==== 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 ISOMERASE 15-DEC-09 3L2H . COMPND 2 MOLECULE: PUTATIVE SUGAR PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 631 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 296 46.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 12 1.9 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 . 95 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 4 4 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 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 . 8 8 3 13 8 12 0 4 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 8 0 4 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 0 A G > 0 0 32 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 160.5 45.9 82.2 -5.1 2 1 A X G > + 0 0 176 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.817 360.0 69.8 -63.2 -25.3 49.6 82.9 -5.0 3 2 A D G 3 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.485 98.9 48.7 -78.3 2.6 50.2 79.8 -2.9 4 3 A T G X S+ 0 0 9 -3,-1.8 3,-1.6 555,-0.1 4,-0.3 0.383 80.3 93.5-114.9 4.9 49.4 77.5 -5.9 5 4 A R G X S+ 0 0 84 -3,-1.3 3,-1.8 -4,-0.4 -2,-0.1 0.873 77.6 68.1 -54.7 -33.2 51.6 79.3 -8.5 6 5 A K G 3 S+ 0 0 147 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.687 85.6 67.4 -66.4 -16.6 54.2 76.7 -7.5 7 6 A L G < S+ 0 0 8 -3,-1.6 566,-2.1 565,-0.1 2,-0.5 0.658 90.4 73.0 -77.9 -16.2 52.2 73.9 -9.1 8 7 A L E < -A 572 0A 5 -3,-1.8 2,-0.6 -4,-0.3 564,-0.2 -0.890 62.6-170.3 -98.5 123.8 52.8 75.3 -12.6 9 8 A L E -A 571 0A 14 562,-3.5 562,-3.2 -2,-0.5 -3,-0.1 -0.968 17.1-146.7-111.4 107.6 56.3 74.9 -14.0 10 9 A T > - 0 0 36 -2,-0.6 4,-2.7 560,-0.2 3,-0.3 -0.339 28.0-103.2 -68.8 162.2 56.7 76.9 -17.2 11 10 A A H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.877 124.7 46.2 -49.6 -42.0 58.8 75.7 -20.1 12 11 A Q H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.811 107.7 54.5 -81.5 -26.7 61.5 78.2 -19.0 13 12 A E H > S+ 0 0 76 -3,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.904 112.3 47.2 -63.1 -39.8 61.4 77.3 -15.3 14 13 A I H >< S+ 0 0 7 -4,-2.7 3,-0.8 2,-0.2 -2,-0.2 0.950 109.1 52.5 -67.4 -48.2 61.9 73.7 -16.5 15 14 A S H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 111.2 47.9 -51.0 -44.7 64.8 74.7 -18.8 16 15 A R H 3< S+ 0 0 211 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.642 85.2 106.8 -81.6 -12.2 66.6 76.5 -15.9 17 16 A X << - 0 0 54 -4,-1.0 18,-0.0 -3,-0.8 -3,-0.0 -0.413 63.6-148.7 -60.5 137.2 66.2 73.6 -13.4 18 17 A K - 0 0 190 1,-0.1 -1,-0.2 -2,-0.1 16,-0.0 0.866 27.3-165.2 -76.1 -37.2 69.5 72.0 -12.9 19 18 A G - 0 0 25 14,-0.1 2,-0.4 17,-0.1 16,-0.3 -0.282 27.6 -70.2 75.6-173.9 68.1 68.5 -12.3 20 19 A E E -G 34 0B 113 14,-2.7 14,-2.8 -2,-0.0 2,-0.7 -0.958 30.5-126.0-120.9 139.5 70.1 65.7 -10.8 21 20 A H E -G 33 0B 134 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.711 39.9-171.3 -75.8 113.2 73.0 63.8 -12.2 22 21 A K E -G 32 0B 80 10,-3.1 10,-2.1 -2,-0.7 2,-0.5 -0.957 18.3-173.6-120.8 130.0 71.8 60.2 -11.8 23 22 A V E -G 31 0B 72 -2,-0.5 8,-0.2 8,-0.2 2,-0.1 -0.980 34.6-114.6-116.5 126.6 73.7 57.0 -12.3 24 23 A H E > -G 27 0B 44 6,-2.3 3,-1.4 3,-0.6 6,-0.2 -0.387 22.6-126.3 -63.5 139.6 71.8 53.7 -12.1 25 24 A F T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.682 108.3 35.0 -67.2 -14.6 73.0 51.6 -9.1 26 25 A L T 3 S+ 0 0 24 1,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.383 118.6 50.7-117.3 0.4 73.6 48.5 -11.3 27 26 A N E X -G 24 0B 18 -3,-1.4 3,-2.1 3,-0.2 -3,-0.6 -0.813 51.3-171.7-146.1 99.2 74.8 50.2 -14.5 28 27 A P E 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.711 93.2 61.1 -61.1 -19.7 77.6 52.9 -14.6 29 28 A G E 3 S+ 0 0 23 1,-0.1 29,-2.2 28,-0.1 2,-1.2 0.542 82.4 87.3 -83.0 -9.5 76.6 53.4 -18.3 30 29 A A E < + 0 0 3 -3,-2.1 -6,-2.3 27,-0.2 2,-0.4 -0.731 60.2 151.3 -91.3 89.4 73.1 54.5 -17.2 31 30 A V E +G 23 0B 25 -2,-1.2 23,-0.4 27,-0.4 2,-0.3 -0.970 10.4 151.9-126.8 132.7 73.7 58.2 -16.7 32 31 A R E -G 22 0B 46 -10,-2.1 -10,-3.1 -2,-0.4 2,-0.6 -0.984 46.9-113.8-154.4 159.3 71.2 61.0 -17.1 33 32 A V E -GH 21 52B 41 19,-2.1 19,-2.0 -2,-0.3 2,-0.5 -0.911 39.9-159.3 -94.0 123.3 70.2 64.4 -16.0 34 33 A N E -GH 20 51B 4 -14,-2.8 -14,-2.7 -2,-0.6 2,-0.7 -0.935 15.5-171.4-113.3 118.0 66.9 63.9 -14.2 35 34 A K E - H 0 50B 13 15,-2.8 15,-2.8 -2,-0.5 2,-1.3 -0.928 17.0-150.4-106.6 106.0 64.5 66.8 -13.7 36 35 A S E > + H 0 49B 18 -2,-0.7 4,-1.8 13,-0.2 13,-0.2 -0.617 20.1 175.9 -82.7 97.6 61.8 65.5 -11.4 37 36 A L H > S+ 0 0 0 -2,-1.3 4,-1.3 11,-1.3 -1,-0.2 0.887 79.7 53.3 -66.0 -41.6 58.7 67.5 -12.5 38 37 A G H >>S+ 0 0 0 10,-2.0 5,-2.5 1,-0.2 4,-1.0 0.926 109.2 46.1 -61.4 -44.4 56.5 65.6 -10.1 39 38 A D H 45S+ 0 0 86 9,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.857 105.9 61.0 -69.3 -30.8 58.7 66.2 -7.1 40 39 A A H <5S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.4 33.9 -62.7 -31.6 59.0 70.0 -8.0 41 40 A V H <5S- 0 0 4 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.460 120.6-102.9-105.3 -4.9 55.2 70.3 -7.6 42 41 A G T <5 + 0 0 33 -4,-1.0 -3,-0.2 -3,-0.3 2,-0.2 0.633 58.7 160.1 93.0 17.5 54.7 