==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 03-APR-09 3GYM . COMPND 2 MOLECULE: PROSTASIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.SPRAGGON,M.HORNSBY,A.SHIPWAY,J.L.HARRIS,S.A.LESLEY . 590 4 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 29.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 . 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 . 55 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 2 2 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 . 12 8 2 6 6 4 2 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 2 0 0 0 2 0 0 2 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 3,-0.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 113.8 -3.6 56.2 -8.2 2 17 A T B 3 +A 188 0A 11 186,-1.7 186,-1.5 1,-0.2 131,-0.1 -0.638 360.0 0.1 -88.4 116.1 -3.3 54.7 -11.7 3 18 A G T 3 S+ 0 0 45 -2,-0.6 -1,-0.2 129,-0.3 186,-0.1 0.718 103.3 116.4 88.2 22.1 -4.8 51.3 -12.2 4 19 A G < - 0 0 30 -3,-0.9 2,-0.3 143,-0.1 143,-0.2 0.170 56.3-118.5 -96.8-145.6 -6.1 50.8 -8.7 5 20 A S E -B 146 0B 63 141,-1.8 141,-3.4 -3,-0.0 2,-0.3 -0.968 34.3 -82.3-156.5 162.3 -9.4 50.4 -7.0 6 21 A S E -B 145 0B 71 -2,-0.3 139,-0.2 139,-0.2 138,-0.1 -0.517 40.8-134.7 -74.5 129.4 -11.6 52.2 -4.5 7 22 A A - 0 0 4 137,-2.7 2,-0.2 -2,-0.3 137,-0.1 -0.401 25.6-106.7 -73.5 156.2 -10.8 51.6 -0.8 8 23 A V > - 0 0 104 1,-0.1 3,-1.9 -2,-0.1 2,-0.3 -0.545 50.0 -86.3 -76.3 155.1 -13.7 50.9 1.6 9 24 A A T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -2,-0.2 49,-0.0 -0.487 116.6 15.2 -65.7 122.9 -14.3 53.8 3.9 10 25 A G T 3 S+ 0 0 31 -2,-0.3 -1,-0.3 95,-0.1 48,-0.0 0.516 89.3 116.4 93.2 7.8 -12.0 53.4 6.9 11 26 A Q S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 3,-0.1 0.692 83.3 33.8 -81.1 -19.2 -9.7 50.9 5.4 12 27 A W > + 0 0 16 -4,-0.3 3,-3.1 1,-0.1 -1,-0.2 -0.402 68.0 171.2-132.7 60.7 -6.6 53.2 5.5 13 28 A P T 3 S+ 0 0 15 0, 0.0 94,-1.8 0, 0.0 44,-0.2 0.562 74.9 60.4 -49.7 -14.9 -7.1 55.3 8.7 14 29 A W T 3 S+ 0 0 13 92,-0.2 16,-2.5 94,-0.1 2,-0.3 0.554 79.6 106.7 -93.2 -8.1 -3.6 56.7 8.4 15 30 A Q E < -K 29 0C 6 -3,-3.1 42,-0.7 14,-0.2 43,-0.4 -0.497 48.6-177.4 -71.0 131.8 -4.2 58.3 5.0 16 31 A V E -KL 28 56C 1 12,-2.4 12,-1.5 -2,-0.3 2,-0.3 -0.931 21.2-133.2-128.8 156.2 -4.6 62.1 5.0 17 32 A S E -KL 27 55C 0 38,-2.5 38,-2.3 -2,-0.3 2,-0.5 -0.818 16.1-150.2-102.4 146.8 -5.3 64.7 2.4 18 33 A I E -KL 26 54C 0 8,-2.3 7,-3.2 -2,-0.3 8,-1.3 -0.980 13.4-171.8-122.1 125.5 -3.2 67.9 2.1 