==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JAN-05 2BIU . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HENNIG,R.THOMA,M.STIHLE,D.SCHLATTER . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.5 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 . 49 29.9 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 . 1 0.6 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 . 1 0.6 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 . 14 8.5 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 . 21 12.8 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 0 0 1 0 0 1 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 . 2 0 2 3 0 0 1 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 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 2 X G 0 0 131 0, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.6 20.6 13.8 42.2 2 3 X N - 0 0 35 1,-0.1 22,-0.1 23,-0.0 2,-0.0 -0.548 360.0 -99.4 -77.9 144.4 18.7 14.2 38.9 3 4 X P - 0 0 17 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.324 26.2-151.5 -62.8 144.4 18.1 11.1 36.8 4 5 X L E +A 22 0A 46 18,-0.2 159,-2.5 128,-0.0 160,-1.6 -0.989 21.6 178.9-110.4 127.2 20.3 10.3 33.8 5 6 X V E -AB 21 162A 0 16,-2.4 16,-2.7 -2,-0.5 2,-0.3 -0.825 12.3-144.6-123.0 164.5 18.5 8.3 31.1 6 7 X Y E -AB 20 161A 48 155,-2.3 155,-1.5 -2,-0.3 2,-0.4 -0.963 9.6-162.3-132.8 150.5 19.6 7.0 27.7 7 8 X L E -AB 19 160A 0 12,-2.4 12,-3.0 -2,-0.3 2,-0.5 -0.994 10.5-157.0-126.0 123.1 18.2 6.5 24.2 8 9 X D E -AB 18 159A 31 151,-3.2 150,-2.0 -2,-0.4 151,-1.2 -0.904 21.6-159.3 -97.5 125.0 20.0 4.1 21.8 9 10 X V E -AB 17 157A 2 8,-2.2 7,-3.2 -2,-0.5 8,-0.9 -0.907 14.2-166.3-119.9 131.4 19.1 5.1 18.3 10 11 X D E -AB 15 156A 29 146,-2.9 146,-1.7 -2,-0.4 2,-0.4 -0.775 7.6-156.3-100.1 154.0 19.2 3.2 15.0 11 12 X A E > S-AB 14 155A 6 3,-2.6 3,-1.6 -2,-0.3 144,-0.2 -0.980 85.1 -15.2-127.4 121.2 18.8 4.7 11.5 12 13 X N T 3 S- 0 0 93 142,-2.1 143,-0.1 -2,-0.4 -1,-0.1 0.882 130.9 -54.0 52.1 40.6 17.6 2.1 8.9 13 14 X G T 3 S+ 0 0 48 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.485 116.3 108.6 77.9 4.4 18.5 -0.6 11.4 14 15 X K E < S-A 11 0A 156 -3,-1.6 -3,-2.6 2,-0.0 -1,-0.2 -0.942 74.8-105.3-114.6 138.4 22.1 0.4 12.0 15 16 X P E -A 10 0A 103 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.335 28.3-178.4 -69.4 133.0 23.2 1.9 15.3 16 17 X L E - 0 0 39 -7,-3.2 2,-0.3 1,-0.4 -6,-0.2 0.647 50.4-111.1 -92.7 -25.8 23.9 5.7 15.5 17 18 X G E -A 9 0A 32 -8,-0.9 -8,-2.2 120,-0.1 2,-0.4 -0.882 43.8 -41.3 125.6-159.2 25.0 5.6 19.2 18 19 X R E -A 8 0A 92 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.919 30.0-157.8-120.6 131.6 23.6 6.8 22.5 19 20 X V E -A 7 0A 0 -12,-3.0 -12,-2.4 -2,-0.4 2,-0.5 -0.944 15.6-161.0 -99.5 123.0 21.9 10.0 23.6 20 21 X V E -AC 6 133A 5 113,-2.9 112,-2.8 -2,-0.5 113,-1.3 -0.924 9.2-166.0-105.3 131.9 22.3 10.6 27.4 21 22 X L E -AC 5 131A 0 -16,-2.7 -16,-2.4 -2,-0.5 2,-0.5 -0.949 17.2-144.1-122.3 134.0 19.8 13.0 28.9 22 23 X E E -AC 4 130A 36 108,-2.6 108,-1.6 -2,-0.4 2,-0.6 -0.862 18.8-148.2 -88.4 128.1 19.8 14.7 32.3 23 24 X L E - C 0 129A 0 -20,-2.6 2,-2.4 -2,-0.5 106,-0.3 -0.889 11.3-136.3 -98.7 123.0 16.2 15.1 33.6 24 25 X K >> + 0 0 46 104,-2.7 4,-3.1 -2,-0.6 3,-1.2 -0.424 41.3 157.4 -82.9 67.5 15.8 18.3 35.7 25 26 X