==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-JUL-09 3ICI . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KOZLOV,K.GEHRING . 382 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 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 . 114 29.8 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 . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 1 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 . 8 0 6 4 0 0 0 0 2 0 2 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 -3 A G 0 0 88 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 22.6 -10.4 5.4 -38.5 2 -2 A P > - 0 0 97 0, 0.0 4,-2.6 0, 0.0 5,-0.1 -0.330 360.0-133.2 -51.5 136.6 -14.1 4.8 -39.5 3 -1 A L H > S+ 0 0 144 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.764 99.5 57.2 -72.0 -32.9 -16.2 5.8 -36.4 4 0 A G H > S+ 0 0 54 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.966 114.1 40.8 -58.8 -53.9 -18.6 2.8 -36.3 5 1 A S H >4 S+ 0 0 86 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.953 114.2 52.5 -56.3 -55.3 -15.6 0.5 -36.1 6 2 A D H 3< S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 106.4 53.6 -46.6 -51.2 -13.7 2.8 -33.6 7 3 A E H 3< 0 0 118 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.839 360.0 360.0 -57.2 -37.9 -16.8 3.0 -31.3 8 4 A K << 0 0 165 -4,-1.5 378,-0.1 -3,-0.5 -3,-0.0 -0.082 360.0 360.0 -74.2 360.0 -16.8 -0.9 -31.2 9 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 10 6 A K 0 0 62 0, 0.0 376,-2.5 0, 0.0 176,-0.2 0.000 360.0 360.0 360.0 122.9 -13.0 1.5 -27.2 11 7 A G - 0 0 0 174,-3.1 374,-0.3 374,-0.3 175,-0.1 -0.004 360.0 -38.0-104.0-156.1 -12.1 0.5 -23.6 12 8 A P - 0 0 0 0, 0.0 173,-1.8 0, 0.0 2,-0.4 -0.146 60.3-104.9 -69.9 160.3 -13.4 0.7 -20.1 13 9 A K E -A 184 0A 34 370,-2.5 26,-0.5 171,-0.2 2,-0.5 -0.756 22.6-129.9 -92.3 131.8 -15.1 3.8 -18.6 14 10 A V E +A 183 0A 0 169,-3.2 169,-1.4 -2,-0.4 23,-0.2 -0.691 30.1 172.7 -74.9 125.5 -13.3 6.1 -16.2 15 11 A T E + 0 0 32 21,-2.6 164,-0.6 -2,-0.5 2,-0.3 0.482 63.2 5.7-115.6 -10.2 -15.5 6.5 -13.2 16 12 A V E -AB 178 36A 18 20,-0.8 20,-2.8 162,-0.2 -1,-0.4 -0.949 66.0-137.2-167.7 156.8 -13.3 8.5 -10.8 17 13 A K E -AB 177 35A 43 160,-2.3 160,-2.7 -2,-0.3 2,-0.4 -0.900 7.4-160.3-123.4 154.2 -9.8 10.1 -10.9 18 14 A V E -AB 176 34A 0 16,-1.8 16,-3.1 -2,-0.3 2,-0.4 -0.989 8.4-153.3-129.5 140.6 -6.9 10.3 -8.5 19 15 