==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/CELL ADHESION 16-DEC-09 3L33 . COMPND 2 MOLECULE: TRYPSIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.SALAMEH,A.S.SOARES,E.S.RADISKY . 1104 8 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 331 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 97 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 8 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 22 8 5 23 8 4 4 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 4 0 0 0 4 0 0 4 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,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.9 -32.8 7.2 28.6 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.6 1,-0.2 123,-0.1 -0.856 360.0 7.8 -99.4 133.2 -35.2 10.0 28.8 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.684 103.5 119.1 76.1 17.3 -36.4 11.1 32.3 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.139 56.2-120.4 -99.7-163.7 -33.9 8.9 34.1 5 20 A Y E -B 137 0B 105 132,-2.3 132,-3.5 -3,-0.1 2,-0.5 -0.885 35.9 -82.5-136.6 164.6 -31.0 9.5 36.4 6 21 A T E -B 136 0B 59 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.602 48.5-120.4 -72.7 122.3 -27.2 8.7 36.4 7 22 A a - 0 0 3 128,-2.6 2,-0.1 -2,-0.5 128,-0.1 -0.222 33.9 -96.4 -53.6 145.2 -26.4 5.2 37.5 8 23 A E > - 0 0 116 1,-0.1 3,-2.0 2,-0.1 4,-0.4 -0.472 45.3-104.4 -62.5 137.8 -24.2 4.7 40.6 9 24 A E T 3 S+ 0 0 112 1,-0.3 3,-0.3 -2,-0.1 -1,-0.1 0.784 110.4 19.5 -34.1 -60.3 -20.6 4.2 39.5 10 25 A N T 3 S+ 0 0 63 1,-0.2 -1,-0.3 43,-0.0 -2,-0.1 0.279 96.7 104.6-103.1 22.6 -20.1 0.5 40.0 11 26 A S S < S+ 0 0 50 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.656 72.6 46.2 -86.1 -26.0 -23.7 -0.6 40.1 12 27 A L > + 0 0 20 -4,-0.4 3,-1.8 -3,-0.3 -1,-0.2 -0.644 58.2 166.4-116.8 70.6 -24.6 -2.3 36.7 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-2.0 0, 0.0 38,-0.3 0.621 75.4 57.1 -63.1 -11.7 -21.6 -4.7 36.2 14 29 A Y T 3 S+ 0 0 18 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.543 78.8 109.1 -97.4 -9.8 -23.4 -6.5 33.5 15 30 A Q E < -K 28 0C 3 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.478 48.1-177.0 -67.4 131.4 -24.1 -3.5 31.3 16 31 A V E -KL 27 50C 2 11,-2.3 11,-1.1 -2,-0.2 2,-0.4 -0.848 18.5-141.2-124.5 165.8 -22.1 -3.5 28.1 17 32 A S E -KL 26 49C 1 32,-1.9 32,-2.4 -2,-0.3 2,-0.4 -0.992 12.2-139.0-127.0 136.6 -21.6 -1.2 25.2 18 33 A L E -KL 25 48C 0 7,-3.4 6,-2.3 -2,-0.4 7,-1.0 -0.799 27.4-170.8 -94.3 138.6 -21.2 -2.2 21.5 19 34 A N E +KL 23 47C 12 28,-2.1 28,-2.9 -2,-0.4 4,-0.2 -0.976 30.4 148.3-139.8 130.3 -18.6 -0.3 19.6 20 37 A S S S- 0 0 53 2,-2.0 3,-0.1 -2,-0.4 -1,-0.1 0.290 98.7 -21.3-114.5 -97.0 -17.4 0.2 16.0 21 38 A G S S- 0 0 78 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.822 141.9 -9.8 -74.9 -33.1 -16.1 3.6 15.3 22 39 A S S S- 0 0 71 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.886 95.6 -59.5-151.4-179.7 -18.2 4.6 18.3 23 40 A H E +K 19 0C 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.524 55.0 152.9 -67.7 125.3 -20.8 3.5 20.8 24 41 A F E + 0 0 2 -6,-2.3 890,-1.5 1,-0.4 151,-0.3 0.521 59.0 11.3-132.1 -13.3 -24.0 2.5 18.9 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-3.4 888,-0.2 -1,-0.4 -0.977 