==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-00 1GDU . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR W.R.RYPNIEWSKI,P.OESTERGAARD,M.NOERREGAARD-MADSEN,M.DAUTER, . 227 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 60.8 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 . 78 34.4 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.6 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 . 5 2 4 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 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 A I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.7 -2.7 8.3 -7.9 2 17 A V B +A 174 0A 21 172,-3.0 172,-1.7 1,-0.2 125,-0.1 -0.871 360.0 9.3-102.3 132.5 -3.2 8.9 -11.6 3 18 A G S S+ 0 0 44 -2,-0.4 -1,-0.2 123,-0.4 172,-0.1 0.712 100.5 140.6 78.5 18.1 -6.8 9.3 -12.9 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.119 44.2-138.4 -94.0-179.3 -8.2 9.5 -9.4 5 20 A T E -B 139 0B 90 134,-2.5 134,-2.4 -3,-0.1 2,-0.1 -0.922 39.8 -80.2-134.4 158.3 -10.8 11.4 -7.5 6 21 A S E -B 138 0B 88 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.415 42.7-128.5 -62.4 135.1 -10.8 12.9 -4.0 7 22 A A - 0 0 8 130,-2.4 2,-0.2 -2,-0.1 -1,-0.1 -0.536 21.0-130.9 -72.7 149.8 -11.4 10.5 -1.1 8 23 A S > - 0 0 73 -2,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.607 35.7 -79.8 -95.7 160.9 -14.0 11.4 1.4 9 24 A A T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.2 48,-0.0 -0.328 118.1 16.1 -55.8 133.9 -13.7 11.4 5.2 10 25 A G T 3 S+ 0 0 36 89,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.473 87.1 118.8 79.3 1.1 -14.0 7.9 6.6 11 26 A D S < S+ 0 0 43 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.872 93.4 16.6 -60.8 -38.2 -13.5 6.2 3.2 12 27 A F S > S+ 0 0 14 -4,-0.4 3,-1.8 87,-0.1 -1,-0.3 -0.747 71.8 178.8-135.6 79.9 -10.4 4.5 4.5 13 28 A P T 3 S+ 0 0 48 0, 0.0 88,-1.5 0, 0.0 43,-0.2 0.755 82.2 49.1 -58.2 -24.4 -10.4 4.7 8.3 14 29 A F T 3 S+ 0 0 9 86,-0.2 16,-3.2 88,-0.1 89,-0.2 0.399 81.6 118.9 -94.1 -2.8 -7.2 2.7 8.6 15 30 A I E < -K 29 0C 9 -3,-1.8 41,-0.7 14,-0.2 2,-0.4 -0.425 39.4-173.9 -74.9 141.9 -5.1 4.6 6.1 16 31 A V E -KL 28 55C 0 12,-2.3 12,-1.8 39,-0.2 2,-0.4 -0.966 19.2-136.2-126.0 150.0 -1.9 6.3 7.2 17 32 A S E -KL 27 54C 5 37,-2.1 37,-2.1 -2,-0.4 2,-0.5 -0.818 16.8-151.6 -97.7 144.6 0.5 8.6 5.5 18 33 A I E -KL 26 53C 2 8,-2.7 8,-2.3 -2,-0.4 7,-0.9 -0.968 11.2-169.2-121.9 113.2 4.3 8.0 6.0 19 34 A S E -KL 24 52C 18 33,-2.7 33,-1.9 -2,-0.5 2,-0.4 -0.699 4.2-159.5 -97.8 156.0 6.6 10.9 5.8 20 35 A R E > S-KL 23 51C 58 3,-2.6 3,-2.1 -2,-0.3 31,-0.2 -0.991 75.0 -7.3-137.4 130.3 10.4 10.6 5.7 21 37 A N T 3 S- 0 0 127 29,-2.3 30,-0.1 -2,-0.4 -1,-0.1 0.844 130.6 -58.4 52.0 34.0 12.8 13.4 6.5 22 38 A G T 3 S+ 0 0 76 28,-0.5 -1,-0.3 1,-0.3 29,-0.1 0.481 119.2 95.7 76.6 7.9 9.8 15.6 6.7 23 39 A G E < S-K 20 0C 25 -3,-2.1 -3,-2.6 1,-0.1 -1,-0.3 -0.764 85.0 -76.1-121.2 171.1 8.6 15.0 3.1 24 40 A P E +K 19 0C 60 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.255 58.0 146.4 -65.7 147.1 6.1 12.7 1.4 25 41 A W E - 0 0 82 -7,-0.9 2,-0.3 1,-0.4 155,-0.2 0.454 52.4 -22.0-145.4 -63.1 