==== 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/HYDROLASE INHIBITOR 16-DEC-98 1SFI . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.LUCKETT,R.S.GARCIA,J.J.BARKER,A.V.KONAREV,P.SHEWRY,A.R.CLA . 237 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 32.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.3 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 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 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 1 4 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 0 0 1 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,-0.3 0.000 360.0 360.0 360.0 125.1 11.6 26.8 7.3 2 17 A V B +A 171 0A 10 169,-3.0 169,-1.8 1,-0.2 123,-0.1 -0.871 360.0 7.2-103.3 130.1 8.0 26.8 6.0 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.674 102.1 116.4 78.5 15.7 7.0 24.8 2.9 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.001 57.7-114.6-100.4-156.3 10.4 23.1 2.6 5 20 A Y E -B 137 0B 102 132,-2.3 132,-2.8 -3,-0.1 2,-0.4 -0.938 35.7 -82.5-139.2 159.9 11.6 19.5 2.8 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.514 37.4-150.7 -64.1 122.6 13.7 17.3 5.1 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.939 34.9-115.3 -62.9 -45.4 17.3 17.8 3.9 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.066 48.8 -55.2 109.4 142.1 18.6 14.4 4.8 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.168 118.2 -10.8 -58.8 129.9 21.3 13.9 7.5 10 25 A N T 3 S+ 0 0 29 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.633 91.0 127.6 57.4 25.0 24.5 15.8 7.0 11 26 A T S < S+ 0 0 82 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.562 76.4 46.4 -80.1 -9.6 23.5 16.8 3.4 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.680 76.3 175.7-129.1 77.6 24.2 20.5 4.3 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.602 71.9 56.8 -71.5 -15.1 27.6 20.0 6.1 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.7 88,-0.1 2,-0.3 0.472 81.4 109.4 -91.3 -8.4 28.3 23.7 6.7 15 30 A Q E < -L 28 0C 5 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.586 47.8-175.5 -73.0 130.3 25.0 24.2 8.7 16 31 A V E -L 27 0C 1 11,-2.5 11,-1.2 -2,-0.3 2,-0.4 -0.851 20.6-135.5-122.1 160.5 25.5 24.8 12.4 17 32 A S E -LM 26 49C 2 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.938 14.1-143.6-107.3 135.9 23.1 25.2 15.4 18 33 A L E -LM 25 48C 0 7,-2.9 6,-2.4 -2,-0.4 7,-1.0 -0.888 25.8-169.6-101.1 125.1 23.8 28.0 18.0 19 34 A N E +LM 23 47C 18 28,-2.6 28,-2.0 -2,-0.5 4,-0.2 -0.954 32.1 167.1-126.5 133.2 22.8 26.7 21.4 20 37 A S S S- 0 0 36 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.356 96.8 -49.6-132.9 47.5 22.4 28.4 24.9 21 38 A G S S+ 0 0 74 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.501 140.5 34.8 90.4 6.6 20.6 25.5 26.6 22 39 A Y S S- 0 0 109 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.889 99.9 -89.0-176.0 154.4 18.3 25.5 23.6 23 40 A H E +L 19 0C 23 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.617 50.3 156.3 -75.2 132.0 18.6 26.1 19.8 24 41 A F E + 0 0 5 -6,-2.4 207,-2.0 1,-0.4 2,-0.3 0.582 58.4 3.1-131.8 -18.1 18.1 29.8 19.0 25 42 A b E -L 18 0C 0 -7,-1.0 -7,-2.9 205,-0.2 -1,-0.4 -0.979 61.3-126.1-160.7 163.0 19.8 30.6 15.7 26 43 A G E -L 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.448 22.9-177.7-103.2-175.9 21.7 28.9 12.8 27 44 A G E -L 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.1 2,-0.4 -0.960 22.9-115.2-168.1 177.5 25.1 29.7 11.3 28 45 A S E -LN 15 36C 1 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.983 21.0-130.5-133.1 129.9 27.5 28.6 8.5 29 46 A L E + N 0 35C 0 -15,-2.7 