==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT/LIGASE 22-AUG-11 3TIW . COMPND 2 MOLECULE: TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.HAENZELMANN,H.SCHINDELIN . 358 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 PARALLEL BRIDGES PER LADDER . 2 0 3 3 3 3 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 2 0 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 22 A R 0 0 135 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.0 16.5 -30.4 0.0 2 23 A P - 0 0 77 0, 0.0 2,-0.6 0, 0.0 80,-0.1 -0.118 360.0 -99.7 -66.2 167.5 17.1 -26.8 -1.3 3 24 A N - 0 0 72 78,-0.5 78,-2.6 25,-0.0 2,-0.3 -0.822 45.5-161.8 -96.2 119.0 19.1 -26.1 -4.5 4 25 A R E +A 80 0A 155 -2,-0.6 2,-0.3 76,-0.2 76,-0.2 -0.768 15.7 173.6-116.5 144.5 22.6 -25.1 -3.7 5 26 A L E -A 79 0A 3 74,-1.8 74,-2.0 -2,-0.3 2,-0.5 -0.940 33.1-108.3-141.5 156.5 25.5 -23.4 -5.6 6 27 A I E -Ab 78 60A 51 53,-2.7 55,-2.7 -2,-0.3 2,-0.3 -0.783 37.8-115.2 -92.6 127.8 29.0 -22.1 -5.0 7 28 A V E + b 0 61A 1 70,-3.2 69,-2.7 -2,-0.5 2,-0.3 -0.426 41.2 177.1 -62.8 122.4 29.4 -18.3 -4.9 8 29 A D E - b 0 62A 29 53,-3.4 55,-1.9 -2,-0.3 2,-0.2 -0.808 33.1 -91.8-122.5 166.9 31.6 -17.1 -7.7 9 30 A E E - b 0 63A 103 -2,-0.3 2,-0.4 53,-0.2 55,-0.2 -0.505 35.1-129.5 -80.7 144.1 32.7 -13.6 -8.8 10 31 A A - 0 0 14 53,-0.7 55,-0.1 -2,-0.2 3,-0.1 -0.743 17.8-172.2 -93.0 141.2 30.7 -11.6 -11.4 11 32 A I S S+ 0 0 142 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 0.669 82.5 69.3 -98.6 -27.8 32.4 -10.0 -14.4 12 33 A N S S- 0 0 47 2,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.835 79.4-154.1 -82.1 119.3 29.1 -8.3 -15.2 13 34 A E + 0 0 101 -2,-0.6 2,-0.5 51,-0.1 -1,-0.1 -0.287 41.2 139.0 -96.9 50.9 28.7 -5.8 -12.4 14 35 A D > - 0 0 10 -2,-0.6 3,-1.0 1,-0.1 50,-0.4 -0.831 46.2-148.8 -94.7 127.2 24.9 -5.5 -12.4 15 36 A N T 3 S+ 0 0 21 -2,-0.5 -1,-0.1 1,-0.2 49,-0.0 0.767 93.8 49.8 -63.0 -26.6 23.3 -5.3 -8.9 16 37 A S T 3 S+ 0 0 6 32,-0.1 33,-3.0 158,-0.0 2,-0.4 0.466 97.9 78.3 -96.3 -4.3 20.1 -7.1 -10.0 17 38 A V E < -c 49 0A 7 -3,-1.0 47,-0.4 31,-0.2 2,-0.3 -0.867 45.9-174.5-117.8 139.8 21.5 -10.1 -11.9 18 39 A V E -c 50 0A 0 31,-2.4 33,-2.2 -2,-0.4 2,-0.4 -0.950 21.4-141.7-118.9 149.7 22.9 -13.5 -10.9 19 40 A S E +cD 51 62A 13 43,-2.2 43,-2.1 -2,-0.3 2,-0.3 -0.915 19.6 175.3-116.0 138.8 24.3 -15.8 -13.6 20 41 A L E -c 52 0A 0 31,-2.0 33,-1.8 -2,-0.4 2,-0.2 -0.859 39.6 -93.5-125.9 167.4 24.1 -19.6 -13.9 21 42 A S > - 0 0 3 39,-0.4 4,-2.1 36,-0.3 5,-0.2 -0.545 34.8-121.1 -74.9 146.9 25.3 -22.1 -16.5 22 43 A Q H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.903 113.9 55.6 -58.5 -41.1 22.6 -22.9 -19.0 23 44 A P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.917 108.7 47.4 -56.2 -43.1 22.8 -26.6 -18.0 24 45 A K H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.853 110.7 52.4 -66.1 -34.4 22.2 -25.7 -14.4 25 46 A M H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-0.9 0.941 108.2 50.6 -66.0 -45.8 19.2 -23.6 -15.4 26 47 A D H ><5S+ 0 0 100 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.947 111.9 48.2 -52.2 -53.0 17.7 -26.4 -17.4 27 48 A E H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.895 116.9 41.2 -55.8 -45.0 18.1 -28.7 -14.4 28 49 A L H 3<5S- 0 0 23 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.472 108.1-124.9 -86.0 -2.8 16.5 -26.1 -12.1 29 50 A Q T <<5 + 0 0 151 -3,-1.0 2,-0.3 -4,-0.9 -3,-0.2 0.922 59.4 147.8 55.5 46.0 13.9 -25.2 -14.6 30 51 A L < - 0 0 4 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.848 29.4-159.3-105.5 148.2 14.8 -21.5 -14.5 31 52 A F > - 0 0 106 -2,-0.3 3,-2.7 -3,-0.1 19,-0.3 -0.902 34.6 -71.6-130.4 159.3 14.5 -19.3 -17.5 32 53 A R T 3 S+ 0 0 82 -2,-0.3 139,-0.3 1,-0.3 19,-0.2 -0.201 119.8 14.1 -53.6 125.1 16.0 -16.0 -18.6 33 54 A G T 3 S+ 0 0 0 17,-2.4 -1,-0.3 1,-0.3 18,-0.1 0.280 87.5 146.2 95.1 -9.4 14.6 -13.2 -16.6 34 55 A D < - 0 0 43 -3,-2.7 16,-1.8 16,-0.3 2,-0.4 -0.333 50.3-124.2 -59.2 136.6 13.1 -15.4 -13.9 35 56 A T E -E 49 0A 9 14,-0.2 49,-2.3 49,-0.1 2,-0.3 -0.699 32.6-167.5 -81.2 136.8 13.1 -13.8 -10.5 36 57 A V E -EF 48 83A 0 12,-2.9 12,-2.0 -2,-0.4 2,-0.6 -0.944 19.8-134.3-127.2 147.3 14.8 -16.0 -7.9 37 58 A L E -EF 47 82A 13 45,-3.1 45,-1.8 -2,-0.3 2,-0.4 -0.904 24.0-161.9-100.4 121.1 15.1 -15.9 -4.2 38 59 A L E -EF 46 81A 0 8,-3.3 8,-2.0 -2,-0.6 2,-0.5 -0.844 1.7-156.4-105.2 140.9 18.6 -16.4 -2.9 39 60 A K E +EF 45 80A 78 41,-2.2 41,-1.9 -2,-0.4 6,-0.2 -0.974 20.7 159.4-121.1 126.8 19.4 -17.4 0.7 40 61 A G - 0 0 25 4,-2.2 3,-0.3 -2,-0.5 2,-0.2 0.068 44.7 -44.5-113.0-136.3 22.7 -16.8 2.4 41 62 A K S > S+ 0 0 92 30,-2.6 3,-1.3 1,-0.2 -1,-0.2 -0.614 111.0 31.5-101.3 160.9 23.9 -16.5 6.0 42 63 A K T 3 S- 0 0 165 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.876 129.3 -69.1 62.2 38.7 