==== 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/HYDROLASE INHIBITOR 29-MAY-90 5SGA . COMPND 2 MOLECULE: PROTEINASE A (SGPA); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR A.R.SIELECKI,M.N.G.JAMES . 185 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 42.2 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 5.9 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 1 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 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 0 PARALLEL BRIDGES PER LADDER . 0 2 4 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 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 E I 0 0 54 0, 0.0 67,-1.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 132.1 -3.7 4.8 28.5 2 17 E A > - 0 0 0 1,-0.2 3,-1.7 65,-0.1 14,-0.3 -0.531 360.0 -62.4-112.0 176.7 -5.4 4.9 25.0 3 18 E G B 3 S+a 71 0A 0 67,-3.2 69,-2.8 65,-0.3 14,-0.2 -0.215 118.5 26.9 -57.9 146.6 -7.2 7.5 22.9 4 19 E G T 3 S+ 0 0 0 12,-3.3 -1,-0.2 1,-0.3 97,-0.2 0.318 92.3 122.4 84.5 -6.2 -10.4 8.9 24.4 5 29 E E < - 0 0 47 -3,-1.7 11,-2.8 92,-0.1 -1,-0.3 -0.492 68.8 -86.3 -90.7 161.8 -9.4 8.3 28.1 6 30 E A E -C 15 0B 42 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.327 37.5-179.2 -70.3 141.9 -9.2 10.9 30.8 7 31 E I E -C 14 0B 1 7,-2.1 7,-2.6 -2,-0.1 2,-0.3 -0.974 15.9-168.9-131.5 139.3 -6.2 13.0 31.4 8 32 E T E -C 13 0B 57 -2,-0.4 34,-2.6 5,-0.2 2,-0.3 -0.906 24.1-169.0-134.4 164.1 -6.3 15.6 34.3 9 33 E T E > S-C 12 0B 15 3,-2.1 3,-3.2 -2,-0.3 32,-0.1 -0.919 73.5 -44.9-148.2 119.9 -4.4 18.5 35.8 10 34 E G T 3 S- 0 0 80 -2,-0.3 -1,-0.1 1,-0.3 32,-0.1 -0.270 127.3 -21.2 50.6-131.3 -5.5 19.7 39.2 11 39 E G T 3 S+ 0 0 91 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.324 117.0 102.8 -88.4 6.1 -9.4 19.8 39.0 12 40 E S E < -C 9 0B 44 -3,-3.2 -3,-2.1 22,-0.0 2,-0.4 -0.752 49.8-166.2 -94.4 142.0 -9.5 19.9 35.1 13 41 E R E +C 8 0B 104 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.982 16.3 155.1-130.2 136.4 -10.3 17.0 32.9 14 42 E a E -C 7 0B 5 -7,-2.6 -7,-2.1 -2,-0.4 2,-0.3 -0.686 39.3-103.1-132.8-170.7 -9.9 16.5 29.1 15 43 E S E -C 6 0B 0 122,-3.2 16,-0.4 -9,-0.2 2,-0.2 -0.872 29.2-109.5-121.2 152.4 -9.5 13.3 27.0 16 44 E L - 0 0 0 -11,-2.8 -12,-3.3 -2,-0.3 124,-0.6 -0.575 26.4-165.1 -76.9 139.0 -6.3 11.9 25.3 17 45 E G - 0 0 0 12,-2.8 2,-0.3 1,-0.3 123,-0.2 0.939 59.8 -26.2 -88.3 -71.3 -6.4 12.3 21.5 18 46 E F E -D 29 0C 4 11,-0.8 11,-2.9 -15,-0.1 2,-0.3 -0.993 53.3-122.4-148.2 143.5 -3.7 9.9 20.2 19 47 E N E +D 28 0C 4 49,-0.4 162,-2.2 -2,-0.3 2,-0.3 -0.682 45.0 174.1 -82.7 137.0 -0.4 8.4 21.5 20 48 E V E -DE 27 180C 0 7,-3.0 7,-3.0 -2,-0.3 2,-0.4 -0.882 27.9-123.3-139.4 