A Y E -AB 175 33A 43 156,-2.3 156,-1.5 -2,-0.4 2,-0.4 -0.918 5.7-167.7-109.3 144.5 -4.0 12.8 -8.4 20 16 A F E -AB 174 32A 1 12,-2.5 12,-2.5 -2,-0.4 2,-0.6 -1.000 9.5-155.5-119.9 129.3 -0.5 12.4 -7.1 21 17 A D E -AB 173 31A 39 152,-2.9 151,-2.3 -2,-0.4 152,-1.3 -0.935 27.1-155.7 -96.3 122.8 1.8 15.4 -6.6 22 18 A L E -AB 171 30A 4 8,-2.7 7,-2.4 -2,-0.6 8,-0.9 -0.706 16.6-166.3-109.2 150.8 5.3 14.0 -6.9 23 19 A R E -AB 170 28A 62 147,-1.9 147,-2.0 -2,-0.3 2,-0.5 -0.988 8.6-159.8-131.1 140.3 8.7 15.1 -5.6 24 20 A I E > S-AB 169 27A 16 3,-2.7 3,-1.6 -2,-0.4 2,-0.2 -0.967 74.8 -41.2-120.2 114.9 12.2 13.9 -6.5 25 21 A G T 3 S- 0 0 22 143,-2.5 145,-0.2 -2,-0.5 142,-0.0 -0.523 125.2 -27.7 60.8-131.0 14.6 14.9 -3.7 26 22 A D T 3 S+ 0 0 114 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.223 119.1 102.1 -95.8 15.5 13.6 18.4 -2.7 27 23 A E E < -B 24 0A 127 -3,-1.6 -3,-2.7 2,-0.0 2,-0.3 -0.877 68.5-135.2-107.0 126.3 12.2 19.2 -6.1 28 24 A D E -B 23 0A 113 -2,-0.5 -5,-0.2 -5,-0.2 -2,-0.1 -0.598 23.1-179.5 -69.6 129.9 8.5 19.3 -7.1 29 25 A V E - 0 0 10 -7,-2.4 2,-0.2 1,-0.3 -6,-0.2 0.513 41.5 -98.1-113.3 -8.1 8.1 17.5 -10.4 30 26 A G E -B 22 0A 29 -8,-0.9 -8,-2.7 120,-0.0 2,-0.4 -0.657 40.3 -54.0 125.7-177.7 4.4 17.8 -11.1 31 27 A R E -B 21 0A 113 -10,-0.2 2,-0.4 -2,-0.2 -10,-0.2 -0.827 30.8-162.1-106.9 138.8 1.0 16.1 -10.9 32 28 A V E -B 20 0A 2 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.5 -0.965 9.7-160.2-115.6 137.5 -0.0 12.8 -12.3 33 29 A I E -BC 19 146A 17 113,-2.4 112,-3.2 -2,-0.4 113,-1.5 -0.984 4.3-162.5-123.8 127.1 -3.8 12.1 -12.8 34 30 A F E -BC 18 144A 0 -16,-3.1 -16,-1.8 -2,-0.5 2,-0.5 -0.835 11.0-146.7-108.0 143.8 -5.2 8.6 -13.1 35 31 A G E -BC 17 143A 0 108,-2.6 108,-2.2 -2,-0.4 2,-0.3 -0.946 22.8-151.9-105.3 131.1 -8.5 7.6 -14.4 36 32 A L E -BC 16 142A 0 -20,-2.8 -21,-2.6 -2,-0.5 2,-1.2 -0.832 14.9-132.1-114.3 146.1 -9.8 4.5 -12.6 37 33 A F >> + 0 0 0 104,-2.3 4,-2.7 -2,-0.3 3,-0.9 -0.619 35.4 164.8 -99.1 74.2 -12.2 1.8 -13.9 38 34 A G T 34 S+ 0 0 14 -2,-1.2 -1,-0.2 1,-0.3 8,-0.1 0.556 73.2 49.9 -77.0 -12.0 -14.6 1.6 -11.0 39 35 A K T 34 S+ 0 0 137 -26,-0.5 -1,-0.3 344,-0.2 345,-0.1 0.635 115.5 44.2 -89.8 -18.3 -17.3 -0.3 -12.9 40 36 A T T <4 S+ 0 0 2 -3,-0.9 -2,-0.2 -27,-0.3 61,-0.1 0.863 135.5 10.7 -91.8 -43.9 -14.9 -2.9 -14.2 41 37 A V S X S+ 0 0 0 -4,-2.7 4,-2.6 100,-0.1 5,-0.3 -0.605 74.5 165.5-132.9 69.2 -12.9 -3.5 -11.0 42 38 A P H > S+ 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.853 74.1 48.0 -58.7 -39.0 -14.9 -1.8 -8.3 43 39 A K H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 114.9 46.0 -72.5 -37.1 -13.2 -3.4 -5.2 44 40 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 114.8 47.0 -71.2 -42.5 -9.7 -2.7 -6.6 45 41 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.934 109.4 54.0 -65.1 -46.1 -10.6 0.9 -7.5 46 42 A D H X S+ 0 0 92 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.901 109.3 49.6 -55.6 -40.7 -12.2 1.5 -4.1 47 43 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.959 113.2 45.1 -61.3 -53.9 -9.0 0.3 -2.4 48 44 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.929 115.4 46.7 -56.8 -46.1 -6.7 2.6 -4.5 49 45 A V H X S+ 0 0 13 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.916 111.0 51.8 -65.7 -42.0 -9.0 5.6 -4.1 50 46 A A H X>S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.3 5,-0.9 0.909 110.9 48.6 -62.5 -40.3 -9.4 5.2 -0.4 51 47 A L H <5S+ 0 0 0 -4,-2.3 9,-2.1 1,-0.2 10,-0.5 0.852 109.6 52.4 -71.5 -31.5 -5.6 5.0 0.0 52 48 A A H <5S+ 0 0 2 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.882 113.9 42.3 -67.6 -39.6 -5.2 8.1 -2.1 53 49 A T H <5S- 0 0 49 -4,-2.4 -2,-0.2 122,-0.2 -1,-0.2 0.782 99.4-136.5 -76.7 -25.3 -7.7 10.1 0.1 54 50 A G T ><5 + 0 0 30 -4,-1.9 3,-2.3 -5,-0.2 -3,-0.2 0.585 53.9 146.3 78.4 14.2 -6.3 8.7 3.3 55 51 A E T 3 < + 0 0 114 -5,-0.9 -4,-0.1 1,-0.3 4,-0.1 0.612 63.5 56.1 -64.3 -18.1 -9.8 8.2 4.6 56 52 A K T 3 S- 0 0 110 2,-0.6 -1,-0.3 -6,-0.4 3,-0.1 0.377 124.6 -98.0 -90.0 2.0 -9.1 5.0 6.6 57 53 A G S < S+ 0 0 74 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.434 102.5 57.1 92.5 3.9 -6.4 6.8 8.6 58 54 A F + 0 0 56 -8,-0.1 -2,-0.6 -4,-0.1 2,-0.3 -0.961 61.1 108.1-153.3 163.7 -3.5 5.5 6.4 59 55 A G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.998 69.5 -33.5 158.6-155.1 -2.6 5.6 2.8 60 56 A Y S > S+ 0 0 0 -9,-2.1 3,-2.4 -2,-0.3 111,-0.3 0.666 80.0 115.6 -77.3 -24.1 -0.3 6.9 0.0 61 57 A K T 3 S+ 0 0 116 -10,-0.5 -2,-0.2 1,-0.3 111,-0.2 -0.236 91.2 6.7 -53.6 135.5 0.5 10.4 1.2 62 58 A N T 3 S+ 0 0 85 109,-3.2 -1,-0.3 1,-0.2 110,-0.1 0.275 99.7 126.9 71.8 -6.1 4.3 10.7 1.9 63 59 A S < - 0 0 9 -3,-2.4 108,-2.6 108,-0.2 -1,-0.2 -0.324 52.0-123.4 -77.2 165.1 5.1 7.2 0.6 64 60 A K B -D 