==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/APOPTOSIS 15-FEB-11 3QQ8 . COMPND 2 MOLECULE: TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.HAENZELMANN,H.SCHINDELIN . 257 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 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 PARALLEL BRIDGES PER LADDER . 1 1 3 1 2 2 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 . 0 1 1 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 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 10 A D 0 0 101 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -86.0 46.1 -36.6 -12.2 2 11 A D > - 0 0 53 1,-0.1 3,-0.9 2,-0.0 51,-0.1 -0.368 360.0-131.5 -70.1 153.3 45.7 -37.9 -8.6 3 12 A L T 3 S+ 0 0 27 49,-0.3 -1,-0.1 1,-0.2 50,-0.1 0.775 113.8 58.1 -64.1 -28.0 44.9 -35.6 -5.7 4 13 A S T 3 S+ 0 0 96 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.319 96.8 77.1 -89.2 5.0 47.8 -37.5 -4.2 5 14 A T < + 0 0 61 -3,-0.9 2,-0.3 2,-0.0 0, 0.0 -0.899 46.3 153.5-121.9 151.3 50.4 -36.6 -6.9 6 15 A A - 0 0 71 -2,-0.3 2,-0.3 -5,-0.0 -3,-0.0 -0.950 34.9-126.6-163.7 144.7 52.5 -33.6 -7.7 7 16 A I - 0 0 110 -2,-0.3 3,-0.2 1,-0.1 -2,-0.0 -0.722 28.9-122.1 -89.9 155.4 55.7 -32.6 -9.3 8 17 A L S S+ 0 0 186 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.856 104.9 48.9 -61.2 -39.8 58.2 -30.6 -7.3 9 18 A K S S+ 0 0 178 2,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.824 83.5 139.7-109.8 95.5 58.3 -27.8 -9.9 10 19 A Q - 0 0 89 -2,-0.7 2,-0.2 -3,-0.2 3,-0.1 -0.991 55.7-114.6-147.0 135.5 54.7 -26.9 -10.8 11 20 A K - 0 0 195 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.512 59.0 -92.2 -65.3 135.3 52.4 -24.0 -11.6 12 21 A N - 0 0 146 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 0.136 32.2-120.9 -50.8 165.0 49.7 -23.8 -8.8 13 22 A R > - 0 0 56 1,-0.1 3,-1.4 -3,-0.1 -1,-0.1 -0.844 24.5-179.5-120.2 95.9 46.4 -25.6 -9.0 14 23 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 26,-0.1 0.612 78.7 70.5 -64.3 -16.0 43.4 -23.2 -8.8 15 24 A N T 3 S+ 0 0 42 24,-0.1 78,-1.9 2,-0.1 2,-0.7 0.307 70.7 99.1 -93.4 10.7 41.1 -26.2 -9.1 16 25 A R E < +A 92 0A 90 -3,-1.4 2,-0.3 76,-0.2 76,-0.2 -0.876 56.7 179.3 -98.1 115.7 41.8 -27.7 -5.7 17 26 A L E -A 91 0A 0 74,-2.2 74,-2.7 -2,-0.7 2,-0.5 -0.835 29.5-115.8-124.8 152.6 39.0 -26.7 -3.4 18 27 A I E -Ab 90 72A 59 53,-2.6 55,-2.7 -2,-0.3 72,-0.2 -0.743 35.5-115.7 -92.7 127.9 38.0 -27.3 0.3 19 28 A V E + b 0 73A 3 70,-3.2 69,-2.7 -2,-0.5 2,-0.3 -0.406 42.0 172.8 -65.3 