22.3 -14.8 9.0 43 64 A R T 3 S+ 0 0 171 -3,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.758 92.7 157.3 47.6 31.3 18.8 -15.5 7.5 44 65 A R < - 0 0 43 -3,-1.3 -4,-2.2 27,-0.3 2,-0.3 -0.597 20.8-170.3 -83.2 145.4 19.6 -13.0 4.8 45 66 A E E - E 0 39A 51 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.926 7.6-169.8-130.8 156.8 17.7 -13.2 1.5 46 67 A A E - E 0 38A 4 -8,-2.0 -8,-3.3 -2,-0.3 2,-0.5 -0.986 12.8-145.4-142.5 150.7 18.1 -11.5 -1.9 47 68 A V E + E 0 37A 3 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.979 31.2 158.4-120.1 123.6 15.9 -11.3 -5.0 48 69 A C E - E 0 36A 4 -12,-2.0 -12,-2.9 -2,-0.5 2,-0.3 -0.869 42.1-105.9-136.9 167.5 17.5 -11.2 -8.4 49 70 A I E -cE 17 35A 3 -33,-3.0 -31,-2.4 -2,-0.3 2,-0.4 -0.725 37.3-134.2 -88.1 143.8 16.9 -11.9 -12.1 50 71 A V E +c 18 0A 0 -16,-1.8 -17,-2.4 -2,-0.3 2,-0.3 -0.872 25.5 176.5-103.7 134.3 18.6 -15.0 -13.4 51 72 A L E -c 19 0A 8 -33,-2.2 -31,-2.0 -2,-0.4 2,-0.1 -0.988 31.2-110.9-130.3 148.8 20.6 -15.1 -16.7 52 73 A S E -c 20 0A 51 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.391 28.0-168.8 -72.5 155.6 22.6 -17.8 -18.4 53 74 A D > - 0 0 26 -33,-1.8 3,-1.9 3,-0.1 -31,-0.1 -0.907 17.4-157.8-151.1 109.1 26.4 -17.4 -18.5 54 75 A D T 3 S+ 0 0 152 -2,-0.3 -33,-0.1 1,-0.3 -1,-0.0 0.590 96.1 60.3 -67.5 -9.8 28.4 -19.8 -20.7 55 76 A T T 3 S+ 0 0 85 -35,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.364 86.0 99.2 -95.3 3.3 31.4 -18.9 -18.6 56 77 A C S < S- 0 0 9 -3,-1.9 2,-0.1 -36,-0.2 -3,-0.1 -0.786 73.8-126.4-100.5 131.0 29.8 -20.3 -15.4 57 78 A S > - 0 0 57 -2,-0.4 3,-2.6 1,-0.1 -36,-0.3 -0.492 28.5-115.1 -70.6 143.7 30.5 -23.7 -14.0 58 79 A D T 3 S+ 0 0 80 1,-0.3 -37,-0.2 -2,-0.1 -1,-0.1 0.837 115.2 46.9 -48.2 -39.1 27.4 -25.8 -13.5 59 80 A E T 3 S+ 0 0 105 -54,-0.1 -53,-2.7 -39,-0.1 -1,-0.3 0.406 105.0 76.8 -88.7 3.2 27.9 -25.8 -9.8 60 81 A K E < -b 6 0A 59 -3,-2.6 -39,-0.4 -55,-0.2 2,-0.4 -0.714 59.9-151.0-116.3 162.6 28.6 -22.1 -9.4 61 82 A I E -b 7 0A 0 -55,-2.7 -53,-3.4 -2,-0.2 2,-0.6 -0.994 13.7-141.8-132.8 126.4 26.7 -18.8 -9.3 62 83 A R E +bD 8 19A 46 -43,-2.1 -43,-2.2 -2,-0.4 2,-0.3 -0.788 34.3 155.4 -88.5 121.6 28.2 -15.5 -10.5 63 84 A M E -b 9 0A 0 -55,-1.9 -53,-0.7 -2,-0.6 -45,-0.1 -0.992 36.5-118.0-144.6 146.4 27.1 -12.6 -8.3 64 85 A N > - 0 0 0 -47,-0.4 4,-2.6 -50,-0.4 5,-0.2 -0.134 37.0 -95.3 -80.0 178.7 28.6 -9.2 -7.6 65 86 A R H > S+ 0 0 153 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.819 121.3 59.2 -68.2 -31.3 29.8 -7.8 -4.3 66 87 A V H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.966 111.6 39.9 -58.2 -54.3 26.6 -6.0 -3.6 67 88 A V H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.941 116.3 50.6 -59.5 -48.8 24.6 -9.2 -3.8 68 89 A R H <>S+ 0 0 15 -4,-2.6 5,-2.2 1,-0.2 4,-0.5 0.935 111.0 49.8 -55.3 -47.2 27.2 -11.1 -1.9 69 90 A N H ><5S+ 0 0 82 -4,-3.2 3,-1.0 1,-0.2 -1,-0.2 0.885 108.2 52.7 -60.0 -41.4 27.2 -8.5 0.8 70 91 A N H 3<5S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 112.9 44.1 -63.7 -30.5 23.5 -8.6 1.1 71 92 A L T 3<5S- 0 0 0 -4,-1.8 -30,-2.6 -3,-0.4 -27,-0.3 0.418 110.2-123.3 -92.2 -0.5 23.5 -12.3 1.6 72 93 A R T < 5 + 0 0 76 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.919 67.0 131.9 54.0 49.0 26.5 -12.1 4.0 73 94 A V < - 0 0 7 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.885 45.6-147.6-128.0 161.3 28.6 -14.4 1.9 74 95 A R > - 0 0 202 -2,-0.3 3,-2.4 -3,-0.1 -67,-0.2 -0.809 45.1 -73.4-118.1 160.7 32.1 -14.6 0.5 75 96 A L T 3 S+ 0 0 78 -2,-0.3 -67,-0.2 1,-0.3 -1,-0.1 -0.273 122.5 28.2 -47.1 136.3 33.4 -16.1 -2.7 76 97 A G T 3 S+ 0 0 47 -69,-2.7 -1,-0.3 1,-0.3 -68,-0.1 0.260 93.7 120.5 91.5 -13.0 33.4 -19.9 -2.3 77 98 A D < - 0 0 44 -3,-2.4 -70,-3.2 -71,-0.1 2,-0.4 -0.252 63.2-115.6 -72.5 170.2 30.5 -20.0 0.1 78 99 A V E +A 6 0A 63 -72,-0.2 2,-0.3 -3,-0.1 -72,-0.2 -0.916 32.6 176.0-113.0 140.1 27.3 -21.9 -0.6 79 100 A I E -A 5 0A 4 -74,-2.0 -74,-1.8 -2,-0.4 2,-0.4 -0.809 25.5-120.9-127.6 167.5 23.9 -20.3 -1.1 80 101 A S E -AF 4 39A 16 -41,-1.9 -41,-2.2 -2,-0.3 2,-0.4 -0.883 20.7-162.0-109.9 151.2 20.5 -21.7 -2.0 81 102 A I E + F 0 38A 3 -78,-2.6 -78,-0.5 -2,-0.4 -43,-0.2 -0.999 14.6 165.0-132.4 132.3 18.5 -20.6 -5.0 82 103 A Q E - F 0 37A 74 -45,-1.8 -45,-3.1 -2,-0.4 -2,-0.0 -0.980 42.6 -91.2-141.1 153.6 14.7 -21.1 -5.6 83 104 A P E - F 0 36A 76 0, 0.0 -47,-0.2 0, 0.0 3,-0.1 -0.276 27.5-164.3 -61.8 150.1 12.2 -19.6 -8.0 84 105 A C > + 0 0 5 -49,-2.3 3,-0.9 1,-0.1 -49,-0.1 -0.589 24.8 156.2-133.6 71.1 10.3 -16.6 -6.8 85 106 A P T 3 + 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.514 60.0 71.1 -80.8 -5.8 7.4 -16.4 -9.2 86 107 A D T 3 + 0 0 85 -3,-0.1 2,-0.1 -51,-0.0 -2,-0.0 0.292 64.6 133.7 -95.0 11.2 5.0 -14.4 -6.9 87 108 A V < - 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