==== 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 26-JUL-05 2AH4 . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.S.RADISKY,J.M.LEE,C.J.LU,D.E.KOSHLAND JR. . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9102.0 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 . 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 . 16 7.2 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 . 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 . 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 X I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.9 35.3 20.3 18.8 2 17 X V B +A 171 0A 12 169,-2.8 169,-2.0 1,-0.2 123,-0.1 -0.863 360.0 6.6-101.9 129.5 37.6 19.5 15.8 3 18 X G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.697 102.4 118.2 77.1 21.8 39.2 22.4 14.0 4 19 X G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.003 57.4-112.0 -98.7-155.3 38.1 25.1 16.4 5 20 X Y E -B 137 0B 97 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.923 34.8 -87.0-142.6 158.4 39.8 27.5 18.7 6 21 X T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.614 36.7-151.5 -70.6 119.6 40.2 28.1 22.4 7 22 X a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.890 35.4-113.2 -60.1 -44.4 37.2 30.2 23.4 8 23 X G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.012 47.1 -57.1 106.0 141.0 38.8 32.0 26.3 9 24 X A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.222 117.7 -11.5 -58.4 125.5 37.9 31.5 30.0 10 25 X N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.670 91.3 126.0 62.1 22.5 34.2 32.3 30.7 11 26 X T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.570 74.7 50.6 -83.5 -8.8 33.6 33.9 27.2 12 27 X V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.775 74.5 175.4-124.1 75.0 30.7 31.4 26.7 13 28 X P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.635 71.5 55.2 -75.2 -11.5 28.9 32.1 30.0 14 29 X Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.450 81.8 110.6 -89.7 -8.6 25.8 29.9 29.3 15 30 X Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.586 48.4-172.8 -73.7 127.3 28.0 26.8 28.6 16 31 X V E -J 27 0C 1 11,-2.5 11,-1.1 -2,-0.4 2,-0.5 -0.858 19.6-139.5-114.9 155.9 27.7 24.1 31.2 17 32 X S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.5 -0.966 16.3-142.7-106.3 128.4 29.5 20.8 31.8 18 33 X L E -JK 25 48C 0 7,-2.9 6,-2.5 -2,-0.5 7,-0.9 -0.837 24.7-167.5 -91.5 126.3 27.4 17.9 32.9 19 34 X N E +JK 23 47C 19 28,-2.7 28,-2.6 -2,-0.5 4,-0.2 -0.957 32.0 167.1-125.5 131.6 29.4 15.8 35.4 20 37 X S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.267 98.2 -47.0-129.1 48.0 28.8 12.3 36.9 21 38 X G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.191 140.3 29.1 101.8 -10.6 32.3 12.0 38.4 22 39 X Y S S- 0 0 132 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.938 102.0 -81.0-169.3 153.9 33.7 13.2 35.1 23 40 X H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.532 51.1 157.3 -63.8 129.7 32.5 15.5 32.2 24 41 X F E + 0 0 32 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.510 57.6 2.8-129.1 -15.9 30.2 13.6 29.8 25 42 X b E -J 18 0C 10 -7,-0.9 -7,-2.9 151,-0.1 -1,-0.4 -0.980 62.2-116.4-163.2 160.0 28.1 16.2 28.0 26 43 X G E +J 17 0C 1 151,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.411 28.2 177.7 -90.7 175.9 27.5 19.8 27.5 27 44 X G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.1 2,-0.4 -0.945 23.7-120.1-165.0 175.7 24.4 21.9 28.2 28 45 X S E -JL 15 36C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.5 -0.990 18.5-131.7-131.5 127.0 23.1 25.4 28.1 29 46 X L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.687 26.9 173.7 -77.7 119.2 21.8 27.5 31.0 30 47 X I E - 0 0 18 4,-2.5 2,-0.3 -2,-0.5 75,-0.2 0.597 67.4 -8.3-108.2 -10.9 18.5 29.1 30.0 31 48 X N E > S- L 0 34C 51 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.908 91.4 -76.7-164.0-178.7 17.6 30.7 33.4 32 49 X S T 3 S+ 0 0 43 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.685 127.7 28.1 -63.1 -18.7 18.9 30.6 36.9 33 50 X Q T 3 S+ 0 0 59 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.422 109.3 69.3-122.4 3.2 17.5 27.1 37.6 34 51 X W E < -LM 31 89C 7 -3,-0.6 -4,-2.5 55,-0.2 -3,-1.2 -0.976 48.1-169.1-136.6 140.2 17.2 25.2 34.3 35 52 X V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.5 -0.945 13.2-146.3-121.5 139.7 19.6 23.7 31.7 36 53 X V E +LM 28 87C 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.921 33.3 148.3-102.6 134.7 18.8 22.4 28.2 37 54 X S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.5 2,-0.4 -0.722 49.8 -69.1-143.5-169.3 20.8 19.4 26.9 38 55 X A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.754 32.0-133.0 -89.2 141.6 20.4 16.4 24.7 39 56 X A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.830 107.4 64.1 -58.0 -34.2 18.1 13.6 25.7 40 57 X H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.704 93.7 63.4 -71.8 -8.9 20.8 11.1 24.7 41 58 X b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.445 77.8 130.7 -83.0 -3.3 22.9 12.7 27.6 42 59 X Y < + 0 0 130 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.234 21.8 136.3 -57.0 136.1 20.3 11.5 30.2 43 60 X K - 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.954 