==== 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 08-JUL-09 3I7D . COMPND 2 MOLECULE: SUGAR PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RUEGERIA POMEROYI DSS-3; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 315 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 64.8 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 . 126 40.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 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 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 . 6 0 6 4 6 2 0 2 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 2 2 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 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 P 0 0 63 0, 0.0 250,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -37.5 14.5 16.3 30.4 2 3 A K B -A 250 0A 93 248,-0.2 248,-0.2 233,-0.1 2,-0.1 -0.606 360.0-134.8 -69.5 123.8 15.6 12.9 31.7 3 4 A L - 0 0 18 246,-2.5 2,-0.7 -2,-0.4 246,-0.3 -0.441 2.5-139.1 -83.1 152.3 17.3 13.5 35.1 4 5 A D >> - 0 0 96 1,-0.1 4,-1.1 -2,-0.1 3,-1.0 -0.902 15.2-171.8-112.3 100.5 20.6 11.8 36.1 5 6 A L T 34 S+ 0 0 46 -2,-0.7 -1,-0.1 1,-0.3 243,-0.0 0.749 82.3 58.8 -67.9 -26.5 20.2 10.9 39.8 6 7 A D T 34 S+ 0 0 164 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.747 108.2 48.5 -73.9 -21.4 23.8 9.9 40.3 7 8 A S T <4 S+ 0 0 87 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.725 88.5 98.3 -87.8 -24.8 24.9 13.4 39.2 8 9 A I S < S- 0 0 31 -4,-1.1 2,-0.2 1,-0.1 24,-0.1 -0.434 84.9-103.6 -71.9 136.5 22.5 15.4 41.5 9 10 A E - 0 0 117 -2,-0.1 2,-0.6 22,-0.1 22,-0.6 -0.376 27.9-134.0 -60.0 127.4 24.0 16.7 44.7 10 11 A R E -G 30 0B 118 -2,-0.2 2,-0.3 20,-0.1 20,-0.2 -0.756 23.9-151.7 -87.5 121.1 23.0 14.7 47.8 11 12 A R E +G 29 0B 79 18,-2.9 18,-1.8 -2,-0.6 2,-0.2 -0.720 17.3 176.7-100.3 143.0 22.0 17.1 50.6 12 13 A I E +G 28 0B 144 -2,-0.3 16,-0.1 16,-0.2 2,-0.1 -0.797 38.9 40.5-133.8 175.2 22.3 16.5 54.3 13 14 A G - 0 0 31 14,-0.5 2,-0.3 11,-0.4 14,-0.0 -0.406 68.9-112.3 81.6-162.5 21.7 18.4 57.5 14 15 A S - 0 0 24 2,-0.1 7,-0.1 -2,-0.1 -2,-0.0 -0.964 13.8-119.1-165.7 163.3 18.8 20.7 58.3 15 16 A V S S+ 0 0 88 -2,-0.3 6,-0.1 2,-0.0 5,-0.1 0.244 70.0 129.1 -93.6 9.7 17.9 24.4 58.9 16 17 A Y - 0 0 14 5,-0.2 5,-0.2 4,-0.2 2,-0.2 -0.397 60.1-113.0 -69.9 145.7 16.7 23.5 62.4 17 18 A P > - 0 0 29 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.466 61.1 -28.7 -86.0 147.9 18.1 25.6 65.2 18 19 A G G > S- 0 0 51 1,-0.3 3,-1.3 2,-0.2 4,-0.3 -0.175 129.3 -2.0 59.0-136.4 20.4 24.6 68.1 19 20 A R G > S+ 0 0 151 137,-2.5 3,-0.6 1,-0.2 -1,-0.3 0.638 124.5 71.3 -61.6 -15.6 20.1 21.1 69.2 20 