==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-NOV-07 3BCF . COMPND 2 MOLECULE: ALPHA AMYLASE, CATALYTIC REGION; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOTHERMOTHRIX ORENII; . AUTHOR T.-C.TAN,B.N.MIJTS,K.SWAMINATHAN,B.K.C.PATEL,C.DIVNE . 585 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 1 1 0 0 1 1 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 4 2 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 4 3 3 2 2 1 0 2 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 2 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 15 A S 0 0 120 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 136.1 -7.9 12.8 27.5 2 16 A L + 0 0 19 83,-0.1 2,-0.3 25,-0.1 83,-0.1 -0.484 360.0 140.6 -78.9 128.0 -6.5 9.7 29.2 3 17 A F - 0 0 113 -2,-0.3 24,-2.2 83,-0.1 2,-0.7 -0.986 55.2 -97.1-154.0 163.0 -3.5 7.8 27.8 4 18 A L E -A 26 0A 49 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.758 30.9-174.9 -81.1 115.5 -0.4 6.0 29.1 5 19 A I E - 0 0 92 20,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.938 66.8 -27.8 -74.8 -45.8 2.5 8.5 28.9 6 20 A E E -A 25 0A 112 19,-1.3 19,-2.5 2,-0.0 2,-0.3 -0.973 54.5-146.9-158.8 163.0 5.1 5.9 29.9 7 21 A S E -A 24 0A 14 -2,-0.3 17,-0.2 17,-0.2 4,-0.1 -0.980 22.7-117.6-132.5 153.1 5.6 2.7 31.9 8 22 A E E S+A 23 0A 134 15,-2.6 15,-2.8 -2,-0.3 2,-0.2 -0.955 110.5 34.2-125.5 111.3 8.5 1.3 33.9 9 23 A P S S- 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.543 109.7-127.1 -75.2 163.1 9.4 -1.3 32.6 10 24 A S > - 0 0 54 -2,-0.2 3,-2.0 1,-0.1 -2,-0.1 -0.505 31.0 -88.9 -81.5 151.9 8.7 -0.0 29.1 11 25 A T T 3 S+ 0 0 82 1,-0.3 81,-0.2 -2,-0.2 -1,-0.1 -0.380 116.5 24.0 -61.5 138.6 6.5 -2.1 26.8 12 26 A G T 3 S+ 0 0 37 79,-2.2 -1,-0.3 1,-0.3 80,-0.2 0.229 94.5 140.4 92.5 -9.3 8.7 -4.5 24.8 13 27 A A < - 0 0 10 -3,-2.0 80,-2.3 78,-0.5 2,-0.5 -0.203 52.2-134.4 -70.5 154.4 11.5 -4.5 27.5 14 28 A S E -d 93 0B 34 78,-0.2 80,-0.2 464,-0.1 2,-0.2 -0.971 37.3-167.6-101.4 125.2 13.6 -7.4 28.7 15 29 A V E -d 94 0B 12 78,-3.1 80,-3.5 -2,-0.5 2,-0.2 -0.619 24.2 -98.9-120.1 163.6 13.7 -7.2 32.5 16 30 A S > - 0 0 55 -2,-0.2 3,-1.7 78,-0.2 50,-0.1 -0.533 30.2-125.1 -75.9 146.1 15.5 -8.7 35.5 17 31 A K T 3 S+ 0 0 84 1,-0.3 49,-0.6 -2,-0.2 -1,-0.1 0.658 111.2 66.4 -63.6 -13.9 13.7 -11.5 37.4 