==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-DEC-04 1Y5B . COMPND 2 MOLECULE: TRYPSIN, CATIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.DI FENZA,A.HEINE,G.KLEBE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9290.0 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 . 72 32.3 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 . 21 9.4 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 . 4 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 T I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.5 2.3 14.7 22.2 2 17 T V B +A 171 0A 9 169,-3.0 169,-1.7 1,-0.2 123,-0.1 -0.870 360.0 6.7 -99.0 130.6 0.1 14.9 19.1 3 18 T G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.710 104.5 114.7 76.8 13.7 -1.7 11.7 17.9 4 19 T G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.038 57.8-115.2 -98.0-155.2 -0.6 9.7 20.9 5 20 T Y E -B 137 0B 93 132,-2.6 132,-2.9 -3,-0.1 2,-0.3 -0.966 34.0 -83.1-145.7 157.9 -2.4 8.0 23.8 6 21 T T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.506 38.0-151.2 -61.9 123.4 -2.7 8.2 27.6 7 22 T a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.3 129,-0.1 0.899 35.3-112.1 -61.9 -44.1 0.2 6.2 28.9 8 23 T G > - 0 0 26 127,-0.5 3,-2.0 4,-0.0 4,-0.3 0.068 48.5 -56.8 106.0 138.4 -1.3 5.1 32.1 9 24 T A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.240 117.5 -12.0 -54.2 124.7 -0.3 6.2 35.6 10 25 T N T 3 S+ 0 0 30 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.594 90.5 126.9 65.0 20.4 3.4 5.6 36.3 11 26 T T S < S+ 0 0 82 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.597 76.3 48.3 -80.3 -7.9 4.0 3.3 33.3 12 27 T V S > S+ 0 0 6 -4,-0.3 3,-2.4 87,-0.1 -1,-0.3 -0.687 74.3 174.2-125.8 71.2 6.9 5.6 32.3 13 28 T P T 3 S+ 0 0 34 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.562 71.1 57.6 -68.6 -10.0 8.6 5.7 35.6 14 29 T Y T 3 S+ 0 0 22 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.448 81.3 108.5 -91.5 -8.5 11.7 7.6 34.4 15 30 T Q E < -J 28 0C 5 -3,-2.4 36,-0.4 13,-0.2 37,-0.4 -0.603 49.2-175.7 -76.1 129.6 9.6 10.5 33.1 16 31 T V E -J 27 0C 1 11,-2.2 11,-1.1 -2,-0.4 2,-0.5 -0.859 20.5-136.0-118.6 158.2 9.9 13.6 35.2 17 32 T S E -JK 26 49C 1 32,-2.4 32,-2.9 -2,-0.3 2,-0.5 -0.961 14.3-141.9-110.1 128.2 8.2 17.0 35.0 18 33 T L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.5 7,-1.1 -0.835 26.5-169.7 -90.1 125.4 10.3 20.2 35.4 19 34 T N E +JK 23 47C 20 28,-3.0 28,-2.5 -2,-0.5 4,-0.2 -0.980 31.8 167.9-125.9 129.8 8.4 22.7 37.5 20 37 T S S S- 0 0 34 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.300 97.9 -47.5-128.9 47.4 8.9 26.4 38.2 21 38 T G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.175 140.5 32.6 100.7 -7.6 5.5 27.1 39.7 22 39 T Y S S- 0 0 128 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.952 100.8 -83.7-161.7 158.3 4.2 25.3 36.6 23 40 T H E +J 19 0C 40 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.570 50.9 155.5 -64.9 133.3 5.1 22.4 34.3 24 41 T F E + 0 0 34 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.514 58.7 4.0-130.7 -13.5 7.5 23.7 31.6 25 42 T b E -J 18 0C 7 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.983 60.1-122.3-161.7 161.4 9.5 20.7 30.4 26 43 T G E +J 17 0C 1 151,-3.1 12,-0.3 -2,-0.3 2,-0.3 -0.468 27.6 175.9 -97.1 178.7 10.1 17.0 30.6 27 44 T G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.935 24.8-115.1-170.4 172.6 13.3 