==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 01-OCT-98 4PRO . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 FRAGMENT: CHAIN C, D; . AUTHOR N.K.SAUTER,T.MAU,S.D.RADER,D.A.AGARD . 705 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 211 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 61 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 2 0 2 2 0 1 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 1 1 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 PARALLEL BRIDGES PER LADDER . 3 6 5 11 4 10 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 4 0 0 0 0 0 0 0 0 2 0 0 0 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 1 A A 0 0 52 0, 0.0 73,-3.3 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 173.8 35.5 36.4 31.8 2 2 A N E -a 74 0A 98 71,-0.2 2,-0.9 73,-0.1 73,-0.2 -0.751 360.0-149.0 -87.5 105.0 37.0 35.0 28.6 3 3 A I E +a 75 0A 0 71,-3.2 73,-2.0 -2,-0.9 2,-0.4 -0.652 31.0 161.7 -78.3 107.8 34.2 34.0 26.3 4 4 A V E > - 0 0 21 -2,-0.9 3,-1.4 71,-0.1 15,-0.3 -0.986 41.6-105.9-131.6 138.9 35.4 31.1 24.3 5 5 A G E 3 S+a 79 0A 0 73,-2.0 75,-4.2 -2,-0.4 15,-0.2 -0.336 100.7 28.9 -63.5 136.8 33.5 28.5 22.3 6 6 A G T 3 S+ 0 0 4 13,-2.1 -1,-0.2 1,-0.4 102,-0.1 0.217 88.1 122.8 101.6 -16.6 33.3 25.0 23.8 7 7 A I < - 0 0 46 -3,-1.4 12,-2.6 97,-0.1 -1,-0.4 -0.414 64.1-106.0 -81.1 158.0 33.5 26.0 27.5 8 8 A E E +C 18 0B 73 10,-0.2 2,-0.3 -2,-0.1 39,-0.2 -0.492 36.9 174.8 -81.3 149.0 30.9 25.1 30.1 9 9 A Y E -C 17 0B 2 8,-1.9 8,-1.8 -2,-0.2 2,-0.3 -0.959 20.5-134.7-148.9 151.1 28.5 27.7 31.4 10 10 A S E -CD 16 45B 11 35,-2.5 35,-2.0 -2,-0.3 2,-0.5 -0.765 8.1-143.5-110.6 159.2 25.6 27.2 33.8 11 11 A I E >> S-CD 15 44B 5 4,-2.1 3,-2.2 -2,-0.3 4,-1.6 -0.981 78.8 -15.0-128.7 123.8 22.1 28.5 33.7 12 12 A N T 34 S- 0 0 36 31,-2.7 -1,-0.1 -2,-0.5 32,-0.1 0.873 111.3 -80.1 54.6 38.4 20.1 29.6 36.7 13 13 A N T 34 S+ 0 0 17 30,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.691 125.2 85.0 44.3 23.7 22.7 27.8 38.8 14 14 A A T <4 S+ 0 0 30 -3,-2.2 357,-2.7 1,-0.2 2,-0.3 0.742 82.2 31.2-120.5 -38.7 20.7 24.6 37.8 15 15 A S E < -CE 11 370B 43 -4,-1.6 -4,-2.1 355,-0.3 2,-0.3 -0.851 63.2-129.5-127.5 163.5 21.7 23.2 34.4 16 16 A L E +C 10 0B 9 