==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-SEP-05 2C0Z . COMPND 2 MOLECULE: NOVW; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SPHAEROIDES; . AUTHOR P.JAKIMOWICZ,M.TELLO,C.L.FREEL-MEYERS,C.T.WALSH,M.J.BUTTNER, . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 0 1 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 3 1 1 2 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 1 0 1 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 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 -8 A S 0 0 155 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.3 80.3 49.4 13.8 2 -7 A G - 0 0 59 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.115 360.0 -35.2 63.6 174.7 77.7 47.3 15.8 3 -6 A L - 0 0 141 1,-0.0 0, 0.0 -2,-0.0 0, 0.0 -0.522 65.0-154.5 -63.7 127.8 74.2 47.1 14.2 4 -5 A V - 0 0 88 -2,-0.3 -2,-0.1 25,-0.0 25,-0.1 -0.924 15.6-133.3-110.8 116.3 73.4 50.5 12.5 5 -4 A P - 0 0 23 0, 0.0 2,-0.1 0, 0.0 24,-0.1 -0.256 25.9 -87.6 -76.7 159.1 69.7 51.1 12.3 6 -3 A R - 0 0 195 1,-0.1 2,-0.2 22,-0.1 21,-0.0 -0.322 36.4-123.0 -60.7 132.4 67.7 52.3 9.3 7 -2 A G + 0 0 51 -2,-0.1 2,-0.3 19,-0.1 21,-0.2 -0.510 43.0 172.2 -73.2 144.8 67.4 56.1 8.7 8 -1 A S B -A 27 0A 29 19,-2.4 19,-1.7 -2,-0.2 2,-0.3 -0.999 37.2-129.1-156.6 153.8 63.7 57.2 8.5 9 0 A H - 0 0 158 -2,-0.3 2,-0.1 17,-0.2 17,-0.1 -0.734 50.7 -93.1 -92.5 154.4 61.2 59.9 8.3 10 1 A M + 0 0 11 -2,-0.3 2,-0.3 13,-0.1 16,-0.1 -0.430 48.0 177.4 -69.8 142.8 58.3 59.9 10.9 11 2 A R E -C 24 0B 134 13,-1.7 13,-2.4 -2,-0.1 2,-0.4 -0.983 18.5-159.2-138.7 148.0 55.1 58.1 9.8 12 3 A L E +C 23 0B 20 -2,-0.3 11,-0.2 11,-0.2 -2,-0.0 -0.983 20.3 172.3-127.6 118.8 51.8 57.4 11.6 13 4 A R E -C 22 0B 144 9,-2.6 9,-3.0 -2,-0.4 2,-0.1 -0.985 32.0-112.0-129.0 142.0 49.7 54.7 10.3 14 5 A P E -C 21 0B 77 0, 0.0 7,-0.3 0, 0.0 2,-0.1 -0.395 24.6-147.2 -69.0 141.2 46.5 53.0 11.6 15 6 A L - 0 0 27 5,-2.4 5,-0.2 2,-0.4 4,-0.1 -0.206 42.9 -83.2 -86.6-170.6 46.6 49.4 12.8 16 7 A G S S+ 0 0 56 -2,-0.1 2,-0.5 2,-0.1 5,-0.1 0.573 110.9 74.3 -78.8 -8.9 43.6 47.1 12.3 17 8 A I S > S- 0 0 5 3,-0.1 3,-1.9 85,-0.0 -2,-0.4 -0.930 92.3-113.5-106.2 123.5 41.8 48.4 15.5 18 9 A E T 3 S+ 0 0 106 -2,-0.5 105,-0.1 1,-0.3 3,-0.1 -0.343 103.5 28.4 -58.9 131.0 40.2 51.8 15.2 19 10 A G T 3 S+ 0 0 18 