==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 02-MAR-10 3M07 . COMPND 2 MOLECULE: PUTATIVE ALPHA AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA . AUTHOR G.MINASOV,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPAZISI, . 584 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 1 0.2 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 . 44 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 3 5 0 1 0 0 0 1 2 3 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 4 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 1 1 3 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 . 3 0 1 1 1 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 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 6 A F 0 0 55 0, 0.0 2,-0.5 0, 0.0 242,-0.1 0.000 360.0 360.0 360.0 135.9 72.9 16.3 -17.5 2 7 A C - 0 0 102 6,-0.0 2,-0.3 2,-0.0 6,-0.0 -0.722 360.0-170.4 -89.7 118.4 71.1 16.5 -20.9 3 8 A K - 0 0 10 -2,-0.5 5,-0.1 2,-0.1 233,-0.1 -0.871 33.3-138.5-120.0 149.6 67.2 16.4 -20.7 4 9 A S S S+ 0 0 6 -2,-0.3 2,-0.3 231,-0.1 -1,-0.1 0.786 95.0 46.1 -62.6 -35.8 64.2 16.1 -23.2 5 10 A W S S+ 0 0 0 230,-0.1 14,-0.2 2,-0.1 2,-0.1 -0.743 96.7 25.1-108.4 157.9 62.4 18.8 -21.3 6 11 A G E S-A 18 0A 3 12,-2.1 12,-2.2 -2,-0.3 2,-0.5 -0.462 91.8 -42.0 98.6-162.8 63.5 22.2 -20.0 7 12 A A E +A 17 0A 4 66,-0.3 2,-0.4 10,-0.2 81,-0.4 -0.954 59.8 166.1-119.2 116.2 66.1 24.8 -20.8 8 13 A E E -A 16 0A 26 8,-2.4 8,-3.0 -2,-0.5 2,-0.5 -0.977 41.1-111.6-134.2 144.5 69.6 23.6 -21.6 9 14 A Y E +A 15 0A 55 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.595 29.4 176.6 -69.3 118.5 72.8 25.0 -23.2 10 15 A I E S+ 0 0 82 4,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.406 75.5 9.9-101.1 -1.8 73.3 23.2 -26.5 11 16 A A E > S-A 14 0A 43 3,-1.1 3,-0.6 -3,-0.0 -1,-0.1 -0.917 95.0 -89.2-158.8 174.5 76.4 25.3 -27.2 12 17 A A T 3 S+ 0 0 104 -2,-0.3 -3,-0.0 1,-0.2 3,-0.0 0.770 128.3 24.2 -62.3 -24.1 78.5 27.7 -25.2 13 18 A D T 3 S+ 0 0 97 1,-0.1 39,-3.1 41,-0.0 2,-0.4 0.178 109.1 78.3-129.8 13.7 76.2 30.5 -26.3 14 19 A V E < -AB 11 51A 29 -3,-0.6 -4,-2.3 37,-0.2 -3,-1.1 -0.994 52.8-160.5-135.5 128.1 72.8 29.0 -27.2 15 20 A V E -AB 9 50A 0 35,-2.5 35,-2.6 -2,-0.4 2,-0.5 -0.936 9.2-151.9-106.9 129.9 70.0 27.8 -24.9 16 21 A R E -AB 8 49A 94 -8,-3.0 -8,-2.4 -2,-0.5 2,-0.5 -0.883 8.4-159.7 -97.6 126.4 67.4 25.3 -26.2 17 22 A F E -AB 7 48A 0 31,-2.8 31,-1.8 -2,-0.5 2,-0.4 -0.937 13.7-177.5-107.6 128.3 64.0 25.6 -24.5 18 23 A R E +AB 6 47A 60 -12,-2.2 -12,-2.1 -2,-0.5 2,-0.3 -0.993 9.1 167.7-135.0 136.3 61.7 22.6 -24.9 19 24 A L E - B 0 46A 0 27,-2.3 27,-2.8 -2,-0.4 2,-0.5 -0.990 26.0-142.7-144.3 