353,-3.3 2,-0.3 -2,-0.3 -6,-0.2 -0.854 29.4 150.7-115.6 147.3 24.8 22.9 32.2 17 17 A a E -C 9 0B 5 -8,-1.8 -8,-1.9 -2,-0.3 2,-0.3 -0.914 37.3-104.3-155.8 175.8 25.4 23.7 28.5 18 18 A S E -C 8 0B 0 125,-3.2 16,-0.4 -2,-0.3 -10,-0.2 -0.858 30.3-108.2-116.6 150.0 28.3 24.7 26.3 19 19 A V - 0 0 0 -12,-2.6 -13,-2.1 -2,-0.3 127,-0.6 -0.467 26.1-163.0 -71.4 142.0 29.2 28.1 24.7 20 20 A G - 0 0 0 12,-2.0 2,-0.3 1,-0.3 13,-0.2 0.910 55.0 -35.2 -88.8 -79.0 28.7 28.2 20.9 21 21 A F E -F 32 0B 1 11,-0.7 11,-2.3 -16,-0.1 -1,-0.3 -0.993 57.5-105.6-149.7 147.6 30.5 31.2 19.4 22 22 A S E +F 31 0B 4 54,-0.4 174,-2.1 -2,-0.3 2,-0.3 -0.539 48.8 168.7 -73.1 136.4 31.3 34.8 20.5 23 23 A V E -FG 30 195B 0 7,-3.0 7,-1.6 -2,-0.2 2,-0.3 -0.910 25.2-141.7-143.5 170.7 29.2 37.3 18.7 24 24 A T E -FG 29 194B 42 170,-2.2 170,-2.0 -2,-0.3 2,-0.4 -0.992 4.9-162.9-137.6 143.5 28.3 41.0 18.7 25 25 A R E > S-F 28 0B 128 3,-2.6 3,-1.6 -2,-0.3 2,-0.6 -0.802 74.3 -59.0-124.5 84.7 25.0 42.8 18.1 26 26 A G T 3 S- 0 0 73 -2,-0.4 168,-0.0 1,-0.3 166,-0.0 -0.683 121.5 -16.6 78.9-121.0 26.1 46.4 17.5 27 27 A A T 3 S+ 0 0 106 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.2 0.617 118.1 103.2 -90.1 -15.0 27.9 47.4 20.7 28 28 A T E < -F 25 0B 53 -3,-1.6 -3,-2.6 1,-0.0 2,-0.2 -0.489 61.7-148.3 -73.5 135.1 26.4 44.5 22.6 29 29 A K E +F 24 0B 67 40,-0.4 40,-2.0 -5,-0.2 2,-0.3 -0.614 33.8 129.5 -96.5 159.9 28.6 41.5 23.3 30 30 A G E -FH 23 68B 0 -7,-1.6 -7,-3.0 38,-0.3 2,-0.3 -0.986 40.9-116.0 176.1-176.0 27.2 38.0 23.5 31 31 A F E -FH 22 67B 0 36,-1.7 36,-2.9 -2,-0.3 2,-0.3 -0.995 20.6-123.8-148.6 147.1 27.4 34.4 22.5 32 32 A V E +FH 21 66B 0 -11,-2.3 -12,-2.0 -2,-0.3 -11,-0.7 -0.642 38.9 150.7 -90.7 150.6 25.3 31.9 20.6 33 33 A T E - H 0 65B 0 32,-2.4 32,-1.3 -2,-0.3 2,-0.2 -0.895 49.2 -55.7-159.4-175.5 24.2 28.6 22.1 34 34 A A > - 0 0 0 -16,-0.4 3,-1.1 -2,-0.3 30,-0.3 -0.520 37.6-137.7 -78.6 142.1 21.3 26.0 21.9 35 35 A G G > S+ 0 0 0 23,-0.3 3,-1.2 1,-0.2 24,-0.1 0.810 100.4 61.6 -67.3 -31.5 17.8 27.2 22.6 36 36 A H G 3 S+ 0 0 32 1,-0.2 -1,-0.2 22,-0.1 3,-0.1 0.577 87.4 78.8 -72.8 -5.9 16.8 24.3 24.8 37 37 A a G < S- 0 0 9 -3,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.749 108.7 -19.3 -72.9 -26.0 19.6 