==== 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 1PQ7 . 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) . 8862.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 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 . 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 -0.880 360.0 9.2-100.8 132.9 -3.1 9.1 -11.4 3 18 A G S S+ 0 0 48 -2,-0.4 -1,-0.2 123,-0.4 2,-0.1 0.721 100.5 140.6 75.3 22.9 -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 -0.248 43.1-141.6 -96.6 177.8 -8.0 9.8 -9.1 5 20 A T E -B 139 0B 90 134,-2.5 134,-2.5 -2,-0.1 2,-0.2 -0.892 41.1 -78.2-131.1 163.8 -10.5 11.7 -7.1 6 21 A S E -B 138 0B 82 -2,-0.3 132,-0.3 132,-0.2 2,-0.2 -0.438 44.5-126.8 -67.6 130.8 -10.5 13.0 -3.5 7 22 A A - 0 0 8 130,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.501 24.3-126.2 -67.7 144.9 -11.2 10.4 -0.9 8 23 A S > - 0 0 73 -2,-0.2 3,-2.4 1,-0.1 4,-0.3 -0.562 37.1 -81.0 -86.2 157.2 -14.0 11.3 1.6 9 24 A A T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -2,-0.2 48,-0.0 -0.310 118.9 16.4 -55.0 131.7 -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 0.459 86.0 120.7 81.3 1.7 -13.9 7.8 6.6 11 26 A D S < S+ 0 0 40 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.849 93.4 15.3 -61.4 -36.1 -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 71.9-179.6-138.3 81.7 -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 0.782 84.1 48.5 -59.2 -25.5 -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 0.412 81.3 119.9 -92.4 -4.2 -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 -0.447 40.0-172.8 -72.5 140.0 -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 -0.951 20.1-134.3-123.0 147.2 -1.9 6.1 7.3 17 32 A S E -JK 27 54C 1 37,-2.1 37,-2.0 -2,-0.4 2,-0.6 -0.793 15.6-151.1 -88.8 145.3 0.5 8.4 5.7 18 33 A I E -JK 26 53C 0 8,-2.5 8,-2.5 -2,-0.4 7,-0.5 -0.934 13.6-168.6-118.9 101.6 4.2 7.6 6.2 19 34 A S E - K 0 52C 5 33,-2.8 33,-2.0 -2,-0.6 2,-0.4 -0.602 2.6-160.7 -81.4 153.4 6.3 10.7 6.1 20 35 A R E > S-JK 23 51C 58 3,-2.4 3,-2.2 -2,-0.2 31,-0.2 -0.994 74.6 -7.1-136.8 130.3 10.1 10.3 5.9 21 36 A N T 3 S- 0 0 132 29,-2.4 30,-0.1 -2,-0.4 -1,-0.1 0.827 129.7 -60.2 57.3 30.9 12.5 13.1 6.9 22 37 A G T 3 S+ 0 0 63 28,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.306 119.7 95.3 80.1 -6.3 9.4 15.4 7.2 23 38 A G E < S-J 20 0C 20 -3,-2.2 -3,-2.4 1,-0.2 -1,-0.3 -0.588 86.4 -72.0-114.7 173.1 8.4 14.9 3.6 24 39 A P E + 0 0 59 0, 0.0 -5,-0.2 0, 0.0 -1,-0.2 -0.301 61.5 139.5 -60.9 148.8 6.0 12.7 1.6 25 40 A W E - 0 0 81 -7,-0.5 155,-0.3 1,-0.4 153,-0.3 0.375 54.7 -19.5-151.3 -67.5 7.2 9.1 1.2 26 41 A a E -J 18 0C 8 -8,-2.5 -8,-2.5 153,-0.1 -1,-0.4 -0.829 46.9-125.1-140.7 178.9 4.7 6.2 1.5 27 42 A G E +J 17 0C 2 153,-2.7 12,-0.4 -2,-0.2 2,-0.3 -0.772 25.8 176.7-118.0 177.6 1.3 5.0 2.7 28 43 A G E -J 16 0C 0 -12,-1.9 -12,-2.5 -2,-0.3 2,-0.4 -0.954 26.6-109.1-165.4-177.4 