==== 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 RIBOSOME INHIBITOR, HYDROLASE 09-JUN-01 1JCH . COMPND 2 MOLECULE: COLICIN E3; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI STR. K12 SUBSTR.; . AUTHOR S.SOELAIMAN,K.JAKES,N.WU,C.LI,M.SHOHAM . 1104 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 726 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 107 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 26.8 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 4 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 10 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 . 16 16 6 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 8 4 2 4 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 84 A V 0 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.2 55.3 133.3 5.3 2 85 A A - 0 0 51 1,-0.2 18,-0.0 18,-0.0 125,-0.0 0.180 360.0 -0.5 -84.4-155.0 51.7 134.3 6.3 3 86 A A S S- 0 0 15 1,-0.2 2,-3.5 17,-0.1 -1,-0.2 -0.047 74.2-128.8 -37.4 105.7 48.5 132.2 6.2 4 87 A P - 0 0 92 0, 0.0 -1,-0.2 0, 0.0 18,-0.1 -0.235 32.0-147.5 -59.5 63.9 49.7 128.8 4.9 5 88 A V - 0 0 59 -2,-3.5 2,-0.1 1,-0.1 3,-0.1 0.161 22.3-175.8 -34.9 150.4 47.0 128.6 2.2 6 89 A A - 0 0 49 1,-0.1 2,-0.2 16,-0.0 -1,-0.1 -0.330 33.5 -17.0-129.8-150.0 45.7 125.1 1.4 7 90 A F - 0 0 109 -2,-0.1 17,-0.3 1,-0.1 -1,-0.1 -0.456 66.2-117.9 -65.4 124.5 43.5 123.0 -0.9 8 91 A G + 0 0 18 -2,-0.2 17,-0.2 144,-0.2 -1,-0.1 -0.093 37.6 176.1 -56.9 164.1 40.8 125.0 -2.7 9 92 A F B -a 25 0A 11 15,-1.1 17,-2.7 144,-0.2 146,-0.1 -0.914 24.5-138.1-168.6 151.9 37.1 124.2 -2.0 10 93 A P S S- 0 0 44 0, 0.0 -1,-0.1 0, 0.0 60,-0.1 0.831 75.2 -34.4 -80.6-113.4 33.5 125.5 -3.1 11 94 A A S S+ 0 0 20 60,-0.1 2,-0.1 14,-0.1 60,-0.1 -0.280 98.4 117.0-119.0 54.9 30.8 125.9 -0.5 12 95 A L S S- 0 0 22 56,-0.1 2,-0.4 1,-0.1 58,-0.3 -0.445 73.7 -78.9-107.5-179.0 31.5 122.9 1.9 13 96 A S - 0 0 0 -2,-0.1 146,-0.5 56,-0.1 149,-0.1 -0.687 46.2-165.6 -81.6 129.5 32.5 122.5 5.5 14 97 A T - 0 0 5 -2,-0.4 54,-1.8 144,-0.1 2,-0.5 -0.749 9.2-157.0-127.6 93.6 36.2 123.1 5.9 15 98 A P B +B 67 0B 20 0, 0.0 2,-0.4 0, 0.0 52,-0.2 -0.504 16.7 179.6 -68.7 114.3 38.0 122.0 9.1 16 99 A G - 0 0 24 50,-1.8 