67.7 -4.8 43 42 A L < + 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 5,-0.1 -0.501 9.4 174.9 -65.1 137.9 53.3 64.6 -6.5 44 43 A R + 0 0 174 -2,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.499 69.7 46.8-125.1 -11.3 53.8 61.6 -4.3 45 44 A H S S+ 0 0 75 1,-0.2 78,-2.2 77,-0.1 2,-0.3 0.505 112.2 45.8-111.1 -3.8 52.1 58.7 -6.1 46 45 A X E - I 0 122B 4 76,-0.3 2,-0.5 500,-0.0 76,-0.2 -1.000 67.9-145.0-142.2 132.6 53.4 59.3 -9.5 47 46 A G E + I 0 121B 4 74,-2.8 74,-2.6 -2,-0.3 2,-0.4 -0.852 18.0 179.1 -97.1 130.7 57.0 60.1 -10.8 48 47 A I E + I 0 120B 2 -2,-0.5 -10,-2.0 72,-0.2 -11,-1.3 -0.955 12.5 176.6-133.7 112.3 57.1 62.4 -13.8 49 48 A H E -HI 36 119B 32 70,-3.2 70,-3.0 -2,-0.4 2,-0.7 -0.965 30.6-147.5-126.7 137.3 60.6 63.1 -15.0 50 49 A L E -HI 35 118B 13 -15,-2.8 -15,-2.8 -2,-0.4 2,-0.3 -0.910 33.5-169.6 -98.0 113.7 62.2 65.0 -17.8 51 50 A I E -HI 34 117B 2 66,-2.8 66,-2.0 -2,-0.7 2,-0.4 -0.871 19.2-159.6-113.0 146.8 65.4 63.1 -18.6 52 51 A Q E -HI 33 116B 57 -19,-2.0 -19,-2.1 -2,-0.3 2,-0.5 -0.996 10.0-173.6-123.0 122.2 68.4 63.9 -20.8 53 52 A I E - I 0 115B 0 62,-2.5 62,-2.7 -2,-0.4 -21,-0.1 -0.980 14.5-144.9-120.0 122.1 70.5 61.0 -22.0 54 53 A E > - 0 0 86 -2,-0.5 3,-2.0 -23,-0.4 55,-0.3 -0.388 38.6 -70.7 -85.5 163.1 73.7 61.8 -23.8 55 54 A P T 3 S+ 0 0 55 0, 0.0 55,-0.2 0, 0.0 -1,-0.2 -0.191 120.7 21.7 -52.5 135.0 75.3 59.9 -26.7 56 55 A G T 3 S+ 0 0 58 53,-3.3 2,-0.2 1,-0.3 54,-0.1 0.389 104.9 103.3 86.7 0.1 76.7 56.6 -25.5 57 56 A K < - 0 0 86 -3,-2.0 52,-2.9 52,-0.5 -1,-0.3 -0.672 58.2-136.3-113.1 168.1 74.6 56.4 -22.4 58 57 A E B -M 108 0C 55 -29,-2.2 -27,-0.4 50,-0.2 50,-0.2 -0.803 15.7-128.4-119.6 165.7 71.5 54.4 -21.3 59 58 A S S S- 0 0 11 48,-2.9 2,-0.3 -2,-0.3 49,-0.1 0.656 81.1 -31.1 -82.2 -21.4 68.3 55.2 -19.4 60 59 A T S S- 0 0 11 47,-0.4 2,-0.6 -36,-0.1 -1,-0.1 -0.952 76.0 -68.3-173.9 177.3 68.5 52.4 -16.9 61 60 A E S S- 0 0 11 -2,-0.3 44,-0.2 -31,-0.1 -34,-0.1 -0.911 71.6 -88.8 -89.3 128.7 69.7 48.9 -16.2 62 61 A Y S S+ 0 0 21 -2,-0.6 71,-0.4 69,-0.1 2,-0.3 -0.048 72.7 163.5 -36.5 116.2 67.7 46.5 -18.3 63 62 A H B -N 105 0C 6 42,-2.0 42,-2.0 68,-0.2 2,-0.4 -0.952 39.7-150.1-149.6 161.4 64.7 45.8 -16.0 64 63 A L E -Q 130 0D 30 66,-1.9 66,-2.6 -2,-0.3 2,-0.4 -0.988 18.2-145.8-138.3 122.9 61.2 44.5 -15.4 65 64 A H E -Q 129 0D 32 -2,-0.4 36,-2.6 38,-0.2 37,-0.2 -0.726 7.7-166.2 -87.4 136.7 58.8 45.7 -12.8 66 65 A H S S+ 0 0 13 62,-2.8 -1,-0.1 -2,-0.4 63,-0.1 0.754 88.0 9.0 -88.5 -29.0 56.3 43.4 -11.1 67 66 A Y S S+ 0 0 41 61,-0.4 2,-0.6 