==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T1O . COMPND 2 MOLECULE: GLIDING PROTEIN MGLA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.MIERTZSCHKE,I.R.VETTER,C.KOERNER,A.WITTINGHOFER . 381 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 4 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 . 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 . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 0 2 0 2 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 0 2 0 2 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 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 2 A S 0 0 93 0, 0.0 11,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -8.1 6.5 20.0 0.7 2 3 A T E -A 11 0A 85 9,-0.5 9,-3.0 92,-0.1 2,-0.4 -0.388 360.0-155.2 -81.7 141.6 9.7 22.1 0.4 3 4 A I E -A 10 0A 102 7,-0.2 2,-0.5 -2,-0.1 7,-0.2 -0.956 7.4-165.9-112.3 133.1 11.9 22.8 -2.6 4 5 A N E >> -A 9 0A 51 5,-2.9 5,-2.0 -2,-0.4 4,-0.9 -0.854 10.3-179.8-127.4 94.8 15.6 23.8 -2.0 5 6 A F T 45S+ 0 0 160 -2,-0.5 -1,-0.1 3,-0.2 5,-0.0 0.821 76.1 64.6 -61.8 -35.2 17.4 25.2 -5.0 6 7 A A T 45S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.922 117.1 21.6 -60.0 -55.6 20.7 25.7 -3.1 7 8 A N T 45S- 0 0 115 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.452 110.7-114.8 -92.1 -0.5 21.6 22.0 -2.4 8 9 A R T <5 + 0 0 144 -4,-0.9 62,-2.2 1,-0.2 2,-0.3 0.988 68.2 132.7 60.8 67.9 19.3 20.8 -5.2 9 10 A E E < -Ab 4 70A 18 -5,-2.0 -5,-2.9 60,-0.2 2,-0.4 -0.999 50.4-148.6-146.9 139.8 16.7 18.9 -3.1 10 11 A I E -Ab 3 71A 26 60,-3.0 62,-3.0 -2,-0.3 2,-0.4 -0.941 28.2-147.5-106.5 143.4 13.0 18.4 -2.6 11 12 A N E -Ab 2 72A 19 -9,-3.0 -9,-0.5 -2,-0.4 2,-0.4 -0.903 13.0-169.4-119.7 129.0 12.1 17.7 1.0 12 13 A F E - b 0 73A 10 60,-2.5 62,-2.9 -2,-0.4 2,-0.6 -0.963 14.0-142.0-119.4 144.1 9.3 15.5 2.3 13 14 A K E - b 0 74A 36 -2,-0.4 83,-2.8 81,-0.4 84,-1.7 -0.879 14.6-173.1-107.4 122.1 8.1 15.3 5.9 14 15 A I E -cb 97 75A 0 60,-3.4 62,-2.3 -2,-0.6 2,-0.4 -0.956 7.8-160.2-115.7 121.1 7.0 11.9 7.3 15 16 A V E -cb 98 76A 0 82,-2.6 84,-2.9 -2,-0.5 2,-0.7 -0.848 9.5-151.4-106.9 130.1 5.5 11.9 10.8 16 17 A Y E +cb 99 77A 1 60,-2.6 62,-0.6 -2,-0.4 2,-0.3 -0.941 29.2 175.8 -94.1 116.1 5.3 8.7 12.9 17 18 A Y E +c 100 0A 5 82,-2.7 84,-2.5 -2,-0.7 99,-0.0 -0.826 15.6 109.5-118.9 157.2 2.2 9.3 15.1 18 19 A G - 0 0 8 -2,-0.3 84,-0.2 82,-0.2 3,-0.1 -0.889 65.9 -46.1 155.6 174.1 0.6 6.9 17.6 19 20 A P S > S- 0 0 8 0, 0.0 3,-1.5 0, 0.0 5,-0.3 -0.160 76.3 -76.9 -65.4 165.6 -0.1 6.3 21.3 20 21 A G T 3 S+ 0 0 10 1,-0.3 61,-0.2 2,-0.1 95,-0.0 -0.275 