==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 22-NOV-99 1C5F . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUGIA MALAYI; . AUTHOR P.J.ELLIS,C.K.S.CARLOW,D.MA,P.KUHN . 1483 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 942 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 423 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 24 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 7 0.5 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 . 147 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 8 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 34 0 21 19 0 0 7 5 4 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 6 2 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 0 174 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.7 12.7 16.3 47.5 2 2 A S > - 0 0 55 1,-0.1 3,-1.6 2,-0.0 4,-0.2 -0.942 360.0-164.1-133.5 113.6 13.6 16.5 51.2 3 3 A K G > S+ 0 0 158 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.710 94.5 70.1 -62.6 -18.3 14.8 13.6 53.3 4 4 A K G 3 S+ 0 0 192 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.806 91.0 58.1 -67.3 -30.9 14.0 16.0 56.2 5 5 A D G < S+ 0 0 80 -3,-1.6 2,-0.5 2,-0.1 -1,-0.2 0.492 81.3 108.7 -78.9 -5.6 10.3 15.6 55.4 6 6 A R < - 0 0 37 -3,-1.1 2,-0.2 -4,-0.2 22,-0.1 -0.642 55.3-159.2 -80.1 124.2 10.5 11.8 55.9 7 7 A R - 0 0 98 -2,-0.5 20,-2.3 20,-0.2 2,-0.4 -0.472 7.0-130.2 -97.9 168.4 8.7 10.7 59.1 8 8 A R E +A 26 0A 102 168,-0.3 168,-2.7 18,-0.2 2,-0.3 -0.962 22.4 176.7-126.0 140.4 9.1 7.5 61.2 9 9 A V E -AB 25 175A 0 16,-2.1 16,-2.5 -2,-0.4 2,-0.3 -0.874 10.9-149.3-134.1 166.5 6.5 5.1 62.6 10 10 A F E -AB 24 174A 18 164,-2.4 164,-1.2 -2,-0.3 2,-0.4 -0.972 9.3-155.2-141.1 155.8 6.4 1.9 64.5 11 11 A L E -AB 23 173A 0 12,-2.0 12,-2.0 -2,-0.3 2,-0.8 -0.957 11.0-157.8-130.9 110.3 4.4 -1.3 64.9 12 12 A D E -AB 22 172A 5 160,-2.9 160,-1.4 -2,-0.4 159,-0.7 -0.821 23.5-161.0 -91.0 114.3 4.7 -3.2 68.3 13 13 A V E -AB 21 170A 0 8,-1.9 7,-2.2 -2,-0.8 8,-0.7 -0.638 17.2-169.6-100.9 151.8 3.6 -6.8 67.5 14 14 A T E -AB 19 169A 7 155,-2.0 155,-2.7 -2,-0.2 2,-0.6 -0.995 10.4-154.0-137.0 140.7 2.4 -9.7 69.7 15 15 A I E > S-AB 18 168A 20 3,-2.5 3,-1.8 -2,-0.4 153,-0.2 -0.953 86.4 -21.9-117.6 108.2 2.0 -13.3 68.6 16 16 A D T 3 S- 0 0 102 151,-2.9 -1,-0.2 -2,-0.6 152,-0.1 0.888 129.6 -52.0 57.9 38.7 -0.6 -15.0 70.8 17 17 A G T 3 