==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-12 3VTA . COMPND 2 MOLECULE: CUCUMISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCUMIS MELO; . AUTHOR K.MURAYAMA,M.KATO-MURAYAMA,T.HOSAKA,A.SOTOKAWAUCHI,M.SHIROUZ . 1185 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 710 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 13.4 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 93 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 9 2 1 1 1 2 4 0 0 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 1 5 9 1 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 PARALLEL BRIDGES PER LADDER . 9 5 2 8 2 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 5 3 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 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 1 111 A T 0 0 1 0, 0.0 4,-0.3 0, 0.0 120,-0.2 0.000 360.0 360.0 360.0 -16.9 -9.2 -60.8 16.2 2 112 A T + 0 0 7 118,-0.1 117,-0.4 114,-0.1 118,-0.1 0.465 360.0 14.8 -83.6 -5.9 -7.9 -61.3 12.7 3 113 A R S > S+ 0 0 48 387,-0.1 4,-1.8 115,-0.1 5,-0.2 0.564 109.7 75.8-138.2 -29.5 -10.0 -58.1 12.2 4 114 A S H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.926 95.5 52.4 -57.7 -49.8 -11.0 -56.4 15.5 5 115 A W H >4>S+ 0 0 0 -4,-0.3 5,-2.8 1,-0.2 3,-0.6 0.904 111.8 46.1 -54.3 -43.9 -7.6 -54.9 16.2 6 116 A D H >45S+ 0 0 23 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.830 108.3 57.4 -67.5 -32.7 -7.5 -53.3 12.8 7 117 A F H 3<5S+ 0 0 44 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.727 105.9 50.8 -68.1 -23.9 -11.0 -52.1 13.2 8 118 A L T <<5S- 0 0 11 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.394 122.9-107.3 -92.7 -2.4 -9.8 -50.3 16.4 9 119 A G T < 5S+ 0 0 32 -3,-1.1 -3,-0.2 -5,-0.2 462,-0.2 0.829 81.5 131.2 78.5 30.6 -7.0 -48.7 14.5 10 120 A F < - 0 0 2 -5,-2.8 -1,-0.1 -6,-0.2 -3,-0.1 -0.722 39.1-173.9-118.2 77.0 -4.5 -50.9 16.2 11 121 A P > - 0 0 15 0, 0.0 3,-1.4 0, 0.0 1165,-0.1 -0.056 41.9-105.8 -64.9 166.9 -2.4 -52.2 13.1 12 122 A L T 3 S+ 0 0 57 1163,-0.3 1164,-0.1 1,-0.3 -6,-0.0 0.687 120.0 60.8 -67.6 -16.7 0.4 -54.8 13.1 13 123 A T T 3 S+ 0 0 100 1163,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.165 71.6 134.1 -99.5 18.3 2.6 -51.8 12.7 14 124 A V < - 0 0 12 -3,-1.4 -4,-0.1 1,-0.1 457,-0.0 -0.390 64.7 -99.5 -70.0 148.3 1.9 -49.8 15.9 15 125 