==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 04-JAN-12 3VCZ . COMPND 2 MOLECULE: ENDORIBONUCLEASE L-PSP; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO VULNIFICUS; . AUTHOR A.S.HALAVATY,G.MINASOV,E.V.FILIPPOVA,I.DUBROVSKA,J.WINSOR, . 381 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 3 0.8 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 . 27 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 0 0 0 0 0 0 0 0 0 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 3 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 . 6 0 9 0 0 0 3 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 0 0 0 1 2 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 2 A T 0 0 102 0, 0.0 2,-0.4 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 150.6 26.0 22.7 11.6 2 3 A K E -A 21 0A 129 19,-2.1 19,-2.6 61,-0.0 2,-0.3 -0.997 360.0-123.9-136.0 136.6 23.2 24.3 9.4 3 4 A V E -A 20 0A 58 -2,-0.4 2,-0.5 17,-0.2 17,-0.2 -0.581 25.4-142.3 -78.0 134.9 19.6 25.2 10.1 4 5 A L E +A 19 0A 4 15,-2.5 15,-0.8 -2,-0.3 14,-0.6 -0.855 24.3 172.1-101.9 133.8 17.1 23.6 7.8 5 6 A H + 0 0 124 -2,-0.5 2,-0.3 57,-0.2 6,-0.1 -0.998 4.6 163.5-143.5 137.4 14.0 25.6 6.7 6 7 A T > - 0 0 26 -2,-0.3 3,-1.0 4,-0.1 53,-0.1 -0.981 38.0-142.1-153.6 140.7 11.3 24.9 4.1 7 8 A D T 3 S+ 0 0 140 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 0.495 100.3 72.9 -78.1 -5.4 7.9 26.3 3.4 8 9 A S T 3 S+ 0 0 78 50,-0.1 -1,-0.2 2,-0.1 50,-0.2 0.301 94.5 56.9 -90.7 5.9 6.8 22.7 2.6 9 10 A A S < S- 0 0 2 -3,-1.0 -3,-0.1 49,-0.1 3,-0.1 -0.935 107.6 -77.4-131.0 153.2 6.9 21.8 6.4 10 11 A P - 0 0 22 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.207 58.3 -98.1 -53.9 139.7 4.9 23.5 9.1 11 12 A A - 0 0 65 1,-0.1 2,-1.2 -4,-0.1 -4,-0.1 -0.292 32.2-114.5 -61.4 138.6 6.3 26.9 10.2 12 13 A A + 0 0 37 -3,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.674 40.2 176.7 -77.3 98.5 8.5 26.8 13.4 13 14 A I + 0 0 141 -2,-1.2 -1,-0.1 2,-0.1 4,-0.1 -0.710 56.0 26.2-106.4 76.6 6.3 28.9 15.6 14 15 A G S S- 0 0 31 -2,-0.8 2,-2.0 2,-0.3 -2,-0.0 -0.952 112.8 -38.6 160.3-172.1 8.3 28.7 18.8 15 16 A P S S+ 0 0 9 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.404 105.3 72.4 -80.2 63.1 11.8 28.2 20.2 16 17 A Y - 0 0 59 -2,-2.0 2,-0.3 214,-0.2 -2,-0.3 -0.967 69.2-125.5-163.5 165.1 12.9 25.5 17.8 17 18 A I B -h 232 0B 19 214,-1.2 216,-0.5 -2,-0.3 -12,-0.1 -0.792 30.2-114.3-114.3 160.0 14.0 25.0 14.1 18 19 A Q S S- 0 0 4 -14,-0.6 11,-2.7 -2,-0.3 2,-0.3 0.857 85.7 -31.9 -64.4 -36.3 12.5 22.5 11.7 19 20 A G E -AB 4 28A 0 -15,-0.8 -15,-2.5 9,-0.3 2,-0.3 -0.971 55.5-127.8-171.2 173.0 15.6 20.5 11.4 20 21 A V E -AB 3 27A 0 7,-2.6 7,-2.3 -2,-0.3 2,-0.5 -0.984 7.8-146.4-139.1 145.5 19.4 20.6 11.5 21 22 A D E -AB 2 