==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-07 2V8M . COMPND 2 MOLECULE: GLUCOAMYLASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOPUS ORYZAE; . AUTHOR J.-Y.TUNG,Y.-Y.LIU,Y.-J.SUN . 424 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 44.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 4 5 3 4 1 5 2 4 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 0 4 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 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 1 A A 0 0 14 0, 0.0 2,-0.3 0, 0.0 349,-0.1 0.000 360.0 360.0 360.0 -37.4 26.5 -9.4 20.9 2 2 A S - 0 0 32 205,-0.2 205,-0.2 385,-0.0 383,-0.1 -0.621 360.0-174.2 -86.5 144.9 23.5 -7.1 20.6 3 3 A I - 0 0 27 -2,-0.3 205,-0.1 203,-0.2 9,-0.0 -0.887 32.2 -67.3-136.8 167.6 20.3 -8.3 18.9 4 4 A P - 0 0 6 0, 0.0 202,-0.2 0, 0.0 201,-0.1 -0.206 30.4-147.6 -56.9 141.6 16.8 -7.1 17.8 5 5 A S S S- 0 0 84 200,-2.3 201,-0.1 1,-0.0 200,-0.1 0.856 82.8 -26.6 -77.3 -38.6 14.3 -6.1 20.4 6 6 A S S S+ 0 0 85 199,-0.2 200,-0.1 3,-0.0 199,-0.0 0.534 94.5 119.1-152.7 -23.0 11.3 -7.2 18.5 7 7 A A - 0 0 22 198,-0.2 3,-0.2 1,-0.1 88,-0.1 -0.203 54.1-141.5 -57.5 146.7 11.6 -7.3 14.7 8 8 A S S S+ 0 0 21 1,-0.3 20,-3.4 86,-0.2 2,-0.3 0.765 93.1 13.5 -78.4 -26.5 11.1 -10.7 13.0 9 9 A V E S+A 27 0A 2 85,-0.2 -1,-0.3 18,-0.2 2,-0.3 -0.984 74.0 165.5-149.7 136.9 13.9 -9.7 10.6 10 10 A Q E -A 26 0A 21 16,-2.1 16,-4.1 -2,-0.3 2,-0.3 -0.979 41.2 -95.0-155.3 144.7 16.4 -6.8 10.8 11 11 A L E -A 25 0A 0 -2,-0.3 14,-0.3 14,-0.2 199,-0.2 -0.423 29.4-179.4 -66.9 122.6 19.6 -5.9 9.1 12 12 A D E - 0 0 0 12,-1.7 198,-2.0 1,-0.3 2,-0.3 0.941 66.0 -33.9 -82.6 -59.6 22.8 -7.0 10.9 13 13 A S E -A 24 0A 9 11,-2.2 11,-2.8 196,-0.2 -1,-0.3 -0.995 51.8-164.5-160.2 161.3 25.2 -5.5 8.3 14 14 A Y E -A 23 0A 8 196,-0.5 2,-0.3 -2,-0.3 9,-0.3 -0.993 4.9-175.5-149.5 153.8 25.9 -4.7 4.7 15 15 A N E -A 22 0A 24 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.994 9.8-157.0-151.8 146.4 28.8 -3.8 2.4 16 16 A Y E -A 21 0A 18 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.995 7.3-177.3-129.5 136.4 29.4 -2.8 -1.3 17 17 A D - 0 0 115 3,-2.2 4,-0.1 -2,-0.4 -1,-0.1 0.569 54.7-106.6 -98.9 -30.1 32.7 -3.2 -3.2 18 18 A G S S+ 0 0 24 2,-0.3 3,-0.1 58,-0.1 -1,-0.0 -0.438 123.2 45.5 113.3 -39.9 31.7 -1.7 -6.4 19 19 A S S S+ 0 0 55 1,-0.2 57,-1.8 56,-0.1 2,-0.4 0.848 116.5 31.0 -86.4 -50.7 31.8 -5.2 -7.5 20 20 A T E - B 0 75A 38 55,-0.2 -3,-2.2 57,-0.1 2,-0.5 -0.944 54.5-153.3-135.5 135.1 30.0 -7.1 -4.8 21 21 A F E +AB 16 74A 1 53,-2.1 53,-2.3 -2,-0.4 2,-0.3 -0.947 29.8 159.0-105.7 126.8 27.3 -6.6 -2.3 22 22 A S E +AB 15 73A 28 -7,-2.6 -7,-2.5 -2,-0.5 2,-0.3 -0.881 1.2 134.9-141.2 174.8 27.3 -8.7 0.9 23 23 A G E -AB 14 72A 14 49,-1.8 49,-2.0 -2,-0.3 2,-0.3 -0.983 37.7-101.4 166.2-177.4 25.9 -8.6 4.4 24 24 A K E -AB 13 71A 65 -11,-2.8 -11,-2.2 -2,-0.3 -12,-1.7 -0.957 24.2-159.8-136.2 152.5 24.3 -10.3 7.4 25 25 A I E -AB 11 70A 0 45,-1.9 45,-1.6 -2,-0.3 2,-0.5 -0.979 19.4-125.6-137.4 147.6 20.7 -10.2 8.7 26 26 A Y E -AB 10 69A 0 -16,-4.1 -16,-2.1 -2,-0.3 2,-0.5 -0.808 31.4-170.4 -91.1 125.8 19.0 -11.0 12.1 27 27 A V E -AB 9 68A 0 41,-3.0 41,-2.7 -2,-0.5 2,-0.5 -0.976 21.1-135.3-124.3 129.1 16.3 -13.5 11.6 28 28 A K E - B 0 67A 60 -20,-3.4 2,-1.9 -2,-0.5 3,-0.3 -0.711 22.6-133.8 -79.7 121.4 13.7 -14.5 14.3 29 29 A N + 0 0 65 37,-1.7 3,-0.1 -2,-0.5 -1,-0.1 -0.505 51.5 144.1 -76.4 75.8 13.5 -18.3 14.3 30 30 A I + 0 0 57 -2,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.848 69.1 6.2 -86.0 -33.5 9.7 -18.6 14.3 31 31 A A S S- 0 0 26 -3,-0.3 -1,-0.2 1,-0.1 0, 0.0 -0.961 74.3-113.1-143.9 162.8 9.4 -21.7 12.0 32 32 A Y S S+ 0 0 216 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.1 0.924 94.6 64.8 -65.1 -55.6 11.8 -24.2 10.4 33 33 A S S S- 0 0 83 2,-0.0 56,-0.4 1,-0.0 2,-0.3 -0.646 72.4-179.2 -80.1 120.3 11.4 -23.5 6.7 34 34 A K - 0 0 27 -2,-0.6 2,-0.3 54,-0.1 54,-0.2 -0.779 30.0-167.9-125.7 162.2 12.5 -20.0 5.7 35 35 A K E +D 87 0B 124 52,-1.1 52,-3.0 -2,-0.3 2,-0.5 -0.844 17.4 167.8-147.6 105.0 12.9 -17.6 2.9 36 36 A V E +D 86 0B 2 20,-0.3 20,-2.4 -2,-0.3 2,-0.3 -0.977 11.1 167.1-119.9 123.3 14.9 -14.4 3.4 37 37 A T E -DE 85 55B 25 48,-2.8 48,-2.7 -2,-0.5 2,-0.5 -0.942 31.3-132.9-138.4 159.8 15.9 -12.3 0.5 38 38 A V E -DE 84 54B 0 16,-2.6 16,-1.9 -2,-0.3 2,-0.5 -0.950 18.2-165.9-113.2 128.9 17.3 -8.9 -0.3 39 39 A V E -DE 83 53B 2 44,-2.6 44,-2.4 -2,-0.5 2,-0.2 -0.976 14.9-177.4-121.2 117.4 15.6 -6.9 -3.0 40 40 A Y E -D 82 0B 34 12,-1.9 12,-0.4 -2,-0.5 42,-0.3 -0.685 21.5-113.8-112.9 165.3 17.6 -3.9 -4.2 41 41 A A - 0 0 0 40,-3.6 39,-2.0 -2,-0.2 40,-0.5 -0.723 39.0 -88.6-103.6 151.8 17.1 -1.0 -6.7 42 42 A D > - 0 0 60 4,-3.4 3,-1.9 -2,-0.3 38,-0.9 0.219 37.4-106.7 -43.3 164.1 18.9 -0.3 -9.9 43 43 A G T 3 S+ 0 0 35 1,-0.3 36,-0.2 35,-0.3 -1,-0.1 0.665 135.6 48.1 -71.0 -11.8 22.0 1.8 -10.2 44 44 A S T 3 S- 0 0 91 34,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.227 129.2-108.5-105.1 4.9 19.4 4.1 -11.6 45 45 A D < + 0 0 20 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.896 69.2 146.7 67.0 44.9 17.1 3.3 -8.5 46 46 A N - 0 0 89 1,-0.1 -4,-3.4 228,-0.1 -1,-0.2 -0.924 40.4-154.3-110.2 133.3 14.6 1.2 -10.5 47 47 A W >> - 0 0 62 -2,-0.5 5,-0.9 -6,-0.2 4,-0.8 0.641 20.1-140.2 -85.7 -11.8 13.1 -1.6 -8.6 48 48 A N T >45S- 0 0 90 1,-0.2 3,-1.8 2,-0.2 -2,-0.0 0.923 70.7 -59.4 53.5 47.3 12.3 -3.8 -11.6 49 49 A N T 345S- 0 0 154 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.889 101.6 -52.2 44.7 53.1 9.0 -4.7 -9.9 50 50 A N