==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-OCT-10 3P92 . COMPND 2 MOLECULE: PRSS3 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.SALAMEH,A.S.SOARES,RADISKY E.S. . 282 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1.1 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 . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 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 . 6 2 2 5 2 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 1 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 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 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.9 10.3 -13.4 12.9 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.850 360.0 7.4 -99.5 129.7 13.9 -14.8 12.8 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.703 103.1 111.3 79.4 18.6 14.4 -18.6 13.0 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.002 59.9-114.1-101.2-151.4 10.7 -19.5 12.8 5 20 A Y E -B 137 0B 103 132,-2.2 132,-3.0 -3,-0.1 2,-0.3 -0.947 35.7 -83.2-147.8 158.3 8.5 -21.2 10.3 6 21 A T E -B 136 0B 51 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.558 50.1-123.7 -69.8 125.3 5.5 -20.4 8.1 7 22 A a - 0 0 4 128,-2.3 2,-0.1 -2,-0.3 3,-0.1 -0.332 32.2 -93.9 -62.5 149.4 2.3 -20.6 10.1 8 23 A E > - 0 0 159 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.450 63.0 -82.7 -59.7 136.8 -0.5 -22.9 8.8 9 24 A E T 3 S- 0 0 121 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.210 105.3 -13.0 -54.1 124.9 -2.8 -20.7 6.7 10 25 A N T 3 S+ 0 0 18 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.664 93.6 128.5 57.4 22.2 -5.3 -18.8 8.8 11 26 A S S < S+ 0 0 58 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.549 70.9 53.7 -79.7 -8.5 -4.5 -20.9 11.9 12 27 A L > + 0 0 10 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.701 68.3 170.1-119.3 73.3 -4.0 -17.7 13.9 13 28 A P T 3 S+ 0 0 25 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.631 72.7 60.2 -68.9 -11.3 -7.3 -16.0 13.2 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.542 80.9 104.8 -87.3 -13.7 -6.6 -13.3 15.9 15 30 A Q E < -K 28 0C 4 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.566 50.5-176.2 -74.8 127.8 -3.5 -12.1 14.1 16 31 A V E -K 27 0C 1 11,-2.3 11,-1.2 -2,-0.4 2,-0.4 -0.837 21.4-135.1-119.7 160.4 -3.8 -8.7 12.3 17 32 A S E -KL 26 49C 1 32,-2.3 32,-3.2 -2,-0.3 2,-0.5 -0.945 14.4-144.4-108.1 132.1 -1.6 -6.6 10.1 18 33 A L E -KL 25 48C 0 7,-2.9 6,-2.6 -2,-0.4 7,-1.0 -0.903 24.4-166.6 -97.1 126.8 -1.5 -2.8 10.6 19 34 A N E +KL 23 47C 21 28,-2.8 28,-2.4 -2,-0.5 2,-0.3 -0.944 29.6 157.0-127.1 126.9 -1.1 -1.1 7.3 20 37 A S S S- 0 0 56 2,-2.3 2,-1.8 -2,-0.4 -2,-0.0 -0.784 96.3 -31.9-144.0 96.9 -0.2 2.5 6.3 21 38 A G S S- 0 0 85 -2,-0.3 2,-0.3 3,-0.0 -2,-0.1 -0.488 142.1 -0.0 80.4 -65.3 1.2 2.4 2.8 22 39 A S S S- 0 0 51 -2,-1.8 -2,-2.3 -4,-0.1 2,-0.1 -0.859 104.0 -61.3-139.5 176.1 2.5 -1.0 3.7 23 40 A H E +K 19 0C 14 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.423 56.0 157.1 -58.0 129.6 2.5 -3.5 6.6 24 41 A F E + 0 0 5 -6,-2.6 218,-1.5 1,-0.5 151,-0.3 0.552 58.7 3.6-133.4 -16.0 4.4 -1.8 9.5 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-2.9 216,-0.2 -1,-0.5 -0.957 63.5-123.9-160.2 164.3 3.2 -3.6 12.8 26 43 A G E -K 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.494 22.4-177.0-103.9-176.8 1.0 -6.4 14.0 27 44 A G E -K 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.949 