18 32 A N T 3 + 0 0 120 47,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.170 66.2 134.6 -93.5 14.7 14.2 -9.2 40.4 19 33 A L < - 0 0 39 -3,-1.7 47,-0.4 1,-0.2 45,-0.1 -0.547 33.7-174.1 -59.0 122.1 11.9 -6.5 39.0 20 34 A T + 0 0 94 -2,-0.4 43,-0.6 1,-0.2 44,-0.3 0.644 55.8 15.4 -98.6 -15.6 9.8 -5.7 42.1 21 35 A E E - B 0 62A 77 41,-0.1 2,-0.5 42,-0.1 41,-0.2 -0.987 54.8-139.9-153.8 159.4 7.1 -3.3 40.6 22 36 A I E - B 0 61A 0 39,-2.6 39,-3.0 -2,-0.3 2,-0.5 -0.996 20.7-159.6-118.9 124.5 5.5 -2.0 37.5 23 37 A I E -AB 8 60A 22 -15,-2.8 -15,-2.6 -2,-0.5 2,-0.5 -0.934 2.9-165.6-104.1 130.6 4.8 1.7 37.4 24 38 A L E -AB 7 59A 0 35,-2.2 35,-2.2 -2,-0.5 2,-0.6 -0.980 6.3-158.1-114.8 120.9 2.2 3.0 34.9 25 39 A I E -AB 6 58A 28 -19,-2.5 -20,-2.4 -2,-0.5 -19,-1.3 -0.879 13.7-165.8-103.7 115.3 2.2 6.8 34.3 26 40 A F E -A 4 0A 0 31,-3.1 -22,-0.2 -2,-0.6 -24,-0.1 -0.561 30.6-120.7-102.9 161.9 -1.1 8.3 32.9 27 41 A S S S+ 0 0 30 -24,-2.2 2,-0.2 -2,-0.2 -25,-0.1 0.877 95.7 32.7 -63.2 -42.4 -2.1 11.6 31.4 28 42 A N S S- 0 0 24 -25,-0.2 -2,-0.2 29,-0.1 2,-0.1 -0.638 98.8 -83.9-111.8 170.2 -4.8 12.4 34.1 29 43 A D - 0 0 84 -2,-0.2 52,-1.8 1,-0.1 2,-0.5 -0.493 52.2-124.2 -68.1 145.6 -5.2 11.8 37.8 30 44 A I E -E 80 0B 11 26,-3.3 50,-0.2 50,-0.2 26,-0.2 -0.844 29.1-179.7-107.1 126.7 -6.7 8.3 38.3 31 45 A N E + 0 0 97 48,-1.2 2,-0.3 -2,-0.5 49,-0.2 0.798 67.1 3.6 -85.2 -33.5 -9.8 7.6 40.2 32 46 A K E -E 79 0B 121 47,-2.4 47,-2.1 0, 0.0 2,-0.5 -0.996 44.3-144.8-158.2 151.9 -10.0 3.8 39.9 33 47 A V E +E 78 0B 8 -2,-0.3 45,-0.2 45,-0.2 3,-0.1 -0.940 24.0 175.9-119.2 102.0 -8.5 0.5 38.6 34 48 A S E + 0 0 66 43,-1.6 2,-0.4 -2,-0.5 44,-0.2 0.941 67.9 13.5 -78.1 -46.3 -11.4 -1.6 37.6 35 49 A Q E +E 77 0B 121 42,-1.3 42,-2.9 2,-0.0 2,-0.3 -0.982 62.6 167.3-132.3 143.9 -9.4 -4.5 36.2 36 50 A L E +E 76 0B 32 -2,-0.4 2,-0.3 40,-0.3 40,-0.2 -0.958 5.9 167.5-149.7 130.2 -5.8 -5.5 36.5 37 51 A A E -E 75 0B 14 38,-2.4 38,-2.6 -2,-0.3 2,-0.5 -0.974 23.2-155.7-145.8 142.8 -4.1 -8.8 35.6 38 52 A L E -E 74 0B 0 9,-0.4 9,-3.0 -2,-0.3 2,-0.4 -0.970 27.8-167.4-114.1 114.0 -0.6 -9.8 35.2 39 53 A T E -EF 73 46B 11 34,-3.0 34,-2.5 -2,-0.5 2,-0.6 -0.852 26.4-139.8-115.2 132.7 -0.5 -12.8 32.8 40 54 A D E >> -EF 72 45B 10 5,-2.2 5,-1.2 -2,-0.4 4,-0.9 -0.788 22.2-157.3 -78.3 