==== 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 03-AUG-04 1U79 . COMPND 2 MOLECULE: FKBP-TYPE PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR G.GOPALAN,K.SWAMINATHAN . 625 5 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 70.4 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 . 225 36.0 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 . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 60 9.6 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 . 41 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 5 0 0 1 4 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 . 12 6 7 5 5 5 0 3 2 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 . 3 0 0 0 0 5 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 5 A a 0 0 96 0, 0.0 2,-0.7 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 105.4 18.4 53.3 7.2 2 6 A E - 0 0 176 1,-0.0 2,-0.1 0, 0.0 10,-0.1 -0.718 360.0-133.6 -80.5 115.5 16.0 51.9 4.6 3 7 A F - 0 0 54 -2,-0.7 2,-0.6 10,-0.1 10,-0.2 -0.367 5.0-143.4 -72.2 148.4 15.4 48.3 5.5 4 8 A S E -A 12 0A 58 8,-2.5 8,-2.1 -2,-0.1 2,-0.6 -0.967 23.6-146.9-106.4 123.7 15.4 45.5 3.0 5 9 A V E -A 11 0A 100 -2,-0.6 6,-0.2 6,-0.2 5,-0.1 -0.878 8.7-150.9-102.7 119.5 12.7 43.1 4.2 6 10 A S > - 0 0 8 4,-2.1 3,-2.0 -2,-0.6 69,-0.2 -0.297 35.9 -92.7 -80.0 168.5 13.3 39.4 3.6 7 11 A P T 3 S+ 0 0 114 0, 0.0 68,-0.1 0, 0.0 -1,-0.1 0.769 125.4 52.6 -51.0 -31.4 10.5 36.8 3.0 8 12 A S T 3 S- 0 0 38 66,-0.4 3,-0.1 2,-0.2 85,-0.1 0.548 117.6-107.6 -85.9 -8.7 10.5 36.0 6.8 9 13 A G S < S+ 0 0 23 -3,-2.0 2,-0.3 1,-0.4 79,-0.1 0.101 78.8 132.0 102.0 -22.9 10.0 39.6 8.0 10 14 A L - 0 0 0 79,-0.1 -4,-2.1 -5,-0.1 -1,-0.4 -0.515 40.2-170.0 -63.8 122.3 13.6 39.8 9.2 11 15 A A E +AB 5 88A 0 77,-2.5 77,-2.7 -2,-0.3 2,-0.3 -0.854 10.6 176.2-120.1 155.6 14.8 43.1 7.8 12 16 A F E -AB 4 87A 21 -8,-2.1 -8,-2.5 -2,-0.3 2,-0.3 -0.957 19.4-163.5-150.2 166.8 18.3 44.6 7.6 13 17 A a E - B 0 86A 12 73,-1.4 73,-2.5 -2,-0.3 2,-1.1 -0.933 24.4-134.0-152.4 128.7 20.3 47.6 6.4 14 18 A D E - B 0 85A 57 -2,-0.3 3,-0.3 71,-0.2 71,-0.2 -0.757 21.8-179.2 -89.8 96.5 24.1 47.5 6.2 15 19 A K E S+ 0 0 87 -2,-1.1 2,-0.4 69,-0.8 -1,-0.2 0.865 81.9 13.2 -61.7 -38.0 25.1 50.9 7.7 16 20 A V E S- B 0 84A 12 68,-2.2 68,-2.9 -3,-0.2 -1,-0.3 -0.943 82.4-135.5-142.7 118.5 