25.3 27.2 38 38 A G < - 0 0 9 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.2 -0.992 59.9-108.4-170.2 173.1 17.5 28.1 28.7 39 39 A T > - 0 0 77 -2,-0.3 3,-1.9 1,-0.2 15,-0.3 -0.670 57.8 -66.5-109.3 166.3 14.6 30.5 28.6 40 40 A V T 3 S+ 0 0 73 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.173 120.9 13.5 -52.8 142.7 14.6 34.2 28.1 41 41 A N T 3 S+ 0 0 123 13,-3.0 -1,-0.3 1,-0.2 14,-0.1 0.214 87.6 145.3 75.4 -15.7 16.1 36.2 31.0 42 42 A A < - 0 0 5 -3,-1.9 12,-2.1 11,-0.1 2,-0.5 -0.187 53.7-111.7 -51.2 147.9 17.6 33.0 32.5 43 43 A T E - I 0 53B 33 10,-0.2 -31,-2.7 -3,-0.1 2,-0.4 -0.746 25.8-155.1 -95.6 132.0 21.0 33.8 34.0 44 44 A A E -DI 11 52B 0 8,-3.1 7,-2.5 -2,-0.5 8,-1.4 -0.853 12.1-177.0-105.4 133.9 24.3 32.6 32.6 45 45 A R E -DI 10 50B 41 -35,-2.0 -35,-2.5 -2,-0.4 2,-0.5 -0.993 13.6-160.7-133.1 136.4 27.4 32.2 34.7 46 46 A I E > S- I 0 49B 25 3,-1.9 3,-1.5 -2,-0.4 -37,-0.1 -0.969 83.5 -14.1-114.0 124.0 30.9 31.1 33.7 47 47 A G T 3 S- 0 0 87 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.822 130.9 -51.4 55.0 34.4 33.1 29.9 36.6 48 48 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.033 113.9 107.8 97.3 -32.6 30.7 31.2 39.2 49 49 A A E < S-I 46 0B 58 -3,-1.5 -3,-1.9 1,-0.1 2,-0.4 -0.607 73.5-116.2 -87.4 142.1 30.4 34.8 37.9 50 50 A V E +I 45 0B 74 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.603 36.3 170.9 -73.5 123.6 27.3 36.2 36.2 51 51 A V E - 0 0 1 -7,-2.5 19,-2.1 -2,-0.4 2,-0.3 0.634 55.5 -57.4-108.8 -20.6 28.2 37.1 32.6 52 52 A G E -IJ 44 69B 7 -8,-1.4 -8,-3.1 17,-0.3 -1,-0.4 -0.984 50.9 -89.2 166.1-173.3 24.8 37.8 31.2 53 53 A T E -IJ 43 68B 48 15,-1.5 15,-1.9 -2,-0.3 2,-0.4 -0.898 43.9 -88.7-130.1 158.8 21.3 36.6 30.4 54 54 A F E - J 0 67B 0 -12,-2.1 -13,-3.0 -15,-0.3 13,-0.2 -0.509 37.4-173.7 -65.7 118.2 19.5 34.8 27.6 55 55 A A E - 0 0 40 11,-2.2 2,-0.3 -2,-0.4 -1,-0.2 0.779 63.0 -15.6 -85.5 -29.6 18.3 37.6 25.3 56 56 A A E + J 0 66B 21 10,-1.1 10,-1.5 -17,-0.1 -1,-0.3 -0.978 61.7 174.7-167.0 164.0 16.2 35.4 23.0 57 57 A R E - J 0 65B 71 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.955 18.1-150.7-175.0 153.6 15.6 31.8 22.0 58 58 A V E + J 0 64B 40 6,-2.7 6,-1.9 -2,-0.3 -23,-0.3 -0.994 23.6 179.7-136.8 126.9 13.5 