==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-JAN-10 2X25 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LAMMERS,H.NEUMANN,J.W.CHIN,L.C.JAMES . 168 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 63.7 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 . 51 30.4 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 13 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 1 0 0 0 1 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 . 3 0 2 3 0 0 1 1 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 0 0 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 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 -3 B H 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.4 29.5 -2.6 -24.0 2 -2 B H + 0 0 193 2,-0.1 2,-0.1 0, 0.0 0, 0.0 0.569 360.0 99.1 -89.9 -13.4 31.0 0.6 -22.8 3 -1 B H S S- 0 0 161 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.429 80.2-108.7 -73.9 147.0 27.7 2.0 -21.5 4 0 B H - 0 0 158 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.234 52.1 -80.1 -62.6 157.6 26.7 1.8 -17.9 5 1 B H - 0 0 177 25,-0.0 2,-0.4 26,-0.0 -1,-0.1 -0.429 47.0-162.5 -58.2 136.1 24.0 -0.6 -17.0 6 2 B V - 0 0 107 -3,-0.1 3,-0.1 -2,-0.1 -3,-0.0 -0.993 28.8-107.4-121.1 135.6 20.5 0.7 -17.7 7 3 B N - 0 0 24 -2,-0.4 22,-0.1 1,-0.1 0, 0.0 -0.339 46.5-111.6 -57.1 130.2 17.5 -1.0 -16.2 8 4 B P - 0 0 19 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.277 21.5-145.8 -66.6 151.9 15.8 -2.9 -19.0 9 5 B T E +A 27 0A 18 159,-0.5 159,-2.7 18,-0.2 2,-0.3 -0.978 20.8 180.0-114.2 127.0 12.4 -1.9 -20.4 10 6 B V E -AB 26 167A 0 16,-2.0 16,-2.8 -2,-0.5 2,-0.3 -0.877 9.9-149.4-122.8 159.6 10.1 -4.7 -21.5 11 7 B F E -AB 25 166A 19 155,-2.6 155,-1.8 -2,-0.3 2,-0.4 -0.953 8.8-157.6-128.6 153.7 6.6 -4.6 -23.0 12 8 B F E -AB 24 165A 1 12,-2.7 12,-2.6 -2,-0.3 2,-0.6 -0.998 11.1-151.0-119.9 132.0 3.5 -6.6 -23.1 13 9 B D E -AB 23 164A 41 151,-3.1 150,-1.9 -2,-0.4 151,-1.3 -0.928 26.3-152.6 -97.3 112.2 0.9 -6.3 -25.9 14 10 B I E -AB 22 162A 4 8,-3.2 7,-3.2 -2,-0.6 8,-1.2 -0.682 13.3-168.4 -93.7 141.9 -2.4 -7.2 -24.2 15 11 B A E -AB 20 161A 4 146,-2.5 146,-2.5 -2,-0.3 2,-0.5 -0.944 11.6-151.2-124.1 151.4 -5.4 -8.7 -25.9 16 12 B V E > S-AB 19 160A 17 3,-2.5 3,-2.4 -2,-0.3 144,-0.2 -0.986 86.6 -19.3-122.3 116.1 -9.0 -9.1 -24.6 17 13 B D T 3 S- 0 0 99 142,-2.7 -1,-0.1 -2,-0.5 143,-0.1 0.859 130.3 -53.7 48.3 41.8 -10.8 -12.0 -26.1 18 14 B G T 3 S+ 0 0 61 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.330 112.7 120.9 80.7 -10.1 -8.3 -11.8 -28.9 19 15 B E E < S-A 16 0A 138 -3,-2.4 -3,-2.5 1,-0.1 -1,-0.2 -0.787 72.3-110.2 -90.4 124.7 -8.9 -8.1 -29.6 20 16 B P E +A 15 0A 105 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.306 38.3 175.0 -57.3 131.6 -5.8 -6.0 -29.2 21 17 B L E - 0 0 61 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.842 45.7 -84.9-100.6 -58.4 -6.1 -3.7 -26.1 22 18 B G E -A 14 0A 25 -8,-1.2 -8,-3.2 120,-0.0 2,-0.4 -0.976 41.8 -67.4 168.7-171.4 -2.7 -2.0 -25.9 23 19 B R E -A 13 0A 106 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.832 