1,-0.3 104,-1.1 -4,-0.1 2,-0.4 0.405 98.5 104.9 95.3 0.3 42.0 54.2 17.6 20 11 A V E < + D 0 122B 1 -3,-1.9 -5,-2.4 102,-0.2 2,-0.3 -0.956 45.2 178.7-119.2 129.9 45.3 52.4 17.4 21 12 A W E -CD 14 121B 52 100,-2.2 100,-2.6 -2,-0.4 2,-0.5 -0.957 23.3-139.4-130.3 149.5 48.3 53.7 15.4 22 13 A E E -CD 13 120B 39 -9,-3.0 -9,-2.6 -2,-0.3 2,-0.5 -0.934 19.8-154.8-106.3 127.8 51.9 52.7 14.7 23 14 A I E -CD 12 119B 1 96,-3.2 96,-2.2 -2,-0.5 -11,-0.2 -0.928 4.8-158.6-107.0 124.2 54.4 55.5 14.7 24 15 A T E -C 11 0B 14 -13,-2.4 -13,-1.7 -2,-0.5 94,-0.1 -0.873 28.0-128.2 -91.6 128.7 57.7 55.1 12.8 25 16 A P - 0 0 1 0, 0.0 2,-0.7 0, 0.0 13,-0.2 -0.284 14.4-110.3 -74.6 163.4 60.2 57.6 14.3 26 17 A E E + B 0 37A 90 11,-2.1 11,-2.4 -16,-0.1 2,-0.4 -0.888 56.1 176.9 -84.4 115.2 62.3 60.2 12.5 27 18 A Q E +AB 8 36A 10 -19,-1.7 -19,-2.4 -2,-0.7 2,-0.3 -0.978 21.4 174.1-133.5 138.8 65.7 58.5 12.9 28 19 A R E - B 0 35A 152 7,-2.3 7,-2.7 -2,-0.4 2,-0.3 -0.972 10.9-159.1-135.0 153.3 69.3 59.1 11.9 29 20 A A E + B 0 34A 40 -2,-0.3 5,-0.2 5,-0.2 -22,-0.1 -0.972 14.2 165.2-130.6 146.7 72.5 57.4 12.7 30 21 A D E > - B 0 33A 71 3,-2.8 3,-1.4 -2,-0.3 -2,-0.0 -0.884 57.1 -80.7-143.8 177.0 76.2 58.5 12.5 31 22 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.777 127.5 52.1 -58.9 -21.8 79.5 57.1 14.0 32 23 A R T 3 S- 0 0 209 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.722 121.7 -78.0 -83.7 -18.0 78.8 58.8 17.4 33 24 A G E < -B 30 0A 33 -3,-1.4 -3,-2.8 2,-0.0 2,-0.4 -0.994 51.5 -55.6 158.7-156.8 75.3 57.3 17.8 34 25 A V E -B 29 0A 65 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.978 33.8-169.3-131.5 139.6 71.7 57.4 16.9 35 26 A F E +B 28 0A 116 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.3 -0.999 13.1 169.5-133.0 132.6 69.1 60.2 17.2 36 27 A L E -B 27 0A 39 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.996 33.9-140.7-145.1 153.3 65.4 60.0 16.8 37 28 A D E +B 26 0A 54 -11,-2.4 -11,-2.1 -2,-0.3 3,-0.1 -0.947 24.2 172.1-102.0 115.5 62.1 61.9 17.2 38 29 A W + 0 0 67 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.505 68.5 29.9-107.0 -7.0 59.6 59.4 18.5 39 30 A Y + 0 0 62 -13,-0.1 2,-0.4 -29,-0.0 -1,-0.3 -0.954 60.2 175.9-145.9 134.4 56.7 61.8 19.3 40 31 A H > - 0 0 76 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.962 