116.2 2.2 -15.4 31.9 41 55 A L T 45S+ 0 0 34 30,-2.3 -1,-0.1 -2,-0.6 31,-0.1 0.602 82.3 58.6 -83.7 -10.5 1.6 -15.7 28.2 42 56 A I T 45S+ 0 0 57 29,-0.4 -1,-0.2 1,-0.1 515,-0.1 0.947 122.3 24.2 -80.0 -53.0 3.1 -19.2 27.7 43 57 A T T 45S- 0 0 91 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.476 100.7-133.5 -84.7 -7.1 0.8 -21.0 30.2 44 58 A D T <5 + 0 0 128 -4,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.919 57.4 139.6 53.5 44.6 -2.0 -18.3 29.8 45 59 A S E < -F 40 0B 54 -5,-1.2 -5,-2.2 3,-0.0 2,-0.3 -0.977 51.9-127.8-123.6 133.7 -2.4 -18.1 33.6 46 60 A D E -F 39 0B 80 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.597 28.5-114.7 -76.2 135.1 -3.0 -14.9 35.6 47 61 A I > - 0 0 51 -9,-3.0 3,-0.7 -2,-0.3 -9,-0.4 -0.615 34.5-134.1 -69.9 119.3 -0.6 -14.4 38.6 48 62 A Q T 3 S+ 0 0 165 -2,-0.5 -1,-0.0 1,-0.2 -11,-0.0 -0.576 76.2 23.9 -76.3 134.6 -2.7 -14.5 41.7 49 63 A G T 3 S+ 0 0 51 -2,-0.3 -1,-0.2 1,-0.2 2,-0.0 0.580 70.5 155.9 94.7 15.9 -2.3 -11.9 44.5 50 64 A I < - 0 0 28 -3,-0.7 2,-0.3 -12,-0.1 13,-0.2 -0.392 26.9-151.5 -68.1 151.3 -0.8 -8.9 42.7 51 65 A D E -C 62 0A 80 11,-3.0 11,-2.9 -2,-0.0 2,-0.3 -0.852 10.5-166.5-121.7 160.9 -1.5 -5.6 44.4 52 66 A Y E -C 61 0A 108 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.974 6.1-162.1-141.7 162.0 -1.8 -2.0 43.2 53 67 A N E -C 60 0A 92 7,-1.6 7,-2.1 -2,-0.3 2,-0.4 -0.968 17.0-134.7-148.9 126.1 -1.8 1.5 44.6 54 68 A I E +C 59 0A 54 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.681 22.3 175.6 -85.8 126.8 -3.0 4.7 43.0 55 69 A E E > -C 58 0A 109 3,-2.7 3,-2.3 -2,-0.4 2,-0.5 -0.822 60.0 -72.3-130.6 93.6 -0.8 7.9 43.4 56 70 A G T 3 S- 0 0 39 -2,-0.4 -26,-3.3 1,-0.3 -28,-0.1 -0.429 119.1 -8.1 59.6-110.3 -2.2 10.8 41.4 57 71 A N T 3 S+ 0 0 52 -2,-0.5 -31,-3.1 -28,-0.3 2,-0.3 0.347 124.6 84.1 -96.4 5.4 -1.6 10.0 37.8 58 72 A K E < -BC 25 55A 86 -3,-2.3 -3,-2.7 -33,-0.2 2,-0.4 -0.814 56.1-160.9-110.6 150.7 0.5 6.9 38.5 59 73 A V E -BC 24 54A 0 -35,-2.2 -35,-2.2 -2,-0.3 2,-0.5 -0.994 8.5-159.2-128.2 123.6 -0.4 3.2 39.3 60 74 A I E -BC 23 53A 18 -7,-2.1 -7,-1.6 -2,-0.4 2,-0.5 -0.903 7.5-166.1-106.8 125.7 2.2 0.9 41.0 61 75 A I E +BC 22 52A 0 -39,-3.0 -39,-2.6 -2,-0.5 -9,-0.3 -0.947 23.7 138.0-111.4 134.4 1.6 -2.7 40.6 62 76 A N E +BC 21 51A 54 -11,-2.9 -11,-3.0 -2,-0.5 -41,-0.1 -0.789 22.3 94.9-151.7-164.2 3.5 -5.2 42.8 63 77 A N + 0 0 104 -43,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.807 68.8 114.1 76.7 35.8 3.4 -8.4 44.8 64 78 A F - 0 0 23 -44,-0.3 2,-0.3 -45,-0.1 -1,-0.3 -0.816 54.0-147.9-127.3 165.6 4.6 -10.7 42.1 65 79 A S - 0 0 101 -2,-0.3 2,-0.2 -3,-0.1 -47,-0.1 -0.931 21.2-146.1-138.7 111.5 7.7 -12.8 41.4 66 80 A L - 0 0 4 -49,-0.6 -47,-0.0 -47,-0.4 6,-0.0 -0.536 7.2-133.4 -88.9 142.8 8.7 -13.3 37.8 67 81 A E > - 0 0 104 -2,-0.2 3,-1.4 1,-0.1 27,-0.2 -0.704 32.2-101.6 -89.1 139.4 10.3 -16.4 36.3 68 82 A P T 3 S+ 0 0 35 0, 0.0 28,-0.2 0, 0.0 27,-0.2 -0.365 103.3 16.7 -62.5 145.8 13.3 -16.1 34.0 69 83 A T T 3 S+ 0 0 13 25,-1.7 2,-0.3 26,-0.6 27,-0.1 0.515 96.1 133.0 68.8 12.0 12.7 -16.4 30.2 70 84 A C < - 0 0 14 -3,-1.4 24,-2.1 25,-0.2 2,-0.4 -0.728 51.9-140.2 -97.9 145.4 9.0 -15.8 30.7 71 85 A N E - G 0 93B 3 -2,-0.3 -30,-2.3 22,-0.2 -29,-0.4 -0.867 26.6-173.8 -98.8 130.4 6.8 -13.4 28.6 72 86 A Y E -EG 40 92B 2 20,-2.9 20,-1.8 -2,-0.4 2,-0.4 -0.912 16.0-154.0-126.9 149.6 4.2 -11.5 30.7 73 87 A R E -EG 39 91B 90 -34,-2.5 -34,-3.0 -2,-0.3 2,-0.7 -0.995 3.5-157.9-120.9 133.0 1.4 -9.1 29.9 74 88 A L E -EG 38 90B 0 16,-2.8 16,-1.9 -2,-0.4 2,-0.4 -0.947 18.2-173.3-103.1 111.8 0.1 -6.5 32.4 75 89 A S E +EG 37 89B 39 -38,-2.6 -38,-2.4 -2,-0.7 2,-0.3 -0.843 6.5 175.0-105.7 141.5 -3.5 -5.6 31.3 76 90 A Y E -EG 36 88B 13 12,-2.2 12,-1.9 -2,-0.4 2,-0.4 -0.991 26.6-161.4-141.9 144.5 -5.4 -2.8 33.0 77 91 A E E -EG 35 87B 58 -42,-2.9 -43,-1.6 -2,-0.3 -42,-1.3 -0.983 26.0-178.5-120.5 123.2 -8.7 -0.9 32.8 78 92 A V E -EG 33 86B 0 8,-2.5 8,-2.0 -2,-0.4 2,-0.5 -0.917 20.8-151.6-115.2 145.0 -8.5 2.4 34.6 79 93 A I E -EG 32 85B 24 -47,-2.1 -47,-2.4 -2,-0.4 -48,-1.2 -0.987 22.0-149.9-109.8 125.1 -11.2 5.1 35.1 80 94 A D E > -E 30 0B 0 4,-2.4 3,-1.4 -2,-0.5 -50,-0.2 -0.100 33.8 -88.4 -84.7-173.4 -9.7 8.6 35.5 81 95 A I T 3 S+ 0 0 88 -52,-1.8 -51,-0.1 1,-0.3 -1,-0.1 0.611 128.0 52.0 -79.2 -11.4 -11.1 11.6 37.5 82 96 A Y T 3 S- 0 0 151 -53,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.031 122.6-105.5-104.2 25.0 -13.2 12.8 34.6 83 97 A D < + 0 0 113 -3,-1.4 2,-0.2 1,-0.2 -2,-0.1 0.718 68.7 153.0 58.4 24.9 -14.7 9.3 34.2 84 98 A N - 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