==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 29-MAY-11 3S8K . COMPND 2 MOLECULE: LATEX SERINE PROTEINASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR A.GARCIA-PINO . 365 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 33.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 33 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.9 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+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 0 0 0 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 . 2 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 . 21 3 0 4 6 2 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 0 0 0 0 0 0 0 0 0 0 2 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 2 A A 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.3 38.4 35.8 12.3 2 3 A P - 0 0 65 0, 0.0 73,-0.1 0, 0.0 74,-0.0 -0.313 360.0 -97.6 -61.0 158.1 36.7 37.9 15.0 3 4 A K - 0 0 68 1,-0.1 71,-2.8 70,-0.1 2,-0.0 -0.468 39.7-102.5 -76.7 147.1 36.3 36.3 18.4 4 5 A P B -A 73 0A 41 0, 0.0 2,-0.4 0, 0.0 69,-0.3 -0.377 29.9-118.4 -59.6 144.1 33.1 34.6 19.4 5 6 A I - 0 0 0 67,-2.8 8,-2.9 8,-0.2 2,-0.3 -0.697 37.9-151.2 -69.8 135.3 30.8 36.5 21.7 6 7 A V B -B 12 0B 34 -2,-0.4 172,-0.4 6,-0.3 2,-0.0 -0.877 4.1-128.5-113.8 154.4 30.5 34.3 24.8 7 8 A D > - 0 0 5 4,-2.9 3,-2.2 -2,-0.3 172,-0.2 -0.155 45.5 -81.9 -86.3-173.7 27.7 33.9 27.3 8 9 A I T 3 S+ 0 0 15 170,-2.4 171,-0.1 1,-0.3 -1,-0.1 0.756 132.0 52.7 -68.9 -23.0 28.1 34.1 31.1 9 10 A D T 3 S- 0 0 81 169,-0.3 -1,-0.3 2,-0.1 170,-0.1 0.306 120.6-107.8 -89.3 7.2 29.3 30.4 31.2 10 11 A G S < S+ 0 0 34 -3,-2.2 -2,-0.1 1,-0.3 3,-0.0 0.553 76.6 132.1 78.1 10.6 32.0 31.1 28.6 11 12 A K - 0 0 86 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.715 67.6 -92.7 -91.8 143.5 30.2 29.3 25.7 12 13 A P B -B 6 0B 51 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.241 39.9-118.3 -53.2 138.0 29.9 30.9 22.3 13 14 A V - 0 0 0 -8,-2.9 59,-2.8 59,-0.4 2,-0.3 -0.601 34.6-150.7 -75.9 137.0 26.6 32.8 21.8 14 15 A L B > -C 71 0C 55 -2,-0.3 3,-0.8 57,-0.2 47,-0.4 -0.865 12.6-114.0-116.7 149.5 24.6 31.2 18.9 15 16 A Y T 3 S+ 0 0 10 55,-1.9 47,-0.2 -2,-0.3 3,-0.1 -0.440 97.8 27.2 -71.1 152.0 22.1 32.6 16.5 16 17 A G T 3 S+ 0 0 49 45,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.672 97.1 106.5 69.9 18.9 