A T 34 + 0 0 30 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.722 68.3 66.7 -60.8 -25.2 13.7 16.6 38.4 26 27 X D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.801 116.4 24.6 -65.4 -29.4 14.8 19.5 40.7 27 28 X V T <4 S+ 0 0 39 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.1 0.789 140.7 20.4-103.3 -42.6 12.9 22.0 38.7 28 29 X V X + 0 0 0 -4,-3.1 4,-2.9 100,-0.1 5,-0.2 -0.610 66.0 164.7-131.3 70.4 10.2 19.8 37.0 29 30 X P H > S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.854 76.8 49.5 -61.3 -36.4 9.8 16.6 39.0 30 31 X K H > S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.895 115.6 42.9 -71.8 -37.8 6.4 15.5 37.5 31 32 X T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 115.5 49.0 -73.2 -43.5 7.6 16.0 34.0 32 33 X A H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.917 109.8 52.4 -60.5 -43.4 11.0 14.4 34.7 33 34 X E H X S+ 0 0 65 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.895 106.7 53.1 -63.1 -41.1 9.3 11.4 36.4 34 35 X N H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.954 113.6 42.1 -55.9 -52.4 7.0 10.8 33.3 35 36 X F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.921 113.0 53.6 -63.4 -43.4 10.0 10.7 30.9 36 37 X R H X S+ 0 0 27 -4,-2.8 4,-1.8 1,-0.2 3,-0.3 0.939 111.3 44.8 -57.6 -48.5 12.1 8.6 33.3 37 38 X A H X>S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 5,-0.7 0.821 110.2 54.5 -69.6 -30.2 9.4 5.9 33.7 38 39 X L H <5S+ 0 0 1 -4,-1.8 9,-1.9 -5,-0.2 10,-0.5 0.819 107.2 53.0 -72.3 -28.2 8.7 5.9 29.9 39 40 X C H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -3,-0.3 121,-0.2 0.902 114.8 38.7 -69.5 -42.9 12.5 5.2 29.4 40 41 X T H <5S- 0 0 51 -4,-1.8 -2,-0.2 121,-0.2 -1,-0.2 0.767 96.9-139.9 -78.0 -27.0 12.5 2.2 31.7 41 42 X G T ><5 + 0 0 28 -4,-1.9 3,-2.3 -5,-0.2 -3,-0.2 0.606 51.6 146.4 77.0 14.1 9.1 1.0 30.6 42 43 X E T 3 < + 0 0 103 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.695 64.1 57.3 -62.4 -20.4 8.3 0.1 34.2 43 44 X K T 3 S- 0 0 108 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.516 125.6 -96.7 -86.3 -5.1 4.6 0.9 33.8 44 45 X G S < S+ 0 0 72 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.467 100.7 55.5 102.8 6.4 4.2 -1.6 31.0 45 46 X F + 0 0 60 -8,-0.2 -2,-0.5 -4,-0.1 -1,-0.3 -0.963 58.9 110.6-157.3 164.3 4.6 0.9 28.1 46 47 X G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.992 69.9 -38.2 155.7-159.1 7.1 3.5 26.9 47 48 X Y S > S+ 0 0 0 -9,-1.9 3,-2.4 -2,-0.3 110,-0.2 0.623 80.0 117.7 -80.3 -17.9 9.7 4.5 24.3 48 49 X K T 3 S+ 0 0 135 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.306 89.0 8.9 -58.2 128.0 11.4 1.3 23.6 49 50 X G T 3 S+ 0 0 47 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.305 104.0 118.0 87.7 -8.5 10.9 0.4 19.9 50 51 X S < - 0 0 2 -3,-2.4 107,-3.2 107,-0.3 -1,-0.3 -0.189 53.2-122.6 -88.4-179.0 9.3 3.8 19.0 51 52 X T B -D 156 0A 8 14,-0.3 2,-0.8 105,-0.2 13,-0.8 -0.763 17.5-115.2-125.7 161.7 10.6 6.4 16.5 52 53 X F E +E 63 0A 2 103,-2.2 103,-0.5 -2,-0.3 11,-0.3 -0.916 43.2 174.4 -86.8 106.8 11.7 9.9 15.9 53 54 X H E + 0 0 32 -2,-0.8 2,-0.4 9,-0.6 98,-0.3 0.585 60.0 39.9 -96.0 -15.1 8.8 10.7 13.5 54 55 X R E +E 62 0A 96 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.935 63.0 166.0-143.0 113.3 9.3 14.4 12.9 55 56 X V E -E 61 0A 0 94,-2.1 