62.2-126.6-159.1 161.0 -25.8 -0.0 21.1 26 43 A G E +K 17 0C 3 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.432 23.4 178.4-102.6-175.3 -25.9 -1.7 24.5 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.958 24.1-115.7-171.9 175.6 -25.9 -5.3 25.6 28 45 A S E -KM 15 36C 2 8,-2.1 8,-2.8 -2,-0.3 2,-0.6 -0.997 19.8-130.8-133.6 127.7 -25.9 -7.5 28.7 29 46 A L E + M 0 35C 1 -15,-2.4 74,-2.1 -2,-0.4 6,-0.2 -0.674 32.2 166.6 -77.0 116.1 -23.2 -9.9 29.8 30 47 A I E + 0 0 1 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.632 67.9 8.4-110.1 -21.4 -24.8 -13.2 30.6 31 48 A S E > S- M 0 34C 10 3,-1.6 3,-0.8 70,-0.1 -1,-0.3 -0.938 87.2 -97.0-144.2 173.6 -21.8 -15.4 30.8 32 49 A E T 3 S+ 0 0 51 -2,-0.3 62,-3.2 1,-0.3 3,-0.1 0.640 126.2 32.6 -68.9 -9.2 -18.1 -14.7 30.8 33 50 A Q T 3 S+ 0 0 55 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.477 111.8 66.1-120.3 -2.2 -18.0 -15.4 27.1 34 51 A W E < -MN 31 89C 6 -3,-0.8 -4,-2.1 55,-0.2 -3,-1.6 -0.967 51.1-166.6-135.4 138.7 -21.4 -14.3 25.8 35 52 A V E -MN 29 88C 0 53,-2.8 53,-2.5 -2,-0.4 2,-0.4 -0.902 12.9-144.1-119.0 142.8 -23.4 -11.1 25.4 36 53 A V E +MN 28 87C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.916 36.1 138.1-104.8 135.7 -27.1 -10.5 24.7 37 54 A S E - N 0 86C 0 49,-2.2 49,-1.8 -2,-0.4 2,-0.4 -0.714 52.1 -65.0-147.4-160.2 -28.2 -7.6 22.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.2 47,-0.3 47,-0.2 -0.827 29.4-134.3-101.9 142.8 -30.7 -6.8 19.7 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.840 106.5 61.3 -59.0 -35.1 -30.5 -8.3 16.2 40 57 A H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 41,-0.1 873,-0.1 0.729 94.7 63.2 -70.0 -13.5 -31.1 -4.9 14.7 41 58 A b G < S+ 0 0 1 -3,-1.2 -1,-0.3 -15,-0.1 -2,-0.2 0.340 78.8 137.6 -83.3 5.1 -27.8 -3.8 16.3 42 59 A Y < + 0 0 76 -3,-2.0 2,-0.3 2,-0.0 -3,-0.1 -0.301 24.4 169.1 -58.6 125.8 -26.0 -6.3 14.1 43 60 A K - 0 0 60 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.937 42.8-123.5-127.9 162.4 -22.8 -5.3 12.6 44 61 A T S S+ 0 0 114 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.760 102.2 31.9 -74.6 -27.2 -20.2 -7.4 10.8 45 62 A R S S+ 0 0 168 2,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.992 71.4 170.2-138.0 130.2 -17.6 -6.2 13.2 46 63 A I - 0 0 3 -2,-0.4 21,-3.2 21,-0.2 2,-0.5 -0.994 21.9-156.5-141.5 127.2 -18.0 -5.2 16.9 47 64 A Q E -LO 19 66C 49 -28,-2.9 -28,-2.1 -2,-0.4 2,-0.4 -0.899 22.5-144.2 -96.1 134.4 -15.8 -4.5 19.8 48 65 A V E -LO 18 65C 0 17,-3.6 17,-2.4 -2,-0.5 2,-0.5 -0.806 8.2-156.8 -98.7 137.8 -17.5 -5.0 23.2 49 66 A R E -LO 17 64C 58 -32,-2.4 -32,-1.9 -2,-0.4 2,-0.3 -0.966 13.3-178.0-117.7 123.6 -16.7 -2.7 26.1 50 67 A L E +LO 16 63C 2 13,-3.0 13,-2.0 -2,-0.5 -34,-0.1 -0.812 60.2 32.2-115.3 156.7 -17.2 -3.9 29.6 51 69 A G S S+ 0 0 9 -36,-0.5 10,-0.2 -2,-0.3 2,-0.2 0.628 83.0 150.1 79.7 13.4 -16.8 -2.2 32.9 52 70 A E + 0 0 17 -37,-0.4 -1,-0.2 -3,-0.2 3,-0.1 -0.519 22.0 153.7 -84.3 145.1 -17.8 1.1 31.5 53 71 A H S S+ 0 0 19 -2,-0.2 82,-1.4 1,-0.2 2,-0.7 0.480 82.3 29.7-124.1 -54.9 -19.5 4.0 33.3 54 72 A N B > S-Q 134 0D 26 3,-0.3 3,-2.0 80,-0.2 80,-0.2 -0.889 71.6-159.6-107.7 103.2 -18.3 7.0 31.4 55 73 A I T 3 S+ 0 0 21 78,-1.8 -1,-0.1 -2,-0.7 