==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 07-MAY-12 4F2E . COMPND 2 MOLECULE: CUPA; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.FU,C.E.DANN III,D.P.GIEDROC . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 29.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 13 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.1 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+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 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 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 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 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 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 26 A G 0 0 117 0, 0.0 2,-0.2 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 159.2 22.5 33.0 -2.6 2 27 A A - 0 0 34 1,-0.1 2,-0.1 94,-0.0 28,-0.0 -0.628 360.0-113.7 -93.8 150.0 23.1 29.3 -2.2 3 28 A M + 0 0 159 -2,-0.2 2,-0.2 26,-0.0 93,-0.1 -0.430 69.3 70.9 -72.9 153.5 22.2 26.5 -4.6 4 29 A G S S- 0 0 37 -2,-0.1 2,-0.5 26,-0.1 25,-0.2 -0.564 88.5 -42.9 126.7 172.1 19.6 24.0 -3.5 5 30 A Q E -a 29 0A 111 23,-2.8 25,-2.7 -2,-0.2 2,-0.2 -0.615 56.0-140.0 -78.4 119.1 15.8 23.7 -2.8 6 31 A K E -a 30 0A 134 -2,-0.5 25,-0.2 23,-0.2 -1,-0.0 -0.517 17.6-115.7 -76.2 141.8 14.4 26.6 -0.9 7 32 A A - 0 0 10 23,-2.3 2,-0.5 -2,-0.2 9,-0.2 -0.337 32.2-108.7 -65.8 156.6 11.9 26.1 1.8 8 33 A Q E -F 15 0B 111 7,-3.2 7,-2.3 2,-0.0 2,-0.5 -0.818 28.2-137.5 -90.1 127.5 8.4 27.5 1.3 9 34 A Q E +F 14 0B 77 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.737 41.8 138.9 -85.7 128.0 7.6 30.5 3.5 10 35 A K E > -F 13 0B 69 3,-2.9 3,-1.7 -2,-0.5 -2,-0.0 -0.899 54.3 -2.3-170.9 142.2 4.1 30.5 5.0 11 36 A N T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.801 125.4 -47.0 47.0 44.2 2.1 31.3 8.1 12 37 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 23,-0.0 2,-0.3 0.589 127.5 65.7 80.4 10.7 5.0 32.2 10.4 13 38 A Y E < S-F 10 0B 66 -3,-1.7 -3,-2.9 22,-0.1 2,-0.3 -0.867 71.4-125.2-144.5-179.0 7.1 29.2 9.4 14 39 A Q E -Fg 9 37B 0 22,-2.1 24,-2.6 -2,-0.3 2,-0.4 -0.988 23.9-164.2-133.5 145.8 9.0 27.7 6.5 15 40 A E E +Fg 8 38B 27 -7,-2.3 -7,-3.2 -2,-0.3 2,-0.3 -0.982 12.3 176.3-136.6 139.6 8.6 24.2 5.2 16 41 A I E - g 0 39B 9 22,-2.4 24,-2.8 -2,-0.4 2,-0.5 -0.997 21.0-139.0-140.8 142.6 10.4 21.8 2.9 17 42 A R E - g 0 40B 113 -2,-0.3 2,-0.5 22,-0.2 24,-0.2 -0.860 15.1-168.7-104.5 132.0 9.6 18.2 2.0 18 43 A V E - g 0 41B 2 22,-3.1 24,-2.6 -2,-0.5 2,-0.4 -0.981 12.7-144.6-123.0 123.0 12.4 15.6 1.8 19 44 A E E -Hg 25 42B 68 6,-2.9 6,-2.1 -2,-0.5 2,-0.9 -0.734 10.1-144.0 -85.1 130.2 11.8 12.2 0.3 20 45 A V E +Hg 24 