==== 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 17-JUN-03 1PPZ . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR A.SCHMIDT,C.JELSCH,W.RYPNIEWSKI,V.S.LAMZIN . 224 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 58.9 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 . 75 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.7 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 1 0 0 1 1 0 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 3 3 3 2 2 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,-0.3 0.000 360.0 360.0 360.0 125.1 -0.1 5.9 4.2 2 17 A V B +A 174 0A 18 172,-2.9 172,-1.7 1,-0.2 125,-0.1 -0.887 360.0 7.1-102.3 132.1 -0.6 5.4 0.4 3 18 A G S S+ 0 0 44 123,-0.4 138,-0.2 -2,-0.4 -1,-0.2 0.667 101.6 132.6 75.0 20.0 -4.1 5.4 -1.1 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.058 48.6-131.1 -95.7-171.4 -5.7 6.5 2.1 5 20 A T E -B 139 0B 86 134,-2.5 134,-2.4 -3,-0.1 2,-0.2 -0.915 40.8 -78.9-136.2 163.6 -8.2 9.1 3.4 6 21 A S E -B 138 0B 90 -2,-0.3 132,-0.3 132,-0.2 2,-0.1 -0.489 47.6-124.7 -67.5 129.7 -8.2 11.5 6.3 7 22 A A - 0 0 10 130,-2.6 2,-0.2 -2,-0.2 -1,-0.1 -0.425 23.2-126.8 -67.9 151.5 -8.9 9.9 9.7 8 23 A S > - 0 0 73 -2,-0.1 3,-2.4 1,-0.1 2,-0.1 -0.619 35.9 -82.5 -94.9 156.6 -11.7 11.3 11.7 9 24 A A T 3 S+ 0 0 85 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.382 118.8 23.9 -58.8 130.0 -11.5 12.4 15.3 10 25 A G T 3 S+ 0 0 56 1,-0.6 -1,-0.3 2,-0.1 2,-0.2 0.380 85.5 130.3 88.8 -4.7 -11.8 9.5 17.6 11 26 A D S < S+ 0 0 45 -3,-2.4 -1,-0.6 1,-0.2 4,-0.1 -0.495 84.1 2.8 -62.2 148.9 -10.7 7.2 15.0 12 27 A F S > S- 0 0 14 -2,-0.2 3,-2.1 1,-0.2 -1,-0.2 0.803 71.7-171.0 34.3 71.0 -8.0 5.2 16.8 13 28 A P T 3 S+ 0 0 53 0, 0.0 88,-1.4 0, 0.0 43,-0.3 0.701 84.3 50.9 -59.0 -18.9 -8.2 6.7 20.3 14 29 A F T 3 S+ 0 0 12 86,-0.2 16,-3.2 88,-0.1 89,-0.2 0.401 81.1 118.2 -96.7 -4.5 -5.0 4.8 21.2 15 30 A I E < -J 29 0C 7 -3,-2.1 41,-0.6 14,-0.2 2,-0.4 -0.430 41.5-170.5 -72.1 141.6 -2.8 5.9 18.3 16 31 A V E -JK 28 55C 0 12,-2.5 12,-1.9 39,-0.1 2,-0.4 -0.958 16.9-137.1-123.4 149.2 0.3 7.8 19.1 17 32 A S E -JK 27 54C 8 37,-2.1 37,-2.2 -2,-0.4 2,-0.5 -0.835 16.3-152.1 -95.0 144.0 2.8 9.7 16.9 18 33 A I E -JK 26 53C 2 8,-2.9 8,-2.5 -2,-0.4 7,-0.8 -0.960 10.1-165.9-121.4 112.2 6.4 9.2 17.6 19 34 A S E -JK 24 52C 29 33,-2.5 33,-1.6 -2,-0.5 2,-0.4 -0.655 3.9-158.2 -92.3 158.9 8.8 12.0 16.7 20 35 A R E > S-JK 23 51C 62 3,-2.6 3,-1.8 -2,-0.2 31,-0.2 -0.994 78.8 -5.0-138.2 121.1 12.6 11.7 16.5 21 36 A N T 3 S- 0 0 131 29,-2.3 30,-0.1 -2,-0.4 -1,-0.1 0.778 130.4 -61.5 68.0 22.4 14.8 14.8 16.8 22 37 A G T 3 S+ 0 0 73 28,-0.7 -1,-0.3 1,-0.3 29,-0.1 0.490 120.0 94.8 80.1 6.5 11.6 16.8 16.8 23 38 A G E < S-J 20 0C 25 -3,-1.8 -3,-2.6 1,-0.1 -1,-0.3 -0.711 87.4 -70.1-121.9 168.1 10.6 15.6 13.3 24 39 A P E +J 19 0C 62 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.237 60.4 142.2 -62.8 152.0 8.3 12.8 12.1 25 40 A W E - 0 0 54 -7,-0.8 155,-0.3 1,-0.4 2,-0.3 0.371 54.8 -19.6-151.7 -60.4 9.5 9.2 12.5 26 41 A a E -J 18 0C 4 -8,-2.5 -8,-2.9 153,-0.1 -1,-0.4 -0.863 47.7-121.0-149.5 179.5 7.0 6.5 13.5 27 42 A G E +J 17 0C 2 153,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.716 25.6 177.4-118.0 174.1 3.7 5.6 15.0 28 43 A G E -J 16 0C 0 -12,-1.9 -12,-2.5 -2,-0.2 2,-0.4 -0.962 26.2-110.4-165.0-178.6 2.6 3.5 17.9 29 44 A S E -JL 15 37C 2 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.990 24.1-128.8-129.9 124.7 -0.3 2.2 20.0 30 45 A L E + L 0 36C 0 -16,-3.2 73,-2.6 -2,-0.4 6,-0.2 -0.641 25.5 177.3 -74.5 116.1 -1.1 3.2 23.6 31 46 A L E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.735 66.9 -24.2 -89.1 -33.0 -1.6 0.1 25.6 32 47 A N E > S- L 0 35C 38 3,-1.2 3,-1.4 69,-0.1 -1,-0.3 -0.909 90.1 -63.0-167.2-178.4 -2.2 1.8 29.0 33 48 A A T 3 S+ 0 0 28 1,-0.3 61,-2.8 -2,-0.3 59,-0.1 0.731 131.4 22.2 -58.2 -27.1 -1.3 5.1 30.7 34 49 A N T 3 S+ 0 0 65 59,-0.2 56,-2.0 190,-0.2 2,-0.4 0.177 109.6 82.0-125.1 20.4 2.4 4.6 30.6 35 50 A T E < -LM 32 89C 0 -3,-1.4 -4,-2.4 54,-0.2 -3,-1.2 -0.988 45.5-175.4-138.7 128.7 3.0 2.1 27.8 36 51 A V E -LM 30 88C 0 52,-2.3 52,-3.1 -2,-0.4 2,-0.5 -0.962 15.1-147.7-118.4 137.4 3.3 2.3 24.0 37 52 A L E +LM 29 87C 2 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.906 34.4 149.7 -98.4 126.4 3.7 -0.6 21.6 38 53 A T E - M 0 86C 0 48,-2.4 48,-2.5 -2,-0.5 2,-0.3 -0.774 50.3 -72.5-140.2-176.7 5.7 0.2 18.5 39 54 A A >> - 0 0 0 -12,-0.4 3,-1.2 46,-0.3 4,-0.6 -0.663 34.7-130.3 -81.5 144.7 8.0 -1.6 16.0 40 55 A A H >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.3 3,-1.4 0.886 107.2 61.2 -57.9 -40.1 11.5 -2.6 