==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-APR-08 3CZB . COMPND 2 MOLECULE: PUTATIVE TRANSGLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS; . AUTHOR U.A.RAMAGOPAL,K.CHATTOPADHYAY,R.TORO,S.WASSERMAN,J.FREEMAN,C . 651 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 19.2 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 45 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 3 0 3 1 2 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 0 1 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 . 5 1 3 6 4 4 2 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 4 1 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 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 58 A M 0 0 157 0, 0.0 3,-0.1 0, 0.0 642,-0.1 0.000 360.0 360.0 360.0 135.2 52.6 30.1 37.6 2 59 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 69,-0.1 -0.154 360.0 -76.9 -67.7 173.7 54.8 30.4 40.7 3 60 A A - 0 0 2 67,-0.4 599,-3.1 1,-0.1 7,-0.1 -0.406 48.7-103.2 -83.7 152.4 58.4 31.6 40.6 4 61 A A B -A 601 0A 4 597,-0.2 63,-0.4 1,-0.1 597,-0.2 -0.297 16.3-161.6 -72.3 153.6 61.4 29.4 39.4 5 62 A L S S+ 0 0 81 595,-2.2 60,-0.5 61,-0.1 2,-0.3 0.506 73.8 24.2-103.5 -15.7 63.9 27.8 41.7 6 63 A S S S- 0 0 40 594,-0.5 3,-0.5 58,-0.1 4,-0.3 -0.894 84.7 -97.8-146.3 172.7 66.6 27.2 39.1 7 64 A F S > S+ 0 0 20 -2,-0.3 3,-1.2 1,-0.2 6,-0.2 0.862 117.7 62.8 -66.7 -34.3 67.9 28.3 35.7 8 65 A A T 3 S+ 0 0 87 1,-0.2 -1,-0.2 5,-0.1 6,-0.1 0.866 105.6 45.3 -54.5 -37.3 66.0 25.4 34.0 9 66 A G T 3 S+ 0 0 37 -3,-0.5 2,-0.9 591,-0.1 -1,-0.2 0.487 85.3 110.2 -87.5 -0.5 62.7 26.9 35.1 10 67 A L X - 0 0 8 -3,-1.2 3,-2.0 -4,-0.3 4,-0.5 -0.622 66.7-137.1 -90.0 107.6 63.5 30.4 34.2 11 68 A A T 3 S+ 0 0 48 -2,-0.9 -2,-0.1 1,-0.3 -1,-0.1 -0.410 89.8 20.6 -63.6 130.8 61.4 31.5 31.2 12 69 A G T 3> S+ 0 0 9 -2,-0.1 4,-0.8 259,-0.0 -1,-0.3 0.171 92.0 106.8 99.6 -18.1 63.6 33.4 28.8 13 70 A W T X4 S+ 0 0 5 -3,-2.0 3,-1.5 1,-0.2 -2,-0.1 0.956 77.1 51.7 -59.8 -51.8 66.9 32.0 30.1 14 71 A A T 34 S+ 0 0 69 -4,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.809 115.1 42.7 -56.1 -33.3 67.5 29.8 27.1 15 72 A E T 34 S+ 0 0 158 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.487 90.3 114.6 -94.3 0.4 67.0 32.7 24.7 16 73 A E S << S- 0 0 14 -3,-1.5 2,-1.9 -4,-0.8 3,-0.1 -0.375 78.4-113.7 -71.5 143.0 69.0 35.3 26.7 17 74 A D > - 0 0 85 1,-0.2 4,-2.3 -2,-0.1 3,-0.4 -0.566 35.5-170.2 -72.8 86.9 72.2 36.7 25.3 18 75 A H H > S+ 0 0 10 -2,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.752 79.7 58.0 -58.6 -25.4 74.4 35.1 27.9 19 76 A L H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 107.5 46.4 -65.2 -49.8 77.5 37.1 26.9 20 77 A A H > S+ 0 0 22 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.921 112.8 52.6 -56.2 -44.6 75.6 40.4 27.5 21 78 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.2 0.944 110.6 45.6 -52.4 -53.7 74.4 38.8 30.9 22 79 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.830 112.1 51.4 -65.5 -31.5 77.9 37.9 31.9 23 80 A N H X S+ 0 0 79 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.800 106.1 56.1 -74.8 -25.7 79.2 41.4 30.9 24 81 A A H X S+ 0 0 1 -4,-1.9 4,-0.9 -3,-0.2 -2,-0.2 0.898 108.3 47.0 -70.4 -40.2 76.5 43.0 32.9 25 82 A F H >X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 3,-0.9 0.949 113.2 48.5 -64.7 -48.6 77.7 41.1 36.0 26 83 A R H 3X S+ 0 0 47 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.865 104.8 60.3 -57.9 -38.8 81.3 42.1 35.2 27 84 A A H 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 122.6 20.1 -59.4 -27.9 80.3 45.7 34.7 28 85 A G H X< S+ 0 0 2 -3,-0.9 3,-1.4 -4,-0.9 4,-0.3 0.608 97.0 86.9-120.8 -14.7 79.0 45.9 38.3 29 86 A a H >< S+ 0 0 3 -4,-2.4 3,-2.8 1,-0.3 -3,-0.1 0.880 78.9 68.4 -64.9 -36.9 80.5 43.2 40.5 30 87 A G T 3< S+ 0 0 56 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.682 95.7 58.6 -55.1 -17.5 83.6 45.1 41.5 31 88 A V T < S+ 0 0 43 -3,-1.4 -1,-0.3 234,-0.0 -2,-0.2 0.629 84.9 114.9 -85.6 -12.3 81.4 47.4 43.5 32 89 A S < - 0 0 33 -3,-2.8 233,-0.1 -4,-0.3 -3,-0.0 -0.221 51.3-161.4 -67.2 144.2 80.0 44.6 45.6 33 90 A K + 0 0 205 231,-0.3 -1,-0.1 4,-0.0 5,-0.1 0.826 63.3 97.7 -89.5 -38.6 80.5 44.2 49.4 34 91 A D - 0 0 83 1,-0.1 4,-0.3 3,-0.1 -2,-0.0 -0.169 66.7-144.6 -46.7 135.9 79.7 40.5 49.7 35 92 A P S > S+ 0 0 105 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.768 97.8 57.9 -77.4 -28.7 82.7 38.2 49.7 36 93 A A H > S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 290,-0.1 0.832 106.5 52.3 -70.4 -27.8 81.1 35.3 47.8 37 94 A A H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.668 102.3 61.2 -74.2 -22.8 80.5 37.9 45.1 38 95 A A H > S+ 0 0 58 -4,-0.3 4,-2.6 -3,-0.2 -2,-0.2 0.930 102.0 48.2 -74.4 -47.4 84.2 38.8 45.2 39 96 A R H X S+ 0 0 164 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.944 116.3 44.5 -54.1 -48.6 85.5 35.4 44.2 40 97 A V H X S+ 0 0 1 -4,-1.2 4,-3.0 1,-0.2 5,-0.2 0.916 111.4 52.4 -67.7 -43.0 83.1 35.2 41.3 41 98 A a H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.923 110.6 51.0 -52.6 -44.2 83.8 38.7 40.3 42 99 A G H X S+ 0 0 43 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.910 112.5 43.2 -63.1 -44.5 87.5 37.7 40.3 43 100 A L H X S+ 0 0 65 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.890 111.9 55.0 -69.7 -37.9 87.0 34.6 38.1 44 101 A A H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.938 110.4 44.4 -60.4 -47.4 84.6 36.5 35.8 45 102 A K H < S+ 0 0 120 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.885 115.9 48.3 -69.0 -34.9 87.2 39.2 35.1 