141.4 58.2 21.9 -23.7 20 25 A W E + B 0 45A 13 -2,-0.3 25,-0.2 25,-0.2 2,-0.1 -0.961 30.8 161.3-106.3 123.2 55.6 19.1 -24.4 21 26 A A > + 0 0 0 23,-3.0 3,-1.7 -2,-0.5 189,-0.2 -0.568 11.1 165.7-146.7 75.9 52.1 20.6 -24.6 22 27 A T T 3 S+ 0 0 63 1,-0.3 188,-0.2 -2,-0.1 -1,-0.1 0.705 80.0 60.6 -66.7 -24.2 49.5 18.5 -26.4 23 28 A G T 3 S+ 0 0 42 186,-2.2 2,-0.4 21,-0.1 -1,-0.3 0.461 97.7 77.5 -80.5 -0.3 46.7 20.5 -25.0 24 29 A Q < - 0 0 32 -3,-1.7 3,-0.1 185,-0.5 -3,-0.1 -0.884 56.0-164.3-119.9 143.0 48.0 23.6 -26.7 25 30 A Q S S+ 0 0 163 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.810 86.1 7.2 -87.8 -36.0 47.9 24.9 -30.3 26 31 A K - 0 0 45 13,-0.0 38,-0.9 20,-0.0 2,-0.3 -0.988 62.5-165.5-144.1 152.7 50.7 27.4 -29.7 27 32 A V E -D 63 0B 0 11,-0.3 11,-2.3 -2,-0.3 2,-0.3 -0.999 8.6-152.9-135.6 139.8 53.1 28.3 -26.9 28 33 A M E -DE 62 37B 36 34,-2.8 34,-2.8 -2,-0.3 2,-0.6 -0.861 12.8-135.7-107.3 149.3 55.3 31.5 -26.5 29 34 A L E -DE 61 36B 0 7,-3.4 7,-2.9 -2,-0.3 2,-0.8 -0.927 14.1-156.7 -95.8 122.2 58.6 31.8 -24.6 30 35 A R E -DE 60 35B 79 30,-3.0 30,-1.5 -2,-0.6 2,-0.6 -0.884 17.1-174.5 -97.3 105.1 58.7 34.9 -22.5 31 36 A L E > -DE 59 34B 19 3,-3.0 3,-2.4 -2,-0.8 28,-0.2 -0.895 68.3 -22.8-111.1 121.6 62.4 35.6 -22.0 32 37 A A T 3 S- 0 0 66 26,-2.8 -1,-0.2 -2,-0.6 27,-0.1 0.916 130.5 -49.6 42.7 48.5 63.4 38.5 -19.7 33 38 A G T 3 S+ 0 0 63 -3,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.313 117.8 109.6 79.7 -6.3 59.9 39.9 -20.3 34 39 A K E < -E 31 0B 165 -3,-2.4 -3,-3.0 2,-0.0 2,-0.5 -0.894 62.3-131.8-111.0 131.8 59.9 39.7 -24.2 35 40 A D E +E 30 0B 75 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.690 24.6 174.5 -92.8 122.7 57.8 37.1 -26.1 36 41 A Q E -E 29 0B 88 -7,-2.9 -7,-3.4 -2,-0.5 2,-0.2 -0.964 32.6-116.7-121.9 138.6 59.0 34.8 -28.9 37 42 A E E -E 28 0B 133 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.529 26.0-135.9 -76.7 135.3 56.9 32.1 -30.6 38 43 A M - 0 0 4 -11,-2.3 2,-0.5 -2,-0.2 -11,-0.3 -0.642 20.2-113.3 -90.2 150.0 58.1 28.5 -30.1 39 44 A Q E -C 47 0A 137 8,-2.6 8,-2.1 -2,-0.3 2,-0.8 -0.710 17.7-136.5 -86.1 124.2 58.1 26.1 -33.1 40 45 A A E -C 46 0A 53 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.735 27.4-180.0 -76.9 112.9 55.7 23.2 -32.9 41 46 A N - 0 0 88 4,-1.9 5,-0.1 -2,-0.8 -1,-0.1 -0.192 47.4 -68.7-115.8 42.6 57.9 20.3 -34.0 42 47 A G S > S+ 0 0 42 3,-0.3 3,-1.6 2,-0.0 -1,-0.3 0.373 107.1 38.1 89.4 140.8 55.7 17.3 -34.0 43 48 A D T 3 S- 0 0 148 1,-0.3 -21,-0.1 -3,-0.1 189,-0.1 0.706 128.9 -57.4 62.4 25.3 53.9 15.1 -31.4 44 49 A G T 3 S+ 0 0 23 1,-0.3 -23,-3.0 -23,-0.1 -1,-0.3 0.361 101.2 135.7 89.6 -2.6 53.0 