2,-1.0 -2,-0.5 -2,-0.0 -0.874 32.9-118.2-110.0 146.7 41.1 124.0 9.4 17 100 A A - 0 0 65 -2,-0.4 3,-0.3 48,-0.1 4,-0.3 -0.788 40.3-104.9 -92.4 100.3 43.3 123.4 12.5 18 101 A G S S+ 0 0 22 -2,-1.0 3,-0.5 1,-0.2 -1,-0.1 0.226 85.4 115.9 18.9 -76.6 43.4 126.6 14.4 19 102 A G S S- 0 0 72 1,-0.2 -1,-0.2 2,-0.0 -16,-0.0 0.154 107.4 -43.8 25.6 -83.4 46.9 127.8 13.5 20 103 A L S S- 0 0 94 -3,-0.3 123,-1.2 121,-0.1 -1,-0.2 0.358 78.8-119.9-147.7 -8.1 45.7 131.0 11.6 21 104 A A - 0 0 23 -3,-0.5 123,-0.6 -4,-0.3 2,-0.4 0.839 30.8-163.4 59.6 114.6 42.8 129.7 9.4 22 105 A V B -d 144 0C 22 121,-0.2 2,-0.4 -18,-0.1 -1,-0.1 -0.967 2.4-152.8-125.0 145.6 43.4 130.1 5.8 23 106 A S + 0 0 13 121,-2.0 123,-0.5 -2,-0.4 2,-0.4 -0.966 15.0 179.9-123.6 135.5 40.8 129.9 3.1 24 107 A I - 0 0 18 -2,-0.4 -15,-1.1 -17,-0.3 2,-0.3 -0.783 15.6-165.2-130.5 88.2 41.2 129.0 -0.5 25 108 A S B -a 9 0A 16 -2,-0.4 123,-1.3 -17,-0.2 2,-0.9 -0.595 15.1-140.4 -79.4 130.2 37.8 129.1 -2.2 26 109 A A B -e 148 0D 6 -17,-2.7 123,-0.2 -2,-0.3 125,-0.1 -0.848 29.5-126.4 -92.3 104.1 37.5 127.5 -5.6 27 110 A G + 0 0 20 121,-2.2 2,-0.2 -2,-0.9 126,-0.0 -0.184 53.6 122.0 -55.1 138.3 35.4 129.8 -7.6 28 111 A A - 0 0 59 -18,-0.0 44,-0.2 122,-0.0 3,-0.1 -0.859 64.6 -76.0 172.5 154.9 32.3 128.4 -9.3 29 112 A L S S- 0 0 164 -2,-0.2 43,-0.0 1,-0.1 0, 0.0 -0.352 70.3 -73.3 -69.4 150.5 28.6 129.1 -9.3 30 113 A S - 0 0 73 1,-0.1 -1,-0.1 -20,-0.1 2,-0.1 -0.104 53.8-122.8 -43.2 134.6 26.6 127.8 -6.3 31 114 A A - 0 0 50 -3,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.369 17.5-115.7 -77.2 159.0 26.2 124.0 -6.4 32 115 A A S > S+ 0 0 87 2,-0.2 3,-0.5 1,-0.1 -1,-0.1 0.709 109.7 66.5 -70.9 -19.7 22.8 122.4 -6.4 33 116 A I G > S+ 0 0 109 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.988 102.2 41.2 -60.3 -77.0 23.6 120.8 -3.0 34 117 A A G > S+ 0 0 6 1,-0.3 3,-1.1 2,-0.1 -1,-0.2 0.399 91.4 100.8 -53.8 7.3 23.8 124.0 -0.9 35 118 A D G X + 0 0 83 -3,-0.5 3,-2.8 1,-0.2 4,-0.4 0.547 43.3 100.3 -72.3 -7.7 20.8 124.9 -3.0 36 119 A I G <> + 0 0 41 -3,-1.3 4,-3.0 1,-0.3 3,-0.3 0.791 62.5 82.4 -50.4 -24.5 18.5 124.0 -0.1 37 120 A M H <> S+ 0 0 12 -3,-1.1 4,-3.1 1,-0.2 -1,-0.3 0.828 85.5 59.5 -46.9 -33.8 18.4 