==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-11 3VJ7 . COMPND 2 MOLECULE: COLICIN-E5; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.YAJIMA,S.INOUE,S.FUSHINOBU,T.OGAWA,M.HIDAKA,H.MASAKI . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 1 1.1 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 . 6 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 18 A P 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.9 -1.2 26.7 20.5 2 19 A G + 0 0 59 2,-0.1 2,-0.3 71,-0.0 0, 0.0 0.254 360.0 130.5 -90.2 14.0 -1.3 22.9 20.3 3 20 A L - 0 0 47 70,-0.0 2,-0.5 1,-0.0 70,-0.2 -0.513 43.6-158.0 -71.6 128.3 1.5 23.1 17.7 4 21 A K B -a 73 0A 126 68,-2.3 70,-2.1 -2,-0.3 2,-0.5 -0.936 11.9-174.8-115.8 129.3 4.4 20.8 18.4 5 22 A I - 0 0 27 -2,-0.5 68,-0.1 68,-0.2 70,-0.1 -0.974 15.2-155.0-121.0 113.4 7.9 21.3 16.9 6 23 A D > - 0 0 30 -2,-0.5 4,-2.6 68,-0.3 5,-0.2 -0.249 31.7 -99.7 -83.0 176.1 10.3 18.5 17.7 7 24 A Q H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.823 120.4 57.8 -66.1 -32.0 14.1 18.7 17.8 8 25 A K H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.970 113.2 39.5 -62.6 -50.6 14.6 17.3 14.4 9 26 A I H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.878 110.3 59.0 -66.4 -39.2 12.4 20.1 12.9 10 27 A R H < S+ 0 0 80 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.900 105.3 52.1 -56.1 -39.2 13.9 22.7 15.2 11 28 A G H < S+ 0 0 44 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.821 110.0 47.2 -67.0 -31.5 17.3 21.9 13.7 12 29 A Q H X S+ 0 0 52 -4,-1.1 4,-1.9 -3,-0.4 6,-0.2 0.662 92.0 80.9 -85.0 -18.3 16.1 22.3 10.1 13 30 A M H X>S+ 0 0 16 -4,-1.5 5,-2.8 -3,-0.3 4,-0.5 0.945 93.0 43.9 -54.9 -57.6 14.3 25.7 10.6 14 31 A P H 45S+ 0 0 102 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.799 117.4 47.1 -61.2 -28.5 17.4 28.0 10.4 15 32 A E H 45S+ 0 0 143 -4,-0.4 -2,-0.2 1,-0.2 66,-0.1 0.742 114.9 45.1 -84.9 -23.8 18.8 26.2 7.5 16 33 A Q H <5S- 0 0 21 -4,-1.9 64,-2.1 -3,-0.4 65,-0.2 0.268 120.3 -99.0-104.6 12.2 15.6 26.0 5.5 17 34 A G T <5S+ 0 0 31 -4,-0.5 2,-0.3 -3,-0.3 -4,-0.1 0.695 78.3 126.4 83.2 22.1 14.5 29.6 6.0 18 35 A W < - 0 0 6 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.878 34.7-172.4-118.8 149.0 12.0 29.3 8.9 19 36 A T > - 0 0 71 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.821 42.5-107.5-123.2 163.0 11.5 30.9 12.3 20 37 A E H > S+ 0 0 81 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.931 124.1 50.4 -60.3 -40.3 8.9 29.8 14.9 21 38 A D