==== 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 18-JUN-03 1PQ5 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR A.SCHMIDT,C.JELSCH,W.RYPNIEWSKI,V.S.LAMZIN . 225 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 60.9 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 . 74 32.9 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 . 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 . 9 4.0 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 3 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 A I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 129.0 -2.5 8.4 -7.7 2 17 A V B +A 174 0A 20 172,-2.9 172,-1.8 1,-0.2 125,-0.1 -0.879 360.0 9.3-101.6 132.8 -3.1 9.0 -11.4 3 18 A G S S+ 0 0 47 -2,-0.4 -1,-0.2 123,-0.4 2,-0.1 0.717 100.6 140.6 76.1 21.2 -6.6 9.6 -12.6 4 19 A G - 0 0 29 -3,-0.4 2,-0.3 136,-0.1 136,-0.2 -0.240 43.3-141.4 -95.9 178.3 -8.0 9.8 -9.1 5 20 A T E -B 139 0B 91 134,-2.5 134,-2.4 -2,-0.1 2,-0.2 -0.887 41.3 -78.7-130.8 163.3 -10.5 11.7 -7.1 6 21 A S E -B 138 0B 84 -2,-0.3 132,-0.3 132,-0.2 2,-0.2 -0.438 44.6-126.2 -67.8 131.2 -10.5 13.0 -3.6 7 22 A A - 0 0 7 130,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.503 24.7-126.4 -68.5 145.0 -11.2 10.4 -0.9 8 23 A S > - 0 0 72 -2,-0.2 3,-2.4 1,-0.1 4,-0.3 -0.556 37.2 -80.6 -86.3 158.0 -14.0 11.3 1.5 9 24 A A T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.2 48,-0.0 -0.340 119.1 16.4 -55.7 132.4 -13.6 11.3 5.3 10 25 A G T 3 S+ 0 0 34 89,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.434 86.0 120.7 80.7 2.6 -13.9 7.8 6.6 11 26 A D S < S+ 0 0 41 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.855 93.3 15.1 -62.7 -35.6 -13.4 6.1 3.2 12 27 A F S > S- 0 0 13 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.749 71.8-179.6-138.4 81.8 -10.3 4.3 4.6 13 28 A P T 3 S+ 0 0 46 0, 0.0 88,-1.6 0, 0.0 43,-0.3 0.787 84.0 48.6 -60.0 -24.3 -10.4 4.5 8.4 14 29 A F T 3 S+ 0 0 9 86,-0.2 16,-3.2 88,-0.1 89,-0.2 0.415 81.4 119.7 -93.0 -4.3 -7.2 2.6 8.6 15 30 A I E < -J 29 0C 7 -3,-2.0 41,-0.7 14,-0.2 2,-0.4 -0.437 40.0-172.8 -72.8 140.4 -5.1 4.5 6.1 16 31 A V E -JK 28 55C 0 12,-2.5 12,-1.9 -2,-0.2 2,-0.4 -0.952 20.1-134.1-123.1 147.6 -1.9 6.1 7.3 17 32 A S E -JK 27 54C 1 37,-2.1 37,-1.9 -2,-0.4 2,-0.6 -0.790 15.5-151.0 -89.2 144.3 0.5 8.4 5.7 18 33 A I E -JK 26 53C 0 8,-2.8 