116.8 11.6 -60.6 141.1 2.8 6.7 23.8 21 22 A L T 3 S+ 0 0 113 59,-0.1 -1,-0.3 -3,-0.1 60,-0.1 0.694 84.1 130.4 66.1 17.8 5.2 3.8 23.8 22 23 A S S < S- 0 0 0 -3,-1.5 82,-0.2 58,-0.1 -2,-0.1 0.719 87.1 -89.6 -74.5 -16.3 3.8 2.2 20.6 23 24 A G S > S+ 0 0 9 -4,-0.2 4,-2.1 -5,-0.1 5,-0.1 0.563 84.1 132.3 118.7 15.4 7.2 1.8 19.0 24 25 A K H > S+ 0 0 7 -5,-0.3 4,-2.6 2,-0.2 5,-0.2 0.942 77.2 45.5 -64.1 -53.0 7.7 5.2 17.1 25 26 A T H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.938 111.8 54.3 -50.2 -52.2 11.3 5.8 18.4 26 27 A T H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.864 107.2 48.8 -56.4 -41.9 12.1 2.2 17.6 27 28 A N H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.969 114.2 47.3 -57.3 -53.4 10.9 2.5 13.9 28 29 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.875 113.6 47.1 -56.9 -43.8 13.0 5.8 13.6 29 30 A K H X S+ 0 0 111 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.844 110.2 51.2 -74.5 -35.0 16.1 4.2 15.1 30 31 A W H X S+ 0 0 72 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.961 114.5 45.1 -60.0 -49.4 15.9 1.0 13.0 31 32 A I H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.2 4,-0.2 0.949 111.7 51.3 -57.3 -48.7 15.6 3.1 9.9 32 33 A Y H >< S+ 0 0 34 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.844 104.0 59.8 -64.0 -31.5 18.4 5.5 11.0 33 34 A S H 3< S+ 0 0 70 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.688 105.7 47.0 -68.4 -19.6 20.7 2.5 11.7 34 35 A K T << S+ 0 0 122 -3,-1.7 -1,-0.2 -4,-0.8 -2,-0.2 0.136 89.1 95.8-106.4 6.7 20.5 1.2 8.0 35 36 A V S < S- 0 0 13 -3,-1.1 5,-0.1 -4,-0.2 2,-0.0 -0.929 83.1-113.8 -97.0 129.6 21.2 4.5 6.3 36 37 A P > - 0 0 69 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.302 25.8-113.8 -58.2 148.4 24.9 5.1 5.4 37 38 A E G > S+ 0 0 138 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.863 113.9 56.5 -51.9 -42.6 26.6 7.9 7.3 38 39 A G G 3 S+ 0 0 78 1,-0.3 -1,-0.3 20,-0.0 3,-0.0 0.554 105.9 51.1 -71.8 -10.1 27.0 10.0 4.2 39 40 A R G < S+ 0 0 82 -3,-2.2 20,-2.5 2,-0.1 2,-0.4 0.339 103.5 61.8-110.7 8.6 23.3 10.0 3.4 40 41 A K B < -D 58 0A 28 -3,-1.5 18,-0.2 -4,-0.3 3,-0.1 -0.980 63.4-140.6-133.6 149.3 21.9 11.1 6.7 41 42 A G - 0 0 24 16,-2.4 2,-0.2 -2,-0.4 -2,-0.1 -0.010 51.5 -63.1 -78.0-165.4 22.0 14.1 9.0 42 43 A E - 0 0 145 14,-0.1 2,-0.5 1,-0.0 15,-0.3 -0.575 43.7-120.9 -81.2 148.6 22.1 13.8 12.8 43 44 A M - 0 0 44 -2,-0.2 2,-0.4 13,-0.1 13,-0.2 -0.830 38.5-163.6 -85.6 128.4 19.3 12.3 14.8 44 45 A V E -E 55 0A 46 11,-2.7 11,-2.3 -2,-0.5 2,-0.4 -0.943 16.2-167.2-124.0 135.8 18.1 15.1 17.1 45 46 A S E -E 54 0A 