==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (PROTEINASE/INHIBITOR) 21-SEP-97 1AVW . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR H.K.SONG,S.W.SUH . 394 4 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 5 4 7 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 1 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 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 117.1 23.5 15.1 27.2 2 17 A V B +A 171 0A 10 169,-3.0 169,-1.7 1,-0.2 123,-0.1 -0.842 360.0 6.3 -97.0 128.6 23.8 17.8 24.5 3 18 A G S S+ 0 0 36 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.727 101.5 117.0 78.5 19.7 21.3 20.7 24.8 4 19 A G - 0 0 29 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.045 58.4-113.7 -99.3-160.4 19.8 19.7 28.1 5 20 A Y E -B 137 0B 99 132,-2.4 132,-3.2 -3,-0.1 2,-0.3 -0.969 34.2 -88.5-133.1 164.7 19.6 21.4 31.5 6 21 A T E -B 136 0B 78 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.517 49.6-125.6 -72.4 121.2 21.0 20.6 35.0 7 22 A a - 0 0 4 128,-2.4 3,-0.1 -2,-0.3 128,-0.1 -0.420 29.6 -95.9 -63.0 149.9 18.5 18.4 36.8 8 23 A A > - 0 0 69 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.369 63.6 -78.7 -60.1 143.0 17.2 19.6 40.1 9 24 A A T 3 S- 0 0 61 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.272 109.4 -9.8 -56.1 130.2 19.3 17.8 42.8 10 25 A N T 3 S+ 0 0 37 42,-0.2 -1,-0.3 1,-0.1 43,-0.1 0.729 93.2 128.6 50.5 29.7 18.2 14.2 43.3 11 26 A S S < S+ 0 0 57 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.513 71.4 51.7 -86.5 -7.2 15.1 14.7 41.2 12 27 A I S > S+ 0 0 11 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.616 72.1 168.3-121.1 72.8 15.9 11.7 39.1 13 28 A P T 3 + 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.543 68.6 59.4 -73.4 -10.7 16.4 9.3 42.0 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.500 80.9 109.3 -87.7 -11.4 16.5 6.1 39.9 15 30 A Q E < -K 28 0C 6 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.542 49.0-172.8 -64.8 130.9 19.5 7.3 38.0 16 31 A V E -K 27 0C 2 11,-2.5 11,-1.1 -2,-0.3 2,-0.4 -0.865 18.8-138.8-122.1 156.0 22.8 5.4 38.7 17 32 A S E -KL 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.947 13.2-144.9-104.5 129.2 26.4 6.0 37.7 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.1 -0.913 24.7-166.9 -92.2 127.6 28.5 2.9 36.7 19 34 A N E +KL 23 47C 20 28,-2.7 28,-2.7 -2,-0.6 4,-0.2 -0.922 29.5 160.1-127.6 125.3 32.0 3.6 37.9 20 37 A S S S- 0 0 31 2,-2.2 2,-0.9 -2,-0.4 26,-0.1 -0.692 96.5 -33.9-141.8 82.7 35.2 1.8 37.1 21 38 A G S S+ 0 0 80 -2,-0.2 2,-0.3 3,-0.0 -2,-0.1 -0.283 141.3 1.2 88.7 -56.6 37.9 4.3 37.9 22 39 A S S S- 0 0 44 -2,-0.9 -2,-2.2 -4,-0.1 2,-0.2 -0.923 103.2 -62.3-145.8 177.4 35.5 7.0 36.8 23 40 A H E +K 19 0C 5 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.435 55.6 154.4 -59.5 131.8 32.0 7.3 35.5 24 41 A F E + 0 0 0 -6,-2.3 265,-1.6 1,-0.5 2,-0.3 0.560 61.0 9.4-134.1 -17.5 31.6 5.5 32.1 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-3.1 263,-0.2 -1,-0.5 -0.973 62.5-132.9-153.6 164.1 27.9 4.6 31.8 26 43 A G E +K 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.358 22.2 175.5-107.0-171.9 24.6 5.2 33.4 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.5 10,-0.1 2,-0.4 -0.954 24.9-109.0-176.1-176.6 21.8 2.9 34.5 28 45 A S E -KM 15 36C 2 8,-2.4 8,-2.5 -2,-0.3 2,-0.6 -0.988 19.5-128.0-136.8 134.8 18.4 2.7 36.2 29 46 A L E + M 0 35C 1 -15,-2.6 74,-2.1 -2,-0.4 6,-0.2 -0.689 29.1 170.0 -83.0 117.9 17.4 1.3 39.6 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.603 68.8 -4.8-107.5 -19.6 14.4 -1.0 39.1 31 48 A N E > S- M 0 34C 47 3,-1.3 3,-0.6 70,-0.1 -1,-0.3 -0.933 88.8 -81.2-154.7-177.1 14.4 -2.6 42.5 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.7 1,-0.2 60,-0.1 0.700 127.7 26.3 -60.1 -20.1 16.4 -2.5 45.7 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.431 109.9 71.6-119.1 -7.4 18.9 -5.0 44.3 34 51 A W E < -MN 31 89C 6 -3,-0.6 -4,-2.3 55,-0.2 -3,-1.3 -0.971 47.8-172.3-126.8 136.2 18.8 -4.7 40.5 35 52 A V E -MN 29 88C 0 53,-2.7 53,-2.5 -2,-0.4 2,-0.4 -0.911 13.8-147.6-120.4 138.3 20.0 -2.1 38.0 36 53 A V E +MN 28 87C 0 -8,-2.5 -8,-2.4 -2,-0.4 2,-0.2 -0.887 32.6 145.5-108.2 136.9 19.3 -2.1 34.2 37 54 A S E - N 0 86C 0 49,-2.1 49,-2.1 -2,-0.4 2,-0.3 -0.832 50.8 -62.5-146.7-166.7 21.9 -0.8 31.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.2 47,-0.3 -0.723 34.3-132.9 -93.5 139.5 23.2 -1.4 28.3 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.807 105.9 64.0 -58.2 -30.9 25.0 -4.6 27.4 40 57 A H G 3 S+ 0 0 4 1,-0.3 -1,-0.3 41,-0.1 252,-0.1 0.555 91.2 65.9 -73.5 -9.2 27.8 -2.7 25.8 41 58 A b G < S+ 0 0 2 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.307 73.7 136.9 -86.1 0.2 28.7 -1.2 29.2 42 59 A Y < + 0 0 123 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.0 -0.362 21.9 159.9 -52.5 131.2 29.6 -4.7 30.4 43 60 A K - 0 0 13 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.963 46.2-123.8-151.7 151.5 32.9 -4.7 32.5 44 61 A S S S+ 0 0 74 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.854 101.2 40.2 -72.9 -35.0 34.2 -7.3 34.9 45 62 A R S S+ 0 0 192 -3,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.971 72.1 161.4-119.2 119.2 34.5 -4.8 37.8 46 63 A I - 0 0 9 -2,-0.5 21,-2.4 21,-0.2 2,-0.5 -0.989 24.0-159.1-138.1 131.8 31.8 -2.2 38.3 47 64 A Q E -LO 19 66C 48 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.952 17.3-144.8-105.8 125.9 30.8 -0.1 41.2 48 65 A V E -LO 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.795 10.6-159.0 -89.2 127.0 27.3 1.3 41.1 49 66 A R E -LO 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.5 2,-0.3 -0.952 12.7-176.2-113.4 113.9 26.9 4.8 42.6 50 67 A L E + O 0 63C 3 13,-3.1 13,-2.2 -2,-0.6 -34,-0.1 -0.762 60.2 33.0-103.7 159.2 23.4 5.7 43.7 51 69 A G S S+ 0 0 3 -36,-0.5 2,-0.3 -38,-0.3 10,-0.2 0.726 83.0 153.3 73.0 13.0 22.0 9.0 45.1 52 70 A E + 0 0 13 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.626 21.4 150.3 -75.4 146.6 24.4 11.0 43.0 53 71 A H S S+ 0 0 21 1,-0.4 82,-1.1 -2,-0.3 2,-0.8 0.525 82.0 32.7-129.9 -59.3 24.0 14.6 41.8 54 72 A N B > S-Q 134 0D 28 3,-0.2 3,-1.1 80,-0.2 -1,-0.4 -0.862 71.5-166.1 -95.2 105.9 27.5 16.0 41.5 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.582 83.7 56.2 -72.2 -6.5 29.6 12.9 40.6 56 74 A D T 3 S+ 0 0 109 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.430 105.1 52.7 -98.2 -9.9 32.8 14.7 41.5 57 75 A V S < S- 0 0 78 -3,-1.1 2,-0.7 76,-0.2 -4,-0.2 -0.998 80.5-120.6-132.9 136.2 32.0 15.7 45.0 58 76 A L + 0 0 136 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.636 32.9 173.6 -74.7 115.8 30.8 13.7 48.1 59 77 A E - 0 0 68 