==== 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 20-APR-07 2PLX . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.CONNERS,R.L.BRADY . 249 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 63.5 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 . 74 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1.2 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 . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 11.6 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 2 0 0 1 1 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 . 5 2 1 6 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 1 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,-0.3 0.000 360.0 360.0 360.0 125.2 11.0 17.3 20.7 2 17 A V B +A 171 0A 7 169,-3.0 169,-2.2 1,-0.2 123,-0.1 -0.863 360.0 9.2-104.6 132.5 7.3 16.9 21.6 3 18 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.661 103.0 118.8 80.8 14.5 6.1 14.0 23.7 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.005 56.4-116.8 -96.4-157.8 9.7 12.9 24.6 5 20 A Y E -B 137 0B 104 132,-2.5 132,-2.7 -3,-0.1 2,-0.4 -0.953 35.3 -84.2-144.3 158.0 11.7 12.6 27.8 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.554 36.6-152.8 -65.5 121.0 14.7 14.2 29.4 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.898 33.7-119.6 -61.9 -43.8 17.7 12.2 28.0 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 0.029 47.8 -51.1 100.1 142.6 20.0 12.8 31.0 9 24 A A T 3 S- 0 0 48 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.210 119.7 -13.1 -60.1 126.1 23.4 14.5 30.8 10 25 A N T 3 S+ 0 0 20 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.657 89.1 126.7 57.4 26.5 25.6 13.2 28.0 11 26 A T S < S+ 0 0 85 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.618 82.0 44.6 -81.2 -9.7 23.6 10.0 27.4 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.679 78.7 173.4-125.7 71.3 23.6 11.2 23.7 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.0 0, 0.0 38,-0.4 0.620 70.3 55.9 -70.1 -12.7 27.2 12.1 23.5 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.7 88,-0.1 2,-0.3 0.467 82.1 110.7 -91.7 -4.6 27.4 12.8 19.8 15 30 A Q E < -K 28 0C 5 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.522 47.7-173.6 -70.6 134.7 24.6 15.4 20.0 16 31 A V E -KL 27 50C 1 11,-2.3 11,-1.3 -2,-0.3 2,-0.4 -0.885 20.1-137.5-124.0 159.8 25.6 19.1 19.4 17 32 A S E -KL 26 49C 1 32,-2.1 32,-2.9 -2,-0.3 2,-0.5 -0.950 14.2-145.4-109.4 132.5 23.9 22.4 19.7 18 33 A L E -KL 25 48C 0 7,-3.2 6,-2.2 -2,-0.4 7,-1.0 -0.894 21.7-169.3 -97.0 126.7 24.5 25.0 16.9 19 34 A N E +KL 23 47C 29 28,-2.9 28,-2.2 -2,-0.5 4,-0.2 -0.979 26.0 154.2-130.4 119.7 24.5 28.5 18.5 20 37 A S S S- 0 0 19 2,-2.0 26,-0.1 -2,-0.5 24,-0.1 -0.700 95.3 -26.9-145.9 77.4 24.5 31.7 16.6 21 38 A G S S- 0 0 70 -2,-0.2 2,-0.2 24,-0.1 -2,-0.1 0.403 142.1 -5.9 91.8 4.5 22.9 34.3 18.9 22 39 A Y S S- 0 0 68 215,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.809 102.7 -62.8 149.5 157.1 20.9 31.4 20.6 23 40 A H E +K 19 0C 22 -2,-0.2 -4,-0.2 -4,-0.2 3,-0.1 -0.619 60.2 154.7 -71.1 133.1 20.5 27.7 20.1 24 41 A F E + 0 0 0 -6,-2.2 212,-2.1 1,-0.5 151,-0.3 0.499 57.1 14.1-137.0 -15.6 18.8 27.3 16.7 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-3.2 210,-0.2 -1,-0.5 -0.975 61.5-132.4-156.7 159.7 19.7 23.8 15.3 26 43 A G E -K 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.481 21.7-178.2-102.4-177.6 21.2 