==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-MAY-90 3SGA . 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) . 7066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 69.2 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 . 77 41.6 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 . 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 . 10 5.4 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 3 3 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 56 0, 0.0 67,-1.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 135.2 -3.7 4.8 28.4 2 17 E A > - 0 0 0 1,-0.2 3,-1.8 65,-0.1 14,-0.3 -0.481 360.0 -61.8-111.6 177.2 -5.4 5.0 25.0 3 18 E G B 3 S+a 71 0A 0 67,-3.5 69,-2.7 65,-0.3 14,-0.2 -0.251 118.8 26.4 -58.4 147.7 -7.2 7.5 22.8 4 19 E G T 3 S+ 0 0 0 12,-3.4 -1,-0.2 1,-0.3 97,-0.2 0.304 92.0 125.0 82.2 -5.5 -10.4 8.9 24.4 5 29 E E < - 0 0 46 -3,-1.8 11,-2.9 92,-0.1 -1,-0.3 -0.471 68.3 -86.9 -88.8 160.4 -9.4 8.3 28.0 6 30 E A E -C 15 0B 42 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.357 38.7-179.1 -67.0 139.5 -9.3 10.9 30.8 7 31 E I E -C 14 0B 1 7,-1.9 7,-2.4 -2,-0.1 2,-0.3 -0.953 15.6-168.4-132.7 138.6 -6.2 13.1 31.3 8 32 E T E -C 13 0B 56 -2,-0.3 34,-2.6 5,-0.2 2,-0.3 -0.928 25.3-169.9-135.8 161.7 -6.2 15.6 34.2 9 33 E T E > S-C 12 0B 15 3,-2.0 3,-2.9 -2,-0.3 32,-0.1 -0.923 73.2 -46.7-147.7 116.7 -4.4 18.6 35.7 10 34 E G T 3 S- 0 0 80 -2,-0.3 -1,-0.1 1,-0.3 32,-0.1 -0.281 127.0 -19.4 51.7-133.4 -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 0.301 116.9 102.3 -84.2 6.2 -9.4 19.8 38.9 12 40 E S E < -C 9 0B 45 -3,-2.9 -3,-2.0 22,-0.0 2,-0.4 -0.750 50.5-163.8 -96.3 141.4 -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 -0.957 16.7 156.7-126.6 138.9 -10.3 17.0 32.8 14 42 E a E -C 7 0B 7 -7,-2.4 -7,-1.9 -2,-0.4 2,-0.3 -0.703 38.8-107.2-136.5-175.4 -9.8 16.5 29.0 15 43 E S E -C 6 0B 0 122,-2.9 16,-0.4 -9,-0.2 2,-0.2 -0.920 30.6-109.3-121.8 150.1 -9.5 13.3 26.9 16 44 E L - 0 0 0 -11,-2.9 -12,-3.4 -2,-0.3 124,-0.6 -0.571 26.6-161.9 -77.1 140.5 -6.3 11.9 25.3 17 45 E G - 0 0 0 12,-2.9 2,-0.3 1,-0.3 123,-0.2 0.960 59.5 -28.0 -84.4 -74.9 -6.3 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 -0.986 54.5-120.8-146.8 144.9 -3.7 9.9 20.1 19 47 E N E +D 28 0C 4 49,-0.4 162,-2.0 -2,-0.3 2,-0.3 -0.722 45.5 174.2 -84.8 139.0 -0.4 8.4 21.4 20 48 E V E -DE 27 180C 0 7,-3.2 7,-2.9 -2,-0.3 2,-0.4 -0.886 28.1-123.4-141.7 172.3 2.4 9.4 19.1 21 48AE S E -DE 26 179C 20 158,-2.9 158,-2.0 -2,-0.3 2,-0.5 -0.962 10.9-169.2-123.1 138.1 6.1 9.3 18.6 22 48BE V E > S-D 25 0C 31 