==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-02 1MBQ . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ONCORHYNCHUS KETA; . AUTHOR E.TOYOTA,K.K.S.NG,S.KUNINAGA,H.SEKIZAKI,K.ITOH,K.TANIZAWA, . 220 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 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 . 69 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 2 0 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 1 5 2 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 2 0, 0.0 2,-0.4 0, 0.0 170,-0.2 0.000 360.0 360.0 360.0 126.4 25.7 2.9 17.7 2 17 A V B +A 170 0A 16 168,-3.3 168,-1.8 1,-0.2 123,-0.1 -0.904 360.0 2.7-110.2 131.4 29.4 2.6 18.6 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 168,-0.1 0.679 101.9 112.8 73.9 19.6 31.4 -0.6 18.4 4 19 A G - 0 0 30 -3,-0.2 2,-0.3 166,-0.1 133,-0.2 -0.033 62.3-109.3-102.0-153.1 28.6 -2.6 16.9 5 20 A Y E -B 136 0B 118 131,-2.4 131,-3.6 -3,-0.1 2,-0.2 -0.934 39.6 -84.8-138.8 159.9 28.0 -4.3 13.5 6 21 A E E -B 135 0B 85 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.489 48.7-120.6 -69.0 132.0 25.6 -3.6 10.6 7 22 A a - 0 0 2 127,-2.5 2,-0.2 -2,-0.2 3,-0.1 -0.401 31.4-101.1 -68.4 151.0 22.2 -5.2 11.3 8 23 A K > - 0 0 166 1,-0.1 3,-2.2 -2,-0.1 4,-0.3 -0.558 58.4 -85.4 -70.0 137.5 21.1 -7.7 8.7 9 24 A A T 3 S- 0 0 53 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 -0.218 109.8 -1.1 -51.2 124.8 18.6 -5.8 6.5 10 25 A Y T 3 S+ 0 0 64 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.653 90.7 125.2 68.7 19.9 15.1 -5.9 8.1 11 26 A S S < S+ 0 0 54 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.587 77.4 45.6 -82.7 -9.6 16.2 -8.0 11.0 12 27 A Q S > S+ 0 0 36 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.586 71.6 169.0-128.9 65.2 14.7 -5.3 13.4 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.561 72.0 61.4 -57.3 -11.9 11.4 -4.7 11.7 14 29 A H T 3 S+ 0 0 14 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.593 79.2 109.0 -90.3 -14.3 10.0 -2.7 14.6 15 30 A Q E < -J 28 0C 5 -3,-2.2 36,-0.5 13,-0.2 37,-0.4 -0.461 48.0-178.0 -67.9 127.4 12.8 -0.1 14.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.2 2,-0.5 -0.863 22.2-134.6-125.3 160.3 11.5 3.2 12.9 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.963 13.2-144.0-115.0 127.5 13.2 6.5 12.0 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.5 7,-1.0 -0.840 26.4-164.7 -91.1 123.3 11.6 9.8 13.2 19 34 A N E +JK 23 47C 18 28,-3.0 28,-2.1 -2,-0.6 4,-0.2 -0.927 32.1 161.8-119.6 135.3 12.1 12.3 10.5 20 37 A S S S- 0 0 66 2,-2.0 2,-1.1 -2,-0.4 -2,-0.0 -0.660 95.5 -44.1-144.0 75.1 11.9 16.1 10.5 21 38 A G S S+ 0 0 60 -2,-0.1 2,-0.3 26,-0.0 -2,-0.1 -0.366 140.4 20.3 91.3 -53.2 13.8 17.0 7.3 22 39 A Y S S- 0 0 194 -2,-1.1 -2,-2.0 -4,-0.1 2,-0.1 -0.914 103.5 -77.9-139.7 163.6 16.4 14.5 8.5 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.432 53.1 159.1 -61.8 133.6 16.6 11.5 10.8 24 41 A F E + 0 0 50 -6,-2.2 2,-0.3 1,-0.5 150,-0.3 0.509 58.4 10.0-134.7 -13.2 16.8 12.8 14.4 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 150,-0.1 -1,-0.5 -0.977 63.8-126.9-162.6 156.3 15.6 10.0 16.7 26 43 A G E +J 17 0C 1 150,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.354 26.7 178.4 -97.2-177.3 14.7 6.3 16.6 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 10,-0.1 2,-0.4 -0.965 23.2-116.7-171.9 173.1 