==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEASE) 07-JUN-94 1EPT . COMPND 2 MOLECULE: PORCINE E-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR Q.HUANG,Z.WANG,Y.LI,S.LIU,Y.TANG . 223 3 6 3 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 74 33.2 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 1.8 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 . 16 7.2 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 . 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 . 5 1 3 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.7 25.5 28.7 7.9 2 17 A V B +A 173 0A 9 171,-3.5 171,-1.4 1,-0.2 124,-0.1 -0.815 360.0 5.5 -92.7 130.8 23.1 27.6 10.7 3 18 A G S S+ 0 0 47 122,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.768 101.8 120.0 74.9 24.2 19.8 29.5 11.0 4 19 A G - 0 0 30 -3,-0.5 2,-0.3 169,-0.1 136,-0.2 -0.237 57.6-116.5-100.4-165.6 20.3 31.6 8.0 5 20 A Y E -B 139 0B 112 134,-2.1 134,-3.1 -2,-0.1 2,-0.4 -0.914 35.5 -87.7-128.7 166.0 18.3 32.0 4.7 6 21 A T E -B 138 0B 78 -2,-0.3 132,-0.3 132,-0.2 131,-0.1 -0.569 49.2-123.8 -75.5 123.3 19.1 31.3 1.0 7 22 A a - 0 0 3 130,-2.3 3,-0.1 -2,-0.4 130,-0.1 -0.334 30.4 -94.9 -64.9 146.6 20.8 34.4 -0.5 8 23 A A > - 0 0 68 1,-0.1 3,-2.2 2,-0.1 -1,-0.1 -0.402 62.3 -84.3 -51.8 129.2 19.3 36.0 -3.6 9 24 A A T 3 S- 0 0 57 1,-0.3 -1,-0.1 -3,-0.1 45,-0.1 -0.220 108.9 -2.0 -45.2 120.6 21.1 34.5 -6.5 10 25 A N T 3 S+ 0 0 20 1,-0.2 -1,-0.3 43,-0.2 2,-0.2 0.511 92.5 128.6 69.8 11.8 24.4 36.3 -7.2 11 26 A S < + 0 0 43 -3,-2.2 -1,-0.2 1,-0.2 4,-0.1 -0.487 67.9 47.1 -75.6 162.0 23.9 38.8 -4.5 12 27 A I S > S+ 0 0 21 -2,-0.2 3,-1.8 -3,-0.1 -1,-0.2 0.963 72.1 174.4 60.4 52.8 27.2 38.5 -2.7 13 28 A P T 3 S+ 0 0 35 0, 0.0 89,-0.9 0, 0.0 39,-0.4 0.672 72.3 62.4 -63.1 -18.7 29.2 38.7 -6.0 14 29 A Y T 3 S+ 0 0 25 87,-0.2 15,-2.3 89,-0.1 2,-0.4 0.473 80.3 106.4 -81.4 -10.6 32.5 38.8 -4.0 15 30 A Q E < -J 28 0C 6 -3,-1.8 37,-0.4 13,-0.2 38,-0.4 -0.644 49.8-174.2 -73.0 132.6 31.8 35.4 -2.5 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.1 -2,-0.4 2,-0.5 -0.885 20.3-138.2-122.6 155.5 33.9 32.5 -3.9 17 32 A S E -JK 26 50C 2 33,-2.0 33,-3.0 -2,-0.3 2,-0.5 -0.955 15.0-145.6-105.2 129.3 34.0 28.7 -3.4 18 33 A L E -JK 25 49C 0 7,-2.8 6,-2.1 -2,-0.5 7,-1.0 -0.856 24.1-166.3 -92.5 128.8 37.4 27.1 -3.0 19 34 A N E +JK 23 48C 14 29,-3.1 29,-2.6 -2,-0.5 4,-0.2 -0.963 30.5 167.1-128.0 129.3 37.2 23.6 -4.6 20 37 A S S S- 0 0 46 2,-2.4 27,-0.1 -2,-0.4 3,-0.0 -0.630 96.2 -41.4-130.9 69.9 39.5 20.6 -4.5 21 38 A G S S+ 0 0 75 -2,-0.1 2,-0.3 27,-0.0 -2,-0.1 -0.033 141.4 15.8 92.5 -29.4 37.3 17.9 -6.0 22 39 A S S S- 0 0 80 -4,-0.0 -2,-2.4 0, 0.0 2,-0.2 -0.956 103.3 -71.6-162.7 161.7 34.5 19.4 -3.9 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.479 52.8 156.1 -56.0 136.0 33.7 22.6 -2.1 24 41 A F E + 0 0 31 -6,-2.1 2,-0.3 1,-0.5 153,-0.2 0.587 58.7 4.8-134.2 -22.9 35.7 22.9 1.1 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.8 153,-0.1 -1,-0.5 -0.975 61.9-125.9-157.9 160.5 36.0 26.5 2.1 26 43 A G E +J 17 0C 2 153,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.379 25.0 176.4-100.1-177.0 34.8 30.0 1.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.1 2,-0.4 -0.946 23.9-113.5-171.8 178.2 36.8 33.1 0.3 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.6 -2,-0.3 2,-0.7 -0.989 18.9-127.8-132.4 140.7 36.3 36.7 -0.8 29 46 A L E + L 0 35C 1 -15,-2.3 75,-1.5 -2,-0.4 6,-0.2 -0.737 30.7 168.9 -90.6 113.9 37.4 38.5 -4.0 30 47 A I E - 0 0 20 4,-2.1 2,-0.3 -2,-0.7 5,-0.2 0.563 68.6 -0.2-107.4 -17.2 39.4 41.6 -3.1 31 48 A N E > S- L 0 34C 46 3,-1.3 3,-1.2 71,-0.1 -1,-0.3 -0.917 94.2 -80.9-151.5 174.4 40.8 42.5 -6.5 32 49 A S T 3 S+ 0 0 46 -2,-0.3 63,-3.9 1,-0.2 61,-0.1 0.724 127.2 22.8 -53.6 -21.8 40.5 40.9 -10.0 33 50 A Q T 3 S+ 0 0 56 61,-0.2 58,-3.0 1,-0.1 2,-0.4 0.420 107.8 77.8-133.0 29.5 43.2 38.4 -9.1 34 51 A W E < -LM 31 90C 6 -3,-1.2 -4,-2.1 56,-0.2 -3,-1.3 -0.976 48.2-173.0-137.4 126.8 43.4 38.0 -5.4 35 52 A V E -LM 29 89C 0 54,-2.3 54,-2.9 -2,-0.4 2,-0.4 -0.953 13.2-148.8-114.5 133.7 41.1 36.1 -3.0 36 53 A V E +LM 28 88C 0 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.2 -0.867 32.1 143.4-104.7 136.9 41.4 36.2 0.7 37 54 A S E - M 0 87C 0 50,-2.7 50,-1.7 -2,-0.4 2,-0.5 -0.718 50.1 -57.5-144.2-157.2 40.5 33.2 2.8 38 55 A A > - 0 0 0 -12,-0.4 3,-2.9 48,-0.3 4,-0.2 -0.876 30.4-137.5-103.6 134.2 41.6 31.4 6.0 39 56 A A G > S+ 0 0 3 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.849 105.4 61.5 -58.1 -34.3 45.0 29.9 6.6 40 57 A H G 3 S+ 0 0 75 1,-0.3 -1,-0.3 42,-0.1 139,-0.0 0.613 94.0 65.3 -68.0 -11.1 43.5 26.8 8.1 41 58 A b G < S+ 0 0 2 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.434 73.9 140.4 -84.1 -4.1 41.8 26.2 4.7 42 59 A Y < 0 0 109 -3,-2.0 4,-0.0 -4,-0.2 -3,-0.0 -0.133 360.0 360.0 -44.3 131.2 45.3 25.7 3.1 43 60 A K 0 0 90 2,-0.0 4,-0.1 4,-0.0 -2,-0.1 -0.929 360.0 360.0-144.6 360.0 45.2 22.9 0.5 44 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 