==== 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 06-JAN-00 1DS2 . COMPND 2 MOLECULE: PROTEINASE B (SGPB); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.S.BATEMAN,K.HUANG,S.ANDERSON,W.LU,M.A.QASIM,M.LASKOWSKI JR . 235 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 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 . 3 4 4 2 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 . 0 2 0 0 0 0 0 1 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 26 0, 0.0 76,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.3 -8.6 23.8 21.3 2 17 E S > - 0 0 8 74,-0.1 3,-2.0 76,-0.1 14,-0.3 -0.882 360.0 -50.8-145.2 176.6 -7.8 26.8 23.6 3 18 E G B 3 S+a 80 0A 0 76,-2.7 78,-0.8 74,-0.4 14,-0.2 -0.258 120.7 24.5 -54.6 131.7 -5.2 28.5 25.7 4 19 E G T 3 S+ 0 0 1 12,-3.2 -1,-0.2 1,-0.3 101,-0.2 0.134 90.3 128.9 99.6 -19.8 -3.6 26.0 28.2 5 29 E D < - 0 0 46 -3,-2.0 11,-2.8 1,-0.1 -1,-0.3 -0.296 66.1 -94.0 -67.6 154.7 -4.3 22.9 26.2 6 30 E A E -C 15 0B 24 9,-0.2 2,-0.4 96,-0.2 9,-0.2 -0.384 38.6-171.3 -70.8 145.3 -1.6 20.4 25.5 7 31 E I E -C 14 0B 0 7,-2.4 7,-2.8 -2,-0.1 2,-0.5 -0.996 7.5-151.2-136.5 139.9 0.4 20.5 22.2 8 32 E Y E +CD 13 42B 44 34,-2.9 34,-3.0 -2,-0.4 5,-0.2 -0.941 13.2 178.6-119.9 136.4 2.9 18.0 21.0 9 33 E S - 0 0 1 3,-2.3 32,-0.1 -2,-0.5 29,-0.1 -0.442 53.3 -89.6-112.2-170.4 5.9 18.4 18.7 10 34 E S S S+ 0 0 86 30,-0.3 3,-0.1 -2,-0.2 31,-0.1 0.765 126.8 45.3 -74.2 -23.4 8.3 15.6 17.6 11 39 E T S S- 0 0 62 1,-0.2 2,-0.2 23,-0.2 -1,-0.2 0.850 121.1 -56.1 -88.7 -43.2 10.3 16.4 20.7 12 40 E G - 0 0 11 22,-0.1 -3,-2.3 190,-0.1 2,-0.4 -0.875 61.6 -57.2-171.9-154.5 7.8 16.7 23.6 13 41 E R E +CE 8 201B 34 188,-1.7 188,-2.4 -2,-0.2 -5,-0.2 -0.943 42.8 158.7-120.9 138.0 4.8 18.4 25.1 14 42 E a E -C 7 0B 5 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.636 37.2-100.1-133.3-167.9 4.1 22.1 25.7 15 43 E S E -C 6 0B 0 126,-2.8 16,-0.4 -9,-0.2 2,-0.3 -0.934 28.9-111.4-123.4 149.1 0.9 24.1 26.2 16 44 E L - 0 0 0 -11,-2.8 -12,-3.2 -2,-0.4 14,-0.2 -0.576 27.3-163.5 -74.6 134.6 -0.9 26.4 23.7 17 45 E G - 0 0 0 12,-3.0 2,-0.3 1,-0.3 13,-0.2 0.927 58.6 -26.3 -82.2 -79.6 -0.6 30.1 24.8 18 46 E F E -F 29 0B 4 11,-0.6 11,-2.6 -15,-0.1 2,-0.4 -0.992 54.0-120.5-138.8 149.7 -3.3 32.0 22.9 19 47 E N E +F 28 0B 4 58,-0.3 166,-0.6 -2,-0.3 2,-0.3 -0.733 44.4 172.5 -86.2 129.6 -5.1 31.6 19.7 20 48 E V E -FG 27 184B 0 7,-2.4 7,-2.7 -2,-0.4 2,-0.3 -0.858 14.1-157.7-134.4 169.2 -4.4 34.7 17.5 21 48AE R E -FG 26 183B 85 162,-2.1 162,-1.7 -2,-0.3 2,-0.4 -0.986 17.1-158.4-150.3 160.8 -5.1 35.8 14.0 22 48BE S E > S-F 25 0B 51 3,-2.5 