==== 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 HYDROLASE 10-JUN-99 1QQ4 . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR A.I.DERMAN,T.MAU,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 40.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 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 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 PARALLEL BRIDGES PER LADDER . 1 3 2 3 3 3 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 1 0 0 0 0 2 0 0 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 1 A A 0 0 51 0, 0.0 73,-2.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 156.5 22.5 11.3 6.3 2 2 A N E -a 74 0A 96 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.813 360.0-137.8 -91.9 122.3 25.5 13.5 5.8 3 3 A I E +a 75 0A 0 71,-3.0 73,-1.1 -2,-0.6 2,-0.4 -0.732 35.0 161.5 -88.1 109.4 25.8 16.1 8.6 4 4 A V E > - 0 0 13 -2,-0.8 3,-1.4 71,-0.1 15,-0.3 -0.981 43.0-103.2-128.9 136.9 26.8 19.4 7.2 5 5 A G E 3 S+a 79 0A 0 73,-2.8 75,-3.1 -2,-0.4 15,-0.2 -0.302 101.8 25.1 -61.2 140.5 26.4 22.8 8.9 6 6 A G T 3 S+ 0 0 4 13,-3.1 -1,-0.2 1,-0.3 102,-0.1 0.151 88.0 128.2 95.7 -19.0 23.6 25.0 7.7 7 7 A I < - 0 0 43 -3,-1.4 12,-2.4 11,-0.1 -1,-0.3 -0.317 61.6-100.9 -75.6 155.7 21.3 22.2 6.3 8 8 A E E +C 18 0B 94 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.418 40.5 169.1 -75.6 144.4 17.7 21.8 7.1 9 9 A Y E -C 17 0B 1 8,-1.9 8,-2.4 -2,-0.1 2,-0.3 -0.974 24.1-130.7-149.3 151.8 16.3 19.3 9.6 10 10 A S E -CD 16 45B 18 35,-2.4 35,-1.9 -2,-0.3 2,-0.5 -0.760 8.4-141.5-107.5 156.2 12.9 18.9 11.2 11 11 A I E >> S-CD 15 44B 8 4,-2.3 3,-2.1 -2,-0.3 4,-0.7 -0.971 81.7 -20.2-120.0 119.4 11.9 18.5 14.8 12 12 A N T 34 S- 0 0 86 31,-2.9 -1,-0.2 -2,-0.5 32,-0.1 0.856 118.5 -66.4 50.3 40.2 9.1 16.1 15.7 13 13 A N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.718 129.8 73.6 57.3 24.4 7.9 16.3 12.1 14 14 A A T <4 S+ 0 0 73 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.504 77.5 44.2-126.6 -89.8 7.0 20.0 12.7 15 15 A S E < -C 11 0B 75 -4,-0.7 -4,-2.3 22,-0.1 2,-0.4 -0.223 64.0-143.1 -65.4 156.0 9.5 22.9 13.1 16 16 A L E +C 10 0B 58 -6,-0.2 2,-0.2 -3,-0.1 -6,-0.2 -0.983 26.7 161.2-122.9 130.4 12.4 23.3 10.7 17 17 A a E -C 9 0B 6 -8,-2.4 -8,-1.9 -2,-0.4 2,-0.4 -0.723 35.0-101.9-133.2-175.5 15.8 24.5 11.9 18 18 A S E -C 8 0B 0 125,-3.0 16,-0.3 -2,-0.2 -10,-0.2 -0.902 32.2-109.3-117.7 144.5 19.4 24.5 10.6 19 19 A V - 0 0 0 -12,-2.4 -13,-3.1 -2,-0.4 127,-1.0 -0.436 25.4-164.4 -69.1 139.7 22.3 22.2 11.6 20 20 A G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.905 55.5 -31.5 -87.4 -80.1 25.1 24.0 13.6 21 21 A F E -E 32 0B 2 11,-0.9 11,-2.1 -16,-0.1 -1,-0.2 -0.999 54.0-109.5-148.2 145.9 28.2 21.8 13.6 22 22 A S E +E 31 0B 5 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.521 48.7 167.1 -69.7 135.2 29.2 18.1 13.7 23 23 A V E -EF 30 195B 0 7,-2.8 7,-1.9 172,-0.2 2,-0.3 -0.921 26.5-138.8-144.8 167.1 30.6 17.1 17.1 24 24 A T E -EF 29 194B 49 170,-2.1 170,-2.5 -2,-0.3 