29.4 19.9 59 59 A F + 0 0 28 -2,-0.4 2,-0.2 1,-0.2 4,-0.1 -0.702 56.2 20.5 179.2 128.1 12.8 25.8 20.9 60 60 A P S S+ 0 0 51 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.520 121.5 40.7 -78.2-157.3 11.3 23.6 19.7 61 61 A G B S+r 128 0C 23 66,-2.0 68,-2.3 -2,-0.2 2,-0.2 -0.508 135.3 12.9 93.5 -64.0 10.9 24.2 16.0 62 62 A N S S- 0 0 48 -2,-1.3 68,-0.1 66,-0.2 2,-0.0 -0.629 76.4-137.5-124.0-177.1 14.4 25.5 15.9 63 63 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.520 55.0 118.3-147.5 73.1 17.0 25.1 18.6 64 64 A R E + J 0 58B 22 -6,-1.9 -6,-2.7 -30,-0.3 2,-0.3 -0.947 23.1 150.9-140.3 159.6 18.8 28.4 18.9 65 65 A A E -HJ 33 57B 0 -32,-1.3 -32,-2.4 -2,-0.3 2,-0.3 -0.963 23.1-141.8-174.5 165.4 19.4 31.2 21.3 66 66 A W E -HJ 32 56B 6 -10,-1.5 -11,-2.2 -2,-0.3 -10,-1.1 -0.998 9.9-141.1-144.6 144.4 21.9 33.9 22.2 67 67 A V E -HJ 31 54B 0 -36,-2.9 -36,-1.7 -2,-0.3 2,-0.5 -0.920 12.0-146.7-107.0 122.8 23.2 35.4 25.5 68 68 A S E -HJ 30 53B 32 -15,-1.9 -15,-1.5 -2,-0.5 -38,-0.3 -0.785 26.7-158.0 -87.9 126.5 23.8 39.1 25.8 69 69 A L E - J 0 52B 17 -40,-2.0 -40,-0.4 -2,-0.5 -17,-0.3 -0.402 17.9 -91.4-101.5 178.4 26.7 39.7 28.1 70 70 A T > - 0 0 55 -19,-2.1 3,-2.1 -2,-0.1 -1,-0.1 -0.525 38.9-109.7 -84.9 156.4 28.1 42.5 30.3 71 71 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.769 113.9 69.2 -55.8 -28.0 30.7 44.9 29.0 72 72 A A T 3 S+ 0 0 74 2,-0.1 -1,-0.3 -21,-0.1 2,-0.2 0.525 78.0 105.8 -71.5 -5.5 33.3 43.3 31.3 73 73 A Q < - 0 0 11 -3,-2.1 2,-0.7 -22,-0.1 -71,-0.2 -0.525 65.7-138.3 -80.1 143.4 33.3 40.1 29.2 74 74 A T E -a 2 0A 66 -73,-3.3 -71,-3.2 -2,-0.2 2,-0.6 -0.891 13.6-155.9-105.7 111.1 36.2 39.3 26.9 75 75 A L E -a 3 0A 30 -2,-0.7 -71,-0.1 -73,-0.2 -73,-0.1 -0.752 12.0-174.6 -87.9 119.1 35.1 37.9 23.5 76 76 A L E - 0 0 33 -73,-2.0 2,-1.9 -2,-0.6 -54,-0.4 -0.920 29.8-129.8-113.4 139.2 37.8 35.8 21.8 77 77 A P E S+ 0 0 29 0, 0.0 11,-2.5 0, 0.0 2,-0.3 -0.350 72.9 107.6 -84.3 59.9 37.3 34.3 18.3 78 78 A R E - B 0 87A 115 -2,-1.9 -73,-2.0 -75,-0.3 2,-0.4 -0.832 58.5-144.5-132.3 170.8 38.3 30.9 19.4 79 79 A V E -aB 5 86A 0 7,-1.7 7,-2.4 -2,-0.3 -73,-0.2 -0.993 34.9-111.5-136.8 124.4 36.9 27.4 20.1 80 80 A A E - 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