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.255 46.8-163.2 -61.7 152.6 4.9 -48.5 17.8 16 126 A R - 0 0 72 -3,-0.1 3,-0.1 414,-0.0 411,-0.0 -0.830 33.6-141.9-135.2 171.6 5.9 -50.6 20.8 17 127 A R >> + 0 0 115 -2,-0.3 4,-3.1 1,-0.1 3,-0.9 -0.524 31.3 175.3-129.6 58.2 8.0 -50.5 24.0 18 128 A S H 3> S+ 0 0 71 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.728 72.8 55.3 -37.7 -38.0 9.2 -54.0 23.6 19 129 A Q H 34 S+ 0 0 142 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.941 116.6 33.7 -66.6 -49.4 11.5 -53.7 26.6 20 130 A V H X4 S+ 0 0 51 -3,-0.9 3,-1.2 2,-0.2 4,-0.3 0.900 117.4 56.5 -72.0 -41.2 8.7 -52.7 29.1 21 131 A E H >< S+ 0 0 2 -4,-3.1 3,-1.4 1,-0.3 107,-0.3 0.895 103.2 53.5 -57.5 -43.6 6.1 -54.9 27.3 22 132 A S T 3< S+ 0 0 16 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.647 107.6 52.2 -69.3 -13.2 8.2 -58.0 27.7 23 133 A N T < S+ 0 0 71 -3,-1.2 2,-0.4 -4,-0.4 -1,-0.3 0.343 88.1 101.8-102.9 4.9 8.5 -57.4 31.4 24 134 A I < - 0 0 8 -3,-1.4 104,-3.2 -4,-0.3 2,-0.6 -0.733 58.4-152.1 -94.6 137.2 4.8 -57.0 32.0 25 135 A V E -a 128 0A 3 -2,-0.4 133,-2.6 131,-0.2 134,-1.0 -0.932 2.2-159.4-112.9 121.9 2.7 -59.9 33.4 26 136 A V E -ab 129 159A 2 102,-3.0 104,-2.1 -2,-0.6 2,-0.4 -0.881 10.5-152.6-101.5 112.3 -1.0 -60.2 32.6 27 137 A G E -ab 130 160A 0 132,-2.3 134,-2.4 -2,-0.7 2,-0.5 -0.715 9.9-164.0 -85.9 132.0 -2.9 -62.3 35.1 28 138 A V E -ab 131 161A 8 102,-2.7 104,-2.4 -2,-0.4 2,-0.6 -0.929 8.9-163.3-124.7 110.6 -5.9 -64.0 33.7 29 139 A L E +ab 132 162A 0 132,-1.6 134,-0.9 -2,-0.5 2,-0.2 -0.811 49.7 94.6 -90.3 120.1 -8.7 -65.5 35.9 30 140 A D E S-a 133 0A 2 102,-1.4 104,-2.3 -2,-0.6 105,-1.4 -0.807 90.4 -39.8-170.1-149.1 -10.8 -67.9 33.8 31 141 A T S S- 0 0 13 1,-0.3 60,-0.4 -2,-0.2 61,-0.4 0.203 92.1 -95.6 -84.9 15.0 -11.1 -71.6 32.9 32 142 A G - 0 0 4 100,-0.2 2,-0.3 -4,-0.2 -1,-0.3 -0.504 44.2 -81.9 102.3-173.1 -7.3 -72.1 32.7 33 143 A I B -k 89 0B 2 55,-1.9 57,-0.7 -2,-0.2 3,-0.1 -0.991 16.0-135.8-139.0 145.0 -5.0 -72.1 29.7 34 144 A W > - 0 0 30 -2,-0.3 3,-1.7 55,-0.2 6,-0.1 -0.830 19.2-163.8-101.0 96.5 -4.0 -74.5 26.9 35 145 A P T 3 S+ 0 0 13 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.739 79.5 66.5 -46.6 -37.8 -0.1 -74.2 26.7 36 146 A E T 3 S+ 0 0 112 -3,-0.1 5,-0.0 3,-0.1 -2,-0.0 0.649 71.4 114.8 -67.6 -18.1 0.2 -75.9 23.3 37 147 A