==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-01 1K1N . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 71 31.8 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 0.4 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 . 1 0.4 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 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 2 2 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 3,-0.4 0.000 360.0 360.0 360.0 125.9 -8.1 8.8 19.0 2 17 A V B +A 171 0A 8 169,-3.4 169,-1.9 1,-0.2 123,-0.1 -0.854 360.0 4.2-102.1 131.9 -10.2 9.6 15.9 3 18 A G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.791 101.9 124.0 68.7 29.4 -11.9 6.7 14.1 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.202 54.8-116.3-104.2-162.2 -10.8 4.1 16.6 5 20 A Y E -B 137 0B 119 132,-2.5 132,-3.3 -2,-0.1 2,-0.5 -0.902 37.1 -86.1-135.3 161.4 -12.6 1.5 18.8 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.606 35.2-150.9 -70.9 119.1 -13.0 0.9 22.5 7 22 A a - 0 0 17 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.922 35.9-117.7 -55.6 -53.0 -9.9 -1.1 23.6 8 23 A G > - 0 0 24 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.109 45.7 -52.4 117.4 143.0 -11.6 -2.8 26.4 9 24 A A T 3 S- 0 0 47 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.233 119.1 -14.8 -52.6 120.4 -10.7 -2.6 30.1 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.695 90.7 127.6 59.0 27.1 -7.0 -3.3 30.7 11 26 A T S < S+ 0 0 86 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.557 76.3 50.0 -84.9 -10.2 -6.4 -4.9 27.2 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.635 74.4 175.3-125.5 70.9 -3.4 -2.4 26.8 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-0.8 0, 0.0 38,-0.3 0.594 72.3 56.6 -54.0 -20.9 -1.7 -3.1 30.2 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.442 80.2 109.7 -93.8 -3.5 1.4 -0.8 29.4 15 30 A Q E < -J 28 0C 6 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.610 48.5-173.4 -76.9 127.6 -0.7 2.3 28.8 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.0 -2,-0.4 2,-0.5 -0.836 18.9-138.1-119.7 158.9 -0.4 4.9 31.5 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.6 -2,-0.3 2,-0.7 -0.970 13.4-142.8-115.5 127.7 -2.2 8.2 32.1 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.5 -2,-0.5 7,-1.1 -0.866 26.0-169.6 -91.1 120.4 -0.1 11.2 33.2 19 34 A N E +JK 23 47C 21 28,-2.8 28,-2.8 -2,-0.7 4,-0.2 -0.912 30.3 166.5-118.0 136.4 -2.3 13.1 35.7 20 37 A S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.280 97.1 -46.8-136.1 43.5 -1.7 16.6 37.2 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.087 140.8 27.2 108.1 -16.6 -5.2 17.0 38.6 22 39 A Y S S- 0 0 135 -4,-0.1 -2,-2.2 0, 0.0 2,-0.4 -0.942 102.8 -81.4-163.9 160.4 -6.5 15.8 35.3 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.620 51.1 158.3 -73.3 125.3 -5.3 13.6 32.5 24 41 A F E + 0 0 31 -6,-2.5 2,-0.3 -2,-0.4 151,-0.2 0.601 60.1 7.2-122.0 -19.8 -3.0 15.6 30.2 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.3 151,-0.1 -1,-0.4 -0.979 60.3-127.4-158.3 163.0 -0.9 12.9 28.4 26 43 A G E +J 17 0C 0 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.419 27.6 174.9-102.3-176.4 -0.4 9.2 27.9 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.5 -2,-0.2 2,-0.4 -0.958 26.2-110.6-176.5 172.8 2.7 7.2 28.3 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.7 -2,-0.3 2,-0.6 -0.988 19.3-132.9-127.2 132.8 4.1 3.6 28.2 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.7 -2,-0.4 6,-0.2 -0.715 26.3 173.5 -82.8 117.4 5.4 1.5 31.1 30 47 A I E - 0 0 17 4,-1.9 2,-0.3 -2,-0.6 75,-0.2 0.615 68.2 -8.0 -99.0 -18.3 8.7 0.0 30.1 31 48 A N E > S- L 0 34C 45 3,-1.2 3,-1.4 70,-0.1 -1,-0.3 -0.944 90.8 -76.3-165.8 166.6 9.6 -1.5 33.5 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.638 127.8 24.1 -47.4 -20.3 8.3 -1.5 37.0 33 50 A Q T 3 S+ 0 0 54 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.366 109.3 74.4-131.9 7.9 9.6 2.0 37.8 34 51 A W E < -LM 31 89C 8 -3,-1.4 -4,-1.9 55,-0.2 -3,-1.2 -0.978 48.3-171.9-131.0 138.7 10.1 3.8 34.5 35 52 A V E -LM 29 88C 0 53,-2.7 53,-3.1 -2,-0.4 2,-0.4 -0.950 11.7-150.2-124.2 139.2 7.6 5.4 32.1 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.916 29.9 147.5-110.7 138.6 8.4 6.8 28.6 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.3 -0.792 50.9 -64.5-148.5-168.5 6.3 9.6 27.2 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.716 34.8-132.4 -90.7 140.8 6.7 12.7 24.9 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.824 107.4 66.4 -60.1 -29.2 9.0 15.5 26.0 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.1 0.541 92.0 63.2 -71.0 -2.9 6.2 17.9 25.1 41 58 A b G < S+ 0 0 3 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.387 