21 A L G X S+ 0 0 9 -3,-2.0 3,-2.5 1,-0.2 4,-0.4 0.822 78.5 77.4 -76.1 -27.2 17.4 20.3 66.8 21 22 A N G X S+ 0 0 74 -3,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.835 92.7 51.5 -44.4 -42.8 19.8 20.5 63.8 22 23 A A G X S+ 0 0 54 -3,-0.6 3,-2.0 -4,-0.3 -1,-0.3 0.605 86.6 85.1 -74.7 -12.6 21.1 17.0 64.7 23 24 A A G < S+ 0 0 29 -3,-2.5 30,-0.4 1,-0.3 -1,-0.2 0.756 85.6 57.3 -61.8 -23.5 17.6 15.6 64.7 24 25 A X G X S+ 0 0 1 -3,-1.1 3,-1.9 -4,-0.4 -11,-0.4 0.123 72.1 135.5 -96.5 18.1 17.8 15.1 60.9 25 26 A D T < S+ 0 0 117 -3,-2.0 28,-0.3 1,-0.2 3,-0.1 -0.517 72.4 29.9 -60.5 130.2 21.0 12.9 61.1 26 27 A G T 3 S+ 0 0 30 1,-0.3 23,-2.9 -2,-0.2 2,-0.5 0.312 96.5 108.1 96.8 -8.1 20.3 10.0 58.7 27 28 A R E < + H 0 48B 57 -3,-1.9 -14,-0.5 21,-0.2 2,-0.3 -0.909 38.0 160.6 -99.4 125.5 18.1 12.1 56.4 28 29 A S E -GH 12 47B 12 19,-2.1 19,-3.5 -2,-0.5 2,-0.3 -0.942 13.1-170.2-134.7 164.6 19.5 13.1 53.0 29 30 A S E -GH 11 46B 22 -18,-1.8 -18,-2.9 -2,-0.3 2,-0.5 -0.980 22.0-135.6-153.5 157.3 17.8 14.2 49.8 30 31 A L E -GH 10 45B 5 15,-2.3 15,-2.1 -2,-0.3 2,-1.4 -0.986 22.6-136.6-115.8 127.5 18.1 14.9 46.1 31 32 A R E > + H 0 44B 104 -22,-0.6 4,-2.0 -2,-0.5 13,-0.2 -0.639 32.7 168.5 -85.2 85.9 16.5 18.1 44.8 32 33 A L H > + 0 0 0 -2,-1.4 4,-1.4 11,-1.2 -1,-0.2 0.850 69.3 55.1 -70.2 -39.4 14.9 16.7 41.6 33 34 A G H 4>S+ 0 0 0 10,-1.8 5,-3.0 2,-0.2 4,-0.3 0.912 111.3 43.5 -63.9 -44.9 12.7 19.6 40.7 34 35 A D H >45S+ 0 0 76 9,-0.3 3,-1.7 1,-0.2 -2,-0.2 0.928 110.6 56.6 -63.4 -45.4 15.6 22.1 40.7 35 36 A A H 3<5S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.6 45.1 -52.0 -33.2 17.8 19.6 38.8 36 37 A G T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.391 118.6-105.8 -98.3 0.3 15.0 19.6 36.2 37 38 A G T < 5 + 0 0 46 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.722 66.2 150.6 82.0 24.9 14.4 23.3 35.9 38 39 A L < + 0 0 7 -5,-3.0 -1,-0.3 -6,-0.2 5,-0.1 -0.670 18.4 169.4 -93.8 147.7 11.0 23.4 37.7 39 40 A S + 0 0 72 -2,-0.3 -1,-0.1 3,-0.1 3,-0.1 0.572 65.0 64.5-128.2 -21.6 9.9 26.5 39.7 40 41 A Q S S+ 0 0 53 1,-0.2 79,-2.3 78,-0.1 2,-0.3 0.694 113.1 11.1 -91.8 -23.5 6.2 26.0 40.6 41 42 A F E S- I 0 118B 2 77,-0.3 2,-0.3 236,-0.1 77,-0.3 -0.982 72.9-123.1-147.6 156.2 6.7 23.0 42.9 42 43 A G E - I 0 117B 9 75,-3.4 75,-2.1 -2,-0.3 2,-0.4 -0.754 17.1-164.8 -94.4 147.2 9.6 21.2 44.6 43 44 A V E + I 0 116B 1 -2,-0.3 -10,-1.8 73,-0.2 -11,-1.2 -0.980 12.6 176.9-129.8 118.7 10.3 17.5 44.1 44 45 A N E -HI 31 115B 44 71,-2.5 71,-3.0 -2,-0.4 2,-0.7 -0.973 24.9-148.7-123.7 137.1 12.7 15.9 46.5 45 46 A L E -HI 30 114B 17 -15,-2.1 -15,-2.3 -2,-0.4 2,-0.4 -0.939 28.1-164.0 -99.8 114.0 13.7 12.3 46.8 46 47 A V E -HI 29 113B 12 67,-3.1 67,-2.8 -2,-0.7 2,-0.5 -0.880 9.6-158.8-111.6 132.8 14.4 11.8 50.5 47 48 A R E -HI 28 112B 74 -19,-3.5 -19,-2.1 -2,-0.4 2,-0.6 -0.937 3.4-163.3-114.3 127.9 16.3 8.9 52.1 48 49 A L E -HI 27 111B 0 63,-3.4 63,-2.1 -2,-0.5 -21,-0.2 -0.962 9.0-148.9-114.8 116.2 15.9 8.0 55.7 49 50 A E > - 0 0 65 -23,-2.9 3,-1.9 -2,-0.6 56,-0.3 -0.276 52.9 -62.3 -64.2 166.8 18.5 5.7 57.3 50 51 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 56,-0.2 -0.285 129.1 12.4 -55.8 133.0 17.3 3.5 60.1 51 52 A G T 3 S+ 0 0 54 54,-2.8 55,-0.1 56,-0.4 57,-0.1 0.048 101.1 125.5 89.6 -25.3 16.0 5.6 62.9 52 53 A A < - 0 0 5 -3,-1.9 53,-2.9 -26,-0.2 2,-0.3 -0.091 46.0-146.7 -69.4 163.3 16.0 8.8 60.8 53 54 A K B -M 104 0C 71 -30,-0.4 51,-0.2 -28,-0.3 3,-0.1 -0.929 19.0-131.0-131.9 156.8 13.0 11.1 60.3 54 55 A S S S- 0 0 16 49,-2.5 2,-0.3 -2,-0.3 50,-0.1 0.773 81.6 -42.1 -72.8 -27.6 11.8 13.4 57.4 55 56 A S S S- 0 0 8 48,-0.3 2,-0.3 -32,-0.1 -1,-0.3 -0.949 74.4 -65.4 177.7 168.3 11.2 16.4 59.7 56 57 A L S S- 0 0 21 -2,-0.3 45,-0.2 1,-0.1 72,-0.0 -0.617 76.8 -82.5 -72.4 142.4 9.9 17.5 63.0 57 58 A R S S+ 0 0 36 -2,-0.3 71,-2.0 43,-0.1 72,-0.6 -0.261 78.7 137.3 -56.7 127.5 6.2 16.8 63.1 58 59 A H E -PQ 101 127D 17 43,-1.7 43,-2.8 69,-0.3 2,-0.3 -0.975 42.6-138.1-161.1 167.4 4.6 19.8 61.3 59 60 A Y E - Q 0 126D 44 67,-1.9 67,-2.0 -2,-0.3 2,-0.3 -0.990 20.1-127.8-139.6 150.4 2.0 21.2 58.9 60 61 A H E - Q 0 125D 29 -2,-0.3 36,-3.1 3,-0.2 65,-0.2 -0.736 5.2-159.7 -94.6 142.1 2.1 23.9 56.2 61 62 A X S S+ 0 0 80 63,-2.6 -1,-0.1 -2,-0.3 64,-0.1 0.868 90.3 22.5 -81.8 -39.7 -0.4 26.8 56.0 62 63 A E S S+ 0 0 71 62,-0.4 2,-0.5 33,-0.1 33,-0.2 0.748 107.5 70.3-106.9 -26.2 0.2 27.7 52.4 63 64 A Q - 0 0 23 61,-0.2 -3,-0.2 31,-0.1 33,-0.2 -0.823 64.3-138.7-107.9 129.4 1.7 24.8 50.5 64 65 A D - 0 0 3 -2,-0.5 54,-1.8 31,-0.1 2,-0.3 -0.440 26.0-159.0 -63.2 155.7 0.0 21.5 49.5 65 66 A E E -JK 93 117B 25 28,-1.2 28,-2.9 52,-0.2 2,-0.4 -0.999 13.2-171.8-147.9 140.1 2.2 18.5 49.9 66 67 A F E -JK 92 116B 1 50,-2.6 50,-3.3 -2,-0.3 2,-0.4 -0.997 4.3-171.8-135.9 141.6 2.3 15.0 48.5 67 68 A V E -JK 91 115B 3 24,-2.6 24,-2.4 -2,-0.4 2,-0.4 -0.992 8.1-177.9-134.4 136.2 4.4 11.9 49.4 68 69 A X E -JK 90 114B 8 46,-2.2 46,-3.1 -2,-0.4 2,-0.4 -0.999 27.0-130.4-127.1 133.2 4.9 8.5 47.9 69 70 A V E + K 0 113B 1 20,-2.7 19,-3.3 -2,-0.4 44,-0.3 -0.669 26.2 176.4 -78.8 130.7 7.1 5.8 49.4 70 71 A T E + 0 0 39 42,-2.3 2,-0.3 -2,-0.4 43,-0.2 0.726 63.0 15.0-105.2 -31.2 9.5 4.4 46.8 71 72 A E E S- K 0 112B 107 41,-1.9 41,-1.9 15,-0.1 -1,-0.3 -0.998 106.4 -1.4-146.6 147.2 11.6 