==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-MAY-12 4EYV . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PIRIFORMOSPORA INDICA; . AUTHOR H.BHATT,R.K.PAL,N.TUTEJA,N.S.BHAVESH . 486 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 63.6 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 . 146 30.0 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 . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 2 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 . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 3 0 0 0 3 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 . 9 0 8 7 0 0 6 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 0 0 0 0 0 0 3 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 A Q 0 0 152 0, 0.0 21,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 142.5 -33.1 -34.1 6.6 2 4 A P - 0 0 62 0, 0.0 20,-0.1 0, 0.0 2,-0.0 -0.217 360.0 -96.8 -81.6 161.1 -29.4 -34.1 6.9 3 5 A N - 0 0 53 159,-0.6 159,-2.1 18,-0.1 2,-0.4 -0.272 38.3-125.6 -60.9 159.9 -26.8 -31.3 6.2 4 6 A V E -AB 20 161A 0 16,-2.3 16,-3.0 157,-0.2 2,-0.3 -0.854 21.3-161.6-114.0 141.8 -25.0 -31.3 2.9 5 7 A Y E -AB 19 160A 46 155,-2.4 155,-1.4 -2,-0.4 2,-0.4 -0.922 8.2-165.6-118.8 151.8 -21.2 -31.3 2.4 6 8 A F E -AB 18 159A 0 12,-2.5 12,-3.0 -2,-0.3 2,-0.4 -0.997 13.3-148.4-122.6 128.9 -18.9 -30.5 -0.5 7 9 A D E -AB 17 158A 30 151,-3.1 150,-2.3 -2,-0.4 151,-1.1 -0.854 25.7-153.6 -89.6 137.1 -15.2 -31.5 -0.5 8 10 A I E -AB 16 156A 0 8,-2.6 7,-3.3 -2,-0.4 8,-0.9 -0.902 18.7-170.2-117.9 134.8 -13.3 -28.8 -2.4 9 11 A S E -AB 14 155A 5 146,-2.2 146,-2.8 -2,-0.4 2,-0.4 -0.974 7.4-160.0-115.7 150.2 -10.0 -28.8 -4.4 10 12 A I E > S-AB 13 154A 20 3,-2.3 3,-2.0 -2,-0.4 144,-0.2 -0.988 84.0 -7.5-123.3 123.9 -8.3 -25.7 -5.7 11 13 A D T 3 S- 0 0 85 142,-2.7 -1,-0.2 -2,-0.4 143,-0.1 0.905 133.1 -58.0 53.4 39.0 -5.8 -26.2 -8.6 12 14 A N T 3 S+ 0 0 117 141,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.633 114.3 119.1 64.5 17.7 -6.3 -29.9 -7.9 13 15 A Q E < S-A 10 0A 123 -3,-2.0 -3,-2.3 2,-0.0 -1,-0.2 -0.950 73.7-105.6-112.9 130.2 -5.2 -29.6 -4.3 14 16 A N E +A 9 0A 134 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.132 36.2 177.3 -48.0 128.8 -7.6 -30.5 -1.4 15 17 A A E - 0 0 15 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.398 45.0-103.4-117.4 -4.9 -8.8 -27.4 0.3 16 18 A G E -A 8 0A 24 -8,-0.9 -8,-2.6 2,-0.0 -1,-0.4 -0.706 44.4 -54.9 121.2-157.7 -11.2 -28.9 2.9 17 19 A R E -A 7 0A 94 -2,-0.3 2,-0.4 -10,-0.2 119,-0.3 -0.926 26.7-155.9-132.9 137.8 -14.9 -29.3 3.3 18 20 A I E -A 6 0A 0 -12,-3.0 -12,-2.5 -2,-0.4 2,-0.4 -0.967 14.5-165.3-110.0 134.6 -17.9 -26.9 3.3 19 21 A V E -AC 5 132A 4 113,-2.6 112,-3.1 -2,-0.4 113,-1.5 -0.972 5.6-162.3-119.8 135.3 -21.1 -28.2 5.2 20 22 A F E -AC 4 130A 0 -16,-3.0 -16,-2.3 -2,-0.4 2,-0.5 -0.934 15.0-148.2-120.1 141.5 -24.5 -26.5 4.7 21 23 A K E - C 0 129A 90 108,-2.7 108,-2.3 -2,-0.4 2,-0.3 -0.935 25.4-147.5-101.3 129.5 -27.6 -26.6 6.8 22 24 A L E - C 0 128A 9 -2,-0.5 2,-1.4 106,-0.2 106,-0.3 -0.702 14.9-125.7-100.7 149.7 -30.7 -26.2 4.4 23 25 A Y >> + 0 0 34 104,-2.7 4,-2.6 -2,-0.3 3,-1.9 -0.384 44.4 157.7 -92.3 65.3 -33.9 -24.5 5.3 24 26 A D T 34 + 0 0 21 -2,-1.4 -1,-0.2 1,-0.3 8,-0.1 0.747 68.9 61.5 -57.7 -29.0 -36.3 -27.4 4.5 25 27 A D T 34 S+ 0 0 140 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.719 117.3 28.8 -72.2 -21.6 -39.0 -26.0 6.9 26 28 A V T <4 S+ 0 0 24 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.796 137.3 18.8-108.9 -39.7 -39.2 -22.9 4.8 27 29 A V X + 0 0 0 -4,-2.6 4,-2.9 100,-0.1 5,-0.3 -0.629 69.4 166.6-133.0 70.9 -38.3 -23.9 1.2 28 30 A P H > S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.825 74.6 45.6 -64.8 -37.4 -38.7 -27.6 1.1 29 31 A L H > S+ 0 0 12 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.863 114.2 49.5 -73.6 -31.9 -38.5 -28.1 -2.7 30 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.933 114.8 45.4 -70.5 -46.2 -35.5 -25.8 -3.1 31 33 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.938 112.1 52.0 -59.3 -45.6 -33.7 -27.6 -0.2 32 34 A K H X S+ 0 0 72 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.915 108.1 50.7 -59.0 -40.8 -34.7 -31.0 -1.6 33 35 A N H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.953 112.8 45.0 -64.5 -47.1 -33.3 -30.2 -5.1 34 36 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.947 114.3 49.6 -69.2 -40.9 -29.9 -29.1 -3.8 35 37 A R H X S+ 0 0 22 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.946 112.5 45.2 -62.6 -44.6 -29.6 -32.0 -1.4 36 38 A E H X S+ 0 0 67 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.914 111.6 53.4 -66.0 -37.5 -30.4 -34.7 -4.1 37 39 A L H < S+ 0 0 1 -4,-2.7 9,-1.5 -5,-0.3 10,-0.6 0.875 110.0 48.8 -65.3 -30.0 -28.1 -33.0 -6.6 38 40 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.888 