0.3 2.2 5.0 29 44 A S E -JL 15 37C 3 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.992 23.6-129.4-132.0 127.5 -2.6 0.5 6.8 30 45 A L E + L 0 36C 0 -16,-3.2 73,-2.4 -2,-0.4 6,-0.2 -0.654 25.8 177.8 -78.3 116.0 -3.3 0.5 10.5 31 46 A L E - 0 0 19 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.741 65.6 -22.5 -89.1 -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 -0.907 92.6 -62.5-166.5-178.4 -4.4 -2.5 15.3 33 48 A A T 3 S+ 0 0 30 -2,-0.3 61,-2.5 1,-0.2 59,-0.1 0.744 131.4 21.3 -59.5 -25.4 -3.5 0.2 17.8 34 49 A N T 3 S+ 0 0 59 59,-0.2 56,-2.9 190,-0.2 2,-0.4 0.274 109.1 85.9-126.2 19.2 0.4 -0.2 17.5 35 50 A T E < -LM 32 89C 0 -3,-1.4 -4,-2.6 54,-0.2 -3,-1.1 -0.985 45.0-178.0-133.4 134.2 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 -0.963 15.8-148.0-121.0 138.5 1.0 -0.6 10.5 37 52 A L E +LM 29 87C 2 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.901 33.8 148.9 -99.7 129.7 1.3 -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 -0.796 51.9 -70.2-142.1-175.3 3.3 -1.1 4.5 39 54 A A >> - 0 0 0 -12,-0.4 3,-1.2 46,-0.3 4,-0.5 -0.656 37.5-131.7 -79.2 140.5 5.5 -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 0.879 105.7 61.3 -56.7 -38.8 9.0 -3.5 2.6 41 56 A H H 34 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.2 44,-0.0 0.756 94.9 63.3 -67.5 -19.9 10.7 -1.2 0.1 42 57 A a H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.747 124.2 11.6 -66.2 -27.2 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 0.588 84.6 127.2-127.3 -23.0 11.3 0.9 5.1 44 59 A S T 3< S- 0 0 52 -4,-3.0 3,-0.1 1,-0.3 29,-0.0 -0.258 92.1 -12.3 -59.6 123.4 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 0.354 102.8 124.2 75.0 -5.1 17.3 -0.7 5.8 46 61 A Y S < S- 0 0 88 -3,-1.7 2,-0.4 1,-0.1 -1,-0.2 -0.484 78.0 -84.4 -82.4 161.5 16.4 3.0 6.2 47 62 A A > - 0 0 68 1,-0.2 3,-1.7 -2,-0.2 4,-0.2 -0.469 38.2-147.9 -66.0 125.5 16.9 4.9 9.5 48 63 A Q G > S+ 0 0 79 -2,-0.4 3,-1.4 1,-0.3 21,-0.3 0.757 91.1 64.9 -68.5 -29.5 13.8 4.1 11.5 49 64 A S G 3 S+ 0 0 109 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.573 87.2 72.7 -68.5 -14.3 13.7 7.3 13.2 50 65 A G G < S+ 0 0 17 -3,-1.7 -29,-2.4 -30,-0.1 -28,-0.5 0.599 83.4 87.7 -75.1 -11.0 13.1 9.2 9.9 51 66 A F E < -K 20 0C 3 -3,-1.4 18,-0.5 -31,-0.2 2,-0.4 -0.694 50.5-176.5 -97.9 142.6 9.5 7.9 9.7 52 67 A Q E -K 19 0C 74 -33,-2.0 -33,-2.8 -2,-0.3 2,-0.3 -0.982 12.3-153.2-134.5 125.9 6.3 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 -0.731 8.4-169.1 -91.6 142.1 2.9 7.8 10.8 54 69 A R E -KN 17 66C 35 -37,-2.0 -37,-2.1 -2,-0.3 2,-0.3 -0.995 5.4-176.5-133.5 130.6 -0.3 9.8 10.8 55 70 A A E +KN 16 65C 1 10,-2.7 10,-2.3 -2,-0.4 -39,-0.2 -0.849 58.8 34.4-116.0 156.3 -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 0.660 93.4 97.4 80.7 17.9 -7.2 9.7 11.0 57 72 A S - 0 0 26 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.973 