20.5 16.4 27 44 A G E -K 16 0C 0 -11,-1.3 -11,-2.3 -2,-0.2 2,-0.4 -0.935 22.8-118.8-168.4 176.2 23.9 18.4 14.7 28 45 A S E -KM 15 36C 0 8,-2.0 8,-2.9 -2,-0.3 2,-0.5 -0.999 22.1-126.5-132.2 132.7 25.8 15.2 15.2 29 46 A L E + M 0 35C 0 -15,-2.7 74,-2.3 -2,-0.4 6,-0.3 -0.626 27.6 174.8 -78.2 122.0 29.5 14.8 15.7 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.686 68.7 -7.2-108.6 -15.5 30.9 12.3 13.2 31 48 A N E > S- M 0 34C 52 3,-1.4 3,-1.2 70,-0.1 -1,-0.3 -0.942 89.9 -79.7-157.3-178.9 34.6 12.7 14.1 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.5 1,-0.2 60,-0.1 0.670 128.4 29.6 -60.6 -15.2 36.7 14.9 16.3 33 50 A Q T 3 S+ 0 0 76 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.415 110.7 67.7-120.0 -0.3 36.6 17.8 13.7 34 51 A W E < -MN 31 89C 5 -3,-1.2 -4,-2.6 55,-0.2 -3,-1.4 -0.985 49.0-171.0-136.9 138.6 33.3 17.4 11.8 35 52 A V E -MN 29 88C 0 53,-2.6 53,-3.1 -2,-0.4 2,-0.4 -0.957 15.8-142.4-125.9 137.2 29.6 17.7 12.5 36 53 A V E +MN 28 87C 0 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.2 -0.842 35.0 147.8 -93.6 137.9 26.7 16.8 10.3 37 54 A S E - N 0 86C 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.3 -0.768 49.2 -67.7-148.5-167.1 23.6 19.0 10.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.746 32.7-132.1 -93.9 143.7 20.8 20.2 8.0 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.816 106.6 63.2 -59.7 -34.1 21.6 22.5 5.0 40 57 A H G 3 S+ 0 0 11 1,-0.3 -1,-0.3 41,-0.1 195,-0.1 0.621 91.4 67.3 -74.4 -4.5 18.7 24.8 6.0 41 58 A b G < S+ 0 0 0 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.426 73.9 130.3 -86.4 -1.4 20.6 25.5 9.2 42 59 A Y < + 0 0 132 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.323 26.0 130.8 -57.3 130.1 23.4 27.3 7.3 43 60 A K - 0 0 33 -2,-0.1 3,-0.5 197,-0.0 -2,-0.0 -0.967 53.7 -81.6-168.1 171.8 24.3 30.7 8.6 44 61 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.265 99.1 22.1 -74.4 154.5 27.2 32.9 9.6 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.838 73.9 177.5 64.8 41.5 29.0 32.8 12.9 46 63 A I - 0 0 9 -3,-0.5 21,-2.5 -26,-0.1 2,-0.4 -0.612 12.3-165.6 -79.2 129.9 28.0 29.3 14.0 47 64 A Q E -LO 19 66C 51 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.5 -0.972 14.5-140.3-107.8 132.9 29.5 28.1 17.3 48 65 A V E -LO 18 65C 0 17,-3.2 17,-2.7 -2,-0.4 2,-0.6 -0.828 10.4-158.8 -95.7 128.0 29.3 24.3 18.0 49 66 A R E -LO 17 64C 54 -32,-2.9 -32,-2.1 -2,-0.5 3,-0.4 -0.938 14.9-178.6-111.7 107.2 28.5 23.3 21.5 50 67 A L E +LO 16 63C 2 13,-3.0 13,-2.7 -2,-0.6 -34,-0.1 -0.729 64.3 27.5-101.4 158.9 29.5 19.7 22.3 51 69 A G S S+ 0 0 4 -36,-0.5 -1,-0.2 -38,-0.4 2,-0.1 0.709 90.0 153.6 66.3 20.5 29.1 17.9 25.6 52 70 A E + 0 0 7 -37,-0.4 -42,-0.4 -3,-0.4 -1,-0.2 -0.448 19.9 148.2 -85.6 150.3 26.0 20.1 26.2 53 71 A D S S+ 0 0 17 1,-0.3 2,-0.8 4,-0.2 82,-0.5 0.337 74.3 38.2-137.1 -61.1 23.0 19.3 28.3 54 72 A N B > S-Q 134 0D 23 3,-0.3 3,-1.3 80,-0.2 -1,-0.3 -0.859 70.7-160.3 -96.9 108.5 21.6 22.5 29.9 55 73 A I T 3 S+ 0 0 32 78,-2.7 -1,-0.1 -2,-0.8 79,-0.1 0.641 86.5 47.3 -66.0 -15.2 22.0 25.1 27.2 56 74 A N T 3 S+ 0 0 111 77,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.473 107.7 53.9-103.8 -5.5 21.8 28.0 29.7 57 75 A V < - 0 0 71 -3,-1.3 2,-0.5 76,-0.2 -3,-0.3 -0.977 69.5-140.9-136.7 118.2 24.2 26.9 32.5 58 76 A V + 0 0 109 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.679 39.9 149.9 -75.1 125.0 27.8 25.8 