==== 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 03-SEP-06 2I8T . COMPND 2 MOLECULE: GDP-MANNOSE MANNOSYL HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.ZOU,C.LI,J.S.BRUNZELLE,S.K.NAIR . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 2 2 0 0 0 0 2 0 0 2 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 2 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 2 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 112 0, 0.0 54,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -25.9 58.5 60.4 27.0 2 2 A M + 0 0 80 1,-0.4 2,-0.9 52,-0.1 53,-0.4 0.822 360.0 42.3-104.5 -65.6 56.8 63.7 25.8 3 3 A F S S- 0 0 174 51,-0.1 -1,-0.4 52,-0.0 2,-0.1 -0.796 97.8-140.5 -84.3 111.5 54.0 62.6 23.5 4 4 A L - 0 0 16 -2,-0.9 160,-0.0 -3,-0.2 2,-0.0 -0.356 10.7-103.3 -79.9 151.9 52.7 59.7 25.6 5 5 A R > - 0 0 144 1,-0.1 4,-2.7 -2,-0.1 3,-0.5 -0.359 42.1-109.4 -59.7 148.5 51.4 56.3 24.6 6 6 A Q H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 118.9 56.5 -53.2 -40.1 47.6 56.2 24.8 7 7 A E H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.910 111.5 41.9 -58.9 -44.1 47.8 54.0 27.9 8 8 A D H > S+ 0 0 27 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.876 112.4 53.4 -73.4 -37.4 49.9 56.4 29.8 9 9 A F H X S+ 0 0 43 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.907 107.0 53.7 -63.4 -39.8 47.9 59.5 28.6 10 10 A A H X S+ 0 0 21 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.926 109.0 47.6 -60.4 -45.5 44.8 57.8 29.9 11 11 A T H X S+ 0 0 31 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.927 113.1 50.0 -60.8 -43.5 46.3 57.3 33.3 12 12 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.948 111.4 46.3 -58.8 -51.5 47.4 60.9 33.3 13 13 A V H < S+ 0 0 2 -4,-2.9 89,-0.2 1,-0.2 -1,-0.2 0.905 114.9 47.9 -62.8 -41.0 44.0 62.3 32.4 14 14 A R H < S+ 0 0 118 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.858 121.4 35.5 -62.0 -34.6 42.3 60.2 34.9 15 15 A S H < S+ 0 0 6 -4,-1.8 189,-0.6 -5,-0.2 -2,-0.2 0.599 116.6 12.6-104.9 -14.2 44.7 61.1 37.7 16 16 A T S < S- 0 0 0 -4,-2.0 86,-0.3 187,-0.1 187,-0.1 -0.986 79.2 -80.4-160.9 157.3 45.9 64.7 37.5 17 17 A P - 0 0 0 0, 0.0 86,-0.2 0, 0.0 2,-0.2 -0.431 38.2-134.2 -66.4 143.3 45.4 68.1 35.9 18 18 A L E -a 103 0A 2 84,-3.3 86,-2.6 -2,-0.1 2,-0.5 -0.561 15.0-135.9 -82.4 157.5 46.7 68.7 32.4 19 19 A V E +a 104 0A 1 34,-0.4 34,-3.1 84,-0.2 2,-0.3 -0.991 32.0 175.4-115.7 126.9 48.6 72.0 31.8 20 20 A S E -aB 105 52A 2 84,-2.4 86,-2.9 -2,-0.5 2,-0.5 -0.884 30.5-136.8-132.4 163.6 47.7 73.8 28.6 21 21 A L E -aB 106 51A 0 30,-2.6 30,-2.0 -2,-0.3 2,-0.4 -0.984 19.9-161.1-113.5 127.3 48.3 77.0 26.7 22 22 A D E -aB 107 50A 8 84,-2.0 86,-2.3 -2,-0.5 2,-0.5 -0.923 10.1-143.1-108.6 139.1 45.2 78.6 25.1 23 23 A F E -a 108 0A 0 26,-3.0 2,-0.9 -2,-0.4 86,-0.2 -0.912 10.0-162.7-110.5 119.0 45.8 81.1 22.2 24 24 A I E -a 109 0A 0 84,-2.7 86,-2.2 -2,-0.5 2,-0.6 -0.882 26.3-167.8 -96.2 99.8 43.6 84.2 21.9 25 25 A V E -a 110 0A 0 -2,-0.9 8,-2.3 8,-0.4 2,-0.3 -0.857 6.8-169.2-107.1 114.0 44.5 84.9 18.2 26 26 A E E -aC 111 32A 37 84,-2.4 86,-2.9 -2,-0.6 6,-0.2 -0.700 8.3-147.6-100.5 