91,-2.1 -2,-0.4 94,-0.3 -0.991 10.6-173.1-135.7 123.1 12.8 15.9 12.4 56 57 X I E >> -E 60 0A 26 4,-2.5 3,-1.4 -2,-0.4 4,-1.2 -0.963 27.6-122.2-122.2 114.3 13.5 19.3 11.0 57 58 X P T 34 S+ 0 0 54 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.251 97.1 15.4 -56.9 140.3 17.1 20.4 10.2 58 59 X S T 34 S+ 0 0 86 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.733 129.2 56.0 62.9 27.2 18.2 23.5 12.1 59 60 X F T <4 S- 0 0 37 -3,-1.4 56,-2.5 54,-0.1 57,-0.9 0.264 102.9 -55.2-140.0 -79.3 15.2 23.2 14.4 60 61 X M E < -EF 56 114A 1 -4,-1.2 -4,-2.5 54,-0.3 2,-0.5 -0.989 29.1-117.1-168.2 164.5 14.7 20.0 16.4 61 62 X C E -EF 55 113A 1 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.986 33.3-159.2-117.4 123.5 14.2 16.2 16.5 62 63 X Q E +EF 54 112A 17 -8,-3.1 -8,-1.4 -2,-0.5 -9,-0.6 -0.840 22.7 142.9-112.2 139.5 10.8 15.0 17.8 63 64 X A E +EF 52 111A 0 48,-2.7 48,-2.1 -2,-0.4 -11,-0.2 -0.768 24.4 96.9-148.5-172.4 9.9 11.6 19.2 64 65 X G + 0 0 0 -13,-0.8 2,-1.6 46,-0.3 11,-0.3 0.369 42.7 125.3 103.9 -5.3 7.7 9.9 21.8 65 66 X D > + 0 0 1 -14,-0.4 4,-1.2 1,-0.2 -14,-0.3 -0.657 25.2 161.6 -86.2 83.2 4.6 8.9 20.0 66 67 X F T 4 + 0 0 26 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.472 68.5 49.2 -86.5 -1.5 4.8 5.2 21.0 67 68 X T T 4 S+ 0 0 61 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.832 129.4 11.3 -99.5 -42.3 1.1 4.5 20.2 68 69 X N T 4 S- 0 0 81 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.500 80.7-144.0-117.2 -12.8 0.6 5.9 16.7 69 70 X H S < S+ 0 0 84 -4,-1.2 -3,-0.1 1,-0.1 -17,-0.0 0.714 81.5 78.5 58.2 26.4 4.2 6.7 15.6 70 71 X N S S- 0 0 95 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.429 111.3 -88.1-145.7 0.7 3.0 9.8 13.7 71 72 X G S S+ 0 0 31 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.255 109.0 87.1 104.8 -11.6 2.5 12.7 16.1 72 73 X T S S+ 0 0 103 -7,-0.1 2,-0.1 -4,-0.0 -3,-0.0 0.586 86.9 45.5 -93.1 -11.2 -1.2 12.0 17.0 73 74 X G + 0 0 16 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.077 51.4 104.5-118.9-151.3 -0.6 9.6 19.8 74 75 X G - 0 0 20 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.139 38.2-145.4 90.0 165.2 1.3 8.9 23.0 75 76 X K - 0 0 82 -11,-0.3 5,-0.2 -2,-0.1 2,-0.2 -0.964 11.9-117.7-161.7 158.8 0.3 9.0 26.7 76 77 X S - 0 0 2 3,-2.0 3,-0.4 -2,-0.3 33,-0.1 -0.478 30.6-109.4 -97.1 170.5 1.8 9.9 30.1 77 78 X I S S+ 0 0 35 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.673 119.5 52.3 -69.3 -15.6 2.3 7.7 33.2 78 79 X Y S S- 0 0 111 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.684 128.6 -65.9 -91.6 -21.9 -0.5 9.8 34.8 79 80 X G S S- 0 0 37 -3,-0.4 -3,-2.0 1,-0.1 -1,-0.4 -0.927 77.7 -47.0 151.7-168.8 -3.2 9.4 32.2 80 81 X S S S+ 0 0 89 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.859 121.0 7.2 -66.5 -35.4 -3.5 10.6 28.6 81 82 X R - 0 0 148 -6,-0.1 27,-0.2 27,-0.1 -1,-0.1 -0.975 62.0-165.3-143.2 153.3 -2.4 14.2 29.3 82 83 X F B -I 107 0B 14 25,-1.9 25,-1.5 -2,-0.3 3,-0.1 -0.957 32.0 -90.1-138.8 157.4 -0.9 16.2 32.2 83 84 X P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.139 44.3 -92.7 -63.3 159.0 -0.5 20.0 32.9 84 85 X D - 0 0 23 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.644 37.4-156.8 -64.8 115.9 2.4 22.3 32.1 85 86 X E - 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