==== 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 3S8J . COMPND 2 MOLECULE: LATEX SERINE PROTEINASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR A.GARCIA-PINO . 363 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 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 . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 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 . 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 . 22 3 0 6 3 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 1 1 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 2 A A 0 0 124 0, 0.0 73,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.3 -5.2 -5.4 -19.4 2 3 A P - 0 0 60 0, 0.0 73,-0.0 0, 0.0 74,-0.0 -0.189 360.0 -98.6 -50.5 133.4 -4.3 -5.8 -15.7 3 4 A K - 0 0 55 70,-0.1 71,-2.1 1,-0.1 2,-0.1 -0.205 49.4-100.9 -53.1 147.0 -2.4 -9.0 -15.1 4 5 A P B -A 73 0A 45 0, 0.0 2,-0.4 0, 0.0 69,-0.3 -0.347 28.4-109.9 -72.9 152.8 -4.8 -11.8 -13.8 5 6 A I - 0 0 0 67,-3.0 8,-3.8 8,-0.3 2,-0.4 -0.697 38.8-153.6 -80.3 131.4 -5.2 -12.9 -10.2 6 7 A V B -B 12 0B 39 -2,-0.4 172,-0.4 6,-0.3 5,-0.1 -0.880 7.0-134.8-114.8 141.1 -3.7 -16.4 -9.6 7 8 A D > - 0 0 2 4,-3.3 3,-2.1 -2,-0.4 172,-0.2 -0.202 43.7 -90.0 -76.7 177.2 -4.5 -19.1 -7.1 8 9 A I T 3 S+ 0 0 60 170,-2.3 171,-0.1 1,-0.3 -1,-0.1 0.761 127.1 61.0 -63.1 -23.2 -1.8 -21.0 -5.3 9 10 A D T 3 S- 0 0 127 169,-0.3 -1,-0.3 2,-0.2 170,-0.1 0.347 117.7-111.4 -87.8 6.6 -1.8 -23.5 -8.1 10 11 A G S < S+ 0 0 48 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.422 80.7 125.3 80.7 -3.1 -0.8 -20.9 -10.6 11 12 A K - 0 0 41 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.694 69.3 -93.7 -89.7 144.7 -4.1 -21.1 -12.3 12 13 A P B -B 6 0B 54 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.124 33.1-117.3 -57.5 147.1 -6.2 -17.9 -12.7 13 14 A V - 0 0 0 -8,-3.8 59,-2.3 59,-0.4 2,-0.3 -0.694 36.4-164.2 -86.9 140.2 -8.9 -16.8 -10.1 14 15 A L B > -C 71 0C 49 -2,-0.3 3,-0.7 57,-0.3 47,-0.4 -0.864 21.2-111.6-126.0 155.1 -12.4 -16.7 -11.5 15 16 A Y T 3 S+ 0 0 21 55,-1.9 47,-0.2 -2,-0.3 3,-0.1 -0.520 99.3 34.4 -74.7 155.9 -15.8 -15.2 -10.6 16 17 A G T 3 S+ 0 0 61 45,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.329 97.5 101.3 85.5 -8.5 -18.5 -17.7 -9.7 17 18 A V S < S- 0 0 46 -3,-0.7 44,-0.5 44,-0.1 2,-0.3 -0.811 