18.1 -29.1 45 50 A W E < -B 20 0A 21 -3,-1.6 -4,-1.9 -25,-0.2 2,-0.4 -0.541 34.5-167.6 -79.7 141.8 56.6 19.2 -28.7 46 51 A F E +BC 19 40A 7 -27,-2.8 -27,-2.3 -6,-0.2 2,-0.3 -0.984 10.2 179.0-126.1 141.0 57.5 22.9 -28.9 47 52 A T E +BC 18 39A 18 -8,-2.1 -8,-2.6 -2,-0.4 2,-0.3 -0.971 11.7 179.0-142.6 150.6 61.1 24.0 -29.1 48 53 A L E -B 17 0A 31 -31,-1.8 -31,-2.8 -2,-0.3 2,-0.5 -0.887 14.6-152.8-155.2 127.1 63.0 27.3 -29.4 49 54 A D E -B 16 0A 70 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.2 -0.846 15.5-170.0 -97.8 132.3 66.8 28.0 -29.6 50 55 A V E > -B 15 0A 14 -35,-2.6 -35,-2.5 -2,-0.5 3,-0.5 -0.985 11.7-142.1-128.8 121.5 67.9 31.4 -28.3 51 56 A A E 3 S+B 14 0A 76 -2,-0.4 -37,-0.2 -37,-0.2 -38,-0.0 -0.543 76.7 18.5 -79.7 147.2 71.4 32.7 -28.8 52 57 A G T 3 S+ 0 0 54 -39,-3.1 -1,-0.2 1,-0.2 -38,-0.2 0.216 74.6 156.0 86.3 -8.4 73.2 34.8 -26.2 53 58 A V < - 0 0 13 -3,-0.5 -1,-0.2 -40,-0.3 3,-0.1 -0.276 29.8-148.2 -60.7 122.8 71.1 33.8 -23.1 54 59 A T > - 0 0 88 1,-0.1 3,-1.8 -2,-0.1 33,-0.3 -0.570 27.3 -90.4 -90.3 153.7 73.1 34.3 -19.9 55 60 A P T 3 S+ 0 0 65 0, 0.0 33,-0.2 0, 0.0 -1,-0.1 -0.337 113.6 34.4 -60.0 142.2 72.7 32.2 -16.7 56 61 A G T 3 S+ 0 0 44 31,-3.1 2,-0.3 1,-0.3 32,-0.1 0.324 80.2 143.6 93.3 -7.9 70.1 33.7 -14.4 57 62 A T < - 0 0 25 -3,-1.8 30,-2.1 30,-0.2 -1,-0.3 -0.514 47.9-128.0 -65.2 130.6 67.9 35.0 -17.2 58 63 A E E + F 0 86B 69 -2,-0.3 -26,-2.8 28,-0.2 2,-0.3 -0.445 35.1 164.7 -79.8 149.4 64.3 34.7 -16.2 59 64 A Y E -DF 31 85B 4 26,-2.3 26,-2.8 -28,-0.2 12,-0.3 -0.993 16.6-179.1-159.7 162.3 61.7 33.0 -18.4 60 65 A N E -D 30 0B 18 -30,-1.5 -30,-3.0 -2,-0.3 2,-0.3 -0.933 29.8-114.6-149.4 166.6 58.2 31.6 -18.5 61 66 A F E -DG 29 69B 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.824 23.7-149.8-104.6 148.2 56.0 29.9 -21.1 62 67 A V E -DG 28 68B 6 -34,-2.8 -34,-2.8 -2,-0.3 6,-0.2 -0.984 14.2-136.9-124.2 125.3 52.8 31.6 -22.3 63 68 A L E > -D 27 0B 0 4,-3.0 3,-2.0 -2,-0.5 -36,-0.2 -0.310 32.1 -93.3 -82.8 162.4 49.9 29.6 -23.5 64 69 A S T 3 S+ 0 0 52 -38,-0.9 -37,-0.1 1,-0.3 -1,-0.1 0.789 127.8 44.1 -37.4 -43.3 47.6 30.0 -26.4 65 70 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.688 125.8 -94.8 -80.1 -22.8 45.2 32.0 -24.2 66 71 A G S < S+ 0 0 44 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.362 71.0 149.1 119.8 -1.4 47.7 34.1 -22.4 67 72 A M - 0 0 73 -5,-0.1 -4,-3.0 1,-0.1 2,-0.5 -0.502 37.9-145.0 -65.7 130.1 48.3 32.0 -19.2 68 73 A V E +G 62 0B 52 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.883 24.8 177.1-101.3 124.0 51.9 32.5 -18.0 69 74 A V E -G 61 0B 0 -8,-2.7 -8,-2.4 -2,-0.5 13,-0.1 -0.914 30.3-110.7-129.0 151.8 