17.2 41 56 A H H 34 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.746 94.2 64.7 -69.9 -13.6 13.0 -1.0 14.2 42 57 A a H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.797 125.1 8.2 -68.9 -27.6 11.6 2.4 15.2 43 58 A V H X< S+ 0 0 4 -3,-1.4 3,-1.5 -4,-0.6 -2,-0.2 0.564 86.3 127.5-127.7 -21.1 13.7 2.5 18.4 44 59 A S T 3< S- 0 0 50 -4,-2.9 3,-0.1 1,-0.3 42,-0.0 -0.288 93.7 -10.1 -60.7 121.9 16.3 -0.4 18.5 45 60 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.290 104.6 121.9 76.6 -13.1 19.8 1.0 19.2 46 61 A Y S < S- 0 0 89 -3,-1.5 2,-0.4 1,-0.1 -1,-0.2 -0.436 79.9 -86.6 -77.3 154.7 18.8 4.7 18.6 47 62 A A > - 0 0 68 1,-0.2 3,-1.9 -2,-0.1 4,-0.2 -0.481 35.8-147.9 -61.3 118.3 19.3 7.4 21.3 48 63 A Q G > S+ 0 0 81 -2,-0.4 3,-1.6 1,-0.3 21,-0.3 0.799 91.8 68.6 -62.0 -29.5 16.1 7.1 23.4 49 64 A S G 3 S+ 0 0 114 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.648 85.4 68.9 -63.9 -17.8 16.3 10.8 24.2 50 65 A G G < S+ 0 0 15 -3,-1.9 -29,-2.3 -30,-0.1 -28,-0.7 0.623 87.3 89.6 -74.4 -11.2 15.5 11.7 20.6 51 66 A F E < +K 20 0C 6 -3,-1.6 18,-0.5 -31,-0.2 2,-0.4 -0.664 45.8 174.9 -97.9 141.7 11.9 10.4 20.9 52 67 A Q E -K 19 0C 67 -33,-1.6 -33,-2.5 -2,-0.3 2,-0.4 -0.993 17.6-147.1-134.0 144.5 8.7 12.1 22.0 53 68 A I E -KN 18 67C 0 14,-2.9 14,-2.1 -2,-0.4 2,-0.4 -0.859 8.2-164.8-104.8 144.1 5.2 10.5 21.9 54 69 A R E +KN 17 66C 45 -37,-2.2 -37,-2.1 -2,-0.4 2,-0.3 -0.999 11.5 178.0-128.7 130.2 2.0 12.5 21.2 55 70 A A E +KN 16 65C 1 10,-2.7 10,-2.1 -2,-0.4 -39,-0.1 -0.881 53.9 38.0-124.5 157.2 -1.4 11.1 22.0 56 71 A G S S+ 0 0 19 -41,-0.6 2,-0.3 -2,-0.3 8,-0.3 0.772 92.7 93.5 78.5 30.8 -5.0 12.4 21.8 57 72 A S - 0 0 35 -42,-0.3 -1,-0.2 -3,-0.2 6,-0.1 -0.997 66.3-143.7-151.6 147.4 -4.6 14.3 18.5 58 73 A L S S+ 0 0 49 -2,-0.3 79,-2.1 -3,-0.1 2,-0.3 0.712 91.1 77.0 -73.4 -24.0 -5.2 13.8 14.8 59 74 A S B -P 136 0D 5 3,-0.4 77,-0.2 77,-0.2 -42,-0.2 -0.701 67.5-155.2 -89.1 143.9 -2.1 16.0 14.4 60 75 A R S S+ 0 0 42 75,-2.1 -1,-0.1 -2,-0.3 76,-0.1 0.539 96.6 40.6 -89.2 -6.7 1.5 14.8 14.9 61 76 A T S S+ 0 0 75 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.644 115.2 35.8-109.6 -19.5 2.7 18.3 15.7 62 77 A S S S+ 0 0 67 73,-0.2 -3,-0.4 -8,-0.0 -1,-0.2 -0.978 90.1 16.7-145.1 144.8 -0.1 19.9 17.8 63 78 A G S S+ 0 0 42 -2,-0.3 -6,-0.1 1,-0.2 -8,-0.1 0.069 77.1 59.1 82.2 166.4 -2.5 19.1 20.5 64 79 A G S S- 0 0 44 -8,-0.3 2,-0.4 -10,-0.1 -8,-0.2 -0.271 90.5 -45.5 76.2-160.2 -2.9 16.2 22.9 65 80 A I E -N 55 0C 58 -10,-2.1 -10,-2.7 -2,-0.0 2,-0.3 -0.918 50.8-156.2-115.1 137.0 -0.5 14.9 25.6 66 81 A T E -N 54 0C 47 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.791 10.2-176.9-113.9 154.8 3.2 14.4 25.1 67 82 A S E -N 53 0C 2 -14,-2.1 -14,-2.9 -2,-0.3 2,-0.1 -0.992 20.2-139.5-148.9 146.0 5.7 12.3 26.8 68 83 A S - 0 0 63 -2,-0.3 23,-2.0 -16,-0.2 24,-0.5 -0.375 42.2 -97.1 -82.6 168.7 9.4 11.5 26.8 69 84 A L E -O 90 0C 22 -18,-0.5 21,-0.3 -21,-0.3 3,-0.1 -0.819 28.3-175.3 -96.2 136.7 10.5 7.9 27.2 70 85 A S E S- 0 0 71 19,-2.9 2,-0.3 -2,-0.4 20,-0.2 0.788 74.6 -5.5 -89.5 -33.4 11.6 6.4 30.5 71 86 A S E -O 89 0C 48 18,-1.2 18,-2.7 -23,-0.1 2,-0.4 -0.988 53.7-145.0-158.5 158.5 12.6 3.0 28.9 72 87 A V E -O 88 0C 34 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.998 10.8-173.1-128.2 129.9 12.7 0.9 25.8 73 88 A R E -O 87 0C 105 14,-2.8 14,-2.7 -2,-0.4 2,-0.2 -0.937 8.9-162.6-124.3 106.2 12.2 -2.8 25.7 74 89 A V E -O 86 0C 38 -2,-0.5 12,-0.3 12,-0.2 10,-0.1 -0.642 42.4 -86.5 -78.8 146.2 12.8 -4.5 22.4 75 90 A H > - 0 0 26 10,-2.6 3,-2.0 8,-0.3 -1,-0.1 -0.298 41.8-124.9 -48.2 129.3 11.4 -8.1 21.8 76 91 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.838 108.7 40.4 -54.1 -33.8 14.3 -10.3 23.2 77 92 A S T 3 S+ 0 0 69 6,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.042 73.9 150.1-102.1 16.0 14.4 -12.3 19.9 78 93 A Y < + 0 0 63 -3,-2.0 2,-0.4 7,-0.1 5,-0.2 -0.512 22.8 168.7 -48.8 114.6 14.0 -9.3 17.5 79 94 A S B > -Q 82 0E 75 3,-1.9 3,-2.3 -2,-0.3 2,-0.4 -0.949 53.0 -41.2-144.2 115.3 16.1 -10.7 14.6 80 95 A G T 3 S- 0 0 64 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.472 124.8 -24.9 68.1-126.5 16.1 -9.2 11.1 81 96 A N T 3 S+ 0 0 74 -2,-0.4 3,-0.5 77,-0.1 -1,-0.3 0.369 119.6 107.8 -92.7 -1.9 12.5 -8.1 10.2 82 97 A N B < S+Q 79 0E 25 -3,-2.3 -3,-1.9 1,-0.2 3,-0.1 -0.587 77.9 10.5 -94.4 145.6 11.3 -10.7 12.7 83 98 A N S S+ 0 0 17 -2,-0.3 2,-2.0 -5,-0.2 -8,-0.3 0.926 77.5 179.7 58.6 46.6 9.7 -10.1 16.1 84 99 A D + 0 0 2 -3,-0.5 2,-0.3 78,-0.2 127,-0.2 -0.385 32.3 113.2 -84.4 60.6 9.5 -6.4 15.2 85 100 A L - 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