3,-2.5 3,-2.4 -2,-0.4 156,-0.2 -0.970 85.9 -28.6-124.0 104.9 8.5 12.2 18.1 23 48CE N T 3 S- 0 0 157 -2,-0.5 3,-0.1 154,-0.5 -1,-0.1 0.855 127.8 -46.9 53.9 46.5 11.9 10.8 17.1 24 48DE G T 3 S+ 0 0 69 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.260 113.1 123.5 79.3 -7.9 11.2 7.6 19.1 25 49 E V E < -D 22 0C 45 -3,-2.4 -3,-2.5 1,-0.0 2,-0.3 -0.819 63.0-122.5 -95.0 127.0 9.9 9.5 22.1 26 50 E A E +D 21 0C 15 -2,-0.5 35,-1.9 -5,-0.2 2,-0.3 -0.480 42.3 156.0 -70.7 124.6 6.4 8.8 23.4 27 51 E H E -DF 20 60C 16 -7,-2.9 -7,-3.2 -2,-0.3 2,-0.4 -0.837 31.6-131.6-139.1 172.9 4.0 11.7 23.6 28 52 E A E -DF 19 59C 2 31,-2.8 31,-2.1 -2,-0.3 2,-0.3 -1.000 12.4-140.7-133.8 133.2 0.2 12.2 23.5 29 53 E L E +DF 18 58C 0 -11,-2.9 -12,-2.9 -2,-0.4 -11,-0.8 -0.728 32.9 153.8 -89.1 147.4 -1.8 14.7 21.4 30 54 E T E - F 0 57C 0 27,-1.9 27,-1.7 -2,-0.3 2,-0.2 -0.757 50.1 -56.7-152.8-171.2 -4.7 16.5 23.1 31 55 E A >> - 0 0 0 -16,-0.4 4,-2.2 -2,-0.2 3,-0.6 -0.516 36.0-135.8 -81.9 148.9 -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 0.847 106.4 62.1 -65.4 -36.4 -4.7 23.1 22.8 33 57 E H H 34 S+ 0 0 55 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.783 108.9 45.2 -63.1 -24.9 -7.5 24.6 24.9 34 58 E a H X> S+ 0 0 0 -3,-0.6 3,-1.6 2,-0.1 4,-0.5 0.951 111.4 47.5 -82.1 -57.2 -6.6 21.8 27.4 35 59 E T H 3< S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.3 -2,-0.2 0.741 100.3 69.7 -58.9 -24.3 -2.7 22.1 27.3 36 62 E N T 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.799 89.6 66.0 -61.1 -29.5 -3.0 25.9 27.8 37 63 E I T <4 S- 0 0 87 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.903 115.6 -17.9 -56.2 -50.0 -4.2 25.3 31.3 38 64 E S < - 0 0 32 -4,-0.5 -1,-0.2 -3,-0.4 3,-0.0 -0.993 41.8-129.7-156.9 164.3 -1.0 23.8 32.7 39 65 E A S S+ 0 0 44 -2,-0.3 7,-2.9 -3,-0.1 2,-0.6 0.597 90.8 77.8 -89.9 -16.2 2.3 22.2 32.1 40 65AE S E +G 45 0C 85 5,-0.2 2,-0.3 -3,-0.0 5,-0.2 -0.876 57.4 171.0-107.8 118.3 1.6 19.3 34.5 41 66 E W E > -G 44 0C 13 3,-3.0 3,-1.0 -2,-0.6 -32,-0.2 -0.793 47.8-110.5-117.2 160.3 -0.6 16.4 33.5 42 84 E S T 3 S+ 0 0 76 -34,-2.6 -33,-0.1 -2,-0.3 3,-0.1 0.869 121.6 42.0 -53.9 -33.5 -1.5 13.1 35.1 43 85 E I T 3 S- 0 0 20 -35,-0.2 19,-2.4 1,-0.2 20,-0.6 0.500 125.6 -70.0 -94.6 -7.2 0.5 11.5 32.2 44 86 E G E < -GH 41 61C 3 -3,-1.0 -3,-3.0 17,-0.3 2,-0.4 -0.991 68.7 -30.4 155.9-159.4 3.5 13.8 32.0 45 87 E T E -GH 40 60C 84 15,-1.3 15,-3.0 -2,-0.3 -5,-0.2 -0.844 50.8-118.5-105.0 134.2 4.7 17.2 31.0 46 88 E R E + H 0 59C 76 -7,-2.9 13,-0.3 -2,-0.4 3,-0.1 -0.498 30.0 175.5 -64.6 134.6 3.3 19.5 28.3 47 89 E T E + 0 0 83 11,-2.5 2,-0.3 1,-0.3 12,-0.2 0.351 65.0 13.6-120.4 3.5 5.9 20.1 25.6 48 90 E G E + H 0 58C 13 10,-1.4 10,-2.6 -9,-0.0 -1,-0.3 -0.917 56.2 178.5-173.8 146.8 3.8 22.2 23.2 49 91 E T E - H 0 57C 52 -2,-0.3 8,-0.3 8,-0.3 2,-0.2 -0.979 5.4-178.7-155.8 144.1 0.4 24.0 22.9 50 93 E S E + H 0 56C 33 6,-2.4 6,-1.6 -2,-0.3 -18,-0.3 -0.771 19.2 173.7-146.8 101.6 -1.4 26.1 20.3 51 94 E F + 0 0 24 -2,-0.2 2,-0.2 -19,-0.2 4,-0.1 -0.922 49.0 19.6-161.1 138.3 -4.9 27.7 21.1 52 99AE P S S+ 0 0 56 0, 0.0 2,-2.2 0, 0.0 70,-0.2 0.483 121.3 35.2 -83.4-153.3 -6.8 29.5 19.7 53 100 E N B S+i 122 0D 87 68,-1.9 70,-2.5 -2,-0.2 2,-0.2 -0.568 135.5 26.4 84.3 -68.2 -6.4 29.8 15.9 54 101 E N S S- 0 0 17 -2,-2.2 70,-0.1 68,-0.2 71,-0.0 -0.478 77.5-145.5-102.9-179.2 -5.4 26.1 16.2 55 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 112,-0.2 -0.370 54.1 107.6-149.3 68.9 -6.6 23.7 18.9 56 103 E Y E + H 0 50C 22 -6,-1.6 -6,-2.4 -25,-0.3 2,-0.3 -0.959 30.5 168.9-145.6 156.6 -3.7 21.2 19.6 57 104 E G E -FH 30 49C 0 -27,-1.7 -27,-1.9 -2,-0.3 2,-0.3 -0.940 18.6-142.1-157.3 165.8 -1.2 20.5 22.3 58 105 E I E -FH 29 48C 3 -10,-2.6 -11,-2.5 -2,-0.3 -10,-1.4 -0.995 6.2-162.9-144.8 143.2 1.3 17.6 23.1 59 106 E I E -FH 28 46C 0 -31,-2.1 -31,-2.8 -2,-0.3 2,-0.5 -0.988 19.0-133.0-128.0 128.8 2.4 16.0 26.3 60 107 E R E -FH 27 45C 135 -15,-3.0 -15,-1.3 -2,-0.4 -33,-0.3 -0.756 33.4-116.6 -83.7 130.2 5.5 13.9 26.8 61 108 E H E - H 0 44C 10 -35,-1.9 -17,-0.3 -2,-0.5 -35,-0.1 -0.489 12.2-154.3 -70.4 138.4 4.7 10.7 28.7 62 109 E S S S+ 0 0 96 -19,-2.4 -1,-0.1 1,-0.3 -18,-0.1 0.778 96.8 41.3 -72.7 -31.6 6.3 10.2 32.1 63 110 E N > - 0 0 93 -20,-0.6 3,-2.3 1,-0.1 -1,-0.3 -0.898 69.4-168.9-122.5 97.2 5.8 6.4 31.5 64 111 E P G > S+ 0 0 88 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.725 85.7 69.3 -56.7 -23.5 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 0.717 91.6 63.1 -67.5 -20.5 5.0 2.0 28.6 66 113 E A G < + 0 0 21 -3,-2.3 2,-2.2 1,-0.1 -1,-0.3 0.490 69.4 107.0 -79.2 -11.1 1.7 3.9 28.8 67 114 E A < - 0 0 18 -3,-1.5 2,-0.6 -4,-0.2 -65,-0.1 -0.467 52.0-177.0 -74.4 79.4 1.7 5.1 25.1 68 115 E D - 0 0 36 -2,-2.2 2,-1.5 -67,-1.2 -49,-0.4 -0.712 22.5-145.2 -78.9 112.7 -1.0 2.7 23.8 69 116 E G + 0 0 13 -2,-0.6 12,-2.3 -67,-0.1 2,-0.3 -0.245 69.6 79.8 -77.6 47.8 -1.5 3.1 20.0 70 117 E R E S- B 0 80A 88 -2,-1.5 -67,-3.5 10,-0.2 2,-0.4 -0.842 75.5-117.1-140.6 176.1 -5.2 2.5 20.1 71 118 E V E -aB 3 79A 0 8,-2.7 8,-3.3 -2,-0.3 2,-0.4 -0.985 30.7-124.1-120.9 132.4 -8.5 4.2 20.9 72 119 E Y E - 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