73.7-107.3-115.6 153.8 -16.2 -20.2 -8.0 18 19 A D + 0 0 34 -2,-0.3 163,-2.1 42,-0.1 164,-0.3 -0.579 40.5 171.2 -80.6 132.4 -15.4 -21.0 -4.4 19 20 A Y E -DE 59 180D 0 40,-2.2 40,-2.5 -2,-0.3 2,-0.5 -0.893 30.6-133.8-128.6 162.5 -12.0 -20.0 -2.9 20 21 A F E - E 0 179D 35 159,-1.9 159,-2.3 -2,-0.3 2,-0.7 -0.989 15.8-152.5-107.5 130.9 -10.4 -19.8 0.4 21 22 A V E + E 0 178D 0 -2,-0.5 12,-0.4 36,-0.4 2,-0.3 -0.908 29.9 175.7-100.9 109.1 -8.5 -16.5 1.1 22 23 A V E - E 0 177D 16 155,-2.4 155,-2.4 -2,-0.7 10,-0.3 -0.792 40.4 -86.1-122.7 152.6 -5.8 -17.6 3.5 23 24 A S E - E 0 176D 6 8,-1.2 153,-0.2 -2,-0.3 5,-0.1 -0.328 37.3-132.6 -58.3 136.7 -2.8 -15.9 5.2 24 25 A A S S+ 0 0 28 151,-2.4 2,-0.4 112,-0.1 -1,-0.2 0.578 83.1 90.0 -70.3 -9.0 0.1 -16.1 2.7 25 26 A I - 0 0 65 150,-0.3 3,-0.5 3,-0.2 2,-0.5 -0.768 69.5-144.9 -95.3 136.5 2.3 -17.3 5.6 26 27 A W S S+ 0 0 247 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.839 83.2 11.3-102.8 130.6 2.6 -21.0 6.4 27 28 A G S S+ 0 0 69 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.590 131.6 34.9 78.9 11.7 3.0 -22.1 10.0 28 29 A A S S+ 0 0 58 -3,-0.5 -3,-0.2 2,-0.2 -1,-0.2 -0.984 77.6 63.3-176.0 171.1 2.1 -18.6 11.1 29 30 A G S S- 0 0 33 -2,-0.3 -4,-0.1 -3,-0.1 -5,-0.1 0.594 100.0 -79.0 75.1 13.2 0.1 -15.4 10.5 30 31 A G - 0 0 13 22,-0.4 -2,-0.2 -7,-0.1 23,-0.2 -0.181 49.7 -89.9 89.3 176.5 -3.3 -16.9 11.0 31 32 A G - 0 0 1 20,-4.5 -8,-1.2 1,-0.3 24,-0.3 0.128 56.9 -58.7-102.0-144.0 -5.6 -19.0 8.7 32 33 A G - 0 0 0 22,-2.7 19,-3.2 -10,-0.3 2,-0.3 0.114 64.9 -62.0 -90.7-151.1 -8.3 -18.0 6.3 33 34 A L E +Fg 50 56D 0 22,-0.8 24,-3.1 -12,-0.4 17,-0.2 -0.767 49.5 141.3-115.7 144.0 -11.5 -16.0 6.5 34 35 A T E -F 49 0D 25 15,-3.3 15,-2.3 -2,-0.3 2,-0.3 -0.675 40.4-101.0-146.8-165.4 -14.8 -16.3 8.3 35 36 A V E +F 48 0D 24 13,-0.3 2,-0.3 -2,-0.2 13,-0.2 -0.827 32.1 174.0-125.1 174.3 -17.4 -14.2 10.1 36 37 A Y E -F 47 0D 43 11,-1.2 11,-2.9 -2,-0.3 7,-0.0 -0.971 23.5-113.5-175.2 162.2 -18.1 -13.6 13.8 37 38 A G - 0 0 10 -2,-0.3 7,-0.2 9,-0.2 6,-0.1 -0.023 49.4 -73.7 -97.6-163.0 -20.2 -11.5 16.0 38 39 A P - 0 0 7 0, 0.0 124,-0.2 0, 0.0 3,-0.1 0.784 50.8-128.1 -67.0 -28.0 -19.6 -8.7 18.6 39 40 A G S S+ 0 0 27 1,-0.8 2,-0.1 3,-0.7 4,-0.1 0.124 82.9 111.9 90.0 -21.0 -18.2 -11.0 21.2 40 41 A N S S- 0 0 68 2,-0.1 -1,-0.8 1,-0.1 -3,-0.1 -0.429 