==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-MAR-12 3VPK . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Y.MASUDA,Y.NITANAI,R.MIZUTANI,S.NOGUCHI . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 30.9 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 . 3 1.3 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 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 . 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 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 . 3 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.4 10.8 3.8 24.9 2 17 A V B +A 171 0A 11 169,-2.9 169,-1.7 1,-0.2 123,-0.1 -0.874 360.0 4.8-101.3 131.6 10.9 7.4 23.7 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.714 101.9 119.1 72.3 22.0 8.7 8.5 20.7 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.042 56.6-116.6 -97.5-155.7 7.0 5.1 20.4 5 20 A Y E -B 137 0B 112 132,-2.1 132,-2.7 -3,-0.1 2,-0.4 -0.951 34.8 -81.7-144.0 159.5 3.4 4.0 20.7 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.520 36.3-151.1 -64.2 119.4 1.2 1.8 22.9 7 22 A a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.886 36.7-116.1 -58.1 -42.8 1.6 -1.8 21.6 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 4,-0.0 4,-0.3 0.048 48.7 -52.2 104.0 140.5 -1.8 -2.9 22.7 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.154 119.7 -12.8 -50.8 122.1 -2.4 -5.7 25.3 10 25 A N T 3 S+ 0 0 30 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.601 89.6 127.6 62.8 18.0 -0.5 -8.9 24.6 11 26 A T S < S+ 0 0 86 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.617 77.5 48.5 -74.6 -14.9 0.5 -7.9 21.0 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.1 1,-0.1 -1,-0.2 -0.692 74.1 171.4-117.2 74.9 4.2 -8.7 22.0 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.658 71.7 56.0 -74.1 -11.8 3.6 -12.1 23.6 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.473 83.3 109.3 -86.8 -6.8 7.3 -13.0 24.1 15 30 A Q E < -J 28 0C 5 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.585 49.1-174.9 -74.8 127.8 7.9 -9.7 26.0 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.4 2,-0.5 -0.880 20.6-137.8-118.8 157.5 8.6 -10.2 29.7 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.6 -2,-0.3 2,-0.5 -0.959 13.8-144.8-106.6 128.3 9.2 -7.9 32.7 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.5 -2,-0.5 7,-1.1 -0.845 25.8-170.1 -92.7 125.1 11.9 -8.8 35.2 19 34 A N E +JK 23 47C 15 28,-2.6 28,-2.5 -2,-0.5 4,-0.2 -0.953 31.9 170.4-127.8 129.8 10.7 -7.8 38.7 20 37 A S S S- 0 0 37 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.317 97.0 -48.2-125.4 49.7 12.4 -7.6 42.1 21 38 A G S S+ 0 0 74 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.388 140.5 32.4 93.2 0.5 9.6 -5.8 43.9 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.911 102.4 -82.4-172.2 159.4 9.4 -3.4 40.9 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.604 51.6 156.9 -73.4 127.1 10.1 -3.6 37.1 24 41 A F E + 0 0 28 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.613 58.2 2.2-125.1 -23.6 13.8 -3.2 36.5 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-2.8 151,-0.1 -1,-0.4 -0.972 61.2-123.3-159.4 162.3 14.5 -4.8 33.0 26 43 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.445 27.3 177.1 -99.3 178.3 12.8 -6.5 30.1 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.956 24.7-113.9-169.2 176.3 13.5 -9.9 28.5 28 45 A S E -JL 15 36C 1 8,-2.3 8,-3.0 -2,-0.3 2,-0.5 -0.992 19.6-130.7-129.0 132.1 12.4 -12.3 25.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.675 27.9 172.5 -80.6 121.9 10.8 -15.7 26.2 30 47 A I E - 0 0 17 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.634 67.8 -7.8-109.7 -18.1 12.6 -18.2 24.0 31 48 A N E > S- L 0 34C 52 3,-1.4 3,-1.2 70,-0.1 -1,-0.4 -0.933 89.3 -79.9-159.8 179.1 10.9 -21.4 25.1 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.4 1,-0.3 60,-0.1 0.709 128.2 28.9 -60.8 -18.3 8.5 -22.4 27.9 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.420 110.5 66.9-121.5 6.7 11.4 -22.5 30.5 34 51 A W E < -LM 31 89C 9 -3,-1.2 -4,-2.3 55,-0.2 -3,-1.4 -0.989 49.6-168.9-140.9 136.7 14.0 -20.0 29.3 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.5 -0.945 14.2-143.2-121.8 141.8 14.3 -16.2 29.0 36 53 A V E +LM 28 87C 1 -8,-3.0 -8,-2.3 -2,-0.4 51,-0.2 -0.913 35.0 145.8-104.9 132.2 17.0 -14.1 27.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.1 -2,-0.5 2,-0.4 -0.689 50.3 -68.4-142.8-167.7 18.0 -10.7 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.771 31.4-134.8 -93.6 140.0 21.0 -8.5 29.