==== 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 METAL BINDING PROTEIN 23-AUG-04 1X9L . COMPND 2 MOLECULE: CUI-DR1885; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,E.KATSARI,N.KATSAROS,K.KUB . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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-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 . 4 2.7 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 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 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 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 . 3 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 1 A M 0 0 196 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.0 -51.3 -2.2 15.5 2 2 A G - 0 0 67 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.830 360.0 -8.1 100.4 79.7 -51.8 -5.3 13.2 3 3 A H S S+ 0 0 109 3,-0.0 2,-1.7 0, 0.0 5,-0.3 -0.765 109.8 116.2 -95.5 24.8 -48.9 -5.9 11.8 4 4 A T + 0 0 83 3,-0.1 5,-0.2 5,-0.0 3,-0.1 -0.516 48.2 145.6 -58.6 85.1 -47.6 -2.6 13.2 5 5 A M - 0 0 97 -2,-1.7 2,-0.2 1,-0.6 4,-0.0 0.186 69.8-118.5 -62.1-158.3 -44.8 -3.9 15.5 6 6 A P S S+ 0 0 104 0, 0.0 2,-1.2 0, 0.0 -1,-0.6 0.568 107.9 71.6 51.6-167.9 -42.0 -3.3 16.6 7 7 A A S S- 0 0 49 -2,-0.2 -3,-0.1 -3,-0.1 2,-0.0 -0.246 105.7-118.5 61.9 -94.4 -40.7 -6.5 15.0 8 8 A H - 0 0 101 -2,-1.2 -3,-0.5 -5,-0.3 -1,-0.1 -0.604 10.0-122.5-136.8 -58.5 -41.0 -4.9 11.6 9 9 A T S S+ 0 0 80 -5,-0.2 6,-0.1 -2,-0.0 -5,-0.0 -0.627 97.1 109.5 -13.8 -76.2 -43.2 -6.7 10.1 10 10 A P + 0 0 77 0, 0.0 2,-1.1 0, 0.0 -2,-0.2 -0.437 37.4 101.0 61.6-109.1 -39.9 -6.5 8.2 11 11 A P + 0 0 70 0, 0.0 3,-0.2 0, 0.0 -3,-0.1 0.104 35.7 102.4 -23.3 66.3 -38.3 -10.1 8.6 12 12 A A S S- 0 0 99 1,-2.2 2,-0.1 -2,-1.1 0, 0.0 -0.632 125.9 -80.4-103.6 52.2 -38.9 -11.9 5.5 13 13 A Q S S+ 0 0 115 3,-0.2 -1,-2.2 1,-0.1 4,-0.0 -0.366 108.7 110.9 59.5-164.1 -35.4 -10.6 5.8 14 14 A T S S+ 0 0 114 -3,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.660 74.6 56.3 71.5 26.4 -35.5 -6.9 4.8 15 15 A A S > S- 0 0 24 1,-0.6 3,-2.1 -5,-0.1 6,-0.1 -0.324 105.6-168.1-135.1 