==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 06-SEP-95 1GBJ . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR J.E.MACE,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 67.7 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 . 79 39.9 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 . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.6 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 4 2 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 15AA A 0 0 53 0, 0.0 73,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.9 22.6 11.8 6.4 2 15BA N E -a 74 0A 100 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.835 360.0-135.8 -91.3 126.2 25.8 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.3 73,-1.6 -2,-0.5 2,-0.3 -0.809 35.6 161.7 -95.1 113.5 25.9 16.4 8.9 4 17 A V E > - 0 0 13 -2,-0.7 3,-1.3 71,-0.1 15,-0.3 -0.959 44.4-102.4-129.3 138.4 27.1 19.7 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.0 75,-2.9 -2,-0.3 15,-0.2 -0.357 103.3 29.0 -63.4 138.5 26.6 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.2 -1,-0.2 1,-0.3 102,-0.1 0.198 87.1 124.4 102.2 -16.4 23.8 25.2 7.7 7 31 A I < - 0 0 46 -3,-1.3 12,-2.3 97,-0.1 -1,-0.3 -0.321 62.4-100.1 -82.6 162.9 21.5 22.4 6.5 8 32 A E E +C 18 0B 82 10,-0.2 2,-0.3 96,-0.1 39,-0.2 -0.506 38.6 168.8 -78.7 143.9 17.8 22.0 7.4 9 33 A Y E -C 17 0B 1 8,-1.8 8,-2.0 -2,-0.2 2,-0.3 -0.974 23.5-135.2-145.0 152.5 16.4 19.6 10.0 10 34 A S E -CD 16 45B 20 35,-2.2 35,-2.0 -2,-0.3 2,-0.5 -0.751 8.6-139.0-108.9 160.0 12.9 19.4 11.5 11 35 A I E >> S-CD 15 44B 8 4,-2.2 3,-2.0 -2,-0.3 4,-0.7 -0.983 81.1 -18.5-122.6 120.0 11.9 19.0 15.1 12 36 A N T 34 S- 0 0 85 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.859 118.3 -66.4 49.7 43.8 9.0 16.7 15.9 13 38 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.679 128.4 68.8 54.5 25.9 7.8 16.9 12.4 14 39 A A T <4 S+ 0 0 76 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.532 80.2 45.0-133.1 -84.9 6.9 20.6 12.7 15 40 A S E < -C 11 0B 73 -4,-0.7 -4,-2.2 22,-0.1 -1,-0.4 -0.285 64.2-142.6 -68.7 158.1 9.5 23.5 13.2 16 41 A L E +C 10 0B 64 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.882 24.8 162.8-116.6 148.9 12.6 23.8 11.1 17 42 A a E -C 9 0B 6 -8,-2.0 -8,-1.8 -2,-0.3 2,-0.3 -0.863 34.0-105.7-147.9-176.4 16.0 25.0 12.2 18 43 A S E -C 8 0B 0 125,-2.7 16,-0.3 -2,-0.3 -10,-0.2 -0.898 31.1-106.1-122.6 149.6 19.6 24.7 10.8 19 44 A V - 0 0 0 -12,-2.3 -13,-3.2 -2,-0.3 127,-0.8 -0.514 27.0-165.3 -72.9 137.2 22.5 22.5 11.9 20 44AA G - 0 0 0 12,-1.9 2,-0.3 125,-0.3 126,-0.3 0.919 56.6 -30.9 -87.7 -74.5 25.2 24.4 13.7 21 45 A F E -E 32 0B 2 11,-0.9 11,-2.1 -16,-0.1 -1,-0.3 -0.994 55.2-108.6-153.1 142.5 28.4 22.1 13.8 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.504 47.3 167.1 -66.0 134.0 29.3 18.4 14.0 23 47 A V E -EF 30 195B 0 7,-2.4 7,-2.0 172,-0.2 2,-0.3 -0.916 24.2-142.4-142.6 164.8 30.7 17.5 17.4 24 48 A T E -EF 29 194B 47 170,-2.2 170,-2.7 -2,-0.3 2,-0.3 -0.957 6.0-163.1-128.6 156.1 31.4 14.3 19.4 25 48AA