15.1 31.6 28 45 T S E -JL 15 36C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.986 18.3-129.3-129.8 131.0 14.5 11.6 32.3 29 46 T L E + L 0 35C 0 -15,-2.3 74,-2.8 -2,-0.4 6,-0.2 -0.649 28.4 172.5 -73.9 116.1 15.8 10.1 35.5 30 47 T I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.6 75,-0.2 0.681 68.6 -9.9-105.7 -16.5 19.1 8.4 34.7 31 48 T N E > S- L 0 34C 52 3,-1.3 3,-1.2 70,-0.1 -1,-0.4 -0.950 87.0 -81.5-161.6 177.1 20.0 7.6 38.2 32 49 T S T 3 S+ 0 0 35 -2,-0.3 62,-3.3 1,-0.3 60,-0.1 0.742 127.2 34.9 -60.8 -16.4 18.8 8.4 41.7 33 50 T Q T 3 S+ 0 0 85 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.484 111.2 58.8-113.9 -3.5 20.6 11.7 41.7 34 51 T W E < -LM 31 89C 8 -3,-1.2 -4,-2.4 55,-0.2 -3,-1.3 -0.989 48.6-165.6-142.1 143.3 20.5 13.0 38.1 35 52 T V E -LM 29 88C 0 53,-2.4 53,-2.4 -2,-0.4 2,-0.5 -0.936 13.6-146.4-118.6 139.7 18.1 14.0 35.3 36 53 T V E +LM 28 87C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.2 -0.913 32.3 151.0-101.6 132.0 18.8 14.5 31.7 37 54 T S E - M 0 86C 0 49,-2.9 49,-2.5 -2,-0.5 2,-0.3 -0.737 48.3 -73.6-138.3-170.5 16.8 17.2 29.8 38 55 T A > - 0 0 0 -12,-0.3 3,-1.6 47,-0.3 47,-0.3 -0.692 32.3-129.0 -85.4 140.6 17.3 19.6 26.8 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.830 107.9 66.1 -58.6 -33.5 19.5 22.7 27.1 40 57 T H G 3 S+ 0 0 58 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.624 92.1 62.8 -70.9 -7.4 16.7 24.8 25.8 41 58 T b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.338 77.0 135.0 -87.2 -2.0 14.7 24.0 29.0 42 59 T Y < + 0 0 134 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.242 19.1 138.8 -53.7 135.7 17.3 25.7 31.1 43 60 T K - 0 0 53 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.928 49.3-106.7-161.0 162.4 16.0 28.0 33.8 44 61 T S S S+ 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.439 94.3 38.4 -82.7 163.9 16.9 28.8 37.3 45 62 T G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.912 75.8 173.8 69.8 40.3 14.8 27.6 40.3 46 63 T I - 0 0 9 -3,-0.3 21,-2.5 -26,-0.1 2,-0.5 -0.662 19.0-165.1 -83.8 134.6 13.8 24.2 38.9 47 64 T Q E -KN 19 66C 49 -28,-2.5 -28,-3.0 -2,-0.4 2,-0.5 -0.984 16.3-141.2-112.7 130.4 11.9 21.6 41.0 48 65 T V E -KN 18 65C 0 17,-3.0 17,-2.8 -2,-0.5 2,-0.6 -0.797 11.4-157.8 -91.9 126.1 11.9 18.1 39.6 49 66 T R E -KN 17 64C 50 -32,-2.9 -32,-2.4 -2,-0.5 3,-0.3 -0.944 13.9-177.5-113.6 112.8 8.7 16.3 40.0 50 67 T L E + N 0 63C 2 13,-3.1 13,-2.0 -2,-0.6 -34,-0.1 -0.670 60.6 31.1-103.8 159.3 8.9 12.5 39.9 51 69 T G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.691 84.4 155.6 69.0 18.6 6.2 9.8 40.0 52 70 T E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.569 21.7 150.3 -81.9 140.1 3.8 12.1 38.3 53 71 T D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 82,-0.2 0.435 80.9 30.2-120.7 -76.1 0.8 11.2 36.2 54 72 T N S > S- 0 0 28 80,-0.2 3,-1.2 3,-0.1 -1,-0.4 -0.742 72.6-161.5 -79.5 112.6 -1.8 14.0 36.6 55 73 T I T 3 S+ 0 0 31 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.566 87.1 52.1 -76.6 -5.8 0.5 17.0 37.1 56 74 T N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.300 105.9 59.0-108.8 4.9 -2.4 19.1 38.5 57 75 T V S < S- 0 0 72 -3,-1.2 2,-0.8 76,-0.2 -4,-0.3 -0.998 77.5-128.4-136.9 135.7 -3.5 16.6 41.2 58 76 T V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.787 33.5 170.9 -82.5 107.3 -1.6 15.0 44.1 59 77 T E - 0 0 99 