74,-2.0 -2,-0.4 6,-0.2 -0.646 27.5 172.1 -79.3 121.5 31.0 27.1 8.9 30 47 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.485 68.0 -7.2-110.1 -9.9 33.5 29.0 6.7 31 48 A N E > S- N 0 34C 51 3,-1.2 3,-1.0 70,-0.1 -1,-0.3 -0.944 89.4 -79.5-163.8 179.7 36.7 27.4 7.9 32 49 A S T 3 S+ 0 0 35 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.699 127.9 28.4 -67.0 -15.4 37.7 25.0 10.7 33 50 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.366 111.0 69.1-119.7 -0.9 37.6 27.7 13.4 34 51 A W E < -NO 31 89C 6 -3,-1.0 -4,-2.5 55,-0.2 -3,-1.2 -0.987 48.7-171.0-133.4 141.6 35.1 30.3 12.1 35 52 A V E -NO 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.5 -0.950 15.6-142.6-125.5 141.3 31.3 30.6 11.7 36 53 A V E +NO 28 87C 1 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.887 35.8 147.0-102.5 131.6 29.2 33.3 10.0 37 54 A S E - O 0 86C 0 49,-2.6 49,-2.1 -2,-0.5 2,-0.3 -0.742 49.5 -71.5-142.3-166.1 25.8 34.2 11.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.743 30.7-131.0 -98.8 142.8 23.5 37.2 12.1 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.829 106.6 63.8 -59.9 -33.2 24.4 40.1 14.4 40 57 A H G 3 S+ 0 0 15 1,-0.3 -1,-0.3 41,-0.1 188,-0.0 0.627 93.9 64.2 -70.4 -7.1 20.9 39.9 16.0 41 58 A b G < S+ 0 0 3 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.462 76.8 128.2 -87.4 -3.3 21.8 36.4 17.2 42 59 A Y < + 0 0 119 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.281 22.9 134.5 -57.5 140.2 24.6 37.8 19.4 43 60 A K - 0 0 53 -2,-0.0 3,-0.4 0, 0.0 2,-0.1 -0.947 53.6 -95.3-168.4 163.0 24.7 36.7 23.1 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.392 99.7 35.4 -77.3 161.1 27.2 35.5 25.7 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.832 72.8 170.0 72.4 30.3 27.6 31.8 26.3 46 63 A I - 0 0 6 -3,-0.4 21,-2.6 -26,-0.1 2,-0.5 -0.648 17.9-163.1 -78.6 135.6 27.1 30.4 22.7 47 64 A Q E -MP 19 66C 51 -28,-2.0 -28,-2.6 -2,-0.4 2,-0.4 -0.979 14.1-142.8-107.1 124.4 27.9 26.7 22.1 48 65 A V E -MP 18 65C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.6 -0.807 10.2-158.4 -91.9 133.1 28.2 25.9 18.4 49 66 A R E -MP 17 64C 50 -32,-2.8 -32,-2.3 -2,-0.4 3,-0.3 -0.944 13.9-176.3-116.4 109.1 26.8 22.4 17.4 50 67 A L E + P 0 63C 1 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.633 60.5 30.2 -99.9 160.2 28.3 21.1 14.2 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.2 -38,-0.3 10,-0.2 0.705 83.8 154.4 69.4 17.5 27.4 17.9 12.3 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.557 21.6 153.1 -82.4 145.4 23.8 17.9 13.5 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 -1,-0.1 0.362 81.8 29.8-123.3 -77.6 20.7 16.4 11.9 54 72 A N S > S- 0 0 24 80,-0.2 3,-1.3 1,-0.2 -1,-0.4 -0.702 73.3-161.9 -79.9 109.7 18.2 15.7 14.7 55 73 A I T 3 S+ 0 0 27 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.584 85.8 53.4 -73.0 -3.7 19.1 18.4 17.3 56 74 A N T 3 S+ 0 0 113 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.277 104.4 56.5-108.6 1.8 17.2 16.5 20.1 57 75 A V S < S- 0 0 76 -3,-1.3 2,-0.9 76,-0.2 -4,-0.2 -0.999 79.6-126.2-133.3 136.7 19.0 13.1 19.7 58 76 A V + 0 0 121 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.776 39.6 166.5 -81.8 108.4 22.8 12.4 19.9 59 77 A E - 0 0 103 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.648 52.3 -93.9-102.8 -20.0 23.3 10.5 16.6 60 78 A G S S+ 0 0 57 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.471 104.8 74.6 118.7 2.8 27.0 10.3 16.0 61 79 A N + 0 0 49 -10,-0.2 2,-0.1 -11,-0.1 -9,-0.1 0.375 67.1 123.8-122.6 8.1 28.2 13.2 13.9 62 80 A E - 0 0 39 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.331 