==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-JAN-05 1YOP . COMPND 2 MOLECULE: KTI11P; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.SUN,J.ZHANG,F.WU,C.XU,S.LI,W.ZHAO,Z.WU,J.WU,C.-Z.ZHOU, . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 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 . 12 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 202 0, 0.0 3,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 41.1 -16.3 4.1 6.6 2 2 A V + 0 0 138 1,-0.3 2,-0.4 0, 0.0 0, 0.0 0.739 360.0 29.7-109.7 -38.5 -17.5 7.3 8.4 3 3 A S S S+ 0 0 71 52,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.976 70.1 152.1-130.7 119.1 -15.5 10.0 6.6 4 4 A T + 0 0 70 -2,-0.4 51,-0.2 -3,-0.1 3,-0.1 -0.999 24.5 179.6-147.5 143.9 -14.3 9.7 3.0 5 5 A Y S S- 0 0 188 49,-1.5 2,-0.3 1,-0.4 50,-0.1 0.731 73.0 -16.9-109.6 -38.5 -13.5 12.1 0.1 6 6 A D B -a 55 0A 115 48,-0.5 50,-1.9 2,-0.0 2,-0.4 -0.948 57.8-118.3-158.5 174.8 -12.5 9.8 -2.7 7 7 A E - 0 0 135 -2,-0.3 2,-0.3 48,-0.2 50,-0.2 -0.991 22.5-165.0-130.4 127.5 -11.4 6.2 -3.5 8 8 A I - 0 0 14 -2,-0.4 50,-3.2 48,-0.4 2,-0.3 -0.767 12.2-134.9-109.9 155.5 -8.1 5.2 -5.1 9 9 A E B > -c 58 0B 88 -2,-0.3 3,-0.5 48,-0.2 50,-0.2 -0.849 14.0-132.9-111.5 146.9 -7.1 1.9 -6.7 10 10 A I G > S+ 0 0 25 48,-1.7 3,-1.2 -2,-0.3 49,-0.1 0.839 108.3 59.5 -62.6 -34.3 -3.9 -0.1 -6.3 11 11 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.2 -3,-0.0 48,-0.1 0.830 103.6 51.8 -64.1 -32.4 -3.6 -0.5 -10.0 12 12 A D G < S+ 0 0 93 -3,-0.5 2,-0.3 2,-0.0 -1,-0.3 -0.147 98.4 92.6 -96.7 37.6 -3.5 3.3 -10.4 13 13 A M S < S- 0 0 22 -3,-1.2 11,-0.2 -5,-0.1 2,-0.1 -0.945 73.4-115.5-131.6 152.6 -0.7 3.7 -7.8 14 14 A T E -D 23 0C 66 9,-2.0 9,-1.4 -2,-0.3 2,-0.4 -0.328 26.2-127.3 -81.1 166.1 3.1 3.8 -8.0 15 15 A F E -D 22 0C 88 7,-0.2 7,-0.2 -2,-0.1 -1,-0.0 -0.945 4.5-149.5-119.9 138.4 5.5 1.2 -6.5 16 16 A E E >>> -D 21 0C 36 5,-3.1 2,-2.6 -2,-0.4 5,-1.1 -0.802 8.2-165.0-107.9 90.0 8.4 1.9 -4.2 17 17 A P T 345S+ 0 0 102 0, 0.0 55,-0.1 0, 0.0 5,-0.1 -0.348 73.2 71.0 -73.1 64.4 11.1 -0.8 -4.9 18 18 A E T 345S+ 0 0 117 -2,-2.6 -2,-0.0 3,-0.1 0, 0.0 0.480 114.9 3.0-141.9 -46.5 13.0 -0.2 -1.7 19 19 A N T <45S- 0 0 87 -3,-0.9 52,-0.0 2,-0.1 -3,-0.0 -0.002 106.8 -91.8-139.4 29.5 11.1 -1.4 1.3 20 20 A Q T <5S+ 0 0 11 -4,-0.5 16,-1.7 1,-0.2 17,-0.4 0.988 81.8 129.6 56.5 68.6 8.0 -3.0 -0.3 21 21 A M E < -DE 16 35C 6 -5,-1.1 -5,-3.1 14,-0.2 2,-0.3 -0.978 48.6-130.6-148.2 158.6 5.6 0.1 -0.3 22 22 A F E -DE 15 34C 2 12,-3.6 12,-2.3 -2,-0.3 2,-0.3 -0.739 16.2-153.2-110.1 159.4 3.4 2.0 -2.6 23 23 A T E +DE 14 33C 0 -9,-1.4 -9,-2.0 -2,-0.3 10,-0.2 -0.966 13.9 176.5-134.3 150.1 3.1 5.7 -3.3 24 24 A Y E - E 0 32C 77 8,-1.7 8,-2.2 -2,-0.3 2,-0.5 -0.757 34.0-124.9-155.7 102.1 0.4 8.1 -4.5 25 25 A P E - E 0 31C 65 0, 0.0 6,-0.3 0, 0.0 -2,-0.0 -0.268 34.7-135.4 -51.0 99.4 0.9 11.9 -4.8 26 26 A C E >> - E 0 30C 3 4,-0.5 3,-2.8 -2,-0.5 4,-0.5 -0.324 14.5-118.3 -60.9 138.7 -2.1 13.1 -2.6 27 27 A P T 34 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.745 110.8 73.8 -49.0 -26.5 -4.1 16.0 -4.2 28 28 A C T 34 S- 0 0 60 1,-0.1 3,-0.1 25,-0.0 -2,-0.1 0.802 123.8 -97.8 -59.5 -29.5 -3.0 18.1 -1.1 29 29 A G T <4 S+ 0 0 70 -3,-2.8 2,-0.1 1,-0.3 -1,-0.1 0.457 90.8 94.3 123.2 7.5 0.5 18.3 -2.6 30 30 A D E < S-E 26 0C 74 -4,-0.5 2,-0.6 -6,-0.1 -4,-0.5 -0.400 78.6 -93.5-114.1-168.2 2.4 15.5 -0.8 31 31 A R E -E 25 0C 131 -6,-0.3 2,-0.6 -2,-0.1 0, 0.0 -0.915 29.5-146.5-117.1 106.4 3.2 11.8 -1.4 32 32 A F E -E 24 0C 14 -8,-2.2 -8,-1.7 -2,-0.6 2,-0.3 -0.588 21.6-166.0 -73.4 113.2 0.7 9.3 0.1 33 33 A Q E +E 23 0C 97 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.742 11.4 179.3-102.9 150.8 2.7 6.2 1.1 34 34 A I E -E 22 0C 15 -12,-2.3 -12,-3.6 -2,-0.3 2,-0.2 -0.912 18.6-140.1-154.2 121.6 1.4 2.8 2.0 35 35 A Y E > -E 21 0C 92 -2,-0.3 4,-2.1 -14,-0.3 -14,-0.2 -0.528 15.1-134.1 -81.9 148.1 3.2 -0.4 3.0 36 36 A L H > S+ 0 0 0 -16,-1.7 4,-1.4 1,-0.2 -1,-0.1 0.854 107.2 53.2 -67.9 -35.5 2.1 -3.8 1.8 37 37 A D H > S+ 0 0 83 -17,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.906 109.5 47.9 -66.2 -43.1 2.5 -5.3 5.3 38 38 A D H >4 S+ 0 0 74 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.955 113.1 46.0 -62.8 -52.2 0.2 -2.6 6.8 39 39 A M H >X S+ 0 0 7 -4,-2.1 4,-1.3 1,-0.3 3,-1.1 0.787 98.7 73.7 -61.6 -27.7 -2.5 -2.9 4.2 40 40 A F H 3< S+ 0 0 98 -4,-1.4 2,-0.3 1,-0.3 -1,-0.3 0.818 89.8 59.7 -55.6 -32.4 -2.3 -6.7 