129.6 34.8 -29.2 0.9 20 29 A D E - b 0 74A 29 53,-3.0 55,-2.1 67,-0.2 48,-0.0 -0.838 36.5 -74.9-133.9 168.5 32.1 -27.2 2.7 21 30 A E E - b 0 75A 119 -2,-0.3 2,-0.2 53,-0.2 55,-0.2 -0.306 45.2-119.8 -66.7 146.8 28.4 -27.7 3.6 22 31 A A - 0 0 17 53,-0.5 3,-0.1 52,-0.2 -1,-0.1 -0.555 22.8-176.2 -79.1 146.3 25.7 -27.5 1.0 23 32 A I S S+ 0 0 101 -2,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.638 84.4 62.8-103.1 -37.7 22.9 -24.9 1.2 24 33 A N S S- 0 0 56 1,-0.1 -1,-0.2 2,-0.1 52,-0.1 -0.792 77.7-158.0 -81.8 110.6 21.3 -26.6 -1.9 25 34 A E + 0 0 127 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.193 48.5 126.0 -79.6 21.3 20.5 -30.1 -0.7 26 35 A D > - 0 0 31 1,-0.1 3,-1.1 50,-0.0 50,-0.4 -0.613 59.9-139.1 -88.2 134.8 20.4 -31.5 -4.3 27 36 A N T 3 S+ 0 0 22 -2,-0.3 -1,-0.1 1,-0.2 49,-0.1 0.734 99.9 50.2 -60.9 -26.7 22.6 -34.6 -5.1 28 37 A S T 3 S+ 0 0 6 32,-0.1 33,-3.0 47,-0.0 2,-0.4 0.576 95.4 89.1 -91.2 -9.7 23.6 -33.3 -8.5 29 38 A V E < +c 61 0A 3 -3,-1.1 47,-0.5 31,-0.2 2,-0.3 -0.755 41.3 175.6-104.8 133.4 24.8 -29.8 -7.5 30 39 A V E -cD 62 75A 0 31,-2.4 33,-2.5 -2,-0.4 2,-0.4 -0.943 20.4-146.1-119.1 153.9 28.0 -28.3 -6.3 31 40 A S E +cD 63 74A 8 43,-1.8 43,-2.4 -2,-0.3 2,-0.3 -0.964 18.1 173.7-125.0 136.2 28.5 -24.6 -5.7 32 41 A L E -c 64 0A 0 31,-2.1 33,-2.4 -2,-0.4 36,-0.2 -0.854 40.3 -93.2-126.4 165.4 31.5 -22.3 -6.2 33 42 A S > - 0 0 4 39,-0.4 4,-2.1 36,-0.4 5,-0.1 -0.414 37.4-117.0 -70.6 156.2 32.0 -18.6 -5.8 34 43 A Q H > S+ 0 0 55 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 115.3 53.5 -63.1 -43.9 31.6 -16.7 -9.1 35 44 A P H > S+ 0 0 71 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.893 109.0 49.2 -58.4 -37.7 35.2 -15.5 -9.1 36 45 A K H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 111.7 48.9 -67.7 -39.4 36.4 -19.1 -8.7 37 46 A M H <>S+ 0 0 0 -4,-2.1 5,-3.2 2,-0.2 4,-0.3 0.902 111.6 49.7 -63.8 -41.3 34.1 -20.1 -11.6 38 47 A D H ><5S+ 0 0 96 -4,-2.9 3,-1.1 3,-0.2 -2,-0.2 0.932 111.0 49.6 -59.0 -47.9 35.5 -17.2 -13.7 39 48 A E H 3<5S+ 0 0 110 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 116.1 41.7 -58.9 -39.9 39.0 -18.3 -12.8 40 49 A L T 3<5S- 0 0 30 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.371 110.4-122.2 -89.2 3.0 38.2 -21.9 -13.9 41 50 A Q T < 5 + 0 0 177 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.2 0.906 56.6 159.0 53.5 45.0 36.3 -20.8 -16.9 42 51 A L < - 0 0 5 -5,-3.2 2,-0.4 -8,-0.1 -1,-0.2 -0.808 30.1-148.7-100.2 142.3 33.2 -22.6 -15.6 