S S X S- 0 0 7 -3,-1.7 3,-2.7 1,-0.1 355,-0.0 -0.282 73.0-127.1 -60.0 135.6 -1.7 -73.2 21.3 38 148 A P G > S+ 0 0 44 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.763 106.6 71.6 -51.9 -27.9 0.5 -71.3 18.7 39 149 A S G 3 S+ 0 0 3 1,-0.3 66,-2.4 65,-0.1 83,-0.1 0.676 98.5 47.9 -64.4 -18.0 -0.7 -68.1 20.4 40 150 A F G < S+ 0 0 1 -3,-2.7 28,-0.3 64,-0.2 -1,-0.3 0.003 80.7 151.9-113.8 28.1 1.5 -68.9 23.4 41 151 A D < - 0 0 86 -3,-1.5 -5,-0.0 1,-0.1 -4,-0.0 -0.182 35.0-152.9 -58.9 152.0 4.7 -69.7 21.5 42 152 A D > + 0 0 49 25,-0.1 3,-2.6 2,-0.1 -1,-0.1 0.743 41.9 134.8 -99.4 -33.1 8.0 -69.2 23.3 43 153 A E T 3 S+ 0 0 164 1,-0.3 3,-0.1 24,-0.0 2,-0.1 0.189 80.0 2.8 -28.5 130.1 10.6 -68.6 20.6 44 154 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.086 89.4 142.8 78.5 -23.0 12.9 -65.7 21.3 45 155 A F < - 0 0 37 -3,-2.6 -1,-0.2 1,-0.1 22,-0.1 -0.251 46.4-133.7 -57.8 129.3 11.5 -64.8 24.7 46 156 A S - 0 0 55 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.136 45.2 -72.8 -68.5 175.8 14.1 -63.6 27.3 47 157 A P - 0 0 81 0, 0.0 -1,-0.2 0, 0.0 19,-0.1 -0.452 65.5 -80.9 -74.8 151.3 13.8 -65.2 30.7 48 158 A P - 0 0 48 0, 0.0 -25,-0.1 0, 0.0 4,-0.1 0.049 62.1 -75.1 -46.3 151.7 10.9 -64.1 33.0 49 159 A P > - 0 0 17 0, 0.0 3,-1.9 0, 0.0 -26,-0.0 -0.236 40.1-130.2 -51.9 131.3 11.1 -60.8 35.1 50 160 A P T 3 S+ 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.804 106.6 57.5 -55.3 -29.3 13.5 -61.3 38.0 51 161 A K T 3 S+ 0 0 173 105,-0.0 2,-0.4 2,-0.0 0, 0.0 0.141 78.4 116.4 -92.1 21.9 10.8 -59.9 40.3 52 162 A W < + 0 0 34 -3,-1.9 104,-0.2 1,-0.1 103,-0.1 -0.732 37.4 179.6 -89.2 136.4 8.2 -62.4 39.4 53 163 A K + 0 0 128 102,-2.7 103,-0.2 -2,-0.4 -1,-0.1 0.466 41.7 108.4-116.2 -5.8 7.1 -64.7 42.2 54 164 A G - 0 0 12 101,-0.5 2,-0.3 98,-0.1 16,-0.1 0.095 47.7-159.9 -62.9-177.3 4.4 -66.9 40.7 55 165 A T - 0 0 78 2,-0.0 16,-1.9 0, 0.0 2,-0.4 -0.879 13.8-107.4-151.8-175.1 4.9 -70.6 39.9 56 166 A a B -c 71 0A 33 -2,-0.3 2,-1.4 14,-0.2 16,-0.2 -0.981 11.7-137.6-132.6 134.4 3.5 -73.5 37.9 57 167 A E + 0 0 63 14,-1.8 3,-0.3 -2,-0.4 13,-0.0 -0.707 40.1 158.0 -88.0 91.1 1.4 -76.6 38.7 58 168 A T + 0 0 84 -2,-1.4 3,-0.3 1,-0.2 4,-0.2 0.001 39.1 97.3-107.1 27.3 3.3 -79.1 36.6 59 169 A S S S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.413 83.9 51.1 -95.3 2.8 2.5 -82.4 38.2 