==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-AUG-98 3PRO . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR N.K.SAUTER,T.MAU,S.D.RADER,D.A.AGARD . 698 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 29.1 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 . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 3 0 1 3 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 4 7 5 6 6 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 2 0 0 2 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 1 A A 0 0 54 0, 0.0 73,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 164.5 0.3 2.0 34.8 2 2 A N E -a 74 0A 98 71,-0.2 2,-0.9 73,-0.1 73,-0.2 -0.753 360.0-143.5 -85.1 115.6 1.7 1.6 38.3 3 3 A I E +a 75 0A 0 71,-3.0 73,-1.6 -2,-0.7 2,-0.4 -0.727 35.0 158.9 -85.3 107.6 2.0 5.0 39.9 4 4 A V E > - 0 0 18 -2,-0.9 3,-1.4 71,-0.1 15,-0.3 -0.977 44.6-101.3-131.0 142.3 5.2 4.9 42.0 5 5 A G E 3 S+a 79 0A 0 73,-2.8 75,-3.5 -2,-0.4 15,-0.2 -0.346 102.8 24.3 -63.6 138.8 7.3 7.8 43.3 6 6 A G T 3 S+ 0 0 5 13,-3.1 -1,-0.2 1,-0.3 102,-0.1 0.294 87.9 127.7 94.3 -11.4 10.5 8.4 41.3 7 7 A I < - 0 0 43 -3,-1.4 12,-2.6 97,-0.1 -1,-0.3 -0.454 62.3-102.0 -82.1 154.6 9.5 6.9 38.0 8 8 A E E +C 18 0B 78 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.455 39.9 170.5 -76.4 143.8 9.8 8.7 34.7 9 9 A Y E -C 17 0B 2 8,-1.9 8,-2.1 -2,-0.2 2,-0.3 -0.969 23.1-133.4-146.4 150.2 6.8 10.3 32.9 10 10 A S E -CD 16 45B 20 35,-2.6 35,-2.1 -2,-0.3 2,-0.5 -0.771 8.6-139.9-108.0 156.3 6.8 12.6 29.9 11 11 A I E >> S-CD 15 44B 4 4,-2.4 3,-2.3 -2,-0.3 4,-1.7 -0.966 79.1 -23.8-120.3 118.7 4.9 15.9 29.4 12 12 A N T 34 S- 0 0 80 31,-2.6 -1,-0.1 -2,-0.5 32,-0.1 0.806 110.3 -75.5 52.6 33.1 3.3 16.6 26.0 13 13 A N T 34 S+ 0 0 115 30,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.769 127.4 85.1 52.6 28.0 5.8 14.2 24.4 14 14 A A T <4 S+ 0 0 89 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.702 84.0 28.1-125.1 -40.6 8.4 17.0 24.9 15 15 A S E < -C 11 0B 52 -4,-1.7 -4,-2.4 22,-0.1 2,-0.3 -0.811 62.3-133.1-126.9 167.5 9.9 16.9 28.4 16 16 A L E +C 10 0B 84 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.903 27.1 154.0-122.3 149.3 10.7 14.4 31.2 17 17 A a E -C 9 0B 6 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.4 -0.886 36.4-104.3-154.8-179.1 10.2 14.5 34.9 18 18 A S E -C 8 0B 0 125,-3.1 16,-0.3 -2,-0.3 -10,-0.2 -0.929 33.0-106.8-121.6 144.5 9.7 12.1 37.8 19 19 A V - 0 0 0 -12,-2.6 -13,-3.1 -2,-0.4 127,-0.8 -0.412 26.4-162.8 -66.2 139.2 6.6 11.2 39.7 20 20 A G - 0 0 0 12,-1.7 2,-0.3 1,-0.3 126,-0.3 0.926 56.5 -32.9 -85.8 -76.9 6.4 12.6 43.2 21 21 A F E -E 32 0B 1 11,-0.9 11,-2.0 -16,-0.1 -1,-0.3 -0.997 55.6-107.1-149.8 148.8 3.8 10.7 45.2 22 22 A S E +E 31 0B 3 54,-0.4 174,-2.2 -2,-0.3 2,-0.3 -0.575 49.6 165.8 -73.5 135.8 0.5 8.9 44.6 23 23 A V E -EF 30 195B 0 7,-2.7 7,-1.8 -2,-0.3 2,-0.3 -0.912 25.1-140.7-144.6 170.2 -2.4 10.9 46.0 24 24 A T E -EF 29 194B 44 170,-2.0 170,-2.5 -2,-0.3 2,-0.3 -0.948 8.3-161.0-134.9 154.2 -6.2 11.1 45.9 25 25 A R E > S-E 28 0B 126 3,-2.5 3,-1.8 -2,-0.3 2,-0.4 -0.783 75.9 -61.8-132.4 83.0 -8.8 13.9 45.7 26 26 A G T 3 S- 0 0 71 -2,-0.3 -1,-0.1 1,-0.3 168,-0.1 -0.608 120.9 -14.8 73.4-126.2 -11.8 12.0 46.8 27 27 A A T 3 S+ 0 0 106 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.621 116.9 103.4 -83.8 -13.1 -12.4 9.4 44.2 28 28 A T E < -E 25 0B 46 -3,-1.8 -3,-2.5 1,-0.0 2,-0.2 -0.540 63.2-145.5 -76.3 130.9 -10.0 11.1 41.8 29 29 A K E +EG 24 69B 66 40,-0.5 40,-2.8 -2,-0.3 2,-0.3 -0.611 34.5 133.8 -91.9 153.5 -6.6 9.5 41.4 30 30 A G E -EG 23 68B 0 -7,-1.8 -7,-2.7 38,-0.3 2,-0.3 -0.978 39.9-123.3-175.1-176.8 -3.4 11.5 40.9 31 31 A F E -EG 22 67B 0 36,-1.4 36,-2.8 -2,-0.3 2,-0.3 -0.989 20.7-127.4-147.4 147.5 0.2 12.2 41.7 32 32 A V E +EG 21 66B 0 -11,-2.0 -12,-1.7 -2,-0.3 -11,-0.9 -0.663 38.2 149.5 -93.7 155.4 2.0 15.3 42.9 33 33 A T E - G 0 65B 0 32,-2.4 32,-1.4 -2,-0.3 2,-0.2 -0.864 49.2 -50.0-162.8-170.2 5.1 16.6 41.2 34 34 A A > - 0 0 0 -16,-0.3 3,-1.1 -2,-0.3 4,-0.4 -0.541 37.6-135.0 -82.0 144.8 6.9 19.9 40.4 35 35 A G G > S+ 0 0 0 23,-0.3 3,-1.3 1,-0.2 24,-0.2 0.870 103.6 61.1 -63.9 -37.1 5.1 22.9 38.9 36 36 A H G 3 S+ 0 0 58 1,-0.2 -1,-0.2 22,-0.2 3,-0.1 0.641 89.0 75.1 -67.2 -10.1 7.9 23.5 36.4 37 37 A a G < S- 0 0 5 -3,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.769 109.2 -6.6 -73.0 -27.2 7.3 20.1 34.9 38 38 A G < - 0 0 7 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 -0.988 59.2-119.9-167.8 156.9 4.0 21.1 33.1 39 39 A T > - 0 0 76 -2,-0.3 3,-2.3 1,-0.1 15,-0.3 -0.575 58.7 -70.4 -94.8 162.3 1.3 23.6 32.5 40 40 A V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.2 -1,-0.1 -0.252 122.4 15.7 -54.3 135.5 -2.3 23.1 33.2 41 41 A N T 3 S+ 0 0 124 13,-3.2 -1,-0.3 1,-0.3 14,-0.1 0.294 87.5 144.1 81.7 -7.4 -3.9 20.5 30.8 42 42 A A < - 0 0 4 -3,-2.3 12,-2.5 12,-0.1 2,-0.4 -0.339 54.1-113.8 -60.2 145.5 -0.5 19.3 29.7 43 43 A T E - H 0 53B 33 10,-0.2 -31,-2.6 -3,-0.1 2,-0.4 -0.733 23.8-152.0 -92.4 129.8 -0.6 15.5 29.0 44 44 A A E -DH 11 52B 0 8,-2.9 7,-2.9 -2,-0.4 8,-1.4 -0.825 14.3-174.4-100.6 132.4 1.3 13.1 31.2 45 45 A R E -DH 10 50B 49 -35,-2.1 -35,-2.6 -2,-0.4 2,-0.4 -0.966 12.3-167.8-128.5 144.5 2.4 9.8 29.7 46 46 A I E > S- H 0 49B 22 3,-2.5 3,-1.5 -2,-0.4 -37,-0.1 -0.995 83.4 -3.4-129.9 123.0 4.1 6.8 31.3 47 47 A G T 3 S- 0 0 89 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.750 131.2 -60.4 68.0 21.9 5.6 4.1 29.1 48 48 A G T 3 S+ 0 0 63 1,-0.3 2,-0.4 -38,-0.0 -1,-0.3 0.229 114.8 113.1 90.0 -14.2 4.2 6.0 26.1 49 49 A A E < S-H 46 0B 59 -3,-1.5 -3,-2.5 1,-0.0 -1,-0.3 -0.750 74.3-111.7 -96.9 139.4 0.6 5.7 27.3 50 50 A V E +H 45 0B 74 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.469 39.1 168.2 -65.9 129.7 -1.5 8.7 28.5 51 51 A V E - 0 0 2 -7,-2.9 19,-2.0 1,-0.4 2,-0.3 0.587 57.1 -45.9-117.7 -19.8 -2.1 8.4 32.2 52 52 A G E -HI 44 69B 3 -8,-1.4 -8,-2.9 17,-0.2 -1,-0.4 -0.988 51.9 -99.0 174.5-171.1 -3.5 11.8 