75.4 134.3 -96.2 -1.2 4.3 16.3 27.9 42 59 A Y < + 0 0 138 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.264 22.0 142.0 -54.8 134.0 6.9 17.6 30.4 43 60 A K - 0 0 57 3,-0.0 3,-0.3 0, 0.0 2,-0.3 -0.957 47.6-107.6-165.7 158.1 5.3 19.2 33.5 44 61 A S S S+ 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.686 95.0 35.0 -95.0 152.3 6.0 19.3 37.3 45 62 A G S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.949 77.0 172.6 72.9 49.7 3.9 17.4 39.8 46 63 A I - 0 0 10 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.769 18.3-165.4 -95.8 129.7 3.1 14.4 37.6 47 64 A Q E -KN 19 66C 50 -28,-2.8 -28,-2.8 -2,-0.4 2,-0.5 -0.978 16.4-139.9-113.3 127.1 1.3 11.5 39.1 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.9 -2,-0.5 2,-0.6 -0.756 13.1-158.7 -89.6 128.0 1.4 8.3 37.0 49 66 A R E -KN 17 64C 52 -32,-2.6 -32,-2.2 -2,-0.5 3,-0.3 -0.946 12.5-177.5-112.7 116.7 -1.8 6.3 36.8 50 67 A L E + N 0 63C 3 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.716 60.4 33.1-108.7 161.7 -1.6 2.6 35.8 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.723 84.3 156.6 67.5 23.6 -4.3 0.0 35.3 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.537 21.7 147.5 -88.3 143.6 -6.7 2.6 34.0 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.276 80.8 30.0-127.2 -83.7 -9.7 2.2 31.8 54 72 A N S > S- 0 0 30 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.694 72.5-161.6 -81.1 113.3 -12.3 4.8 32.7 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.7 79,-0.1 0.558 86.6 52.3 -74.5 -5.9 -10.1 7.7 34.0 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.460 105.8 58.2-106.4 -3.7 -13.1 9.3 35.8 57 75 A V S < S- 0 0 75 -3,-0.8 2,-0.8 76,-0.2 -4,-0.3 -0.988 78.1-129.0-130.4 135.0 -14.1 6.2 37.8 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.750 32.8 171.2 -81.3 110.9 -12.2 4.0 40.3 59 77 A E - 0 0 93 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.485 51.0-102.2-101.3 -6.9 -12.7 0.5 38.9 60 78 A G S S+ 0 0 60 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.437 101.1 80.8 105.9 -3.4 -10.3 -1.4 41.1 61 79 A N + 0 0 60 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.295 65.8 118.5-118.6 12.4 -7.2 -2.1 39.0 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.393 41.5-167.7 -83.5 155.9 -5.4 1.2 39.3 63 81 A Q E -N 50 0C 43 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.6 -0.982 8.6-162.1-140.2 113.1 -2.1 2.1 40.8 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 18.5 170.4-101.6 118.5 -1.4 5.8 41.4 65 83 A I E -N 48 0C 14 -17,-2.9 -17,-3.1 -2,-0.6 2,-0.1 -0.997 27.8-130.2-133.7 129.4 2.3 6.5 41.8 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.423 27.4-112.3 -75.4 152.3 4.0 9.9 41.9 67 85 A A E -O 90 0C 18 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.657 22.1-169.0 -84.0 140.4 7.0 10.6 39.7 68 86 A S E S+ 0 0 63 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.724 73.7 8.8 -97.8 -29.4 10.3 11.1 41.5 69 87 A K E -O 89 0C 85 20,-1.2 20,-3.1 2,-0.0 2,-0.4 -0.992 57.9-158.4-155.0 143.8 12.2 12.4 38.5 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.974 8.7-168.2-123.6 135.3 11.6 13.4 34.9 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.8 -2,-0.4 2,-0.3 -0.936 4.9-160.4-130.9 107.8 14.3 13.4 32.3 72 90 A V E -O 86 0C 42 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.669 42.9 -87.4 -84.5 140.0 13.6 15.1 28.9 73 91 A H > - 0 0 22 12,-2.2 3,-1.8 -2,-0.3 -1,-0.1 -0.167 36.4-123.1 -45.3 136.8 15.9 14.0 26.1 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 109.1 41.5 -57.7 -26.7 19.1 16.2 26.1 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.059 78.6 147.0-110.7 26.2 18.5 17.3 22.5 76 94 A Y < - 0 0 58 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.438 30.7-161.8 -65.6 127.2 14.8 17.9 22.6 77 95 A N B >> -P 82 0D 65 5,-2.5 4,-2.4 -2,-0.2 5,-0.6 -0.907 6.8-165.0-113.9 106.9 13.8 20.8 20.3 78 96 A S T 45S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.627 86.3 53.5 -66.6 -14.4 10.3 22.2 21.2 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.854 123.1 24.4 -87.6 -38.9 10.0 24.1 17.9 80 98 A T T 45S- 0 0 70 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.568 97.4-131.8 -99.1 -14.6 10.7 21.2 15.5 81 99 A L T ><5 + 0 0 35 -4,-2.4 3,-0.9 1,-0.3 2,-0.2 0.639 50.7 156.7 69.5 16.6 9.6 18.5 18.0 82 100 A N B 3 < +P 77 0D 33 -5,-0.6 -5,-2.5 1,-0.3 -1,-0.3 -0.546 65.1 17.0 -74.8 137.6 12.8 16.6 17.1 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.838 79.6 174.9 67.4 38.4 13.8 14.2 19.9 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.486 33.1 113.2 -77.3 76.1 10.3 14.3 21.5 85 103 A I - 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