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.626 48.9-109.3-102.2 -17.1 27.5 15.2 49.0 60 78 A G S S+ 0 0 68 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.260 101.5 84.4 106.1 -7.2 26.4 12.8 51.8 61 79 A N + 0 0 73 -10,-0.2 2,-0.1 2,-0.0 -9,-0.1 0.423 64.4 114.5-103.7 -2.8 23.5 11.2 49.9 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.367 44.0-165.3 -81.1 150.3 25.5 8.6 47.9 63 81 A Q E -O 50 0C 36 -13,-2.2 -13,-3.1 -2,-0.1 2,-0.6 -0.998 8.1-163.3-127.8 118.6 25.5 4.8 48.2 64 82 A F E +O 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.955 17.9 170.0-104.3 113.5 28.4 3.0 46.5 65 83 A I E -O 48 0C 14 -17,-2.8 -17,-2.9 -2,-0.6 -2,-0.1 -0.991 29.6-124.9-130.6 130.4 27.7 -0.7 46.0 66 84 A N E -O 47 0C 91 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.302 29.2-110.4 -72.0 143.9 29.7 -3.2 44.0 67 85 A A E +P 90 0C 20 -21,-2.4 -21,-0.2 23,-0.2 23,-0.2 -0.703 33.1 179.6 -70.3 130.7 28.0 -5.2 41.2 68 86 A A E S+ 0 0 64 21,-3.7 2,-0.4 -2,-0.4 22,-0.2 0.832 70.9 28.7 -96.3 -57.5 27.7 -8.9 42.2 69 87 A K E -P 89 0C 85 20,-1.4 20,-2.3 2,-0.0 2,-0.4 -0.884 62.6-173.4-105.2 137.4 25.9 -10.4 39.1 70 88 A I E +P 88 0C 33 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.951 11.4 177.3-130.7 106.2 26.4 -8.8 35.6 71 89 A I E -P 87 0C 44 16,-3.2 16,-3.1 -2,-0.4 2,-0.2 -0.952 11.0-163.2-123.9 104.1 24.1 -10.5 33.1 72 90 A T E -P 86 0C 47 -2,-0.6 14,-0.2 14,-0.3 12,-0.1 -0.541 43.1 -83.7 -80.0 153.1 24.0 -9.3 29.5 73 91 A H > - 0 0 19 12,-2.3 3,-2.4 10,-0.3 -1,-0.1 -0.388 36.8-126.2 -59.1 139.3 21.1 -10.3 27.3 74 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.789 109.3 46.2 -65.3 -19.6 21.7 -13.8 25.8 75 93 A N T 3 S+ 0 0 108 8,-0.1 2,-0.2 2,-0.1 7,-0.1 0.251 77.3 140.0-104.0 14.1 21.1 -12.4 22.3 76 94 A F < - 0 0 58 -3,-2.4 2,-0.6 9,-0.1 7,-0.2 -0.401 35.1-162.0 -59.0 131.2 23.3 -9.3 22.6 77 95 A N B >>> -R 82 0E 77 5,-2.1 4,-1.7 -2,-0.2 5,-0.8 -0.919 7.5-159.3-124.1 104.8 25.2 -8.8 19.3 78 96 A G T 345S+ 0 0 25 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.743 89.8 38.0 -58.4 -33.5 28.1 -6.5 19.6 79 97 A N T 345S+ 0 0 44 1,-0.1 -1,-0.2 216,-0.1 280,-0.0 0.625 118.3 46.0-103.7 -11.2 28.4 -5.6 16.0 80 98 A T T <45S- 0 0 71 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.510 99.5-137.4 -97.8 -0.4 24.7 -5.4 15.1 81 99 A L T <5 + 0 0 6 -4,-1.7 3,-0.4 1,-0.2 2,-0.2 0.644 53.7 145.2 63.9 17.4 24.2 -3.4 18.3 82 100 A D B < +R 77 0E 27 -5,-0.8 -5,-2.1 1,-0.2 -1,-0.2 -0.574 52.4 17.4 -98.6 151.2 21.0 -5.4 18.9 83 101 A N S S+ 0 0 20 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.922 74.6 178.5 59.3 46.6 19.5 -6.6 22.2 84 102 A D + 0 0 2 -3,-0.4 2,-0.3 75,-0.2 123,-0.2 -0.501 31.5 115.0 -87.3 75.1 21.6 -4.0 24.0 85 103 A I + 0 0 0 -2,-1.9 -12,-2.3 -47,-0.3 2,-0.3 -0.992 36.0 178.9-148.0 143.4 20.5 -4.6 27.6 86 104 A M E -NP 37 72C 0 -49,-2.1 -49,-2.1 -2,-0.3 2,-0.4 -0.984 16.9-142.9-145.1 144.8 22.1 -5.9 30.8 87 105 A L E -NP 36 71C 0 -16,-3.1 -16,-3.2 -2,-0.3 2,-0.5 -0.954 10.8-163.1-112.8 138.5 21.1 -6.5 34.4 88 106 A I E -NP 35 70C 0 -53,-2.5 -53,-2.7 -2,-0.4 2,-0.5 -0.984 7.1-152.9-117.9 125.1 23.4 -5.9 37.4 89 107 A K E -NP 34 69C 40 -20,-2.3 -21,-3.7 -2,-0.5 -20,-1.4 -0.914 22.4-129.1 -93.7 124.9 22.6 -7.5 40.8 90 108 A L E - 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