==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-00 1FY4 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR W.R.RYPNIEWSKI,P.OESTERGAARD,M.NOERREGAARD-MADSEN,M.DAUTER,K . 227 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 60.4 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 . 23 10.1 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 3 2 4 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 0.000 360.0 360.0 360.0 127.9 -2.9 8.1 -7.8 2 17 A V B +A 174 0A 22 172,-3.0 172,-1.9 1,-0.2 125,-0.1 -0.873 360.0 9.1-103.6 132.9 -3.4 8.7 -11.5 3 18 A G S S+ 0 0 47 -2,-0.4 -1,-0.2 123,-0.3 2,-0.1 0.715 100.9 136.2 76.6 20.3 -6.9 9.0 -12.9 4 19 A G - 0 0 30 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.151 46.8-131.9 -93.7-175.8 -8.4 9.2 -9.4 5 20 A T E -B 139 0B 89 134,-2.7 134,-2.4 -3,-0.1 2,-0.2 -0.899 39.7 -80.6-132.3 162.7 -11.0 11.1 -7.5 6 21 A S E -B 138 0B 88 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.454 43.6-125.1 -64.5 133.1 -11.0 12.8 -4.1 7 22 A A - 0 0 9 130,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.493 24.2-130.1 -70.2 149.9 -11.5 10.5 -1.1 8 23 A S > - 0 0 68 -2,-0.2 3,-2.4 1,-0.1 -1,-0.1 -0.636 34.6 -83.2 -94.6 155.7 -14.3 11.5 1.2 9 24 A A T 3 S+ 0 0 69 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.336 119.9 26.3 -55.3 136.1 -14.0 11.7 5.0 10 25 A G T 3 S+ 0 0 35 1,-0.4 -1,-0.3 89,-0.2 2,-0.2 0.356 89.9 127.1 86.8 -9.1 -14.4 8.3 6.6 11 26 A D S < S+ 0 0 48 -3,-2.4 -1,-0.4 1,-0.2 4,-0.2 -0.531 82.2 3.8 -69.2 153.1 -13.2 6.5 3.4 12 27 A F S > S- 0 0 26 -2,-0.2 3,-2.0 1,-0.1 -1,-0.2 0.934 76.9-173.4 38.2 64.5 -10.3 4.1 4.2 13 28 A P T 3 S+ 0 0 50 0, 0.0 88,-1.6 0, 0.0 43,-0.3 0.781 80.3 53.0 -63.2 -20.1 -10.5 4.8 8.0 14 29 A F T 3 S+ 0 0 16 86,-0.2 16,-3.3 88,-0.1 89,-0.2 0.429 82.7 116.9 -90.0 -4.3 -7.4 2.6 8.5 15 30 A I E < -K 29 0C 8 -3,-2.0 41,-0.7 14,-0.2 2,-0.4 -0.430 42.6-170.0 -73.9 144.0 -5.2 4.5 6.0 16 31 A V E -KL 28 55C 0 12,-2.5 12,-1.9 39,-0.1 2,-0.4 -0.961 17.4-137.3-124.9 147.2 -2.1 6.3 7.2 17 32 A S E -KL 27 54C 8 37,-2.2 37,-2.2 -2,-0.4 2,-0.5 -0.812 18.8-151.7 -93.6 146.1 0.2 8.6 5.4 18 33 A I E -KL 26 53C 4 8,-2.8 8,-2.4 -2,-0.4 7,-0.9 -0.966 10.0-168.1-125.0 114.3 3.9 8.1 6.0 19 34 A S E -KL 24 52C 22 33,-2.6 33,-1.8 -2,-0.5 2,-0.4 -0.648 5.2-157.1 -95.5 158.4 6.4 11.0 5.8 20 35 A R E > S-KL 23 51C 62 3,-2.6 3,-2.0 -2,-0.2 31,-0.2 -0.994 78.1 -7.9-136.0 127.4 10.1 10.6 