26A 17 -19,-2.6 -19,-2.1 -2,-0.3 5,-0.2 -0.970 12.0-178.0-114.8 116.9 22.1 19.3 9.1 22 23 A L - 0 0 29 3,-3.3 2,-0.7 -2,-0.5 4,-0.1 0.349 51.6-105.9 -95.3 3.2 25.2 18.2 10.9 23 24 A G S S+ 0 0 42 2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.612 113.3 32.1 107.7 -69.6 27.1 17.3 7.7 24 25 A N S S+ 0 0 75 -2,-0.7 103,-1.8 1,-0.1 2,-0.3 0.551 126.5 39.2 -96.4 -9.0 27.0 13.5 7.8 25 26 A M E - C 0 126A 13 101,-0.2 -3,-3.3 2,-0.0 2,-0.4 -0.994 62.6-153.7-144.4 147.1 23.6 13.4 9.5 26 27 A V E -BC 21 125A 0 99,-3.0 99,-2.6 -2,-0.3 2,-0.4 -0.973 10.0-167.2-121.8 133.2 20.3 15.3 9.4 27 28 A L E -BC 20 124A 7 -7,-2.3 -7,-2.6 -2,-0.4 2,-0.3 -0.990 7.4-156.3-121.9 127.8 17.9 15.4 12.4 28 29 A T E -B 19 0A 2 95,-2.4 -9,-0.3 -2,-0.4 2,-0.1 -0.699 19.5-117.7-102.2 155.2 14.4 16.7 12.1 29 30 A S - 0 0 0 -11,-2.7 94,-0.3 -2,-0.3 205,-0.2 -0.411 55.7 -75.5 -76.8 167.1 12.2 18.1 14.8 30 31 A G - 0 0 14 203,-1.8 2,-0.6 92,-0.1 92,-0.3 -0.513 52.8-142.4 -66.8 129.2 9.1 16.1 15.5 31 32 A Q B -D 121 0A 10 90,-3.1 90,-1.7 -2,-0.2 25,-0.1 -0.863 12.0-160.3-102.0 122.5 6.6 16.7 12.7 32 33 A I - 0 0 27 -2,-0.6 2,-2.0 88,-0.2 88,-0.2 -0.606 37.5 -96.4 -94.1 159.6 2.9 17.0 13.5 33 34 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 19,-0.1 -0.167 70.6 140.6 -73.6 45.5 0.2 16.5 10.8 34 35 A V - 0 0 9 -2,-2.0 7,-0.2 7,-0.2 3,-0.0 -0.758 53.4-130.2 -88.9 131.9 -0.3 20.2 10.0 35 36 A N >> - 0 0 52 5,-2.8 4,-3.7 -2,-0.4 3,-0.9 -0.758 12.8-150.7 -81.0 114.2 -0.8 20.9 6.3 36 37 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -25,-0.1 0.776 92.5 57.4 -60.1 -25.5 1.6 23.8 5.6 37 38 A A T 34 S+ 0 0 92 1,-0.1 -29,-0.0 -29,-0.1 -2,-0.0 0.812 126.7 14.3 -75.0 -30.1 -0.6 25.1 2.8 38 39 A T T <4 S- 0 0 84 -3,-0.9 -1,-0.1 2,-0.2 3,-0.1 0.616 89.9-128.0-117.8 -21.6 -3.7 25.6 5.1 39 40 A G < + 0 0 40 -4,-3.7 2,-0.2 1,-0.3 -2,-0.0 0.558 69.8 125.7 80.1 9.9 -2.4 25.3 8.6 40 41 A E - 0 0 131 -5,-0.4 -5,-2.8 -6,-0.0 -1,-0.3 -0.666 57.4-136.0-103.0 156.6 -5.1 22.7 9.3 41 42 A V - 0 0 49 -2,-0.2 -7,-0.2 -7,-0.2 7,-0.1 -0.944 27.2-119.8-110.2 127.0 -4.9 19.2 10.6 42 43 A P - 0 0 34 0, 0.0 6,-0.1 0, 0.0 9,-0.0 -0.346 16.9-130.7 -65.4 149.9 -6.9 16.5 8.8 43 44 A A S S+ 0 0 103 4,-0.1 2,-0.2 5,-0.0 -2,-0.0 0.900 81.8 71.2 -69.2 -45.0 -9.5 14.7 10.9 44 45 A D S > S- 0 0 88 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.489 78.3-130.3 -80.4 147.4 -8.7 11.0 10.1 45 46 A I H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.809 105.7 58.8 -63.3 -33.5 -5.5 9.3 11.3 46 47 A A H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 109.1 44.6 -61.8 -46.6 -4.6 7.9 7.8 47 48 A A H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 113.4 51.0 -63.9 -40.5 -4.5 11.5 6.5 48 49 A Q H X S+ 0 0 20 