43B 0 22,-2.8 24,-2.3 -2,-0.4 25,-0.7 -0.838 47.8 132.4 -96.5 101.3 13.7 9.3 2.0 21 46 A M S S- 0 0 90 2,-1.8 -2,-0.1 -2,-0.9 22,-0.0 -0.847 85.9 -24.6-153.6 108.0 14.6 7.0 -0.8 22 47 A G S S- 0 0 58 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 0.872 137.9 -29.7 53.7 39.4 18.2 5.6 -1.2 23 48 A G S S- 0 0 6 68,-0.1 -2,-1.8 22,-0.1 2,-0.4 -0.913 105.9 -43.7 116.5-151.0 19.2 8.7 0.7 24 49 A Y E -H 20 0B 6 68,-0.4 -4,-0.2 -2,-0.3 3,-0.1 -0.960 48.2-136.7-125.8 134.0 17.4 12.1 0.7 25 50 A T E S+H 19 0B 81 -6,-2.1 -6,-2.9 -2,-0.4 2,-0.1 -0.974 96.9 28.3-138.1 125.8 16.0 14.1 -2.2 26 51 A P S S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.569 77.4 177.2 -71.1 149.3 16.4 16.9 -2.3 27 52 A E + 0 0 121 1,-0.2 67,-2.7 -2,-0.1 2,-0.4 0.305 69.1 63.2-102.1 6.3 19.7 16.5 -0.4 28 53 A L E + b 0 94A 65 65,-0.2 -23,-2.8 67,-0.0 2,-0.3 -0.940 69.1 173.3-132.6 108.6 20.5 20.2 -0.7 29 54 A I E -ab 5 95A 0 65,-2.5 67,-3.1 -2,-0.4 2,-0.5 -0.887 19.4-151.1-123.2 149.8 18.1 22.5 1.1 30 55 A V E -ab 6 96A 4 -25,-2.7 -23,-2.3 -2,-0.3 2,-0.3 -0.972 16.1-177.7-127.7 120.1 18.1 26.2 1.7 31 56 A L E - b 0 97A 2 65,-3.2 67,-2.5 -2,-0.5 2,-0.4 -0.808 27.9-112.7-116.8 155.3 16.3 27.9 4.7 32 57 A K > - 0 0 113 -2,-0.3 3,-1.4 65,-0.2 -18,-0.1 -0.714 40.1-107.1 -85.5 134.0 15.9 31.5 5.9 33 58 A K T 3 S+ 0 0 103 65,-2.7 44,-0.2 -2,-0.4 -1,-0.1 -0.292 97.3 10.2 -57.7 137.1 17.6 32.5 9.1 34 59 A S T 3 S+ 0 0 53 42,-3.5 -1,-0.2 1,-0.2 43,-0.1 0.449 94.4 119.5 77.6 2.9 15.4 32.9 12.2 35 60 A V S < S- 0 0 34 -3,-1.4 -1,-0.2 41,-0.3 -22,-0.1 -0.891 72.3-111.3-103.8 124.2 12.3 31.4 10.7 36 61 A P - 0 0 58 0, 0.0 -22,-2.1 0, 0.0 2,-0.3 -0.263 42.6-147.6 -52.3 133.7 10.8 28.4 12.4 37 62 A A E -gI 14 74B 4 37,-3.2 37,-1.2 -24,-0.2 2,-0.5 -0.848 22.3-162.7-117.9 144.4 11.3 25.4 10.1 38 63 A R E -gI 15 73B 72 -24,-2.6 -22,-2.4 -2,-0.3 2,-0.7 -0.985 8.4-172.2-117.5 114.2 9.4 22.2 9.3 39 64 A I E -gI 16 72B 0 33,-2.8 33,-2.8 -2,-0.5 2,-0.8 -0.927 14.7-156.5-108.2 105.7 11.5 19.6 7.4 40 65 A V E -gI 17 71B 0 -24,-2.8 -22,-3.1 -2,-0.7 2,-0.6 -0.753 4.4-161.3 -95.4 108.4 9.1 16.9 6.5 41 66 A F E -gI 18 70B 1 29,-3.0 29,-2.3 -2,-0.8 2,-0.7 -0.787 1.9-166.0 -91.6 118.4 10.7 13.5 5.9 42 67 A D E -gI 19 69B 36 -24,-2.6 -22,-2.8 -2,-0.6 2,-0.6 -0.904 15.3-147.7-104.7 108.2 8.5 11.2 3.9 43 68 A R E +g 20 0B 9 25,-2.4 24,-1.5 -2,-0.7 25,-0.1 -0.671 36.8 151.1 -89.1 120.0 10.0 7.7 4.3 44 69 A K + 0 0 97 -24,-2.3 -23,-0.2 -2,-0.6 -1,-0.1 0.351 55.0 78.6-123.1 -0.1 9.6 5.4 1.3 45 70 A D - 0 0 31 -25,-0.7 5,-0.1 5,-0.1 -1,-0.1 -0.957 58.3-162.5-119.0 117.0 12.7 3.2 1.7 46 71 A P + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 0.421 44.7 132.2 -82.0 