==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-05 2A31 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.R.TRANSUE,S.A.GABEL,R.E.LONDON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 . 3 1 4 4 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 1 0 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 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.9 25.2 28.5 8.0 2 17 A V B +A 171 0A 7 169,-2.7 169,-2.0 1,-0.2 123,-0.1 -0.815 360.0 9.9 -97.8 134.2 22.8 27.3 10.7 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.730 102.9 116.1 76.3 19.8 19.6 29.3 11.2 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 120,-0.1 134,-0.2 -0.044 58.0-119.3-100.6-157.3 20.0 31.4 8.1 5 20 A Y E -B 137 0B 101 132,-2.2 132,-2.8 -3,-0.1 2,-0.5 -0.936 35.6 -85.4-143.8 162.1 18.1 31.8 4.9 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.596 46.6-127.9 -77.3 123.7 18.8 31.2 1.2 7 22 A a - 0 0 4 128,-2.2 3,-0.1 -2,-0.5 2,-0.1 -0.400 29.9 -96.7 -62.1 150.0 20.4 34.2 -0.3 8 23 A A > - 0 0 68 1,-0.1 3,-2.3 2,-0.1 4,-0.3 -0.403 61.4 -81.3 -61.5 139.7 19.0 35.7 -3.5 9 24 A A T 3 S- 0 0 60 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.213 109.8 -6.5 -53.1 125.0 20.9 34.3 -6.5 10 25 A N T 3 S+ 0 0 34 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.629 92.3 127.1 63.0 21.0 24.2 36.2 -7.0 11 26 A S S < S+ 0 0 61 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.1 0.594 72.5 52.4 -81.1 -7.6 23.3 38.7 -4.4 12 27 A I S > S+ 0 0 10 -4,-0.3 3,-2.2 87,-0.1 -1,-0.2 -0.734 71.4 169.8-120.5 66.3 26.7 38.1 -2.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.631 70.9 56.9 -71.2 -12.4 28.8 38.6 -5.8 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.485 83.2 107.2 -85.9 -11.7 32.1 38.5 -3.8 15 30 A Q E < -I 28 0C 3 -3,-2.2 36,-0.4 13,-0.2 37,-0.4 -0.634 49.2-175.5 -71.5 130.6 31.4 35.1 -2.4 16 31 A V E -I 27 0C 1 11,-2.4 11,-1.1 -2,-0.4 2,-0.5 -0.832 21.5-136.4-118.9 157.7 33.5 32.2 -3.8 17 32 A S E -IJ 26 49C 1 32,-2.3 32,-2.7 -2,-0.3 2,-0.5 -0.960 16.3-144.5-105.1 128.9 33.5 28.5 -3.4 18 33 A L E -IJ 25 48C 0 7,-3.0 6,-2.7 -2,-0.5 7,-1.1 -0.866 22.3-165.8 -95.0 128.4 36.9 26.8 -3.0 19 34 A N E +IJ 23 47C 16 28,-2.7 28,-2.6 -2,-0.5 4,-0.2 -0.966 31.2 167.7-126.4 131.5 36.8 23.4 -4.6 20 37 A S S S- 0 0 61 2,-2.1 3,-0.1 -2,-0.4 -1,-0.1 -0.033 97.9 -44.9-121.4 26.1 39.3 20.5 -4.4 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.249 141.2 23.4 122.9 -37.2 37.0 17.9 -6.1 22 39 A S S S- 0 0 78 -4,-0.1 -2,-2.1 0, 0.0 2,-0.1 -0.921 106.1 -75.7-145.7 161.4 34.0 19.2 -3.9 23 40 A H E +I 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.426 53.5 159.2 -56.8 134.4 33.3 22.5 -2.2 24 41 A F E + 0 0 30 -6,-2.7 2,-0.3 1,-0.4 151,-0.3 0.544 56.8 5.9-133.0 -16.9 35.4 22.7 1.0 25 42 A b E -I 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.989 61.3-122.1-160.2 160.0 35.6 26.4 2.0 26 43 A G E +I 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.499 26.3 176.1 -93.0 178.5 34.4 29.9 1.2 27 44 A G E -I 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.953 24.2-118.9-169.2 176.9 36.4 32.9 0.3 28 45 A S E -IK 15 36C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.990 18.7-129.8-132.5 132.2 35.9 36.6 -0.8 29 46 A L E + K 0 35C 0 -15,-2.4 74,-2.1 -2,-0.4 6,-0.2 -0.652 35.7 161.8 -81.1 121.9 37.1 38.2 -4.0 30 47 A I E + 0 0 22 4,-2.2 2,-0.3 -2,-0.6 75,-0.2 0.594 67.3 19.6-115.4 -16.3 38.9 41.5 -3.0 31 48 A N E > S- K 0 34C 48 3,-1.7 3,-1.4 70,-0.1 -1,-0.4 -0.979 87.6-103.5-144.8 159.8 40.8 42.1 -6.2 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.827 124.9 32.2 -55.9 -27.4 40.3 40.9 -9.7 33 50 A Q T 3 S+ 0 0 70 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.370 113.3 69.6-109.3 3.1 43.2 38.5 -9.2 34 51 A W E < -KL 31 89C 3 -3,-1.4 -4,-2.2 55,-0.2 -3,-1.7 -0.989 47.3-172.0-140.9 133.8 42.9 37.7 -5.4 35 52 A V E -KL 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.933 16.6-147.0-111.5 142.7 40.6 35.9 -3.0 36 53 A V E +KL 28 87C 0 -8,-2.7 -8,-2.3 -2,-0.4 51,-0.2 -0.889 31.5 148.0-110.8 137.0 41.0 36.0 0.8 37 54 A S E - L 0 86C 0 49,-2.9 49,-2.1 -2,-0.4 2,-0.4 -0.673 47.9 -67.1-143.4-163.6 40.1 33.0 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.805 30.5-133.5-101.4 142.9 41.2 31.3 6.1 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.810 105.2 65.5 -60.1 -30.9 44.5 29.6 6.6 40 57 A H G 3 S+ 0 0 75 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.644 93.8 62.9 -73.6 -8.5 42.9 26.6 8.1 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.570 76.7 141.5 -77.5 -12.1 41.3 26.0 4.7 42 59 A Y < + 0 0 115 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.1 0.102 17.8 163.5 -48.1 133.8 44.8 25.5 3.1 43 60 A K - 0 0 83 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.945 43.2-124.8-135.7 154.2 45.1 22.9 0.4 44 61 A S S S+ 0 0 87 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.754 99.7 35.6 -75.6 -21.3 48.0 22.7 -2.1 45 62 A R S S+ 0 0 214 2,-0.0 2,-0.4 -25,-0.0 -1,-0.2 -0.999 72.2 171.4-131.1 130.9 45.7 22.8 -5.1 46 63 A I - 0 0 8 -2,-0.4 21,-2.9 21,-0.2 2,-0.5 -0.996 22.6-153.9-141.6 133.8 42.4 24.9 -5.2 47 64 A Q E -JM 19 66C 44 -28,-2.6 -28,-2.7 -2,-0.4 2,-0.5 -0.942 20.9-143.2-101.4 127.3 40.0 25.7 -7.9 48 65 A V E -JM 18 65C 0 17,-2.8 17,-2.9 -2,-0.5 2,-0.6 -0.782 9.9-159.4 -90.1 128.5 38.1 29.0 -7.2 49 66 A R E -JM 17 64C 51 -32,-2.7 -32,-2.3 -2,-0.5 3,-0.3 -0.925 14.7-179.7-113.5 111.7 34.4 29.0 -8.3 50 67 A L E + M 0 63C 2 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.627 59.6 32.6-105.1 160.7 33.0 32.5 -8.7 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.3 -38,-0.3 10,-0.2 0.726 84.5 151.0 72.1 13.6 29.5 33.6 -9.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.582 23.7 152.0 -84.4 148.9 27.9 30.5 -8.0 53 71 A H S S+ 0 0 15 1,-0.3 82,-0.9 4,-0.3 2,-0.8 0.467 83.6 34.0-122.4 -68.2 24.5 30.1 -6.5 54 72 A N B > -O 134 0D 25 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.836 69.6-167.5 -86.7 109.6 23.8 26.4 -6.9 55 73 A I T 3 S+ 0 0 23 78,-2.2 -1,-0.1 -2,-0.8 79,-0.1 0.592 85.9 54.8 -76.5 -7.4 27.3 24.8 -6.5 56 74 A D T 3 S+ 0 0 110 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.446 106.4 54.0-102.2 -4.3 25.8 21.5 -7.8 57 75 A V S < S- 0 0 76 -3,-1.2 2,-0.9 76,-0.2 -4,-0.3 -0.997 78.0-129.3-134.5 134.1 24.4 22.9 -11.1 58 76 A L + 0 0 130 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.702 30.7 173.6 -79.4 104.7 26.1 24.9 -13.8 59 77 A E - 0 0 106 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.403 51.0-108.1-101.0 -7.8 23.7 27.9 -14.2 60 78 A G S S+ 