==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-JUL-11 2RS4 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.TAKEDA,J.JEE,A.M.ONO,K.OKUMA,T.TERAUCHI,M.KAINOSHO . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 64.6 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 . 44 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 1.2 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 . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 11.6 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 1 0 0 0 0 0 1 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 3 1 1 3 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 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 1 A M 0 0 78 0, 0.0 162,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.0 -2.0 -0.8 1.4 2 2 A V E -AB 13 162A 0 11,-2.8 11,-2.8 160,-0.2 2,-0.5 -0.989 360.0-157.9-127.1 128.3 -5.2 -1.6 -0.7 3 3 A T E -AB 12 161A 20 158,-3.1 158,-2.5 -2,-0.4 2,-0.5 -0.905 7.0-158.4-100.4 125.6 -8.8 -1.8 0.6 4 4 A F E -AB 11 160A 0 7,-2.9 7,-2.7 -2,-0.5 2,-0.8 -0.915 4.8-156.5-101.4 128.0 -11.3 -3.8 -1.4 5 5 A H E -AB 10 159A 64 154,-2.9 154,-1.9 -2,-0.5 153,-1.8 -0.874 25.1-179.1-101.2 95.8 -15.0 -3.1 -0.9 6 6 A T E > -AB 9 157A 9 3,-1.5 3,-1.4 -2,-0.8 151,-0.2 -0.742 42.0-118.7 -99.9 152.4 -16.7 -6.3 -2.0 7 7 A N T 3 S+ 0 0 52 149,-2.3 150,-0.1 -2,-0.3 3,-0.1 0.641 120.0 48.8 -60.3 -13.8 -20.5 -7.1 -2.1 8 8 A H T 3 S- 0 0 47 1,-0.4 -1,-0.3 148,-0.3 2,-0.2 0.534 130.1 -63.2 -98.0 -11.1 -19.7 -10.0 0.5 9 9 A G E < -A 6 0A 22 -3,-1.4 -3,-1.5 2,-0.0 -1,-0.4 -0.748 60.7 -59.3 147.9 167.8 -17.6 -7.6 2.8 10 10 A D E -A 5 0A 77 -5,-0.2 2,-0.3 -2,-0.2 122,-0.2 -0.560 44.0-172.8 -75.3 137.2 -14.6 -5.3 3.2 11 11 A I E -A 4 0A 0 -7,-2.7 -7,-2.9 -2,-0.2 2,-0.4 -0.989 8.2-154.8-133.2 140.5 -11.0 -6.8 2.8 12 12 A V E -AC 3 128A 15 116,-2.6 115,-3.3 -2,-0.3 116,-1.4 -0.974 7.6-166.9-124.0 134.2 -7.6 -5.0 3.5 13 13 A I E -AC 2 126A 0 -11,-2.8 -11,-2.8 -2,-0.4 2,-0.5 -0.961 12.0-146.2-123.0 133.9 -4.3 -6.0 1.8 14 14 A K E - C 0 125A 100 111,-2.8 111,-2.5 -2,-0.4 2,-0.2 -0.875 22.0-139.4 -99.6 126.9 -0.7 -4.9 2.8 15 15 A T E - C 0 124A 16 -2,-0.5 2,-0.9 109,-0.2 109,-0.3 -0.605 5.4-137.1 -89.1 146.8 1.7 -4.5 -0.2 16 16 A F > + 0 0 33 107,-3.1 4,-2.1 -2,-0.2 3,-0.3 -0.634 37.1 158.3-103.6 73.7 5.3 -5.6 -0.2 17 17 A D T 4 S+ 0 0 80 -2,-0.9 -1,-0.2 1,-0.2 8,-0.1 0.767 76.3 51.0 -69.9 -26.3 7.0 -2.6 -1.9 18 18 A D T 4 S+ 0 0 158 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.756 121.6 33.7 -77.9 -28.0 10.4 -3.5 -0.4 19 19 A K T 4 S+ 0 0 114 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.577 137.2 18.1-101.7 -18.9 10.1 -7.1 -1.7 20 20 A A X + 0 0 0 -4,-2.1 4,-2.8 103,-0.1 5,-0.3 -0.312 65.6 156.8-155.0 55.4 8.1 -6.5 -4.9 21 21 A P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.905 80.5 43.7 -59.7 -45.0 8.3 -2.8 -6.1 22 22 A E H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.915 116.2 47.8 -68.3 -41.8 7.6 -3.4 -9.8 23 23 A T H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.933 115.9 43.8 -65.4 -45.4 4.8 -5.8 -9.0 24 24 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 -8,-0.2 5,-0.3 0.916 109.4 56.7 -67.0 -43.1 3.1 -3.5 -6.5 25 25 A K H X S+ 0 0 112 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.911 109.0 46.3 -56.7 -42.5 3.6 -0.3 -8.7 26 26 A N H X S+ 0 0 13 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.879 112.8 50.0 -70.2 -37.9 1.6 -2.0 -11.5 27 27 A F H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 3,-0.3 0.944 114.6 43.6 -60.9 -49.0 -1.2 -3.2 -9.1 28 28 A L H X S+ 0 0 34 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.892 106.9 60.7 -69.0 -38.0 -1.5 0.3 -7.6 29 29 A D H X S+ 0 0 34 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.833 109.4 43.7 -57.3 -33.9 -1.4 2.0 -11.0 30 30 A Y H X>S+ 0 0 17 -4,-1.3 5,-2.4 -3,-0.3 4,-1.0 0.911 112.4 50.0 -76.8 -44.7 -4.6 -0.0 -11.9 31 31 A C H <5S+ 0 0 11 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.878 107.8 56.6 -60.0 -36.0 -6.3 0.6 -8.6 32 32 A R H <5S+ 0 0 153 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 110.4 43.3 -63.8 -34.3 -5.5 4.4 -9.2 33 33 A E H <5S- 0 0 134 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.588 117.2-116.0 -83.4 -14.5 -7.4 4.2 -12.6 34 34 A G T ><5 + 0 0 19 -4,-1.0 3,-1.5 -3,-0.3 -3,-0.2 0.628 67.5 144.4 84.5 19.2 -10.2 2.2 -10.9 35 35 A F T 3 S+ 0 0 0 -6,-0.3 3,-1.1 3,-0.1 -1,-0.3 0.482 83.4 112.8 -96.1 -3.6 -10.4 -3.3 -10.3 37 37 A N T < S+ 0 0 68 -3,-1.5 121,-0.2 1,-0.3 122,-0.2 -0.500 89.0 10.0 -65.5 135.3 -13.7 -1.5 -9.6 38 38 A N T 3 S+ 0 0 83 119,-1.6 2,-0.3 1,-0.2 -1,-0.3 0.887 98.2 141.0 54.2 47.2 -16.6 -3.8 -10.6 39 39 A T E < -D 157 0A 2 -3,-1.1 118,-3.2 118,-1.0 17,-0.2 -0.870 40.7-129.8-114.4 151.2 -14.3 -6.9 -11.0 40 40 A I E -D 156 0A 16 15,-2.2 13,-1.8 -2,-0.3 2,-1.2 -0.563 18.2-115.9-103.3 162.1 -15.1 -10.5 -9.9 41 41 A F - 0 0 4 114,-1.8 11,-0.3 11,-0.3 114,-0.1 -0.778 40.8-176.9 -89.4 86.4 -13.5 -13.4 -7.9 42 42 A H + 0 0 2 -2,-1.2 2,-0.3 108,-0.1 10,-0.2 0.345 52.2 48.4 -80.1 2.6 -13.3 -15.7 -11.0 