102.9 -94.1 -65.5 158.9 -20.7 -9.3 23.3 41 42 A K S S+ 0 0 116 -3,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.827 103.2 112.9 -49.2 -25.7 -23.4 -11.7 24.2 42 43 A K - 0 0 38 1,-0.1 -3,-0.7 -5,-0.0 -2,-0.1 -0.188 57.6-161.8 -50.4 129.8 -24.9 -10.2 21.1 43 44 A K + 0 0 76 -6,-0.1 -1,-0.1 -5,-0.1 45,-0.1 0.866 52.2 95.5 -81.6 -41.9 -25.0 -12.8 18.3 44 45 A a + 0 0 57 -7,-0.2 2,-0.1 2,-0.1 -1,-0.1 -0.789 52.0 33.6-123.5 160.5 -25.4 -10.3 15.4 45 46 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 54,-0.0 0.536 68.6-134.9 -85.4-178.8 -24.3 -8.7 13.2 46 47 A L - 0 0 20 -2,-0.1 63,-1.9 -9,-0.1 2,-0.3 -0.782 14.4-164.8-101.7 140.2 -21.3 -10.5 11.7 47 48 A S E -FH 36 108D 0 -11,-2.9 -11,-1.2 -2,-0.4 2,-0.4 -0.869 34.3-101.0-116.3 154.2 -18.0 -9.0 10.8 48 49 A V E +F 35 0D 0 59,-2.3 119,-1.4 -2,-0.3 2,-0.3 -0.643 50.8 175.9 -80.7 129.9 -15.4 -10.6 8.5 49 50 A V E -FI 34 166D 1 -15,-2.3 -15,-3.3 -2,-0.4 2,-0.5 -0.911 30.4-115.2-135.6 155.3 -12.6 -12.1 10.6 50 51 A Q E -F 33 0D 0 115,-1.6 115,-0.4 -2,-0.3 -17,-0.3 -0.809 27.7-127.5 -96.2 133.6 -9.5 -14.2 10.1 51 52 A D - 0 0 10 -19,-3.2 -20,-4.5 -2,-0.5 159,-0.1 -0.589 15.5-132.5 -74.8 136.2 -9.4 -17.7 11.6 52 53 A P S S- 0 0 12 0, 0.0 -22,-0.4 0, 0.0 158,-0.2 0.729 91.2 -9.8 -61.3 -24.5 -6.3 -18.2 13.7 53 54 A F S S+ 0 0 135 -23,-0.2 -26,-0.1 1,-0.1 -25,-0.1 0.542 109.6 79.8-135.5 -65.1 -5.5 -21.6 11.9 54 55 A D S S- 0 0 19 -23,-0.2 -22,-2.7 156,-0.2 -3,-0.2 -0.044 81.6-108.8 -63.4 159.0 -8.1 -23.1 9.6 55 56 A N - 0 0 62 -24,-0.3 -22,-0.8 1,-0.2 -34,-0.2 0.558 53.8-150.3 -61.6 -12.6 -8.7 -22.1 6.0 56 57 A G B -g 33 0D 0 -24,-0.3 -22,-0.2 -36,-0.1 -1,-0.2 -0.289 37.7 -20.2 67.6-157.6 -12.0 -20.6 7.0 57 58 A E - 0 0 23 -24,-3.1 -36,-0.4 1,-0.1 -24,-0.3 -0.355 67.1 -95.0 -89.7 162.6 -15.0 -20.4 4.7 58 59 A P - 0 0 17 0, 0.0 25,-2.7 0, 0.0 2,-0.4 -0.529 41.3-159.1 -73.6 141.6 -15.5 -20.5 0.9 59 60 A I E -DJ 19 82D 0 -40,-2.5 -40,-2.2 23,-0.3 2,-0.5 -0.956 8.3-158.4-130.5 141.3 -15.6 -17.1 -0.8 60 61 A I E - J 0 81D 21 21,-3.5 21,-1.6 -2,-0.4 2,-0.2 -0.975 4.5-156.4-124.8 120.4 -17.1 -16.1 -4.1 61 62 A F E - J 0 80D 0 -44,-0.5 -45,-1.8 -2,-0.5 2,-0.3 -0.581 11.6-166.5 -81.6 155.0 -16.1 -13.0 -6.0 62 63 A S E - J 0 79D 24 17,-2.0 17,-2.9 -2,-0.2 52,-0.1 -0.987 22.0-109.3-145.9 141.7 -18.5 -11.5 -8.5 63 64 A A