26.9-165.8-112.2 133.3 0.8 -2.0 -24.6 24 20 B V E -A 12 0A 1 -12,-2.6 -12,-2.7 -2,-0.4 2,-0.4 -0.986 12.7-163.2-110.5 130.9 2.1 -2.0 -21.1 25 21 B S E -AC 11 138A 2 113,-2.7 112,-3.0 -2,-0.4 113,-1.3 -0.899 3.8-161.0-114.7 149.8 5.8 -1.2 -20.6 26 22 B F E -AC 10 136A 0 -16,-2.8 -16,-2.0 -2,-0.4 2,-0.5 -0.969 17.6-140.3-130.3 140.5 7.9 -1.9 -17.5 27 23 B E E -AC 9 135A 72 108,-2.6 108,-2.0 -2,-0.4 2,-0.5 -0.859 24.5-149.2 -88.1 131.7 11.1 -0.7 -16.0 28 24 B L E - C 0 134A 0 -20,-2.6 2,-2.2 -2,-0.5 106,-0.3 -0.912 12.7-132.3-107.9 131.6 12.9 -3.7 -14.4 29 25 B F >> + 0 0 30 104,-2.8 4,-2.9 -2,-0.5 3,-1.6 -0.360 44.6 154.3 -85.3 64.0 15.1 -2.8 -11.4 30 26 B A T 34 + 0 0 31 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.783 69.2 65.6 -61.0 -27.8 18.2 -4.8 -12.4 31 27 B D T 34 S+ 0 0 102 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.738 116.8 24.2 -64.9 -28.0 20.2 -2.4 -10.4 32 28 B K T <4 S+ 0 0 89 -3,-1.6 -2,-0.2 101,-0.1 -1,-0.2 0.722 139.2 21.2-106.0 -35.7 18.6 -3.6 -7.2 33 29 B V X + 0 0 0 -4,-2.9 4,-2.9 100,-0.1 5,-0.3 -0.592 67.3 165.9-137.6 70.2 17.4 -7.2 -8.0 34 30 B P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.890 75.5 48.3 -63.6 -38.4 19.4 -8.4 -10.9 35 31 B K H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.924 116.1 43.3 -68.8 -40.2 18.5 -12.1 -10.7 36 32 B T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.919 114.9 49.7 -72.9 -38.6 14.8 -11.4 -10.4 37 33 B A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.906 109.2 53.0 -63.3 -43.3 14.8 -8.7 -13.2 38 34 B E H X S+ 0 0 60 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.867 104.8 54.3 -63.0 -42.8 16.7 -11.0 -15.5 39 35 B N H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.956 113.8 41.4 -54.0 -54.9 14.2 -13.8 -15.1 40 36 B F H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.886 113.7 53.0 -61.8 -41.5 11.4 -11.5 -16.1 41 37 B R H X S+ 0 0 27 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.945 112.6 43.4 -60.7 -50.1 13.3 -9.9 -18.9 42 38 B A H X>S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 5,-0.6 0.869 112.1 53.1 -70.2 -35.1 14.3 -13.2 -20.5 43 39 B L H <5S+ 0 0 1 -4,-2.2 9,-2.1 -5,-0.3 10,-0.5 0.830 109.7 50.8 -63.1 -32.6 10.8 -14.6 -20.1 44 40 B S H <5S+ 0 0 1 -4,-1.8 -2,-0.2 7,-0.2 -1,-0.2 0.843 113.7 42.2 -76.1 -33.4 9.5 -11.5 -21.8 45 41 B T H <5S- 0 0 40 -4,-1.9 -2,-0.2 121,-0.2 -1,-0.2 0.756 93.5-142.6 -80.7 -25.7 11.9 -11.8 -24.8 46 42 B G T ><5 + 0 0 32 -4,-1.8 3,-2.4 4,-0.2 -3,-0.1 0.602 52.4 143.3 72.8 11.9 11.4 -15.5 -25.2 47 43 B E T 3 < + 0 0 110 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.673 65.0 52.8 -65.9 -19.4 15.1 -15.6 -26.0 48 44 B K T 3 S- 0 0 109 2,-0.4 -1,-0.3 -6,-0.4 3,-0.1 0.375 126.7 -94.2 -90.7 -1.1 15.6 -18.9 -24.2 49 45 B G S < S+ 0 0 72 -3,-2.4 2,-0.3 1,-0.2 -2,-0.1 0.440 99.1 53.6 102.1 6.7 12.8 -20.7 -26.0 50 46 B F + 0 0 73 -8,-0.2 -2,-0.4 -4,-0.0 2,-0.3 -0.966 57.2 100.3-160.8 164.6 10.0 -20.1 -23.5 51 47 B G S S- 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.999 