3,-2.5 -2,-0.3 2,-0.4 -0.943 78.0 -45.6-140.6 109.1 -4.1 38.1 11.2 23 48CE G T 3 S- 0 0 71 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.488 124.9 -25.0 66.1-118.9 -6.8 38.8 8.7 24 48DE S T 3 S+ 0 0 109 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.214 115.7 106.1-108.3 11.2 -8.3 35.4 8.0 25 49 E T E < -F 22 0B 54 -3,-2.5 -3,-2.5 43,-0.0 2,-0.4 -0.843 57.0-154.3 -97.7 126.0 -5.1 33.5 9.0 26 50 E Y E +F 21 0B 79 -2,-0.5 43,-2.2 -5,-0.2 2,-0.3 -0.799 22.0 156.3-103.1 139.5 -5.1 31.7 12.3 27 51 E Y E -FH 20 68B 48 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.3 -0.850 28.0-133.4-140.7-179.8 -2.1 30.9 14.4 28 52 E F E -FH 19 67B 0 39,-1.7 39,-2.2 -2,-0.3 2,-0.3 -0.990 15.0-134.1-142.1 144.7 -1.3 30.1 18.1 29 53 E L E +FH 18 66B 0 -11,-2.6 -12,-3.0 -2,-0.3 -11,-0.6 -0.738 32.9 151.2 -95.8 151.2 1.4 31.4 20.3 30 54 E T E - H 0 65B 0 35,-2.1 35,-2.0 -2,-0.3 112,-0.2 -0.859 50.8 -50.9-157.7-173.5 3.5 29.4 22.5 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.6 -2,-0.3 3,-0.7 -0.453 37.8-136.0 -72.2 146.7 7.0 29.4 24.0 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-2.2 1,-0.2 27,-0.2 0.848 105.8 60.4 -67.6 -36.6 10.0 30.0 21.8 33 57 E H H 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.757 107.7 47.0 -67.1 -15.6 11.9 27.2 23.5 34 58 E a H <4 S+ 0 0 5 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.837 113.9 45.1 -88.8 -37.3 9.1 24.9 22.4 35 59 E T H >< S+ 0 0 2 -4,-1.6 3,-2.3 2,-0.1 2,-0.3 0.729 86.3 108.3 -78.4 -21.8 9.0 26.1 18.8 36 60 E D T 3< S- 0 0 102 -4,-2.2 3,-0.1 1,-0.3 29,-0.0 -0.378 99.6 -4.5 -59.8 115.3 12.8 26.0 18.5 37 62 E G T 3 S+ 0 0 67 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.606 107.6 118.4 75.8 11.1 13.6 23.1 16.2 38 63 E A < + 0 0 7 -3,-2.3 -1,-0.3 1,-0.2 3,-0.1 -0.868 31.5 170.5-108.2 143.7 10.0 21.9 15.9 39 64 E T + 0 0 97 -2,-0.4 15,-2.5 1,-0.4 2,-0.3 0.740 61.5 38.7-113.9 -61.1 8.2 21.8 12.6 40 65 E T E - I 0 53B 38 13,-0.2 2,-0.4 27,-0.0 -1,-0.4 -0.725 63.7-157.5-100.0 146.5 4.9 20.1 13.0 41 66 E W E - I 0 52B 0 11,-2.4 10,-3.3 -2,-0.3 11,-1.1 -0.974 6.4-166.5-124.2 136.1 2.5 20.3 15.9 42 67 E W E -DI 8 50B 52 -34,-3.0 -34,-2.9 -2,-0.4 8,-0.2 -0.875 24.4-138.6-120.5 156.1 -0.2 17.8 17.0 43 68 E A S S+ 0 0 28 6,-3.0 2,-0.3 -2,-0.3 7,-0.1 0.555 86.1 42.4 -86.2 -12.0 -3.2 18.0 19.4 44 78 E N S > S- 0 0 41 5,-0.5 3,-1.6 -36,-0.1 5,-0.1 -0.944 80.0-117.9-138.4 158.2 -2.6 14.5 20.8 45 79 E S T 3 S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.771 114.7 60.9 -62.0 -27.1 0.2 12.2 22.0 46 80 E A T 3 S- 0 0 64 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.618 