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.928 108.2 52.0 -63.8 -44.3 -2.5 12.7 9.6 49 50 A A H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.924 113.1 43.9 -58.3 -45.9 0.0 9.9 9.2 50 51 A R H X S+ 0 0 72 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.889 112.4 53.3 -67.7 -36.7 0.6 10.8 5.6 51 52 A Q H X S+ 0 0 33 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.924 110.5 46.4 -64.9 -45.5 0.8 14.5 6.4 52 53 A S H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.913 112.9 50.3 -63.0 -42.1 3.4 14.0 9.1 53 54 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.908 110.2 49.3 -62.5 -42.0 5.4 11.8 6.8 54 55 A D H X S+ 0 0 43 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.866 110.6 51.5 -64.2 -35.9 5.3 14.4 4.0 55 56 A N H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.893 109.6 48.9 -67.6 -40.8 6.4 17.0 6.5 56 57 A V H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.945 110.9 51.2 -61.5 -48.6 9.4 14.8 7.6 57 58 A K H X S+ 0 0 45 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.894 106.8 54.1 -54.3 -44.5 10.2 14.4 3.9 58 59 A A H X S+ 0 0 7 -4,-2.1 4,-1.2 -50,-0.2 -1,-0.2 0.893 110.1 45.9 -60.0 -41.9 10.1 18.2 3.3 59 60 A V H < S+ 0 0 0 -4,-1.7 4,-0.5 2,-0.2 3,-0.3 0.934 114.6 47.9 -67.8 -45.0 12.6 18.8 6.1 60 61 A V H ><>S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 5,-1.1 0.923 110.8 51.1 -60.9 -44.4 14.9 16.0 4.9 61 62 A E H ><5S+ 0 0 94 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.780 96.9 69.3 -65.6 -24.0 14.7 17.3 1.3 62 63 A A T 3<5S+ 0 0 38 -4,-1.2 -1,-0.3 -3,-0.3 -57,-0.2 0.697 98.6 51.2 -67.0 -17.4 15.6 20.8 2.5 63 64 A S T < 5S- 0 0 16 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.550 124.5-103.1 -94.0 -11.2 19.1 19.4 3.3 64 65 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 1,-0.4 -2,-0.1 0.259 87.5 114.8 105.8 -9.9 19.5 17.9 -0.2 65 66 A L < - 0 0 11 -5,-1.1 -1,-0.4 1,-0.1 2,-0.2 -0.245 54.5-136.0 -83.9 176.7 18.8 14.4 1.0 66 67 A T > - 0 0 73 -3,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.780 32.1 -92.7-129.2 173.1 15.9 12.1 0.1 67 68 A V G > S+ 0 0 5 1,-0.3 3,-1.8 -2,-0.2 30,-0.0 0.858 122.0 63.8 -53.6 -37.1 13.4 9.8 1.8 68 69 A G G 3 S+ 0 0 41 1,-0.3 -1,-0.3 29,-0.2 32,-0.2 0.604 94.0 61.2 -63.4 -14.8 15.8 6.9 0.9 69 70 A D G < S+ 0 0 53 -3,-2.1 57,-2.3 30,-0.0 2,-0.3 0.480 76.5 110.6 -90.1 -7.2 18.5 8.5 3.2 70 71 A I E < +E 125 0A 4 -3,-1.8 55,-0.3 -4,-0.3 3,-0.1 -0.569 36.8 169.7 -71.4 126.8 16.2 8.2 6.3 71 72 A V E + 0 0 5 53,-2.5 33,-2.9 1,-0.3 2,-0.3 0.601 60.6 20.0-114.2 -18.8 17.7 5.5 8.6 72 73 A K E +Ef 124 104A 16 52,-1.4 52,-2.5 31,-0.2 -1,-0.3 -0.982 58.2 178.3-154.3 139.0 15.7 5.9 11.8 73 74 A M E -Ef 123 105A 1 31,-1.4 33,-1.3 -2,-0.3 2,-0.5 -0.985 17.6-147.9-141.4 