60 170 A N S S- 0 0 68 -3,-0.3 -1,-0.2 2,-0.2 29,-0.2 -0.451 125.8 -68.9-141.7 68.4 -0.3 -83.2 35.8 61 171 A N S S+ 0 0 125 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.900 96.8 113.7 52.5 52.5 0.7 -82.9 32.1 62 172 A F - 0 0 10 -4,-0.2 2,-0.4 -27,-0.0 -1,-0.2 -0.988 41.0-171.6-148.9 143.7 1.1 -79.1 32.0 63 173 A R - 0 0 192 -2,-0.3 2,-0.2 -3,-0.1 5,-0.1 -0.950 14.0-144.2-148.5 124.4 4.2 -77.0 31.4 64 174 A a - 0 0 28 -2,-0.4 5,-0.2 5,-0.1 2,-0.2 -0.489 20.7-175.7 -78.8 151.4 4.9 -73.3 31.7 65 175 A N - 0 0 36 3,-1.2 -1,-0.1 -2,-0.2 -24,-0.1 -0.415 49.3 -74.7-126.0-155.6 7.3 -71.7 29.3 66 176 A R S S+ 0 0 104 -2,-0.2 3,-0.2 1,-0.1 -20,-0.1 0.418 131.8 47.0 -89.2 3.7 8.7 -68.1 29.0 67 177 A K S S+ 0 0 2 1,-0.3 62,-3.0 -27,-0.2 2,-1.1 0.785 117.4 40.1-102.2 -54.7 5.4 -66.8 27.6 68 178 A I E S+ d 0 129A 0 -28,-0.3 -3,-1.2 60,-0.2 -1,-0.3 -0.793 70.5 165.7 -98.0 91.5 3.1 -68.5 30.2 69 179 A I E + 0 0 12 -2,-1.1 2,-0.3 60,-1.0 61,-0.2 0.246 60.0 38.3 -92.0 10.1 5.1 -68.0 33.4 70 180 A G E + d 0 130A 2 59,-0.9 61,-2.3 -16,-0.1 2,-0.2 -0.978 52.2 162.6-160.2 147.0 2.4 -68.9 35.8 71 181 A A E +cd 56 131A 1 -16,-1.9 -14,-1.8 -2,-0.3 2,-0.3 -0.759 12.1 153.0-171.0 117.5 -0.5 -71.3 36.1 72 182 A R E - d 0 132A 40 59,-2.0 61,-2.9 -2,-0.2 2,-0.3 -0.947 24.1-143.9-144.5 162.1 -2.5 -72.4 39.2 73 183 A S E - d 0 133A 22 -2,-0.3 2,-0.4 59,-0.2 61,-0.2 -0.891 2.6-154.2-132.2 160.7 -5.9 -73.7 39.9 74 184 A Y + 0 0 17 59,-2.3 67,-0.2 -2,-0.3 70,-0.1 -0.936 35.0 139.0-141.5 115.8 -8.6 -73.3 42.6 75 185 A H + 0 0 32 -2,-0.4 -1,-0.1 2,-0.1 59,-0.1 -0.085 23.1 156.0-141.6 33.9 -11.3 -75.6 43.6 76 186 A I + 0 0 98 1,-0.1 -1,-0.1 65,-0.1 -2,-0.0 0.723 58.2 61.7 -30.9 -51.5 -11.0 -75.2 47.3 77 187 A G S S- 0 0 41 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.929 112.6 -24.1 -47.1 -94.5 -14.5 -76.2 48.3 78 188 A R S S- 0 0 195 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.357 88.9 -49.9-112.4-168.3 -15.2 -79.8 47.3 79 189 A P S S- 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.247 70.9 -76.3 -68.5 156.5 -13.8 -82.3 44.7 80 190 A I - 0 0 48 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.178 54.3-115.6 -52.0 135.8 -13.3 -81.6 41.0 81 191 A S > - 0 0 11 1,-0.1 3,-1.2 -3,-0.1 2,-0.2 -0.116 41.6 -72.6 -70.3 168.6 -16.5 -81.7 39.0 82 192 