==== 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/ISOMERASE SUBSTRATE 02-MAY-05 1ZKF . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.Z.EISENMESSER,V.THAI,E.POZHARSKI,D.KERN . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 66.2 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 . 97 28.8 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 11.9 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+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 2 0 0 0 2 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 . 6 0 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 1 A M 0 0 176 0, 0.0 2,-0.5 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0-151.3 -17.9 60.7 88.5 2 2 A V - 0 0 103 24,-0.0 24,-0.0 25,-0.0 163,-0.0 -0.971 360.0-149.2-127.9 120.1 -14.5 62.3 88.9 3 3 A N - 0 0 24 -2,-0.5 22,-0.1 1,-0.1 162,-0.0 -0.692 26.2-113.2 -88.1 136.3 -11.9 62.7 86.1 4 4 A P - 0 0 20 0, 0.0 20,-2.6 0, 0.0 2,-0.4 -0.243 23.4-152.5 -63.9 150.7 -8.2 62.6 87.1 5 5 A T E -A 23 0A 1 18,-0.2 159,-3.4 32,-0.0 160,-1.0 -0.993 15.6-179.2-129.3 123.3 -6.1 65.7 86.6 6 6 A V E -AB 22 163A 0 16,-1.5 16,-3.0 -2,-0.4 2,-0.3 -0.798 10.1-148.7-118.6 162.8 -2.3 65.4 86.0 7 7 A F E -AB 21 162A 22 155,-2.3 155,-1.3 -2,-0.3 2,-0.4 -0.935 6.2-155.8-133.3 157.4 0.4 68.0 85.5 8 8 A F E -AB 20 161A 1 12,-2.7 12,-2.4 -2,-0.3 2,-0.7 -1.000 8.8-152.7-129.6 127.6 3.6 68.4 83.6 9 9 A D E -AB 19 160A 37 151,-3.1 150,-1.6 -2,-0.4 151,-1.1 -0.922 25.6-151.2-100.7 114.4 6.3 70.9 84.6 10 10 A I E -AB 18 158A 4 8,-2.8 7,-3.4 -2,-0.7 8,-1.1 -0.620 15.5-174.1 -91.1 146.9 8.2 71.7 81.4 11 11 A A E -AB 16 157A 5 146,-2.1 146,-2.4 5,-0.3 2,-0.5 -0.985 15.7-149.6-138.3 147.0 11.8 72.7 81.1 12 12 A V E > S-AB 15 156A 11 3,-2.8 3,-2.2 -2,-0.3 144,-0.2 -0.970 86.0 -23.5-119.8 113.1 13.9 73.9 78.1 13 13 A D T 3 S- 0 0 92 142,-2.7 -1,-0.2 -2,-0.5 143,-0.1 0.892 129.7 -50.2 51.8 40.7 17.5 72.9 78.3 14 14 A G T 3 S+ 0 0 64 141,-0.5 -1,-0.3 1,-0.2 142,-0.0 0.103 112.8 119.7 88.8 -24.7 17.1 72.7 82.0 15 15 A E E < S-A 12 0A 149 -3,-2.2 -3,-2.8 1,-0.1 -1,-0.2 -0.659 70.8-116.6 -80.8 121.1 15.4 76.1 82.5 16 16 A P E -A 11 0A 121 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.320 33.0-179.6 -57.7 130.3 11.9 75.7 83.9 17 17 A L E - 0 0 56 -7,-3.4 2,-0.2 1,-0.4 -6,-0.2 0.590 44.7 -85.4-109.4 -16.9 9.3 76.9 81.5 18 18 A G E -A 10 0A 29 -8,-1.1 -8,-2.8 2,-0.0 2,-0.4 -0.796 44.5 -65.7 138.1 179.2 6.0 76.4 83.3 19 19 A R E -A 9 0A 118 -2,-0.2 2,-0.4 -10,-0.2 -10,-0.2 -0.857 26.9-169.5-115.3 145.9 3.2 74.0 84.1 20 20 A V E -A 8 0A 2 -12,-2.4 -12,-2.7 -2,-0.4 2,-0.4 -0.998 9.7-166.3-130.1 126.4 0.6 72.3 82.0 21 21 A S E -AC 7 134A 4 113,-2.1 112,-3.8 -2,-0.4 113,-1.2 -0.912 4.5-158.4-116.8 144.6 -2.3 70.4 83.6 22 22 A F E -AC 6 132A 0 -16,-3.0 -16,-1.5 -2,-0.4 2,-0.6 -0.881 15.5-140.3-122.2 152.5 -4.7 67.9 81.8 23 23 A E E -AC 5 131A 50 108,-2.4 108,-1.7 -2,-0.3 2,-0.5 -0.953 23.4-150.1-107.6 122.8 -8.1 66.6 82.5 24 24 A L E - C 0 130A 0 -20,-2.6 2,-2.0 -2,-0.6 106,-0.3 -0.843 11.7-134.6 -96.8 129.1 -8.2 62.9 81.6 25 25 A F >> + 0 0 31 104,-3.1 4,-3.1 -2,-0.5 3,-1.5 -0.445 41.6 157.0 -82.8 68.1 -11.6 61.6 80.4 26 26 A A T 34 + 0 0 18 -2,-2.0 -1,-0.2 1,-0.3 8,-0.1 0.741 67.6 67.8 -63.1 -23.6 -11.6 58.4 82.5 27 27 A D T 34 S+ 0 0 63 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.738 118.0 19.3 -69.7 -23.1 -15.4 58.4 82.2 28 28 A K T <4 S+ 0 0 96 -3,-1.5 -2,-0.2 101,-0.1 -1,-0.1 0.695 138.9 28.3-116.8 -33.4 -15.2 57.7 78.4 29 29 A V S X S+ 0 0 0 -4,-3.1 4,-2.8 100,-0.2 5,-0.2 -0.513 71.3 161.6-128.6 63.8 -11.7 56.3 77.8 30 30 A P H > S+ 0 0 63 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.889 72.6 43.4 -50.3 -55.2 -11.0 54.6 81.2 31 31 A K H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.942 117.1 46.4 -61.8 -47.7 -8.1 52.3 80.2 32 32 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 115.9 46.7 -60.7 -42.9 -6.4 54.9 78.1 33 33 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.906 110.4 52.0 -66.0 -42.9 -6.8 57.5 80.8 34 34 A E H X S+ 0 0 68 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.889 107.6 53.5 -61.0 -40.1 -5.6 55.2 83.5 35 35 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.954 111.5 43.8 -59.5 -52.0 -2.5 54.4 81.5 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.906 114.1 51.2 -60.5 -44.1 -1.5 58.1 81.1 37 37 A R H X S+ 0 0 26 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.943 110.9 47.0 -59.1 -50.8 -2.3 58.8 84.8 38 38 A A H X>S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.7 0.869 111.0 51.8 -60.8 -38.9 -0.1 55.9 86.0 39 39 A L H <5S+ 0 0 1 -4,-2.2 9,-2.4 -5,-0.2 10,-0.4 0.779 108.4 53.5 -69.9 -24.6 2.7 56.9 83.8 40 40 A S H <5S+ 0 0 1 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.798 