H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.863 105.6 57.4 -63.8 -35.2 7.0 33.0 14.2 22 39 A D H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 107.0 47.8 -61.0 -42.8 7.1 32.1 10.5 23 40 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.908 113.6 46.4 -66.2 -41.8 5.5 28.8 11.1 24 41 A K H X S+ 0 0 101 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 112.2 50.2 -67.3 -42.7 2.7 30.3 13.2 25 42 A N H X S+ 0 0 98 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.901 110.7 50.6 -62.0 -41.0 2.1 33.1 10.7 26 43 A T H >< S+ 0 0 6 -4,-2.1 3,-0.8 -5,-0.2 33,-0.4 0.896 109.6 48.9 -64.7 -41.1 1.8 30.6 7.9 27 44 A V H >< S+ 0 0 33 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.889 105.5 59.7 -66.0 -35.8 -0.7 28.4 9.7 28 45 A S H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.684 90.6 70.6 -65.3 -18.5 -2.7 31.5 10.5 29 46 A N T << S- 0 0 136 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.510 113.1-106.8 -77.1 -3.6 -3.1 32.1 6.8 30 47 A G < - 0 0 30 -3,-1.9 29,-0.6 -4,-0.1 -1,-0.2 0.157 40.6 -54.1 95.0 149.7 -5.4 29.1 6.6 31 48 A A E +B 58 0B 67 1,-0.1 27,-0.2 27,-0.1 3,-0.1 -0.374 44.5 176.4 -61.5 128.5 -5.3 25.5 5.4 32 49 A T E - 0 0 52 25,-2.3 62,-2.5 1,-0.2 2,-0.3 0.380 62.3 -16.2-115.2 -0.9 -4.3 25.4 1.7 33 50 A G E -BC 57 93B 14 24,-1.2 24,-2.0 60,-0.3 2,-0.3 -0.974 58.9-121.0-177.3-172.1 -4.3 21.6 1.3 34 51 A T E +BC 56 92B 59 58,-2.2 58,-3.4 -2,-0.3 2,-0.3 -0.918 29.0 143.6-146.4 166.8 -4.2 18.2 2.9 35 52 A S E -B 55 0B 1 20,-2.0 20,-3.0 -2,-0.3 2,-0.4 -0.915 42.0 -80.2-175.0-156.9 -2.1 15.1 3.0 36 53 A F E -B 54 0B 100 18,-0.3 2,-0.8 -2,-0.3 54,-0.1 -0.974 20.8-133.2-134.4 147.5 -0.9 12.3 5.2 37 54 A D E +B 53 0B 0 16,-3.7 16,-1.9 -2,-0.4 -2,-0.0 -0.892 36.0 159.5 -99.4 107.8 1.8 12.0 7.8 38 55 A K + 0 0 111 -2,-0.8 -1,-0.1 14,-0.2 14,-0.1 -0.116 17.0 163.4-118.8 31.8 3.5 8.7 7.0 39 56 A R - 0 0 26 1,-0.1 12,-1.9 4,-0.1 5,-0.1 -0.211 38.3-115.9 -57.2 140.5 6.8 9.4 8.8 40 57 A S > - 0 0 79 10,-0.2 3,-1.7 1,-0.1 10,-0.3 -0.292 30.0-103.7 -71.5 160.9 9.1 6.5 9.5 41 58 A P G > S+ 0 0 57 0, 0.0 3,-1.8 0, 0.0 9,-0.4 0.875 119.7 59.6 -52.5 -43.8 9.9 5.5 13.2 42 59 A K G 3 S+ 0 0 153 1,-0.3 7,-0.1 7,-0.1 -3,-0.0 0.696 105.7 50.4 -62.2 -17.9 13.3 7.1 13.0 43 60 A K G < S+ 0 0 106 -3,-1.7 -1,-0.3 1,-0.2 -4,-0.1 0.226 90.8 77.9-107.4 15.1 11.7 10.4 12.3 44 61 A T S <> S- 0 0 1 -3,-1.8 4,-3.4 -4,-0.1 5,-0.4 -0.518 79.9-150.3-123.0 65.1 9.1 10.6 15.1 45 62 A P T >4 + 0 0 40 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.514 