53.4 29.3 -16.4 70 75 A P - 0 0 2 0, 0.0 -10,-0.1 0, 0.0 135,-0.1 -0.302 51.1 -89.2 -64.6 162.4 56.8 28.2 -14.9 71 76 A D > - 0 0 0 -12,-0.3 3,-2.2 1,-0.2 15,-0.1 -0.680 33.1-145.3 -70.4 120.8 58.8 25.7 -16.9 72 77 A P T 3 S+ 0 0 7 0, 0.0 91,-0.4 0, 0.0 92,-0.4 0.813 104.4 44.3 -60.9 -26.5 57.5 22.4 -15.5 73 78 A A T 3 S+ 0 0 0 89,-0.1 -66,-0.3 90,-0.1 89,-0.1 0.025 87.4 157.8-103.3 26.2 61.1 21.1 -15.9 74 79 A S < - 0 0 0 -3,-2.2 90,-0.3 1,-0.1 3,-0.1 -0.170 37.7-154.3 -45.6 135.8 62.6 24.3 -14.4 75 80 A R S S- 0 0 5 11,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.537 79.9 -2.1 -87.4 -14.6 66.1 23.9 -13.0 76 81 A A - 0 0 2 10,-0.2 10,-2.3 89,-0.2 2,-0.4 -0.847 64.6-134.6-174.2 141.6 65.4 26.8 -10.6 77 82 A Q B -H 85 0B 4 89,-0.4 8,-0.2 -2,-0.2 4,-0.1 -0.818 13.4-140.6-103.2 140.9 62.8 29.3 -9.7 78 83 A K S S- 0 0 105 6,-2.5 -1,-0.1 -2,-0.4 7,-0.1 0.942 86.2 -30.1 -58.6 -51.1 63.4 33.0 -9.1 79 84 A T S S+ 0 0 76 5,-0.5 89,-0.3 1,-0.5 -2,-0.2 0.207 116.4 8.3-131.5 -96.6 61.0 33.1 -6.1 80 85 A D S > S- 0 0 62 88,-0.1 3,-1.0 87,-0.1 -1,-0.5 -0.197 75.9 -94.9 -98.8 179.3 58.0 30.9 -5.8 81 86 A V T 3 S+ 0 0 0 69,-0.3 70,-0.1 1,-0.3 -1,-0.1 0.753 122.2 46.5 -66.0 -24.4 56.5 27.9 -7.7 82 87 A N T 3 S+ 0 0 50 -13,-0.1 -1,-0.3 122,-0.0 3,-0.1 0.564 102.3 79.8 -94.0 -11.6 54.2 30.1 -9.9 83 88 A G S < S- 0 0 12 -3,-1.0 -24,-0.0 1,-0.2 0, 0.0 0.056 91.9 -44.8 -86.6-165.6 56.8 32.7 -10.8 84 89 A P - 0 0 27 0, 0.0 -6,-2.5 0, 0.0 -5,-0.5 -0.268 46.0-143.0 -63.1 145.0 59.6 32.9 -13.4 85 90 A S E -FH 59 77B 0 -26,-2.8 -26,-2.3 -8,-0.2 2,-0.4 -0.548 19.8-141.7 -88.3 165.2 62.1 30.1 -13.9 86 91 A Y E -F 58 0B 45 -10,-2.3 -11,-0.4 -28,-0.2 2,-0.4 -0.981 16.8-105.8-135.0 153.2 65.7 30.9 -14.6 87 92 A V - 0 0 1 -30,-2.1 -31,-3.1 -2,-0.4 2,-0.4 -0.588 38.0-152.5 -71.9 125.3 68.4 29.5 -16.9 88 93 A V - 0 0 8 -2,-0.4 -79,-0.2 -81,-0.4 3,-0.0 -0.861 9.9-140.4-104.6 137.9 70.9 27.6 -14.9 89 94 A D > - 0 0 57 -2,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.876 8.2-155.8 -92.2 109.2 74.6 27.1 -15.8 90 95 A P T 3 S+ 0 0 43 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.734 93.8 49.5 -55.0 -23.8 75.5 23.4 -14.9 91 96 A G T 3 S+ 0 0 54 1,-0.2 -2,-0.0 3,-0.0 -3,-0.0 0.325 78.3 95.8-101.0 7.5 79.1 24.5 -14.7 92 97 A S S < S+ 0 0 57 -3,-1.9 2,-0.4 2,-0.1 -1,-0.2 0.880 74.4 72.7 -65.8 -34.9 78.8 27.6 -12.4 93 98 A Y S S- 0 0 33 -4,-0.4 2,-0.8 -3,-0.3 82,-0.0 -0.681 77.6-143.9 -82.9 129.3 79.6 25.5 -9.3 94 99 A T - 0 0 112 -2,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.837 16.5-141.2 -93.1 109.0 83.2 24.5 -9.0 95 100 A W - 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