23.3-146.4-140.2 119.8 56.0 65.1 17.5 41 32 A V H > S+ 0 0 61 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.838 96.5 49.1 -59.6 -37.6 52.9 67.1 18.4 42 33 A D H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.950 115.6 43.5 -69.9 -43.8 52.1 68.5 14.9 43 34 A R H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.925 119.7 43.5 -62.2 -47.9 52.4 65.1 13.2 44 35 A F H X>S+ 0 0 3 -4,-2.8 4,-3.1 2,-0.2 5,-0.5 0.934 111.7 49.9 -64.7 -49.1 50.4 63.4 16.0 45 36 A A H X5S+ 0 0 25 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.867 110.7 51.8 -64.2 -34.0 47.6 65.9 16.5 46 37 A E H <5S+ 0 0 86 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.944 117.3 37.7 -66.7 -43.1 47.0 65.9 12.7 47 38 A A H <5S+ 0 0 35 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.940 128.5 30.1 -74.0 -48.5 46.7 62.1 12.5 48 39 A I H <5S- 0 0 42 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.797 107.0-116.5 -87.3 -31.2 44.9 61.3 15.7 49 40 A G S < -E 136 0B 74 -2,-0.4 3,-2.2 73,-0.2 69,-0.4 -0.467 49.8 -75.3 -80.3 158.2 62.8 39.6 31.9 64 55 A R T 3 S+ 0 0 79 71,-3.1 69,-0.2 1,-0.3 -1,-0.1 -0.178 117.9 20.9 -54.2 133.1 62.5 37.3 28.9 65 56 A G T 3 S+ 0 0 6 67,-2.2 107,-2.4 1,-0.3 -1,-0.3 0.212 83.3 136.7 93.4 -15.5 59.2 35.4 28.9 66 57 A V B < -h 172 0C 25 -3,-2.2 66,-1.4 105,-0.2 2,-0.5 -0.504 37.1-163.1 -60.7 125.7 57.4 37.7 31.2 67 58 A V E -I 131 0D 1 105,-2.0 2,-0.4 64,-0.2 107,-0.4 -0.994 10.3-176.0-111.2 124.1 53.8 38.2 29.8 68 59 A R E -I 130 0D 46 62,-2.5 62,-2.3 -2,-0.5 2,-0.3 -0.947 27.7 -17.7-121.2 139.3 52.1 41.3 31.3 69 60 A G E - 0 0 0 -2,-0.4 60,-0.2 60,-0.2 85,-0.1 -0.791 10.4-158.8 129.3-170.0 48.6 42.4 30.6 70 61 A I E + 0 0 0 58,-0.4 85,-2.3 86,-0.3 2,-0.3 0.352 58.1 163.1 -90.5 115.5 45.9 42.7 29.3 71 62 A H E +IJ 128 154D 45 57,-2.8 57,-2.1 83,-0.2 2,-0.3 -0.723 6.5 160.6-104.0 149.3 45.4 46.0 31.2 72 63 A F E - J 0 153D 8 81,-2.4 81,-3.0 -2,-0.3 2,-0.4 -0.959 31.8-120.2-154.9 168.1 43.0 48.8 30.6 73 64 A V E - J 0 152D 12 -2,-0.3 52,-0.5 53,-0.3 6,-0.3 -0.947 37.4-103.3-117.3 135.3 41.3 51.8 32.2 74 65 A D > - 0 0 45 77,-2.4 4,-2.8 -2,-0.4 118,-0.1 -0.181 42.1-105.6 -52.2 145.5 37.6 52.2 32.7 75 66 A V T 4 S+ 0 0 28 2,-0.2 119,-0.3 1,-0.1 123,-0.1 -0.984 92.7 67.6-120.5 118.8 35.8 54.6 30.3 76 67 A P T 4 