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.837 106.0 63.8 -59.3 -31.9 23.9 -9.5 31.5 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.659 93.3 64.3 -70.5 -12.2 24.0 -6.0 33.0 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.422 77.6 129.7 -84.2 -2.1 20.5 -6.8 34.3 42 59 A Y < + 0 0 128 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.281 19.6 131.2 -58.2 136.1 21.7 -9.6 36.6 43 60 A K - 0 0 59 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.923 53.5 -97.9-163.0 169.8 20.7 -9.7 40.3 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.417 97.2 44.1 -83.5 169.0 19.4 -12.3 42.7 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.833 73.4 170.0 70.1 33.1 15.7 -12.6 43.5 46 63 A I - 0 0 9 -3,-0.3 21,-2.4 21,-0.1 2,-0.5 -0.655 17.9-165.5 -79.9 128.7 14.4 -12.2 40.0 47 64 A Q E -KN 19 66C 50 -28,-2.5 -28,-2.6 -2,-0.4 2,-0.5 -0.977 14.6-141.4-108.7 126.9 10.7 -12.9 39.4 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.0 -2,-0.5 2,-0.6 -0.748 12.1-160.0 -90.3 127.5 9.7 -13.3 35.7 49 66 A R E -KN 17 64C 50 -32,-2.6 -32,-2.2 -2,-0.5 3,-0.3 -0.930 12.4-176.4-114.9 114.1 6.4 -11.7 34.7 50 67 A L E + N 0 63C 1 13,-3.1 13,-2.0 -2,-0.6 -34,-0.1 -0.676 60.5 27.8-107.5 156.3 4.8 -13.0 31.5 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.687 85.0 156.0 69.6 20.6 1.6 -12.0 29.7 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.517 21.8 150.8 -81.1 144.0 1.9 -8.4 31.1 53 71 A D S S+ 0 0 13 1,-0.3 2,-0.8 4,-0.2 -1,-0.2 0.367 80.2 33.0-122.6 -74.2 0.5 -5.3 29.6 54 72 A N S > S- 0 0 23 80,-0.2 3,-1.1 1,-0.1 -1,-0.3 -0.744 71.8-165.5 -79.8 110.6 -0.2 -2.9 32.5 55 73 A I T 3 S+ 0 0 26 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.534 84.1 53.6 -79.4 -4.1 2.6 -3.8 34.9 56 74 A N T 3 S+ 0 0 111 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.465 105.9 55.0-104.3 -7.3 0.9 -2.0 37.8 57 75 A V S < S- 0 0 77 -3,-1.1 2,-0.8 76,-0.2 -4,-0.2 -0.992 77.4-127.0-131.9 134.6 -2.5 -3.7 37.6 58 76 A V + 0 0 119 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.724 41.6 159.7 -76.0 112.5 -3.5 -7.4 37.7 59 77 A E - 0 0 103 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.566 52.9 -89.9-111.5 -15.1 -5.7 -7.7 34.5 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.269 101.1 62.7 111.5 154.8 -5.7 -11.4 33.7 61 79 A N S S+ 0 0 76 1,-0.3 2,-0.2 -2,-0.1 -3,-0.0 0.402 71.6 132.9 75.4 -2.6 -3.3 -13.5 31.6 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.526 35.7-169.7 -77.0 145.8 -0.3 -12.8 33.8 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-3.1 -2,-0.2 2,-0.6 -0.976 5.0-161.7-130.9 125.5 2.0 -15.6 35.0 64 82 A F E +N 49 0C 86 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.934 16.8 173.4-104.7 123.4 4.6 -14.8 37.7 65 83 A I E -N 48 0C 13 -17,-3.0 -17,-3.4 -2,-0.6 2,-0.1 -0.997 27.9-126.1-135.5 130.3 7.4 -17.3 37.8 66 84 A S E -N 47 0C 58 -2,-0.4 25,-3.2 -19,-0.3 2,-0.3 -0.440 28.5-115.0 -70.1 142.6 10.6 -17.2 39.9 67 85 A A E -O 90 0C 24 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.626 24.1-171.1 -71.1 133.9 13.9 -17.6 38.2 68 86 A S E S+ 0 0 64 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.644 74.6 13.9 -94.1 -22.6 15.7 -20.8 39.3 69 87 A K E -O 89 0C 77 20,-1.3 20,-2.5 2,-0.0 2,-0.4 -0.979 57.7-164.2-149.8 138.0 19.1 -19.9 37.5 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.978 14.2-166.2-125.0 118.8 20.4 -16.7 36.0 71 89 A I E -O 87 0C 37 16,-3.6 16,-2.8 -2,-0.4 2,-0.3 -0.896 1.6-163.5-114.1 102.4 23.4 -17.3 33.7 72 90 A V E -O 86 0C 41 -2,-0.7 14,-0.2 14,-0.3 12,-0.1 -0.602 40.2 -93.6 -76.9 138.6 25.5 -14.3 32.6 73 91 A H > - 0 0 25 12,-2.2 3,-2.1 10,-0.3 -1,-0.1 -0.342 32.6-129.8 -50.1 129.7 27.8 -14.8 29.6 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.762 107.6 48.3 -61.5 -23.2 31.2 -15.9 31.1 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.213 77.8 135.1-101.6 15.1 32.9 -13.2 28.9 76 94 A Y < - 0 0 55 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.453 41.6-156.2 -60.0 128.1 30.5 -10.4 29.8 77 95 A N > - 0 0 70 5,-2.1 4,-2.7 -2,-0.2 5,-0.4 -0.951 7.7-155.8-114.4 118.7 32.6 -7.3 30.6 78 96 A S T 4 S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.649 90.5 47.7 -72.0 -16.2 30.8 -4.8 32.8 79 97 A N T 4 S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.876 124.7 26.1 -89.6 -42.5 32.9 -1.8 31.5 80 98 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.740 94.5-135.3 -87.7 -23.3 32.6 -2.3 27.8 81 99 A L >< + 0 0 30 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.660 46.2 160.0 66.1 22.1 29.3 -4.2 27.9 82 100 A N T 3 + 0 0 35 -5,-0.4 -5,-2.1 1,-0.2 -1,-0.3 -0.548 66.6 18.3 -68.9 137.9 30.8 -6.7 25.4 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.898 79.1 176.5 66.7 43.5 28.8 -10.0 25.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.516 34.1 115.2 -82.3 75.1 25.8 -8.3 27.3 85 103 A I - 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