==== 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 02-MAY-06 2GVH . COMPND 2 MOLECULE: AGR_L_2016P; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 748 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 285 38.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 63 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 3 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 11 6 0 0 4 5 3 0 0 0 12 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 0 0 3 2 1 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 9 A K 0 0 118 0, 0.0 126,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 120.5 41.8 -13.1 7.0 2 10 A P - 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.539 360.0 -81.4 -75.8 159.1 44.8 -14.8 8.7 3 11 A A - 0 0 37 -2,-0.2 2,-0.4 123,-0.1 125,-0.2 -0.145 47.1-143.8 -62.6 156.8 46.0 -13.2 12.0 4 12 A Q E -a 128 0A 72 123,-2.7 125,-3.3 -3,-0.1 2,-0.2 -0.982 9.3-122.3-133.6 142.8 48.2 -10.1 12.0 5 13 A H E -a 129 0A 115 -2,-0.4 2,-0.9 123,-0.2 125,-0.2 -0.521 35.2-111.9 -79.0 141.0 51.1 -8.8 14.1 6 14 A G - 0 0 12 123,-2.1 125,-0.4 -2,-0.2 2,-0.1 -0.658 38.1-161.9 -79.2 102.9 50.7 -5.4 15.7 7 15 A A - 0 0 60 -2,-0.9 2,-0.5 35,-0.1 39,-0.1 -0.409 15.9-121.4 -82.1 156.8 53.1 -3.0 14.0 8 16 A T - 0 0 58 68,-0.1 2,-0.5 -2,-0.1 68,-0.2 -0.896 22.7-160.6-100.0 128.3 54.2 0.4 15.4 9 17 A T E -B 75 0B 3 66,-2.4 66,-2.4 -2,-0.5 2,-0.4 -0.923 6.6-159.8-109.1 133.9 53.5 3.5 13.3 10 18 A R E -B 74 0B 98 -2,-0.5 131,-3.0 64,-0.2 2,-0.4 -0.929 11.6-176.8-122.2 135.1 55.4 6.7 13.8 11 19 A L E -B 73 0B 2 62,-2.6 62,-3.1 -2,-0.4 2,-0.4 -0.998 13.3-161.2-129.7 128.6 54.5 10.2 12.9 12 20 A I E +B 72 0B 3 -2,-0.4 2,-0.3 129,-0.3 60,-0.2 -0.945 10.9 179.4-124.2 135.1 57.0 13.0 13.6 13 21 A D E -B 71 0B 30 58,-2.6 58,-3.2 -2,-0.4 2,-0.5 -0.984 18.2-139.0-129.5 144.9 56.6 16.8 13.8 14 22 A I E -B 70 0B 11 -2,-0.3 2,-0.6 56,-0.2 56,-0.2 -0.878 7.4-165.6-106.5 130.6 59.1 19.6 14.5 15 23 A V E -B 69 0B 0 54,-3.2 54,-2.4 -2,-0.5 81,-0.2 -0.959 24.0-141.3-110.1 112.4 58.4 22.6 16.7 16 24 A F > - 0 0 18 -2,-0.6 3,-2.1 52,-0.2 7,-0.2 -0.347 28.5 -87.9 -73.0 151.8 61.2 25.1 16.1 17 25 A P T 3 S+ 0 0 43 0, 0.0 50,-0.2 0, 0.0 -1,-0.1 -0.351 114.6 13.5 -58.1 130.2 62.7 27.3 18.9 18 26 A G T 3 S+ 0 0 48 48,-0.9 2,-1.6 1,-0.2 3,-0.2 0.343 84.6 129.4 85.5 -7.3 60.7 30.4 19.3 19 27 A D <> + 0 0 16 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.598 28.3 172.9 -80.6 84.7 57.6 29.3 17.3 20 28 A T H > S+ 0 0 55 -2,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.760 71.3 55.9 -67.9 -27.8 55.0 30.2 19.9 21 29 A N H > S+ 0 0 16 2,-0.2 4,-1.4 -3,-0.2 5,-0.2 0.958 112.7 39.1 -67.8 -52.7 52.0 29.4 17.6 22 30 A H H > S+ 0 0 33 2,-0.2 4,-3.5 1,-0.2 3,-0.4 0.932 117.9 