18.5 31.4 16.8 17 18 A V S < S- 0 0 37 -3,-0.8 44,-0.5 44,-0.2 2,-0.3 -0.968 73.0-105.2-132.0 147.9 18.6 30.6 20.5 18 19 A D + 0 0 38 -2,-0.4 163,-1.9 42,-0.1 164,-0.5 -0.523 40.4 170.1 -75.7 131.1 17.1 32.4 23.4 19 20 A Y E -DE 59 180D 2 40,-2.4 40,-2.8 -2,-0.3 2,-0.4 -0.986 31.1-132.1-130.4 148.3 19.2 34.5 25.7 20 21 A F E - E 0 179D 46 159,-2.9 159,-2.5 -2,-0.3 2,-0.6 -0.760 20.8-145.5 -85.6 145.4 18.4 37.0 28.4 21 22 A V E - E 0 178D 0 34,-0.4 12,-0.6 36,-0.4 2,-0.4 -0.959 29.4-179.8-117.5 110.4 20.5 40.1 28.0 22 23 A V E -FE 32 177D 12 155,-2.5 155,-2.9 -2,-0.6 10,-0.3 -0.892 33.3 -98.0-127.6 139.5 21.2 41.3 31.5 23 24 A S E - E 0 176D 11 8,-2.4 8,-0.3 -2,-0.4 153,-0.3 -0.263 21.9-146.9 -51.4 132.9 23.1 44.2 33.1 24 25 A A S S+ 0 0 8 151,-2.4 2,-0.4 112,-0.1 -1,-0.2 0.750 84.4 71.9 -69.4 -28.2 26.7 43.3 34.1 25 26 A I S S- 0 0 59 150,-0.5 291,-0.2 4,-0.3 6,-0.1 -0.797 76.6-148.2 -95.0 131.9 26.3 45.7 37.0 26 27 A W > + 0 0 145 289,-1.8 3,-1.1 -2,-0.4 2,-0.1 -0.049 58.1 34.0 -85.5-171.8 24.0 44.8 40.0 27 28 A G G > S+ 0 0 57 1,-0.3 3,-2.1 2,-0.2 -2,-0.0 -0.380 126.2 0.4 69.2-137.3 22.0 46.9 42.3 28 29 A A G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.838 139.8 48.5 -58.1 -33.7 20.4 50.1 40.9 29 30 A G G < S+ 0 0 21 -3,-1.1 -1,-0.3 -5,-0.0 -4,-0.3 0.464 92.5 110.5 -83.4 -2.6 21.9 49.3 37.5 30 31 A G < + 0 0 11 -3,-2.1 -4,-0.1 22,-0.1 2,-0.1 -0.212 37.0 81.4 -78.2 162.9 20.7 45.7 37.4 31 32 A G - 0 0 10 -8,-0.3 -8,-2.4 22,-0.1 24,-0.2 -0.265 58.3-107.3 126.1 153.3 18.1 44.0 35.3 32 33 A G E -FG 22 51D 0 22,-2.8 19,-2.7 19,-0.5 24,-0.3 -0.116 45.3 -77.6 -95.4-161.6 17.5 42.5 31.8 33 34 A L E +hG 56 50D 0 22,-0.7 24,-3.2 -12,-0.6 17,-0.2 -0.754 49.0 142.5-114.2 145.5 15.6 43.8 28.8 34 35 A T E - G 0 49D 23 15,-3.2 15,-2.6 -2,-0.3 2,-0.3 -0.721 41.3 -89.8-151.4-154.9 11.9 43.9 27.8 35 36 A V E + G 0 48D 22 13,-0.3 2,-0.3 -2,-0.2 13,-0.2 -0.910 33.2 169.8-132.8 153.4 9.5 46.2 26.1 36 37 A Y E - G 0 47D 130 11,-1.8 11,-2.7 -2,-0.3 7,-0.1 -0.978 28.1-114.7-162.1 155.6 7.2 49.1 27.0 37 38 A G - 0 0 5 -2,-0.3 9,-0.1 9,-0.2 7,-0.1 0.011 57.4 -69.5 -84.5-169.8 5.1 51.8 25.4 38 39 A P - 0 0 18 0, 0.0 5,-0.1 0, 0.0 3,-0.1 0.588 69.9-113.0 -67.3 -8.4 5.5 55.5 25.6 39 40 A G S S+ 0 0 24 3,-0.5 2,-0.1 1,-0.4 4,-0.1 0.197 86.7 83.5 106.5 -15.1 4.6 55.5 29.3 40 41 A