28.7 49.9 7.0 17 21 A V - 0 0 82 -2,-0.4 62,-0.1 -3,-0.3 64,-0.0 -0.569 32.8-110.2 -74.1 133.5 29.7 47.0 4.8 18 22 A G - 0 0 11 -2,-0.3 64,-0.3 1,-0.1 63,-0.2 -0.049 12.2-145.7 -58.7 164.8 32.5 44.9 6.3 19 23 A Y S S+ 0 0 71 62,-1.7 63,-0.2 61,-0.1 -1,-0.1 0.515 76.4 57.2-108.5 -11.5 36.0 44.8 4.8 20 24 A G S S- 0 0 21 61,-2.3 103,-0.0 1,-0.2 -2,-0.0 -0.143 97.3 -50.0-106.2-160.9 36.7 41.2 5.6 21 25 A P - 0 0 96 0, 0.0 60,-2.7 0, 0.0 -1,-0.2 -0.275 62.1 -95.1 -71.5 159.3 35.3 37.7 4.9 22 26 A E B -G 80 0B 110 58,-0.2 58,-0.2 1,-0.1 49,-0.1 -0.284 50.5 -87.4 -70.5 159.6 31.7 36.8 5.4 23 27 A A - 0 0 4 56,-1.9 2,-0.4 47,-0.4 -1,-0.1 -0.381 44.9-138.9 -65.5 146.1 30.6 35.1 8.7 24 28 A V > - 0 0 30 -3,-0.1 3,-2.0 539,-0.1 33,-0.3 -0.941 19.1-104.0-118.3 134.6 30.9 31.3 8.7 25 29 A K T 3 S+ 0 0 109 -2,-0.4 33,-0.2 1,-0.3 31,-0.0 -0.238 104.4 12.1 -51.2 125.1 28.5 28.8 10.1 26 30 A G T 3 S+ 0 0 0 31,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.408 92.2 134.2 87.4 -2.6 29.8 27.3 13.4 27 31 A Q < - 0 0 20 -3,-2.0 30,-2.1 30,-0.2 2,-0.6 -0.552 60.2-119.5 -84.1 145.5 32.6 29.8 14.0 28 32 A L E +C 56 0A 62 535,-0.6 97,-2.9 28,-0.2 28,-0.3 -0.749 46.9 175.7 -82.0 120.0 33.2 31.5 17.4 29 33 A I E -CD 55 124A 0 26,-3.1 26,-2.2 -2,-0.6 2,-0.4 -0.789 28.0-129.9-126.1 170.1 32.8 35.2 16.8 30 34 A K E +CD 54 123A 38 93,-2.9 92,-1.5 -2,-0.3 93,-1.2 -0.955 26.2 173.3-120.0 137.7 32.7 38.5 18.6 31 35 A A E -CD 53 121A 1 22,-1.8 22,-3.1 -2,-0.4 2,-0.3 -0.991 22.1-151.7-148.5 135.9 30.1 41.2 18.3 32 36 A H E + D 0 120A 0 88,-2.1 88,-2.8 -2,-0.3 2,-0.3 -0.729 33.7 169.1 -95.7 153.9 29.3 44.5 20.0 33 37 A Y E - D 0 119A 9 -2,-0.3 13,-2.2 86,-0.2 14,-0.6 -0.996 35.7-150.9-164.5 160.5 25.6 45.4 20.0 34 38 A V E -ED 45 118A 17 84,-1.4 84,-2.0 -2,-0.3 2,-0.5 -0.988 19.5-161.6-136.4 121.5 22.8 47.6 21.2 35 39 A G E +ED 44 117A 0 9,-3.5 8,-1.9 -2,-0.4 9,-1.3 -0.930 14.7 173.9-110.8 129.2 19.3 46.2 21.3 36 40 A K E -ED 42 116A 91 80,-3.0 80,-2.8 -2,-0.5 6,-0.2 -0.932 28.3-124.6-132.3 156.3 16.3 48.5 21.5 37 41 A L > - 0 0 19 4,-2.5 3,-1.9 -2,-0.3 78,-0.1 -0.399 46.8 -92.4 -87.5 172.8 12.5 48.1 21.4 38 42 A E T 3 S+ 0 0 100 76,-0.5 77,-0.1 1,-0.3 -1,-0.1 0.453 124.1 61.1 -69.4 1.1 10.5 50.1 18.8 39 43 A N T 3 S- 0 0 126 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.366 