79,-0.1 0.637 89.7 49.6 -61.4 -14.1 -17.7 5.9 27.8 56 74 A K T 3 S+ 0 0 138 77,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.543 103.0 65.8 -97.3 -9.7 -15.5 8.9 27.1 57 75 A V S < S- 0 0 76 -3,-2.0 -3,-0.3 76,-0.2 2,-0.3 -0.856 76.3-134.8-126.7 105.3 -13.2 8.7 30.1 58 76 A L + 0 0 34 -2,-0.5 -3,-0.1 1,-0.2 -6,-0.0 -0.281 29.5 172.3 -50.7 108.4 -10.8 5.8 30.8 59 77 A E - 0 0 58 -2,-0.3 -1,-0.2 -5,-0.1 -7,-0.0 0.655 48.8-108.0-103.2 -18.1 -11.4 5.0 34.5 60 78 A G S S+ 0 0 16 227,-0.1 -2,-0.1 260,-0.0 260,-0.0 0.079 99.9 81.8 115.5 -18.7 -9.3 1.8 34.8 61 79 A N + 0 0 46 -10,-0.2 -9,-0.1 2,-0.0 38,-0.1 0.478 63.6 117.1 -93.9 -3.3 -11.9 -1.0 35.0 62 80 A E - 0 0 12 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.339 43.9-162.3 -78.3 147.5 -12.7 -1.4 31.4 63 81 A Q E -O 50 0C 5 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.6 -0.994 5.0-160.9-120.4 131.4 -12.2 -4.5 29.3 64 82 A F E +O 49 0C 40 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.959 19.1 169.3-112.3 112.3 -12.3 -4.2 25.5 65 83 A I E -O 48 0C 5 -17,-2.4 -17,-3.6 -2,-0.6 2,-0.1 -0.990 28.6-128.6-129.3 133.0 -12.9 -7.5 23.7 66 84 A N E -O 47 0C 73 -2,-0.4 25,-2.2 -19,-0.3 2,-0.3 -0.441 29.7-108.4 -74.6 146.4 -13.7 -8.1 20.0 67 85 A A E -P 90 0C 10 -21,-3.2 23,-0.2 23,-0.2 -21,-0.2 -0.593 29.2-175.7 -70.1 132.6 -16.7 -10.2 19.0 68 86 A A E S+ 0 0 62 21,-3.1 2,-0.3 1,-0.3 22,-0.2 0.585 75.8 20.2-100.7 -14.6 -15.6 -13.5 17.6 69 87 A K E -P 89 0C 84 20,-1.2 20,-2.8 2,-0.0 2,-0.5 -0.954 62.8-169.1-151.0 131.5 -19.2 -14.6 16.6 70 88 A I E -P 88 0C 32 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.988 13.6-173.5-125.0 119.8 -22.2 -12.4 16.1 71 89 A I E -P 87 0C 42 16,-3.4 16,-2.7 -2,-0.5 2,-0.1 -0.884 10.4-161.4-130.8 104.8 -25.5 -14.4 15.9 72 90 A R E -P 86 0C 87 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.433 43.5 -89.0 -72.2 151.5 -28.9 -13.0 15.1 73 91 A H > - 0 0 16 12,-2.0 3,-2.1 10,-0.3 -1,-0.1 -0.429 36.6-124.9 -60.2 133.8 -31.9 -15.0 15.9 74 92 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.735 108.3 43.5 -55.7 -26.2 -32.7 -17.3 12.9 75 93 A K T 3 S+ 0 0 100 8,-0.1 2,-0.1 2,-0.1 9,-0.1 0.159 77.2 142.6-109.6 15.1 -36.3 -15.9 12.7 76 94 A Y < - 0 0 23 -3,-2.1 2,-0.7 7,-0.1 7,-0.2 -0.355 40.3-149.3 -56.3 126.1 -35.6 -12.2 13.1 77 95 A N > - 0 0 66 5,-2.3 4,-2.9 1,-0.1 5,-0.3 -0.888 9.7-163.2-107.3 110.2 -37.9 -10.2 10.9 78 96 A R T 4 S+ 0 0 154 -2,-0.7 858,-0.3 1,-0.2 -1,-0.1 0.722 91.3 46.5 -64.0 -23.0 -36.4 -6.9 9.6 79 97 A D T 4 S+ 0 0 155 1,-0.1 -1,-0.2 856,-0.1 -2,-0.0 0.810 127.2 23.8 -88.0 -33.3 -39.8 -5.5 8.6 80 98 A T T 4 S- 0 0 69 -3,-0.1 -2,-0.2 2,-0.1 77,-0.2 0.577 94.3-130.4-107.6 -13.2 -41.8 -6.5 11.8 81 99 A L >< + 0 0 12 -4,-2.9 3,-0.8 1,-0.2 -3,-0.2 0.643 48.5 162.6 67.0 15.1 -38.9 -6.6 14.3 82 100 A D T 3 + 0 0 42 -5,-0.3 -5,-2.3 1,-0.2 -1,-0.2 -0.394 64.4 13.2 -58.0 142.2 -40.2 -10.0 15.4 83 101 A N T 3 S+ 0 0 22 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.884 77.7 178.8 55.3 44.2 -37.5 -11.9 17.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 -46,-0.1 -1,-0.2 -0.483 34.9 114.7 -79.0 75.2 -35.2 -8.9 17.8 85 103 A I - 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