==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-MAR-99 1SGY . COMPND 2 MOLECULE: STREPTOGRISIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.HUANG,W.LU,S.ANDERSON,M.LASKOWSKI JR.,M.N.G.JAMES . 236 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.4 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 . 88 37.3 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 . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 2 5 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,-0.2 0.000 360.0 360.0 360.0 143.2 -8.6 23.8 21.5 2 17 E S > - 0 0 9 74,-0.1 3,-1.9 76,-0.1 14,-0.3 -0.794 360.0 -51.1-138.1 179.8 -8.0 26.8 23.8 3 18 E G B 3 S+a 80 0A 0 76,-2.6 78,-0.7 1,-0.2 14,-0.2 -0.317 121.0 25.0 -56.3 131.8 -5.4 28.5 25.9 4 19 E G T 3 S+ 0 0 1 12,-3.2 -1,-0.2 1,-0.3 101,-0.2 0.256 89.4 128.3 101.2 -19.7 -3.7 26.0 28.4 5 29 E D < - 0 0 44 -3,-1.9 11,-2.5 1,-0.1 -1,-0.3 -0.406 65.8 -93.9 -71.5 154.8 -4.4 22.8 26.3 6 30 E A E -C 15 0B 22 9,-0.2 2,-0.3 96,-0.1 9,-0.3 -0.325 37.0-170.5 -68.1 151.6 -1.6 20.4 25.5 7 31 E I E -C 14 0B 0 7,-1.9 7,-2.8 -2,-0.0 2,-0.5 -0.987 7.9-151.8-137.9 138.8 0.3 20.6 22.3 8 32 E Y E +CD 13 42B 43 34,-2.8 34,-3.2 -2,-0.3 5,-0.2 -0.956 12.9 179.6-123.2 134.1 2.8 18.0 21.1 9 33 E S - 0 0 2 3,-2.6 32,-0.1 -2,-0.5 29,-0.1 -0.425 52.7 -83.7-112.6-167.9 5.8 18.5 18.9 10 34 E S S S+ 0 0 91 30,-0.4 3,-0.1 1,-0.2 31,-0.1 0.778 127.1 36.9 -69.8 -25.7 8.2 15.9 17.7 11 39 E T S S- 0 0 69 1,-0.2 2,-0.3 191,-0.0 -1,-0.2 0.729 121.9 -40.6 -99.0 -35.3 10.2 16.2 20.9 12 40 E G - 0 0 10 22,-0.1 -3,-2.6 190,-0.1 2,-0.4 -0.898 63.4 -67.2-169.1-158.6 7.8 16.8 23.8 13 41 E R E +CE 8 201B 34 188,-1.7 188,-2.3 -2,-0.3 -5,-0.2 -0.947 40.8 160.5-123.5 134.4 4.7 18.5 25.2 14 42 E a E -C 7 0B 4 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.3 -0.527 36.1-100.0-127.4-163.5 4.0 22.1 25.8 15 43 E S E -C 6 0B 0 126,-2.2 16,-0.4 -9,-0.3 2,-0.3 -0.944 28.6-110.8-127.6 146.5 0.8 24.2 26.3 16 44 E L - 0 0 0 -11,-2.5 -12,-3.2 -2,-0.3 14,-0.2 -0.570 27.5-165.6 -73.3 131.7 -1.0 26.4 23.9 17 45 E G - 0 0 0 12,-2.9 2,-0.3 -2,-0.3 13,-0.2 0.935 58.3 -24.0 -82.5 -82.2 -0.7 30.0 24.9 18 46 E F E -F 29 0B 4 11,-0.7 11,-2.4 -15,-0.1 2,-0.3 -0.999 53.3-123.1-137.0 145.0 -3.3 32.0 23.0 19 47 E N E +F 28 0B 4 58,-0.4 166,-0.6 -2,-0.3 2,-0.3 -0.629 45.0 169.6 -80.2 131.0 -5.3 31.6 19.7 20 48 E V E -FG 27 184B 0 7,-2.7 7,-2.7 -2,-0.3 2,-0.3 -0.896 14.5-160.1-138.7 166.7 -4.5 34.7 17.6 21 48AE R E -FG 26 183B 91 162,-2.3 162,-2.1 -2,-0.3 2,-0.4 -0.998 18.3-156.8-152.6 164.7 -5.1 35.8 14.1 22 48BE S E > S-F 25 0B 54 