E - J 0 78D 32 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.350 7.1-156.9 -73.1 140.0 -17.9 -8.9 -11.2 64 65 A I S S+ 0 0 29 13,-0.9 2,-0.4 1,-0.2 51,-0.3 0.864 94.2 33.8 -74.1 -41.1 -19.2 -5.3 -11.1 65 66 A K S S- 0 0 74 12,-0.3 -1,-0.2 49,-0.1 49,-0.0 -0.933 106.4 -94.7-111.1 141.7 -18.8 -5.3 -14.9 66 67 A N - 0 0 110 -2,-0.4 2,-0.5 -3,-0.1 -2,-0.1 -0.253 38.2-152.5 -50.7 128.0 -19.4 -8.4 -17.1 67 68 A V - 0 0 38 1,-0.2 3,-0.4 -4,-0.0 -1,-0.1 -0.944 5.3-148.5-110.6 121.3 -16.0 -10.1 -17.7 68 69 A K S S+ 0 0 104 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.912 98.3 29.7 -55.1 -53.4 -15.8 -12.1 -21.0 69 70 A D S S- 0 0 75 2,-0.1 -1,-0.3 -55,-0.0 -2,-0.0 0.502 105.8-125.8 -86.4 -6.5 -13.4 -14.8 -19.9 70 71 A N + 0 0 87 -3,-0.4 -55,-1.9 1,-0.2 2,-0.5 0.733 58.5 146.4 66.7 28.3 -14.7 -14.6 -16.3 71 72 A I B -C 14 0C 31 -57,-0.2 2,-0.3 -67,-0.0 -57,-0.3 -0.820 49.5-126.4-102.6 129.4 -11.2 -14.0 -14.8 72 73 A V - 0 0 0 -59,-2.3 -67,-3.0 -2,-0.5 -59,-0.4 -0.551 34.4-166.7 -69.5 129.7 -10.5 -11.8 -11.8 73 74 A R B > -A 4 0A 61 -2,-0.3 3,-1.1 -69,-0.3 54,-0.4 -0.795 25.4 -79.0-122.4 163.3 -7.9 -9.2 -12.5 74 75 A E T 3 S+ 0 0 48 -71,-2.1 54,-0.2 -2,-0.3 3,-0.1 -0.216 104.8 2.8 -62.2 140.0 -5.7 -6.7 -10.6 75 76 A S T 3 S+ 0 0 54 52,-3.4 2,-0.4 1,-0.2 -1,-0.2 0.762 91.3 136.6 61.4 28.5 -7.1 -3.5 -9.3 76 77 A V < - 0 0 56 -3,-1.1 51,-0.5 51,-0.3 2,-0.2 -0.922 59.1-115.2-108.3 134.9 -10.6 -4.1 -10.5 77 78 A D + 0 0 10 -2,-0.4 -13,-0.9 49,-0.1 -12,-0.3 -0.465 50.0 158.3 -67.4 130.1 -13.6 -3.3 -8.3 78 79 A L E -JK 63 125D 0 47,-2.0 47,-2.7 -2,-0.2 2,-0.3 -0.968 39.0-108.1-152.0 162.4 -15.5 -6.5 -7.4 79 80 A N E -J 62 0D 4 -17,-2.9 -17,-2.0 -2,-0.3 2,-0.4 -0.738 24.7-160.3 -94.1 143.8 -17.9 -8.0 -4.9 80 81 A V E +J 61 0D 1 43,-0.4 14,-3.1 -2,-0.3 2,-0.3 -0.975 15.0 168.1-121.1 137.8 -16.9 -10.6 -2.3 81 82 A K E -JL 60 93D 71 -21,-1.6 -21,-3.5 -2,-0.4 2,-0.3 -0.986 32.9-122.0-142.3 150.7 -19.3 -12.9 -0.5 82 83 A F E -J 59 0D 0 10,-1.0 2,-1.1 -2,-0.3 -23,-0.3 -0.718 21.5-135.9 -82.0 142.6 -19.0 -16.0 1.7 83 84 A N + 0 0 76 -25,-2.7 2,-0.3 -2,-0.3 -24,-0.0 -0.763 65.7 97.0-100.1 94.8 -20.8 -19.0 0.3 84 85 A I S S- 0 0 39 -2,-1.1 2,-0.6 -27,-0.1 8,-0.1 -0.969 75.2 -90.9-167.6 173.8 -22.3 -20.2 3.6 85 86 A T - 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