S+ 0 0 58 150,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.087 112.0 121.4 88.5 -23.3 0.1 -12.4 73.4 18 18 A N E < S-A 15 0A 118 -3,-1.8 -3,-2.5 1,-0.1 -1,-0.2 -0.567 71.6-108.3 -80.1 135.9 3.8 -12.8 73.4 19 19 A L E +A 14 0A 87 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.421 36.3 177.5 -63.4 128.2 6.0 -9.8 72.6 20 20 A A E - 0 0 29 -7,-2.2 2,-0.2 1,-0.4 -6,-0.2 0.483 45.2 -99.6-110.7 -8.7 7.6 -10.3 69.2 21 21 A G E -A 13 0A 36 -8,-0.7 -8,-1.9 2,-0.0 2,-0.4 -0.571 39.7 -66.4 117.5 177.4 9.5 -7.0 68.8 22 22 A R E -A 12 0A 54 -10,-0.2 2,-0.6 -2,-0.2 127,-0.2 -0.899 28.2-151.4-114.5 139.4 9.1 -3.6 67.1 23 23 A I E -A 11 0A 0 -12,-2.0 -12,-2.0 -2,-0.4 2,-0.5 -0.936 14.2-165.1-107.1 122.3 9.0 -2.8 63.4 24 24 A V E -AC 10 145A 12 121,-2.9 120,-2.6 -2,-0.6 121,-1.5 -0.949 8.2-170.9-112.4 124.2 10.3 0.7 62.6 25 25 A M E -AC 9 143A 0 -16,-2.5 -16,-2.1 -2,-0.5 2,-0.6 -0.878 19.5-142.6-118.1 147.2 9.6 2.2 59.2 26 26 A E E -AC 8 142A 38 116,-3.4 116,-1.7 -2,-0.3 2,-0.2 -0.930 21.5-150.8-106.7 116.2 10.8 5.3 57.4 27 27 A L E - C 0 141A 0 -20,-2.3 2,-0.8 -2,-0.6 114,-0.2 -0.604 9.5-136.2 -85.7 147.0 8.0 6.8 55.3 28 28 A Y >> + 0 0 34 112,-2.4 4,-2.0 -2,-0.2 3,-1.8 -0.657 33.9 162.6-105.9 77.4 8.9 8.7 52.1 29 29 A N T 34 S+ 0 0 22 -2,-0.8 -1,-0.2 1,-0.3 -23,-0.1 0.656 74.1 64.3 -67.0 -16.9 6.7 11.8 52.3 30 30 A D T 34 S+ 0 0 31 2,-0.2 -1,-0.3 -3,-0.1 -27,-0.1 0.549 116.6 27.2 -82.3 -9.2 8.9 13.4 49.7 31 31 A I T <4 S+ 0 0 41 -3,-1.8 69,-0.3 109,-0.2 -2,-0.2 0.534 140.1 19.1-125.8 -19.1 7.9 10.8 47.1 32 32 A A X + 0 0 2 -4,-2.0 4,-3.1 108,-0.1 5,-0.3 -0.362 68.5 160.9-153.1 60.1 4.4 9.7 48.3 33 33 A P H > S+ 0 0 69 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.838 77.3 47.1 -53.2 -42.5 3.2 12.6 50.6 34 34 A R H > S+ 0 0 108 2,-0.2 4,-1.2 1,-0.2 -5,-0.1 0.912 116.4 43.5 -70.4 -42.0 -0.5 11.6 50.3 35 35 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.938 114.3 48.0 -69.5 -48.4 0.1 7.9 50.9 36 36 A C H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.858 107.2 57.1 -61.2 -36.5 2.6 8.3 53.8 37 37 A N H X S+ 0 0 60 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.884 105.7 52.1 -63.5 -35.3 0.3 10.8 55.5 38 38 A N H X S+ 0 0 0 -4,-1.2 4,-1.7 -3,-0.2 -2,-0.2 0.960 110.2 47.6 -63.5 -50.6 -2.4 8.2 55.5 39 39 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.925 114.3 44.6 -56.4 -51.7 -0.1 5.6 57.1 40 40 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.912 112.0 51.6 -62.8 -44.6 1.2 7.9 59.8 41 41 A M H X S+ 0 0 40 -4,-2.3 4,-1.1 -5,-0.3 6,-0.7 0.822 111.2 50.7 -62.7 -27.5 -2.3 9.2 60.7 42 42 A L H < S+ 0 0 0 -4,-1.7 17,-2.4 -5,-0.2 18,-0.5 0.791 108.1 50.4 -80.3 -28.1 -3.4 5.6 60.9 43 43 A C H < S+ 0 0 0 -4,-1.6 17,-0.2 -3,-0.2 -2,-0.2 0.926 121.0 34.5 -73.9 -43.6 -0.6 4.6 63.3 44 44 A T H < S- 0 0 31 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.673 95.7-145.7 -83.7 -16.2 -1.3 7.5 65.6 45 45 A G >< + 0 0 13 -4,-1.1 3,-1.1 -5,-0.3 12,-0.2 0.630 55.8 134.5 61.6 14.5 -5.0 7.3 64.9 46 46 A M T 3 + 0 0 143 -5,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.386 49.3 81.7 -76.0 5.5 -5.3 11.1 65.2 47 47 A A T 3 S- 0 0 36 -6,-0.7 2,-0.5 10,-0.5 -1,-0.2 0.383 90.0-140.1 -91.8 3.0 -7.4 11.3 62.1 48 48 A G < - 0 0 41 -3,-1.1 9,-1.3 9,-0.2 2,-0.3 -0.650 46.2 -8.4 89.9-125.2 -10.6 10.4 64.0 49 49 A T B -I 56 0B 88 -2,-0.5 2,-0.3 7,-0.2 6,-0.1 -0.923 69.6 -97.5-124.1 146.9 -13.3 8.1 62.7 50 50 A G > - 0 0 3 5,-2.1 4,-0.7 -2,-0.3 39,-0.1 -0.426 23.1-147.3 -63.7 123.6 -14.0 6.5 59.3 51 51 A K T 4 S+ 0 0 189 -2,-0.3 -1,-0.2 1,-0.2 38,-0.1 0.823 101.2 18.7 -58.6 -33.4 -16.5 8.5 57.3 52 52 A I T 4 S+ 0 0 128 3,-0.1 -1,-0.2 40,-0.0 -2,-0.1 0.803 130.9 45.1-103.6 -47.9 -17.8 5.3 55.8 53 53 A S T 4 S- 0 0 42 2,-0.1 -2,-0.1 1,-0.1 34,-0.0 0.962 80.0-155.1 -62.9 -56.0 -16.6 2.6 58.2 54 54 A G < + 0 0 46 -4,-0.7 -1,-0.1 1,-0.5 3,-0.1 -0.087 60.5 108.0 100.1 -31.6 -17.5 4.4 61.4 55 55 A K S S- 0 0 109 1,-0.1 -5,-2.1 -6,-0.1 -1,-0.5 -0.347 86.3 -77.4 -74.6 156.7 -14.9 2.5 63.2 56 56 A P B -I 49 0B 86 0, 0.0 2,-2.2 0, 0.0 -7,-0.2 -0.321 33.7-125.9 -62.9 134.0 -11.7 4.3 64.3 57 57 A L S S+ 0 0 4 -9,-1.3 -10,-0.5 -12,-0.2 2,-0.3 -0.543 71.0 118.5 -74.9 78.9 -9.0 5.0 61.7 58 58 A H - 0 0 47 -2,-2.2 -15,-0.2 1,-0.1 4,-0.1 -0.939 59.1-153.5-153.4 125.0 -6.3 3.3 63.8 59 59 A Y > + 0 0 0 -17,-2.4 3,-3.3 -2,-0.3 111,-0.3 0.810 67.7 113.3 -65.2 -29.2 -4.1 0.3 63.0 60 60 A K T 3 S+ 0 0 51 -18,-0.5 111,-0.2 1,-0.3 3,-0.1 -0.214 85.2 14.3 -48.5 116.1 -3.8 -0.3 66.8 61 61 A G T 3 S+ 0 0 51 109,-2.0 -1,-0.3 1,-0.4 110,-0.1 0.141 101.8 115.1 101.7 -18.8 -5.6 -3.5 67.6 62 62 A S < - 0 0 8 -3,-3.3 108,-2.3 108,-0.3 -1,-0.4 -0.229 54.5-136.2 -77.0 174.8 -5.7 -4.7 63.9 63 63 A T B -D 169 0A 31 14,-0.4 