74.1 -27.7 148.0-152.7 8.3 -17.3 -21.6 52 48 B Y S > S+ 0 0 0 -9,-2.1 3,-2.5 -2,-0.3 110,-0.3 0.619 79.1 118.3 -81.7 -14.0 5.3 -15.1 -21.5 53 49 B K T 3 S+ 0 0 140 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.347 89.7 9.8 -62.6 126.0 4.2 -14.8 -25.1 54 50 B G T 3 S+ 0 0 57 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.303 100.7 126.0 88.2 -4.6 0.7 -16.2 -25.5 55 51 B S < - 0 0 4 -3,-2.5 107,-3.0 107,-0.2 -1,-0.3 -0.248 50.3-127.5 -81.5 170.5 0.1 -16.6 -21.7 56 52 B C B -D 161 0A 7 14,-0.3 2,-0.8 105,-0.2 13,-0.6 -0.760 13.9-118.4-116.2 162.0 -2.8 -15.2 -19.8 57 53 B F E +E 68 0A 1 103,-2.4 103,-0.4 -2,-0.3 11,-0.3 -0.914 37.7 178.5 -94.3 106.1 -3.6 -13.1 -16.7 58 54 B H E + 0 0 32 -2,-0.8 2,-0.4 9,-0.7 98,-0.4 0.633 60.5 41.6 -89.8 -20.6 -5.5 -15.7 -14.8 59 55 B R E +E 67 0A 102 8,-1.5 8,-3.2 96,-0.1 2,-0.4 -0.959 61.0 167.8-137.0 113.4 -6.3 -13.9 -11.6 60 56 B I E -E 66 0A 0 94,-2.2 91,-2.0 -2,-0.4 94,-0.3 -0.991 9.4-175.5-132.5 121.8 -7.5 -10.2 -11.6 61 57 B I E >> -E 65 0A 25 4,-2.6 3,-2.3 -2,-0.4 4,-1.4 -0.953 28.4-128.3-118.3 105.7 -9.0 -8.6 -8.5 62 58 B P T 34 S+ 0 0 60 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.258 94.5 22.0 -57.9 137.4 -10.1 -5.1 -9.2 63 59 B G T 34 S+ 0 0 51 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.333 128.9 48.5 88.3 -7.6 -8.7 -2.6 -6.7 64 60 B F T <4 S- 0 0 57 -3,-2.3 56,-2.7 1,-0.2 57,-0.7 0.620 105.0 -43.4-127.9 -72.3 -5.9 -4.9 -5.9 65 61 B M E < -EF 61 119A 5 -4,-1.4 -4,-2.6 54,-0.3 2,-0.4 -0.989 29.3-124.7-166.3 161.4 -3.8 -6.6 -8.6 66 62 B C E -EF 60 118A 0 52,-2.1 52,-2.6 -2,-0.3 2,-0.4 -0.998 31.2-161.3-114.3 122.1 -3.5 -8.4 -11.9 67 63 B Q E +EF 59 117A 33 -8,-3.2 -8,-1.5 -2,-0.4 -9,-0.7 -0.897 24.2 135.4-114.3 133.6 -1.6 -11.7 -11.8 68 64 B G E +EF 57 116A 0 48,-2.3 48,-2.0 -2,-0.4 -11,-0.2 -0.663 21.5 103.6-146.8-162.9 -0.1 -13.6 -14.7 69 65 B G + 0 0 0 -13,-0.6 2,-1.8 46,-0.3 11,-0.3 0.402 43.5 128.7 95.9 -0.9 3.0 -15.4 -15.7 70 66 B D > + 0 0 1 -14,-0.5 4,-1.2 1,-0.2 -14,-0.3 -0.612 22.1 158.9 -86.3 79.4 1.7 -19.1 -15.5 71 67 B F T 4 + 0 0 36 -2,-1.8 -1,-0.2 1,-0.2 -20,-0.1 0.489 66.9 50.5 -81.8 -5.3 2.7 -20.0 -19.0 72 68 B T T 4 S+ 0 0 66 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.801 127.6 12.6-100.7 -36.8 2.8 -23.7 -18.2 73 69 B R T 4 S- 0 0 146 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.473 82.8-141.6-122.2 -11.0 -0.6 -24.4 -16.6 74 70 B H S < S+ 0 0 104 -4,-1.2 -3,-0.1 1,-0.1 -5,-0.0 0.651 83.4 72.3 68.7 17.1 -2.6 -21.2 -17.3 75 71 B N S S- 0 0 86 -7,-0.0 -1,-0.1 -19,-0.0 -4,-0.1 0.353 113.6 -86.2-147.9 5.8 -4.3 -21.1 -14.0 76 72 B G S S+ 0 0 27 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.280 107.6 90.6 96.1 -3.2 -1.9 -20.2 -11.2 77 73 B T S S+ 0 0 94 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.487 86.8 39.0 -99.2 -3.1 -0.5 -23.7 -10.5 78 74 B G + 0 0 20 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.153 50.6 124.7-123.5-147.5 2.4 -23.6 -12.9 79 75 B G - 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