==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUN-05 1ZY9 . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 526 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 22.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 0 0 0 0 3 1 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 PARALLEL BRIDGES PER LADDER . 4 3 3 5 3 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 1 0 0 2 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 0 A H 0 0 128 0, 0.0 52,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -35.4 74.0 46.6 21.0 2 1 A X E -A 52 0A 28 50,-0.2 7,-2.7 7,-0.1 2,-0.4 -0.989 360.0-154.7-154.2 138.6 75.4 49.9 22.5 3 2 A E E -AB 51 8A 75 48,-2.3 48,-1.7 -2,-0.3 2,-0.5 -0.921 12.4-160.5-111.3 134.2 75.9 53.6 22.3 4 3 A I E > S-AB 50 7A 6 3,-3.0 3,-1.9 -2,-0.4 46,-0.2 -0.970 80.3 -17.6-109.4 126.7 78.9 55.4 24.0 5 4 A F T 3 S- 0 0 7 44,-2.8 -1,-0.2 -2,-0.5 45,-0.1 0.911 132.4 -47.5 40.2 51.9 78.3 59.1 24.5 6 5 A G T 3 S+ 0 0 46 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.134 122.2 87.3 88.6 -23.4 75.5 59.2 21.8 7 6 A K E < S-B 4 0A 123 -3,-1.9 -3,-3.0 1,-0.1 -1,-0.2 -0.779 86.9 -78.3-115.3 158.5 77.3 57.2 19.1 8 7 A T E -B 3 0A 114 -2,-0.3 -5,-0.2 -5,-0.3 -1,-0.1 -0.163 61.4 -88.2 -54.0 137.4 77.7 53.5 18.2 9 8 A F + 0 0 42 -7,-2.7 2,-0.3 1,-0.0 -1,-0.1 -0.240 59.7 161.5 -50.1 129.7 80.2 51.5 20.3 10 9 A R - 0 0 115 -3,-0.1 17,-0.1 2,-0.1 2,-0.1 -0.963 38.1-121.5-155.7 130.4 83.6 51.7 18.7 11 10 A E S S+ 0 0 121 -2,-0.3 2,-0.3 15,-0.1 17,-0.2 -0.423 71.3 56.0 -66.2 149.3 87.1 51.0 20.1 12 11 A G E S-F 27 0B 28 15,-2.1 15,-3.1 -2,-0.1 2,-0.3 -0.815 87.9 -46.2 128.1-167.2 89.5 53.9 19.9 13 12 A R E +F 26 0B 157 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.827 56.0 168.7-110.7 145.7 89.9 57.6 20.9 14 13 A F E -F 25 0B 66 11,-2.6 11,-2.2 -2,-0.3 2,-0.3 -0.966 26.5-145.0-154.6 162.5 87.2 60.2 20.5 15 14 A V E -F 24 0B 65 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 6.5-163.2-133.5 140.4 86.0 63.7 21.2 16 15 A L E -F 23 0B 19 7,-2.6 7,-2.4 -2,-0.3 2,-0.6 -0.953 8.2-170.5-123.5 110.1 82.4 64.9 21.8 17 16 A K E +F 22 0B 154 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.896 13.4 173.3 -97.2 120.8 81.9 68.7 21.5 18 17 A E - 0 0 104 3,-3.1 -2,-0.0 -2,-0.6 0, 0.0 -0.698 46.8 -99.7-115.3 176.4 78.5 69.8 22.6 19 18 A K S S+ 0 0 150 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.981 121.6 25.5 -54.9 -57.3 77.0 73.2 23.1 20 19 A