32.1 59 77 A E - 0 0 120 -2,-0.5 -1,-0.2 1,-0.3 2,-0.1 0.465 59.3 -54.7-139.9 -1.5 28.2 22.9 34.5 60 78 A G S S+ 0 0 36 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.255 107.4 43.3 130.5 141.8 30.9 20.6 33.1 61 79 A N S S+ 0 0 82 1,-0.3 39,-0.2 -2,-0.1 2,-0.1 0.182 73.6 132.9 83.4 -9.5 31.7 18.6 29.9 62 80 A E - 0 0 32 37,-0.0 2,-0.4 -13,-0.0 -1,-0.3 -0.447 35.3-169.2 -71.5 141.7 30.8 21.4 27.5 63 81 A Q E -O 50 0C 39 -13,-2.7 -13,-3.0 -2,-0.1 2,-0.6 -0.992 4.6-162.2-126.1 121.8 33.2 22.3 24.7 64 82 A F E +O 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 19.0 168.1-106.6 113.3 32.5 25.5 22.8 65 83 A I E -O 48 0C 22 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.992 31.7-123.6-132.5 127.5 34.2 25.6 19.4 66 84 A S E -O 47 0C 61 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.426 28.8-115.8 -65.8 143.9 33.7 27.9 16.5 67 85 A A E -P 90 0C 23 -21,-2.5 23,-0.2 23,-0.2 3,-0.1 -0.541 24.8-171.6 -69.5 137.8 32.9 26.5 13.1 68 86 A S E S+ 0 0 60 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.685 70.4 13.6-101.4 -24.6 35.5 27.2 10.6 69 87 A K E -P 89 0C 83 20,-1.3 20,-2.3 2,-0.0 2,-0.4 -0.984 54.9-163.3-147.5 143.7 33.7 25.9 7.5 70 88 A S E -P 88 0C 33 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.966 13.3-168.2-130.6 114.9 30.1 25.1 6.7 71 89 A I E -P 87 0C 39 16,-3.4 16,-2.7 -2,-0.4 2,-0.3 -0.900 5.0-158.9-113.5 105.3 29.7 23.0 3.5 72 90 A V E -P 86 0C 45 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.636 37.4 -92.2 -81.9 143.1 26.1 22.7 2.2 73 91 A H > - 0 0 22 12,-2.4 3,-2.2 10,-0.3 -1,-0.1 -0.324 33.7-128.8 -56.4 135.5 25.4 19.7 -0.2 74 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.706 108.0 49.1 -64.0 -18.5 25.9 21.1 -3.8 75 93 A S T 3 S+ 0 0 69 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.261 77.3 137.2-100.1 8.0 22.5 19.7 -4.7 76 94 A Y < - 0 0 53 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.351 38.9-159.3 -56.8 133.7 20.6 21.2 -1.8 77 95 A N > - 0 0 62 5,-2.3 4,-2.0 1,-0.1 5,-0.5 -0.970 7.5-164.5-120.1 110.8 17.3 22.6 -3.0 78 96 A S T 4 S+ 0 0 71 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.591 86.3 57.8 -71.7 -16.4 15.9 25.2 -0.5 79 97 A N T 4 S+ 0 0 113 1,-0.1 -1,-0.2 3,-0.1 150,-0.1 0.794 124.6 17.9 -79.0 -37.9 12.4 25.1 -2.1 80 98 A T T 4 S- 0 0 61 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.494 96.4-126.6-111.1 -12.6 11.8 21.4 -1.7 81 99 A L >< + 0 0 1 -4,-2.0 3,-0.8 1,-0.3 -3,-0.2 0.622 51.4 160.0 64.3 20.8 14.5 20.6 1.0 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.3 -0.488 67.6 15.2 -66.5 138.7 15.9 17.8 -1.2 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.913 80.2 177.5 62.4 44.3 19.5 17.0 -0.1 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.512 33.8 116.0 -83.8 77.1 19.1 18.9 3.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.4 -47,-0.3 2,-0.3 -0.998 35.8 177.1-147.2 144.6 22.5 18.0 4.6 86 104 A M E -NP 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.991 18.9-142.0-146.9 144.6 25.6 20.2 5.6 87 105 A L E -NP 36 71C 0 -16,-2.7 -16,-3.4 -2,-0.3 2,-0.5 -0.939 13.6-159.6-110.7 137.0 29.0 19.4 7.1 88 106 A I E -NP 35 70C 0 -53,-3.1 -53,-2.6 -2,-0.4 2,-0.4 -0.958 5.2-150.5-115.9 127.7 30.6 21.7 9.6 89 107 A K E -NP 34 69C 40 -20,-2.3 -21,-3.3 -2,-0.5 -20,-1.3 -0.820 18.0-129.5 -95.5 134.9 34.3 21.7 10.3 90 108 A L E - 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