50.7 -62.3 -45.1 53.0 25.9 16.8 23 31 A H H X S+ 0 0 26 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.947 111.2 48.7 -54.6 -49.9 54.2 25.3 20.4 24 32 A G H < S+ 0 0 27 -4,-2.2 5,-0.3 1,-0.2 -1,-0.2 0.691 120.1 36.4 -68.4 -23.9 50.9 26.6 21.7 25 33 A T H <>S+ 0 0 47 -4,-1.4 5,-1.8 -3,-0.4 6,-1.3 0.779 115.8 51.3 -95.5 -36.6 48.8 24.5 19.4 26 34 A L H <5S+ 0 0 0 -4,-3.5 2,-1.7 1,-0.3 5,-0.3 0.927 109.2 50.3 -73.6 -42.9 50.9 21.3 19.4 27 35 A F T <5S+ 0 0 7 -4,-2.6 660,-0.4 -5,-0.4 -1,-0.3 -0.546 127.8 26.0 -87.2 68.3 51.1 21.2 23.1 28 36 A G T >5S- 0 0 5 -2,-1.7 4,-1.8 -3,-0.5 3,-0.2 -0.891 129.4 -12.6 167.2-146.4 47.3 21.6 22.9 29 37 A G H >5S+ 0 0 10 -2,-0.3 4,-2.3 1,-0.3 638,-0.2 0.815 128.8 53.1 -60.7 -39.3 44.6 20.8 20.4 30 38 A T H > S+ 0 0 0 -6,-1.3 4,-2.5 -5,-0.3 -1,-0.2 0.934 108.2 50.3 -47.3 -48.9 48.9 17.5 19.6 32 40 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.953 107.8 51.8 -51.7 -52.9 45.6 15.9 20.1 33 41 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 630,-0.2 -1,-0.2 0.848 109.5 50.2 -57.1 -38.4 44.8 15.9 16.4 34 42 A L H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.905 106.2 54.3 -67.7 -41.9 48.2 14.3 15.6 35 43 A X H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.943 112.5 45.9 -57.5 -44.1 47.7 11.5 18.2 36 44 A D H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.928 109.5 54.1 -63.0 -45.2 44.4 10.7 16.4 37 45 A R H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.895 110.7 44.7 -57.8 -43.6 45.9 10.9 12.9 38 46 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.873 112.3 52.8 -71.2 -34.2 48.6 8.3 13.7 39 47 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.913 108.7 51.2 -60.9 -43.0 46.1 6.1 15.5 40 48 A F H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.920 110.3 48.3 -63.3 -46.2 44.0 6.3 12.3 41 49 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.950 110.9 49.9 -57.0 -50.6 46.9 5.3 10.2 42 50 A A H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.943 113.0 47.5 -56.0 -51.4 47.8 2.4 12.4 43 51 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.914 111.5 49.3 -51.8 -50.3 44.1 1.2 12.4 44 52 A T H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.3 5,-0.3 0.875 110.5 50.5 -67.1 -36.7 43.8 1.5 8.6 45 53 A R H < S+ 0 0 40 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.810 114.1 47.2 -63.3 -33.7 47.1 -0.4 8.1 46 54 A F H < S+ 0 0 7 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.955 125.9 23.4 -75.4 -50.1 45.8 -3.1 10.4 47 55 A G H < S- 0 0 6 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.530 86.9-141.3-101.9 -8.3 42.3 -3.6 9.1 48 56 A R < + 0 0 76 -4,-1.9 -3,-0.1 -5,-0.4 -4,-0.1 0.896 69.3 93.5 47.8 53.4 42.8 -2.4 5.5 49 57 A T S S- 0 0 10 -5,-0.3 -2,-0.2 -6,-0.1 -1,-0.2 -0.957 87.5 -69.6-161.6 160.6 39.3 -0.7 5.6 50 58 A P - 0 0 29 0, 0.0 64,-2.6 0, 0.0 2,-0.3 -0.375 52.0-165.9 -63.7 146.4 37.8 2.7 6.5 51 59 A F E -C 113 0B 1 62,-0.3 2,-0.3 63,-0.0 62,-0.2 -0.976 12.7-168.4-131.4 145.4 37.9 3.8 10.2 52 60 A V E -C 112 0B 29 60,-2.3 60,-2.1 -2,-0.3 2,-0.8 -0.860 32.8-108.6-119.6 167.0 36.4 6.4 12.4 53 61 A T E +C 111 0B 12 -2,-0.3 58,-0.2 58,-0.2 3,-0.1 -0.847 32.7 175.9 -93.5 111.5 37.2 7.5 15.9 54 62 A A E - 0 0 32 56,-2.2 641,-2.9 -2,-0.8 2,-0.3 0.857 65.9 -9.7 -81.0 -37.9 34.4 6.3 18.1 55 63 A S E -CD 110 694B 5 55,-1.5 55,-2.8 639,-0.2 2,-0.4 -0.999 48.4-147.5-165.4 165.6 36.1 7.5 21.2 56 64 A C E -CD 109 693B 2 637,-2.3 637,-2.7 -2,-0.3 53,-0.2 -0.996 24.9-133.6-141.3 118.5 39.1 8.8 22.9 57 65 A E - 0 0 72 51,-2.7 51,-0.2 -2,-0.4 633,-0.1 -0.266 45.2 -70.2 -75.8 164.2 40.0 8.0 26.5 58 66 A R - 0 0 108 49,-0.1 2,-0.4 1,-0.1 633,-0.2 -0.197 52.5-161.3 -57.4 142.9 41.1 10.7 29.0 59 67 A I E -G 690 0C 1 631,-2.5 631,-2.8 -3,-0.1 2,-0.4 -0.986 10.4-148.3-129.7 134.8 44.5 12.2 28.4 60 68 A D E -G 689 0C 94 46,-0.4 2,-0.4 -2,-0.4 629,-0.3 -0.879 17.0-159.4 -98.3 138.2 46.9 14.2 30.7 61 69 A F - 0 0 16 627,-3.4 2,-0.4 -2,-0.4 -34,-0.0 -0.928 9.8-166.5-115.5 139.6 49.1 16.9 29.2 62 70 A R - 0 0 61 -2,-0.4 43,-0.1 627,-0.0 626,-0.1 -0.993 18.4-138.9-119.0 133.3 52.3 18.5 30.4 63 71 A Q - 0 0 55 -2,-0.4 3,-0.1 40,-0.1 2,-0.0 -0.801 18.9-152.1 -88.0 121.8 53.6 21.6 28.8 64 72 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 39,-0.0 -0.220 38.1 -68.4 -77.0-179.5 57.3 21.6 28.4 65 73 A A - 0 0 78 1,-0.1 2,-0.1 3,-0.1 37,-0.0 -0.382 55.0-100.3 -66.5 152.5 59.5 24.8 28.3 66 74 A R S S+ 0 0 59 -3,-0.1 -48,-0.9 -2,-0.1 -1,-0.1 0.268 87.7 111.8 -65.6 12.0 59.0 27.1 25.2 67 75 A I S S- 0 0 49 -50,-0.2 2,-0.3 1,-0.1 -48,-0.1 0.219 76.7 -74.9 -64.1-165.1 62.2 25.7 23.5 68 76 A G - 0 0 4 -51,-0.1 28,-2.1 -50,-0.1 2,-0.4 -0.788 48.3-171.8-103.9 147.9 62.2 23.6 20.3 69 77 A H E -BE 15 95B 3 -54,-2.4 -54,-3.2 -2,-0.3 2,-0.6 -0.990 30.1-140.9-141.0 139.7 61.3 19.9 20.0 70 78 A I E -BE 14 94B 9 24,-2.4 24,-2.4 -2,-0.4 2,-0.5 -0.908 36.0-157.5 -86.7 124.9 61.2 17.0 17.7 71 79 A V E -BE 13 93B 0 -58,-3.2 -58,-2.6 -2,-0.6 2,-0.5 -0.920 7.5-162.3-115.8 124.4 57.9 15.4 18.6 72 80 A E E -BE 12 92B 27 20,-3.1 20,-2.6 -2,-0.5 2,-0.6 -0.890 4.8-164.9-112.5 129.9 57.1 11.7 17.9 73 81 A F E -BE 11 91B 0 -62,-3.1 -62,-2.6 -2,-0.5 2,-0.4 -0.964 12.9-174.2-114.1 114.1 53.7 10.1 17.8 74 82 A T E -BE 10 90B 27 16,-2.4 16,-2.1 -2,-0.6 2,-0.4 -0.887 3.5-168.2-112.0 138.6 53.7 6.4 18.0 75 83 A A E +BE 9 89B 0 -66,-2.4 -66,-2.4 -2,-0.4 14,-0.2 -0.997 8.3 174.7-131.2 134.0 50.6 4.1 17.6 76 84 A R E - 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