2,-0.3 -0.940 5.8-165.9-129.1 152.9 31.5 14.0 19.1 25 25 A R E > S-E 28 0B 127 3,-2.4 3,-2.0 -2,-0.3 2,-0.3 -0.792 72.8 -61.7-135.8 85.6 30.9 13.2 22.7 26 26 A G T 3 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.555 120.8 -14.9 69.4-130.0 33.2 10.2 23.2 27 27 A A T 3 S+ 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.576 117.6 102.8 -80.9 -9.5 31.8 7.5 20.9 28 28 A T E < -E 25 0B 61 -3,-2.0 -3,-2.4 1,-0.0 2,-0.2 -0.600 62.2-146.5 -82.2 132.4 28.5 9.4 20.4 29 29 A K E +EG 24 69B 66 40,-0.5 40,-2.7 -2,-0.3 2,-0.3 -0.637 34.2 137.0 -91.3 151.5 28.0 11.3 17.2 30 30 A G E -EG 23 68B 0 -7,-1.9 -7,-2.8 38,-0.3 2,-0.3 -0.981 40.1-123.4-172.7-179.2 26.0 14.5 17.2 31 31 A F E -EG 22 67B 0 36,-1.6 36,-2.8 -2,-0.3 2,-0.2 -0.993 21.5-129.2-143.9 143.1 25.5 18.1 16.1 32 32 A V E +EG 21 66B 0 -11,-2.1 -12,-1.8 -2,-0.3 -11,-0.9 -0.633 38.6 149.8 -88.6 153.7 25.0 21.3 18.0 33 33 A T E - G 0 65B 0 32,-2.3 32,-1.5 -2,-0.2 2,-0.3 -0.846 49.1 -52.3-161.0-169.8 22.1 23.7 17.2 34 34 A A > - 0 0 0 -16,-0.3 3,-1.3 -2,-0.2 30,-0.3 -0.611 36.7-136.6 -84.6 142.4 19.8 26.2 18.9 35 35 A G G > S+ 0 0 0 23,-0.3 3,-1.3 -2,-0.3 24,-0.2 0.821 102.0 62.6 -65.4 -31.6 18.0 25.3 22.1 36 36 A H G 3 S+ 0 0 61 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.578 89.2 73.8 -72.9 -4.4 14.7 26.9 20.9 37 37 A a G < S- 0 0 7 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.694 109.4 -5.6 -79.9 -20.7 14.6 24.4 18.0 38 38 A G < - 0 0 7 -3,-1.3 -1,-0.2 -4,-0.3 2,-0.2 -0.979 59.4-117.7-171.7 158.4 13.6 21.5 20.2 39 39 A T > - 0 0 75 -2,-0.3 3,-2.3 1,-0.1 15,-0.3 -0.594 57.0 -72.9 -96.9 159.8 12.9 19.9 23.6 40 40 A V T 3 S+ 0 0 69 1,-0.3 15,-0.2 -2,-0.2 -1,-0.1 -0.257 121.2 17.1 -54.8 134.1 14.8 17.0 25.1 41 41 A N T 3 S+ 0 0 124 13,-3.0 -1,-0.3 1,-0.3 14,-0.1 0.322 88.2 145.0 83.7 -4.7 13.9 13.7 23.4 42 42 A A < - 0 0 2 -3,-2.3 12,-2.5 12,-0.1 2,-0.5 -0.364 52.1-115.0 -64.3 144.8 12.5 15.5 20.3 43 43 A T E - H 0 53B 34 10,-0.2 -31,-2.9 -3,-0.1 -30,-0.4 -0.715 23.6-153.0 -90.4 127.3 13.1 13.6 17.1 44 44 A A E -DH 11 52B 0 8,-2.7 7,-2.7 -2,-0.5 8,-1.3 -0.798 12.6-172.0 -99.4 137.7 15.3 15.1 14.4 45 45 A R E -DH 10 50B 56 -35,-1.9 -35,-2.4 -2,-0.4 2,-0.4 -0.973 10.3-174.7-130.6 144.5 14.9 14.1 10.7 46 46 A I E > S+ H 0 49B 23 3,-2.3 3,-1.8 -2,-0.4 -37,-0.1 -0.997 79.4 0.0-136.6 130.4 16.9 14.9 7.6 47 47 A G T 3 S- 0 0 86 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.802 131.4 -59.9 61.7 27.6 15.7 13.9 4.1 48 48 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -38,-0.0 -1,-0.3 0.362 115.4 108.8 83.2 -5.2 12.6 12.4 5.7 49 49 A A E < S-H 46 0B 56 -3,-1.8 -3,-2.3 1,-0.0 2,-0.3 -0.816 75.6-109.2-109.2 146.3 14.6 9.9 7.8 50 50 A V E +H 45 0B 74 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.522 37.6 170.0 -69.3 130.6 15.1 9.9 11.6 51 51 A V E - 0 0 1 -7,-2.7 19,-2.2 1,-0.4 2,-0.3 0.583 55.3 -54.2-117.0 -18.2 18.7 10.8 12.3 52 52 A G E -HI 44 69B 5 -8,-1.3 -8,-2.7 17,-0.3 -1,-0.4 -0.989 51.2 -92.2 169.3-166.5 18.7 