122.5-101.5-105.9 3.2 10.0 53.0 21.2 40 44 A G S < S+ 0 0 47 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.348 73.6 145.5 95.9 -5.6 13.8 53.6 21.5 41 45 A K - 0 0 93 1,-0.1 -4,-2.5 -5,-0.1 2,-0.7 -0.508 46.5-136.0 -70.3 124.3 14.2 51.9 24.9 42 46 A V E +E 36 0A 69 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.732 25.5 176.8 -82.9 117.4 17.5 50.1 25.1 43 47 A F E - 0 0 18 -8,-1.9 2,-0.3 -2,-0.7 -7,-0.2 0.547 65.1 -9.4 -97.0 -9.7 16.9 46.6 26.7 44 48 A D E +E 35 0A 32 -9,-1.3 -9,-3.5 5,-0.0 -1,-0.3 -0.895 57.0 177.6 178.9 150.6 20.5 45.4 26.4 45 49 A S E > -E 34 0A 10 -2,-0.3 4,-1.1 -11,-0.2 -11,-0.2 -0.968 36.9-127.9-162.2 148.9 23.9 46.2 25.0 46 50 A S H >>S+ 0 0 0 -13,-2.2 5,-1.8 -2,-0.3 4,-0.9 0.869 112.2 60.6 -64.5 -36.8 27.5 44.7 25.0 47 51 A Y H 45S+ 0 0 21 -14,-0.6 3,-0.5 1,-0.3 -1,-0.2 0.874 101.9 50.6 -58.2 -41.1 28.6 48.2 26.1 48 52 A N H 45S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.811 111.7 49.1 -68.0 -28.3 26.5 48.0 29.2 49 53 A R H <5S- 0 0 149 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.592 110.4-127.5 -85.0 -12.6 28.1 44.6 29.9 50 54 A G T <5S+ 0 0 39 -4,-0.9 -3,-0.2 -3,-0.5 -2,-0.1 0.605 79.3 65.1 77.2 11.3 31.5 46.1 29.3 51 55 A K S -C 28 0A 31 -2,-0.3 3,-0.5 -28,-0.3 5,-0.4 -0.770 39.9-133.3 -92.3 140.6 29.2 30.7 17.9 57 61 A I T 3 S+ 0 0 0 -30,-2.1 -31,-2.9 -2,-0.4 -30,-0.2 -0.640 76.2 18.6 -94.1 144.9 27.1 31.7 15.0 58 62 A G T 3 S+ 0 0 8 -2,-0.3 -1,-0.2 -33,-0.2 -33,-0.1 0.580 96.8 90.1 79.6 13.7 24.5 29.6 13.3 59 63 A V S < S- 0 0 46 -3,-0.5 -2,-0.1 -34,-0.0 -1,-0.0 0.153 104.2 -94.8-127.3 20.5 24.0 26.9 15.9 60 64 A G S S+ 0 0 59 3,-0.1 4,-0.1 2,-0.1 -3,-0.1 0.802 83.9 128.6 73.8 32.0 21.1 28.3 18.0 61 65 A E S S+ 0 0 106 -5,-0.4 2,-0.3 2,-0.1 -4,-0.1 0.600 79.0 25.5 -90.4 -12.5 23.2 29.9 20.7 62 66 A V S S- 0 0 33 1,-0.1 5,-0.1 -6,-0.1 -2,-0.1 -0.845 110.6 -58.6-139.3 172.8 21.3 33.2 20.1 63 67 A I >> - 0 0 21 -2,-0.3 3,-1.8 1,-0.1 4,-1.7 -0.196 52.4-112.4 -56.6 149.0 17.8 34.1 18.8 64 68 A K H 3> S+ 0 0 129 1,-0.3 4,-3.1 30,-0.3 5,-0.4 0.832 115.9 63.4 -51.4 -37.0 17.1 32.9 15.3 65 69 A G H 3> S+ 0 0 0 28,-2.4 4,-1.7 1,-0.2 -1,-0.3 0.808 104.4 46.7 -60.3 -29.9 17.1 36.5 14.1 66 70 A W H <> S+ 0 0 8 -3,-1.8 4,-1.9 27,-0.3 5,-0.5 0.909 113.2 47.5 -78.9 -43.5 20.7 36.9 15.0 