19 34 A T E -KL 24 53C 19 34,-2.0 34,-2.9 -2,-0.5 2,-0.5 -0.933 13.2-165.1-119.0 133.0 -4.8 71.1 0.9 20 35 A Y E > S-KL 23 52C 28 3,-2.5 3,-1.5 -2,-0.4 32,-0.2 -0.985 89.2 -9.4-111.6 123.4 -3.1 74.4 0.0 21 36 A E T 3 S- 0 0 146 30,-2.5 -1,-0.2 -2,-0.5 31,-0.1 0.916 133.7 -55.2 52.4 44.2 -5.7 77.2 -0.3 22 38 A G T 3 S+ 0 0 59 29,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.548 114.5 116.1 70.6 8.2 -8.4 74.5 -0.1 23 39 A V E < -K 20 0C 63 -3,-1.5 -3,-2.5 235,-0.0 2,-0.3 -0.937 69.7-119.4-110.9 130.7 -7.0 72.5 -3.0 24 40 A H E +K 19 0C 22 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.491 45.4 154.1 -64.4 125.3 -5.7 68.9 -2.6 25 41 A V E + 0 0 9 -7,-3.2 233,-2.5 1,-0.4 2,-0.3 0.645 59.1 16.0-120.5 -33.0 -2.0 68.8 -3.5 26 42 A a E -K 18 0C 0 -8,-1.3 -8,-2.3 231,-0.2 -1,-0.4 -0.954 60.3-131.5-140.9 156.2 -0.5 66.0 -1.6 27 43 A G E -K 17 0C 1 167,-3.3 12,-0.3 -2,-0.3 2,-0.3 -0.468 28.9-171.1 -91.1 176.6 -1.4 62.9 0.4 28 44 A G E -K 16 0C 0 -12,-1.5 -12,-2.4 -2,-0.2 2,-0.4 -0.959 18.9-127.1-159.9 170.3 0.1 62.3 3.8 29 45 A S E -KM 15 37C 0 8,-2.6 8,-3.4 -2,-0.3 2,-0.3 -0.998 20.4-132.2-132.4 129.5 0.4 59.6 6.4 30 46 A L E + M 0 36C 1 -16,-2.5 79,-2.0 -2,-0.4 6,-0.2 -0.635 26.3 171.5 -82.5 133.8 -0.4 60.1 10.1 31 47 A V + 0 0 22 4,-2.2 2,-0.3 -2,-0.3 5,-0.2 0.577 60.9 0.9-121.3 -16.8 2.2 58.8 12.5 32 48 A S S S- 0 0 36 3,-1.2 3,-0.4 78,-0.1 -1,-0.2 -0.927 90.7 -71.7-155.8-176.1 1.0 60.1 16.0 33 49 A E S S+ 0 0 108 -2,-0.3 67,-3.1 1,-0.2 65,-0.1 0.678 131.0 11.7 -54.3 -18.8 -1.7 62.1 17.8 34 50 A Q S S+ 0 0 38 65,-0.2 62,-3.0 63,-0.0 2,-0.3 0.327 110.7 85.4-146.0 6.4 -0.3 65.3 16.2 35 51 A W E - N 0 95C 34 -3,-0.4 -4,-2.2 60,-0.2 -3,-1.2 -0.902 44.4-169.1-125.9 150.1 2.2 64.4 13.5 36 52 A V E -MN 30 94C 0 58,-1.7 58,-2.6 -2,-0.3 2,-0.4 -0.996 14.0-143.0-138.0 130.9 2.1 63.6 9.7 37 53 A L E +MN 29 93C 0 -8,-3.4 -8,-2.6 -2,-0.4 2,-0.2 -0.765 38.3 138.3 -88.0 136.4 4.7 62.3 7.3 38 54 A S E - N 0 92C 0 54,-2.3 54,-1.5 -2,-0.4 2,-0.4 -0.694 49.8 -66.5-148.9-151.8 4.6 63.7 3.8 39 55 A A > - 0 0 0 -12,-0.3 3,-1.5 52,-0.3 52,-0.3 -0.901 26.3-134.7-118.1 139.6 7.0 64.9 1.0 40 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.845 103.2 58.3 -58.4 -38.1 9.2 67.9 0.9 41 57 A H G 3 S+ 0 0 5 1,-0.3 -1,-0.3 2,-0.1 216,-0.1 0.616 90.4 71.1 -72.7 -10.4 8.3 69.0 -2.6 42 58 A a G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.475 100.3 53.4 -78.0 0.0 4.6 69.2 -1.6 43 58AA F S < S- 0 0 20 