==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 24-OCT-91 1PPE . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.BODE,R.HUBER . 252 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.6 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 4 1 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 0 1 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 E I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 119.7 17.4 14.1 5.5 2 17 E V B +A 171 0A 11 169,-2.6 169,-1.2 1,-0.2 123,-0.1 -0.781 360.0 9.0 -95.8 125.7 16.7 17.6 4.1 3 18 E G S S+ 0 0 46 -2,-0.5 -1,-0.2 121,-0.5 2,-0.1 0.833 101.1 123.7 94.0 12.3 19.6 20.1 4.2 4 19 E G - 0 0 36 -3,-0.5 2,-0.2 134,-0.1 134,-0.2 -0.308 53.1-122.5-107.0-166.9 22.2 17.7 5.2 5 20 E Y E -B 137 0B 103 132,-2.2 132,-2.3 -2,-0.1 2,-0.5 -0.701 39.0 -84.7-127.6 175.3 25.6 16.4 4.1 6 21 E T E -B 136 0B 68 130,-0.2 130,-0.2 -2,-0.2 129,-0.0 -0.752 29.0-152.6 -93.8 118.8 27.0 13.0 3.2 7 22 E a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.887 38.5-121.1 -63.1 -35.8 28.1 11.2 6.3 8 23 E G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.170 45.7 -49.0 96.9 148.0 30.7 9.2 4.5 9 24 E A T 3 S- 0 0 50 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.112 117.8 -15.2 -55.0 126.0 30.8 5.4 4.4 10 25 E N T 3 S+ 0 0 28 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.643 91.8 124.5 53.9 23.3 30.5 3.6 7.7 11 26 E T S < S+ 0 0 85 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.433 77.1 50.0 -85.9 -2.6 31.3 6.8 9.8 12 27 E V S > S+ 0 0 6 -4,-0.3 3,-1.6 87,-0.1 -1,-0.2 -0.710 74.8 172.6-130.3 71.7 27.9 6.2 11.6 13 28 E P T 3 + 0 0 33 0, 0.0 88,-2.0 0, 0.0 38,-0.2 0.529 69.8 57.5 -68.3 -9.5 28.5 2.5 12.5 14 29 E Y T 3 S+ 0 0 23 86,-0.2 15,-2.0 88,-0.1 2,-0.4 0.463 81.9 107.9 -99.6 -5.4 25.4 2.0 14.7 15 30 E Q E < +K 28 0C 6 -3,-1.6 36,-0.5 13,-0.2 37,-0.3 -0.609 47.7 178.2 -73.6 128.6 23.1 3.1 11.9 16 31 E V E -K 27 0C 2 11,-1.8 11,-1.1 -2,-0.4 2,-0.4 -0.838 23.2-131.5-123.0 163.0 21.1 0.2 10.4 17 32 E S E -KL 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.4 -0.943 11.6-142.9-115.5 130.6 18.4 -0.0 7.7 18 33 E L E -KL 25 48C 0 7,-2.9 6,-2.4 -2,-0.4 7,-1.0 -0.872 27.1-170.9 -92.1 122.2 15.1 -1.9 8.1 19 34 E N E +KL 23 47C 17 28,-2.1 28,-2.7 -2,-0.4 4,-0.2 -0.997 30.0 164.4-126.5 129.6 14.2 -3.6 4.9 20 37 E S S S- 0 0 38 2,-1.9 2,-0.5 -2,-0.4 26,-0.1 -0.673 96.4 -38.7-127.9 56.2 11.0 -5.5 3.7 21 38 E G S S+ 0 0 70 -2,-0.1 2,-0.3 26,-0.0 -2,-0.0 -0.210 140.4 17.3 110.1 -47.3 11.6 -5.6 0.0 22 39 E Y S S- 0 0 70 -2,-0.5 -2,-1.9 -4,-0.0 2,-0.3 -0.914 100.8 -74.7-148.5 172.1 13.0 -2.1 0.1 23 40 E H E +K 19 0C 18 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.515 54.5 153.5 -68.9 127.8 14.5 0.3 2.7 24 41 E F E + 0 0 0 -6,-2.4 207,-2.6 1,-0.5 151,-0.3 0.676 58.0 9.2-132.3 -20.5 11.6 1.9 4.8 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-2.9 205,-0.2 -1,-0.5 -0.970 61.7-130.4-142.8 164.6 13.0 2.9 8.2 26 43 E G E +K 17 0C 1 151,-2.7 12,-0.3 -2,-0.3 2,-0.3 -0.316 23.1 178.3 -90.7-165.7 16.2 3.3 10.1 27 44 E G E -K 16 0C 0 -11,-1.1 -11,-1.8 10,-0.1 2,-0.4 -0.947 25.4-111.7-178.4 176.4 17.3 2.0 13.5 28 45 E S E -KM 15 36C 0 8,-2.1 8,-2.7 -2,-0.3 2,-0.4 -0.992 20.3-130.5-129.3 129.6 20.3 2.0 15.9 29 46 E L E + M 0 35C 1 -15,-2.0 74,-1.8 -2,-0.4 6,-0.2 -0.705 27.1 174.9 -80.5 119.4 22.3 -1.1 16.9 30 47 E I - 0 0 21 4,-2.9 2,-0.3 -2,-0.4 5,-0.2 0.616 69.2 -9.6-114.7 -2.3 22.5 -1.0 20.7 31 48 E N S S- 0 0 52 3,-1.5 3,-0.5 70,-0.1 -1,-0.4 -0.899 88.3 -80.6-168.3-171.8 24.3 -4.3 21.1 32 49 E S S S+ 0 0 39 -2,-0.3 62,-3.6 1,-0.2 3,-0.1 0.612 127.9 32.0 -73.1 -14.3 25.2 -7.2 18.8 33 50 E Q S S+ 0 0 62 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.371 112.6 60.1-112.2 -14.9 21.7 -8.7 19.1 34 51 E W E - N 0 89C 7 -3,-0.5 -4,-2.9 55,-0.2 -3,-1.5 -0.991 48.5-174.0-130.7 140.5 19.3 -5.7 19.5 35 52 E V E -MN 29 88C 0 53,-2.2 53,-2.4 -2,-0.4 2,-0.4 -0.971 18.1-139.0-120.4 146.2 18.4 -2.6 17.5 36 53 E V E +MN 28 87C 0 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.2 -0.860 33.5 150.1-107.0 143.1 16.1 0.2 18.5 37 54 E S E - N 0 86C 0 49,-2.2 49,-2.3 -2,-0.4 2,-0.4 -0.743 48.7 -68.3-151.4-178.5 13.5 1.8 16.1 38 55 E A > - 0 0 0 -12,-0.3 3,-2.2 47,-0.3 47,-0.2 -0.748 35.8-132.7 -80.8 135.3 10.1 3.6 15.9 39 56 E A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.840 107.2 63.7 -60.1 -35.6 7.0 1.4 16.8 40 57 E H G 3 S+ 0 0 12 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.618 92.4 68.1 -64.6 -3.6 5.3 2.7 13.7 41 58 E b G < S+ 0 0 0 -3,-2.2 -1,-0.3 -15,-0.0 2,-0.2 0.330 72.4 127.9 -85.0 -9.6 8.1 0.9 11.8 42 59 E Y < + 0 0 121 -3,-1.9 2,-0.3 -5,-0.0 -3,-0.0 -0.434 24.6 151.6 -49.7 134.3 6.8 -2.5 12.9 43 60 E K > - 0 0 54 -2,-0.2 3,-0.8 0, 0.0 2,-0.2 -0.985 46.5-112.0-151.1 152.7 6.2 -4.9 10.0 44 61 E S T 3 S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.617 100.0 32.6 -84.4 156.4 6.4 -8.6 10.1 45 62 E G T 3 S+ 0 0 69 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.696 78.1 174.3 71.4 31.3 9.3 -10.1 8.2 46 63 E I < - 0 0 4 -3,-0.8 21,-2.5 -26,-0.1 2,-0.5 -0.321 17.2-158.7 -60.2 132.4 11.9 -7.2 8.8 47 64 E Q E -LO 19 66C 49 -28,-2.7 -28,-2.1 19,-0.2 2,-0.5 -0.964 11.5-145.3-108.6 130.1 15.4 -7.8 7.5 48 65 E V E -LO 18 65C 0 17,-2.7 17,-2.9 -2,-0.5 2,-0.5 -0.835 8.3-156.9 -96.5 129.4 18.0 -5.7 9.2 49 66 E R E -LO 17 64C 50 -32,-2.8 -32,-2.1 -2,-0.5 2,-0.3 -0.951 11.6-175.6-112.5 123.4 21.0 -4.4 7.2 50 67 E L E + O 0 63C 2 13,-4.2 13,-2.8 -2,-0.5 -34,-0.1 -0.763 62.5 28.2-113.8 155.2 24.2 -3.4 9.0 51 69 E G S S+ 0 0 6 -36,-0.5 2,-0.3 48,-0.3 10,-0.2 0.649 84.3 150.3 70.5 25.1 27.5 -1.9 7.7 52 70 E E + 0 0 14 -37,-0.3 -42,-0.3 -3,-0.2 -1,-0.2 -0.640 20.3 151.9 -83.4 144.6 25.6 -0.1 4.7 53 71 E D S S+ 0 0 12 -2,-0.3 2,-1.2 1,-0.3 -1,-0.2 0.464 78.7 36.6-120.0 -65.2 26.6 3.1 3.0 54 72 E N S > S- 0 0 21 3,-0.2 3,-1.4 1,-0.2 -1,-0.3 -0.679 72.2-161.0 -85.3 104.5 25.2 2.8 -0.5 55 73 E I T 3 S+ 0 0 37 78,-2.1 -1,-0.2 -2,-1.2 79,-0.1 0.459 85.5 46.3 -62.2 -9.3 22.0 0.9 -0.1 56 74 E N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.438 108.2 57.5-105.6 -14.4 21.8 -0.1 -3.8 57 75 E V S < S- 0 0 73 -3,-1.4 -4,-0.2 76,-0.2 2,-0.2 -0.996 79.9-127.6-129.1 122.4 25.3 -1.3 -4.3 58 76 E V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.467 27.7 172.1 -74.4 117.7 27.1 -4.1 -2.3 59 77 E E - 0 0 97 -2,-0.2 -1,-0.2 -5,-0.1 -7,-0.0 0.480 49.8-116.7-111.8 3.8 30.4 -2.6 -1.0 60 78 E G S S+ 0 0 53 -3,-0.0 -2,-0.1 1,-0.0 -8,-0.1 0.380 94.4 94.0 64.9 28.0 31.0 -5.7 1.0 61 79 E N + 0 0 50 -10,-0.2 2,-0.2 38,-0.0 -9,-0.0 0.372 64.1 113.0-102.0 1.2 31.0 -4.4 4.5 62 80 E E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.539 47.8-163.1 -75.0 152.4 27.3 -5.2 4.9 63 81 E Q E -O 50 0C 34 -13,-2.8 -13,-4.2 -2,-0.2 2,-0.5 -0.983 5.7-161.2-130.0 131.0 25.6 -7.7 7.2 64 82 E F E +O 49 0C 87 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.991 18.5 166.6-114.0 116.0 22.0 -8.8 6.5 65 83 E I E -O 48 0C 17 -17,-2.9 -17,-2.7 -2,-0.5 2,-0.1 -0.994 29.8-125.8-134.9 129.2 20.2 -10.4 9.4 66 84 E S E -O 47 0C 45 -2,-0.4 25,-2.8 -19,-0.2 2,-0.5 -0.404 29.2-108.9 -68.4 151.3 16.5 -11.2 9.9 67 85 E A E -P 90 0C 22 -21,-2.5 23,-0.3 