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.600 119.1 15.5 -73.1 163.2 35.1 57.2 31.6 77 68 A P T 4 S- 0 0 94 0, 0.0 -2,-0.2 0, 0.0 47,-0.1 -0.991 97.4-178.1 -86.8 -12.4 37.5 58.6 32.2 78 69 A G < - 0 0 10 -4,-2.8 2,-0.3 73,-0.1 -4,-0.1 0.093 17.2-129.5 74.4 167.6 39.5 56.4 29.9 79 70 A Q - 0 0 27 -6,-0.3 2,-0.3 47,-0.1 47,-0.3 -0.967 8.3-153.5-151.7 136.6 43.2 56.5 29.3 80 71 A A - 0 0 1 -2,-0.3 64,-2.3 -27,-0.1 2,-0.3 -0.855 15.6-159.0-108.0 151.6 45.3 56.6 26.1 81 72 A K E -FG 122 143B 33 41,-2.2 41,-2.8 -2,-0.3 2,-0.5 -0.978 15.5-160.0-135.5 146.1 48.9 55.3 26.0 82 73 A Y E -FG 121 142B 1 60,-2.6 60,-2.5 -2,-0.3 2,-0.4 -0.975 26.8-173.0-128.8 110.7 51.9 55.9 23.7 83 74 A V E +FG 120 141B 0 37,-2.9 37,-2.3 -2,-0.5 2,-0.3 -0.874 14.3 164.6-119.8 138.8 54.3 53.1 24.1 84 75 A T E -FG 119 140B 6 56,-2.5 56,-2.9 -2,-0.4 2,-0.6 -0.975 34.2-122.4-145.1 157.1 57.8 52.3 22.8 85 76 A C E + G 0 139B 1 33,-0.7 54,-0.2 -2,-0.3 3,-0.1 -0.918 24.0 178.5-103.0 117.7 60.7 49.9 23.6 86 77 A V E S+ 0 0 53 52,-2.1 2,-0.3 -2,-0.6 53,-0.2 0.550 71.4 22.7 -96.0 -12.5 63.9 51.8 24.4 87 78 A R E S- G 0 138B 166 51,-1.2 51,-2.7 47,-0.0 -1,-0.3 -0.930 116.3 -9.8-154.6 132.1 66.0 48.7 25.1 88 79 A G S S- 0 0 13 -2,-0.3 26,-2.1 49,-0.2 2,-0.3 -0.554 87.2 -68.4 84.4-149.9 65.7 45.2 23.9 89 80 A A E -K 113 0D 6 24,-0.2 44,-2.6 47,-0.2 45,-1.6 -0.992 39.8-176.2-149.8 140.7 62.6 43.8 22.2 90 81 A V E -KL 112 132D 0 22,-2.7 22,-2.1 -2,-0.3 2,-0.8 -0.957 30.0-128.9-134.1 151.9 59.0 43.1 23.0 91 82 A F E -KL 111 131D 40 40,-2.7 40,-1.9 -2,-0.3 2,-0.4 -0.932 38.0-158.5 -92.8 108.9 56.0 41.6 21.4 92 83 A D E -KL 110 130D 1 18,-2.9 18,-2.6 -2,-0.8 2,-0.4 -0.773 7.3-164.0 -98.5 133.9 53.5 44.3 22.1 93 84 A V E -KL 109 129D 0 36,-3.2 36,-2.4 -2,-0.4 2,-0.4 -0.956 10.9-167.0-126.3 130.4 49.8 43.5 21.9 94 85 A V E -KL 108 128D 1 14,-2.4 14,-2.1 -2,-0.4 2,-0.4 -0.901 10.8-163.7-108.9 144.8 46.7 45.7 21.8 95 86 A V E -KL 107 127D 0 32,-2.2 32,-3.2 -2,-0.4 2,-1.0 -0.994 19.8-131.3-132.6 125.8 43.3 44.2 22.4 96 87 A D E + L 0 126D 0 10,-2.5 9,-2.8 -2,-0.4 10,-0.3 -0.718 32.3 167.4 -79.8 107.6 40.0 45.8 21.5 97 88 A L + 0 0 0 28,-1.1 2,-0.9 -2,-1.0 -1,-0.2 0.243 35.0 119.8-100.6 8.6 37.9 45.6 24.7 98 89 A R > - 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