43 43 A R E +E 51 0A 74 8,-1.6 8,-1.0 107,-0.1 2,-0.3 -0.986 46.3 165.1-144.3 143.2 -11.9 -19.0 -9.4 44 44 A V E +E 50 0A 15 105,-2.5 2,-0.4 -2,-0.3 6,-0.2 -0.961 9.3 178.6-149.1 131.2 -12.6 -21.2 -6.4 45 45 A I > - 0 0 65 4,-0.8 3,-1.8 -2,-0.3 2,-0.1 -1.000 34.1-110.7-137.6 129.6 -11.3 -24.8 -5.9 46 46 A N T 3 S+ 0 0 156 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.364 105.9 12.4 -62.8 133.5 -11.8 -27.2 -2.9 47 47 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.554 125.7 72.6 70.8 9.4 -8.6 -27.7 -0.8 48 48 A F S < S- 0 0 61 -3,-1.8 -1,-0.3 1,-0.1 -3,-0.2 -0.726 83.3 -81.0-141.9-177.3 -7.1 -24.7 -2.8 49 49 A M - 0 0 12 -2,-0.2 -4,-0.8 -3,-0.1 2,-0.4 -0.111 33.5-108.0 -88.9-179.3 -7.2 -20.9 -3.1 50 50 A I E -EF 44 100A 1 50,-1.7 50,-2.3 -6,-0.2 2,-0.3 -0.947 22.0-153.6-114.3 135.9 -9.4 -18.2 -4.8 51 51 A Q E +EF 43 99A 43 -8,-1.0 -8,-1.6 -2,-0.4 2,-0.3 -0.801 23.5 164.2-106.3 150.8 -8.4 -16.0 -7.9 52 52 A G E + F 0 98A 0 46,-2.7 46,-1.6 -2,-0.3 -11,-0.3 -0.928 38.6 51.5-157.1 172.9 -9.8 -12.5 -8.6 53 53 A G S S+ 0 0 0 -13,-1.8 -12,-0.1 -2,-0.3 46,-0.1 0.333 77.7 105.8 77.1 -2.3 -9.8 -9.2 -10.4 54 54 A G S S+ 0 0 3 -14,-0.5 8,-0.7 44,-0.2 2,-0.3 0.605 78.7 22.9 -86.3 -14.9 -9.4 -10.8 -13.9 55 55 A F B -I 61 0B 23 -15,-0.4 -15,-2.2 6,-0.2 6,-0.2 -0.913 69.5-113.6-145.4 167.1 -13.0 -10.3 -15.3 56 56 A E > - 0 0 63 4,-1.6 3,-1.8 -2,-0.3 4,-0.4 -0.632 47.7 -95.3 -96.6 164.5 -16.3 -8.2 -15.1 57 57 A P T 3 S+ 0 0 59 0, 0.0 -18,-0.1 0, 0.0 -19,-0.0 0.608 122.8 60.1 -63.4 -11.9 -19.6 -9.8 -14.0 58 58 A G T 3 S- 0 0 51 2,-0.1 3,-0.1 0, 0.0 0, 0.0 0.119 121.4-104.5 -94.6 15.9 -20.7 -10.5 -17.6 59 59 A M < + 0 0 45 -3,-1.8 2,-0.4 1,-0.2 -17,-0.0 0.716 69.5 159.1 61.4 26.5 -17.6 -12.8 -18.1 60 60 A K - 0 0 128 -4,-0.4 -4,-1.6 1,-0.1 2,-0.5 -0.667 42.9-125.3 -83.2 127.2 -16.1 -10.0 -20.2 61 61 A Q B -I 55 0B 162 -2,-0.4 -6,-0.2 -6,-0.2 -1,-0.1 -0.620 28.6-133.8 -73.6 119.2 -12.3 -10.0 -20.6 62 62 A K - 0 0 19 -8,-0.7 2,-1.8 -2,-0.5 -1,-0.1 -0.204 26.3 -95.1 -69.4 164.8 -10.7 -6.7 -19.5 63 63 A A - 0 0 66 -2,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.499 51.6-170.1 -84.9 66.0 -8.1 -4.7 -21.3 64 64 A T + 0 0 58 -2,-1.8 2,-0.2 -10,-0.1 32,-0.0 -0.415 12.3 165.1 -69.2 134.5 -5.0 -6.2 -19.5 65 65 A K + 0 0 114 1,-0.2 -1,-0.0 -2,-0.1 -2,-0.0 -0.786 37.2 42.6-137.7 174.1 -1.6 -4.4 -20.1 66 66 A E - 0 0 133 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.894 66.7-146.1 47.1 66.2 2.0 -4.0 -18.9 67 67 A P - 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