33.0 53 53 A T E -HI 43 68B 55 15,-2.0 15,-2.4 -2,-0.3 2,-0.5 -0.963 42.5 -90.5-137.8 154.4 -3.2 15.6 32.6 54 54 A F E - I 0 67B 0 -12,-2.5 -13,-3.2 -2,-0.3 13,-0.2 -0.514 38.5-176.3 -66.0 116.3 -1.9 18.4 34.7 55 55 A A E - 0 0 39 11,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.848 64.2 -11.1 -82.9 -38.1 -4.9 19.5 36.8 56 56 A A E + I 0 66B 21 10,-1.3 10,-1.7 -17,-0.1 -1,-0.3 -0.985 62.8 174.5-159.5 157.2 -3.2 22.5 38.5 57 57 A R E - I 0 65B 71 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.983 17.2-155.2-164.8 155.3 0.2 24.0 39.0 58 58 A V E - I 0 64B 38 6,-2.6 6,-2.0 -2,-0.3 -23,-0.3 -0.970 22.6-179.0-139.2 120.4 2.1 27.0 40.4 59 59 A F + 0 0 28 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.767 56.1 16.9-172.9 127.3 5.5 28.1 39.1 60 60 A P S S+ 0 0 51 0, 0.0 2,-2.1 0, 0.0 68,-0.2 0.425 120.9 42.0 -78.5-149.4 7.4 30.2 39.9 61 61 A G B S+j 128 0C 36 66,-2.2 68,-2.4 -2,-0.2 2,-0.2 -0.467 136.3 10.9 85.9 -65.5 6.6 31.7 43.3 62 62 A N S S- 0 0 52 -2,-2.1 2,-0.1 66,-0.2 68,-0.1 -0.582 78.0-137.3-122.9-173.5 6.0 28.1 44.4 63 63 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.536 52.8 119.8-152.4 77.5 6.9 25.0 42.4 64 64 A R E + I 0 58B 24 -6,-2.0 -6,-2.6 -30,-0.3 2,-0.3 -0.959 23.4 157.5-142.8 159.4 4.1 22.5 42.7 65 65 A A E -GI 33 57B 0 -32,-1.4 -32,-2.4 -2,-0.3 2,-0.3 -0.966 20.5-147.4-170.4 163.2 1.6 20.6 40.6 66 66 A W E -GI 32 56B 4 -10,-1.7 -11,-2.2 -2,-0.3 -10,-1.3 -0.992 12.7-140.5-144.4 142.4 -0.6 17.5 40.6 67 67 A V E -GI 31 54B 0 -36,-2.8 -36,-1.4 -2,-0.3 2,-0.5 -0.921 13.7-140.2-107.0 123.6 -1.7 15.3 37.7 68 68 A S E -GI 30 53B 34 -15,-2.4 -15,-2.0 -2,-0.5 -38,-0.3 -0.746 28.0-154.5 -83.7 124.3 -5.3 14.0 37.6 69 69 A L E -GI 29 52B 14 -40,-2.8 -40,-0.5 -2,-0.5 -17,-0.2 -0.572 16.8-101.0-102.8 163.4 -5.2 10.4 36.4 70 70 A T > - 0 0 62 -19,-2.0 3,-2.0 -2,-0.2 -1,-0.1 -0.458 37.8-110.6 -76.8 153.1 -7.7 8.1 34.7 71 71 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.636 114.0 70.5 -59.1 -13.0 -9.4 5.6 36.9 72 72 A A T 3 S+ 0 0 74 -21,-0.1 -1,-0.3 2,-0.1 -21,-0.0 0.696 76.5 99.0 -78.5 -20.7 -7.4 2.9 35.1 73 73 A Q S < S- 0 0 12 -3,-2.0 2,-0.7 -22,-0.2 -71,-0.2 -0.331 72.1-131.1 -67.9 150.7 -4.1 3.9 36.8 74 74 A T E -a 2 0A 66 -73,-2.9 -71,-3.0 -45,-0.0 2,-0.4 -0.892 16.2-151.6-109.4 106.8 -2.9 1.9 39.8 75 75 A L E -a 3 0A 31 -2,-0.7 -71,-0.1 -73,-0.2 -73,-0.1 -0.607 15.9-176.4 -79.3 130.9 -1.9 4.1 42.8 76 76 A L E - 0 0 31 -73,-1.6 2,-1.9 -2,-0.4 -54,-0.4 -0.979 31.9-128.3-128.3 140.9 0.7 2.5 45.1 77 77 A P E S+ 0 0 28 0, 0.0 11,-2.6 0, 0.0 2,-0.3 -0.440 73.0 108.0 -84.6 63.9 2.1 4.0 48.3 78 78 A R E - B 0 87A 87 -2,-1.9 -73,-2.8 -75,-0.3 2,-0.4 -0.922 56.5-151.4-140.9 166.3 5.7 3.6 47.2 79 79 A V E -aB 5 86A 0 7,-1.5 7,-3.0 -2,-0.3 -73,-0.2 -0.995 39.5-110.7-134.8 127.5 8.9 5.4 46.1 80 80 A A E + B 0 85A 26 -75,-3.5 5,-0.3 -2,-0.4 2,-0.2 -0.310 36.3 173.9 -63.4 143.1 11.2 3.5 43.8 81 81 A N E > - 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