43 52 A F > - 0 0 12 -2,-0.4 3,-2.7 4,-0.1 19,-0.3 -0.850 34.0 -90.3-110.6 142.0 29.7 -21.7 -16.8 44 53 A R T 3 S+ 0 0 53 -2,-0.4 19,-0.2 1,-0.3 3,-0.1 -0.293 115.5 16.8 -54.9 122.8 26.5 -22.0 -14.7 45 54 A G T 3 S+ 0 0 12 17,-3.0 -1,-0.3 1,-0.3 18,-0.1 0.351 89.7 146.2 93.3 -5.5 25.0 -25.4 -15.2 46 55 A D < - 0 0 30 -3,-2.7 16,-2.2 16,-0.4 2,-0.3 -0.312 53.9-115.2 -56.9 144.2 28.2 -26.9 -16.8 47 56 A T E -E 61 0A 14 14,-0.2 49,-2.0 49,-0.1 2,-0.3 -0.672 39.0-168.6 -79.1 137.8 28.9 -30.6 -16.0 48 57 A V E -EF 60 95A 0 12,-3.4 12,-2.1 -2,-0.3 2,-0.5 -0.911 20.0-133.7-127.8 156.6 32.0 -31.0 -13.9 49 58 A L E -EF 59 94A 13 45,-3.0 45,-1.6 -2,-0.3 2,-0.4 -0.950 21.8-162.7-109.9 124.6 34.1 -33.9 -12.8 50 59 A L E -EF 58 93A 0 8,-3.4 8,-1.9 -2,-0.5 2,-0.4 -0.869 2.7-156.6-107.0 139.2 35.2 -34.1 -9.2 51 60 A K E +EF 57 92A 43 41,-2.3 41,-1.8 -2,-0.4 6,-0.2 -0.956 20.3 163.9-116.6 135.6 38.0 -36.2 -7.8 52 61 A G > - 0 0 5 4,-2.6 3,-0.5 -2,-0.4 -49,-0.3 -0.259 42.1 -38.0-123.3-151.4 38.1 -37.3 -4.2 53 62 A K G > S+ 0 0 84 30,-1.6 3,-2.4 1,-0.2 -1,-0.3 -0.347 116.2 19.7 -73.6 158.4 39.9 -39.8 -2.0 54 63 A K G 3 S- 0 0 154 1,-0.3 -1,-0.2 -2,-0.1 30,-0.0 0.841 130.3 -67.6 56.4 36.3 40.8 -43.4 -3.0 55 64 A R G < S+ 0 0 180 -3,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.726 89.3 157.4 49.5 29.7 40.4 -42.4 -6.7 56 65 A R < - 0 0 54 -3,-2.4 -4,-2.6 27,-0.3 2,-0.3 -0.544 20.2-167.6 -73.7 146.4 36.7 -41.9 -6.3 57 66 A E E - E 0 51A 46 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.924 10.3-174.6-132.1 159.3 35.1 -39.6 -8.9 58 67 A A E - E 0 50A 3 -8,-1.9 -8,-3.4 -2,-0.3 2,-0.5 -0.987 16.9-140.3-148.8 150.7 31.7 -37.9 -9.2 59 68 A V E + E 0 49A 7 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.954 32.3 160.9-113.1 133.2 30.0 -35.8 -11.9 60 69 A C E - E 0 48A 2 -12,-2.1 -12,-3.4 -2,-0.5 2,-0.4 -0.849 40.6-107.6-138.0 173.6 28.0 -32.8 -10.9 61 70 A I E -cE 29 47A 5 -33,-3.0 -31,-2.4 -2,-0.3 2,-0.5 -0.914 35.8-134.9-102.4 137.3 26.5 -29.6 -12.2 62 71 A V E +c 30 0A 0 -16,-2.2 -17,-3.0 -2,-0.4 -16,-0.4 -0.801 24.9 176.8-100.4 129.9 28.2 -26.4 -11.0 63 72 A L E -c 31 0A 9 -33,-2.5 -31,-2.1 -2,-0.5 2,-0.2 -0.938 30.7-112.5-122.5 152.9 26.3 -23.4 -9.8 64 73 A S E -c 32 0A 38 -2,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.550 27.0-165.0 -79.7 149.7 27.6 -20.1 -8.4 65 74 A D > - 0 0 10 -33,-2.4 3,-1.1 -2,-0.2 -31,-0.2 -0.973 16.3-153.8-137.1 124.0 26.9 -19.2 -4.8 66 75 A D T 3 S+ 0 0 158 -2,-0.4 -33,-0.1 1,-0.2 -1,-0.1 0.560 97.0 51.4 -75.3 -7.1 27.4 -15.7 -3.4 67 76 A T T 3 S+ 0 0 80 -35,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.470 86.3 104.4-102.8 -4.4 28.1 -17.0 0.2 68 77 A C S < S- 0 0 9 -3,-1.1 -34,-0.1 -36,-0.2 2,-0.1 -0.598 73.9-122.9 -79.7 133.5 30.8 -19.5 -0.9 69 78 A S > - 0 0 49 -2,-0.3 3,-1.9 1,-0.1 -36,-0.4 -0.453 26.5-113.3 -70.5 151.2 34.4 -18.6 -0.1 70 79 A D T 3 S+ 0 0 83 1,-0.3 -37,-0.2 -38,-0.1 -1,-0.1 0.861 115.3 47.4 -57.0 -36.8 36.6 -18.5 -3.2 71 80 A E T 3 S+ 0 0 97 -54,-0.1 -53,-2.6 -39,-0.1 -1,-0.3 0.450 103.4 79.9 -84.9 1.7 38.7 -21.5 -2.0 72 81 A K E < -b 18 0A 61 -3,-1.9 2,-0.4 -55,-0.2 -39,-0.4 -0.702 58.2-152.9-114.9 158.6 35.7 -23.7 -1.1 73 82 A I E -b 19 0A 0 -55,-2.7 -53,-3.0 -2,-0.3 2,-0.4 -0.996 15.5-142.2-128.0 127.9 33.2 -26.0 -2.7 74 83 A R E +bD 20 31A 35 -43,-2.4 -43,-1.8 -2,-0.4 2,-0.3 -0.741 31.5 160.8 -86.8 131.7 29.7 -26.6 -1.3 75 84 A M E -bD 21 30A 0 -55,-2.1 -53,-0.5 -2,-0.4 -45,-0.1 -0.990 33.4-115.9-151.5 149.3 28.5 -30.2 -1.7 76 85 A N > - 0 0 4 -47,-0.5 4,-2.4 -50,-0.4 3,-0.3 -0.182 37.6 -96.6 -81.9 174.8 25.8 -32.3 -0.1 77 86 A R H > S+ 0 0 164 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.816 119.8 57.3 -61.0 -35.9 26.3 -35.5 2.0 78 87 A V H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 110.3 42.5 -64.3 -44.4 25.6 -37.8 -1.0 79 88 A V H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.922 113.5 52.4 -69.3 -44.9 28.4 -36.3 -3.1 80 89 A R H X>S+ 0 0 41 -4,-2.4 5,-2.2 1,-0.2 4,-0.9 0.916 110.6 49.1 -52.2 -45.6 30.7 -36.2 -0.1 81 90 A N H ><5S+ 0 0 82 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.927 109.4 50.1 -64.6 -44.8 30.0 -39.9 0.5 82 91 A N H 3<5S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.0 44.3 -60.5 -31.8 30.6 -40.9 -3.1 83 92 A L H 3<5S- 0 0 0 -4,-2.0 -30,-1.6 -5,-0.1 -27,-0.3 0.554 106.3-129.0 -88.7 -9.4 33.9 -39.0 -2.9 84 93 A R T <<5 + 0 0 103 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.835 63.5 134.1 63.8 32.5 34.9 -40.4 0.5 85 94 A V < - 0 0 4 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.724 44.9-149.0-111.5 163.8 35.5 -36.9 1.8 86 95 A R > - 0 0 177 -2,-0.3 3,-2.3 -3,-0.1 -67,-0.3 -0.857 44.9 -73.9-119.0 161.9 34.7 -35.0 4.9 87 96 A L T 3 S+ 0 0 82 -2,-0.3 -67,-0.2 1,-0.3 3,-0.1 -0.301 122.9 28.8 -50.9 133.5 34.1 -31.2 5.4 88 97 A G T 3 S+ 0 0 48 -69,-2.7 -1,-0.3 1,-0.4 -68,-0.1 0.312 93.6 122.2 93.4 -8.5 37.4 -29.5 5.2 89 98 A D < - 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