51.6 -99.8-161.3 168.6 21.6 9.7 33.2 44 61 X S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.494 96.8 40.2 -80.5 158.9 21.0 9.7 36.9 45 62 X G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.846 73.6 171.4 76.6 38.1 23.4 11.5 39.3 46 63 X I - 0 0 8 -3,-0.3 21,-2.6 -26,-0.1 2,-0.5 -0.678 17.7-168.9 -87.7 130.9 24.1 14.7 37.3 47 64 X Q E -KN 19 66C 49 -28,-2.6 -28,-2.7 -2,-0.4 2,-0.5 -0.975 18.4-140.0-109.1 127.4 26.0 17.6 38.8 48 65 X V E -KN 18 65C 0 17,-2.7 17,-2.6 -2,-0.5 2,-0.6 -0.783 12.4-157.6 -87.2 127.3 25.8 20.7 36.7 49 65AX R E -KN 17 64C 51 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.931 14.0-178.5-114.9 112.8 29.1 22.7 36.5 50 66 X L E + N 0 63C 2 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.659 60.6 30.9-103.9 157.2 28.7 26.3 35.6 51 69 X G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.717 84.3 155.1 68.9 21.0 31.5 29.0 35.2 52 70 X E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.576 22.2 151.6 -84.1 142.1 33.9 26.4 33.9 53 71 X D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.1 0.412 81.0 29.4-118.5 -78.8 36.9 26.9 31.7 54 72 X N S > S- 0 0 29 80,-0.2 3,-1.3 3,-0.1 -1,-0.4 -0.717 72.7-159.0 -78.5 116.0 39.5 24.2 32.6 55 73 X I T 3 S+ 0 0 30 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.530 89.2 51.9 -75.7 -3.6 37.3 21.3 33.8 56 74 X N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.337 105.7 58.0-110.8 3.9 40.2 19.7 35.7 57 75 X V S < S- 0 0 76 -3,-1.3 2,-0.7 76,-0.1 -4,-0.3 -0.999 76.5-129.9-138.0 133.2 41.2 22.8 37.7 58 76 X V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.719 33.3 171.5 -81.4 115.2 39.3 25.0 40.1 59 77 X E - 0 0 96 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.544 51.6 -98.1-111.0 -9.6 39.9 28.5 38.8 60 78 X G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.321 103.9 75.0 115.5 -6.8 37.5 30.5 40.9 61 79 X N + 0 0 62 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.318 66.7 122.1-115.9 7.1 34.3 31.2 38.9 62 80 X E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.340 39.3-169.4 -72.1 147.9 32.7 27.8 39.1 63 81 X Q E -N 50 0C 39 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.5 -0.977 7.7-163.8-130.3 124.3 29.3 26.9 40.6 64 82 X F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.949 16.5 169.2-110.8 117.9 28.6 23.2 41.1 65 83 X I E -N 48 0C 15 -17,-2.6 -17,-2.7 -2,-0.5 2,-0.1 -0.991 28.2-130.4-136.2 123.7 24.9 22.4 41.6 66 84 X S E -N 47 0C 50 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.388 29.4-107.8 -71.2 150.6 23.3 19.0 41.6 67 85 X A E -O 90 0C 19 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.549 22.4-167.9 -74.4 137.3 20.2 18.3 39.5 68 86 X S E S+ 0 0 57 21,-2.6 2,-0.3 1,-0.4 22,-0.2 0.680 73.7 1.5 -91.6 -27.0 16.9 17.9 41.3 69 87 X K E -O 89 0C 76 20,-1.0 20,-2.6 2,-0.0 2,-0.4 -0.978 57.0-153.9-159.5 150.5 15.1 16.6 38.3 70 88 X S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.977 8.1-166.3-127.3 140.4 15.6 15.6 34.6 71 89 X I E -O 87 0C 39 16,-2.8 16,-2.5 -2,-0.4 2,-0.2 -0.906 5.4-159.9-132.8 103.8 12.9 15.6 31.9 72 90 X V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.598 42.7 -87.2 -75.8 145.5 13.5 13.9 28.6 73 91 X H > - 0 0 23 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.204 35.6-122.7 -54.0 141.2 11.3 15.1 25.8 74 92 X P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.804 110.1 40.1 -54.2 -33.3 8.0 13.0 25.7 75 93 X S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.178 79.2 143.7-109.4 16.6 8.7 11.9 22.1 76 94 X Y < - 0 0 54 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.374 31.2-163.9 -56.1 129.0 12.4 11.3 22.3 77 95 X N > - 0 0 65 5,-2.1 4,-2.3 1,-0.1 5,-0.5 -0.959 7.6-163.4-117.8 110.3 13.4 8.3 20.1 78 96 X S T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.690 86.6 56.8 -70.7 -16.4 16.9 7.0 21.0 79 97 X N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.921 122.9 21.6 -77.5 -44.2 17.1 5.0 17.7 80 98 X T T 4 S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.600 97.0-130.5 -95.1 -16.6 16.6 7.9 15.4 81 99 X L >< + 0 0 33 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.578 50.1 158.2 65.9 18.8 17.5 10.7 17.8 82 100 X N T 3 + 0 0 38 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.484 67.3 16.1 -68.4 136.7 14.3 12.6 16.9 83 101 X N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.895 79.4 178.3 63.4 46.9 13.4 15.0 19.7 84 102 X D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.483 35.9 111.8 -83.1 78.1 16.9 14.9 21.2 85 103 X I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.995 36.8 176.2-151.3 143.1 16.3 17.4 24.0 86 104 X M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.986 20.2-137.1-145.5 152.3 16.1 17.3 27.8 87 105 X L E -MO 36 71C 0 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.4 -0.902 13.6-164.0-107.2 143.5 15.6 19.7 30.6 88 106 X I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.993 7.7-151.1-127.8 126.2 17.6 19.6 33.8 89 107 X K E -MO 34 69C 35 -20,-2.6 -21,-2.6 -2,-0.4 -20,-1.0 -0.785 15.4-132.1 -96.4 137.1 16.4 21.5 36.9 90 108 X L E - 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