==== 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 3P95 . COMPND 2 MOLECULE: PRSS3 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.SALAMEH,A.S.SOARES,E.S.RADISKY . 282 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 61.7 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 . 26 9.2 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 . 1 0.4 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.0 10.3 -13.8 13.0 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.861 360.0 9.9-100.8 131.2 13.9 -15.2 12.8 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.672 103.5 110.3 77.1 15.8 14.3 -19.0 13.0 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.055 60.3-115.5 -99.6-149.6 10.7 -19.8 12.8 5 20 A Y E -B 137 0B 104 132,-2.3 132,-2.9 -3,-0.1 2,-0.4 -0.957 35.5 -83.1-149.5 162.2 8.4 -21.5 10.3 6 21 A T E -B 136 0B 49 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.551 49.6-124.1 -76.2 127.9 5.5 -20.6 8.1 7 22 A a - 0 0 4 128,-2.3 3,-0.1 -2,-0.4 128,-0.1 -0.381 32.6 -94.0 -63.2 151.7 2.3 -20.8 10.0 8 23 A E > - 0 0 154 1,-0.1 3,-2.1 2,-0.1 4,-0.3 -0.407 63.2 -83.3 -62.8 141.0 -0.5 -23.0 8.7 9 24 A E T 3 S- 0 0 110 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.253 105.2 -11.0 -60.4 125.8 -2.7 -20.8 6.7 10 25 A N T 3 S+ 0 0 19 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.661 93.9 127.0 60.2 22.1 -5.3 -18.9 8.8 11 26 A S S < S+ 0 0 53 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.557 70.9 53.1 -82.1 -8.9 -4.5 -21.0 11.8 12 27 A L > + 0 0 16 -4,-0.3 3,-2.2 87,-0.1 -1,-0.2 -0.709 69.2 170.3-118.6 74.4 -3.9 -17.9 13.9 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.642 72.3 61.0 -71.2 -11.5 -7.2 -16.2 13.1 14 29 A Y T 3 S+ 0 0 17 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.507 79.9 105.4 -83.0 -14.4 -6.5 -13.5 15.8 15 30 A Q E < -K 28 0C 4 -3,-2.2 36,-0.5 13,-0.2 37,-0.4 -0.600 49.8-177.0 -73.4 128.7 -3.4 -12.2 14.0 16 31 A V E -K 27 0C 0 11,-2.6 11,-1.3 -2,-0.4 2,-0.4 -0.847 20.9-136.4-121.2 159.7 -3.8 -8.9 12.2 17 32 A S E -KL 26 49C 1 32,-2.3 32,-3.0 -2,-0.3 2,-0.5 -0.949 13.7-143.5-109.8 133.6 -1.5 -6.8 10.1 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.7 -2,-0.4 7,-1.1 -0.895 25.2-168.1 -96.7 127.2 -1.4 -3.0 10.6 19 34 A N E +KL 23 47C 19 28,-2.6 28,-2.6 -2,-0.5 2,-0.3 -0.947 30.2 158.5-126.2 132.1 -1.0 -1.2 7.3 20 37 A S S S- 0 0 59 2,-2.6 2,-1.8 -2,-0.4 -2,-0.0 -0.778 96.3 -35.6-145.5 94.5 -0.1 2.3 6.4 21 38 A G S S+ 0 0 78 -2,-0.3 2,-0.3 3,-0.0 -2,-0.1 -0.358 142.3 10.1 82.8 -68.1 1.2 2.1 2.8 22 39 A S S S- 0 0 71 -2,-1.8 -2,-2.6 -4,-0.0 2,-0.2 -0.857 103.7 -72.3-132.3 166.6 2.8 -1.2 3.8 23 40 A H E +K 19 0C 6 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.511 53.6 161.4 -58.4 130.6 2.6 -3.6 6.6 24 41 A F E + 0 0 5 -6,-2.7 218,-1.7 1,-0.4 151,-0.3 0.542 58.1 3.9-130.6 -14.7 4.5 -2.0 9.6 25 42 A b E -K 18 0C 0 -7,-1.1 -7,-3.1 216,-0.2 -1,-0.4 -0.969 63.4-122.2-161.7 162.0 3.3 -3.8 12.7 26 43 A G E -K 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.451 24.0-178.6-100.0-176.9 1.2 -6.7 13.9 27 44 A G E -K 16 0C 0 -11,-1.3 -11,-2.6 -2,-0.2 2,-0.4 -0.957 22.3-118.6-167.8 174.4 -1.8 -6.8 16.3 28 45 A S E -KM 15 36C 1 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.996 20.2-129.3-131.9 130.7 -4.2 -9.2 17.9 29 46 A L E + M 0 35C 0 -15,-2.5 74,-2.1 -2,-0.4 6,-0.2 -0.663 31.8 167.1 -81.2 119.4 -8.0 -9.3 17.6 30 47 A I E + 0 0 21 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.538 65.5 3.2-110.6 -15.7 -9.5 -9.4 21.1 31 48 A S E > S- M 0 34C 23 3,-1.5 3,-0.7 70,-0.1 -1,-0.2 -0.930 89.2 -84.8-154.9 178.6 -13.1 -8.6 20.3 32 49 A E T 3 S+ 0 0 112 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.785 128.0 23.5 -58.3 -28.9 -15.2 -7.9 17.2 33 50 A Q T 3 S+ 0 0 52 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.336 111.8 75.3-119.6 3.0 -14.2 -4.3 17.2 34 51 A W E < -MN 31 89C 5 -3,-0.7 -4,-2.4 55,-0.2 -3,-1.5 -0.983 46.3-172.7-134.8 139.4 -10.9 -4.1 19.1 35 52 A V E -MN 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.954 16.0-142.3-124.5 139.3 -7.3 -4.9 18.4 36 53 A V E +MN 28 87C 1 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.857 34.6 147.4 -98.8 137.7 -4.3 -4.9 20.8 37 54 A S E - N 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.736 48.8 -70.3-146.9-166.4 -0.9 -3.7 19.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.771 31.6-131.6 -96.6 142.9 2.2 -1.9 20.8 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.820 107.6 62.8 -60.6 -30.5 2.2 1.9 21.6 40 57 A H G 3 S+ 0 0 13 1,-0.3 -1,-0.3 41,-0.1 201,-0.1 0.581 92.7 66.5 -75.2 -8.5 5.3 2.4 19.5 41 58 A b G < S+ 0 0 0 -3,-1.7 -1,-0.3 200,-0.1 -2,-0.2 0.301 77.0 136.4 -82.6 3.3 3.2 1.2 16.5 42 59 A Y < + 0 0 82 -3,-1.8 2,-0.3 220,-0.1 -3,-0.0 -0.309 20.4 158.9 -60.2 135.6 1.1 4.4 16.9 43 60 A K - 0 0 54 -2,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.935 48.8-117.4-142.0 159.9 0.1 6.3 13.7 44 61 A T S S+ 0 0 113 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.745 103.6 30.5 -68.8 -29.0 -2.8 8.7 13.3 45 62 A R S S+ 0 0 209 2,-0.0 2,-0.3 24,-0.0 -1,-0.2 -0.999 70.7 172.3-134.5 132.9 -4.3 6.5 10.6 46 63 A I - 0 0 7 -2,-0.4 21,-3.0 21,-0.2 2,-0.5 -0.998 22.5-149.1-141.3 136.4 -4.1 2.7 10.4 47 64 A Q E -LO 19 66C 46 -28,-2.6 -28,-2.6 -2,-0.3 2,-0.5 -0.928 19.8-146.8-100.8 125.9 -5.8 0.1 8.2 48 65 A V E -LO 18 65C 0 17,-2.7 17,-2.7 -2,-0.5 2,-0.6 -0.768 8.1-158.1 -92.8 129.2 -6.2 -3.2 10.0 49 66 A R E -LO 17 64C 52 -32,-3.0 -32,-2.3 -2,-0.5 3,-0.3 -0.937 13.6-177.1-116.0 112.7 -6.0 -6.2 7.8 50 67 A L E + O 0 63C 0 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.676 60.0 32.0-104.0 155.4 -7.6 -9.4 9.2 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.3 -38,-0.3 10,-0.3 0.722 83.9 151.7 74.5 18.7 -7.7 -12.9 7.