23,-0.2 -22,-0.2 -0.602 26.8-172.1 -73.8 130.2 14.6 -10.0 12.9 68 86 E S E S+ 0 0 67 21,-2.3 2,-0.3 -2,-0.5 22,-0.2 0.802 71.7 7.4 -87.9 -34.5 13.7 -12.8 15.2 69 87 E K E -P 89 0C 82 20,-1.7 20,-3.2 2,-0.0 2,-0.4 -0.966 57.2-160.8-152.3 143.4 11.5 -10.8 17.4 70 88 E S E -P 88 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.949 7.1-164.8-128.3 129.3 10.0 -7.3 17.6 71 89 E I E -P 87 0C 36 16,-2.9 16,-2.2 -2,-0.4 2,-0.1 -0.932 7.0-157.4-123.5 98.1 8.7 -5.8 20.8 72 90 E V E -P 86 0C 51 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.499 38.5 -94.1 -70.4 135.0 6.5 -2.7 20.4 73 91 E H > - 0 0 22 12,-1.8 3,-2.4 10,-0.3 -1,-0.1 -0.466 33.8-124.9 -52.5 132.1 6.4 -0.5 23.6 74 92 E P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.734 109.2 47.3 -50.9 -26.3 3.2 -1.6 25.7 75 93 E S T 3 S+ 0 0 70 8,-0.1 2,-0.1 2,-0.1 9,-0.1 0.244 79.2 141.0-107.3 19.9 2.0 2.0 25.7 76 94 E Y < - 0 0 54 -3,-2.4 2,-0.5 7,-0.1 7,-0.2 -0.318 33.2-163.8 -57.9 136.5 2.4 2.7 22.0 77 95 E N B >> -Q 82 0D 56 5,-2.1 4,-2.9 1,-0.1 5,-0.6 -0.943 11.4-165.5-124.0 112.9 -0.4 4.7 20.6 78 96 E S T 45S+ 0 0 73 -2,-0.5 -1,-0.1 1,-0.2 164,-0.1 0.575 88.0 55.5 -73.6 -13.3 -0.7 4.7 16.8 79 97 E N T 45S+ 0 0 124 3,-0.1 -1,-0.2 163,-0.1 147,-0.1 0.807 124.7 21.4 -81.3 -37.6 -3.1 7.7 16.7 80 98 E T T 45S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.741 94.3-130.7-109.7 -10.4 -0.8 10.0 18.7 81 99 E L T ><5 + 0 0 5 -4,-2.9 3,-0.8 1,-0.3 -3,-0.2 0.616 52.2 156.9 67.7 19.3 2.5 8.3 18.1 82 100 E N B 3 < +Q 77 0D 33 -5,-0.6 -5,-2.1 1,-0.3 -1,-0.3 -0.495 65.6 18.7 -74.1 139.1 3.1 8.5 21.9 83 101 E N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.830 81.2 176.2 64.8 38.9 5.6 5.9 23.1 84 102 E D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.505 33.6 111.8 -82.1 77.4 6.9 5.4 19.5 85 103 E I + 0 0 0 -2,-2.1 -12,-1.8 -47,-0.2 2,-0.3 -0.988 36.9 175.2-143.7 151.8 9.6 3.0 20.3 86 104 E M E -NP 37 72C 0 -49,-2.3 -49,-2.2 -2,-0.3 2,-0.4 -0.995 20.2-138.4-160.2 152.4 10.3 -0.7 19.5 87 105 E L E -NP 36 71C 0 -16,-2.2 -16,-2.9 -2,-0.3 2,-0.5 -0.930 13.2-162.2-113.6 138.5 13.1 -3.3 20.0 88 106 E I E -NP 35 70C 0 -53,-2.4 -53,-2.2 -2,-0.4 2,-0.5 -0.976 7.1-151.6-120.9 125.6 14.1 -5.8 17.4 89 107 E K E -NP 34 69C 39 -20,-3.2 -21,-2.3 -2,-0.5 -20,-1.7 -0.870 19.7-127.4 -91.4 134.4 16.1 -8.8 18.3 90 108 E L E - 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