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 -0.520 72.1-175.9-138.9 66.3 5.7 72.3 0.3 44 58BA P > - 0 0 25 0, 0.0 3,-1.7 0, 0.0 -3,-0.0 -0.315 38.1-116.3 -60.1 148.7 7.6 74.9 -1.7 45 58CA S T 3 S+ 0 0 100 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.715 109.8 70.7 -61.1 -22.4 8.9 77.8 0.3 46 58DA E T 3 S+ 0 0 88 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.717 84.8 85.8 -68.4 -22.5 6.7 80.2 -1.7 47 58EA H S < S- 0 0 40 -3,-1.7 2,-0.5 1,-0.1 3,-0.1 -0.413 80.9-120.0 -82.0 159.0 3.6 78.8 0.0 48 58FA H > - 0 0 105 1,-0.1 3,-2.4 -2,-0.1 4,-0.2 -0.869 5.3-141.7-107.4 126.0 2.3 80.0 3.4 49 58GA K G > S+ 0 0 93 -2,-0.5 3,-2.0 1,-0.3 24,-0.4 0.854 102.0 62.3 -49.7 -39.9 2.0 77.6 6.3 50 58HA E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 22,-0.1 23,-0.0 0.717 100.1 54.9 -61.3 -20.8 -1.3 79.3 7.3 51 63 A A G < S+ 0 0 29 -3,-2.4 -30,-2.5 21,-0.1 2,-0.5 0.291 86.8 98.3-100.2 7.2 -2.8 78.2 4.0 52 64 A Y E < +L 20 0C 5 -3,-2.0 21,-0.6 -32,-0.2 2,-0.3 -0.865 49.5 175.2 -94.4 126.4 -2.0 74.6 4.5 53 65 A E E -LO 19 72C 85 -34,-2.9 -34,-2.0 -2,-0.5 2,-0.4 -0.828 16.9-146.2-121.8 168.4 -4.8 72.4 5.9 54 66 A V E -LO 18 71C 0 17,-1.8 17,-2.1 -2,-0.3 2,-0.5 -0.998 3.4-154.7-139.5 130.6 -5.1 68.6 6.5 55 67 A K E -LO 17 70C 53 -38,-2.3 -38,-2.5 -2,-0.4 2,-0.3 -0.919 14.7-175.0-110.6 130.4 -8.0 66.3 6.1 56 68 A L E +L 16 0C 1 13,-2.8 -40,-0.1 -2,-0.5 3,-0.1 -0.927 65.0 24.3-125.3 150.9 -8.3 63.1 8.1 57 69 A G S S+ 0 0 10 -42,-0.7 2,-0.8 -2,-0.3 -1,-0.2 0.720 85.5 150.9 72.7 21.1 -10.7 60.2 8.1 58 70 A A + 0 0 9 -43,-0.4 -1,-0.3 -3,-0.2 3,-0.2 -0.780 16.7 160.4 -94.6 108.2 -11.5 61.4 4.6 59 71 A H S S+ 0 0 39 -2,-0.8 85,-2.7 1,-0.3 2,-0.7 0.917 74.3 33.4 -90.3 -56.2 -12.6 58.6 2.3 60 72 A Q B > S-Q 143 0D 74 83,-0.2 3,-1.4 1,-0.1 -1,-0.3 -0.902 76.3-153.4-102.7 106.8 -14.3 60.4 -0.6 61 73 A L T 3 S+ 0 0 20 81,-2.6 81,-0.2 -2,-0.7 -1,-0.1 0.749 90.5 48.2 -52.2 -31.0 -12.4 63.7 -1.0 62 74 A D T 3 S+ 0 0 88 79,-1.9 2,-0.3 80,-0.1 -1,-0.3 -0.124 100.0 83.0-104.5 36.9 -15.4 65.6 -2.4 63 75 A S S < S- 0 0 39 -3,-1.4 2,-0.9 78,-0.1 -3,-0.1 -0.996 83.5-109.9-142.2 140.7 -18.0 64.6 0.2 64 76 A Y - 0 0 211 -2,-0.3 2,-0.4 -6,-0.0 -2,-0.1 -0.604 38.7-162.8 -68.7 105.1 -19.0 65.7 3.7 65 77 A S > - 0 0 41 -2,-0.9 3,-0.5 1,-0.2 -7,-0.0 -0.796 15.8-140.3 -92.2 134.9 -17.8 62.9 5.9 66 78 A E T 3 S+ 0 0 172 -2,-0.4 2,-1.5 1,-0.3 -1,-0.2 0.981 97.7 33.5 -51.6 -76.7 -19.3 62.8 9.4 67 79 A D T 3 S+ 0 0 59 1,-0.1 -1,-0.3 -10,-0.1 2,-0.2 -0.616 84.2 121.8 -85.4 81.8 -16.1 61.8 11.2 68 80 A A < - 0 0 21 -2,-1.5 -11,-0.2 -3,-0.5 -3,-0.1 -0.663 47.3-155.4-141.4 83.5 -13.4 63.6 9.2 69 81 A K - 0 0 89 -2,-0.2 -13,-2.8 32,-0.1 2,-0.4 -0.186 3.5-156.2 -61.0 148.3 -11.4 66.0 11.3 70 82 A V E -O 55 0C 76 -15,-0.2 2,-0.3 -13,-0.0 -15,-0.2 -0.985 13.9-177.6-123.9 139.5 -9.6 68.9 9.6 71 83 A S E -O 54 0C 13 -17,-2.1 -17,-1.8 -2,-0.4 2,-0.1 -0.978 22.3-135.5-138.1 149.8 -6.6 70.7 11.1 72 84 A T E -O 53 0C 69 -2,-0.3 25,-1.9 -19,-0.2 2,-0.5 -0.404 39.8-100.5 -85.4 176.4 -4.3 73.6 10.4 73 85 A L E -P 96 0C 10 -21,-0.6 23,-0.3 -24,-0.4 -21,-0.1 -0.888 26.3-175.0-111.5 128.4 -0.6 73.2 10.8 74 86 A K E S+ 0 0 118 21,-2.8 2,-0.3 -2,-0.5 22,-0.2 0.853 78.2 6.5 -78.3 -38.7 1.5 74.3 13.8 75 87 A D E -P 95 0C 67 20,-1.8 20,-1.8 -26,-0.1 2,-0.3 -0.974 51.6-162.1-146.5 153.6 4.8 73.3 12.1 76 88 A I E +P 94 0C 39 -2,-0.3 18,-0.2 18,-0.2 -27,-0.1 -0.906 13.1 180.0-139.3 112.0 6.3 72.1 8.9 77 89 A I E -P 93 0C 42 16,-2.6 16,-2.2 -2,-0.3 2,-0.1 -0.855 7.2-167.1-117.3 97.0 9.8 70.6 9.0 78 90 A P E -P 92 0C 42 0, 0.0 14,-0.3 0, 0.0 12,-0.1 -0.496 46.8 -83.5 -68.7 151.2 11.2 69.4 5.7 79 91 A H > - 0 0 34 12,-2.7 3,-2.7 10,-0.4 4,-0.4 -0.363 35.3-121.8 -59.8 135.3 14.3 67.2 6.2 80 92 A P T 3 S+ 0 0 85 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.763 110.5 63.8 -43.3 -34.3 17.5 69.3 6.6 81 93 A S T 3 S+ 0 0 33 1,-0.2 3,-0.2 2,-0.1 7,-0.2 0.531 91.4 71.3 -71.5 -5.6 18.9 67.5 3.5 82 94 A Y S X> S+ 0 0 34 -3,-2.7 3,-2.5 7,-0.2 4,-0.8 0.958 78.6 59.1 -85.1 -56.2 16.3 68.9 1.2 83 95 A L T 34 S+ 0 0 130 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.569 113.2 45.4 -59.0 -5.2 16.6 72.6 0.4 84 96 A Q T 34 S+ 0 0 133 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 -0.015 116.9 40.4-123.0 29.9 20.1 71.9 -1.0 85 97 A E T <4 - 0 0 93 -3,-2.5 -2,-0.1 4,-0.1 -3,-0.1 0.526 46.9-172.6-135.9 -71.7 19.3 68.8 -3.1 86 98 A G S < S+ 0 0 51 -4,-0.8 3,-0.1 2,-0.4 -4,-0.1 0.822 91.7 70.8 58.7 29.1 16.3 68.3 -5.2 87 99 A S S S+ 0 0 41 1,-0.5 2,-0.3 -5,-0.2 87,-0.2 0.366 105.3 5.8-147.0 -14.1 17.9 64.9 -5.4 88 100 A Q S S+ 0 0 58 -6,-0.2 -1,-0.5 -7,-0.2 -2,-0.4 -0.958 96.2 56.7-175.0 152.6 17.5 63.4 -1.9 89 101 A G + 0 0 0 -2,-0.3 2,-2.0 1,-0.1 -10,-0.4 0.813 55.4 169.4 85.9 35.7 15.8 64.0 1.5 90 102 A D + 0 0 10 -51,-0.1 2,-0.3 -12,-0.1 138,-0.2 -0.417 36.6 96.5 -86.7 66.6 12.3 64.2 0.1 91 103 A I - 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