69 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.991 3.6-171.7-125.2 122.7 16.0 14.9 20.2 46 47 A L E +E 53 0A 102 7,-2.4 7,-2.4 -2,-0.4 2,-0.3 -0.982 19.0 170.8-113.7 128.3 14.5 18.1 21.8 47 48 A A E -E 52 0A 67 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.980 25.7-176.9-139.6 146.3 12.9 17.7 25.1 48 49 A T - 0 0 94 3,-3.3 -2,-0.0 -2,-0.3 0, 0.0 -0.589 56.1 -86.0-109.9-170.4 11.4 19.6 28.1 49 50 A E S S+ 0 0 197 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.816 128.7 25.9 -60.1 -35.2 10.0 17.9 31.3 50 51 A D S S+ 0 0 55 1,-0.1 33,-0.8 33,-0.0 34,-0.4 0.658 121.6 50.2-106.2 -19.5 6.7 17.3 29.7 51 52 A E - 0 0 40 32,-0.1 -3,-3.3 31,-0.1 2,-0.3 -0.944 50.7-179.2-132.2 150.3 7.4 17.2 26.0 52 53 A R E -E 47 0A 107 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.977 6.2-174.8-143.7 151.9 9.7 15.6 23.4 53 54 A T E -E 46 0A 28 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.984 7.2-171.8-140.2 145.4 10.3 15.6 19.6 54 55 A L E +EF 45 77A 7 23,-2.6 23,-2.4 -2,-0.3 2,-0.3 -0.997 17.0 155.6-137.7 136.4 12.8 13.4 17.7 55 56 A F E +EF 44 76A 44 -11,-2.3 -11,-2.7 -2,-0.4 2,-0.3 -0.995 17.0 177.6-158.0 153.0 13.7 13.7 14.1 56 57 A F E - F 0 75A 1 19,-2.0 19,-3.2 -2,-0.3 2,-0.3 -0.953 17.2-141.2-145.8 169.8 16.3 13.1 11.4 57 58 A D E + F 0 74A 41 -15,-0.3 -16,-2.4 -2,-0.3 2,-0.3 -0.947 22.9 168.6-128.7 150.3 16.6 13.6 7.6 58 59 A F E -DF 40 73A 12 15,-2.4 15,-3.2 -2,-0.3 -18,-0.2 -0.980 37.9-116.6-156.1 160.2 18.2 11.3 5.0 59 60 A L - 0 0 20 -20,-2.5 13,-0.2 -2,-0.3 -2,-0.0 -0.910 38.5-133.7-103.2 107.0 18.5 10.9 1.2 60 61 A P - 0 0 10 0, 0.0 3,-0.5 0, 0.0 11,-0.2 -0.275 2.7-143.0 -61.9 147.6 16.8 7.6 0.4 61 62 A L S S+ 0 0 112 1,-0.2 -2,-0.0 0, 0.0 -26,-0.0 0.477 91.0 71.1 -93.0 3.6 18.9 5.5 -1.9 62 63 A D S S+ 0 0 120 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.334 81.7 92.8 -95.7 4.1 15.7 4.2 -3.7 63 64 A I - 0 0 56 -3,-0.5 8,-0.2 8,-0.1 3,-0.0 -0.878 63.1-130.9-126.6 131.2 14.8 7.4 -5.6 64 65 A G - 0 0 53 -2,-0.4 2,-0.7 1,-0.1 7,-0.1 -0.178 33.0-101.3 -69.9 161.1 15.4 9.0 -8.9 65 66 A E - 0 0 113 5,-0.1 2,-2.0 1,-0.1 3,-0.2 -0.759 24.8-146.4 -85.0 114.0 16.5 12.6 -9.7 66 67 A V S S- 0 0 72 3,-1.8 3,-0.3 -2,-0.7 -1,-0.1 -0.516 83.3 -36.1 -80.8 72.0 13.5 14.6 -10.7 67 68 A K S S- 0 0 195 -2,-2.0 -1,-0.2 1,-0.2 3,-0.1 0.892 125.0 -38.7 77.2 48.4 15.5 16.8 -13.1 68 69 A G S S+ 0 0 34 1,-0.2 2,-0.5 -3,-0.2 -1,-0.2 0.135 113.8 121.6 92.8 -18.9 18.8 17.1 -11.2 69 70 A F - 0 0 37 -3,-0.3 -3,-1.8 -60,-0.1 -60,-0.2 -0.689 51.5-148.9 -88.1 119.0 16.8 17.3 -7.9 70 71 A K E -b 9 0A 87 -62,-2.2 -60,-3.0 -2,-0.5 2,-0.5 -0.442 16.0-120.4 -79.2 156.2 17.4 14.8 -5.2 71 72 A T E -b 10 0A 7 -62,-0.2 2,-0.4 -8,-0.2 -60,-0.2 -0.869 24.6-169.9 -98.5 129.9 14.8 13.6 -2.7 72 73 A R E -b 11 0A 41 -62,-3.0 -60,-2.5 -2,-0.5 2,-0.4 -0.964 8.3-153.6-117.3 125.4 15.4 14.1 1.1 73 74 A F E -bF 12 58A 2 -15,-3.2 -15,-2.4 -2,-0.4 2,-0.5 -0.891 3.2-161.0 -99.9 136.6 13.0 12.5 3.6 74 75 A H E -bF 13 57A 41 -62,-2.9 -60,-3.4 -2,-0.4 2,-0.5 -0.982 8.1-159.7-116.0 116.0 12.7 14.1 7.1 75 76 A L E +bF 14 56A 0 -19,-3.2 -19,-2.0 -2,-0.5 2,-0.3 -0.916 13.5 179.2-103.0 128.2 11.2 11.7 9.7 76 77 A Y E +bF 15 55A 52 -62,-2.3 -60,-2.6 -2,-0.5 2,-0.3 -0.967 5.6 165.4-130.1 148.0 9.6 13.3 12.8 77 78 A T E -bF 16 54A 0 -23,-2.4 -23,-2.6 -2,-0.3 -60,-0.1 -0.978 35.8-131.7-157.9 153.7 8.0 11.8 15.9 78 79 A V - 0 0 9 -62,-0.6 -25,-0.2 -2,-0.3 -60,-0.1 -0.939 40.9-164.8-106.3 100.2 6.8 12.7 19.4 79 80 A P + 0 0 3 0, 0.0 -27,-0.2 0, 0.0 -59,-0.1 -0.415 39.1 24.7 -86.6 159.3 8.2 9.9 21.5 80 81 A G S S- 0 0 13 -61,-0.1 -58,-0.1 -2,-0.1 -59,-0.1 -0.139 103.5 -29.2 93.9 177.2 7.4 8.8 25.0 81 82 A Q - 0 0 135 -61,-0.2 2,-0.5 -60,-0.1 -60,-0.0 -0.440 67.5-126.9 -67.8 150.0 4.3 9.3 27.1 82 83 A V + 0 0 53 1,-0.2 -31,-0.1 -2,-0.1 3,-0.1 -0.880 35.4 166.1-111.0 131.9 2.4 12.4 26.3 83 84 A F S S+ 0 0 119 -33,-0.8 2,-0.3 -2,-0.5 -1,-0.2 0.770 72.5 28.7-107.6 -37.0 1.5 15.0 28.8 84 85 A Y - 0 0 138 -34,-0.4 4,-0.3 1,-0.0 -1,-0.3 -0.893 64.2-138.8-127.9 158.2 0.5 17.9 26.5 85 86 A N S >> S+ 0 0 50 -2,-0.3 4,-2.2 1,-0.2 3,-0.5 0.644 83.0 90.2 -84.3 -18.1 -0.9 18.0 22.9 86 87 A A H 3> S+ 0 0 57 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.883 87.3 46.5 -60.4 -43.8 1.3 21.0 21.8 87 88 A S H 3> S+ 0 0 10 1,-0.2 4,-1.8 -3,-0.2 -1,-0.3 0.856 113.4 50.8 -66.4 -31.5 4.2 18.8 20.4 88 89 A R H <> S+ 0 0 43 -3,-0.5 4,-0.5 -4,-0.3 -2,-0.2 0.854 112.4 45.9 -74.0 -31.7 1.7 16.5 18.6 89 90 A K H < S+ 0 0 78 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.856 115.7 45.2 -73.4 -39.8 -0.0 19.4 16.9 90 91 A L H >< S+ 0 0 97 -4,-2.1 3,-2.0 -5,-0.3 -2,-0.2 0.844 102.7 65.8 -72.5 -33.3 3.2 21.1 15.9 91 92 A I H 3< S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 97.4 57.6 -61.1 -25.3 4.8 17.8 14.7 92 93 A L T >< S+ 0 0 1 -4,-0.5 3,-2.0 -3,-0.4 -1,-0.3 0.494 73.7 122.4 -90.2 -3.8 2.2 17.8 11.9 93 94 A R T < S- 0 0 153 -3,-2.0 -3,-0.0 1,-0.3 30,-0.0 -0.415 90.4 -2.4 -62.2 129.1 3.0 21.1 10.4 94 95 A G T 3 S+ 0 0 46 -2,-0.2 -81,-0.4 1,-0.2 -1,-0.3 0.688 91.9 170.8 66.1 15.8 3.9 20.7 6.7 95 96 A V < - 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