8,-2.5 -2,-0.4 7,-0.4 -0.931 13.7-168.7-118.7 101.2 4.2 7.6 6.2 19 34 A S E - K 0 52C 6 33,-2.8 33,-2.0 -2,-0.6 2,-0.4 -0.598 2.8-160.7 -81.7 153.5 6.4 10.7 6.1 20 35 A R E > S-JK 23 51C 58 3,-2.5 3,-2.1 31,-0.2 31,-0.2 -0.996 74.4 -7.4-137.2 129.6 10.1 10.3 5.9 21 36 A N T 3 S- 0 0 130 29,-2.4 30,-0.1 -2,-0.4 -1,-0.1 0.843 129.9 -59.7 57.4 30.7 12.6 13.1 6.8 22 37 A G T 3 S+ 0 0 65 28,-0.5 -1,-0.3 1,-0.3 29,-0.1 0.403 119.8 95.9 79.6 -0.7 9.4 15.4 7.1 23 38 A G E < S-J 20 0C 20 -3,-2.1 -3,-2.5 1,-0.1 -1,-0.3 -0.659 86.3 -73.0-117.9 172.0 8.4 14.9 3.5 24 39 A P E + 0 0 59 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.277 60.8 141.2 -61.7 148.7 6.0 12.6 1.5 25 40 A W E - 0 0 81 -7,-0.4 153,-0.3 1,-0.4 155,-0.3 0.354 54.6 -24.4-151.3 -65.5 7.2 9.1 1.2 26 41 A a E -J 18 0C 9 -8,-2.5 -8,-2.8 153,-0.1 -1,-0.4 -0.868 46.9-121.5-149.1 178.5 4.7 6.2 1.4 27 42 A G E +J 17 0C 2 153,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.720 26.0 177.0-117.8 176.8 1.3 5.0 2.7 28 43 A G E -J 16 0C 0 -12,-1.9 -12,-2.5 -2,-0.2 2,-0.4 -0.952 26.6-108.7-165.2-177.6 0.3 2.2 5.0 29 44 A S E -JL 15 37C 3 8,-2.3 8,-3.0 -2,-0.3 2,-0.6 -0.993 23.5-129.7-131.1 127.8 -2.6 0.5 6.7 30 45 A L E + L 0 36C 0 -16,-3.2 73,-2.4 -2,-0.4 6,-0.2 -0.659 25.7 177.9 -79.0 115.7 -3.3 0.5 10.5 31 46 A L E - 0 0 20 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.741 65.7 -22.7 -89.0 -31.1 -3.9 -3.1 11.6 32 47 A N E > S- L 0 35C 40 3,-1.1 3,-1.4 69,-0.1 -1,-0.3 -0.910 90.2 -66.0-166.9-179.1 -4.4 -2.5 15.3 33 48 A A T 3 S+ 0 0 30 -2,-0.3 61,-2.6 1,-0.3 59,-0.1 0.751 131.3 27.1 -58.9 -26.4 -3.4 0.2 17.8 34 49 A N T 3 S+ 0 0 56 59,-0.2 56,-2.4 190,-0.2 2,-0.4 0.265 109.1 78.1-120.5 17.7 0.3 -0.4 17.6 35 50 A T E < -LM 32 89C 0 -3,-1.4 -4,-2.6 54,-0.2 -3,-1.1 -0.985 44.8-174.4-142.0 133.3 0.8 -1.8 14.1 36 51 A V E -LM 30 88C 0 52,-2.4 52,-3.1 -2,-0.4 2,-0.5 -0.959 14.9-148.1-120.8 138.4 1.1 -0.6 10.5 37 52 A L E +LM 29 87C 2 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.2 -0.905 33.8 148.6 -99.5 130.0 1.4 -2.7 7.4 38 53 A T E - M 0 86C 0 48,-2.4 48,-2.5 -2,-0.5 2,-0.3 -0.799 52.0 -70.0-142.3-175.0 3.3 -1.1 4.5 39 54 A A >> - 0 0 0 -12,-0.4 3,-1.1 46,-0.3 4,-0.5 -0.663 37.5-131.5 -79.3 140.2 5.6 -2.1 1.6 40 55 A A H >> S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.3 3,-1.6 0.876 105.8 