68.6 14.2 -22.9 169.4 11.3 11.6 18.1 46 63 A P T 34 S+ 0 0 143 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.711 136.4 43.8 13.5 58.7 10.7 10.6 21.8 47 64 A D T 34 S- 0 0 71 -6,-0.1 0, 0.0 -3,-0.0 0, 0.0 -0.142 74.3-174.0-179.4 -62.5 8.3 8.1 20.5 48 65 A Y << + 0 0 124 -4,-3.4 3,-0.1 -3,-0.6 -6,-0.1 0.649 50.4 113.5 56.0 21.1 10.0 6.4 17.5 49 66 A L S S- 0 0 143 -5,-0.4 -1,-0.1 -4,-0.2 -7,-0.1 0.436 74.4-122.5-100.2 0.5 6.8 4.5 16.7 50 67 A G - 0 0 16 -9,-0.4 2,-0.3 -10,-0.3 -1,-0.2 -0.042 22.0 -98.3 82.5 170.2 6.0 6.1 13.3 51 68 A R + 0 0 20 -12,-1.9 -7,-0.0 -3,-0.1 -1,-0.0 -0.948 25.7 179.1-132.2 153.1 2.9 7.9 12.2 52 69 A N + 0 0 124 -2,-0.3 -14,-0.2 -14,-0.1 -2,-0.0 -0.386 43.8 127.4-147.1 56.6 -0.1 6.9 10.2 53 70 A D E -B 37 0B 18 -16,-1.9 -16,-3.7 1,-0.0 2,-0.1 -0.815 59.8-112.1-127.6 159.9 -2.3 10.1 10.1 54 71 A P E -B 36 0B 64 0, 0.0 15,-2.1 0, 0.0 16,-0.5 -0.501 43.0-165.6 -77.6 155.8 -4.2 12.5 7.9 55 72 A A E -BD 35 68B 0 -20,-3.0 -20,-2.0 13,-0.2 2,-0.4 -0.935 19.7-126.8-142.7 165.3 -2.6 16.0 7.9 56 73 A T E -BD 34 67B 27 11,-2.2 11,-2.7 -2,-0.3 2,-0.4 -0.922 21.0-144.6-115.4 138.8 -3.3 19.6 7.0 57 74 A V E -BD 33 66B 0 -24,-2.0 -25,-2.3 -2,-0.4 -24,-1.2 -0.846 12.9-167.0-105.0 139.2 -1.0 21.6 4.7 58 75 A Y E +BD 31 65B 42 7,-2.9 7,-2.4 -2,-0.4 2,-0.3 -0.955 50.9 13.7-125.6 145.1 -0.3 25.3 5.2 59 76 A G E S- D 0 64B 14 -29,-0.6 5,-0.3 -33,-0.4 -2,-0.1 -0.695 90.2 -60.5 98.8-149.7 1.4 27.8 2.8 60 77 A S E > - D 0 63B 58 3,-2.8 3,-2.9 -2,-0.3 -2,-0.1 -0.869 67.8 -55.2-136.3 167.4 2.2 27.2 -0.8 61 78 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.155 126.9 4.0 -45.1 124.0 4.2 24.9 -3.0 62 79 A G T 3 S+ 0 0 17 22,-0.1 20,-0.2 1,-0.0 2,-0.2 0.267 128.3 68.6 81.7 -14.3 7.8 24.9 -1.9 63 80 A K E < S+D 60 0B 63 -3,-2.9 -3,-2.8 2,-0.0 2,-0.3 -0.641 79.5 122.3-134.8 71.6 6.9 27.2 1.0 64 81 A Y E -D 59 0B 1 -5,-0.3 14,-1.9 -2,-0.2 2,-0.4 -0.887 48.2-148.4-138.6 167.9 4.7 25.0 3.3 65 82 A V E -DE 58 77B 0 -7,-2.4 -7,-2.9 -2,-0.3 2,-0.5 -0.992 14.8-154.2-132.3 136.0 4.2 23.4 6.7 66 83 A V E -DE 57 76B 3 10,-2.0 9,-2.4 -2,-0.4 10,-0.9 -0.965 11.2-166.3-115.3 128.9 2.5 20.0 7.2 67 84 A V E -DE 56 74B 12 -11,-2.7 -11,-2.2 -2,-0.5 2,-0.2 -0.966 23.5-122.1-122.4 125.1 0.7 19.4 10.5 68 85 A N E > -D 55 0B 1 5,-2.9 4,-2.6 -2,-0.5 -13,-0.2 -0.408 18.1-146.6 -62.1 120.6 -0.4 16.0 11.8 69 86 A D T 4 S+ 0 0 85 -15,-2.1 -1,-0.2 -2,-0.2 -14,-0.1 0.866 95.5 40.1 -59.4 -38.5 -4.2 16.3 12.4 70 87 A R T 4 S+ 0 0 157 -16,-0.5 -1,-0.2 