -14.8 47.4 26.2 14.2 79 97 A N T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.937 125.0 21.3 -84.0 -53.5 46.8 25.8 17.9 80 98 A T T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 77,-0.1 0.684 95.2-131.8 -94.0 -13.4 45.3 29.3 18.7 81 99 A L >< + 0 0 35 -4,-2.1 3,-0.8 1,-0.3 -3,-0.1 0.503 48.3 160.6 67.1 15.3 44.1 30.1 15.2 82 100 A D T 3 + 0 0 35 -5,-0.3 -5,-2.0 1,-0.2 -1,-0.3 -0.404 64.6 18.1 -62.4 142.7 45.8 33.5 15.5 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.884 77.9 176.4 62.9 43.1 46.4 35.1 12.1 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.508 33.7 117.8 -82.6 78.7 43.9 32.8 10.4 85 103 A I - 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