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.430 117.6 13.0 -66.0 129.3 -17.4 -84.2 36.2 83 193 A G T 3 S+ 0 0 72 1,-0.3 2,-0.1 -2,-0.2 -2,-0.1 0.246 104.8 111.7 88.9 -15.6 -15.5 -83.7 32.9 84 194 A D < - 0 0 25 -3,-1.2 -1,-0.3 8,-0.0 2,-0.3 -0.322 56.5-140.0 -85.5 172.6 -13.1 -81.4 34.5 85 195 A V - 0 0 42 4,-0.2 2,-0.1 2,-0.2 6,-0.1 -0.982 18.9-105.8-137.5 147.1 -9.4 -82.0 35.2 86 196 A N S S+ 0 0 109 -2,-0.3 3,-0.3 -6,-0.1 0, 0.0 -0.444 81.3 28.9 -68.7 141.0 -7.0 -81.3 38.0 87 197 A G S S- 0 0 6 1,-0.1 -2,-0.2 -2,-0.1 -13,-0.1 -0.348 104.0 -54.0 104.5 174.6 -4.5 -78.5 37.3 88 198 A P S S+ 0 0 2 0, 0.0 -55,-1.9 0, 0.0 -1,-0.1 0.552 86.3 124.7 -67.3 -17.5 -4.2 -75.3 35.2 89 199 A R B -k 33 0B 22 -3,-0.3 2,-0.7 -57,-0.2 -4,-0.2 -0.261 58.8-135.0 -57.6 128.9 -5.1 -77.0 31.9 90 200 A D + 0 0 0 -57,-0.7 -58,-0.2 1,-0.2 307,-0.1 -0.764 34.9 161.5 -88.5 111.7 -8.0 -75.4 30.0 91 201 A T S S+ 0 0 39 -2,-0.7 -1,-0.2 -60,-0.4 -59,-0.1 0.526 74.4 58.1-105.0 -12.2 -10.4 -78.1 28.8 92 202 A N S S- 0 0 71 -61,-0.4 -60,-0.1 305,-0.1 -2,-0.1 0.872 93.4-139.3 -83.4 -42.9 -13.3 -75.6 28.3 93 203 A G S > S+ 0 0 0 -62,-0.2 4,-2.1 300,-0.1 5,-0.2 0.179 76.0 103.0 102.1 -16.6 -11.5 -73.3 25.9 94 204 A H H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 82.9 44.7 -64.4 -48.9 -12.9 -70.1 27.4 95 205 A G H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.814 113.0 50.8 -65.4 -34.3 -9.7 -69.2 29.2 96 206 A T H > S+ 0 0 0 2,-0.2 4,-2.0 3,-0.1 296,-0.3 0.916 111.4 48.1 -68.3 -46.0 -7.5 -70.0 26.2 97 207 A H H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 295,-0.3 0.960 114.2 46.7 -58.4 -54.8 -9.6 -67.8 23.9 98 208 A T H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.891 110.6 51.6 -54.6 -49.0 -9.6 -64.9 26.4 99 209 A A H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 5,-0.4 0.886 111.1 46.8 -60.3 -42.8 -5.8 -65.1 27.1 100 210 A S H X S+ 0 0 4 -4,-2.0 4,-1.4 3,-0.2 -1,-0.2 0.822 107.4 58.1 -70.9 -30.4 -4.9 -65.0 23.4 101 211 A T H < S+ 0 0 0 -4,-1.8 22,-0.7 -5,-0.2 -2,-0.2 0.924 118.0 32.1 -63.0 -43.6 -7.3 -62.1 22.8 102 212 A A H < S+ 0 0 3 -4,-1.9 22,-1.6 20,-0.2 21,-0.9 0.913 145.2 1.5 -81.3 -45.8 -5.4 -60.1 25.4 103 213 A A H < S+ 0 0 1 -4,-3.1 -3,-0.2 19,-0.2 19,-0.2 0.298 85.0 136.9-129.9 10.6 -1.8 -61.3 25.0 104 214 A G < - 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