2.0 48.9 72 73 A G S S- 0 0 27 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.226 86.0 -67.1 75.1-164.8 11.6 0.4 52.3 73 74 A A - 0 0 36 36,-0.2 34,-0.4 13,-0.2 2,-0.3 -0.986 48.4-179.5-131.4 136.5 8.9 0.9 54.9 74 75 A L E -N 85 0C 3 11,-3.0 11,-3.0 -2,-0.4 2,-0.5 -0.817 24.1-126.0-129.0 167.2 8.1 4.0 56.9 75 76 A V E -NO 84 104C 24 29,-2.1 29,-2.6 -2,-0.3 2,-0.7 -0.984 15.7-148.0-115.4 127.4 5.7 5.2 59.6 76 77 A L E -NO 83 103C 0 7,-3.5 7,-2.2 -2,-0.5 2,-0.6 -0.873 16.0-160.6 -92.7 117.5 3.6 8.2 59.0 77 78 A V E +NO 82 102C 17 25,-2.7 25,-1.4 -2,-0.7 5,-0.2 -0.900 26.5 142.4-102.0 119.8 3.0 10.0 62.3 78 79 A D E > -N 81 0C 4 3,-2.8 3,-2.7 -2,-0.6 23,-0.2 -0.745 67.9 -68.3-139.7-168.4 0.1 12.4 62.5 79 80 A D T 3 S+ 0 0 87 21,-0.3 3,-0.1 1,-0.3 22,-0.1 0.850 132.0 53.6 -51.6 -37.3 -2.7 13.5 64.9 80 81 A Q T 3 S- 0 0 116 1,-0.2 2,-0.3 19,-0.0 -1,-0.3 0.429 116.4-117.0 -79.3 -1.5 -4.3 10.1 64.6 81 82 A G E < -N 78 0C 28 -3,-2.7 -3,-2.8 2,-0.0 2,-0.4 -0.806 61.3 -3.5 104.8-143.5 -1.0 8.3 65.5 82 83 A E E -N 77 0C 116 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.759 50.3-176.4-103.1 131.7 1.2 5.9 63.5 83 84 A H E -N 76 0C 18 -7,-2.2 -7,-3.5 -2,-0.4 2,-0.1 -0.985 23.8-131.4-128.6 114.7 0.4 4.7 60.0 84 85 A P E -N 75 0C 95 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.437 21.6-162.9 -69.2 146.5 2.6 2.1 58.3 85 86 A X E -N 74 0C 1 -11,-3.0 -11,-3.0 -2,-0.1 3,-0.1 -0.989 7.4-175.8-137.3 120.2 3.7 3.0 54.7 86 87 A V > - 0 0 73 -2,-0.4 3,-2.5 -13,-0.2 -17,-0.4 -0.570 50.2 -58.5-109.9 170.4 5.1 0.5 52.2 87 88 A P T 3 S+ 0 0 72 0, 0.0 -17,-0.2 0, 0.0 -1,-0.1 -0.289 127.7 23.0 -57.4 131.6 6.4 1.2 48.6 88 89 A G T 3 S+ 0 0 31 -19,-3.3 2,-0.2 1,-0.4 -18,-0.1 0.130 90.3 128.1 94.8 -18.5 3.6 2.7 46.5 89 90 A D < - 0 0 28 -3,-2.5 -20,-2.7 -20,-0.1 -1,-0.4 -0.518 41.3-165.8 -68.1 141.3 1.8 4.0 49.5 90 91 A C E -J 68 0B 0 72,-0.3 72,-2.7 -22,-0.2 2,-0.3 -0.924 12.8-166.8-129.4 152.0 1.0 7.7 49.2 91 92 A A E -JL 67 161B 0 -24,-2.4 -24,-2.6 -2,-0.3 2,-0.4 -0.985 7.1-153.5-138.4 147.2 -0.2 10.4 51.5 92 93 A A E -J 66 0B 2 68,-1.6 -26,-0.2 -2,-0.3 -28,-0.0 -0.969 4.3-167.8-124.1 137.4 -1.6 14.0 50.8 93 94 A F E -J 65 0B 12 -28,-2.9 -28,-1.2 -2,-0.4 -33,-0.1 -0.859 16.5-147.7-127.2 95.0 -1.4 17.0 53.1 94 95 A P > - 0 0 39 0, 0.0 3,-1.6 0, 0.0 -30,-0.1 -0.349 33.7 -94.3 -63.3 141.6 -3.6 19.9 52.0 95 96 A A T 3 S+ 0 0 30 1,-0.2 -34,-0.2 -33,-0.2 -31,-0.1 -0.312 108.8 13.4 -55.1 129.1 -2.3 23.4 52.8 96 97 A G T 3 S+ 0 0 26 -36,-3.1 -1,-0.2 1,-0.3 -35,-0.1 0.079 82.1 132.3 95.2 -22.5 -3.8 24.6 56.1 97 98 A D < - 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