64.7-145.9-138.3 151.6 -6.6 12.5 8.4 58 73 A L S S+ 0 0 46 -2,-0.3 79,-2.2 -3,-0.1 2,-0.3 0.623 91.0 67.7 -83.2 -14.3 -7.0 13.1 4.8 59 74 A S B S-P 136 0D 9 3,-0.5 -42,-0.2 77,-0.2 77,-0.2 -0.730 72.8-144.7-102.7 154.4 -3.8 15.2 5.0 60 75 A R S S+ 0 0 47 75,-0.7 -41,-0.1 -2,-0.3 -1,-0.1 0.689 97.1 45.9 -79.7 -22.4 -0.2 14.0 5.6 61 76 A T S S+ 0 0 82 74,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.445 115.4 17.6-114.6 -1.0 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 -0.977 87.1 46.3-159.5 165.9 -2.0 17.8 10.0 63 78 A G S S+ 0 0 39 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 0.074 81.1 37.4 86.7 161.3 -5.0 16.2 11.7 64 79 A G S S- 0 0 44 -8,-0.4 2,-0.4 -10,-0.1 -8,-0.2 -0.202 97.0 -45.3 64.8-152.8 -5.5 12.9 13.3 65 80 A I E -N 55 0C 73 -10,-2.3 -10,-2.7 -3,-0.1 2,-0.2 -0.973 49.5-153.6-128.1 133.0 -2.9 11.1 15.5 66 81 A T E -N 54 0C 48 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.657 10.7-178.9-105.9 162.0 0.8 10.6 14.9 67 82 A S E -N 53 0C 2 -14,-2.2 -14,-3.0 -2,-0.2 2,-0.1 -0.966 19.1-140.0-153.3 147.3 3.4 8.1 15.9 68 83 A S - 0 0 62 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.353 41.8 -93.2 -84.0 177.3 7.0 7.3 15.5 69 84 A L E -O 90 0C 17 -18,-0.5 21,-0.3 -21,-0.3 3,-0.1 -0.786 27.6-175.6 -99.9 142.2 8.3 3.8 15.0 70 85 A S E S- 0 0 66 19,-3.0 2,-0.3 -2,-0.4 20,-0.2 0.738 75.1 -8.8 -93.6 -34.9 9.4 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 -0.989 52.5-145.7-161.0 162.4 10.5 -1.4 15.1 72 87 A V E -O 88 0C 33 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.999 13.8-177.9-133.4 132.5 10.4 -2.5 11.5 73 88 A R E -O 87 0C 122 14,-2.3 14,-2.8 -2,-0.4 2,-0.2 -0.971 10.4-157.9-134.9 117.8 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 -0.543 41.8 -80.2 -86.8 159.9 10.2 -7.1 6.6 75 90 A H > - 0 0 24 10,-2.3 3,-2.1 8,-0.4 -1,-0.1 -0.318 40.5-124.4 -55.2 138.9 8.8 -10.3 5.3 76 91 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.675 111.4 44.7 -65.6 -14.7 11.3 -13.1 5.8 77 92 A S T 3 S+ 0 0 71 6,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.158 78.8 141.4-111.7 17.1 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 -0.376 18.2 154.4 -57.4 130.2 11.5 -10.3 0.8 79 94 A S B > -Q 82 0E 86 3,-2.0 3,-2.4 -2,-0.1 2,-0.1 -0.875 62.2 -35.4-162.1 124.4 13.8 -10.2 -2.2 80 95 A G T 3 S- 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 -39,-0.0 -0.424 126.7 -26.6 57.3-130.6 13.7 -7.7 -5.0 81 96 A N T > S+ 0 0 72 -2,-0.1 3,-0.6 -3,-0.1 -1,-0.3 0.485 114.6 111.2 -86.6 -6.1 10.1 -6.8 -5.5 82 97 A N B < S+Q 79 0E 40 -3,-2.4 -3,-2.0 1,-0.2 3,-0.1 -0.531 83.5 4.8 -81.3 136.9 8.9 -10.2 -4.2 83 98 A N T 3 S- 0 0 10 -2,-0.3 2,-2.0 -5,-0.2 -8,-0.4 0.922 78.5-177.2 62.9 49.1 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 -0.390 34.1 112.5 -86.4 64.4 7.1 -6.6 -0.5 85 100 A L - 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