11.5 4.6 17.8 28 45 A S E -JL 15 36C 1 8,-2.5 8,-3.1 -2,-0.3 2,-0.5 -0.990 17.1-133.9-132.5 129.3 9.7 1.3 18.0 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.6 -2,-0.4 6,-0.2 -0.670 24.9 174.1 -78.6 124.8 6.5 0.1 16.4 30 47 A V - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 75,-0.2 0.538 67.8 -12.6-107.9 -11.2 4.3 -1.6 19.1 31 48 A N S S- 0 0 29 3,-1.1 -1,-0.3 73,-0.1 3,-0.3 -0.944 87.4 -76.8-171.7 175.3 1.2 -2.1 16.9 32 49 A E S S+ 0 0 81 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.711 127.9 32.9 -61.4 -19.2 -0.2 -0.9 13.6 33 50 A N S S+ 0 0 54 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.603 110.2 63.4-112.9 -14.5 -1.2 2.5 15.0 34 51 A W E - M 0 89C 12 -3,-0.3 -4,-2.2 55,-0.2 -3,-1.1 -0.912 47.6-170.2-126.0 147.4 1.4 3.3 17.7 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.7 -2,-0.4 2,-0.4 -0.972 15.7-145.2-126.6 138.4 5.1 4.0 18.0 36 53 A V E +LM 28 87C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.2 -0.884 32.6 146.5-105.6 135.8 7.1 4.3 21.2 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.5 -2,-0.4 2,-0.4 -0.771 49.7 -67.4-147.9-169.0 10.1 6.8 21.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.752 34.3-133.1 -94.0 139.9 11.9 9.1 24.0 39 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.797 104.4 63.4 -60.8 -30.5 10.1 12.2 25.3 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.610 93.6 64.5 -72.7 -5.5 13.1 14.4 24.7 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.438 80.9 142.8 -90.7 -1.8 12.6 13.7 21.0 42 59 A Y < + 0 0 95 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.1 0.023 18.4 160.3 -46.4 142.3 9.2 15.4 21.1 43 60 A K - 0 0 78 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.937 49.1-116.8-158.5 143.4 7.8 17.6 18.3 44 61 A S S S+ 0 0 92 -2,-0.3 2,-0.3 1,-0.2 26,-0.2 0.855 103.3 13.3 -54.9 -35.2 4.2 18.6 17.7 45 62 A R S S+ 0 0 195 24,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.997 71.3 171.3-143.4 144.4 4.3 16.6 14.4 46 63 A V - 0 0 10 -2,-0.3 21,-2.3 -3,-0.1 2,-0.6 -0.975 31.0-121.4-148.8 158.5 6.8 14.1 13.0 47 64 A E E -KN 19 66C 62 -28,-2.1 -28,-3.0 -2,-0.3 2,-0.5 -0.926 24.5-148.4-106.2 123.3 7.1 11.7 10.0 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.9 -2,-0.6 2,-0.6 -0.805 8.5-160.2 -92.7 126.8 7.6 8.1 11.0 49 66 A R E -KN 17 64C 52 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.933 13.7-178.9-113.0 113.9 9.6 6.1 8.5 50 67 A L E + N 0 63C 0 13,-2.7 13,-2.0 -2,-0.6 -34,-0.1 -0.706 57.1 36.7-108.8 160.2 9.2 2.3 8.7 51 69 A G S S+ 0 0 3 -36,-0.5 2,-0.3 48,-0.4 10,-0.2 0.780 83.1 149.8 72.0 29.1 10.8 -0.5 6.7 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.650 24.8 151.7 -98.5 149.2 14.1 1.2 6.6 53 71 A H S S+ 0 0 13 1,-0.3 81,-1.8 -2,-0.3 2,-0.7 0.422 84.3 31.2-130.7 -59.8 17.7 -0.1 6.4 54 72 A N B > S-P 133 0D 27 3,-0.3 3,-1.2 79,-0.2 -1,-0.3 -0.913 72.2-161.9-103.4 108.5 19.6 2.6 4.6 55 73 A I T 3 S+ 0 0 34 77,-2.1 -1,-0.1 -2,-0.7 78,-0.1 0.533 86.4 52.0 -70.9 -4.5 17.9 5.9 5.4 56 74 A K T 3 S+ 0 0 152 76,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.478 104.1 61.1-108.5 -4.7 19.4 7.7 2.5 57 75 A V S < S- 0 0 80 -3,-1.2 2,-0.5 75,-0.2 -3,-0.3 -0.979 81.1-122.6-127.7 134.9 18.4 5.3 -0.3 58 76 A T + 0 0 121 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.627 30.3 174.4 -75.3 120.2 14.9 4.2 -1.4 59 77 A E - 0 0 64 -2,-0.5 -1,-0.2 -8,-0.1 -4,-0.0 0.519 47.7-115.2-103.5 -9.6 14.8 0.4 -1.0 60 78 A G S S+ 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.380 100.5 86.9 90.2 -2.8 11.2 -0.0 -1.9 61 79 A S + 0 0 7 -10,-0.2 38,-0.1 38,-0.0 -9,-0.1 0.481 62.9 112.8-104.8 -6.9 10.3 -1.3 1.