113.0 40.7 -79.3 -30.9 2.4 60.5 85.1 41 41 A T H <5S- 0 0 50 -4,-1.6 -2,-0.2 121,-0.2 -1,-0.2 0.795 97.6-138.5 -85.1 -31.5 2.7 59.4 88.8 42 42 A G T ><5 + 0 0 29 -4,-2.2 3,-2.1 -5,-0.2 -3,-0.2 0.625 53.7 144.2 81.3 15.4 5.4 56.8 88.1 43 43 A E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.666 66.2 55.4 -61.5 -18.1 3.7 54.4 90.4 44 44 A K T 3 S- 0 0 97 2,-0.5 2,-0.6 -6,-0.5 -1,-0.3 0.400 120.2-105.8 -95.3 2.8 4.6 51.4 88.3 45 45 A G S < S+ 0 0 68 -3,-2.1 2,-0.1 1,-0.3 -2,-0.0 -0.521 98.9 66.2 108.1 -64.9 8.3 52.3 88.3 46 46 A F + 0 0 61 -2,-0.6 -2,-0.5 2,-0.0 2,-0.3 -0.420 64.9 126.0 -85.9 166.2 8.7 53.6 84.8 47 47 A G - 0 0 14 2,-0.2 -7,-0.2 -2,-0.1 -8,-0.1 -0.993 64.6 -61.5 172.7-167.1 7.0 56.8 83.6 48 48 A Y S > S+ 0 0 0 -9,-2.4 3,-2.6 -2,-0.3 110,-0.3 0.718 80.3 114.3 -81.1 -25.4 7.1 60.2 82.0 49 49 A K T 3 S+ 0 0 127 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.259 89.0 11.3 -52.6 123.4 9.4 62.1 84.4 50 50 A G T 3 S+ 0 0 52 108,-2.9 -1,-0.3 1,-0.3 109,-0.1 0.302 98.4 121.1 92.6 -11.8 12.6 63.0 82.6 51 51 A S < - 0 0 1 -3,-2.6 107,-2.8 107,-0.2 -1,-0.3 -0.387 51.2-138.5 -81.0 165.0 11.4 62.1 79.1 52 52 A C B -D 157 0A 29 14,-0.3 2,-0.9 105,-0.3 13,-0.6 -0.748 19.5-105.2-122.6 168.8 11.4 64.8 76.4 53 53 A F - 0 0 3 103,-2.2 103,-0.4 -2,-0.2 11,-0.3 -0.852 36.4-179.2 -91.7 104.5 9.2 65.9 73.6 54 54 A H + 0 0 38 -2,-0.9 2,-0.4 9,-0.3 98,-0.3 0.612 65.4 45.9 -82.7 -12.4 11.1 64.5 70.6 55 55 A R E +E 63 0A 52 8,-1.8 8,-3.6 96,-0.1 2,-0.5 -0.904 57.9 165.5-140.9 111.4 8.7 65.9 68.0 56 56 A I E -E 62 0A 0 94,-2.1 91,-2.0 -2,-0.4 94,-0.4 -0.961 7.7-178.2-127.4 114.6 7.3 69.4 67.8 57 57 A I E >> -E 61 0A 27 4,-2.5 3,-2.5 -2,-0.5 4,-1.2 -0.897 30.8-126.7-115.3 102.1 5.6 70.7 64.6 58 58 A P T 34 S+ 0 0 60 0, 0.0 82,-0.0 0, 0.0 -2,-0.0 -0.148 94.6 15.9 -46.4 129.6 4.5 74.3 65.1 59 59 A G T 34 S+ 0 0 49 1,-0.1 81,-0.0 57,-0.1 56,-0.0 0.430 128.8 54.3 84.0 -1.8 0.8 74.7 64.2 60 60 A F T <4 S- 0 0 21 -3,-2.5 56,-2.2 1,-0.2 2,-0.3 0.583 105.5 -52.7-124.1 -75.3 0.2 71.0 64.4 61 61 A M E < -EF 57 115A 0 -4,-1.2 -4,-2.5 54,-0.2 2,-0.5 -0.996 28.8-118.4-168.8 165.2 1.2 69.3 67.6 62 62 A C E -EF 56 114A 0 52,-2.1 52,-2.6 -2,-0.3 2,-0.4 -0.964 32.9-164.5-113.3 121.4 3.8 68.5 70.3 63 63 A Q E +EF 55 113A 0 -8,-3.6 -8,-1.8 -2,-0.5 -9,-0.3 -0.899 23.8 130.4-114.2 137.3 4.7 64.8 70.7 64 64 A G E + F 0 112A 0 48,-2.0 48,-2.1 -2,-0.4 -11,-0.2 -0.804 19.4 106.1-156.5-165.0 6.4 63.1 73.6 65 65 A G + 0 0 0 -13,-0.6 2,-1.5 46,-0.2 -12,-0.1 0.420 42.8 126.8 99.6 -3.2 6.2 60.1 75.9 66 66 A D > + 0 0 2 -14,-0.4 4,-1.0 1,-0.2 -14,-0.3 -0.668 23.3 161.8 -89.3 85.2 8.8 57.8 74.5 67 67 A F T 4 + 0 0 30 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.367 67.0 51.4 -88.0 6.9 10.7 57.2 77.7 68 68 A T T 4 S+ 0 0 57 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.772 128.8 10.4-108.2 -39.0 12.6 54.0 76.5 69 69 A R T 4 S- 0 0 155 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.502 83.7-143.5-117.4 -11.3 14.1 55.1 73.2 70 70 A H S < S+ 0 0 99 -4,-1.0 -3,-0.1 1,-0.1 -5,-0.0 0.673 79.9 78.4 56.7 23.9 13.6 58.8 73.3 71 71 A N S S- 0 0 93 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.214 112.5 -88.4-145.4 19.8 12.9 59.1 69.5 72 72 A G S S+ 0 0 7 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.363 110.4 90.4 89.1 -6.5 9.4 58.0 68.8 73 73 A T S S+ 0 0 98 -7,-0.1 2,-0.1 259,-0.0 -1,-0.0 0.505 85.9 43.3 -99.5 -5.7 10.4 54.3 68.3 74 74 A G + 0 0 16 258,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.200 54.6 109.4-118.4-151.7 9.9 53.3 71.9 75 75 A G - 0 0 11 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 0.077 36.7-145.1 95.0 152.4 7.6 53.5 75.0 76 76 A K - 0 0 53 33,-0.2 5,-0.2 6,-0.0 33,-0.1 -0.989 9.3-126.6-151.7 153.9 5.4 51.1 76.7 77 77 A S B > -I 80 0B 2 3,-2.0 3,-1.0 -2,-0.3 33,-0.1 -0.441 33.1-106.7 -95.3 173.5 2.0 51.1 78.5 78 78 A I T 3 S+ 0 0 34 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.502 120.8 56.9 -76.7 -3.1 1.2 49.8 82.0 79 79 A Y T 3 S- 0 0 93 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.481 125.9 -76.4-103.8 -6.7 -0.6 47.0 80.2 80 80 A G B < S-I 77 0B 30 -3,-1.0 -3,-2.0 1,-0.1 -1,-0.4 -0.924 77.2 -37.3 140.5-164.1 2.4 45.8 78.2 81 81 A E S S- 0 0 133 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.806 123.6 -6.6 -64.6 -28.9 4.2 47.0 75.1 82 82 A K - 0 0 134 -6,-0.1 2,-0.3 -3,-0.1 27,-0.2 -0.947 60.5-157.6-167.4 144.3 1.0 48.1 73.5 83 83 A F B -J 108 0C 8 25,-2.2 25,-1.5 -2,-0.3 3,-0.1 -0.808 32.6 -88.4-122.8 166.2 -2.8 48.0 73.9 84 84 A E - 0 0 84 -2,-0.3 2,-0.7 23,-0.1 -1,-0.1 -0.128 48.6 -89.5 -69.5 163.4 -5.8 48.3 71.6 85 85 A D - 0 0 24 1,-0.2 -1,-0.1 -53,-0.0 3,-0.1 -0.674 38.0-154.2 -74.8 113.5 -7.6 51.4 70.6 86 86 A E - 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