22.1-117.9-166.1 173.9 -1.9 -6.5 16.4 28 45 A S E -KM 15 36C 1 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.995 20.5-129.8-129.4 130.7 -4.3 -9.0 18.1 29 46 A L E + M 0 35C 0 -15,-2.5 74,-2.1 -2,-0.4 6,-0.2 -0.659 32.7 165.7 -79.6 120.1 -8.1 -9.0 17.7 30 47 A I E + 0 0 21 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.519 65.0 6.7-115.8 -10.4 -9.6 -9.2 21.2 31 48 A S E > S- M 0 34C 22 3,-1.4 3,-0.6 70,-0.1 -1,-0.2 -0.939 89.6 -86.1-155.3 176.3 -13.3 -8.3 20.4 32 49 A E T 3 S+ 0 0 109 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.827 127.8 21.5 -55.2 -32.8 -15.4 -7.7 17.4 33 50 A Q T 3 S+ 0 0 51 60,-0.2 57,-2.7 58,-0.1 2,-0.4 0.303 112.3 79.1-121.8 9.1 -14.4 -4.1 17.2 34 51 A W E < -MN 31 89C 4 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.4 -0.979 46.1-173.2-133.9 137.9 -11.1 -3.9 19.2 35 52 A V E -MN 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.950 16.1-142.4-124.0 138.5 -7.4 -4.7 18.5 36 53 A V E +MN 28 87C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.2 -0.857 35.4 145.8 -97.6 135.5 -4.4 -4.7 20.9 37 54 A S E - N 0 86C 0 49,-2.6 49,-2.1 -2,-0.4 2,-0.3 -0.760 48.8 -69.9-146.2-165.0 -1.0 -3.4 19.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.2 -0.771 31.2-130.8 -98.3 142.3 2.1 -1.5 20.9 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.812 107.5 62.0 -57.7 -31.6 2.1 2.2 21.7 40 57 A H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 41,-0.1 201,-0.1 0.620 92.5 66.6 -76.8 -5.3 5.2 2.7 19.6 41 58 A b G < S+ 0 0 0 -3,-1.6 -1,-0.3 200,-0.1 -2,-0.2 0.350 76.6 136.7 -86.6 3.8 3.1 1.6 16.6 42 59 A Y < + 0 0 84 -3,-1.7 2,-0.3 220,-0.1 -3,-0.0 -0.301 19.5 158.0 -57.8 130.2 1.0 4.7 16.9 43 60 A K - 0 0 56 3,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.925 48.8-118.7-137.2 162.4 0.0 6.6 13.7 44 61 A T S S+ 0 0 91 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.780 102.9 31.8 -74.3 -26.2 -2.9 9.0 13.3 45 62 A R S S+ 0 0 193 2,-0.0 2,-0.4 24,-0.0 -1,-0.2 -0.999 70.6 168.5-131.9 132.7 -4.5 6.8 10.6 46 63 A I - 0 0 7 -2,-0.4 21,-2.9 21,-0.2 2,-0.5 -0.999 24.1-147.4-142.1 135.2 -4.2 3.0 10.4 47 64 A Q E -LO 19 66C 48 -28,-2.4 -28,-2.8 -2,-0.4 2,-0.5 -0.940 19.2-145.4-100.6 126.1 -5.9 0.3 8.3 48 65 A V E -LO 18 65C 0 17,-2.7 17,-2.7 -2,-0.5 2,-0.6 -0.799 8.4-157.9 -92.1 128.1 -6.3 -3.0 10.1 49 66 A R E -LO 17 64C 54 -32,-3.2 -32,-2.3 -2,-0.5 3,-0.3 -0.938 13.7-176.9-113.0 112.3 -6.1 -6.1 7.8 50 67 A L E + O 0 63C 1 13,-2.9 13,-2.0 -2,-0.6 -34,-0.1 -0.647 60.4 30.8-103.7 156.3 -7.7 -9.2 9.2 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.691 83.7 150.7 72.9 19.4 -7.8 -12.7 7.8 52 70 A E + 0 0 11 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.574 22.0 152.0 -86.9 146.4 -4.4 -12.4 6.1 53 71 A H S S+ 0 0 2 1,-0.3 82,-1.3 4,-0.2 2,-0.8 0.437 83.0 30.2-124.3 -64.8 -1.9 -15.1 5.4 54 72 A N B > S-Q 134 0D 29 80,-0.2 3,-1.0 3,-0.2 -1,-0.3 -0.878 72.3-163.2 -92.4 108.8 0.1 -13.8 2.3 55 73 A I T 3 S+ 0 0 25 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.575 85.0 53.6 -72.7 -6.9 -0.1 -10.0 2.7 56 74 A K T 3 S+ 0 0 139 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.523 105.0 56.2-100.4 -9.6 0.9 -9.4 -0.9 57 75 A V S < S- 0 0 79 -3,-1.0 2,-0.4 76,-0.2 -4,-0.2 -0.979 81.7-118.4-131.0 135.4 -1.8 -11.6 -2.6 58 76 A L + 0 0 146 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.595 34.9 168.0 -69.6 122.3 -5.6 -11.6 -2.4 59 77 A E - 0 0 62 -2,-0.4 -1,-0.2 -5,-0.1 -7,-0.0 0.592 50.1-113.2-112.1 -21.3 -6.7 -15.0 -1.0 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.410 97.6 84.1 105.6 -0.0 -10.3 -14.2 -0.4 61 79 A N + 0 0 56 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.354 64.9 116.1-108.7 3.6 -10.5 -14.3 3.5 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.321 41.9-169.4 -78.5 151.3 -9.3 -10.8 4.1 63 81 A Q E -O 50 0C 31 -13,-2.0 -13,-2.9 -2,-0.1 2,-0.6 -0.964 7.1-160.5-134.6 127.5 -11.2 -7.9 5.7 64 82 A F E +O 49 0C 92 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.928 17.2 170.9-109.5 118.6 -9.7 -4.4 5.6 65 83 A I E -O 48 0C 13 -17,-2.7 -17,-2.7 -2,-0.6 2,-0.1 -0.986 27.3-130.3-132.8 124.5 -11.2 -2.0 8.2 66 84 A N E -O 47 0C 91 -2,-0.4 25,-2.4 -19,-0.2 -19,-0.2 -0.405 30.7-106.8 -71.2 145.6 -9.9 1.5 9.0 67 85 A A E -P 90 0C 22 -21,-2.9 23,-0.2 23,-0.2 -21,-0.2 -0.536 28.0-173.0 -68.9 134.3 -9.2 2.5 12.6 68 86 A A E S+ 0 0 69 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.686 74.7 15.7 -96.2 -32.2 -11.8 4.9 14.1 69 87 A K E -P 89 0C 98 20,-1.4 20,-2.8 2,-0.0 2,-0.4 -0.994 60.7-165.7-144.7 142.4 -10.0 5.5 17.4 70 88 A I E -P 88 0C 29 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.979 11.6-174.2-133.8 117.4 -6.4 4.9 18.4 71 89 A I E -P 87 0C 33 16,-3.0 16,-2.5 -2,-0.4 2,-0.2 -0.935 8.2-159.5-126.8 105.5 -5.6 5.0 22.2 72 90 A R E -P 86 0C 95 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.528 40.7 -92.5 -76.2 146.6 -2.1 4.8 23.6 73 91 A H > - 0 0 22 12,-2.4 3,-1.8 10,-0.3 -1,-0.1 -0.385 35.8-128.4 -55.9 135.8 -1.7 3.8 27.3 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.685 106.2 50.2 -69.2 -15.2 -1.6 7.1 29.2 75 93 A K T 3 S+ 0 0 146 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.216 76.6 136.3-105.0 12.6 1.6 6.1 31.1 76 94 A Y < - 0 0 37 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.394 39.0-160.0 -56.2 129.8 3.5 5.1 27.9 77 95 A N > - 0 0 70 5,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.976 9.7-158.5-119.1 115.9 7.0 6.5 28.1 78 96 A R T 4 S+ 0 0 152 -2,-0.5 186,-0.5 1,-0.2 -1,-0.1 0.566 90.4 45.7 -74.7 -8.4 8.8 6.7 24.7 79 97 A D T 4 S+ 0 0 96 184,-0.1 -1,-0.2 185,-0.1 184,-0.0 0.832 123.9 28.2-101.0 -41.5 12.3 6.7 26.3 80 98 A T T 4 S- 0 0 74 2,-0.1 77,-0.2 76,-0.0 -2,-0.2 0.647 97.9-133.9 -86.1 -18.3 12.1 3.9 28.9 81 99 A L >< + 0 0 9 -4,-2.0 3,-0.7 1,-0.2 -3,-0.1 0.556 46.6 161.8 70.7 14.9 9.5 2.1 26.8 82 100 A D T 3 + 0 0 49 -5,-0.2 -5,-1.9 1,-0.2 -1,-0.2 -0.333 61.5 12.5 -61.1 141.7 7.4 1.5 30.0 83 101 A N T 3 S- 0 0 20 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.896 75.8-179.5 56.2 48.4 3.7 0.6 29.3 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 -8,-0.1 -1,-0.2 -0.565 35.4 113.3 -81.6 80.7 4.1 -0.1 25.6 85 103 A I + 0 0 0 -2,-1.8 -12,-2.4 -47,-0.2 2,-0.3 -0.988 36.8 179.6-153.5 150.1 0.5 -1.0 24.7 86 104 A M E -NP 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.979 17.5-139.1-151.1 149.7 -2.3 0.6 22.6 87 105 A L E -NP 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.5 -0.952 10.9-160.3-115.7 141.4 -5.9 -0.1 21.6 88 106 A I E -NP 35 70C 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.5 -0.983 6.6-152.0-118.6 124.3 -7.4 0.4 18.2 89 107 A K E -NP 34 69C 50 -20,-2.8 -21,-3.3 -2,-0.5 -20,-1.4 -0.863 20.6-130.6 -93.3 124.0 -11.2 0.6 17.7 90 108 A L E - 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