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.324 43.9-167.8 -74.3 149.3 9.7 2.0 3.2 63 81 A Q E -N 50 0C 36 -13,-2.0 -13,-2.7 -2,-0.1 2,-0.7 -0.982 8.1-159.9-133.9 116.7 6.4 3.4 4.5 64 82 A F E +N 49 0C 96 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.904 17.7 173.5-103.5 116.1 6.4 7.1 5.4 65 83 A I E -N 48 0C 16 -17,-2.9 -17,-3.4 -2,-0.7 2,-0.2 -0.983 24.0-135.8-128.3 130.2 3.5 8.0 7.7 66 84 A S E -N 47 0C 63 -2,-0.4 25,-2.5 -19,-0.2 26,-0.4 -0.482 28.6-109.7 -80.6 151.2 2.8 11.3 9.4 67 85 A S E -O 90 0C 16 -21,-2.3 23,-0.2 23,-0.2 3,-0.1 -0.434 22.0-170.7 -79.0 154.0 1.8 11.5 13.1 68 86 A S E S+ 0 0 62 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.581 78.3 15.2-113.1 -25.4 -1.7 12.4 14.2 69 87 A R E -O 89 0C 145 20,-1.2 20,-3.3 2,-0.0 2,-0.5 -0.985 57.8-165.1-152.2 138.9 -0.9 12.7 17.9 70 88 A V E -O 88 0C 22 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.981 14.5-172.7-128.0 117.3 2.3 12.9 19.9 71 89 A I E -O 87 0C 37 16,-3.5 16,-2.9 -2,-0.5 2,-0.2 -0.930 8.3-159.4-120.9 114.1 2.0 12.2 23.6 72 90 A R E -O 86 0C 91 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.535 41.9 -90.7 -82.1 152.1 4.8 12.7 26.2 73 91 A H > - 0 0 21 12,-1.9 3,-2.1 10,-0.3 -1,-0.1 -0.417 37.8-123.3 -61.5 136.6 4.6 10.9 29.5 74 92 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.739 109.9 46.9 -55.1 -25.0 2.8 13.3 31.9 75 93 A N T 3 S+ 0 0 107 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.195 78.5 136.4-104.8 16.0 5.7 13.2 34.3 76 94 A Y < - 0 0 38 -3,-2.1 2,-0.4 9,-0.1 7,-0.2 -0.398 36.5-162.4 -62.4 137.7 8.5 13.7 31.8 77 95 A S B >>> -Q 82 0E 30 5,-1.7 4,-2.0 1,-0.1 5,-0.7 -0.978 20.6-163.2-129.7 120.4 11.0 16.2 33.1 78 96 A S T 345S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.606 87.6 72.5 -74.5 -10.7 13.5 18.0 30.9 79 97 A Y T 345S+ 0 0 220 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.871 124.6 0.0 -70.7 -38.3 15.5 18.9 34.0 80 98 A N T <45S- 0 0 76 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.342 95.3-113.4-133.6 3.9 16.8 15.3 34.5 81 99 A I T ><5 + 0 0 36 -4,-2.0 3,-0.7 1,-0.2 -3,-0.2 0.782 56.4 166.4 65.7 28.1 15.2 13.3 31.6 82 100 A D B 3 < +Q 77 0E 29 -5,-0.7 -5,-1.7 1,-0.2 -1,-0.2 -0.493 63.9 14.1 -74.3 146.3 13.1 11.4 34.1 83 101 A N T 3 S- 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.925 80.0-179.2 53.3 50.6 10.2 9.3 32.5 84 102 A D < + 0 0 2 -3,-0.7 2,-0.3 74,-0.2 122,-0.2 -0.442 34.9 114.8 -82.3 66.8 11.8 9.8 29.1 85 103 A I + 0 0 0 -2,-2.0 -12,-1.9 -47,-0.3 2,-0.3 -0.988 37.4 179.1-138.2 147.8 9.1 7.9 27.1 86 104 A M E -MO 37 72C 1 -49,-2.5 -49,-2.6 -2,-0.3 2,-0.4 -0.990 18.8-139.0-149.8 151.3 6.6 9.1 24.5 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-3.5 -2,-0.3 2,-0.5 -0.938 11.9-164.7-115.9 137.5 3.8 7.7 22.3 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.3 -2,-0.4 2,-0.5 -0.982 9.4-150.1-121.9 125.0 3.2 8.7 18.7 89 107 A K E -MO 34 69C 74 -20,-3.3 -21,-2.9 -2,-0.5 -20,-1.2 -0.820 17.6-129.1 -97.2 133.4 -0.0 7.8 16.9 90 108 A L E - 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