11.3 16.1 53 53 A T E -HI 43 68B 51 15,-2.1 15,-2.6 -2,-0.3 2,-0.4 -0.967 41.9 -90.7-140.4 155.0 17.1 13.0 19.1 54 54 A F E - I 0 67B 0 -12,-2.5 -13,-3.0 -15,-0.3 13,-0.3 -0.523 36.8-174.0 -66.9 119.6 17.7 16.1 21.2 55 55 A A E - 0 0 35 11,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.819 62.9 -16.7 -85.0 -34.8 20.0 15.0 24.0 56 56 A A E + I 0 66B 22 10,-1.2 10,-1.8 -17,-0.1 -1,-0.3 -0.976 60.9 179.0-166.3 158.5 20.0 18.3 26.0 57 57 A R E - I 0 65B 73 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.986 18.2-151.8-163.9 157.0 19.1 21.9 25.7 58 58 A V E + I 0 64B 39 6,-2.6 6,-2.2 -2,-0.3 -23,-0.3 -0.962 27.4 178.0-137.4 116.5 19.0 25.3 27.5 59 59 A F + 0 0 26 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.807 53.4 19.2-171.3 130.0 16.4 27.9 26.4 60 60 A P S S+ 0 0 51 0, 0.0 2,-1.8 0, 0.0 68,-0.2 0.502 121.7 40.5 -79.3-152.9 15.7 30.6 27.3 61 61 A G B S+j 128 0C 31 66,-2.3 68,-2.1 -2,-0.2 2,-0.2 -0.461 136.6 13.8 87.5 -64.3 18.5 32.1 29.5 62 62 A N S S- 0 0 50 -2,-1.8 68,-0.1 66,-0.2 2,-0.1 -0.586 78.4-137.5-121.4-175.0 20.9 30.6 26.9 63 63 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.519 53.3 118.9-150.6 76.5 19.9 29.2 23.5 64 64 A R E + I 0 58B 18 -6,-2.2 -6,-2.6 -30,-0.3 2,-0.3 -0.958 23.4 154.9-142.9 158.4 21.8 25.9 22.9 65 65 A A E -GI 33 57B 0 -32,-1.5 -32,-2.3 -2,-0.3 2,-0.4 -0.976 22.7-142.1-170.8 163.9 21.3 22.2 22.3 66 66 A W E -GI 32 56B 16 -10,-1.8 -11,-2.4 -2,-0.3 -10,-1.2 -0.997 11.6-142.3-141.6 143.1 22.8 19.2 20.8 67 67 A V E -GI 31 54B 0 -36,-2.8 -36,-1.6 -2,-0.4 2,-0.5 -0.921 14.2-141.1-106.0 122.7 21.3 16.3 18.9 68 68 A S E -GI 30 53B 29 -15,-2.6 -15,-2.1 -2,-0.5 -38,-0.3 -0.755 25.7-152.5 -85.3 125.6 22.6 12.8 19.6 69 69 A L E -GI 29 52B 14 -40,-2.7 -40,-0.5 -2,-0.5 -17,-0.3 -0.609 16.3-104.0-101.4 158.2 22.8 10.9 16.3 70 70 A T > - 0 0 63 -19,-2.2 3,-1.9 -2,-0.2 -1,-0.1 -0.398 38.6-109.2 -73.0 156.8 22.6 7.2 15.4 71 71 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.697 114.4 70.4 -60.7 -18.7 25.9 5.6 14.4 72 72 A A T 3 S+ 0 0 77 2,-0.1 -1,-0.3 -21,-0.1 2,-0.1 0.668 78.0 99.7 -73.7 -16.9 24.7 5.4 10.8 73 73 A Q S < S- 0 0 10 -3,-1.9 2,-0.7 -22,-0.2 -71,-0.2 -0.355 72.1-130.7 -71.5 152.0 25.0 9.2 10.4 74 74 A T E -a 2 0A 60 -73,-2.6 -71,-3.0 -2,-0.1 2,-0.3 -0.895 16.1-151.2-110.0 107.3 28.0 10.6 8.7 75 75 A L E -a 3 0A 30 -2,-0.7 -71,-0.1 -73,-0.2 -44,-0.1 -0.587 16.8-172.8 -77.3 134.3 29.8 13.5 10.6 76 76 A L E - 0 0 35 -73,-1.1 2,-1.6 -2,-0.3 -54,-0.5 -0.986 30.9-132.8-133.0 140.5 31.5 16.0 8.4 77 77 A P E S+ 0 0 18 0, 0.0 11,-2.8 0, 0.0 2,-0.3 -0.319 74.4 101.4 -84.0 54.2 33.8 19.0 9.2 78 78 A R E - B 0 87A 90 -2,-1.6 -73,-2.8 -75,-0.4 2,-0.4 -0.939 55.6-152.9-141.7 161.7 32.0 21.3 6.9 79 79 A V E -aB 5 86A 0 7,-2.0 7,-2.6 -2,-0.3 2,-0.2 -0.987 36.1-108.8-130.6 137.8 29.4 24.1 6.5 80 80 A A E + B 0 85A 19 -75,-3.1 2,-0.4 -2,-0.4 5,-0.2 -0.480 31.8 176.6 -73.1 134.7 27.3 24.6 3.4 81 81 A N E > - 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