103.5-134.2 -74.7 -15.5 -0.8 9.8 19.3 47 81 E R < + 0 0 88 -3,-1.6 -2,-0.1 2,-0.1 3,-0.1 0.899 69.7 121.7 62.9 41.9 -0.0 12.4 16.7 48 82 E T + 0 0 103 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.578 60.1 62.6-108.6 -14.4 -3.2 11.7 14.8 49 83 E T S S- 0 0 53 -5,-0.1 -6,-3.0 22,-0.0 -5,-0.5 -0.935 76.4-153.7-115.8 107.3 -4.7 15.2 15.0 50 84 E V E -I 42 0B 58 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.576 16.4-179.4 -80.5 144.2 -2.5 17.8 13.3 51 85 E L E - 0 0 0 -10,-3.3 19,-2.6 1,-0.4 20,-2.4 0.824 48.7 -85.4-104.5 -58.2 -2.6 21.4 14.4 52 86 E G E -IJ 41 69B 0 -11,-1.1 -11,-2.4 17,-0.3 -1,-0.4 -0.956 43.4 -69.4 175.6-161.0 -0.2 23.2 12.1 53 87 E T E -IJ 40 68B 43 15,-1.8 15,-3.0 -2,-0.3 -13,-0.2 -0.941 46.6 -94.0-127.4 147.2 3.4 24.2 11.5 54 88 E T E + J 0 67B 36 -15,-2.5 13,-0.3 -2,-0.4 3,-0.1 -0.318 36.5 175.1 -57.0 126.1 5.9 26.5 13.1 55 89 E S E + 0 0 62 11,-2.7 2,-0.3 1,-0.4 12,-0.2 0.524 66.4 4.6-107.9 -17.2 5.9 30.0 11.4 56 90 E G E - J 0 66B 16 10,-1.6 10,-2.3 2,-0.0 -1,-0.4 -0.960 55.9-170.6-166.8 151.7 8.3 31.7 13.8 57 91 E S E - J 0 65B 51 -2,-0.3 2,-0.4 8,-0.3 8,-0.2 -0.949 2.9-176.1-153.9 128.1 10.5 31.2 16.8 58 93 E S E + J 0 64B 28 6,-3.1 6,-2.0 -2,-0.3 -26,-0.3 -0.855 23.6 162.2-131.2 99.5 12.4 33.5 19.0 59 94 E F + 0 0 31 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.878 45.2 25.9-169.1 137.8 14.5 32.0 21.8 60 99AE P S S+ 0 0 34 0, 0.0 2,-2.4 0, 0.0 66,-0.2 0.468 121.3 32.0 -79.3-152.6 16.7 32.7 23.6 61 100 E N B S+k 126 0C 96 64,-2.7 66,-2.7 -2,-0.2 2,-0.2 -0.396 134.7 25.8 78.1 -58.5 16.8 36.4 24.3 62 101 E N S S- 0 0 43 -2,-2.4 66,-0.1 64,-0.2 67,-0.0 -0.572 79.4-140.7-112.7-175.1 13.1 36.4 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.476 54.1 103.8-150.6 71.3 10.8 33.4 24.5 64 103 E Y E + J 0 58B 23 -6,-2.0 -6,-3.1 -33,-0.3 2,-0.3 -0.985 32.8 176.6-147.7 156.6 8.0 33.2 22.0 65 104 E G E -HJ 30 57B 0 -35,-2.0 -35,-2.1 -2,-0.3 2,-0.4 -0.966 15.4-143.6-154.3 160.5 7.0 31.3 18.9 66 105 E I E -HJ 29 56B 3 -10,-2.3 -11,-2.7 -2,-0.3 -10,-1.6 -0.983 5.7-159.5-136.7 143.2 4.1 31.1 16.6 67 106 E V E -HJ 28 54B 0 -39,-2.2 -39,-1.7 -2,-0.4 2,-0.5 -0.989 16.4-134.4-126.0 129.3 2.4 28.2 14.8 68 107 E R E -HJ 27 53B 100 -15,-3.0 -15,-1.8 -2,-0.4 -41,-0.2 -0.703 24.9-121.8 -86.7 128.8 0.2 28.5 11.7 69 108 E Y E + J 0 52B 20 -43,-2.2 -17,-0.3 -2,-0.5 -43,-0.2 -0.495 37.0 165.9 -69.0 131.3 -2.9 26.4 11.8 70 109 E T + 0 0 63 -19,-2.6 2,-0.7 -2,-0.2 -18,-0.2 0.504 54.0 94.5-116.9 -17.6 -3.2 23.9 8.9 71 110 E N - 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