N S S- 0 0 96 2,-0.2 -1,-0.4 0, 0.0 -3,-0.1 -0.137 108.2 -54.7-104.0-158.6 1.2 57.4 29.3 41 42 A K S S+ 0 0 109 -3,-0.1 2,-0.3 -2,-0.1 -4,-0.0 0.709 110.8 91.8 -61.4 -22.8 -2.3 56.0 28.5 42 43 A K - 0 0 35 1,-0.1 -3,-0.5 2,-0.0 -2,-0.2 -0.562 57.3-164.0 -77.2 135.4 -1.1 54.5 25.1 43 44 A K + 0 0 169 -2,-0.3 -1,-0.1 -6,-0.1 44,-0.1 0.678 56.4 108.9 -86.2 -18.5 0.1 50.9 25.1 44 45 A a + 0 0 57 -7,-0.1 2,-0.1 2,-0.1 -7,-0.1 -0.863 51.2 25.9-132.2 153.8 1.8 51.4 21.7 45 46 A P S S- 0 0 54 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.661 75.9-138.1 -85.3-178.5 4.2 51.6 20.0 46 47 A L - 0 0 14 -9,-0.1 63,-2.1 -2,-0.1 2,-0.3 -0.739 17.1-170.2-111.3 147.3 7.0 49.8 22.0 47 48 A S E -GI 36 108D 0 -11,-2.7 -11,-1.8 -2,-0.3 2,-0.4 -0.873 36.8 -95.8-125.0 166.8 10.6 50.5 22.7 48 49 A V E +G 35 0D 0 59,-2.5 119,-1.6 -2,-0.3 2,-0.3 -0.670 50.8 173.2 -82.5 127.5 13.2 48.4 24.3 49 50 A V E -GJ 34 166D 7 -15,-2.6 -15,-3.2 -2,-0.4 2,-0.5 -0.876 34.0-108.7-132.6 160.6 13.6 49.0 28.1 50 51 A Q E -GJ 33 165D 8 115,-2.0 115,-0.5 -2,-0.3 -17,-0.3 -0.829 22.8-145.0 -89.7 129.4 15.5 47.6 31.1 51 52 A D E > -G 32 0D 32 -19,-2.7 3,-0.7 -2,-0.5 -19,-0.5 -0.839 8.2-160.1 -88.5 115.2 13.4 45.7 33.6 52 53 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.579 81.2 58.0 -73.4 -7.5 15.0 46.5 37.0 53 54 A F T 3 S- 0 0 175 -21,-0.1 2,-0.3 1,-0.1 -22,-0.1 0.553 112.2 -3.8-104.4 -12.0 13.4 43.5 38.7 54 55 A D S < S- 0 0 78 -3,-0.7 -22,-2.8 -22,-0.1 -3,-0.2 -0.929 86.6 -71.2-165.5-177.0 14.5 40.5 36.8 55 56 A N - 0 0 69 -2,-0.3 -22,-0.7 -24,-0.2 -34,-0.4 0.422 69.6-141.2 -75.8 0.8 16.4 39.1 33.8 56 57 A G B -h 33 0D 13 -24,-0.3 -1,-0.2 -36,-0.1 -22,-0.2 -0.401 37.8 -29.0 81.2-150.2 13.8 40.3 31.4 57 58 A E - 0 0 80 -24,-3.2 -36,-0.4 -36,-0.1 -24,-0.3 -0.726 69.6 -88.7-111.8 154.7 12.5 38.6 28.3 58 59 A P - 0 0 24 0, 0.0 25,-2.7 0, 0.0 2,-0.4 -0.368 40.3-161.1 -68.5 142.7 14.2 36.2 25.9 59 60 A I E -DK 19 82D 0 -40,-2.8 -40,-2.4 23,-0.3 2,-0.4 -0.936 4.5-159.1-126.3 140.0 16.1 37.6 22.9 60 61 A I E - K 0 81D 17 21,-2.6 21,-1.9 -2,-0.4 2,-0.4 -0.978 7.7-147.9-120.9 134.0 17.2 35.9 19.7 61 62 A F E - K 0 80D 0 -44,-0.5 -45,-2.8 -2,-0.4 2,-0.4 -0.813 12.8-161.3 -97.1 140.7 20.0 37.0 17.4 62 63 A S E - K 0 79D 18 17,-2.4 17,-2.9 -2,-0.4 52,-0.1 -0.982 16.8-121.8-124.0 137.8 19.7 36.4 13.6 