113.0 46.6 -73.5 -38.6 -25.3 -33.3 -3.9 39 41 A K H < S+ 0 0 121 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.812 93.3 101.1 -71.2 -30.0 -26.1 -37.0 -3.3 40 42 A N S < S- 0 0 33 -4,-2.2 7,-0.3 -5,-0.2 119,-0.1 -0.014 81.7 -99.1 -55.7 156.6 -26.2 -37.9 -6.9 41 43 A P > - 0 0 74 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.324 57.3 -70.6 -72.2 160.6 -23.3 -39.6 -8.7 42 44 A A T 3 S+ 0 0 66 1,-0.3 6,-0.2 2,-0.2 4,-0.1 -0.191 124.3 27.8 -49.6 136.5 -20.8 -37.6 -10.8 43 45 A G T 3 S+ 0 0 54 4,-0.8 -1,-0.3 2,-0.5 5,-0.1 0.152 115.4 65.0 95.4 -22.3 -22.4 -36.3 -14.0 44 46 A Q S < S- 0 0 105 -3,-2.2 2,-0.3 3,-0.2 -2,-0.2 0.294 116.1 -13.9-114.1 6.4 -25.9 -36.3 -12.5 45 47 A G S S- 0 0 0 2,-0.3 -2,-0.5 -4,-0.2 -7,-0.2 -0.878 102.8 -38.2-174.0-152.7 -25.3 -33.6 -9.9 46 48 A Y S > S+ 0 0 0 -9,-1.5 3,-2.7 -2,-0.3 110,-0.3 0.744 92.1 104.4 -69.3 -24.2 -22.6 -31.5 -8.0 47 49 A T T 3 S+ 0 0 26 -10,-0.6 -4,-0.8 -7,-0.3 -2,-0.3 -0.410 95.0 10.7 -63.9 122.4 -20.0 -34.2 -7.6 48 50 A G T 3 S+ 0 0 47 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.341 104.2 116.7 92.9 -3.7 -17.2 -33.5 -10.1 49 51 A S < - 0 0 0 -3,-2.7 107,-3.1 107,-0.2 -1,-0.3 -0.287 55.3-130.3 -91.6-178.8 -18.6 -30.0 -11.1 50 52 A T B -D 155 0A 25 14,-0.3 2,-1.0 105,-0.2 13,-0.6 -0.789 20.0-111.0-125.9 165.8 -16.7 -26.7 -10.5 51 53 A F + 0 0 2 103,-2.1 103,-0.4 -2,-0.3 11,-0.3 -0.923 44.5 179.4 -90.7 101.9 -17.4 -23.2 -9.0 52 54 A H + 0 0 27 -2,-1.0 2,-0.4 9,-0.5 10,-0.2 0.561 59.7 41.0 -88.7 -11.3 -17.2 -21.6 -12.5 53 55 A R E +E 61 0A 28 8,-1.6 8,-2.8 96,-0.1 2,-0.4 -0.939 63.7 170.9-140.5 119.5 -17.8 -18.0 -11.5 54 56 A I E -E 60 0A 0 94,-2.9 91,-1.6 -2,-0.4 94,-0.3 -0.978 6.7-179.6-138.6 122.8 -16.3 -16.4 -8.5 55 57 A I E >> -E 59 0A 0 4,-2.7 4,-1.5 -2,-0.4 3,-1.2 -0.940 28.1-126.8-128.5 107.9 -16.4 -12.7 -7.7 56 58 A P T 34 S+ 0 0 15 0, 0.0 3,-0.1 0, 0.0 86,-0.1 -0.178 93.6 18.2 -50.3 145.3 -14.6 -11.5 -4.4 57 59 A Q T 34 S+ 0 0 106 1,-0.2 56,-0.0 57,-0.1 58,-0.0 0.732 129.2 52.8 59.4 24.1 -16.7 -9.5 -2.1 58 60 A F T <4 S- 0 0 8 -3,-1.2 56,-2.5 54,-0.1 57,-0.8 0.217 105.3 -56.3-144.1 -76.4 -19.9 -10.7 -3.8 59 61 A M E < -EF 55 113A 0 -4,-1.5 -4,-2.7 54,-0.3 2,-0.4 -0.985 28.0-117.6-168.4 165.7 -20.3 -14.5 -4.1 60 62 A L E -EF 54 112A 0 52,-2.0 52,-2.2 -2,-0.3 2,-0.4 -0.965 34.3-160.5-110.8 133.6 -19.1 -17.9 -5.4 61 63 A Q E +EF 53 111A 11 -8,-2.8 -8,-1.6 -2,-0.4 -9,-0.5 -0.933 23.2 138.3-125.5 139.9 -21.3 -19.6 -8.0 62 64 A G E + F 0 110A 0 48,-2.5 48,-1.6 -2,-0.4 -11,-0.2 -0.703 22.7 104.1-149.0-162.2 -21.5 -23.2 -9.0 63 65 A G + 0 0 0 -13,-0.6 2,-1.7 46,-0.3 11,-0.3 0.354 44.6 126.8 94.0 -1.8 -24.0 -25.9 -9.9 64 66 A D > + 0 0 1 -14,-0.4 4,-1.3 1,-0.2 -14,-0.3 -0.591 24.5 159.0 -86.3 85.9 -23.6 -26.0 -13.8 65 67 A F T 4 + 0 0 10 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.502 65.8 48.6 -92.0 -1.6 -22.8 -29.7 -13.9 66 68 A T T 4 S+ 0 0 59 -3,-0.1 -1,-0.2 -22,-0.1 -2,-0.1 0.823 130.1 12.2-101.7 -43.0 -23.7 -30.1 -17.6 67 69 A N T 4 S- 0 0 82 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.558 81.5-144.1-109.1 -14.5 -21.8 -27.2 -19.3 68 70 A H S < S+ 0 0 91 -4,-1.3 -3,-0.1 1,-0.1 -4,-0.0 0.716 81.3 78.6 59.6 27.1 -19.5 -25.9 -16.5 69 71 A N S S- 0 0 95 -16,-0.0 -1,-0.1 -7,-0.0 -4,-0.1 0.389 111.7 -89.8-147.7 7.9 -19.8 -22.4 -17.7 70 72 A G S S+ 0 0 29 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.273 108.2 88.2 99.7 -10.6 -23.1 -20.9 -16.4 71 73 A T S S+ 0 0 106 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.600 86.8 47.0 -95.4 -12.4 -25.3 -21.9 -19.4 72 74 A G + 0 0 15 -8,-0.0 36,-0.3 2,-0.0 37,-0.2 -0.133 53.9 99.5-111.0-154.3 -26.3 -25.4 -18.2 73 75 A G - 0 0 18 -9,-0.1 2,-0.3 35,-0.1 -9,-0.1 -0.003 40.6-145.5 89.1 167.7 -27.5 -27.4 -15.2 74 76 A R - 0 0 93 -11,-0.3 5,-0.2 33,-0.1 33,-0.2 -0.962 15.4-116.6-161.1 146.0 -31.0 -28.7 -14.4 75 77 A S B > -I 78 0B 1 3,-1.9 3,-1.2 -2,-0.3 33,-0.2 -0.366 35.9-106.3 -79.4 169.6 -33.1 -29.2 -11.2 76 78 A I T 3 S+ 0 0 4 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.656 123.4 57.2 -66.1 -15.1 -34.3 -32.7 -10.1 77 79 A Y T 3 S- 0 0 0 1,-0.4 331,-2.8 30,-0.1 2,-0.3 0.573 125.7 -84.8 -90.5 -11.2 -37.8 -31.5 -11.3 78 80 A G B < S-I 75 0B 10 -3,-1.2 -3,-1.9 329,-0.2 -1,-0.4 -0.850 72.6 -36.6 131.6-167.1 -36.6 -30.6 -14.9 79 81 A N S S+ 0 0 124 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.796 123.5 16.7 -62.0 -37.6 -35.0 -27.6 -16.4 80 82 A K - 0 0 129 326,-0.2 2,-0.3 -3,-0.1 326,-0.2 -0.988 60.6-176.6-140.0 145.1 -36.8 -24.9 -14.3 81 83 A F B -J 106 0C 2 25,-1.3 25,-1.9 -2,-0.3 323,-0.2 -0.907 34.6 -88.6-138.5 166.2 -38.8 -24.9 -11.1 82 84 A K - 0 0 62 321,-2.5 2,-0.9 -2,-0.3 3,-0.1 -0.197 34.3-104.3 -80.0 165.4 -40.7 -22.1 -9.3 83 85 A D - 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