171.7 2.4 9.5 19.1 21 48AE S E -DE 26 179C 20 158,-3.0 158,-2.0 -2,-0.3 2,-0.5 -0.946 11.3-169.1-121.3 139.2 6.1 9.3 18.7 22 48BE V E > S-DE 25 178C 25 3,-2.2 3,-2.5 -2,-0.4 156,-0.2 -0.967 85.6 -29.0-123.9 107.7 8.5 12.2 18.2 23 48CE N T 3 S- 0 0 155 154,-0.5 3,-0.1 -2,-0.5 -1,-0.1 0.865 127.6 -47.4 48.6 46.9 12.0 10.8 17.2 24 48DE G T 3 S+ 0 0 69 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.244 112.5 122.9 79.4 -6.3 11.2 7.6 19.2 25 49 E V E < -D 22 0C 46 -3,-2.5 -3,-2.2 1,-0.0 2,-0.3 -0.797 63.7-121.5 -96.0 123.1 9.9 9.5 22.3 26 50 E A E +D 21 0C 16 -2,-0.5 35,-1.8 -5,-0.2 2,-0.3 -0.462 42.2 158.9 -67.7 126.5 6.4 8.7 23.4 27 51 E H E -DF 20 60C 17 -7,-3.0 -7,-3.0 -2,-0.3 2,-0.4 -0.836 30.3-132.3-138.7 172.0 4.0 11.7 23.6 28 52 E A E -DF 19 59C 1 31,-2.8 31,-2.2 -2,-0.3 2,-0.3 -0.999 12.1-142.8-132.2 134.1 0.2 12.2 23.6 29 53 E L E +DF 18 58C 0 -11,-2.9 -12,-2.8 -2,-0.4 -11,-0.8 -0.740 32.0 152.1 -92.5 148.4 -1.8 14.7 21.5 30 54 E T E - F 0 57C 1 27,-2.2 27,-1.8 -2,-0.3 2,-0.2 -0.767 51.3 -55.5-154.1-171.6 -4.8 16.5 23.1 31 55 E A >> - 0 0 0 -16,-0.4 4,-2.1 25,-0.2 3,-0.8 -0.548 37.5-136.1 -79.4 146.2 -6.6 19.8 22.6 32 56 E G H 3> S+ 0 0 0 18,-0.3 4,-2.3 1,-0.2 19,-0.2 0.844 105.0 61.9 -66.1 -34.3 -4.6 23.0 22.9 33 57 E H H 34 S+ 0 0 25 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.756 108.7 46.2 -66.4 -19.7 -7.3 24.7 25.0 34 58 E a H X> S+ 0 0 0 -3,-0.8 3,-1.7 2,-0.1 4,-0.5 0.941 111.8 46.6 -83.2 -52.6 -6.6 21.9 27.5 35 59 E T H 3< S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.3 -2,-0.2 0.737 100.5 69.8 -62.8 -22.0 -2.7 22.1 27.5 36 62 E N T 3< S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.789 89.5 66.7 -63.0 -27.9 -3.0 25.9 27.8 37 63 E I T <4 S- 0 0 91 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.910 116.0 -19.2 -57.8 -49.6 -4.2 25.3 31.4 38 64 E S < - 0 0 32 -4,-0.5 -1,-0.2 -3,-0.4 8,-0.0 -0.985 42.5-129.9-157.0 162.8 -1.0 23.8 32.9 39 65 E A S S+ 0 0 42 -2,-0.3 7,-2.8 -3,-0.1 2,-0.6 0.595 90.5 78.7 -88.5 -17.5 2.3 22.2 32.1 40 65AE S E +G 45 0C 86 5,-0.2 2,-0.3 19,-0.0 5,-0.2 -0.860 57.7 169.4-105.2 119.4 1.6 19.3 34.6 41 66 E W E > -G 44 0C 12 3,-2.8 3,-1.2 -2,-0.6 -32,-0.2 -0.846 48.9-108.2-122.3 158.9 -0.7 16.4 33.7 42 84 E S T 3 S+ 0 0 73 -34,-2.6 -33,-0.1 -2,-0.3 3,-0.1 0.813 121.4 40.5 -51.5 -35.7 -1.5 13.1 35.1 43 85 E I T 3 S- 0 0 21 -35,-0.2 19,-2.6 1,-0.1 20,-0.6 0.491 125.5 -69.2 -95.0 -7.8 0.5 11.4 32.3 44 86 E G E < -GH 41 61C 5 -3,-1.2 -3,-2.8 17,-0.2 2,-0.4 -0.993 68.4 -31.1 157.6-159.0 3.4 13.7 32.0 45 87 E T E -GH 40 60C 84 15,-1.4 15,-3.2 -2,-0.3 -5,-0.2 -0.882 51.0-117.3-108.7 135.8 4.7 17.2 31.1 46 88 E R E + H 0 59C 77 -7,-2.8 