51.0 -34.8 -5.2 8.1 16 16 A P T 3 - 0 0 44 0, 0.0 -1,-0.6 0, 0.0 -3,-0.2 0.048 47.8 -48.1 -28.8 -91.6 -32.2 -7.4 7.5 17 17 A A T 3> S+ 0 0 46 -3,-0.1 4,-1.3 -4,-0.0 2,-0.4 -0.957 85.7 179.6 55.9 34.3 -30.0 -8.2 9.8 18 18 A A T <4 + 0 0 50 -3,-2.1 4,-0.0 1,-0.3 0, 0.0 -0.885 49.5 110.7-130.2 106.6 -29.9 -4.4 10.2 19 19 A Q T 4 S- 0 0 149 -2,-0.4 -1,-0.3 0, 0.0 3,-0.1 -0.471 117.9 -22.5 93.0 -64.5 -27.8 -4.0 12.5 20 20 A K T >4 S+ 0 0 114 1,-0.4 3,-1.4 -3,-0.3 -2,-0.2 0.047 105.1 118.5 165.0 -44.6 -25.7 -2.5 9.7 21 21 A A T 3< + 0 0 41 -4,-1.3 -1,-0.4 1,-0.3 0, 0.0 -0.221 59.3 66.2 -61.1 156.2 -27.3 -4.0 6.5 22 22 A G T 3 S- 0 0 78 -3,-0.1 2,-2.2 1,-0.0 -1,-0.3 -0.073 106.2-133.9 90.7 -22.9 -28.7 -1.3 4.4 23 23 A A < - 0 0 52 -3,-1.4 2,-2.4 1,-0.1 -2,-0.1 -0.320 17.7-156.1 80.8 -54.9 -24.8 -0.9 4.4 24 24 A Q - 0 0 174 -2,-2.2 2,-0.2 2,-0.1 -1,-0.1 -0.546 69.0 -61.6 74.8 -65.0 -24.8 2.9 5.0 25 25 A A - 0 0 48 -2,-2.4 30,-0.2 29,-0.1 -2,-0.1 -0.483 47.0-136.9 162.5 136.6 -21.4 2.5 3.4 26 26 A L B -A 54 0A 56 28,-1.8 28,-0.7 -2,-0.2 4,-0.1 -0.961 37.6-110.5-101.8 122.2 -18.4 0.5 4.6 27 27 A P - 0 0 88 0, 0.0 2,-2.7 0, 0.0 25,-0.1 -0.389 41.0-111.9 -58.8 129.4 -15.2 2.6 4.1 28 28 A V S S+ 0 0 12 1,-0.2 25,-0.1 2,-0.1 24,-0.1 -0.181 99.5 67.1 -84.1 52.6 -13.7 0.7 1.3 29 29 A T + 0 0 26 -2,-2.7 2,-2.4 22,-0.2 -1,-0.2 -0.251 44.8 161.5-161.7 57.4 -10.6 -0.8 3.0 30 30 A V + 0 0 91 22,-0.7 2,-0.3 -4,-0.1 -2,-0.1 -0.436 44.8 129.1 -81.4 64.7 -11.7 -3.3 5.7 31 31 A Q - 0 0 59 -2,-2.4 2,-0.8 18,-0.0 20,-0.1 -0.930 63.6-138.3-128.9 146.5 -8.2 -4.7 5.6 32 32 A G - 0 0 41 -2,-0.3 108,-0.1 106,-0.1 -2,-0.1 -0.861 37.4-140.8-102.3 90.6 -5.4 -5.5 8.0 33 33 A A - 0 0 2 -2,-0.8 108,-2.6 106,-0.1 2,-0.3 -0.173 15.9-163.0 -52.4 142.5 -2.3 -4.2 6.1 34 34 A T E -Bc 48 141B 23 14,-0.8 14,-2.7 106,-0.3 2,-0.4 -0.967 1.2-158.5-125.2 146.1 0.9 -6.2 6.2 35 35 A V E -Bc 47 142B 3 106,-2.6 108,-2.1 -2,-0.3 2,-0.8 -0.975 24.2-114.2-125.3 138.6 4.4 -4.8 5.3 36 36 A A - 0 0 0 10,-1.9 108,-0.2 -2,-0.4 10,-0.1 -0.629 22.4-132.9 -82.3 110.6 7.3 -6.9 4.2 37 37 A A S S- 0 0 6 -2,-0.8 82,-0.0 1,-0.2 -1,-0.0 -0.411 73.4 -39.3 -52.4 136.3 10.3 -6.9 6.6 38 38 A V - 0 0 74 5,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.500 69.2-144.2 -17.5 108.2 13.4 -6.3 4.4 39 39 A P - 0 0 4 0, 0.0 2,-2.5 0, 0.0 3,-0.3 -0.360 33.3 -99.6 -60.1 158.1 13.0 -8.3 1.1 40 40 A P S S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.373 114.5 78.5 -74.2 58.6 16.2 -9.8 -0.3 41 41 A S S S- 0 0 64 -2,-2.5 3,-0.2 1,-0.5 -3,-0.0 -0.100 109.8 -77.1-165.4 44.2 16.1 -6.8 -2.7 42 42 A I - 0 0 127 -3,-0.3 -1,-0.5 1,-0.2 0, 0.0 0.072 69.3 -55.5 74.2 169.1 17.4 -3.9 -0.6 43 43 A R S S+ 0 0 137 -5,-0.1 -1,-0.2 -3,-0.1 -5,-0.1 0.778 106.1 99.1 -46.9 -39.6 15.6 -1.8 2.2 44 44 A D + 0 0 36 -3,-0.2 2,-0.2 -6,-0.1 68,-0.2 -0.133 49.3 153.9 -58.8 151.7 12.7 -0.9 -0.1 45 45 A T - 0 0 9 66,-0.5 2,-0.3 -7,-0.1 66,-0.2 -0.835 28.6-125.3-164.2-172.7 9.6 -2.9 0.2 46 46 A A - 0 0 3 64,-0.3 -10,-1.9 -2,-0.2 2,-0.3 -0.946 25.4 -99.6-149.9 162.7 5.8 -3.0 -0.3 47 47 A A E -B 35 0B 2 62,-2.2 2,-0.5 -2,-0.3 62,-0.4 -0.669 24.8-152.4 -84.0 149.3 2.5 -3.6 1.5 48 48 A Y E +B 34 0B 34 -14,-2.7 -14,-0.8 -2,-0.3 2,-0.2 -0.975 49.5 106.5-124.2 103.3 0.8 -7.0 1.0 49 49 A M E -F 102 0C 30 53,-2.2 53,-1.7 -2,-0.5 2,-0.3 -0.845 59.0-113.0-159.2-172.7 -3.0 -6.5 1.5 50 50 A T E -F 101 0C 35 51,-0.3 2,-0.3 -2,-0.2 51,-0.2 -0.923 15.6-138.3-145.6 125.2 -6.4 -6.3 -0.3 51 51 A L - 0 0 4 49,-1.9 2,-0.5 -2,-0.3 49,-0.4 -0.697 22.8-162.1 -81.3 132.6 -8.7 -3.3 -0.7 52 52 A T - 0 0 40 -2,-0.3 -22,-0.7 47,-0.2 2,-0.3 -0.878 3.5-154.1-129.3 88.2 -12.2 -4.7 -0.2 53 53 A N + 0 0 7 45,-1.2 -25,-0.1 -2,-0.5 -24,-0.0 -0.525 26.1 162.0 -79.4 128.5 -14.9 -2.3 -1.5 54 54 A K B S+A 26 0A 133 -28,-0.7 -28,-1.8 -2,-0.3 -1,-0.1 -0.447 72.0 49.7-141.8 57.0 -18.3 -2.5 0.1 55 55 A S S S- 0 0 27 -30,-0.2 -2,-0.1 2,-0.1 -31,-0.0 0.274 87.3-136.5-156.2 -40.6 -19.9 0.8 -1.0 56 56 A D + 0 0 51 1,-0.3 -3,-0.0 42,-0.0 0, 0.0 0.963 53.3 132.9 66.0 62.2 -19.3 1.0 -4.8 57 57 A Q - 0 0 88 37,-0.1 2,-2.0 41,-0.0 39,-1.6 -0.925 69.8 -98.2-132.8 155.4 -18.2 4.7 -5.1 58 58 A P E +G 95 0D 82 0, 0.0 2,-0.2 0, 0.0 35,-0.0 -0.497 55.0 175.5 -78.3 76.0 -15.2 6.2 -7.1 59 59 A I E -G 94 0D 28 -2,-2.0 35,-2.9 35,-1.3 2,-0.4 -0.546 20.2-155.5 -83.4 147.8 -12.8 6.5 -4.1 60 60 A K E -G 93 0D 56 33,-0.3 71,-1.8 -2,-0.2 2,-0.5 -0.881 4.8-164.7-130.3 99.6 -9.2 7.7 -4.6 61 61 A L E +GH 92 130D 18 31,-0.9 31,-1.0 -2,-0.4 69,-0.3 -0.721 19.0 162.0 -82.6 121.5 -6.7 6.5 -1.9 62 62 A V + 0 0 50 67,-1.9 2,-0.3 -2,-0.5 68,-0.1 -0.333 45.4 71.7-143.8 54.3 -3.5 8.6 -2.1 63 63 A G + 0 0 15 2,-0.0 66,-0.5 1,-0.0 10,-0.1 -0.919 26.7 160.6-162.2 149.0 -1.7 8.1 1.2 64 64 A A + 0 0 8 -2,-0.3 64,-0.2 64,-0.2 2,-0.2 -0.385 28.4 170.3-156.2 60.0 0.2 5.5 3.1 65 65 A A B +D 127 0B 55 62,-2.6 62,-3.2 3,-0.1 5,-0.1 -0.583 9.5 145.0 -85.3 141.9 2.2 7.6 5.6 66 66 A T - 0 0 20 3,-0.4 2,-1.6 -2,-0.2 60,-0.1 -0.964 63.0-106.8-169.6 149.2 4.0 5.7 8.5 67 67 A P S S+ 0 0 97 0, 0.0 49,-0.2 0, 0.0 3,-0.1 -0.227 109.9 70.7 -75.8 49.6 7.2 5.8 10.7 68 68 A L S S+ 0 0 3 -2,-1.6 47,-3.1 1,-0.5 48,-0.4 0.582 97.4 25.8-125.6 -70.6 8.3 2.8 8.5 69 69 A A E -I 114 0E 3 45,-0.3 -1,-0.5 46,-0.1 -3,-0.4 -0.728 54.5-152.3-109.5 147.3 9.2 4.0 4.9 70 70 A T E S+ 0 0 94 43,-2.3 43,-0.2 42,-0.6 44,-0.1 0.813 92.3 42.6 -82.4 -36.4 10.3 7.5 3.8 71 71 A S E -I 112 0E 36 41,-3.1 41,-1.8 2,-0.1 2,-1.0 -0.715 67.9-174.0-120.5 75.1 9.0 7.2 0.2 72 72 A P E -I 111 0E 50 0, 0.0 2,-0.4 0, 0.0 39,-0.3 -0.659 16.8-178.5 -75.8 101.1 5.4 5.7 0.2 73 73 A M E -I 110 0E 59 37,-2.9 37,-3.0 -2,-1.0 2,-0.2 -0.891 22.1-133.9-109.5 128.5 4.8 5.3 -3.6 74 74 A L E -I 109 0E 15 -2,-0.4 15,-0.8 15,-0.4 2,-0.3 -0.592 27.9-177.5 -82.6 142.2 1.5 4.0 -5.0 75 75 A M E -I 108 0E 9 33,-2.7 33,-2.8 -2,-0.2 2,-0.3 -0.970 11.8-168.8-148.2 153.1 1.9 1.4 -7.8 76 76 A T E +J 85 0F 2 9,-1.1 9,-3.1 11,-0.4 11,-0.2 -0.806 23.3 146.7-159.1 98.6 -0.6 -0.6 -10.0 77 77 A T E +J 84 0F 36 -2,-0.3 2,-0.3 7,-0.3 7,-0.3 -0.392 45.7 98.1-138.9 59.5 0.0 -3.5 -12.3 78 78 A T S > S- 0 0 46 5,-2.3 2,-2.7 28,-0.2 3,-2.3 -0.937 70.9-129.1-147.7 125.1 -3.1 -5.7 -12.3 79 79 A H T 3 S+ 0 0 169 -2,-0.3 5,-0.1 1,-0.3 3,-0.1 -0.375 110.1 34.3 -77.5 64.1 -5.8 -5.5 -15.0 80 80 A S T 3 S+ 0 0 100 -2,-2.7 -1,-0.3 3,-0.2 19,-0.3 