7.2 9.1 1.1 26 42 A a E -K 18 0C 8 -8,-2.3 -8,-2.7 153,-0.1 -1,-0.4 -0.883 47.9-119.9-149.6 176.3 4.7 6.2 1.3 27 43 A G E +K 17 0C 2 153,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.705 27.2 176.8-114.3 176.8 1.3 5.1 2.6 28 44 A G E -K 16 0C 0 -12,-1.8 -12,-2.3 -2,-0.2 2,-0.4 -0.960 25.3-112.3-165.9 178.6 0.3 2.3 5.0 29 45 A S E -KM 15 37C 3 8,-2.3 8,-2.9 -2,-0.3 2,-0.5 -0.992 23.0-128.4-129.1 131.1 -2.6 0.7 6.8 30 46 A L E + M 0 36C 1 -16,-3.2 73,-2.3 -2,-0.4 6,-0.2 -0.662 25.7 177.1 -78.4 119.3 -3.3 0.7 10.5 31 47 A L E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.737 65.9 -22.1 -93.5 -31.4 -3.8 -2.9 11.7 32 48 A N E > S- M 0 35C 39 3,-1.1 3,-1.3 69,-0.1 -1,-0.3 -0.893 92.4 -62.3-164.6-174.6 -4.3 -2.3 15.5 33 49 A A T 3 S+ 0 0 32 1,-0.3 61,-2.6 -2,-0.3 59,-0.1 0.729 131.4 20.9 -60.3 -27.4 -3.3 0.4 18.0 34 50 A N T 3 S+ 0 0 57 59,-0.2 56,-2.3 190,-0.2 2,-0.4 0.217 108.1 85.1-126.5 22.9 0.4 0.1 17.6 35 51 A T E < -MN 32 89C 0 -3,-1.3 -4,-2.6 54,-0.2 -3,-1.1 -0.982 44.6-175.3-138.1 129.2 0.9 -1.6 14.2 36 52 A V E -MN 30 88C 0 52,-2.4 52,-3.1 -2,-0.4 2,-0.5 -0.963 14.7-148.0-117.3 137.6 1.1 -0.4 10.6 37 53 A L E +MN 29 87C 2 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.884 34.4 146.2 -97.9 132.1 1.4 -2.5 7.4 38 54 A T E - N 0 86C 0 48,-2.3 48,-2.4 -2,-0.5 2,-0.3 -0.828 52.3 -68.1-147.4-175.4 3.4 -0.9 4.5 39 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 46,-0.2 4,-0.5 -0.644 36.2-132.5 -79.1 139.0 5.7 -2.0 1.7 40 56 A A H >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-1.5 0.877 105.1 62.3 -55.9 -37.9 9.1 -3.3 2.6 41 57 A H H 34 S+ 0 0 33 1,-0.3 -1,-0.2 2,-0.2 44,-0.0 0.707 94.7 62.7 -68.9 -16.9 10.8 -1.1 0.1 42 58 A a H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.763 123.8 11.9 -69.7 -25.2 9.5 2.0 1.9 43 59 A V H X< S+ 0 0 4 -3,-1.5 3,-1.5 -4,-0.5 -2,-0.2 0.588 82.8 128.2-129.3 -19.5 11.4 1.2 5.1 44 59AA S T 3< S- 0 0 53 -4,-2.8 3,-0.1 1,-0.3 29,-0.0 -0.274 91.0 -11.9 -62.2 119.7 14.0 -1.6 4.6 45 59BA G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.311 101.1 125.2 78.8 -8.5 17.5 -0.5 5.8 46 59CA Y S < S- 0 0 96 -3,-1.5 2,-0.3 1,-0.1 -1,-0.2 -0.493 76.9 -86.5 -77.0 155.6 16.6 3.2 6.2 47 59DA A > - 0 0 69 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 -0.448 35.3-147.6 -60.9 125.5 17.2 5.1 9.5 48 60 A Q G > S+ 0 0 75 -2,-0.3 3,-1.5 1,-0.3 21,-0.3 0.781 90.7 69.9 -71.0 -26.0 14.0 4.5 11.4 49 61 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.684 87.5 67.9 -65.5 -17.8 14.1 7.9 13.1 50 62 A G G < S+ 0 0 18 -3,-1.4 -29,-2.3 -30,-0.1 -28,-0.5 0.584 85.7 87.5 -74.7 -13.8 13.4 9.6 9.8 51 63 A F E < +L 20 0C 7 -3,-1.5 18,-0.5 -31,-0.2 2,-0.4 -0.687 47.6 178.8 -97.1 144.7 9.8 8.3 9.6 52 64 A Q E -L 19 0C 78 -33,-1.9 -33,-2.7 -2,-0.3 2,-0.4 -0.998 14.4-150.2-137.0 139.5 6.6 9.7 11.0 53 65 A I E -LO 18 67C 0 14,-2.8 14,-1.9 -2,-0.4 2,-0.4 -0.844 6.0-163.1-105.0 147.4 3.1 8.2 10.5 54 65AA R E -LO 17 66C 41 -37,-2.1 -37,-2.1 -2,-0.4 2,-0.3 -0.995 11.0-178.9-131.2 126.7 -0.1 10.3 10.5 55 66 A A E +LO 16 65C 3 10,-2.7 10,-2.2 -2,-0.4 -39,-0.2 -0.846 56.4 34.0-117.8 