5.7 21 37 A N T 3 S- 0 0 132 29,-2.3 30,-0.1 -2,-0.4 -1,-0.1 0.845 130.1 -58.7 54.9 31.7 12.4 13.5 6.8 22 38 A G T 3 S+ 0 0 74 28,-0.6 -1,-0.3 1,-0.3 29,-0.1 0.471 119.2 99.0 82.1 0.2 9.3 15.7 7.0 23 39 A G E < S-K 20 0C 25 -3,-2.0 -3,-2.6 1,-0.1 -1,-0.3 -0.738 85.1 -78.8-117.8 165.1 8.3 15.1 3.3 24 40 A P E +K 19 0C 69 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.275 59.3 144.8 -63.6 148.3 5.8 12.9 1.6 25 41 A W E - 0 0 82 -7,-0.9 155,-0.3 1,-0.4 2,-0.2 0.448 52.1 -19.4-146.3 -65.9 7.0 9.3 1.1 26 42 A a E -K 18 0C 8 -8,-2.4 -8,-2.8 153,-0.1 -1,-0.4 -0.833 47.6-122.4-145.1 176.7 4.6 6.3 1.4 27 43 A G E +K 17 0C 1 153,-2.9 12,-0.4 -2,-0.2 2,-0.3 -0.741 27.0 177.0-116.7 176.9 1.2 5.1 2.6 28 44 A G E -K 16 0C 0 -12,-1.9 -12,-2.5 -2,-0.2 2,-0.4 -0.956 26.5-109.2-165.7-177.8 0.2 2.3 4.9 29 45 A S E -KM 15 37C 3 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.991 23.3-130.0-131.4 127.8 -2.6 0.6 6.7 30 46 A L E + M 0 36C 0 -16,-3.3 73,-2.4 -2,-0.4 6,-0.2 -0.656 25.6 177.4 -79.8 117.7 -3.4 0.7 10.5 31 47 A L E - 0 0 17 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.763 66.0 -22.7 -90.1 -31.9 -3.8 -2.9 11.6 32 48 A N E > S- M 0 35C 40 3,-1.1 3,-1.4 69,-0.1 -1,-0.3 -0.897 91.4 -64.4-167.2-177.3 -4.3 -2.2 15.3 33 49 A A T 3 S+ 0 0 30 1,-0.3 61,-2.6 -2,-0.3 59,-0.1 0.733 131.1 24.2 -61.9 -26.1 -3.5 0.5 17.8 34 50 A N T 3 S+ 0 0 59 59,-0.2 56,-2.4 190,-0.2 2,-0.4 0.240 109.0 80.7-123.4 21.3 0.3 0.1 17.5 35 51 A T E < -MN 32 89C 0 -3,-1.4 -4,-2.6 54,-0.2 -3,-1.1 -0.989 45.3-175.8-140.3 131.5 0.9 -1.5 14.1 36 52 A V E -MN 30 88C 0 52,-2.4 52,-3.1 -2,-0.4 2,-0.5 -0.960 15.4-147.2-119.9 138.9 1.0 -0.3 10.5 37 53 A L E +MN 29 87C 1 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.907 33.5 150.1 -98.8 129.5 1.4 -2.5 7.4 38 54 A T E - N 0 86C 0 48,-2.4 48,-2.5 -2,-0.5 2,-0.3 -0.795 51.2 -71.1-141.5-176.0 3.4 -0.9 4.6 39 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 46,-0.3 4,-0.5 -0.665 36.9-131.2 -79.0 141.6 5.6 -2.0 1.7 40 56 A A H >> S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.3 3,-1.6 0.875 105.7 61.3 -57.5 -39.4 9.0 -3.2 2.6 41 57 A H H 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 44,-0.0 0.723 95.0 63.5 -66.6 -18.6 10.7 -1.0 0.1 42 58 A a H <4 S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.770 124.4 10.4 -69.2 -26.0 9.3 2.0 1.8 43 59 A V H X< S+ 0 0 4 -3,-1.6 3,-1.5 -4,-0.5 -2,-0.2 0.589 85.1 126.7-126.3 -32.0 