N S S+ 0 0 108 23,-0.1 23,-2.0 22,-0.1 2,-0.3 0.610 128.0 13.5 -85.8 -26.6 77.5 73.1 26.8 21 20 A F E - G 0 42B 33 21,-0.3 -3,-3.1 23,-0.1 2,-0.4 -0.960 53.9-140.2-149.2 170.0 80.5 70.7 27.3 22 21 A T E -FG 17 41B 21 19,-2.2 19,-2.3 -2,-0.3 2,-0.4 -0.998 13.8-171.0-136.5 133.9 83.3 68.8 25.8 23 22 A V E -FG 16 40B 0 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.5 -0.986 7.8-165.8-127.4 131.4 84.5 65.2 26.5 24 23 A E E +FG 15 39B 63 15,-1.9 15,-2.4 -2,-0.4 2,-0.3 -0.958 29.1 161.7-107.6 128.6 87.7 63.4 25.3 25 24 A F E -FG 14 38B 19 -11,-2.2 -11,-2.6 -2,-0.5 2,-0.4 -0.954 32.1-142.5-149.3 162.5 87.6 59.7 25.8 26 25 A A E -FG 13 37B 26 11,-2.4 11,-1.8 -2,-0.3 2,-0.7 -0.985 7.1-152.8-130.3 136.2 89.0 56.3 24.9 27 26 A V E +FG 12 36B 2 -15,-3.1 -15,-2.1 -2,-0.4 2,-0.3 -0.956 34.7 178.6-101.4 103.8 87.2 53.0 24.6 28 27 A E E - G 0 35B 48 7,-2.6 7,-2.2 -2,-0.7 2,-0.3 -0.875 30.9-114.9-118.7 144.8 90.0 50.6 25.4 29 28 A K E + G 0 34B 143 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.581 39.7 169.7 -72.0 131.6 90.2 46.7 25.6 30 29 A I E > - G 0 33B 39 3,-2.5 3,-1.5 -2,-0.3 2,-0.2 -0.804 49.4 -59.6-127.3 176.4 90.9 45.4 29.1 31 30 A H T 3 S- 0 0 124 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.449 123.6 -0.8 -60.5 121.3 90.8 41.9 30.5 32 31 A L T 3 S- 0 0 36 -2,-0.2 125,-2.6 1,-0.1 2,-0.3 0.417 134.4 -23.0 73.2 8.0 87.3 40.5 30.2 33 32 A G E < S-GH 30 156B 10 -3,-1.5 -3,-2.5 123,-0.2 2,-0.3 -0.908 84.1 -41.9 171.1-135.5 85.8 43.6 28.5 34 33 A W E -GH 29 155B 62 121,-2.3 121,-2.5 -2,-0.3 2,-0.4 -0.931 26.2-152.1-135.0 154.3 86.1 47.3 27.9 35 34 A K E -GH 28 154B 49 -7,-2.2 -7,-2.6 -2,-0.3 2,-0.5 -0.997 4.2-160.8-130.2 123.7 86.9 50.6 29.8 36 35 A I E +GH 27 153B 3 117,-2.9 117,-2.6 -2,-0.4 2,-0.3 -0.942 31.2 151.7-100.7 120.5 85.6 54.0 28.9 37 36 A S E +G 26 0B 35 -11,-1.8 -11,-2.4 -2,-0.5 2,-0.3 -0.937 6.3 106.9-148.0 161.5 87.7 56.7 30.5 38 37 A G E -G 25 0B 28 -2,-0.3 112,-2.4 -13,-0.2 2,-0.3 -0.966 54.6 -74.8 161.5-149.2 88.7 60.3 29.7 39 38 A R E -GI 24 149B 111 -15,-2.4 -15,-1.9 110,-0.3 2,-0.3 -0.959 28.9-157.8-153.8 158.8 88.1 63.9 30.8 40 39 A V E -GI 23 148B 0 108,-3.0 108,-1.9 -2,-0.3 2,-0.3 -0.980 7.0-178.2-146.6 145.2 85.4 66.5 30.6 41 40 A K E +G 22 0B 72 -19,-2.3 -19,-2.2 -2,-0.3 2,-0.4 -0.957 49.2 40.3-141.0 161.6 85.0 70.2 30.8 42 41 A G E S-GI 21 144B 20 102,-2.9 102,-3.0 -2,-0.3 -21,-0.3 -0.813 109.9 -40.5 107.4-138.9 82.2 72.7 30.6 43 42 A S + 0 0 49 -23,-2.0 100,-0.1 -2,-0.4 -1,-0.1 -0.756 59.8 169.7-131.5 85.0 78.9 72.0 32.2 44 43 A P + 0 0 5 0, 0.0 -1,-0.1 0, 0.0 93,-0.1 0.640 15.1 176.8 -72.0 -19.0 78.1 68.3 31.6 45 44 A G + 0 0 16 97,-0.4 94,-2.1 1,-0.1 2,-0.9 -0.250 69.2 0.4 52.1-123.8 75.2 68.3 34.0 46 45 A R E S- C 0 138A 85 92,-0.2 2,-0.5 93,-0.1 92,-0.2 -0.866 88.8-160.5 -94.9 104.6 73.7 64.8 33.8 47 46 A L E - C 0 137A 5 90,-2.9 90,-2.3 -2,-0.9 2,-0.4 -0.755 12.1-141.0 -97.5 116.6 76.0 63.2 31.3 48 47 A E E + C 0 136A 48 -2,-0.5 88,-0.2 88,-0.2 3,-0.1 -0.615 27.4 167.1 -77.0 127.0 74.9 60.1 29.3 49 48 A V E + 0 0 4 86,-2.7 -44,-2.8 -2,-0.4 2,-0.3 0.765 62.1 13.6-106.1 -42.8 77.9 57.8 29.0 50 49 A L E -AC 4 135A 0 85,-1.2 85,-2.3 -46,-0.2 -1,-0.4 -0.967 53.9-173.6-142.1 148.6 76.3 54.5 27.8 51 50 A R E +AC 3 134A 43 -48,-1.7 -48,-2.3 -2,-0.3 2,-0.3 -0.990 21.8 138.8-140.2 138.7 72.9 53.3 26.4 52 51 A T E -AC 2 133A 14 81,-1.6 81,-3.2 -2,-0.3 2,-0.5 -0.967 57.0 -62.9-167.2 171.0 71.8 49.7 25.7 53 52 A K E - C 0 132A 165 -52,-0.6 79,-0.3 -2,-0.3 78,-0.1 -0.534 54.0-120.7 -70.9 120.6 68.9 47.4 26.0 54 53 A A - 0 0 4 77,-1.6 2,-0.1 -2,-0.5 -1,-0.1 -0.298 25.0-129.6 -46.6 132.8 67.9 46.8 29.6 55 54 A P - 0 0 15 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.465 18.8-116.5 -76.3 169.9 68.1 43.1 30.5 56 55 A E S S+ 0 0 138 1,-0.2 18,-2.6 -2,-0.1 19,-0.5 0.889 98.8 36.6 -75.0 -43.4 65.1 41.6 32.2 57 56 A K E S+J 73 0B 72 16,-0.2 2,-0.4 17,-0.1 53,-0.3 -0.959 73.1 176.2-119.1 127.0 66.7 40.8 35.6 58 57 A V E -J 72 0B 3 14,-2.2 14,-2.3 -2,-0.4 2,-0.7 -0.996 32.3-133.8-137.2 135.1 69.3 43.0 37.1 59 58 A L E -JK 71 108B 0 49,-3.0 49,-1.9 -2,-0.4 2,-0.3 -0.822 38.5-171.7 -79.0 116.6 71.3 43.2 40.3 60 59 A V E -J 70 0B 13 10,-2.4 10,-1.7 -2,-0.7 2,-0.4 -0.760 9.2-148.3-115.5 163.8 71.0 46.8 41.4 61 60 A N E -J 69 0B 2 45,-0.5 43,-3.8 -2,-0.3 8,-0.2 -0.990 10.3-136.6-142.7 122.0 72.7 48.7 44.1 62 61 A N - 0 0 21 6,-2.2 29,-0.1 -2,-0.4 28,-0.1 -0.474 30.5-121.3 -69.5 150.2 71.8 51.6 46.4 63 62 A W S S+ 0 0 0 27,-0.2 310,-2.8 26,-0.1 2,-0.3 0.669 85.4 51.7 -69.3 -20.6 74.6 54.1 46.8 64 63 A Q B > S-N 372 0C 4 25,-0.4 3,-1.7 308,-0.3 -2,-0.1 -0.796 91.7 -93.8-125.9 166.4 75.0 53.8 50.6 65 64 A S T 3 S+ 0 0 0 306,-1.5 -3,-0.1 -2,-0.3 -1,-0.0 0.759 115.7 42.4 -36.9 -50.8 75.5 51.2 53.4 66 65 A W T 3 S+ 0 0 27 320,-0.1 -1,-0.3 2,-0.1 319,-0.1 0.613 92.9 99.3 -85.5 -12.5 71.9 50.6 54.4 67 66 A G S < S- 0 0 3 -3,-1.7 -5,-0.1 319,-0.1 