67 71 A D H X S+ 0 0 18 -4,-1.7 4,-2.5 2,-0.2 5,-0.4 0.972 123.0 34.0 -60.1 -52.9 21.7 33.6 13.4 68 72 A Q H X S+ 0 0 34 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.882 118.2 54.7 -69.5 -38.5 19.8 34.4 10.2 69 73 A G H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.715 120.7 28.7 -69.5 -23.0 20.6 38.1 10.5 70 74 A I H < S+ 0 0 1 -4,-1.9 9,-2.7 -3,-0.3 -47,-0.4 0.771 129.1 37.1-105.0 -39.6 24.3 37.7 10.7 71 75 A L H < S- 0 0 30 -4,-2.5 -3,-0.2 -5,-0.5 -2,-0.2 0.708 112.7-118.6 -86.4 -22.0 24.9 34.5 8.8 72 76 A G < - 0 0 20 -4,-1.6 2,-0.2 -5,-0.4 -1,-0.2 -0.173 31.3-164.7 102.4 161.6 22.3 35.2 6.2 73 77 A S B > -H 76 0C 52 3,-1.9 3,-2.6 -4,-0.1 2,-0.2 -0.855 54.5 -35.4-163.3-173.8 19.1 33.6 5.0 74 78 A D T 3 S+ 0 0 132 1,-0.3 -66,-0.4 -2,-0.2 -2,-0.1 -0.433 137.2 6.2 -59.7 125.2 16.7 33.9 2.0 75 79 A G T 3 S+ 0 0 49 -2,-0.2 -1,-0.3 -69,-0.2 -3,-0.0 0.502 116.7 95.5 79.2 1.1 16.8 37.5 1.1 76 80 A I B < -H 73 0C 7 -3,-2.6 -3,-1.9 -65,-0.1 -1,-0.1 -0.914 60.9-154.9-130.6 109.0 19.5 38.2 3.7 77 81 A P - 0 0 61 0, 0.0 -5,-0.2 0, 0.0 -3,-0.0 -0.428 34.3 -94.6 -75.7 158.0 23.2 38.3 2.7 78 82 A P - 0 0 35 0, 0.0 -7,-0.2 0, 0.0 2,-0.1 -0.270 35.7-110.5 -69.4 154.4 25.8 37.5 5.4 79 83 A M - 0 0 2 -9,-2.7 -56,-1.9 -62,-0.1 2,-0.3 -0.498 33.1-134.5 -78.0 157.0 27.5 40.2 7.4 80 84 A L B > -G 22 0B 52 -58,-0.2 3,-2.1 -2,-0.1 -58,-0.2 -0.864 34.0 -80.8-113.9 150.9 31.2 40.6 6.6 81 85 A T T 3 S+ 0 0 20 -60,-2.7 -61,-2.3 -2,-0.3 -62,-1.7 -0.224 119.1 19.6 -50.5 129.2 34.0 41.0 9.2 82 86 A G T 3 S+ 0 0 17 39,-2.8 -1,-0.3 1,-0.3 40,-0.2 0.511 96.8 137.0 86.0 6.7 34.1 44.6 10.4 83 87 A G < - 0 0 3 -3,-2.1 38,-1.8 38,-0.5 2,-0.5 -0.415 46.0-146.5 -86.4 161.4 30.6 45.4 9.3 84 88 A K E +BF 16 120A 28 -68,-2.9 -68,-2.2 36,-0.2 -69,-0.8 -0.986 24.3 175.9-127.9 120.4 27.9 47.3 11.1 85 89 A R E -BF 14 119A 0 34,-2.7 34,-3.8 -2,-0.5 2,-0.5 -0.956 24.1-145.1-129.3 143.2 24.3 46.2 10.5 86 90 A T E -BF 13 118A 10 -73,-2.5 -73,-1.4 -2,-0.4 2,-0.4 -0.890 21.8-162.7-104.0 136.2 20.9 47.2 11.8 87 91 A L E -BF 12 117A 0 30,-2.8 30,-2.3 -2,-0.5 2,-0.6 -0.973 14.8-160.7-124.0 137.7 18.4 44.4 12.2 88 92 A R E -BF 11 116A 89 -77,-2.7 -77,-2.5 -2,-0.4 28,-0.2 -0.974 20.2-166.8-114.0 115.4 14.7 44.5 12.6 89 93 A I E - 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