==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-NOV-07 2VGD . COMPND 2 MOLECULE: ENXYN11A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.VARDAKOU,C.DUMON,J.E.FLINT,J.W.MURRAY,P.CHRISTAKOPOULOS, . 195 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 48.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.5 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 . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 1 3 1 3 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 . 0 0 0 0 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 2 A A 0 0 96 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.5 15.9 -1.4 -16.9 2 3 A Q + 0 0 124 31,-0.1 2,-0.4 36,-0.0 31,-0.2 -0.802 360.0 178.9-109.8 135.9 15.8 -3.7 -13.9 3 4 A T E -A 32 0A 72 29,-1.9 29,-3.1 -2,-0.4 2,-0.4 -0.939 16.8-160.2-129.1 107.6 13.8 -3.5 -10.6 4 5 A a E -A 31 0A 58 -2,-0.4 2,-0.3 27,-0.3 27,-0.3 -0.770 6.6-167.5 -93.8 132.4 14.4 -6.5 -8.3 5 6 A L E +A 30 0A 20 25,-3.0 25,-2.9 -2,-0.4 3,-0.1 -0.869 18.5 178.2-117.4 147.7 11.9 -7.3 -5.6 6 7 A T + 0 0 79 -2,-0.3 22,-0.4 23,-0.2 2,-0.3 0.461 66.9 58.9-126.1 -10.9 12.3 -9.7 -2.6 7 8 A S S S- 0 0 84 23,-0.1 -1,-0.2 20,-0.1 16,-0.1 -0.948 100.7 -77.6-122.5 149.0 9.0 -9.2 -0.8 8 9 A S + 0 0 59 -2,-0.3 2,-0.3 14,-0.3 13,-0.2 -0.057 65.5 150.1 -44.8 131.1 5.4 -9.7 -2.0 9 10 A Q E -F 20 0B 87 11,-2.1 11,-1.9 -4,-0.1 2,-0.3 -0.980 29.7-158.8-161.6 151.0 4.2 -6.9 -4.2 10 11 A T E +F 19 0B 80 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.909 35.3 106.6-126.7 162.7 1.9 -6.0 -7.1 11 12 A G E -F 18 0B 22 7,-1.9 7,-2.6 -2,-0.3 2,-0.4 -0.984 61.4 -62.2 167.8-154.6 1.9 -3.1 -9.5 12 13 A T E -F 17 0B 106 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.973 37.0-179.9-127.4 142.1 2.7 -2.1 -13.1 13 14 A N E > S-F 16 0B 22 3,-3.0 3,-1.8 -2,-0.4 20,-0.1 -0.969 70.0 -18.2-145.2 120.3 6.0 -2.2 -14.9 14 15 A N T 3 S- 0 0 86 -2,-0.4 3,-0.1 1,-0.3 23,-0.1 0.833 129.5 -46.9 51.8 39.9 6.7 -1.1 -18.5 15 16 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.454 120.4 101.8 85.6 3.4 3.0 -1.3 -19.4 16 17 A F E < -F 13 0B 40 -3,-1.8 -3,-3.0 19,-0.2 -1,-0.2 -0.960 68.4-127.3-121.6 135.6 2.4 -4.7 -17.8 17 18 A Y E -FG 12 53B 18 36,-1.6 36,-3.0 -2,-0.4 2,-0.3 -0.469 29.4-165.7 -64.4 147.6 0.8 -5.6 -14.5 18 19 A Y E -FG 11 52B 14 -7,-2.6 -7,-1.9 34,-0.2 2,-0.4 -0.988 14.4-168.5-135.1 151.5 2.8 -7.9 -12.2 19 20 A S E +FG 10 51B 5 32,-2.0 32,-2.6 -2,-0.3 2,-0.4 -0.992 8.7 178.0-130.5 134.9 2.0 -9.9 -9.1 20 21 A F E +FG 9 50B 2 -11,-1.9 -11,-2.1 -2,-0.4 2,-0.4 -0.978 7.8 168.3-137.4 123.9 4.8 -11.5 -7.0 21 22 A W E + G 0 49B 73 28,-2.3 28,-2.5 -2,-0.4 2,-0.3 -1.000 6.5 162.8-137.9 140.3 4.0 -13.4 -3.8 22 23 A K E - G 0 48B 23 -2,-0.4 -14,-0.3 26,-0.2 26,-0.2 -0.977 32.2-126.5-143.4 150.4 6.0 -15.7 -1.4 23 24 A D - 0 0 42 24,-2.0 23,-0.2 -2,-0.3 -15,-0.0 -0.304 52.2 -80.9 -79.8-179.8 5.4 -16.9 2.1 24 25 A S S S+ 0 0 115 -2,-0.1 -1,-0.0 21,-0.1 21,-0.0 0.814 94.3 89.8 -63.5 -42.3 8.2 -16.3 4.6 25 26 A P S S- 0 0 64 0, 0.0 21,-0.6 0, 0.0 22,-0.2 -0.140 85.1 -10.1 -62.6 152.0 11.0 -19.0 4.1 26 27 A G S S- 0 0 39 19,-0.2 2,-0.4 16,-0.1 18,-0.2 0.038 85.0 -64.4 68.0-163.8 13.9 -18.6 1.7 27 28 A T E - B 0 43A 71 16,-2.6 16,-2.1 2,-0.0 2,-0.4 -0.974 31.2-176.0-132.9 136.3 14.6 -16.0 -0.9 28 29 A V E - B 0 42A 0 -2,-0.4 2,-0.7 -22,-0.4 14,-0.2 -0.996 9.4-162.7-127.2 127.5 13.1 -14.9 -4.2 29 30 A N E - B 0 41A 54 12,-2.6 12,-1.0 -2,-0.4 2,-0.8 -0.935 13.1-173.4-104.7 102.6 14.7 -12.3 -6.4 30 31 A F E -AB 5 40A 0 -25,-2.9 -25,-3.0 -2,-0.7 2,-0.6 -0.898 7.8-165.4-102.7 104.2 11.8 -11.3 -8.7 31 32 A a E -AB 4 39A 9 8,-2.6 8,-2.8 -2,-0.8 2,-0.3 -0.867 10.8-147.3-108.6 113.9 13.4 -8.9 -11.2 32 33 A L E -AB 3 38A 4 -29,-3.1 -29,-1.9 -2,-0.6 6,-0.2 -0.594 24.4-176.2 -76.4 130.0 11.2 -6.7 -13.5 33 34 A Q - 0 0 18 4,-2.3 4,-0.1 -2,-0.3 -31,-0.1 -0.610 34.4 -58.6-118.9-179.6 12.8 -6.1 -16.9 34 35 A S S > S- 0 0 73 -2,-0.2 3,-1.8 2,-0.1 -1,-0.2 -0.178 99.9 -14.0 -58.9 152.6 11.9 -4.1 -20.0 35 36 A G T 3 S- 0 0 35 1,-0.3 -19,-0.2 156,-0.1 -2,-0.1 -0.208 131.4 -19.0 59.6-133.9 8.6 -4.6 -21.9 36 37 A G T 3 S+ 0 0 7 156,-0.2 156,-2.3 -21,-0.1 2,-0.3 0.125 107.9 117.2 -91.7 20.0 6.7 -7.8 -20.9 37 38 A R E < + C 0 191A 82 -3,-1.8 -4,-2.3 154,-0.3 2,-0.3 -0.676 31.2 163.2 -98.1 141.9 9.8 -9.5 -19.4 38 39 A Y E -BC 32 190A 0 152,-2.6 152,-2.6 -2,-0.3 2,-0.3 -0.981 17.6-153.2-140.5 156.7 10.6 -10.6 -15.9 39 40 A T E -BC 31 189A 22 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.3 -0.930 11.2-169.5-120.1 156.6 13.2 -12.9 -14.3 40 41 A S E -BC 30 188A 3 148,-2.3 148,-2.0 -2,-0.3 2,-0.3 -0.979 12.4-178.7-136.6 154.1 13.1 -14.9 -11.2 41 42 A N E -BC 29 187A 67 -12,-1.0 -12,-2.6 -2,-0.3 2,-0.3 -0.954 12.6-173.1-144.6 140.2 15.4 -17.0 -9.0 42 43 A W E +BC 28 186A 6 144,-2.6 144,-2.2 -2,-0.3 2,-0.3 -0.962 6.4 178.6-134.0 151.7 14.3 -18.8 -5.9 43 44 A S E -B 27 0A 70 -16,-2.1 -16,-2.6 -2,-0.3 142,-0.2 -0.942 67.7 -6.9-156.4 124.8 16.1 -20.7 -3.1 44 45 A G S S+ 0 0 53 -2,-0.3 141,-0.1 -18,-0.2 -16,-0.1 0.698 