170 0A 39 14,-0.4 2,-1.0 106,-0.2 13,-0.5 -0.673 13.8-118.7-108.6 159.1 7.8 6.6 -2.0 65 61 A F - 0 0 2 104,-2.5 104,-0.4 -2,-0.2 11,-0.3 -0.888 38.7-176.9 -86.2 99.8 8.3 5.0 -5.4 66 62 A H + 0 0 18 -2,-1.0 2,-0.4 9,-0.4 10,-0.2 0.579 60.2 41.2 -85.7 -13.2 10.7 2.5 -4.1 67 63 A R E +E 75 0A 99 8,-1.5 8,-3.0 97,-0.2 2,-0.4 -0.980 57.4 176.6-140.9 131.7 11.5 0.8 -7.4 68 64 A V E -E 74 0A 2 95,-2.5 2,-0.5 -2,-0.4 6,-0.2 -0.997 2.3-178.7-129.6 123.8 12.1 2.3 -10.9 69 65 A I E >> -E 73 0A 43 4,-2.8 4,-1.6 -2,-0.4 3,-1.5 -0.937 27.9-130.5-124.9 107.6 13.0 0.2 -14.0 70 66 A K T 34 S+ 0 0 121 -2,-0.5 86,-0.1 1,-0.3 82,-0.0 -0.281 92.8 16.9 -54.8 139.8 13.5 2.3 -17.1 71 67 A D T 34 S+ 0 0 108 1,-0.1 -1,-0.3 57,-0.1 56,-0.0 0.716 130.5 53.3 66.5 21.8 11.6 0.9 -20.2 72 68 A F T <4 S- 0 0 50 -3,-1.5 56,-2.6 1,-0.2 57,-0.9 0.298 104.3 -57.4-139.6 -74.9 9.5 -1.2 -17.8 73 69 A M E < -EF 69 127A 4 -4,-1.6 -4,-2.8 54,-0.3 2,-0.4 -0.980 26.9-120.7-167.8 168.4 7.6 0.5 -14.9 74 70 A I E -EF 68 126A 0 52,-1.9 52,-2.7 -2,-0.3 2,-0.4 -0.976 33.1-160.6-122.8 141.8 7.7 2.6 -11.7 75 71 A Q E +EF 67 125A 18 -8,-3.0 -8,-1.5 -2,-0.4 -9,-0.4 -0.971 23.2 130.2-130.2 141.1 6.4 1.0 -8.5 76 72 A G E + F 0 124A 0 48,-2.5 48,-1.6 -2,-0.4 -11,-0.2 -0.720 20.2 112.9-157.6-155.0 5.2 2.3 -5.1 77 73 A G + 0 0 0 -13,-0.5 2,-1.4 46,-0.3 -12,-0.1 0.486 43.8 130.2 86.0 7.0 2.4 2.1 -2.5 78 74 A D > + 0 0 2 -14,-0.5 4,-0.9 1,-0.2 -14,-0.4 -0.709 23.0 163.4 -87.4 86.8 4.4 0.5 0.3 79 75 A F T 4 + 0 0 42 -2,-1.4 -1,-0.2 1,-0.2 -20,-0.1 0.436 67.0 50.9 -88.7 1.8 3.4 3.0 2.9 80 76 A T T 4 S+ 0 0 62 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.758 131.6 4.0-106.8 -32.8 4.4 0.8 5.9 81 77 A R T 4 S- 0 0 157 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.528 79.2-141.2-129.2 -13.0 8.0 -0.2 5.0 82 78 A G S < S+ 0 0 13 -4,-0.9 -3,-0.1 1,-0.1 -5,-0.0 0.735 81.4 81.9 55.7 30.9 8.8 1.6 1.7 83 79 A D S S- 0 0 94 -7,-0.0 -1,-0.1 81,-0.0 -4,-0.0 0.299 110.1 -89.5-143.3 6.3 10.8 -1.3 0.2 84 80 A G S S+ 0 0 29 -6,-0.1 39,-0.1 -17,-0.0 -8,-0.0 0.372 108.1 89.2 98.2 -4.8 8.2 -3.7 -1.3 85 81 A T S S+ 0 0 67 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.484 85.4 48.5-101.0 -1.2 7.6 -5.9 1.7 86 82 A G + 0 0 2 2,-0.0 36,-0.3 35,-0.0 37,-0.3 -0.255 51.8 94.0-125.6-155.5 4.8 -3.8 3.2 87 83 A G - 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