0 0 62 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 -0.198 101.7 82.3 114.3 -34.6 25.9 29.7 -16.7 61 79 A N + 0 0 59 -10,-0.2 2,-0.1 2,-0.1 -9,-0.1 0.277 65.6 115.4 -82.7 0.1 27.3 32.7 -14.6 62 80 A E - 0 0 25 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.429 48.4-161.4 -70.2 152.8 30.1 30.7 -13.0 63 81 A Q E -M 50 0C 33 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.6 -0.995 6.4-162.3-125.7 120.7 33.8 31.4 -13.6 64 82 A F E +M 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 17.9 169.1-104.8 120.0 36.0 28.5 -12.6 65 83 A I E -M 48 0C 14 -17,-2.9 -17,-2.8 -2,-0.6 2,-0.1 -0.987 28.8-128.8-138.3 123.7 39.6 29.6 -12.2 66 84 A N E -M 47 0C 95 -2,-0.4 25,-2.6 -19,-0.3 2,-0.3 -0.392 30.2-105.6 -71.1 148.5 42.5 27.6 -10.7 67 85 A A E -N 90 0C 23 -21,-2.9 23,-0.3 23,-0.2 -21,-0.2 -0.606 28.1-173.4 -68.2 132.3 44.7 29.1 -8.0 68 86 A A E S+ 0 0 59 21,-3.2 2,-0.3 1,-0.3 22,-0.2 0.734 74.9 15.7 -92.2 -33.4 48.2 30.1 -9.2 69 87 A K E -N 89 0C 75 20,-1.3 20,-2.5 2,-0.0 2,-0.4 -0.996 60.1-164.4-143.8 144.3 49.5 30.9 -5.7 70 88 A I E -N 88 0C 36 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.995 13.6-176.7-135.3 112.7 48.3 30.1 -2.2 71 89 A I E -N 87 0C 44 16,-3.0 16,-3.0 -2,-0.4 2,-0.2 -0.941 8.6-161.1-124.1 108.7 49.8 32.2 0.6 72 90 A T E -N 86 0C 53 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.602 41.3 -89.7 -81.8 150.4 49.0 31.5 4.3 73 91 A H > - 0 0 20 12,-2.5 3,-1.9 10,-0.3 -1,-0.1 -0.309 35.3-129.3 -58.6 130.5 49.8 34.3 6.8 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.765 106.4 46.9 -60.3 -22.6 53.4 33.7 8.0 75 93 A N T 3 S+ 0 0 107 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.169 76.9 139.1-105.8 17.0 52.2 33.9 11.7 76 94 A F < - 0 0 62 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.414 37.3-159.2 -54.3 131.6 49.2 31.6 11.4 77 95 A N > - 0 0 72 5,-1.9 4,-2.2 1,-0.1 5,-0.3 -0.979 10.0-157.0-118.4 122.4 49.1 29.4 14.5 78 96 A G T 4 S+ 0 0 57 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.541 90.7 49.8 -74.9 -13.7 47.1 26.2 14.0 79 97 A N T 4 S+ 0 0 137 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.888 124.2 24.2 -85.6 -59.7 46.5 25.8 17.8 80 98 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.1 77,-0.2 0.661 95.3-135.4 -79.7 -18.4 45.2 29.3 18.7 81 99 A L >< + 0 0 34 -4,-2.2 3,-0.9 1,-0.3 -3,-0.2 0.542 46.6 159.6 65.0 18.9 44.0 30.1 15.2 82 100 A D T 3 + 0 0 35 -5,-0.3 -5,-1.9 1,-0.2 -1,-0.3 -0.401 64.8 17.9 -64.1 142.6 45.6 33.5 15.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.884 77.4 176.0 59.9 44.5 46.2 35.0 12.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.487 34.0 117.7 -81.8 80.4 43.8 32.7 10.3 85 103 A I + 0 0 0 -2,-2.1 -12,-2.5 -47,-0.3 2,-0.3 -0.993 36.1 178.8-152.2 141.3 44.0 34.3 6.9 86 104 A M E -LN 37 72C 0 -49,-2.1 -49,-2.9 -2,-0.3 2,-0.4 -0.995 16.2-143.4-148.1 143.5 45.2 33.1 3.5 87 105 A L E -LN 36 71C 0 -16,-3.0 -16,-3.0 -2,-0.3 2,-0.5 -0.911 8.9-162.0-113.4 140.9 45.4 34.7 0.1 88 106 A I E -LN 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.5 -0.988 7.5-151.4-123.7 120.2 44.8 33.0 -3.2 89 107 A K E -LN 34 69C 38 -20,-2.5 -21,-3.2 -2,-0.5 -20,-1.3 -0.813 20.8-129.9 -89.9 127.5 46.1 34.4 -6.5 90 108 A L E - 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