13,-0.3 -2,-0.4 3,-0.1 -0.457 30.1 175.6 -63.7 133.0 3.3 19.4 28.4 47 89 E T E + 0 0 83 11,-2.5 2,-0.3 1,-0.3 12,-0.2 0.363 64.8 13.0-119.9 3.3 5.9 20.1 25.6 48 90 E G E + H 0 58C 13 10,-1.4 10,-2.5 -13,-0.0 -1,-0.3 -0.929 56.5 179.3-171.6 150.3 3.8 22.2 23.2 49 91 E T E - H 0 57C 53 -2,-0.3 2,-0.3 8,-0.3 8,-0.2 -0.960 5.5-179.3-157.2 146.7 0.5 24.0 23.0 50 93 E S E + H 0 56C 33 6,-2.2 6,-1.7 -2,-0.3 -18,-0.3 -0.807 18.6 172.3-152.5 102.0 -1.4 26.1 20.4 51 94 E F + 0 0 29 -2,-0.3 2,-0.2 -19,-0.2 4,-0.1 -0.916 49.4 20.7-162.7 137.7 -4.9 27.6 21.1 52 99AE P S S+ 0 0 55 0, 0.0 2,-2.5 0, 0.0 70,-0.2 0.424 121.5 34.8 -83.2-151.8 -6.8 29.5 19.8 53 100 E N B S+i 122 0D 90 68,-2.1 70,-2.2 -2,-0.2 2,-0.2 -0.551 135.4 27.3 81.8 -72.2 -6.3 29.8 15.9 54 101 E N S S- 0 0 18 -2,-2.5 70,-0.1 68,-0.2 71,-0.0 -0.462 77.2-146.0-101.7 178.7 -5.4 26.1 16.2 55 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 112,-0.3 -0.364 55.1 104.0-145.7 67.7 -6.6 23.7 18.9 56 103 E Y E + H 0 50C 22 -6,-1.7 -6,-2.2 -25,-0.3 2,-0.3 -0.967 32.4 170.8-145.6 159.6 -3.8 21.1 19.6 57 104 E G E -FH 30 49C 0 -27,-1.8 -27,-2.2 -2,-0.3 2,-0.3 -0.945 18.5-139.9-159.9 163.7 -1.2 20.5 22.3 58 105 E I E -FH 29 48C 2 -10,-2.5 -11,-2.5 -2,-0.3 -10,-1.4 -0.986 7.2-163.1-140.7 143.8 1.3 17.7 23.1 59 106 E I E -FH 28 46C 0 -31,-2.2 -31,-2.8 -2,-0.3 2,-0.5 -0.995 18.7-133.2-128.5 131.7 2.4 16.0 26.4 60 107 E R E -FH 27 45C 134 -15,-3.2 -15,-1.4 -2,-0.4 -33,-0.3 -0.708 32.9-117.8 -85.9 129.3 5.5 13.9 26.9 61 108 E H E - H 0 44C 10 -35,-1.8 -17,-0.2 -2,-0.5 -35,-0.1 -0.489 11.7-154.5 -68.1 134.9 4.7 10.7 28.8 62 109 E S S S+ 0 0 98 -19,-2.6 -1,-0.2 1,-0.3 -18,-0.1 0.807 96.5 41.1 -68.9 -33.4 6.3 10.1 32.2 63 110 E N > - 0 0 91 -20,-0.6 3,-2.2 1,-0.1 -1,-0.3 -0.909 69.6-168.5-122.6 98.2 5.8 6.4 31.5 64 111 E P G > S+ 0 0 89 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.708 85.3 69.2 -57.6 -23.9 6.6 5.4 27.9 65 112 E A G 3 S+ 0 0 91 1,-0.3 -2,-0.0 -39,-0.0 0, 0.0 0.682 91.4 62.8 -68.7 -18.5 5.0 2.0 28.6 66 113 E A G < + 0 0 22 -3,-2.2 2,-2.1 1,-0.1 -1,-0.3 0.465 69.9 107.2 -82.1 -8.1 1.6 3.8 28.8 67 114 E A < - 0 0 19 -3,-1.6 2,-0.6 -4,-0.1 -65,-0.1 -0.539 51.9-177.1 -77.9 80.2 1.7 5.0 25.2 68 115 E D - 0 0 36 -2,-2.1 2,-1.6 -67,-1.2 -49,-0.4 -0.711 22.7-145.2 -80.1 111.8 -1.0 2.7 23.9 69 116 E G + 0 0 12 -2,-0.6 12,-2.3 -67,-0.1 2,-0.3 -0.219 69.5 81.8 -77.1 48.8 -1.4 3.1 20.1 70 117 E R E S- B 0 80A 88 -2,-1.6 -67,-3.2 10,-0.2 2,-0.4 -0.841 75.7-116.6-141.5 174.0 -5.2 2.5 20.2 71 118 E V E -aB 3 79A 0 8,-2.7 8,-3.2 -2,-0.3 2,-0.4 -0.982 30.2-125.3-117.5 131.1 -8.5 4.2 20.9 72 119 E Y E - 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