149.9 43.6 88.3 16.7 27 27 A N > - 0 0 2 4,-2.2 3,-1.5 -2,-0.3 86,-0.2 -0.478 40.5 -89.4-102.5-177.6 43.8 89.3 13.0 28 28 A S T 3 S+ 0 0 100 1,-0.3 85,-0.1 84,-0.2 83,-0.0 0.626 125.4 54.3 -70.8 -11.9 44.5 92.8 11.6 29 29 A R T 3 S- 0 0 207 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.375 120.8-102.6 -98.0 -0.1 40.8 93.7 11.6 30 30 A G S < S+ 0 0 26 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.647 78.6 131.3 86.8 14.4 40.3 92.9 15.3 31 31 A E - 0 0 60 100,-0.1 -4,-2.2 101,-0.1 2,-0.3 -0.626 48.0-132.7 -94.9 161.8 38.6 89.5 14.9 32 32 A F E -CD 26 130A 9 98,-2.9 98,-2.8 -6,-0.2 2,-0.4 -0.910 14.7-113.9-124.1 145.7 39.6 86.3 16.7 33 33 A L E + D 0 129A 1 -8,-2.3 -8,-0.4 -2,-0.3 2,-0.4 -0.602 32.6 173.2 -85.1 125.7 40.2 82.7 15.6 34 34 A L E - D 0 128A 0 94,-2.7 94,-2.5 -2,-0.4 2,-0.4 -0.975 13.5-157.0-126.1 143.0 38.0 79.9 16.7 35 35 A G E -ED 47 127A 0 12,-2.8 12,-2.4 -2,-0.4 2,-0.8 -0.922 22.5-121.8-117.0 145.9 38.1 76.3 15.4 36 36 A K E -E 46 0A 77 90,-2.4 89,-2.0 -2,-0.4 90,-0.4 -0.783 39.0-126.4 -89.0 110.1 35.3 73.7 15.5 37 37 A R E - D 0 124A 32 8,-2.7 7,-2.6 -2,-0.8 87,-0.2 -0.314 28.1-176.0 -66.6 133.3 36.7 70.8 17.6 38 38 A T + 0 0 39 85,-2.5 2,-0.3 5,-0.2 86,-0.2 0.537 67.9 65.0 -98.1 -13.4 36.7 67.3 16.2 39 39 A N S S- 0 0 75 84,-0.6 5,-0.1 2,-0.1 55,-0.1 -0.763 87.6 -77.3-110.0 156.6 38.1 65.7 19.4 40 40 A R S S+ 0 0 86 54,-0.4 2,-0.1 -2,-0.3 54,-0.1 -0.568 92.8 57.6 -80.8 154.4 36.8 65.3 22.9 41 41 A P S S+ 0 0 4 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.690 128.9 8.8 -80.2 176.6 36.6 67.1 25.3 42 42 A A S > S- 0 0 6 1,-0.2 3,-1.6 -2,-0.1 -5,-0.3 0.807 91.4-178.3 57.3 32.6 34.4 70.0 24.1 43 43 A Q T 3 + 0 0 93 1,-0.2 -1,-0.2 -5,-0.1 -5,-0.2 -0.382 63.2 15.9 -64.4 134.7 33.8 68.0 20.9 44 44 A G T 3 S+ 0 0 40 -7,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.372 101.1 115.4 84.5 -5.5 31.7 69.9 18.3 45 45 A Y S < S- 0 0 98 -3,-1.6 -8,-2.7 96,-0.0 2,-0.4 -0.677 72.3-114.2 -94.9 151.3 32.2 73.3 20.0 46 46 A W E +Ef 36 141A 13 94,-2.9 96,-2.3 -2,-0.3 2,-0.3 -0.703 50.2 167.2 -77.6 135.3 34.0 76.3 18.6 47 47 A F E -E 35 0A 9 -12,-2.4 -12,-2.8 -2,-0.4 3,-0.1 -0.981 39.6 -97.0-150.8 153.5 37.0 76.9 20.7 48 48 A V - 0 0 2 -2,-0.3 -14,-0.2 -14,-0.2 -24,-0.1 -0.367 52.4 -96.9 -67.2 153.6 40.2 78.9 20.7 49 49 A P + 0 0 0 0, 0.0 -26,-3.0 0, 0.0 2,-0.3 -0.424 67.4 122.1 -67.7 151.1 43.3 77.0 19.5 50 50 A G E -B 22 0A 10 -28,-0.2 2,-0.3 16,-0.1 -28,-0.2 -0.936 30.5-167.3 170.9 172.0 45.5 75.5 22.3 51 51 A G E -B 21 0A 17 -30,-2.0 -30,-2.6 -2,-0.3 2,-0.2 -0.986 29.7 -73.2-170.9 175.2 47.0 72.4 23.7 52 52 A R E -B 20 0A 33 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.3 -0.462 35.1-121.1 -89.7 153.3 48.8 70.7 26.6 53 53 A V - 0 0 0 -34,-3.1 -34,-0.4 -2,-0.2 2,-0.1 -0.701 32.6-135.3 -86.5 135.8 52.4 71.0 27.8 54 54 A Q > - 0 0 16 -2,-0.3 3,-1.9 4,-0.1 111,-0.1 -0.422 32.6 -71.1 -94.3 166.0 54.4 67.8 27.9 55 55 A K T 3 S+ 0 0 9 109,-0.6 -1,-0.1 -53,-0.4 3,-0.1 -0.326 117.1 0.6 -58.2 131.1 56.7 66.2 30.5 56 56 A D T 3 S+ 0 0 72 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.615 98.8 133.6 