127.8 0.4 38 121 A A H <> S+ 0 0 60 -3,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.954 108.8 37.5 -59.8 -59.6 15.7 127.8 -2.3 39 122 A A H 4 S+ 0 0 77 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.2 0.833 116.3 59.3 -66.1 -31.9 13.3 125.5 -0.5 40 123 A L H < S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.995 98.3 52.4 -57.7 -69.6 14.3 127.3 2.7 41 124 A K H < S+ 0 0 74 -4,-3.1 -1,-0.2 -5,-0.1 3,-0.2 0.668 79.0 136.4 -43.3 -17.4 13.3 130.8 1.7 42 125 A G S < S- 0 0 20 -4,-0.6 -3,-0.1 -3,-0.4 -4,-0.0 -0.118 77.5 -92.6 -39.9 110.5 10.0 129.3 0.9 43 126 A P + 0 0 133 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.012 64.2 168.1 -33.5 94.6 7.6 131.9 2.3 44 127 A F - 0 0 81 -3,-0.2 3,-0.2 1,-0.2 70,-0.1 -0.648 44.8 -69.1-111.0 169.5 7.0 130.6 5.9 45 128 A K S S- 0 0 178 -2,-0.2 69,-0.2 1,-0.2 -1,-0.2 -0.199 76.2 -76.1 -52.3 146.1 5.3 132.2 9.0 46 129 A F S S+ 0 0 110 67,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.235 93.4 90.1 -52.8 123.8 7.4 135.0 10.4 47 130 A G S S- 0 0 17 67,-0.6 2,-0.5 -3,-0.2 -3,-0.1 -0.962 81.4 -80.1 172.6-171.0 10.3 133.5 12.2 48 131 A L + 0 0 23 -2,-0.3 125,-0.9 65,-0.1 2,-0.2 -0.859 52.3 171.3-123.4 92.5 13.9 132.3 11.7 49 132 A W E +F 172 0E 70 -2,-0.5 63,-1.6 123,-0.2 64,-1.2 -0.515 3.7 174.6 -97.3 169.3 13.9 128.8 10.2 50 133 A G E -F 171 0E 0 121,-3.7 121,-1.7 61,-0.2 2,-0.4 -0.960 25.1-123.4-161.9 177.8 16.8 126.8 8.9 51 134 A V E -F 170 0E 7 -2,-0.3 59,-1.0 119,-0.2 2,-0.3 -0.993 30.2-115.7-138.4 128.6 18.1 123.6 7.5 52 135 A A B +G 109 0F 5 117,-0.7 57,-0.3 -2,-0.4 114,-0.1 -0.436 34.2 176.9 -64.0 120.2 20.9 121.4 8.8 53 136 A L - 0 0 13 55,-2.5 113,-0.4 -2,-0.3 -1,-0.2 0.867 61.1 -2.4 -83.9 -81.8 23.6 121.5 6.2 54 137 A Y - 0 0 23 111,-0.1 54,-0.6 52,-0.1 2,-0.3 -0.364 67.7-124.3-102.3 178.8 26.3 119.4 7.7 55 138 A G - 0 0 11 108,-0.8 2,-0.3 51,-0.2 51,-0.2 -0.927 14.5-150.7-123.9 150.2 27.0 117.6 11.0 56 139 A V + 0 0 2 49,-1.8 106,-0.2 -2,-0.3 49,-0.1 -0.765 27.4 140.9-115.0 163.0 29.8 117.9 13.5 57 140 A L - 0 0 66 104,-0.7 2,-0.6 -2,-0.3 47,-0.0 -0.982 54.2 -20.5 178.7 175.5 31.2 115.3 15.8 58 141 A P + 0 0 123 0, 0.0 151,-0.1 0, 0.0 -2,-0.0 -0.104 64.9 176.9 -40.9 88.5 