0.075 110.1 70.9 166.0 -20.6 -8.6 -5.1 -12.4 81 81 A G S < S- 0 0 17 -3,-2.3 -5,-0.1 2,-0.3 26,-0.1 0.100 118.6 -56.3 -80.4-149.4 -6.7 -3.1 -9.8 82 82 A G S S- 0 0 29 -7,-0.2 2,-0.2 1,-0.1 11,-0.1 0.923 103.3 -42.4 -58.5 -52.5 -5.8 0.5 -10.6 83 83 A M - 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0 0 7 -49,-0.4 -49,-1.9 -2,-0.2 2,-0.6 -0.694 48.1-130.2-105.2 156.5 -8.0 -5.4 -5.7 101 101 A T E -F 50 0C 60 -2,-0.3 2,-0.8 -51,-0.2 -51,-0.3 -0.931 12.0-144.4-115.4 115.4 -5.1 -7.3 -4.1 102 102 A L E +F 49 0C 4 -53,-1.7 -53,-2.2 -2,-0.6 2,-0.3 -0.748 37.0 158.8 -82.6 106.4 -2.0 -5.2 -3.3 103 103 A Q > - 0 0 82 4,-2.8 3,-2.5 -2,-0.8 -55,-0.1 -0.955 55.1 -95.6-137.1 156.6 1.0 -7.6 -3.9 104 104 A R T 3 S+ 0 0 98 1,-0.3 3,-0.1 -2,-0.3 4,-0.1 0.684 120.6 11.8 -47.4 -40.4 4.6 -7.0 -4.6 105 105 A D T 3 S+ 0 0 114 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 -0.380 120.7 67.8-132.6 52.0 4.4 -7.2 -8.4 106 106 A G S < S- 0 0 4 -3,-2.5 -3,-0.5 1,-0.4 -5,-0.2 -0.182 119.8 -49.7-165.9 63.8 0.6 -7.0 -8.9 107 107 A D S S+ 0 0 0 -5,-0.2 -4,-2.8 -3,-0.1 -1,-0.4 0.501 85.2 130.5 65.5 136.4 -0.6 -3.6 -7.9 108 108 A H E -I 75 0E 0 -33,-2.8 -33,-2.7 -6,-0.3 2,-0.5 -0.983 58.3 -82.3 179.8-179.2 0.5 -2.3 -4.4 109 109 A V E -I 74 0E 6 -62,-0.4 -62,-2.2 -2,-0.3 2,-1.0 -0.994 33.6-145.7-110.8 123.0 2.1 0.5 -2.3 110 110 A M E -I 73 0E 37 -37,-3.0 -37,-2.9 -2,-0.5 2,-2.1 -0.798 6.4-161.3 -83.5 100.5 5.9 0.5 -2.5 111 111 A L E -I 72 0E 1 -2,-1.0 -66,-0.5 -39,-0.3 2,-0.1 -0.580 30.7-178.0 -78.1 74.2 6.8 1.7 1.0 112 112 A M E +I 71 0E 74 -2,-2.1 -41,-3.1 -41,-1.8 -42,-0.6 -0.415 44.9 37.5 -84.7 153.9 10.2 2.6 -0.4 113 113 A G E S- 0 0 20 -43,-0.2 -43,-2.3 -44,-0.2 -1,-0.2 0.987 79.1-141.5 73.2 60.2 13.2 4.0 1.5 114 114 A L E -I 69 0E 10 -45,-0.2 -45,-0.3 1,-0.1 -1,-0.1 -0.285 15.1-166.2 -52.7 128.6 13.0 2.1 4.9 115 115 A K + 0 0 99 -47,-3.1 -46,-0.1 1,-0.2 -1,-0.1 0.969 60.8 17.2 -76.5 -73.0 13.8 4.3 7.9 116 116 A R S S- 0 0 202 -48,-0.4 -1,-0.2 -49,-0.2 0, 0.0 -0.699 89.8 -79.8-116.4 157.0 14.4 2.1 11.0 117 117 A P - 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