61.4 -56.8 -38.5 9.0 -3.5 2.6 41 56 A H H 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.761 94.8 63.1 -67.5 -19.8 10.7 -1.2 0.1 42 57 A a H <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.761 124.3 12.2 -65.8 -26.7 9.3 1.8 1.9 43 58 A V H X< S+ 0 0 2 -3,-1.6 3,-1.7 -4,-0.5 -2,-0.2 0.603 84.6 127.0-127.6 -23.1 11.3 1.0 5.1 44 59 A S T 3< S- 0 0 53 -4,-3.0 3,-0.1 1,-0.3 29,-0.0 -0.258 92.0 -12.7 -60.4 123.6 13.9 -1.8 4.6 45 60 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.352 102.8 123.9 74.0 -4.9 17.4 -0.7 5.8 46 61 A Y S < S- 0 0 87 -3,-1.7 2,-0.4 1,-0.1 -1,-0.2 -0.491 78.2 -85.3 -82.4 162.2 16.5 3.0 6.2 47 62 A A > - 0 0 68 1,-0.2 3,-1.7 -2,-0.2 4,-0.2 -0.463 38.1-149.1 -66.2 121.1 16.9 4.9 9.5 48 63 A Q G > S+ 0 0 80 -2,-0.4 3,-1.7 1,-0.3 21,-0.4 0.802 90.8 66.2 -62.8 -33.5 13.7 4.2 11.4 49 64 A S G 3 S+ 0 0 111 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.688 87.1 71.2 -67.2 -13.6 13.7 7.4 13.2 50 65 A G G < S+ 0 0 18 -3,-1.7 -29,-2.4 -30,-0.1 -28,-0.5 0.590 84.7 88.2 -75.9 -9.6 13.1 9.2 9.9 51 66 A F E < -K 20 0C 5 -3,-1.7 18,-0.5 -31,-0.2 2,-0.4 -0.708 50.3-177.3 -98.1 142.5 9.5 7.9 9.6 52 67 A Q E -K 19 0C 82 -33,-2.0 -33,-2.8 -2,-0.3 2,-0.3 -0.987 12.5-153.2-134.9 127.4 6.4 9.4 11.1 53 68 A I E -KN 18 67C 0 14,-3.0 14,-2.2 -2,-0.4 2,-0.4 -0.737 8.2-168.8 -92.7 143.4 3.0 7.8 10.7 54 69 A R E -KN 17 66C 35 -37,-1.9 -37,-2.1 -2,-0.3 2,-0.3 -0.995 5.6-176.9-134.0 130.8 -0.3 9.8 10.8 55 70 A A E +KN 16 65C 1 10,-2.7 10,-2.0 -2,-0.4 -39,-0.2 -0.841 59.0 35.3-116.5 156.3 -3.7 8.2 11.1 56 71 A G S S+ 0 0 24 -41,-0.7 8,-0.4 -43,-0.3 2,-0.3 0.681 93.5 97.6 82.6 15.9 -7.2 9.7 11.0 57 72 A S - 0 0 25 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.979 65.3-145.6-137.5 150.7 -6.6 12.4 8.4 58 73 A L S S+ 0 0 47 -2,-0.3 79,-2.2 -3,-0.1 2,-0.3 0.577 91.3 67.7 -80.9 -14.4 -7.0 13.1 4.7 59 74 A S B S-P 136 0D 10 3,-0.5 -42,-0.2 77,-0.2 77,-0.2 -0.736 72.7-144.7-104.3 155.9 -3.7 15.2 4.9 60 75 A R S S+ 0 0 47 75,-0.7 -41,-0.1 -2,-0.3 -1,-0.1 0.703 96.9 45.8 -80.6 -22.3 -0.2 13.9 5.6 61 76 A T S S+ 0 0 81 74,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.437 115.5 17.2-114.9 -0.8 0.8 17.0 7.6 62 77 A S S S+ 0 0 72 3,-0.0 -3,-0.5 -8,-0.0 -1,-0.1 -0.976 87.3 48.3-160.1 166.9 -2.0 17.8 10.1 63 78 A G S S+ 0 0 40 