34.2 113.5 17.6 59 142 A S - 0 0 47 -2,-0.6 103,-0.1 102,-0.1 101,-0.0 0.993 30.5 -96.2 -61.2 -92.5 37.0 114.7 15.3 60 143 A Q S S+ 0 0 156 1,-0.4 2,-0.0 3,-0.2 -1,-0.0 -0.032 77.3 53.3-159.8 -91.7 40.6 113.8 16.1 61 144 A I S S- 0 0 82 1,-0.1 2,-2.1 2,-0.0 -1,-0.4 -0.271 77.5-106.5 -72.9 154.1 43.4 115.7 18.0 62 145 A A S S+ 0 0 113 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.110 90.5 93.4 -72.7 42.3 43.3 117.2 21.4 63 146 A K S S- 0 0 116 -2,-2.1 2,-0.5 2,-0.0 -3,-0.2 -0.963 76.5-113.1-137.5 154.4 43.2 120.7 20.0 64 147 A D + 0 0 128 -2,-0.3 144,-0.1 -47,-0.1 -46,-0.1 -0.753 38.7 159.9 -92.6 126.5 40.4 123.1 19.0 65 148 A D - 0 0 15 -2,-0.5 142,-0.2 142,-0.2 -48,-0.1 -0.982 22.6-146.1-146.5 131.0 39.9 124.0 15.3 66 149 A P - 0 0 16 0, 0.0 -50,-1.8 0, 0.0 2,-0.5 -0.189 20.7-106.7 -88.0-178.3 36.7 125.5 13.6 67 150 A N B -BC 15 205B 0 138,-2.1 138,-2.0 -52,-0.2 2,-0.9 -0.967 16.8-155.1-117.6 120.2 35.1 125.1 10.2 68 151 A M - 0 0 13 -54,-1.8 2,-1.9 -2,-0.5 136,-0.2 -0.308 18.0-178.9 -89.7 50.3 35.4 128.0 7.7 69 152 A M + 0 0 0 -2,-0.9 27,-0.5 134,-0.2 134,-0.4 -0.214 12.9 174.2 -52.8 78.8 32.3 127.2 5.7 70 153 A S + 0 0 14 -2,-1.9 132,-0.2 -58,-0.3 2,-0.2 -0.435 8.7 172.2 -85.4 169.0 32.6 130.0 3.2 71 154 A K E -H 201 0G 12 130,-0.9 130,-0.8 -2,-0.1 3,-0.2 -0.714 37.8 -90.2-178.1 121.7 30.3 130.4 0.2 72 155 A I E -H 200 0G 51 -2,-0.2 2,-0.7 128,-0.2 128,-0.3 0.304 56.0 -83.3 -28.9 161.7 29.9 133.2 -2.5 73 156 A V S S+ 0 0 21 126,-4.0 -1,-0.2 1,-0.2 126,-0.1 -0.665 75.1 127.4 -80.0 111.4 27.5 136.0 -1.9 74 157 A T + 0 0 67 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 0.027 68.0 72.2-142.1 10.3 23.9 135.0 -3.0 75 158 A S + 0 0 2 -3,-0.1 17,-3.3 17,-0.1 18,-0.6 0.442 66.7 109.5-109.2 -6.1 22.6 136.1 0.5 76 159 A L - 0 0 24 15,-0.3 3,-0.2 1,-0.1 15,-0.2 -0.629 67.4-137.9 -80.0 126.4 22.8 139.9 0.1 77 160 A P S S- 0 0 65 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.522 90.7 -24.1 -58.3 -4.8 19.5 141.7 -0.2 78 161 A A S S- 0 0 71 12,-0.2 2,-0.3 2,-0.0 -3,-0.0 -0.363 77.5-157.3 156.9 121.0 21.2 143.8 -2.9 79 162 A D + 0 0 65 -3,-0.2 2,-0.3 -2,-0.2 120,-0.0 -0.907 22.8 145.1-125.3 156.1 24.9 144.3 -3.2 80 163 A D - 0 0 89 -2,-0.3 2,-2.1 0, 0.0 -2,-0.0 -0.916 66.5 -79.3-165.7 170.6 27.2 146.8 -4.8 81 164 A I - 0 0 151 -2,-0.3 3,-0.1 109,-0.0 -2,-0.0 -0.318 69.6-172.7 -80.1 57.8 30.6 148.3 -4.0 82 165 A T - 0 0 63 -2,-2.1 2,-0.1 1,-0.1 -3,-0.0 0.337 32.0 -65.0 -44.4 175.8 28.8 150.6 -1.5 83 166 A E > - 0 0 150 1,-0.1 3,-1.5 2,-0.0 -1,-0.1 -0.429 41.4-123.7 -68.7 142.9 30.4 153.5 0.4 84 167 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.768 101.0 81.5 -57.4 -29.2 33.1 152.6 3.0 85 168 A P T 3 S+ 0 0 109 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.765 79.9 76.2 -48.8 -29.9 31.1 154.4 5.7 86 169 A V < + 0 0 72 -3,-1.5 3,-0.1 1,-0.1 446,-0.0 -0.768 49.0 171.1 -91.3 121.5 28.9 151.3 6.1 87 170 A S + 0 0 47 -2,-0.6 34,-1.5 1,-0.1 2,-0.4 0.362 66.0 60.5-106.7 2.1 30.4 148.4 8.0 88 171 A S E +K 120 0H 27 32,-0.3 -1,-0.1 98,-0.1 98,-0.0 -0.986 58.2 176.3-138.7 130.3 27.2 146.4 8.1 89 172 A L E -K 119 0H 22 30,-3.2 30,-2.0 -2,-0.4 98,-0.2 -0.962 27.4-114.7-131.8 145.3 25.0 145.1 5.4 90 173 A P E -K 118 0H 63 0, 0.0 2,-0.3 0, 0.0 28,-0.3 -0.057 27.5-174.6 -70.7 177.3 21.9 142.9 5.4 91 174 A L - 0 0 4 26,-1.6 -15,-0.3 -15,-0.2 26,-0.2 -0.881 28.9-135.1-170.7 141.8 21.5 139.4 4.0 92 175 A D S S+ 0 0 77 -17,-3.3 2,-0.3 -2,-0.3 -16,-0.1 0.549 91.7 23.5 -79.1 -14.0 18.6 137.0 3.5 93 176 A K - 0 0 13 -18,-0.6 2,-0.5 24,-0.1 19,-0.3 -0.992 62.8-153.1-152.2 144.6 20.4 134.0 4.8 94 177 A A B -L 111 0I 2 17,-3.1 17,-1.3 -2,-0.3 15,-0.2 -0.994 15.1-167.7-123.3 124.3 23.4 133.5 7.2 95 178 A T + 0 0 3 -2,-0.5 14,-0.5 15,-0.1 16,-0.3 0.814 61.0 60.7 -72.3-110.0 25.4 130.2 6.6 96 179 A V + 0 0 0 -27,-0.5 89,-0.3 12,-0.1 2,-0.3 0.132 66.0 154.8 -28.1 113.7 27.9 129.1 9.2 97 180 A N - 0 0 0 9,-0.3 2,-1.1 10,-0.2 81,-0.2 -0.832 44.3-142.2-154.9 108.6 25.8 128.6 12.3 98 181 A V + 0 0 0 79,-0.5 2,-0.5 -2,-0.3 81,-0.2 -0.624 35.2 171.9 -68.0 104.4 26.5 126.4 15.2 99 182 A N E -M 106 0J 3 -2,-1.1 7,-2.1 7,-0.8 2,-1.0 -0.983 22.7-155.6-115.4 127.3 22.8 125.3 15.8 100 183 A V E +M 105 0J 1 -2,-0.5 5,-0.2 5,-0.2 76,-0.1 -0.743 29.1 161.8-104.3 84.5 22.6 122.5 18.4 101 184 A R - 0 0 53 -2,-1.0 -1,-0.1 3,-0.6 4,-0.0 0.834 66.4 -6.0 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