T 345S+ 0 0 82 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.655 112.7 125.4 61.2 19.9 10.8 -6.2 -6.9 51 51 A G T <<5 + 0 0 37 -3,-1.8 2,-1.6 -4,-0.8 -3,-0.2 0.600 35.8 88.3 -86.3 -16.1 12.8 -8.3 -9.4 52 52 A N < + 0 0 29 -5,-0.9 -12,-1.9 -12,-0.4 2,-0.3 -0.696 69.4 170.5 -84.8 91.8 16.4 -7.5 -8.5 53 53 A I E -E 39 0B 96 -2,-1.6 2,-0.4 -14,-0.2 -14,-0.2 -0.761 30.6-171.2-112.9 152.3 16.7 -10.2 -5.9 54 54 A I E -E 38 0B 15 -16,-1.9 -16,-2.6 -2,-0.3 2,-0.3 -0.930 19.5-140.2-144.2 111.4 19.4 -11.9 -3.8 55 55 A A E -E 37 0B 75 -2,-0.4 18,-0.3 -18,-0.2 -18,-0.2 -0.545 15.2-160.3 -74.8 132.0 18.7 -15.0 -1.8 56 56 A A - 0 0 11 -20,-2.4 -20,-0.3 -2,-0.3 2,-0.3 -0.575 8.0-152.5-102.0 170.9 20.3 -15.2 1.6 57 57 A S E -C 71 0A 68 14,-1.8 14,-2.6 -2,-0.2 2,-0.2 -0.951 27.1 -83.6-143.3 162.5 20.9 -18.4 3.5 58 58 A F E +C 70 0A 101 -2,-0.3 12,-0.3 12,-0.2 -24,-0.0 -0.449 42.4 165.7 -66.3 131.5 21.2 -19.7 7.1 59 59 A S E - 0 0 61 10,-2.9 11,-0.2 1,-0.3 -1,-0.2 0.706 59.1 -33.9-114.0 -46.1 24.7 -19.3 8.6 60 60 A G E -C 69 0A 15 9,-1.6 9,-3.5 2,-0.0 -1,-0.3 -0.946 52.5-103.0-176.6 153.2 24.2 -19.8 12.3 61 61 A P E -C 68 0A 92 0, 0.0 2,-0.7 0, 0.0 7,-0.2 -0.361 33.9-121.9 -78.2 160.7 22.1 -19.4 15.4 62 62 A I > - 0 0 3 5,-2.0 3,-1.1 3,-0.2 5,-0.5 -0.920 32.1-126.2-107.6 108.9 22.7 -16.7 18.0 63 63 A S B 3 S+h 386 0C 30 -2,-0.7 324,-2.2 322,-0.6 325,-0.2 -0.188 90.9 27.0 -57.2 142.8 23.2 -18.4 21.4 64 64 A G T 3 S+ 0 0 8 262,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.625 115.8 75.1 81.3 11.5 21.1 -17.3 24.2 65 65 A S S < S- 0 0 42 -3,-1.1 -1,-0.2 261,-0.2 -3,-0.2 -0.964 79.9-122.4-153.8 172.7 18.3 -16.2 21.8 66 66 A N S S+ 0 0 91 -2,-0.3 -37,-1.7 -3,-0.1 2,-0.3 -0.176 87.5 89.3-101.8 32.6 15.5 -16.9 19.5 67 67 A Y E -B 28 0A 24 -5,-0.5 -5,-2.0 -39,-0.3 2,-0.3 -0.892 54.8-170.5-127.0 157.6 17.3 -15.1 16.6 68 68 A E E -BC 27 61A 14 -41,-2.7 -41,-3.0 -2,-0.3 2,-0.4 -0.935 22.1-104.6-146.0 170.3 19.7 -16.3 14.0 69 69 A Y E -BC 26 60A 18 -9,-3.5 -10,-2.9 -2,-0.3 -9,-1.6 -0.822 25.7-179.2-104.1 133.1 22.1 -15.2 11.3 70 70 A W E -BC 25 58A 23 -45,-1.6 -45,-1.9 -2,-0.4 2,-0.4 -0.899 15.0-150.6-120.5 149.2 21.6 -15.4 7.6 71 71 A T E -BC 24 57A 53 -14,-2.6 -14,-1.8 -2,-0.3 2,-0.4 -0.974 11.6-172.1-130.6 148.8 24.2 -14.2 5.0 72 72 A F E +B 23 0A 6 -49,-2.0 -49,-1.8 -2,-0.4 2,-0.3 -0.999 12.4 159.3-139.2 132.7 24.1 -12.8 1.6 73 73 A S E +B 22 0A 86 -2,-0.4 2,-0.3 -18,-0.3 -51,-0.2 -0.946 16.3 147.2-151.1 128.9 26.9 -12.1 -0.9 74 74 A A E -B 21 0A 31 -53,-2.3 -53,-2.1 -2,-0.3 2,-0.6 -0.967 49.4 -90.1-156.6 168.5 26.5 -11.7 -4.7 75 75 A S E +B 20 0A 112 -2,-0.3 2,-0.4 -55,-0.2 -55,-0.2 -0.787 47.6 164.1 -92.2 121.1 27.8 -9.9 -7.7 76 76 A V - 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