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.2 -3,-0.3 -1,-0.2 -0.597 22.4 151.7 -86.9 147.8 -4.3 -12.6 6.1 53 71 A H S S+ 0 0 6 1,-0.4 82,-1.2 -2,-0.3 2,-0.7 0.448 82.8 30.2-124.6 -64.5 -1.7 -15.2 5.3 54 72 A N B > S-Q 134 0D 30 3,-0.2 3,-1.0 80,-0.2 -1,-0.4 -0.861 72.2-162.7 -95.8 110.1 0.2 -13.9 2.4 55 73 A I T 3 S+ 0 0 19 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.585 85.1 53.9 -74.7 -5.9 0.1 -10.1 2.8 56 74 A K T 3 S+ 0 0 137 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.486 105.0 55.2 -99.4 -13.5 1.0 -9.5 -0.9 57 75 A V S < S- 0 0 79 -3,-1.0 2,-0.5 76,-0.2 -4,-0.2 -0.994 81.8-120.6-125.7 133.7 -1.7 -11.6 -2.6 58 76 A L + 0 0 139 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.621 33.1 172.9 -71.2 123.7 -5.5 -11.5 -2.3 59 77 A E - 0 0 54 -2,-0.5 -1,-0.2 -5,-0.1 -7,-0.0 0.562 49.1-109.6-112.4 -12.1 -6.5 -14.9 -1.0 60 78 A G S S+ 0 0 65 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.405 100.6 81.9 98.6 0.7 -10.2 -14.3 -0.4 61 79 A N + 0 0 35 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.373 65.1 115.8-110.9 -0.9 -10.3 -14.4 3.4 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.341 42.3-168.4 -75.0 150.9 -9.1 -10.9 4.1 63 81 A Q E -O 50 0C 32 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.980 6.8-161.1-134.1 127.6 -11.0 -8.1 5.7 64 82 A F E +O 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 17.6 170.4-111.9 118.8 -9.6 -4.6 5.5 65 83 A I E -O 48 0C 13 -17,-2.7 -17,-2.7 -2,-0.6 2,-0.1 -0.992 28.0-130.3-136.2 122.6 -11.0 -2.2 8.2 66 84 A N E -O 47 0C 89 -2,-0.4 25,-2.4 -19,-0.3 -19,-0.2 -0.442 30.9-106.6 -71.6 146.8 -9.8 1.3 9.0 67 85 A A E -P 90 0C 23 -21,-3.0 23,-0.2 23,-0.2 -21,-0.2 -0.493 27.4-171.8 -70.9 134.1 -9.1 2.2 12.6 68 86 A A E S+ 0 0 60 21,-3.4 2,-0.3 1,-0.4 22,-0.2 0.700 75.7 16.3 -94.3 -31.0 -11.7 4.6 14.1 69 87 A K E -P 89 0C 80 20,-1.5 20,-2.6 2,-0.0 2,-0.4 -0.996 60.6-166.4-144.4 143.6 -9.8 5.2 17.4 70 88 A I E -P 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.964 13.1-175.9-135.9 116.1 -6.2 4.5 18.4 71 89 A I E -P 87 0C 42 16,-3.1 16,-2.5 -2,-0.4 2,-0.2 -0.919 9.3-159.3-127.4 108.5 -5.5 4.7 22.0 72 90 A R E -P 86 0C 100 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.519 41.0 -90.7 -79.5 150.8 -2.0 4.4 23.5 73 91 A H > - 0 0 17 12,-2.5 3,-1.9 10,-0.3 -1,-0.1 -0.367 36.8-128.1 -57.2 136.1 -1.6 3.4 27.2 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.689 106.3 49.9 -67.0 -18.1 -1.5 6.8 29.1 75 93 A K T 3 S+ 0 0 146 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.235 76.0 135.9-104.3 13.0 1.7 5.8 30.9 76 94 A Y < - 0 0 38 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.407 38.8-160.0 -55.8 132.7 3.6 4.7 27.8 77 95 A N > - 0 0 68 5,-2.0 4,-2.0 1,-0.1 5,-0.3 -0.979 9.8-157.7-121.0 115.4 7.1 6.1 28.0 78 96 A R T 4 S+ 0 0 155 -2,-0.5 186,-0.5 1,-0.2 -1,-0.1 0.544 90.6 45.5 -72.4 -9.1 8.9 6.3 24.7 79 97 A D T 4 S+ 0 0 89 184,-0.1 -1,-0.2 3,-0.1 184,-0.0 0.833 123.4 29.2-101.6 -38.6 12.4 6.3 26.2 80 98 A T T 4 S- 0 0 73 2,-0.1 77,-0.2 76,-0.0 -2,-0.2 0.645 98.0-134.3 -86.8 -18.8 12.1 3.5 28.8 81 99 A L >< + 0 0 7 -4,-2.0 3,-0.7 1,-0.2 -3,-0.2 0.541 47.5 160.0 70.7 13.5 9.5 1.7 26.7 82 100 A D T 3 + 0 0 48 -5,-0.3 -5,-2.0 1,-0.2 -1,-0.2 -0.347 60.7 13.4 -62.0 143.1 7.4 1.1 29.8 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.889 75.6 179.1 59.0 46.2 3.7 0.3 29.1 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 -46,-0.1 -1,-0.2 -0.515 35.4 111.0 -83.3 79.2 4.2 -0.4 25.5 85 103 A I - 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