46 103 A A H < S+ 0 0 77 -4,-1.8 2,-0.8 -5,-0.2 -2,-0.2 0.929 97.8 73.5 -66.6 -47.7 90.0 36.7 34.7 47 104 A T < + 0 0 55 -4,-2.8 3,-0.2 -5,-0.1 2,-0.2 -0.584 67.8 167.4 -80.9 106.3 88.2 34.3 32.3 48 105 A K + 0 0 153 -2,-0.8 3,-0.1 1,-0.2 -2,-0.0 -0.625 44.8 42.0-114.0 172.6 88.0 35.9 28.9 49 106 A D + 0 0 153 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.643 68.6 155.5 66.3 14.0 87.1 34.9 25.3 50 107 A L - 0 0 49 -3,-0.2 -1,-0.2 4,-0.1 2,-0.1 -0.534 35.4-140.9 -60.0 135.9 84.1 32.8 26.5 51 108 A D > - 0 0 98 -2,-0.2 4,-2.2 -3,-0.1 3,-0.3 -0.279 39.0 -83.9 -81.3-174.7 81.6 32.5 23.6 52 109 A V H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.862 130.8 54.7 -62.3 -34.6 77.9 32.6 24.5 53 110 A S H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.869 110.3 44.9 -67.7 -37.8 77.8 28.9 25.4 54 111 A G H > S+ 0 0 21 -3,-0.3 4,-3.3 2,-0.2 -2,-0.2 0.909 111.2 52.5 -69.9 -44.7 80.7 29.3 27.9 55 112 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.893 109.4 50.0 -59.4 -41.6 79.2 32.5 29.5 56 113 A K H X S+ 0 0 59 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.933 113.3 46.6 -63.5 -43.6 75.9 30.7 29.9 57 114 A A H X S+ 0 0 50 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.889 109.8 53.4 -67.0 -40.4 77.8 27.8 31.6 58 115 A F H >X S+ 0 0 27 -4,-3.3 4,-0.7 1,-0.2 3,-0.5 0.956 110.9 46.3 -58.5 -50.5 79.9 30.1 33.8 59 116 A I H >X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-1.0 0.922 112.3 51.0 -60.1 -43.8 76.8 31.8 35.1 60 117 A E H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.760 111.6 46.7 -66.5 -22.8 75.0 28.5 35.7 61 118 A A H << S+ 0 0 68 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.546 120.1 37.2 -96.6 -4.7 77.9 27.0 37.6 62 119 A N H << S+ 0 0 23 -3,-1.0 264,-2.7 -4,-0.7 2,-0.3 0.432 109.3 57.8-127.6 -8.6 78.5 30.0 39.9 63 120 A F E < -B 325 0B 7 -4,-1.3 2,-0.3 262,-0.3 260,-0.1 -0.911 56.5-148.5-131.1 157.8 75.0 31.4 40.7 64 121 A R E -B 324 0B 140 260,-2.3 260,-2.4 -2,-0.3 2,-0.6 -0.910 24.8-122.2-120.8 153.1 71.6 30.4 42.2 65 122 A V E +B 323 0B 7 -60,-0.5 2,-0.5 -2,-0.3 258,-0.2 -0.840 32.2 179.6-100.5 114.4 68.2 31.8 41.2 66 123 A E E -B 322 0B 80 256,-2.5 256,-3.0 -2,-0.6 -61,-0.1 -0.902 22.7-135.2-126.5 103.0 66.5 33.4 44.2 67 124 A A E > -B 321 0B 26 -2,-0.5 3,-0.5 -63,-0.4 2,-0.4 -0.150 20.3-128.1 -47.6 138.1 63.1 34.9 43.7 68 125 A V G > S+ 0 0 2 252,-2.7 3,-2.3 1,-0.2 4,-0.4 -0.784 86.2 0.3 -94.7 139.8 62.6 38.3 45.3 69 126 A D G > S- 0 0 96 -2,-0.4 3,-1.2 1,-0.3 -1,-0.2 0.789 129.0 -63.0 54.2 34.5 59.6 38.7 47.6 70 127 A G G < S- 0 0 58 -3,-0.5 -67,-0.4 1,-0.2 -1,-0.3 0.584 97.2 -59.0 71.0 8.9 58.5 35.1 47.0 71 128 A G G < S+ 0 0 8 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.586 92.0 159.1 92.7 14.0 58.0 35.9 43.3 72 