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.480 52.0-102.4-102.2 -14.1 -2.3 11.3 43.5 60 78 T G S S+ 0 0 55 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.409 102.5 77.3 113.8 2.2 0.1 9.9 46.1 61 79 T N + 0 0 56 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.350 64.9 123.0-121.6 12.8 3.2 8.7 44.4 62 80 T E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.371 40.9-163.9 -73.7 148.6 4.9 12.0 43.7 63 81 T Q E -N 50 0C 36 -13,-2.0 -13,-3.1 -2,-0.1 2,-0.6 -0.984 5.8-164.1-128.1 118.3 8.4 13.1 44.8 64 82 T F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 17.8 168.8-102.1 116.8 9.1 16.8 44.6 65 83 T I E -N 48 0C 13 -17,-2.8 -17,-3.0 -2,-0.6 2,-0.1 -0.994 28.7-128.7-134.6 128.4 12.9 17.5 44.7 66 84 T S E -N 47 0C 64 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.404 27.8-110.9 -71.9 149.5 14.6 20.8 44.1 67 85 T A E -O 90 0C 29 -21,-2.5 23,-0.2 23,-0.2 3,-0.1 -0.612 22.6-169.6 -76.1 140.6 17.6 21.0 41.7 68 86 T S E S+ 0 0 67 21,-2.6 2,-0.3 1,-0.4 22,-0.1 0.623 72.7 6.2 -98.8 -22.8 20.9 21.6 43.3 69 87 T K E -O 89 0C 91 20,-1.0 20,-2.6 2,-0.0 2,-0.4 -0.969 56.3-155.4-159.8 144.6 22.7 22.2 40.0 70 88 T S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.980 8.6-168.0-120.0 140.6 22.1 22.6 36.3 71 89 T I E -O 87 0C 36 16,-2.8 16,-2.3 -2,-0.4 2,-0.2 -0.879 4.7-161.9-130.2 101.6 24.8 21.9 33.7 72 90 T V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.488 44.7 -86.4 -72.3 146.1 24.1 23.0 30.1 73 91 T H > - 0 0 21 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.297 36.7-122.9 -57.9 138.3 26.3 21.2 27.6 74 92 T P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.801 110.5 37.7 -56.0 -30.7 29.5 23.2 27.2 75 93 T S T 3 S+ 0 0 75 8,-0.1 -2,-0.1 2,-0.0 9,-0.1 0.223 79.4 146.6-107.3 14.3 28.9 23.6 23.4 76 94 T Y < - 0 0 52 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.346 32.4-158.9 -53.8 132.2 25.1 24.1 23.4 77 95 T N B >>> -P 82 0D 68 5,-2.2 4,-2.6 1,-0.1 3,-0.8 -0.947 10.6-166.9-120.4 106.0 24.2 26.5 20.6 78 96 T S T 345S+ 0 0 84 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.558 85.0 61.7 -72.0 -10.3 20.8 28.1 21.0 79 97 T E T 345S+ 0 0 84 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.794 124.0 15.8 -82.2 -31.9 20.8 29.4 17.4 80 98 T T T <45S- 0 0 65 -3,-0.8 -2,-0.2 2,-0.1 3,-0.1 0.548 96.9-124.4-120.0 -10.0 20.9 26.0 15.9 81 99 T Y T ><5 + 0 0 91 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.550 53.7 158.8 70.3 16.4 19.9 23.7 18.9 82 100 T N B 3 < +P 77 0D 34 -5,-0.8 -5,-2.2 1,-0.3 -1,-0.3 -0.524 65.8 16.0 -68.5 130.3 23.1 21.7 18.4 83 101 T N T 3 S+ 0 0 18 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.896 80.5 178.9 65.2 46.2 24.1 19.9 21.6 84 102 T D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.507 34.7 113.2 -81.1 72.8 20.7 20.4 23.1 85 103 T I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.997 37.3 179.0-148.3 144.0 21.3 18.6 26.4 86 104 T M E -MO 37 72C 0 -49,-2.5 -49,-2.9 -2,-0.3 2,-0.4 -0.989 18.2-140.4-147.5 146.2 21.5 19.5 30.0 87 105 T L E -MO 36 71C 0 -16,-2.3 -16,-2.8 -2,-0.3 2,-0.4 -0.859 12.7-163.3-108.0 139.0 22.1 17.6 33.3 88 106 T I E -MO 35 70C 0 -53,-2.4 -53,-2.4 -2,-0.4 2,-0.4 -0.999 8.5-148.7-124.4 125.8 20.2 18.5 36.5 89 107 T K E -MO 34 69C 45 -20,-2.6 -21,-2.6 -2,-0.4 -20,-1.0 -0.777 18.0-128.1 -92.8 135.1 21.4 17.3 39.9 90 108 T L E - 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