1,-0.1 -15,-0.1 0.935 128.4 27.1 -77.5 -46.2 -4.1 13.9 15.4 71 88 A T T 4 S- 0 0 28 2,-0.1 -2,-0.2 -67,-0.0 3,-0.1 0.764 86.9-132.9 -90.5 -29.7 -0.9 15.1 17.1 72 89 A G < + 0 0 16 -4,-2.6 -68,-2.3 1,-0.3 -3,-0.1 0.427 59.8 142.0 87.3 -3.0 -0.4 18.7 16.2 73 90 A E B -a 4 0A 33 -70,-0.2 -5,-2.9 -5,-0.1 2,-0.7 -0.405 59.8-115.9 -71.9 147.6 3.2 17.9 15.4 74 91 A V E -E 67 0B 2 -70,-2.1 -68,-0.3 -7,-0.2 -7,-0.3 -0.773 28.5-172.8 -84.4 118.5 4.8 19.5 12.4 75 92 A T E - 0 0 16 -9,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.865 64.7 -4.1 -82.8 -34.9 5.6 16.6 10.0 76 93 A Q E -E 66 0B 49 -10,-0.9 -10,-2.0 2,-0.0 2,-0.4 -0.973 46.4-161.9-161.3 142.0 7.6 18.7 7.5 77 94 A I E -E 65 0B 3 -2,-0.3 -12,-0.2 -12,-0.2 -59,-0.1 -0.983 32.5-129.3-117.8 132.8 8.7 22.2 6.6 78 95 A S - 0 0 0 -14,-1.9 2,-1.0 -2,-0.4 3,-0.1 -0.317 26.9-100.9 -76.1 167.3 9.8 22.7 3.0 79 96 A D > - 0 0 30 1,-0.2 3,-1.3 3,-0.1 6,-0.2 -0.785 31.6-170.5 -93.0 102.0 13.2 24.3 2.2 80 97 A K T 3 S+ 0 0 75 -64,-2.1 -1,-0.2 -2,-1.0 -63,-0.1 0.663 84.7 57.8 -66.9 -14.2 12.3 27.9 1.2 81 98 A T T 3 S+ 0 0 93 -65,-0.2 -1,-0.2 -66,-0.1 -64,-0.1 0.602 89.1 82.0 -90.1 -13.0 15.9 28.4 -0.0 82 99 A D X - 0 0 70 -3,-1.3 3,-1.3 -20,-0.2 -3,-0.1 -0.822 57.4-172.3 -95.4 107.1 15.7 25.5 -2.5 83 100 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.701 85.9 56.4 -71.6 -17.5 14.0 26.8 -5.7 84 101 A G T 3 S+ 0 0 52 -3,-0.1 -22,-0.1 2,-0.1 -2,-0.0 0.318 76.7 145.8 -95.4 9.8 14.0 23.2 -7.1 85 102 A W < - 0 0 65 -3,-1.3 2,-0.5 -6,-0.2 -7,-0.0 -0.174 39.9-146.5 -51.2 129.7 12.1 21.9 -4.1 86 103 A V - 0 0 122 -24,-0.1 3,-0.1 -25,-0.0 -1,-0.1 -0.875 20.0-117.9-101.0 129.5 9.7 19.1 -5.0 87 104 A D - 0 0 43 -2,-0.5 2,-0.0 1,-0.1 -1,-0.0 -0.312 37.2 -95.5 -63.6 147.3 6.5 18.9 -3.0 88 105 A D > - 0 0 47 1,-0.1 3,-1.4 2,-0.1 -1,-0.1 -0.416 34.4-123.3 -61.6 141.8 6.0 15.7 -1.0 89 106 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.605 106.3 62.7 -65.4 -14.4 3.8 13.3 -3.1 90 107 A R T 3 S+ 0 0 93 -54,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.702 79.2 106.9 -85.2 -17.1 1.2 13.0 -0.4 91 108 A I < - 0 0 18 -3,-1.4 2,-0.5 -56,-0.1 -56,-0.2 -0.401 49.8-168.1 -67.4 131.5 0.3 16.7 -0.5 92 109 A Q E -C 34 0B 99 -58,-3.4 -58,-2.2 -2,-0.2 2,-0.2 -0.960 13.7-145.3-121.4 108.6 -3.0 17.6 -2.2 93 110 A W E C 33 0B 85 -2,-0.5 -60,-0.3 -60,-0.2 -33,-0.0 -0.557 360.0 360.0 -77.7 137.9 -3.4 21.3 -2.9 94 111 A G 0 0 108 -62,-2.5 -1,-0.1 -2,-0.2 -62,-0.0 -0.164 360.0 360.0 -80.4 360.0 -6.9 22.6 -2.6