45 61 B S 0 0 109 0, 0.0 2,-0.4 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 35.7 48.7 22.4 -2.5 46 62 B R + 0 0 112 -4,-0.0 2,-0.4 2,-0.0 23,-0.1 -0.963 360.0 169.2-129.3 125.7 46.0 22.7 -5.2 47 63 B I - 0 0 3 -2,-0.4 21,-3.2 21,-0.2 2,-0.5 -0.993 19.3-159.1-141.5 124.6 42.9 25.0 -5.3 48 64 B Q E -KN 19 67C 38 -29,-2.6 -29,-3.1 -2,-0.4 2,-0.5 -0.925 19.3-146.9-100.7 125.3 40.4 25.9 -8.0 49 65 B V E -KN 18 66C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.848 8.2-155.7 -93.0 126.4 38.6 29.1 -7.2 50 66 B R E -KN 17 65C 51 -33,-3.0 -33,-2.0 -2,-0.5 3,-0.3 -0.917 13.4-174.6-112.1 109.8 35.0 29.2 -8.4 51 67 B L E + N 0 64C 2 13,-3.3 13,-1.9 -2,-0.6 -35,-0.1 -0.645 61.3 30.6-100.7 154.9 33.5 32.7 -9.0 52 69 B G S S+ 0 0 2 -37,-0.4 10,-0.2 -39,-0.4 -1,-0.2 0.637 84.9 149.6 76.4 20.6 30.0 33.7 -9.9 53 70 B E + 0 0 12 -38,-0.4 -43,-0.2 -3,-0.3 -1,-0.2 -0.407 22.1 147.9 -87.0 153.3 28.4 30.7 -8.1 54 71 B H S S+ 0 0 16 4,-0.2 83,-1.0 -2,-0.1 2,-1.0 0.216 81.8 38.9-135.0 -57.4 25.1 30.3 -6.4 55 72 B N B > S-P 136 0D 33 3,-0.2 3,-1.6 81,-0.2 81,-0.2 -0.835 70.1-169.4 -94.3 99.3 24.2 26.7 -6.9 56 73 B I T 3 S+ 0 0 32 79,-2.3 -1,-0.1 -2,-1.0 80,-0.1 0.663 82.0 57.0 -68.1 -9.6 27.5 25.0 -6.4 57 74 B D T 3 S+ 0 0 108 78,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.529 102.4 57.0 -97.8 -10.5 26.1 21.7 -7.7 58 75 B V S < S- 0 0 79 -3,-1.6 2,-0.8 77,-0.2 -3,-0.2 -0.977 79.1-127.9-128.4 128.1 24.8 22.9 -11.1 59 76 B L + 0 0 138 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.568 34.9 176.6 -72.0 104.9 26.8 24.6 -13.8 60 77 B E - 0 0 72 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.616 44.3-108.1 -92.4 -24.0 24.5 27.6 -14.3 61 78 B G S S+ 0 0 68 2,-0.0 -2,-0.1 0, 0.0 -9,-0.0 -0.264 102.0 76.8 126.0 -41.3 26.4 29.6 -16.9 62 79 B N + 0 0 46 -10,-0.2 2,-0.1 2,-0.0 -9,-0.1 0.396 68.7 114.2 -83.3 -5.0 27.8 32.6 -15.0 63 80 B E - 0 0 23 -13,-0.0 2,-0.5 -11,-0.0 -11,-0.2 -0.433 45.7-163.3 -79.9 148.4 30.6 30.8 -13.2 64 81 B Q E -N 51 0C 37 -13,-1.9 -13,-3.3 -2,-0.1 2,-0.6 -0.999 6.4-162.6-127.1 115.6 34.3 31.4 -13.8 65 82 B F E +N 50 0C 69 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.945 16.1 173.3-100.6 116.1 36.6 28.6 -12.5 66 83 B I E -N 49 0C 15 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.2 -0.991 26.5-128.0-127.0 129.1 40.2 29.9 -12.1 67 84 B N E -N 48 0C 83 -2,-0.4 25,-2.7 -19,-0.2 -19,-0.3 -0.508 29.5-104.4 -74.0 154.3 43.0 27.8 -10.6 68 85 B A E -O 91 0C 22 -21,-3.2 