154.8 -3.5 8.7 11.0 56 69 A G S S+ 0 0 27 -41,-0.7 2,-0.3 -2,-0.3 8,-0.3 0.685 92.9 95.7 82.1 16.1 -7.0 10.0 11.0 57 70 A S - 0 0 34 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.994 63.5-146.3-138.8 147.8 -6.6 12.8 8.3 58 71 A L S S+ 0 0 56 -2,-0.3 79,-1.9 -3,-0.1 2,-0.3 0.726 89.4 76.6 -75.9 -21.6 -7.2 13.2 4.6 59 72 A S B -Q 136 0D 13 3,-0.4 77,-0.2 77,-0.2 -42,-0.1 -0.709 68.2-154.6 -91.4 140.5 -4.2 15.5 4.7 60 73 A R S S+ 0 0 37 75,-2.0 -1,-0.1 -2,-0.3 76,-0.1 0.640 94.7 44.7 -82.2 -12.5 -0.7 14.2 4.8 61 74 A T S S+ 0 0 69 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.616 115.9 22.8-107.5 -19.9 0.6 17.4 6.4 62 75 A S S S+ 0 0 72 -8,-0.0 -3,-0.4 0, 0.0 -1,-0.2 -0.982 88.9 30.6-149.9 155.0 -1.9 18.3 9.1 63 76 A G S S+ 0 0 44 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 -0.027 75.8 55.8 87.9 170.1 -4.5 16.9 11.4 64 80 A G S S- 0 0 50 -8,-0.3 2,-0.4 -10,-0.1 -8,-0.2 -0.281 92.8 -47.3 70.9-151.7 -5.1 13.5 13.0 65 81 A I E -O 55 0C 60 -10,-2.2 -10,-2.7 2,-0.0 2,-0.3 -0.975 50.3-156.5-125.9 133.0 -2.6 11.7 15.2 66 82 A T E +O 54 0C 53 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.747 10.6 179.9-111.3 156.1 1.1 11.2 14.6 67 83 A S E -O 53 0C 3 -14,-1.9 -14,-2.8 -2,-0.3 2,-0.1 -0.986 20.5-136.4-149.9 147.8 3.6 8.7 15.8 68 84 A S - 0 0 60 -2,-0.3 23,-2.3 -16,-0.2 24,-0.5 -0.371 40.1 -95.5 -83.7 175.3 7.3 7.8 15.4 69 85 A L E -P 90 0C 13 -18,-0.5 21,-0.3 -21,-0.3 3,-0.1 -0.752 27.7-176.4 -99.7 143.5 8.4 4.2 14.9 70 86 A S E S- 0 0 60 19,-3.1 2,-0.3 1,-0.4 20,-0.2 0.743 73.5 -5.9-101.5 -33.0 9.6 1.8 17.6 71 87 A S E -P 89 0C 51 18,-1.2 18,-2.4 -23,-0.1 -1,-0.4 -0.983 53.4-146.9-159.2 162.9 10.6 -1.1 15.3 72 88 A V E -P 88 0C 48 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.999 11.3-174.7-135.3 131.5 10.5 -2.4 11.7 73 89 A R E -P 87 0C 118 14,-2.5 14,-2.7 -2,-0.4 2,-0.2 -0.975 8.9-160.9-130.4 118.3 10.1 -6.0 10.6 74 90 A V E -P 86 0C 47 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.623 38.9 -86.4 -92.5 151.7 10.4 -6.9 6.9 75 91 A H > - 0 0 25 10,-2.3 3,-2.1 8,-0.3 -1,-0.1 -0.323 39.7-124.7 -53.4 136.6 9.0 -10.1 5.5 76 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.700 109.1 45.7 -65.0 -16.0 11.7 -12.8 5.9 77 93 A S T 3 S+ 0 0 71 6,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.069 76.9 141.0-111.0 20.6 11.7 -13.6 2.2 78 94 A Y < + 0 0 61 -3,-2.1 2,-0.3 7,-0.1 5,-0.2 -0.494 20.3 151.5 -59.5 127.1 11.7 -10.0 0.9 79 95 A S B > -R 82 0E 87 3,-1.8 3,-2.3 -2,-0.3 2,-0.1 -0.918 60.3 -31.2-161.6 129.1 14.0 -9.9 -2.1 80 96 A G T 3 S- 0 0 57 -2,-0.3 -39,-0.0 1,-0.3 -2,-0.0 -0.405 126.3 -28.1 57.1-129.7 13.8 -7.6 -5.2 81 99 A N T > S+ 0 0 65 -2,-0.1 3,-0.5 -3,-0.1 2,-0.3 0.383 115.7 109.0 -90.6 -1.9 10.2 -6.8 -5.7 82 100 A N B < S+R 79 0E 40 -3,-2.3 -3,-1.8 1,-0.2 3,-0.1 -0.616 81.9 5.4 -87.4 140.6 9.0 -10.0 -4.1 83 101 A N T 3 S- 0 0 13 -2,-0.3 2,-2.0 -5,-0.2 -8,-0.3 0.909 77.6-178.5 59.4 47.6 7.3 -10.3 -0.7 84 102 A D < + 0 0 2 -3,-0.5 2,-0.3 78,-0.1 127,-0.2 -0.396 33.1 113.3 -86.3 66.3 7.2 -6.5 -0.5 85 103 A L - 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