13,-1.4 106,-0.2 2,-0.7 -0.596 19.8-108.9-125.6-177.5 -3.8 -7.8 62.8 64 64 A F + 0 0 2 104,-1.3 11,-0.3 11,-0.2 104,-0.3 -0.919 42.2 176.0-112.2 92.2 -1.6 -9.2 60.1 65 65 A H + 0 0 13 -2,-0.7 2,-0.4 9,-0.3 10,-0.2 0.549 56.8 42.8 -80.6 -11.6 -4.2 -11.6 58.6 66 66 A R E +E 74 0A 12 8,-1.6 8,-2.9 97,-0.2 2,-0.4 -0.981 59.0 173.5-142.4 128.4 -2.3 -13.0 55.7 67 67 A V E -E 73 0A 3 95,-2.6 2,-0.4 -2,-0.4 6,-0.2 -0.996 9.8-168.0-137.4 138.8 1.3 -14.2 55.3 68 68 A I E >> -E 72 0A 22 4,-2.3 3,-1.8 -2,-0.4 4,-1.0 -0.981 28.6-118.4-127.6 122.2 3.2 -16.0 52.5 69 69 A K T 34 S+ 0 0 99 -2,-0.4 86,-0.1 1,-0.3 82,-0.0 -0.285 98.5 9.1 -57.7 135.2 6.6 -17.6 53.0 70 70 A N T 34 S+ 0 0 107 1,-0.1 -1,-0.3 81,-0.1 81,-0.0 0.679 129.7 61.0 67.7 18.5 9.4 -16.0 50.9 71 71 A F T <4 S- 0 0 2 -3,-1.8 56,-2.0 1,-0.2 57,-0.4 0.486 96.7 -57.9-134.2 -80.0 7.0 -13.2 49.9 72 72 A M E < -EF 68 126A 0 -4,-1.0 -4,-2.3 54,-0.3 2,-0.4 -0.986 29.3-117.7-167.0 171.4 5.3 -10.7 52.3 73 73 A I E -EF 67 125A 0 52,-2.2 52,-2.0 -2,-0.3 2,-0.4 -0.970 28.2-158.3-123.0 140.7 3.0 -10.1 55.3 74 74 A Q E +EF 66 124A 0 -8,-2.9 -8,-1.6 -2,-0.4 -9,-0.3 -0.954 26.2 125.3-126.2 139.9 -0.3 -8.3 55.0 75 75 A G E + F 0 123A 0 48,-2.5 48,-2.6 -2,-0.4 -11,-0.2 -0.886 19.2 111.5-162.9-166.0 -2.5 -6.4 57.5 76 76 A G + 0 0 0 -13,-1.4 2,-1.5 46,-0.3 -12,-0.1 0.427 42.3 134.2 102.0 -1.1 -4.2 -3.1 58.3 77 77 A D + 0 0 4 -14,-0.4 4,-0.5 1,-0.2 -14,-0.4 -0.661 19.3 163.4 -84.9 90.0 -7.8 -4.3 57.9 78 78 A F + 0 0 28 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.193 68.0 50.0 -94.8 16.6 -9.2 -2.7 61.0 79 79 A T S S+ 0 0 15 -24,-0.1 -1,-0.2 -25,-0.0 -2,-0.1 0.580 129.5 8.5-123.1 -23.1 -12.9 -3.0 59.9 80 80 A K S S- 0 0 138 -3,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.591 75.4-147.6-128.3 -33.8 -13.2 -6.6 58.9 81 81 A G S S+ 0 0 20 -4,-0.5 -3,-0.1 1,-0.1 -4,-0.0 0.596 82.3 82.5 71.4 10.8 -10.0 -8.3 59.9 82 82 A D S S- 0 0 84 -7,-0.0 103,-0.1 81,-0.0 -1,-0.1 0.411 111.9 -95.3-122.2 -5.4 -10.3 -10.7 56.9 83 83 A G S S+ 0 0 0 101,-0.1 103,-0.1 -6,-0.1 -8,-0.0 0.432 106.5 91.7 103.7 0.1 -8.9 -8.5 54.1 84 84 A T S S+ 0 0 80 100,-0.1 2,-0.1 101,-0.1 100,-0.1 0.354 83.1 53.0-106.0 3.4 -12.2 -7.2 52.8 85 85 A G + 0 0 16 2,-0.0 37,-0.3 100,-0.0 36,-0.3 -0.232 51.7 110.0-118.0-153.6 -12.2 -4.0 54.9 86 86 A G - 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