129 A G < - 0 0 23 -3,-1.2 248,-0.4 -4,-0.4 -1,-0.2 -0.250 41.3 -96.4 -70.5 159.0 55.4 38.7 43.8 73 130 A D + 0 0 67 246,-0.1 246,-0.2 1,-0.1 2,-0.2 -0.437 48.6 148.0 -82.8 146.1 54.6 41.3 41.3 74 131 A G E -C 318 0B 22 244,-2.2 244,-1.8 -2,-0.1 2,-0.4 -0.582 42.6 -71.1-144.9-143.2 56.0 44.8 41.0 75 132 A L E -Cd 317 296B 39 220,-1.7 222,-1.7 242,-0.2 2,-0.5 -0.973 23.0-163.3-136.4 130.1 56.9 47.4 38.3 76 133 A L E +Cd 316 297B 0 240,-3.2 240,-3.0 -2,-0.4 2,-0.2 -0.962 22.2 159.7-108.1 125.2 59.6 47.8 35.6 77 134 A T E -Cd 315 298B 15 220,-1.9 222,-3.0 -2,-0.5 2,-0.3 -0.714 24.3-137.6-124.1-174.6 60.1 51.2 34.1 78 135 A A E - d 0 299B 16 236,-0.6 2,-0.3 233,-0.5 222,-0.2 -0.980 14.7-174.0-148.5 158.5 63.0 52.5 32.2 79 136 A Y E - d 0 300B 20 220,-2.4 222,-3.4 -2,-0.3 223,-0.4 -0.912 9.0-149.8-145.7 168.9 65.1 55.6 32.0 80 137 A F - 0 0 70 -2,-0.3 223,-0.2 220,-0.2 220,-0.0 -0.931 37.1 -87.6-142.3 162.0 67.9 57.0 29.9 81 138 A A - 0 0 10 221,-3.7 85,-0.1 -2,-0.3 227,-0.1 -0.635 53.9-142.0 -77.1 109.3 70.8 59.4 30.3 82 139 A P - 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0 0 28 -2,-0.6 132,-2.8 130,-0.3 2,-0.1 -0.806 8.4-138.5-112.5 137.6 73.8 75.1 42.0 100 157 A G B -j 231 0C 29 -2,-0.4 132,-0.2 47,-0.3 47,-0.1 -0.331 51.3 -68.1 -81.6 168.9 77.0 73.6 43.5 101 158 A L - 0 0 86 130,-0.5 -1,-0.2 129,-0.1 128,-0.0 -0.399 60.2-117.2 -57.8 120.2 77.2 72.2 47.0 102 159 A P > - 0 0 29 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.333 11.5-134.2 -61.7 139.6 76.8 75.1 49.4 103 160 A A T 3 S+ 0 0 112 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.778 103.7 58.2 -66.0 -25.5 79.8 75.8 51.6 104 161 A D T 3 S+ 0 0 77 21,-0.1 22,-0.4 2,-0.0 2,-0.4 0.584 82.7 106.9 -80.1 -5.1 77.6 76.1 54.7 105 162 A L < - 0 0 23 -3,-1.3 2,-0.4 20,-0.1 20,-0.2 -0.579 47.7-173.3 -87.2 130.8 76.1 72.7 54.3 106 163 A V E -O 124 0E 62 18,-2.8 18,-2.3 -2,-0.4 2,-0.8 -0.976 23.4-154.3-125.1 130.6 77.1 70.0 56.8 107 164 A V E -O 123 0E 80 -2,-0.4 2,-0.6 16,-0.2 16,-0.2 -0.898 30.1-155.7 -95.8 103.9 76.3 66.3 57.0 108 165 A L E -O 122 0E 46 14,-2.6 14,-1.2 -2,-0.8 2,-0.3 -0.712 8.4-135.3 -92.0 117.5 76.8 65.8 60.7 109 166 A D E -O 121 0E 51 -2,-0.6 12,-0.2 12,-0.2 9,-0.1 -0.571 9.8-155.8 -72.7 137.3 77.6 62.3 61.9 110 167 A L S >> S+ 0 0 27 10,-2.3 3,-1.6 7,-0.4 4,-1.2 0.594 73.8 85.1 -91.5 -11.8 75.5 61.4 64.9 111 168 A G T 34 S+ 0 0 13 9,-0.4 3,-0.3 6,-0.3 7,-0.2 0.858 80.3 61.1 -61.1 -42.8 77.8 58.8 66.5 112 169 A P T 34 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.505 111.7 42.0 -60.1 -4.4 80.0 61.2 68.4 113 170 A F T <4 S+ 0 0 142 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.638 132.3 7.7-111.8 -29.2 76.9 62.4 70.3 114 171 A E >< - 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