333,-0.1 -0.392 78.3 -94.2 -82.1 154.2 70.4 50.4 51.0 68 67 A P - 0 0 21 0, 0.0 -6,-2.2 0, 0.0 2,-0.4 -0.243 22.5-166.1 -68.8 147.9 69.5 47.3 49.2 69 68 A C E +J 61 0B 0 -8,-0.2 2,-0.3 34,-0.0 -8,-0.2 -0.963 41.2 135.8-126.9 111.2 71.6 45.4 46.7 70 69 A R E -J 60 0B 81 -10,-1.7 -10,-2.4 -2,-0.4 2,-0.3 -0.991 58.3 -93.3-157.3 159.1 69.2 43.0 45.1 71 70 A V E +J 59 0B 26 422,-0.4 2,-0.3 -2,-0.3 -12,-0.2 -0.642 46.8 179.7 -83.1 138.2 68.0 41.3 41.9 72 71 A V E -J 58 0B 32 -14,-2.3 -14,-2.2 -2,-0.3 2,-0.8 -0.975 36.8-111.3-141.9 139.4 65.0 43.1 40.4 73 72 A D E > -J 57 0B 58 -2,-0.3 3,-0.6 -16,-0.2 -16,-0.2 -0.711 29.6-156.8 -74.3 111.8 62.7 42.7 37.4 74 73 A A G > S+ 0 0 6 -18,-2.6 3,-0.5 -2,-0.8 27,-0.2 0.740 84.8 51.0 -60.2 -30.8 63.6 45.7 35.3 75 74 A F G 3 S+ 0 0 105 -19,-0.5 -1,-0.2 1,-0.2 -18,-0.1 0.667 105.4 52.0 -93.9 -15.6 60.4 45.8 33.4 76 75 A S G < S+ 0 0 82 -3,-0.6 2,-0.4 2,-0.0 -1,-0.2 -0.142 76.9 140.5-110.8 41.2 57.8 45.7 36.2 77 76 A F < - 0 0 63 -3,-0.5 24,-0.1 -5,-0.1 -3,-0.0 -0.669 27.5-175.1 -80.0 130.7 59.3 48.6 38.3 78 77 A K - 0 0 97 -2,-0.4 21,-0.1 22,-0.1 22,-0.1 -0.977 36.3 -99.5-119.4 138.2 57.0 51.0 40.0 79 78 A P - 0 0 68 0, 0.0 19,-0.1 0, 0.0 2,-0.1 -0.317 35.4-128.6 -55.2 133.1 58.4 54.1 41.8 80 79 A P - 0 0 61 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.432 22.5-110.7 -76.2 156.2 58.6 53.8 45.6 81 80 A E - 0 0 132 -2,-0.1 2,-0.6 1,-0.0 17,-0.0 -0.788 38.3-131.9 -81.3 128.7 57.1 56.5 47.9 82 81 A I - 0 0 27 -2,-0.5 5,-0.1 12,-0.0 16,-0.0 -0.785 10.0-125.7 -93.3 121.4 60.2 58.2 49.4 83 82 A D > - 0 0 78 -2,-0.6 3,-1.7 3,-0.2 7,-0.2 -0.509 17.1-147.3 -57.7 117.4 60.1 58.7 53.2 84 83 A P G > S+ 0 0 93 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.695 96.6 61.2 -71.4 -17.2 60.7 62.4 53.5 85 84 A N G 3 S+ 0 0 56 1,-0.2 205,-2.2 204,-0.1 3,-0.1 0.662 119.3 28.0 -73.1 -15.4 62.6 61.8 56.8 86 85 A W G X> S+ 0 0 63 -3,-1.7 4,-1.0 203,-0.2 3,-0.9 -0.170 77.4 140.5-140.0 35.7 65.1 59.7 54.8 87 86 A R H X> S+ 0 0 71 -3,-0.5 4,-1.2 1,-0.2 3,-0.8 0.913 72.4 45.4 -52.2 -50.3 65.0 61.1 51.3 88 87 A Y H 34 S+ 0 0 22 200,-0.5 -1,-0.2 1,-0.2 201,-0.1 0.570 99.5 66.3 -85.3 -4.1 68.7 60.9 50.5 89 88 A T H <4 S+ 0 0 21 -3,-0.9 -25,-0.4 1,-0.1 -1,-0.2 0.827 104.9 47.9 -73.9 -30.3 69.3 57.4 51.8 90 89 A A H << S- 0 0 29 -4,-1.0 2,-0.3 -3,-0.8 -27,-0.2 0.878 133.3 -16.2 -74.5 -42.3 67.1 56.2 49.0 91 90 A S < - 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