2.4 12.5 0.4 4.3 47 72 A S > - 0 0 46 1,-0.2 3,-2.3 3,-0.1 -2,-0.1 -0.298 62.5-133.4 -55.9 131.3 16.3 -0.1 4.5 48 73 A P G > S+ 0 0 98 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.755 103.7 74.7 -56.3 -23.3 17.5 -0.2 8.1 49 74 A C G 3 S+ 0 0 22 1,-0.3 39,-0.5 2,-0.1 3,-0.3 0.795 98.8 45.4 -56.8 -27.2 20.2 2.2 7.0 50 75 A L G < S+ 0 0 2 -3,-2.3 -1,-0.3 1,-0.2 14,-0.1 0.115 76.6 112.2-107.7 21.3 17.5 4.9 6.9 51 76 A D S < S+ 0 0 60 -3,-1.7 13,-2.9 12,-0.1 2,-0.3 0.768 78.4 37.3 -66.1 -28.5 15.8 4.2 10.3 52 77 A Q E -C 63 0A 75 -3,-0.3 35,-0.8 11,-0.3 2,-0.4 -0.906 63.9-148.4-128.7 154.5 17.0 7.4 11.8 53 78 A I E -CD 62 86A 0 9,-2.6 9,-2.3 -2,-0.3 2,-0.4 -0.970 18.0-166.4-119.1 138.1 17.5 11.1 10.9 54 79 A V E +CD 61 85A 36 31,-2.8 31,-2.0 -2,-0.4 7,-0.2 -0.990 21.8 179.2-131.7 126.8 20.2 13.2 12.5 55 80 A F E >>> -C 60 0A 0 5,-2.3 5,-1.6 -2,-0.4 3,-1.4 -0.854 15.3-173.7-117.4 91.3 20.8 17.0 12.6 56 81 A P T 345S+ 0 0 75 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.767 78.3 55.7 -63.9 -29.2 23.9 17.1 14.7 57 82 A D T 345S+ 0 0 93 26,-0.4 27,-0.1 1,-0.2 25,-0.0 0.717 114.3 40.3 -73.2 -20.4 24.1 20.9 15.0 58 83 A F T <45S- 0 0 61 -3,-1.4 -1,-0.2 2,-0.1 17,-0.1 0.399 111.0-113.3-111.6 -0.2 20.6 21.1 16.3 59 84 A G T <5 + 0 0 62 -4,-0.7 2,-0.5 -3,-0.3 -2,-0.1 0.615 66.7 143.1 79.8 14.0 20.6 18.1 18.7 60 85 A V E < +C 55 0A 32 -5,-1.6 -5,-2.3 2,-0.0 -1,-0.2 -0.749 12.7 152.5 -93.6 128.7 18.1 16.1 16.7 61 86 A H E +C 54 0A 151 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.765 23.5 156.9-150.3 105.9 18.3 12.3 16.3 62 87 A A E -C 53 0A 16 -9,-2.3 -9,-2.6 -2,-0.2 2,-0.2 -0.911 42.3-102.4-136.1 154.7 14.9 10.6 15.7 63 88 A N E -C 52 0A 113 -2,-0.3 -11,-0.3 -11,-0.2 -12,-0.1 -0.552 25.9-148.2 -75.8 137.5 13.3 7.5 14.3 64 89 A L - 0 0 4 -13,-2.9 2,-0.2 -2,-0.2 6,-0.1 -0.931 16.5-137.1-105.9 112.3 11.6 7.8 10.8 65 90 A P > - 0 0 52 0, 0.0 3,-1.5 0, 0.0 -22,-0.4 -0.488 27.2-107.6 -70.1 134.7 8.7 5.4 10.6 66 91 A M T 3 S+ 0 0 89 1,-0.2 -22,-0.1 -2,-0.2 3,-0.1 -0.342 100.0 10.7 -60.6 136.3 8.5 3.5 7.3 67 92 A G T 3 S+ 0 0 55 -24,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.614 114.8 93.6 73.2 13.0 5.7 4.7 4.9 68 93 A E S < S- 0 0 116 -3,-1.5 -25,-2.4 -25,-0.1 2,-0.3 -0.853 74.7-108.4-132.9 166.8 5.0 7.7 7.0 69 94 A E E -I 42 0B 96 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.2 -0.742 27.6-174.4 -91.8 143.1 5.9 11.4 7.4 70 95 A Y E -I 41 0B 85 -29,-2.3 -29,-3.0 -2,-0.3 2,-0.6 -0.985 14.5-143.3-137.3 131.4 8.0 12.7 10.2 71 96 A V E -I 40 0B 34 -2,-0.4 2,-0.6 -31,-0.2 -31,-0.2 -0.825 4.1-158.1-103.0 120.4 8.7 16.4 10.8 72 97 A V E -I 39 0B 3 -33,-2.8 -33,-2.8 -2,-0.6 2,-0.5 -0.834 16.3-160.3 -87.2 123.1 12.0 17.7 12.1 73 98 A E E +I 38 0B 144 -2,-0.6 2,-0.3 -35,-0.2 -35,-0.2 -0.938 22.8 150.2-111.2 123.6 11.4 21.1 13.6 74 99 A I E -I 37 0B 14 -37,-1.2 -37,-3.2 -2,-0.5 -2,-0.0 -0.963 36.2-146.2-141.3 157.5 14.3 23.6 14.1 75 100 A T - 0 0 68 -2,-0.3 2,-0.8 -39,-0.2 -42,-0.1 -0.851 21.2-152.2-125.5 95.7 14.6 27.3 14.2 76 101 A P + 0 0 1 0, 0.0 -42,-3.5 0, 0.0 -41,-0.3 -0.560 21.2 172.7 -76.3 107.8 18.0 28.2 12.7 77 102 A E + 0 0 112 -2,-0.8 2,-0.4 -44,-0.2 -44,-0.1 0.442 61.5 66.3 -92.6 -2.0 19.3 31.4 14.2 78 103 A Q S S- 0 0 132 2,-0.0 19,-0.1 20,-0.0 2,-0.1 -0.978 78.0-130.1-125.9 129.9 22.7 31.2 12.6 79 104 A A + 0 0 50 -2,-0.4 2,-0.3 -46,-0.1 19,-0.2 -0.387 60.3 80.7 -67.1 153.0 23.6 31.5 8.9 80 105 A G E S- E 0 97A 30 17,-2.3 17,-2.8 -2,-0.1 2,-0.5 -0.919 79.2 -54.9 146.2-168.4 25.9 28.8 7.6 81 106 A E E - E 0 96A 77 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.942 47.0-176.4-113.0 128.8 26.1 25.2 6.3 82 107 A F E - E 0 95A 22 13,-3.0 13,-3.4 -2,-0.5 2,-0.2 -0.975 15.7-134.0-130.8 138.5 24.7 22.4 8.4 83 108 A S E - E 0 94A 60 -2,-0.4 -26,-0.4 11,-0.2 2,-0.3 -0.488 15.8-173.5 -88.4 154.0 24.8 18.6 7.8 84 109 A F E + E 0 93A 1 9,-2.1 9,-2.7 -2,-0.2 2,-0.3 -0.969 15.1 157.3-136.8 159.2 22.1 16.0 8.2 85 110 A A E -DE 54 92A 8 -31,-2.0 -31,-2.8 -2,-0.3 7,-0.2 -0.970 41.8 -81.1-163.6 169.7 22.5 12.3 7.8 86 111 A C E > -D 53 0A 2 5,-1.8 3,-1.7 -2,-0.3 -33,-0.2 -0.245 57.9 -91.7 -73.2 174.0 21.0 8.9 8.7 87 112 A G T 3 S+ 0 0 36 -35,-0.8 -34,-0.1 1,-0.3 -37,-0.1 0.616 128.1 50.7 -64.8 -12.7 21.7 7.4 12.1 88 113 A M T 3 S- 0 0 115 -39,-0.5 -1,-0.3 -36,-0.2 -38,-0.1 0.425 106.9-123.0-101.5 -3.8 24.7 5.6 10.6 89 114 A N S < S+ 0 0 116 -3,-1.7 -2,-0.1 2,-0.2 3,-0.1 0.861 84.6 110.6 59.4 36.7 26.3 8.7 9.0 90 115 A M + 0 0 103 1,-0.2 2,-0.4 -41,-0.2 -40,-0.1 0.730 67.3 50.0-106.5 -37.0 26.2 6.8 5.7 91 116 A M S S- 0 0 56 -42,-0.2 -5,-1.8 -68,-0.1 2,-0.3 -0.910 79.3-164.5-108.0 137.8 23.5 8.8 3.8 92 117 A H E + E 0 85A 95 -2,-0.4 -68,-0.4 -7,-0.2 2,-0.3 -0.839 22.1 175.9-132.4 155.7 23.9 12.6 3.8 93 118 A G E - E 0 84A 10 -9,-2.7 -9,-2.1 -2,-0.3 2,-0.4 -0.945 19.5-138.1-144.9 165.9 22.3 16.0 3.2 94 119 A K E -bE 28 83A 35 -67,-2.7 -65,-2.5 -2,-0.3 2,-0.5 -0.996 8.7-162.5-130.7 135.3 23.3 19.6 3.5 95 120 A M E -bE 29 82A 0 -13,-3.4 -13,-3.0 -2,-0.4 2,-0.5 -0.971 5.5-161.4-118.3 121.0 21.2 22.5 4.8 96 121 A I E -bE 30 81A 34 -67,-3.1 -65,-3.2 -2,-0.5 2,-0.5 -0.880 2.2-162.2-100.5 131.3 22.2 26.1 4.1 97 122 A V E bE 31 80A 2 -17,-2.8 -17,-2.3 -2,-0.5 -65,-0.2 -0.963 360.0 360.0-111.6 128.1 20.8 28.8 6.2 98 123 A E 0 0 106 -67,-2.5 -65,-2.7 -2,-0.5 -2,-0.0 -0.887 360.0 360.0-141.0 360.0 21.0 32.3 4.8