88.8 151.6 65.5 21.7 15.0 -22.4 0.1 45 46 A I - 0 0 6 139,-1.1 -19,-0.2 -18,-0.2 139,-0.2 -0.294 44.7-152.8 -81.1 164.4 11.4 -21.2 -0.4 46 47 A N S S- 0 0 48 -21,-0.6 137,-2.4 1,-0.3 2,-0.3 0.801 78.1 -17.1 -94.9 -62.5 8.2 -22.8 0.8 47 48 A N E + H 0 182B 18 135,-0.2 -24,-2.0 -22,-0.2 -1,-0.3 -0.993 67.5 158.8-146.0 137.1 5.8 -21.5 -1.8 48 49 A W E -GH 22 181B 0 133,-1.8 133,-2.0 -2,-0.3 2,-0.3 -0.986 8.9-179.9-150.2 152.7 6.0 -18.5 -4.2 49 50 A V E +GH 21 180B 5 -28,-2.5 -28,-2.3 -2,-0.3 2,-0.3 -0.964 17.5 141.6-153.3 137.9 4.3 -17.5 -7.5 50 51 A G E +GH 20 179B 0 129,-2.0 129,-2.5 -2,-0.3 2,-0.3 -0.988 3.7 128.7-169.6 164.3 4.7 -14.4 -9.7 51 52 A G E -GH 19 178B 0 -32,-2.6 -32,-2.0 -2,-0.3 2,-0.3 -0.980 45.8 -69.5 169.3-175.2 4.9 -13.0 -13.2 52 53 A K E +GH 18 177B 0 125,-0.7 125,-2.8 -2,-0.3 -34,-0.2 -0.784 64.1 91.9-106.4 152.8 3.7 -10.4 -15.6 53 54 A G E -GH 17 176B 1 -36,-3.0 -36,-1.6 -2,-0.3 2,-0.4 -0.719 68.6 -22.4 173.1-121.1 0.4 -9.9 -17.3 54 55 A W E - H 0 175B 26 121,-3.0 121,-2.4 -2,-0.2 3,-0.1 -0.971 32.5-138.6-135.1 138.3 -2.9 -8.0 -16.7 55 56 A Q S S+ 0 0 123 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.832 102.3 37.6 -62.0 -33.5 -4.6 -6.6 -13.7 56 57 A T S S- 0 0 88 118,-0.1 118,-0.2 119,-0.1 -1,-0.2 -0.981 87.3-137.2-125.1 117.3 -7.9 -7.9 -15.0 57 58 A G + 0 0 5 116,-3.0 2,-0.2 -2,-0.5 115,-0.2 -0.266 30.1 162.7 -68.4 157.0 -8.0 -11.3 -16.8 58 59 A S - 0 0 39 2,-0.1 97,-0.0 -4,-0.0 -4,-0.0 -0.857 56.6 -78.1-153.1-171.3 -10.0 -11.9 -20.0 59 60 A R S S+ 0 0 129 -2,-0.2 97,-0.5 96,-0.1 98,-0.1 0.160 79.2 141.3 -85.1 19.2 -10.4 -14.3 -22.9 60 61 A R - 0 0 49 95,-0.1 95,-0.8 1,-0.1 2,-0.5 -0.201 58.1-116.1 -55.7 147.5 -7.3 -12.6 -24.4 61 62 A N E -D 154 0A 64 93,-0.2 134,-1.7 94,-0.1 2,-0.5 -0.805 33.9-156.7 -88.0 130.8 -4.8 -14.9 -26.3 62 63 A I E -DE 153 194A 0 91,-2.2 91,-3.2 -2,-0.5 2,-0.4 -0.946 9.7-166.7-119.3 128.3 -1.5 -14.8 -24.4 63 64 A T E +DE 152 193A 45 130,-3.1 130,-2.4 -2,-0.5 2,-0.3 -0.873 11.7 173.2-112.1 142.2 1.9 -15.5 -25.8 64 65 A Y E +DE 151 192A 2 87,-2.4 87,-2.5 -2,-0.4 2,-0.3 -0.967 6.8 177.5-141.8 163.7 5.1 -16.1 -23.8 65 66 A S E + E 0 191A 65 126,-1.6 126,-2.8 -2,-0.3 2,-0.3 -0.976 29.6 79.1-158.9 161.7 8.7 -17.2 -24.4 66 67 A G E - E 0 190A 43 83,-0.3 2,-0.3 -2,-0.3 124,-0.2 -0.983 68.0 -47.5 140.1-148.6 11.9 -17.7 -22.4 67 68 A S E - E 0 189A 47 122,-2.3 122,-2.7 -2,-0.3 2,-0.4 -0.929 29.8-166.3-133.1 152.6 13.5 -20.2 -20.1 68 69 A F E - 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