3,-2.7 3,-2.8 -2,-0.3 2,-0.2 -0.974 76.6 -43.5-140.2 119.3 -4.2 38.1 11.3 23 48CE G T 3 S- 0 0 69 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.394 126.7 -23.2 60.2-121.8 -6.8 38.7 8.7 24 48DE S T 3 S+ 0 0 109 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.187 116.1 108.7-100.5 11.5 -8.2 35.3 8.0 25 49 E T E < -F 22 0B 50 -3,-2.8 -3,-2.7 43,-0.0 2,-0.4 -0.866 54.5-156.3-103.4 120.5 -5.1 33.5 9.2 26 50 E Y E +F 21 0B 81 -2,-0.6 43,-2.3 -5,-0.2 2,-0.3 -0.735 21.1 159.1 -95.6 134.1 -5.2 31.7 12.5 27 51 E Y E -FH 20 68B 49 -7,-2.7 -7,-2.7 -2,-0.4 2,-0.4 -0.896 26.1-136.8-137.8 173.2 -2.2 31.0 14.6 28 52 E F E -FH 19 67B 0 39,-2.0 39,-2.2 -2,-0.3 2,-0.3 -0.990 13.3-135.8-135.5 150.7 -1.4 30.1 18.1 29 53 E L E +FH 18 66B 0 -11,-2.4 -12,-2.9 -2,-0.4 -11,-0.7 -0.772 31.6 151.8 -99.7 149.6 1.2 31.4 20.4 30 54 E T E - H 0 65B 0 35,-2.0 35,-1.8 -2,-0.3 112,-0.2 -0.857 52.2 -53.4-152.3-171.1 3.4 29.3 22.6 31 55 E A > - 0 0 0 -16,-0.4 4,-2.0 -2,-0.3 3,-0.5 -0.434 38.2-135.9 -72.0 147.2 6.8 29.5 24.1 32 56 E G H > S+ 0 0 0 26,-0.3 4,-1.8 1,-0.2 27,-0.2 0.885 107.0 60.2 -68.2 -34.7 9.8 30.0 21.8 33 57 E H H 4 S+ 0 0 26 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.777 108.1 47.7 -67.1 -15.6 11.8 27.3 23.6 34 58 E a H 4 S+ 0 0 7 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.898 113.7 43.8 -86.5 -42.8 8.9 25.0 22.5 35 59 E T H >< S+ 0 0 2 -4,-2.0 3,-1.8 2,-0.1 -2,-0.2 0.628 85.8 112.9 -76.2 -17.6 8.9 26.1 18.9 36 60 E D T 3< S- 0 0 104 -4,-1.8 3,-0.1 1,-0.3 29,-0.0 -0.358 99.0 -8.9 -59.9 117.1 12.7 26.0 18.6 37 62 E G T 3 S+ 0 0 74 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.540 106.7 120.1 73.5 1.5 13.5 23.2 16.2 38 63 E A < + 0 0 8 -3,-1.8 -1,-0.2 1,-0.2 16,-0.1 -0.756 32.3 174.7 -95.8 144.7 9.9 21.9 16.1 39 64 E T + 0 0 100 1,-0.4 15,-2.4 -2,-0.3 2,-0.3 0.754 61.5 35.3-109.9 -59.6 8.1 21.9 12.8 40 65 E T E - I 0 53B 37 13,-0.2 -30,-0.4 27,-0.0 -1,-0.4 -0.744 63.0-159.0-103.6 145.2 4.8 20.2 13.2 41 66 E W E - I 0 52B 0 11,-2.2 10,-3.1 -2,-0.3 11,-1.4 -0.990 6.5-165.9-122.8 136.8 2.5 20.3 16.1 42 67 E W E -DI 8 50B 46 -34,-3.2 -34,-2.8 -2,-0.4 8,-0.2 -0.874 24.4-134.4-122.4 161.3 -0.3 17.9 17.1 43 68 E A S S+ 0 0 26 6,-2.7 2,-0.3 -2,-0.3 7,-0.1 0.609 86.1 42.9 -86.4 -17.6 -3.2 18.0 19.5 44 78 E N S > S- 0 0 44 5,-0.5 3,-2.2 -36,-0.1 -36,-0.1 -0.923 81.0-116.1-134.7 158.1 -2.7 14.5 20.9 45 79 E S T 3 S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.772 114.4 62.2 -62.2 -21.3 0.1 12.3 22.2 46 80 E A T 3 S- 0 0 63 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.538 105.0-131.3 -78.9 -6.8 -0.7 9.9 19.4 47 81 E R S < S+ 0 0 86 -3,-2.2 -2,-0.1 2,-0.1 3,-0.1 0.904 71.2 123.3 58.0 42.6 0.2 12.6 16.9 48 82 E T + 0 0 99 1,-0.2 2,-0.7 -4,-0.1 -1,-0.1 0.818 56.0 59.8-102.6 -32.2 -2.9 11.8 15.1 49 83 E T S S- 0 0 55 -5,-0.1 -6,-2.7 22,-0.0 -5,-0.5 -0.871 77.3-148.7-100.5 111.6 -4.6 15.2 15.1 50 84 E V E +I 42 0B 54 -2,-0.7 -8,-0.3 -8,-0.2 3,-0.1 -0.524 19.7 178.0 -76.8 146.3 -2.5 17.8 13.3 51 85 E L E - 0 0 0 -10,-3.1 19,-2.7 1,-0.4 20,-1.7 0.740 50.5 -82.8-111.0 -54.1 -2.7 21.4 14.5 52 86 E G E -IJ 41 69B 0 -11,-1.4 -11,-2.2 17,-0.3 -1,-0.4 -0.969 41.4 -74.3 175.0-161.7 -0.2 23.2 12.3 53 87 E T E -IJ 40 68B 41 15,-1.5 15,-2.8 -2,-0.3 -13,-0.2 -0.964 46.8 -93.8-132.2 145.7 3.4 24.1 11.7 54 88 E T E + J 0 67B 32 -15,-2.4 13,-0.3 -2,-0.3 3,-0.1 -0.253 35.4 174.5 -55.0 133.2 5.8 26.6 13.3 55 89 E S E + 0 0 56 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.542 66.9 10.4-116.6 -13.5 5.9 30.0 11.5 56 90 E G E - J 0 66B 14 10,-1.6 10,-1.8 2,-0.0 -1,-0.4 -0.978 54.5-176.0-166.5 154.7 8.2 31.7 13.9 57 91 E S E - J 0 65B 52 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.932 3.2-177.8-159.1 126.1 10.4 31.2 16.9 58 93 E S E + J 0 64B 27 6,-2.7 6,-1.8 -2,-0.3 -26,-0.3 -0.863 23.9 161.3-132.1 101.7 12.3 33.6 19.1 59 94 E F + 0 0 29 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.893 45.7 29.5-166.8 136.4 14.4 32.0 21.9 60 99AE P S S+ 0 0 34 0, 0.0 2,-2.1 0, 0.0 66,-0.2 0.424 121.8 31.2 -82.0-159.4 16.7 32.7 23.7 61 100 E N B S+k 126 0C 90 64,-2.8 66,-2.7 -2,-0.2 2,-0.2 -0.377 134.4 25.3 83.1 -63.4 16.6 36.5 24.4 62 101 E N S S- 0 0 44 -2,-2.1 66,-0.1 64,-0.2 67,-0.0 -0.641 78.2-141.7-110.3-176.2 12.9 36.5 24.1 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.449 55.7 106.0-149.0 65.0 10.6 33.4 24.7 64 103 E Y E + J 0 58B 19 -6,-1.8 -6,-2.7 -33,-0.3 2,-0.3 -0.981 32.9 173.3-138.6 153.9 7.8 33.4 22.2 65 104 E G E -HJ 30 57B 0 -35,-1.8 -35,-2.0 -2,-0.3 2,-0.4 -0.954 16.0-145.9-149.2 164.9 6.9 31.3 19.0 66 105 E I E -HJ 29 56B 4 -10,-1.8 -11,-2.6 -2,-0.3 -10,-1.6 -0.985 5.0-159.8-141.1 142.6 3.9 31.1 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.2 -39,-2.0 -2,-0.4 2,-0.5 -0.991 17.3-132.5-124.8 134.9 2.4 28.2 14.8 68 107 E R E -HJ 27 53B 96 -15,-2.8 -15,-1.5 -2,-0.4 -41,-0.2 -0.675 25.6-118.9 -92.1 131.7 0.2 28.5 11.9 69 108 E Y E + J 0 52B 20 -43,-2.3 -17,-0.3 -2,-0.5 -43,-0.2 -0.484 37.5 165.7 -70.3 133.5 -2.9 26.4 11.9 70 109 E T + 0 0 70 -19,-2.7 2,-0.6 -2,-0.1 -18,-0.2 0.228 52.4 97.7-124.1 -2.6 -3.3 23.9 9.1 71 110 E N - 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