4.6 41 41 A E T << S- 0 0 180 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.1 -0.167 135.8 -81.7 -91.0 41.0 -4.0 -6.3 7.9 42 42 A G T <4 S+ 0 0 44 -3,-1.1 2,-0.6 -2,-0.3 3,-0.2 0.986 73.6 161.2 60.1 64.8 -7.1 -4.8 6.3 43 43 A E < + 0 0 60 -4,-1.3 -1,-0.2 1,-0.1 3,-0.1 -0.876 16.6 131.2-121.6 98.9 -5.9 -1.2 5.9 44 44 A K + 0 0 104 -2,-0.6 13,-2.0 1,-0.1 2,-1.4 0.681 60.4 71.6-112.9 -33.8 -7.9 0.9 3.3 45 45 A V E +B 56 0A 73 11,-0.2 2,-0.3 -3,-0.2 11,-0.2 -0.644 69.0 174.5 -89.2 82.0 -8.7 4.0 5.3 46 46 A A E -B 55 0A 11 -2,-1.4 9,-1.3 9,-1.1 2,-0.6 -0.645 26.0-134.1 -91.1 147.0 -5.2 5.7 5.4 47 47 A V E -B 54 0A 81 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.891 21.0-124.0-104.9 121.1 -4.6 9.1 6.9 48 48 A C - 0 0 4 5,-1.1 4,-0.5 -2,-0.6 -16,-0.1 -0.354 9.9-140.5 -61.9 135.8 -2.3 11.5 4.8 49 49 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.152 97.0 38.8 -84.3 20.2 0.7 12.8 6.8 50 50 A S S S+ 0 0 69 3,-0.1 -2,-0.0 -20,-0.0 -3,-0.0 0.581 133.9 10.4-129.8 -59.5 0.3 16.3 5.3 51 51 A C S S- 0 0 59 2,-0.1 -4,-0.0 0, 0.0 -3,-0.0 0.610 88.0-131.8-100.8 -17.3 -3.4 17.2 4.9 52 52 A S + 0 0 81 -4,-0.5 2,-0.4 1,-0.2 -5,-0.0 0.859 44.0 168.7 67.4 36.6 -4.8 14.4 7.0 53 53 A L - 0 0 42 1,-0.0 -5,-1.1 -49,-0.0 2,-0.5 -0.675 34.7-125.4 -85.6 133.4 -7.4 13.6 4.3 54 54 A M E + B 0 47A 74 -2,-0.4 -49,-1.5 -7,-0.2 -48,-0.5 -0.673 35.8 174.5 -82.0 122.4 -9.4 10.3 4.7 55 55 A I E -aB 6 46A 11 -9,-1.3 -9,-1.1 -2,-0.5 2,-0.8 -0.977 27.5-144.3-131.3 143.3 -9.1 8.1 1.6 56 56 A D E - B 0 45A 28 -50,-1.9 2,-0.4 -2,-0.4 -48,-0.4 -0.820 21.5-170.6-109.4 92.2 -10.4 4.6 0.9 57 57 A V - 0 0 12 -13,-2.0 2,-0.3 -2,-0.8 -48,-0.2 -0.694 11.9-143.6 -86.1 130.0 -7.9 2.8 -1.4 58 58 A V B -c 9 0B 80 -50,-3.2 -48,-1.7 -2,-0.4 2,-0.3 -0.689 14.4-164.9 -94.1 145.6 -9.0 -0.5 -2.8 59 59 A F - 0 0 51 -2,-0.3 -50,-0.0 -50,-0.2 -15,-0.0 -0.971 23.6-154.4-131.9 146.8 -6.6 -3.4 -3.3 60 60 A D - 0 0 120 -2,-0.3 -1,-0.1 0, 0.0 -51,-0.0 0.650 34.9-134.8 -89.3 -18.9 -6.8 -6.7 -5.3 61 61 A K S S+ 0 0 103 1,-0.0 4,-0.2 4,-0.0 -2,-0.0 0.764 78.6 103.6 68.5 26.2 -4.3 -8.5 -3.0 62 62 A E S >> S+ 0 0 121 2,-0.1 4,-1.9 3,-0.1 3,-1.3 0.863 78.7 37.7 -99.7 -62.5 -2.5 -9.8 -6.1 63 63 A D H 3> S+ 0 