34.9-177.1 -72.6 141.2 28.0 15.9 16.4 63 81 A Q E -P 50 0C 46 -13,-1.8 -13,-3.0 -2,-0.1 2,-0.6 -0.973 10.5-163.2-128.4 117.6 30.9 18.2 17.5 64 82 A F E +P 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.934 16.7 171.1-102.8 116.2 29.9 20.7 20.3 65 83 A I E -P 48 0C 14 -17,-2.6 -17,-3.0 -2,-0.6 -2,-0.0 -0.991 29.9-124.3-130.7 128.8 32.5 23.5 20.6 66 84 A S E -P 47 0C 60 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.337 29.3-112.3 -66.1 146.3 32.2 26.7 22.7 67 85 A A E -Q 90 0C 23 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.637 28.7-174.9 -73.3 136.5 32.4 30.1 21.0 68 86 A S E S+ 0 0 65 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.614 75.3 21.1 -99.3 -26.8 35.6 31.8 22.1 69 87 A K E -Q 89 0C 78 20,-1.3 20,-2.5 2,-0.0 2,-0.4 -0.981 60.0-171.3-140.8 132.4 34.9 35.1 20.3 70 88 A S E -Q 88 0C 33 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.931 16.9-170.1-130.1 107.1 31.5 36.4 19.1 71 89 A I E -Q 87 0C 41 16,-3.6 16,-2.2 -2,-0.4 2,-0.2 -0.850 7.8-162.3-113.1 107.5 32.1 39.5 16.9 72 90 A V E -Q 86 0C 44 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.529 38.6 -95.1 -81.8 144.8 29.2 41.7 15.7 73 91 A H > - 0 0 25 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.368 31.8-127.4 -58.4 137.1 29.9 44.1 12.8 74 92 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.738 107.6 47.3 -58.8 -25.8 30.8 47.5 14.2 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.248 76.4 138.4-103.3 15.7 28.1 49.2 12.1 76 94 A Y < - 0 0 53 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.341 39.5-156.1 -59.0 127.4 25.2 46.8 12.9 77 95 A N > - 0 0 68 5,-2.1 4,-2.1 1,-0.1 5,-0.3 -0.939 6.1-158.6-109.2 115.1 22.1 48.8 13.4 78 96 A S T 4 S+ 0 0 70 -2,-0.6 -1,-0.1 2,-0.2 -2,-0.0 0.631 88.8 46.9 -73.5 -9.6 19.5 47.0 15.6 79 97 A N T 4 S+ 0 0 109 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.875 124.0 28.5 -96.1 -43.5 16.5 49.0 14.4 80 98 A T T 4 S- 0 0 58 2,-0.1 -2,-0.2 1,-0.0 77,-0.1 0.692 96.0-134.9 -86.2 -17.5 17.1 48.9 10.6 81 99 A L >< + 0 0 2 -4,-2.1 3,-0.8 1,-0.2 -3,-0.1 0.599 47.8 157.5 69.1 17.2 18.9 45.5 10.7 82 100 A N T 3 + 0 0 38 -5,-0.3 -5,-2.1 1,-0.3 -1,-0.2 -0.453 64.3 18.4 -70.7 139.9 21.6 47.0 8.3 83 101 A N T 3 S+ 0 0 21 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.886 78.6 176.6 65.8 41.8 24.9 45.1 8.5 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.488 32.4 117.2 -79.6 76.3 23.3 42.1 10.2 85 103 A I - 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.994 36.6-178.4-146.9 140.3 26.4 39.8 10.3 86 104 A M E -OQ 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.979 16.0-145.8-136.4 143.9 28.5 38.3 13.1 87 105 A L E -OQ 36 71C 0 -16,-2.2 -16,-3.6 -2,-0.3 2,-0.5 -0.945 13.3-161.4-112.0 133.2 31.7 36.1 13.1 88 106 A I E -OQ 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.5 -0.980 4.7-153.2-116.3 125.5 32.1 33.4 15.7 89 107 A K E -OQ 34 69C 37 -20,-2.5 -21,-3.2 -2,-0.5 -20,-1.3 -0.831 18.9-130.2 -94.4 132.5 35.5 31.9 16.5 90 108 A L E - Q 0 67C 1 -57,-2.7 -23,-0.2 -2,-0.5 -24,-0.1 -0.616 11.5-128.5 -79.3 142.6 35.5 28.4 17.9 91 109 A K S S+ 0 0 160 -25,-2.6 2,-0.3 -2,-0.3 -1,-0.1 0.813 96.6 12.4 -60.2 -33.7 37.5 27.6 21.0 92 110 A S S S- 0 0 68 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.942 98.9 -90.0-136.3 158.4 39.1 24.7 19.2 93 111 A A - 0 0 50 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.477 39.5-120.9 -73.2 143.6 39.1 23.8 15.5 94 112 A A - 0 0 6 -62,-3.0 2,-0.7 -2,-0.2 -1,-0.1 -0.440 25.7-114.3 -72.8 154.7 36.4 21.6 14.2 95 113 A S - 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