1,-0.1 33,-0.2 0.653 109.9 76.3-124.5 -33.0 54.0 46.1 -9.5 68 67 A E - 0 0 27 60,-0.2 -3,-0.2 31,-0.1 2,-0.1 -0.780 66.6-143.6 -89.5 122.5 54.9 49.6 -10.8 69 68 A E - 0 0 3 -2,-0.6 53,-2.1 31,-0.1 2,-0.3 -0.481 22.1-173.1 -70.1 156.3 53.8 50.6 -14.3 70 69 A E E +JK 98 121B 29 28,-1.2 28,-3.2 51,-0.2 2,-0.3 -0.976 8.4 179.3-150.5 153.3 56.2 52.8 -16.3 71 70 A A E -JK 97 120B 0 49,-2.2 49,-2.6 -2,-0.3 2,-0.3 -0.975 12.5-150.8-153.4 164.2 56.1 54.6 -19.6 72 71 A V E -JK 96 119B 5 24,-2.6 24,-2.3 -2,-0.3 2,-0.4 -0.998 3.2-168.4-143.6 133.8 58.2 56.9 -21.8 73 72 A Y E -JK 95 118B 23 45,-2.4 45,-2.8 -2,-0.3 2,-0.4 -0.999 24.0-133.9-124.1 119.9 57.3 59.6 -24.3 74 73 A V E + K 0 117B 4 20,-2.6 19,-2.9 -2,-0.4 43,-0.3 -0.661 25.8 175.0 -80.5 129.4 60.2 60.9 -26.5 75 74 A L E - 0 0 44 41,-2.7 2,-0.3 -2,-0.4 42,-0.2 0.834 64.0 -9.9-101.9 -41.8 60.4 64.7 -26.8 76 75 A S E S+ K 0 116B 55 40,-1.7 40,-2.9 15,-0.1 -1,-0.4 -0.982 101.7 30.8-157.2 158.4 63.6 65.2 -28.9 77 76 A G S S- 0 0 15 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.196 74.7 -89.3 78.8-179.3 66.5 63.2 -30.2 78 77 A K + 0 0 147 35,-0.3 33,-0.4 13,-0.2 13,-0.2 -0.968 40.9 163.7-138.6 142.4 66.7 59.6 -31.2 79 78 A G E -O 90 0C 7 11,-1.9 11,-2.4 -2,-0.3 2,-0.4 -0.767 35.3-104.4-144.2-174.5 67.5 56.3 -29.3 80 79 A T E -OP 89 108C 39 28,-2.5 28,-2.7 9,-0.2 2,-0.6 -0.992 25.0-152.8-126.9 120.6 67.3 52.5 -29.4 81 80 A L E -OP 88 107C 0 7,-3.3 7,-2.8 -2,-0.4 2,-0.6 -0.839 5.8-160.3 -91.8 120.1 64.7 50.7 -27.2 82 81 A T E +OP 87 106C 28 24,-3.0 24,-1.9 -2,-0.6 2,-0.4 -0.948 16.4 173.0-101.2 122.6 65.7 47.2 -26.2 83 82 A X E > -OP 86 105C 0 3,-2.7 3,-1.0 -2,-0.6 22,-0.2 -0.976 60.8 -48.0-137.0 113.8 62.7 45.2 -25.2 84 83 A E T 3 S- 0 0 76 20,-2.0 19,-0.1 -2,-0.4 -1,-0.0 -0.303 125.3 -19.7 52.3-129.7 63.0 41.5 -24.4 85 84 A N T 3 S+ 0 0 144 -3,-0.1 -1,-0.3 2,-0.0 0, 0.0 0.961 122.2 86.9 -61.6 -43.2 65.1 40.2 -27.4 86 85 A D E < -O 83 0C 55 -3,-1.0 -3,-2.7 -4,-0.1 2,-0.4 -0.056 58.5-148.9 -82.6 154.3 64.4 43.0 -29.8 87 86 A Q E -O 82 0C 118 -5,-0.2 -5,-0.2 -7,-0.0 -1,-0.1 -0.944 16.7-177.3-117.4 137.2 65.8 46.4 -30.7 88 87 A Y E -O 81 0C 38 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.1 -0.993 25.5-125.3-134.2 131.5 63.6 49.3 -31.9 89 88 A P E -O 80 0C 109 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.490 28.9-159.5 -71.0 145.6 64.6 52.7 -33.0 90 89 A I E +O 79 0C 7 -11,-2.4 -11,-1.9 -2,-0.1 396,-0.0 -0.945 13.8 171.8-126.7 154.2 62.7 55.5 -31.2 91 90 A A > - 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