23,-0.2 23,-0.2 -21,-0.2 -0.461 31.3-176.7 -75.0 131.1 45.1 29.3 -7.8 69 86 B A E S+ 0 0 64 21,-4.1 2,-0.4 1,-0.4 22,-0.2 0.818 74.1 20.7 -92.0 -45.7 48.6 30.3 -9.1 70 87 B K E -O 90 0C 87 20,-1.3 20,-3.5 2,-0.0 2,-0.5 -0.986 61.9-165.8-130.0 132.9 50.0 31.4 -5.7 71 88 B I E -O 89 0C 42 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.975 12.9-176.7-119.0 113.0 48.8 30.4 -2.2 72 89 B I E -O 88 0C 43 16,-3.3 16,-2.8 -2,-0.5 2,-0.2 -0.922 7.0-163.5-124.5 107.5 50.3 32.6 0.6 73 90 B T E -O 87 0C 58 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.554 40.2 -89.3 -88.0 148.7 49.5 31.8 4.3 74 91 B H > - 0 0 17 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.316 34.2-129.9 -62.1 139.3 50.2 34.5 6.9 75 92 B P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.796 106.1 45.0 -67.0 -21.5 53.7 34.1 8.2 76 93 B N T 3 S+ 0 0 106 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.197 76.6 142.6-104.2 13.4 52.6 34.1 11.8 77 94 B F < - 0 0 63 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.356 35.9-158.1 -53.8 134.6 49.6 31.8 11.5 78 95 B N > - 0 0 62 5,-2.5 4,-2.1 1,-0.1 5,-0.4 -0.943 9.5-163.0-121.6 111.3 49.5 29.7 14.6 79 96 B G T 4 S+ 0 0 49 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.609 87.9 53.0 -72.1 -7.6 47.6 26.4 14.1 80 97 B N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.894 123.9 23.3 -94.3 -47.2 47.2 25.9 17.8 81 98 B T T 4 S- 0 0 65 2,-0.1 -2,-0.2 77,-0.0 78,-0.2 0.505 97.3-131.6 -93.5 -15.9 45.7 29.2 18.7 82 99 B L >< + 0 0 38 -4,-2.1 3,-0.8 1,-0.2 -3,-0.2 0.605 50.6 159.8 66.8 17.8 44.3 29.9 15.2 83 100 B D T 3 + 0 0 32 -5,-0.4 -5,-2.5 1,-0.2 -1,-0.2 -0.412 62.0 18.4 -68.8 138.1 45.9 33.3 15.6 84 101 B N T 3 S+ 0 0 16 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.877 76.9 176.6 65.8 43.4 46.5 35.0 12.1 85 102 B D < + 0 0 0 -3,-0.8 2,-0.3 76,-0.2 -1,-0.2 -0.558 34.7 115.1 -80.1 80.9 44.0 32.7 10.3 86 103 B I + 0 0 0 -2,-1.8 -12,-2.1 -48,-0.2 2,-0.3 -0.993 37.2 179.4-156.0 147.0 44.3 34.4 6.9 87 104 B M E -MO 37 73C 0 -50,-1.7 -50,-2.7 -2,-0.3 2,-0.4 -0.987 17.0-143.3-155.8 136.8 45.6 33.5 3.5 88 105 B L E -MO 36 72C 0 -16,-2.8 -16,-3.3 -2,-0.3 2,-0.4 -0.910 12.4-161.4-105.9 139.0 45.9 35.1 0.1 89 106 B I E -MO 35 71C 0 -54,-2.9 -54,-2.3 -2,-0.4 2,-0.5 -0.982 7.3-149.9-121.2 128.0 45.4 33.3 -3.2 90 107 B K E -MO 34 70C 33 -20,-3.5 -21,-4.1 -2,-0.4 -20,-1.3 -0.908 20.9-130.3 -94.6 128.5 46.6 34.6 -6.5 91 108 B L E - 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