63 64 A A E - K 0 78D 37 -2,-0.4 15,-0.1 15,-0.2 51,-0.1 -0.411 7.5-157.1 -77.4 148.7 22.5 36.4 11.1 64 65 A I S S+ 0 0 32 13,-0.6 2,-0.2 -2,-0.1 51,-0.1 0.891 84.8 34.2 -90.0 -46.4 22.6 38.7 8.1 65 66 A K S S- 0 0 137 1,-0.1 2,-0.3 49,-0.1 49,-0.0 -0.539 109.5 -81.7 -94.4 169.1 25.0 36.5 6.0 66 67 A N - 0 0 158 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.1 -0.582 44.5-165.7 -70.9 126.7 25.0 32.7 6.2 67 68 A V > - 0 0 43 -2,-0.3 3,-1.3 1,-0.1 -52,-0.1 -0.921 3.9-164.5-119.9 103.3 27.1 31.8 9.2 68 69 A K T 3 S+ 0 0 200 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.847 87.6 41.9 -63.8 -40.0 27.9 28.1 8.9 69 70 A D T 3 S- 0 0 78 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.430 102.2-131.1 -87.5 1.3 29.0 27.4 12.5 70 71 A N < + 0 0 69 -3,-1.3 -55,-1.9 1,-0.2 2,-0.5 0.662 56.5 145.5 62.4 18.8 26.1 29.5 13.8 71 72 A I B -C 14 0C 30 -57,-0.2 2,-0.4 -67,-0.0 -57,-0.2 -0.767 48.5-133.4 -97.7 131.3 28.4 31.5 16.1 72 73 A V - 0 0 0 -59,-2.8 -67,-2.8 -2,-0.5 -59,-0.4 -0.666 31.0-164.0 -78.9 127.3 27.8 35.2 16.9 73 74 A R B > -A 4 0A 70 -2,-0.4 3,-1.0 -69,-0.3 54,-0.4 -0.758 24.9 -83.0-118.9 159.9 31.1 37.0 16.6 74 75 A E T 3 S+ 0 0 50 -71,-2.8 54,-0.2 -2,-0.3 3,-0.1 -0.286 105.0 2.7 -59.6 134.7 32.4 40.4 17.8 75 76 A S T 3 S+ 0 0 50 52,-2.5 2,-0.5 1,-0.2 -1,-0.2 0.777 91.1 132.4 64.4 30.9 31.7 43.5 15.6 76 77 A V < - 0 0 52 -3,-1.0 51,-0.4 51,-0.3 -1,-0.2 -0.964 62.0-112.2-113.9 129.5 29.5 41.7 13.0 77 78 A D + 0 0 8 -2,-0.5 -13,-0.6 49,-0.1 2,-0.3 -0.321 49.4 162.3 -60.5 137.9 26.2 43.3 12.0 78 79 A L E -KL 63 125D 0 47,-2.1 47,-2.7 -15,-0.1 2,-0.3 -0.940 36.7-108.9-149.9 169.4 23.3 41.2 13.2 79 80 A N E -K 62 0D 5 -17,-2.9 -17,-2.4 -2,-0.3 2,-0.4 -0.791 27.3-161.6-103.9 149.7 19.6 41.3 13.8 80 81 A V E +K 61 0D 3 43,-0.4 14,-3.1 -2,-0.3 2,-0.3 -0.985 14.7 162.8-133.0 135.6 18.0 41.2 17.3 81 82 A K E -KM 60 93D 66 -21,-1.9 -21,-2.6 -2,-0.4 2,-0.4 -0.989 37.7-112.7-145.1 158.3 14.4 40.4 18.4 82 83 A F E -K 59 0D 1 10,-2.2 2,-1.5 -2,-0.3 -23,-0.3 -0.777 23.2-139.0 -83.6 136.7 12.4 39.5 21.5 83 84 A N S S+ 0 0 79 -25,-2.7 2,-0.3 -2,-0.4 -24,-0.1 -0.573 70.3 98.4 -95.3 67.6 11.0 35.9 21.3 84 85 A I S S- 0 0 36 -2,-1.5 2,-0.4 -27,-0.1 8,-0.1 -0.933 75.8-108.2-139.3 170.3 7.7 37.0 22.8 85 86 A T - 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