11.3 1.3 5.0 44 59AA S T 3< S- 0 0 52 -4,-3.0 3,-0.1 1,-0.3 29,-0.0 -0.215 93.2 -11.9 -53.0 122.5 14.0 -1.5 4.6 45 59BA G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.226 103.5 121.6 75.9 -14.8 17.4 -0.3 5.6 46 59CA Y S < S- 0 0 87 -3,-1.5 2,-0.2 1,-0.1 -1,-0.2 -0.467 80.4 -87.1 -74.8 151.5 16.5 3.4 5.9 47 59DA A > - 0 0 67 1,-0.2 3,-1.6 -2,-0.1 4,-0.2 -0.427 34.7-146.6 -60.5 124.8 16.9 5.2 9.3 48 60 A Q G > S+ 0 0 78 1,-0.3 3,-1.8 -2,-0.2 21,-0.3 0.799 91.7 71.0 -68.0 -25.3 13.7 4.5 11.2 49 61 A S G 3 S+ 0 0 114 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.713 86.2 68.5 -64.4 -18.4 13.9 7.9 12.9 50 62 A G G < S+ 0 0 13 -3,-1.6 -29,-2.3 -30,-0.1 -28,-0.6 0.657 86.0 89.0 -73.7 -13.2 13.1 9.6 9.6 51 63 A F E < +L 20 0C 5 -3,-1.8 18,-0.5 -31,-0.2 2,-0.4 -0.639 46.0 176.8 -96.7 144.7 9.5 8.3 9.5 52 64 A Q E -LO 19 68C 75 -33,-1.8 -33,-2.6 -2,-0.3 2,-0.3 -0.998 15.8-149.6-137.9 137.1 6.2 9.7 10.9 53 65 A I E -LO 18 67C 0 14,-2.9 14,-2.0 -2,-0.4 2,-0.4 -0.822 7.3-164.2-102.4 144.9 2.8 8.1 10.5 54 65AA R E -LO 17 66C 39 -37,-2.2 -37,-2.2 -2,-0.3 2,-0.3 -0.998 10.0-178.4-130.4 128.6 -0.5 10.2 10.4 55 66 A A E +LO 16 65C 2 10,-2.7 10,-2.3 -2,-0.4 -39,-0.1 -0.866 56.3 31.7-120.2 155.3 -3.9 8.6 10.8 56 69 A G S S+ 0 0 25 -41,-0.7 2,-0.3 -2,-0.3 8,-0.3 0.727 92.6 97.5 78.1 20.9 -7.4 10.0 10.7 57 70 A S - 0 0 33 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.999 64.3-145.7-141.5 143.2 -7.0 12.8 8.2 58 71 A L S S+ 0 0 52 -2,-0.3 79,-2.1 -3,-0.1 2,-0.3 0.728 89.6 77.2 -70.6 -25.6 -7.5 13.3 4.5 59 72 A S B -Q 136 0D 15 3,-0.4 77,-0.2 77,-0.2 -42,-0.2 -0.694 66.9-156.7 -86.7 142.2 -4.5 15.5 4.6 60 73 A R S S+ 0 0 49 75,-2.1 -1,-0.1 -2,-0.3 76,-0.1 0.578 94.6 45.4 -85.7 -10.4 -0.9 14.1 4.7 61 74 A T S S+ 0 0 66 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.644 117.4 19.6-104.0 -22.5 0.4 17.3 6.3 62 75 A S S S+ 0 0 68 73,-0.2 -3,-0.4 -8,-0.0 -1,-0.2 -0.982 89.6 31.0-151.9 155.2 -2.1 18.2 9.0 63 76 A G S S+ 0 0 44 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 -0.039 75.9 57.6 85.6 172.9 -4.8 16.8 11.2 64 80 A G S S- 0 0 43 -8,-0.3 2,-0.4 -10,-0.1 -8,-0.2 -0.312 94.0 -48.2 68.7-153.2 -5.5 13.4 12.7 65 81 A I E -O 55 0C 75 -10,-2.3 -10,-2.7 -3,-0.1 2,-0.3 -0.986 51.2-155.6-125.8 134.7 -3.0 11.6 15.0 66 82 A T E +O 54 0C 50 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.729 10.6 180.0-112.0 159.2 0.7 11.1 14.5 67 83 A S E -O 53 0C 3 -14,-2.0 -14,-2.9 -2,-0.3 2,-0.1 -0.979 19.8-138.1-150.2 147.4 3.3 8.6 15.7 68 84 A S E -O 52 0C 62 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.339 40.9 -94.4 -81.4 176.7 7.0 7.9 15.3 69 85 A L E -P 90 0C 19 -18,-0.5 21,-0.3 -21,-0.3 3,-0.1 -0.785 27.4-175.8-100.4 141.0 8.2 4.3 14.9 70 86 A S E S- 0 0 68 19,-3.0 2,-0.3 -2,-0.4 20,-0.2 0.716 74.7 -8.0 -95.4 -32.0 9.5 2.0 17.6 71 87 A S E -P 89 0C 49 18,-1.2 18,-2.4 -23,-0.1 -1,-0.4 -0.986 53.4-145.9-160.7 164.8 10.5 -0.8 15.2 72 88 A V E -P 88 0C 35 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.999 12.6-176.8-137.7 132.5 10.4 -2.1 11.6 73 89 A R E -P 87 0C 109 14,-2.4 14,-2.9 -2,-0.4 2,-0.2 -0.967 9.5-160.1-133.7 117.7 10.2 -5.7 10.5 74 90 A V E -P 86 0C 42 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.600 41.2 -83.4 -91.3 156.1 10.3 -6.7 6.8 75 91 A H > - 0 0 25 10,-2.5 3,-2.2 8,-0.3 -1,-0.1 -0.308 42.3-121.9 -54.0 137.7 9.1 -9.9 5.5 76 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.685 111.2 45.2 -64.6 -16.4 11.9 -12.5 6.0 77 93 A S T 3 S+ 0 0 75 6,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.148 82.0 140.5-109.4 19.4 12.0 -13.2 2.3 78 94 A Y < + 0 0 52 -3,-2.2 2,-0.3 7,-0.1 5,-0.2 -0.401 15.6 157.7 -61.8 130.8 11.8 -9.7 1.1 79 95 A S B > -R 82 0E 89 3,-2.2 3,-2.6 -2,-0.1 2,-0.4 -0.780 61.1 -56.9-153.8 110.9 14.0 -8.8 -1.9 80 96 A G T 3 S- 0 0 44 1,-0.3 -39,-0.1 -2,-0.3 -2,-0.0 -0.379 126.5 -5.6 64.5-112.6 13.5 -5.9 -4.3 81 99 A N T 3 S+ 0 0 63 -2,-0.4 3,-0.5 -3,-0.1 2,-0.3 0.597 117.3 92.5 -86.9 -19.3 10.0 -6.4 -5.7 82 100 A N B < S+R 79 0E 43 -3,-2.6 -3,-2.2 1,-0.2 3,-0.1 -0.649 95.7 0.4 -90.3 142.4 9.2 -9.8 -4.0 83 101 A N S S- 0 0 13 -2,-0.3 2,-1.9 -5,-0.2 -8,-0.3 0.929 79.8-178.0 57.6 49.8 7.5 -10.2 -0.6 84 102 A D + 0 0 2 -3,-0.5 2,-0.3 78,-0.2 127,-0.2 -0.360 32.1 110.5 -90.2 62.6 7.2 -6.5 -0.4 85 103 A L - 0 0 0 -2,-1.9 -10,-2.5 -46,-0.3 2,-0.3 -0.979 37.7-176.5-133.0 150.5 5.6 -6.0 3.1 86 104 A A E -NP 38 74C 0 -48,-2.5 -48,-2.4 -2,-0.3 2,-0.5 -0.990 19.8-137.3-142.1 148.7 6.8 -4.7 6.4 87 105 A I E -NP 37 73C 2 -14,-2.9 -14,-2.4 -2,-0.3 2,-0.4 -0.933 19.7-162.8-104.7 126.1 5.3 -4.3 9.9 88 106 A L E -NP 36 72C 0 -52,-3.1 -52,-2.4 -2,-0.5 2,-0.4 -0.915 7.1-148.6-109.0 133.0 5.9 -1.1 11.7 89 107 A K E -NP 35 71C 37 -18,-2.4 -19,-3.0 -2,-0.4 -18,-1.2 -0.872 19.8-132.2-101.0 138.3 5.4 -0.7 15.4 90 108 A L E - 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