0 64 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.761 103.3 76.6 -62.0 -25.3 0.6 -7.8 -6.5 64 64 A L H 34 S+ 0 0 2 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.862 108.6 28.2 -53.7 -38.3 0.9 -7.8 -2.7 65 65 A A H <> S+ 0 0 60 -3,-1.3 4,-0.6 -4,-0.2 3,-0.2 0.818 122.2 51.5 -91.7 -37.6 2.2 -11.4 -3.0 66 66 A E H >X S+ 0 0 103 -4,-1.9 4,-1.5 1,-0.2 3,-1.3 0.904 104.0 57.8 -66.2 -42.7 3.8 -11.2 -6.4 67 67 A Y H 3X S+ 0 0 14 -4,-3.6 4,-3.2 1,-0.3 -1,-0.2 0.806 94.5 67.7 -57.9 -30.8 5.8 -8.1 -5.6 68 68 A Y H 34 S+ 0 0 80 -5,-0.3 -1,-0.3 -4,-0.3 5,-0.2 0.855 105.8 40.8 -58.5 -35.3 7.4 -10.0 -2.7 69 69 A E H << S+ 0 0 167 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.804 115.4 51.6 -81.9 -32.0 9.1 -12.2 -5.3 70 70 A E H < S+ 0 0 126 -4,-1.5 -2,-0.2 2,-0.0 -3,-0.2 0.951 102.1 66.2 -69.4 -51.5 9.9 -9.2 -7.6 71 71 A A S < S- 0 0 21 -4,-3.2 -53,-0.0 -5,-0.1 -52,-0.0 -0.335 77.3-137.5 -71.5 154.0 11.6 -7.1 -4.9 72 72 A G + 0 0 90 -55,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.097 54.3 138.0-103.6 34.7 14.8 -8.2 -3.3 73 73 A I - 0 0 52 -5,-0.2 -54,-0.1 1,-0.1 -55,-0.0 -0.396 57.7-120.1 -78.4 156.7 13.8 -7.2 0.3 74 74 A H - 0 0 167 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.797 32.3-159.5-101.7 93.7 14.6 -9.4 3.3 75 75 A P - 0 0 41 0, 0.0 -7,-0.0 0, 0.0 0, 0.0 -0.222 24.8 -94.5 -68.3 160.2 11.3 -10.4 4.9 76 76 A P S S+ 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.156 85.5 40.0 -70.3 168.5 11.0 -11.6 8.6 77 77 A E S S- 0 0 172 2,-0.0 2,-0.0 0, 0.0 0, 0.0 0.409 95.2 -71.2 68.6 149.7 11.0 -15.2 9.7 78 78 A P - 0 0 121 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.293 41.1-127.8 -71.8 157.6 13.3 -18.0 8.1 79 79 A I - 0 0 138 2,-0.0 2,-0.5 -2,-0.0 -2,-0.0 -0.918 20.8-165.4-113.6 109.7 12.7 -19.4 4.6 80 80 A A - 0 0 97 -2,-0.6 2,-0.7 2,-0.0 0, 0.0 -0.820 5.9-154.6 -97.2 126.9 12.5 -23.2 4.4 81 81 A A + 0 0 109 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.878 29.8 149.5-104.6 109.3 12.8 -24.8 0.9 82 82 A A 0 0 102 -2,-0.7 -2,-0.0 0, 0.0 0, 0.0 -0.994 360.0 360.0-142.9 132.8 11.1 -28.1 0.6 83 83 A A 0 0 158 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.993 360.0 360.0-149.9 360.0 9.4 -29.9 -2.4