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 0.082 81.4 34.9 86.3 160.6 -5.0 16.2 11.7 64 79 A G S S- 0 0 44 -8,-0.4 2,-0.4 -10,-0.1 -1,-0.2 -0.221 97.5 -44.2 64.0-151.9 -5.5 12.9 13.3 65 80 A I E -N 55 0C 72 -10,-2.0 -10,-2.7 -3,-0.1 2,-0.2 -0.956 49.1-153.9-128.9 132.9 -2.9 11.1 15.4 66 81 A T E -N 54 0C 47 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.678 10.5-178.9-104.5 162.5 0.8 10.6 14.8 67 82 A S E -N 53 0C 2 -14,-2.2 -14,-3.0 -2,-0.2 2,-0.1 -0.973 19.2-140.1-154.3 146.9 3.4 8.1 15.9 68 83 A S - 0 0 60 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.351 42.0 -93.3 -83.5 177.1 7.1 7.4 15.5 69 84 A L E -O 90 0C 17 -18,-0.5 21,-0.3 -21,-0.4 3,-0.1 -0.783 27.5-175.3 -99.3 142.3 8.3 3.8 15.0 70 85 A S E S- 0 0 67 19,-3.1 2,-0.3 -2,-0.4 20,-0.2 0.729 74.9 -9.8 -94.6 -36.0 9.5 1.3 17.6 71 86 A S E -O 89 0C 47 18,-1.3 18,-2.3 -23,-0.1 2,-0.4 -0.990 52.4-144.7-160.7 162.3 10.5 -1.4 15.1 72 87 A V E -O 88 0C 32 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -1.000 13.7-177.6-131.2 132.9 10.4 -2.5 11.5 73 88 A R E -O 87 0C 122 14,-2.4 14,-2.8 -2,-0.4 2,-0.2 -0.970 10.5-158.1-134.2 117.1 10.1 -6.2 10.3 74 89 A V E -O 86 0C 45 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.534 41.6 -80.4 -86.8 159.9 10.2 -7.0 6.6 75 90 A H > - 0 0 25 10,-2.4 3,-2.1 8,-0.4 -1,-0.1 -0.320 40.7-124.2 -55.9 139.9 8.8 -10.2 5.2 76 91 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.676 111.3 44.4 -65.8 -14.1 11.3 -13.1 5.8 77 92 A S T 3 S+ 0 0 70 6,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.160 79.0 141.8-112.1 17.5 11.3 -13.9 2.1 78 93 A Y < + 0 0 62 -3,-2.1 2,-0.3 7,-0.1 5,-0.2 -0.369 18.2 154.3 -57.2 129.8 11.5 -10.3 0.8 79 94 A S B > -Q 82 0E 87 3,-2.1 3,-2.4 -2,-0.1 2,-0.1 -0.878 61.9 -35.5-162.3 123.3 13.8 -10.2 -2.2 80 95 A G T 3 S- 0 0 59 -2,-0.3 -1,-0.1 1,-0.3 -39,-0.0 -0.409 126.6 -26.3 59.0-130.8 13.8 -7.7 -5.1 81 96 A N T > S+ 0 0 73 -2,-0.1 3,-0.6 -3,-0.1 -1,-0.3 0.481 114.8 110.7 -85.9 -7.8 10.1 -6.8 -5.6 82 97 A N B < S+Q 79 0E 40 -3,-2.4 -3,-2.1 1,-0.2 3,-0.1 -0.536 83.5 5.1 -81.2 137.5 8.9 -10.1 -4.2 83 98 A N T 3 S- 0 0 10 -2,-0.3 2,-2.1 -5,-0.2 -8,-0.4 0.921 78.5-177.4 63.2 48.7 7.1 -10.4 -0.8 84 99 A D < + 0 0 2 -3,-0.6 2,-0.3 78,-0.2 127,-0.2 -0.394 34.2 112.3 -86.8 64.6 7.1 -6.6 -0.5 85 100 A L - 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