R E > S-E 28 0B 117 3,-2.6 3,-2.1 -2,-0.3 168,-0.1 -0.832 72.7 -57.7-133.2 92.8 31.0 13.5 23.0 26 48BA G T 3 S- 0 0 70 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.473 122.5 -17.1 65.2-136.2 33.2 10.4 23.5 27 48CA A T 3 S+ 0 0 106 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.552 118.1 104.3 -70.6 -10.5 31.9 7.8 21.1 28 49 A T E < -E 25 0B 59 -3,-2.1 -3,-2.6 40,-0.0 2,-0.3 -0.622 61.6-147.3 -82.8 131.8 28.6 9.8 20.7 29 50 A K E +E 24 0B 61 40,-0.5 40,-2.6 -2,-0.4 2,-0.3 -0.639 33.0 144.5 -88.5 148.7 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.0 -7,-2.4 38,-0.3 2,-0.3 -0.957 36.7-132.4-164.3-179.6 26.0 15.0 17.7 31 52 A F E -EG 22 67B 0 36,-1.4 36,-2.4 -2,-0.3 2,-0.3 -0.978 21.8-126.3-144.2 148.7 25.6 18.6 16.4 32 53 A V E +EG 21 66B 0 -11,-2.1 -12,-1.9 -2,-0.3 -11,-0.9 -0.667 38.4 154.0 -92.1 151.4 25.1 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.6 -2,-0.3 2,-0.3 -0.839 49.0 -56.6-157.9-170.3 22.2 24.1 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.5 -2,-0.2 4,-0.4 -0.644 37.9-135.2 -87.5 141.2 20.0 26.7 19.1 35 56 A G G > S+ 0 0 0 23,-0.4 3,-1.0 -2,-0.3 24,-0.2 0.840 102.1 62.8 -64.9 -31.1 18.1 25.7 22.4 36 57 A H G 3 S+ 0 0 63 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.616 87.8 76.1 -73.8 -10.6 14.9 27.4 21.2 37 58 A a G < S- 0 0 9 -3,-1.5 2,-0.3 1,-0.1 -1,-0.2 0.827 109.6 -11.1 -70.0 -28.8 14.7 24.9 18.3 38 59 A G < - 0 0 7 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.1 -0.973 62.8-115.7-162.0 165.1 13.5 21.9 20.4 39 59AA T > - 0 0 75 -2,-0.3 3,-2.2 1,-0.1 15,-0.3 -0.725 58.5 -67.7-102.8 165.1 13.0 20.5 23.9 40 59BA V T 3 S+ 0 0 65 1,-0.3 15,-0.2 -2,-0.3 -1,-0.1 -0.265 123.2 16.5 -55.6 134.4 15.0 17.6 25.4 41 60 A N T 3 S+ 0 0 123 13,-2.9 -1,-0.3 1,-0.3 14,-0.1 0.311 87.4 144.6 77.1 3.8 14.1 14.3 23.6 42 61 A A < - 0 0 3 -3,-2.2 12,-2.3 1,-0.1 2,-0.4 -0.389 54.3-111.6 -64.1 142.7 12.5 16.0 20.7 43 62 A T E - H 0 53B 36 10,-0.2 -31,-2.6 -3,-0.1 2,-0.4 -0.690 25.5-154.5 -87.7 129.9 13.1 14.1 17.4 44 64 A A E -DH 11 52B 0 8,-2.7 7,-2.5 -2,-0.4 8,-1.1 -0.830 12.0-172.5-105.1 134.1 15.3 15.6 14.8 45 65 A R E -DH 10 50B 50 -35,-2.0 -35,-2.2 -2,-0.4 2,-0.4 -0.983 11.4-166.0-129.1 142.2 14.9 14.6 11.1 46 66 A I E > S- H 0 49B 22 3,-2.4 3,-1.7 -2,-0.4 -37,-0.1 -0.999 83.1 -8.1-128.5 124.5 17.0 15.4 8.1 47 67 A G T 3 S- 0 0 86 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.837 131.0 -56.2 59.3 37.5 15.4 14.7 4.7 48 81 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.357 115.4 111.3 78.9 -5.4 12.5 13.0 6.3 49 82 A A E < S-H 46 0B 56 -3,-1.7 -3,-2.4 1,-0.0 2,-0.3 -0.821 73.7-114.3-105.0 143.3 14.7 10.4 8.2 50 83 A V E +H 45 0B 74 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.544 37.2 170.4 -69.7 127.7 15.2 10.4 12.0 51 84 A V E - 0 0 1 -7,-2.5 19,-2.2 1,-0.4 2,-0.3 0.621 55.6 -52.5-117.0 -19.4 18.8 11.2 12.8 52 85 A G E -HI 44 69B 5 -8,-1.1 -8,-2.7 17,-0.3 -1,-0.4 -0.981 52.2 -94.8 170.5-166.5 18.7 11.7 16.6 53 87 A T E -HI 43 68B 52 15,-1.9 15,-2.4 -2,-0.3 2,-0.3 -0.954 42.9 -88.0-140.3 156.9 17.1 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.3 -13,-2.9 -15,-0.3 13,-0.3 -0.565 37.9-174.5 -66.9 124.5 17.7 16.6 21.5 55 88AA A E - 0 0 36 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.788 63.3 -13.7 -90.3 -37.0 20.1 15.7 24.4 56 89 A A E + I 0 66B 21 10,-1.3 10,-1.7 -17,-0.1 -1,-0.4 -0.975 62.3 174.2-163.3 152.7 20.2 18.9 26.3 57 90 A R E - I 0 65B 76 -2,-0.3 2,-0.3 8,-0.2 8,-0.3 -0.973 18.2-154.9-158.4 162.2 19.2 22.6 25.8 58 91 A V E + I 0 64B 39 6,-2.4 6,-2.4 -2,-0.3 -23,-0.4 -0.927 25.2 177.9-143.9 118.3 19.1 25.9 27.7 59 94 A F + 0 0 24 -2,-0.3 4,-0.2 4,-0.2 2,-0.1 -0.842 55.2 21.9-161.9 136.4 16.6 28.5 26.4 60 95 A P S S+ 0 0 48 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.568 121.2 41.2 -80.9-153.8 15.8 31.2 27.4 61 100 A G B S+j 128 0C 34 66,-2.4 68,-2.4 -2,-0.1 2,-0.2 -0.590 138.2 8.5 91.0 -69.1 18.7 32.7 29.6 62 101 A N S S- 0 0 52 -2,-1.6 2,-0.1 66,-0.2 68,-0.1 -0.580 77.9-136.6-121.5-177.6 21.1 31.2 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.579 52.4 121.1-145.6 86.1 20.1 29.6 23.7 64 103 A R E + I 0 58B 18 -6,-2.4 -6,-2.4 -30,-0.3 2,-0.3 -0.966 23.0 160.0-150.0 152.4 22.0 26.4 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.2 -2,-0.3 2,-0.3 -0.963 21.0-148.3-162.3 160.2 21.4 22.7 22.5 66 105 A W E -GI 32 56B 12 -10,-1.7 -11,-2.6 -2,-0.3 -10,-1.3 -0.986 11.3-147.8-137.8 146.9 23.0 19.6 21.1 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.4 -2,-0.3 2,-0.5 -0.950 14.8-137.8-110.4 123.9 21.3 16.7 19.4 68 107 A S E -GI 30 53B 30 -15,-2.4 -15,-1.9 -2,-0.4 -38,-0.3 -0.807 25.1-150.8 -91.4 132.1 22.8 13.2 19.8 69 108 A L E - I 0 52B 14 -40,-2.6 -40,-0.5 -2,-0.5 -17,-0.3 -0.547 16.4-104.8 -99.5 158.1 22.8 11.3 16.6 70 109 A T > - 0 0 65 -19,-2.2 3,-1.7 -2,-0.2 -1,-0.1 -0.460 39.9-108.4 -73.9 162.3 22.6 7.7 15.8 71 110 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.1 -20,-0.0 0.592 112.3 73.9 -72.1 -12.5 25.9 6.1 14.7 72 111 A A T 3 S+ 0 0 73 -21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.583 77.1 99.0 -73.3 -13.8 24.7 5.9 11.1 73 112 A Q S < S- 0 0 11 -3,-1.7 2,-0.6 -22,-0.2 -71,-0.2 -0.489 71.2-135.8 -77.6 146.9 25.1 9.6 10.7 74 113 A T E -a 2 0A 63 -73,-2.3 -71,-3.3 -2,-0.2 2,-0.4 -0.936 14.9-151.7-109.5 113.2 28.3 11.0 9.0 75 114 A L E -a 3 0A 28 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.667 15.8-170.4 -83.6 133.4 29.8 13.9 10.8 76 119 A L E - 0 0 34 -73,-1.6 2,-1.7 -2,-0.4 -54,-0.5 -0.973 31.1-130.2-130.2 144.1 31.7 16.3 8.6 77 120 A P E S+ 0 0 17 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.273 75.5 105.3 -79.7 51.0 34.0 19.3 9.5 78 120AA R E - B 0 87A 93 -2,-1.7 -73,-3.0 -75,-0.3 2,-0.4 -0.945 55.6-153.9-141.4 154.2 32.1 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.9 7,-2.2 -2,-0.3 -73,-0.2 -0.981 35.5-113.0-122.8 137.0 29.6 24.4 6.7 80 120CA A E + B 0 85A 18 -75,-2.9 5,-0.2 -2,-0.4 2,-0.2 -0.463 32.0 175.9 -73.9 136.6 27.5 24.7 3.5 81 120DA N E > - 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