149.6 12.4 7.3 12.8 74 75 A T E -Ef 122 106A 9 48,-2.5 48,-1.9 -2,-0.3 2,-0.6 -0.991 14.6-160.6-119.4 126.0 10.5 7.5 16.0 75 76 A V E -Ef 121 107A 0 31,-3.0 33,-1.9 -2,-0.5 2,-0.5 -0.948 4.6-169.7-111.9 118.6 6.7 7.5 15.7 76 77 A F E -Ef 120 108A 5 44,-3.0 44,-2.0 -2,-0.6 2,-0.3 -0.930 11.9-176.2-106.3 127.3 4.6 8.8 18.6 77 78 A V E -Ef 119 109A 3 31,-2.4 33,-2.9 -2,-0.5 42,-0.2 -0.878 31.9-141.8-124.3 158.2 0.9 8.1 18.4 78 79 A K S S+ 0 0 92 40,-2.1 2,-0.3 -2,-0.3 41,-0.1 0.733 93.7 23.7 -85.9 -22.5 -2.1 9.0 20.6 79 80 A D > - 0 0 56 39,-0.5 3,-2.1 29,-0.1 -1,-0.3 -0.858 55.5-161.4-151.4 110.7 -3.8 5.7 20.1 80 81 A L G > S+ 0 0 17 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.621 89.0 77.1 -64.2 -14.0 -2.2 2.3 19.2 81 82 A N G 3 S+ 0 0 118 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.737 93.7 53.7 -67.2 -16.9 -5.7 1.0 18.2 82 83 A D G <> S+ 0 0 54 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.327 79.0 103.8 -93.6 8.3 -5.0 3.1 15.0 83 84 A F H <> S+ 0 0 30 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.818 71.2 58.3 -65.8 -28.0 -1.7 1.3 14.5 84 85 A G H > S+ 0 0 57 -3,-0.4 4,-2.0 -4,-0.2 -1,-0.2 0.947 111.7 43.3 -63.0 -44.7 -2.9 -0.9 11.6 85 86 A T H > S+ 0 0 50 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.916 114.4 49.6 -65.6 -44.5 -3.9 2.2 9.7 86 87 A V H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.915 111.9 47.6 -62.8 -45.6 -0.6 4.1 10.6 87 88 A N H X S+ 0 0 40 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.883 110.6 53.7 -61.3 -38.9 1.6 1.1 9.6 88 89 A E H X S+ 0 0 117 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.952 114.1 39.8 -60.1 -51.7 -0.4 0.8 6.3 89 90 A V H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 115.8 52.8 -64.1 -41.3 0.2 4.5 5.5 90 91 A Y H X S+ 0 0 1 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.934 112.8 42.5 -60.9 -50.7 3.8 4.3 6.8 91 92 A G H X S+ 0 0 7 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.911 113.3 53.2 -64.0 -43.2 4.7 1.3 4.6 92 93 A N H X S+ 0 0 71 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.904 106.7 53.9 -57.9 -42.9 2.9 2.7 1.6 93 94 A F H X S+ 0 0 1 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.937 112.9 40.6 -58.4 -52.3 4.9 6.0 1.9 94 95 A F H <>S+ 0 0 1 -4,-1.9 5,-1.5 2,-0.2 3,-0.3 0.893 114.3 53.5 -66.5 -37.9 8.3 4.3 1.9 95 96 A D H ><5S+ 0 0 88 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.930 107.1 51.6 -61.2 -44.7 7.2 1.8 -0.9 96 97 A E H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.736 106.2 55.5 -64.1 -24.7 6.0 4.7 -3.1 97 98 A H T 3<5S- 0 0 63 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.400 107.6-129.7 -87.8 2.9 9.5 6.3 -2.6 98 99 A N T < 5 - 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