62.5 19.3 60.0 68.1 30.8 57 57 A E < - 0 0 11 -3,-1.9 -1,-0.2 -55,-0.1 2,-0.1 -0.845 54.1-130.6 -99.0 128.5 59.0 70.6 28.2 58 58 A T > - 0 0 52 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.382 19.2-119.6 -71.7 156.3 59.6 74.3 29.0 59 59 A L H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 116.4 56.9 -63.1 -34.3 56.7 76.7 28.5 60 60 A E H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 17,-0.3 0.918 111.1 41.5 -61.6 -45.7 58.9 78.5 26.0 61 61 A A H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.885 112.8 54.1 -70.4 -39.5 59.3 75.3 24.0 62 62 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.891 104.4 55.4 -61.8 -40.3 55.6 74.3 24.3 63 63 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 12,-0.4 0.907 111.1 44.5 -60.1 -42.6 54.5 77.7 23.0 64 64 A E H X S+ 0 0 80 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.914 115.6 46.4 -68.8 -43.9 56.6 77.2 19.8 65 65 A R H X S+ 0 0 75 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.920 116.4 45.2 -63.2 -43.4 55.5 73.6 19.4 66 66 A L H X S+ 0 0 5 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.855 110.1 50.9 -74.9 -38.4 51.8 74.4 20.0 67 67 A T H X>S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 6,-1.1 0.939 114.8 46.4 -63.1 -42.3 51.6 77.6 17.8 68 68 A M H X5S+ 0 0 83 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.948 117.0 43.4 -61.7 -47.0 53.2 75.5 15.0 69 69 A A H <5S+ 0 0 36 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.864 123.6 35.2 -67.6 -37.5 50.8 72.6 15.6 70 70 A E H <5S+ 0 0 6 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.823 134.6 19.4 -87.2 -34.8 47.6 74.7 16.0 71 71 A L H <5S- 0 0 0 -4,-2.7 47,-2.1 -5,-0.3 -3,-0.2 0.511 93.1-120.1-114.4 -12.3 48.2 77.5 13.6 72 72 A G S < - 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0 0 33 -2,-0.3 2,-0.4 -86,-0.2 -9,-0.2 -0.368 22.6-135.2 -88.3 165.6 36.7 63.6 33.4 101 101 A T E - G 0 90A 3 -11,-2.2 -11,-2.8 -9,-0.4 2,-0.4 -0.969 16.1-169.6-121.9 140.7 39.4 65.9 32.0 102 102 A H E - G 0 89A 0 -2,-0.4 -84,-3.3 -86,-0.3 2,-0.4 -0.997 3.3-174.0-132.9 124.3 40.9 68.8 34.0 103 103 A Y E -aG 18 88A 37 -15,-2.7 -15,-2.4 -2,-0.4 2,-0.5 -0.971 18.8-155.6-118.6 138.2 43.1 71.5 32.6 104 104 A V E -aG 19 87A 4 -86,-2.6 -84,-2.4 -2,-0.4 2,-0.4 -0.972 35.0-154.9-102.0 123.4 45.0 74.3 34.3 105 105 A V E -aG 20 86A 0 -19,-2.9 -19,-2.6 -2,-0.5 2,-0.6 -0.864 24.0-159.0-119.0 132.9 45.3 76.8 31.5 106 106 A L E -aG 21 85A 3 -86,-2.9 -84,-2.0 -2,-0.4 2,-0.3 -0.943 23.0-149.2-105.2 115.5 47.7 79.7 30.7 107 107 A G E -a 22 0A 0 -23,-2.7 -24,-3.1 -2,-0.6 2,-0.4 -0.635 15.0-175.6 -85.9 144.2 46.1 82.1 28.2 108 108 A F E -aG 23 82A 16 -86,-2.3 -84,-2.7 -2,-0.3 2,-0.4 -0.989 7.9-157.7-138.7 131.9 48.2 84.0 25.7 109 109 A R E +aG 24 81A 65 -28,-2.3 -28,-2.6 -2,-0.4 2,-0.3 -0.895 22.7 150.4-110.6 138.8 47.0 86.7 23.3 110 110 A F E -a 25 0A 11 -86,-2.2 -84,-2.4 -2,-0.4 2,-0.4 -0.980 37.0-120.4-161.2 155.5 48.7 87.8 20.1 111 111 A R E -a 26 0A 172 -2,-0.3 2,-0.3 -32,-0.2 -84,-0.2 -0.794 29.6-179.7-100.9 140.9 47.9 89.2 16.6 112 112 A V - 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