==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 12-JAN-10 2X2C . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LAMMERS,H.NEUMANN,J.W.CHIN,L.C.JAMES . 880 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 27.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 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 . 73 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 4 1 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 15 0 16 9 0 0 5 5 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 5 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 B X 0 0 80 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-142.9 36.4 -0.6 -55.8 2 2 B X + 0 0 186 9,-0.3 2,-0.2 2,-0.0 9,-0.1 -0.608 360.0 142.2-119.6 74.4 33.1 -2.2 -56.7 3 3 B X - 0 0 87 7,-0.6 2,-0.5 -2,-0.3 6,-0.0 -0.703 45.7-142.1-107.6 162.0 31.3 -3.2 -53.5 4 4 B X + 0 0 151 -2,-0.2 2,-0.2 5,-0.0 5,-0.0 -0.772 42.2 156.2-120.3 66.4 27.6 -3.0 -52.7 5 5 B X - 0 0 100 -2,-0.5 2,-0.4 5,-0.1 4,-0.1 -0.532 42.8-130.4 -91.2-177.6 27.6 -1.8 -48.9 6 6 B X S S- 0 0 96 2,-0.2 2,-0.2 -2,-0.2 3,-0.0 -0.760 87.2 -10.6-126.2 79.6 25.0 -0.0 -46.8 7 7 B X S S+ 0 0 25 -2,-0.4 2,-0.9 190,-0.1 190,-0.1 -0.491 124.5 56.5 132.3 -67.3 26.7 2.9 -45.0 8 8 B X S S- 0 0 21 -2,-0.2 2,-0.5 119,-0.1 -2,-0.2 -0.870 73.0-162.7 -93.2 99.1 30.5 2.8 -45.4 9 9 B V - 0 0 91 -2,-0.9 2,-0.3 88,-0.4 -5,-0.0 -0.717 12.7-157.5 -77.3 130.0 30.9 2.7 -49.1 10 10 B X 0 0 22 -2,-0.5 -7,-0.6 1,-0.1 -5,-0.1 -0.756 360.0 360.0-109.9 162.4 34.4 1.5 -49.9 11 11 B A 0 0 62 -2,-0.3 -9,-0.3 -9,-0.1 -1,-0.1 -0.147 360.0 360.0 -48.2 360.0 36.7 1.8 -52.8 12 !* 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 13 1 F X 0 0 79 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.7 23.3 -48.4 -33.6 14 2 F X + 0 0 188 9,-0.4 2,-0.2 2,-0.0 9,-0.1 -0.639 360.0 142.9-123.3 77.1 25.9 -50.1 -35.9 15 3 F X - 0 0 89 7,-0.5 2,-0.4 -2,-0.3 6,-0.0 -0.704 46.1-143.4-109.0 163.0 29.3 -49.4 -34.6 16 4 F X + 0 0 146 -2,-0.2 2,-0.1 2,-0.0 5,-0.0 -0.735 43.0 157.7-116.1 62.4 32.4 -51.5 -34.4 17 5 F X - 0 0 94 -2,-0.4 2,-0.5 5,-0.1 4,-0.1 -0.570 41.4-133.7 -93.6 175.1 34.0 -50.4 -31.0 18 6 F X S S- 0 0 92 -2,-0.1 2,-0.2 2,-0.1 -2,-0.0 -0.816 86.6 -7.8-119.9 85.3 36.5 -52.1 -28.6 19 7 F X S S+ 0 0 28 -2,-0.5 2,-1.0 522,-0.1 522,-0.1 -0.495 125.9 51.9 132.5 -71.0 35.1 -51.7 -25.1 20 8 F X S S- 0 0 24 -2,-0.2 2,-0.4 451,-0.1 -2,-0.1 -0.846 72.3-161.6-101.6 94.0 32.1 -49.4 -24.9 21 9 F V - 0 0 93 -2,-1.0 2,-0.2 420,-0.3 -5,-0.0 -0.688 14.5-158.5 -74.6 125.4 29.9 -50.9 -27.5 22 10 F X 0 0 21 -2,-0.4 -7,-0.5 1,-0.1 -5,-0.1 -0.584 360.0 360.0-106.0 173.6 27.3 -48.1 -28.3 23 11 F A 0 0 67 -2,-0.2 -9,-0.4 -9,-0.1 -1,-0.1 -0.279 360.0 360.0 -73.1 360.0 23.9 -48.3 -29.8 24 !* 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 25 1 K M 0 0 96 0, 0.0 2,-0.7 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 172.1 58.0 8.2 -25.7 26 2 K V - 0 0 135 24,-0.1 24,-0.0 1,-0.0 0, 0.0 -0.769 360.0-124.7 -80.7 110.0 56.4 11.6 -24.4 27 3 K N - 0 0 14 -2,-0.7 22,-0.1 1,-0.1 162,-0.1 -0.246 20.9-114.0 -66.6 141.0 52.9 11.3 -25.7 28 4 K P - 0 0 16 0, 0.0 20,-2.0 0, 0.0 2,-0.4 -0.271 21.9-149.1 -68.5 164.5 51.4 14.0 -27.9 29 5 K T E -A 47 0A 2 18,-0.2 159,-2.7 32,-0.0 160,-0.6 -1.000 12.2-172.2-138.1 123.7 48.6 16.4 -26.9 30 6 K V E -AB 46 187A 0 16,-1.7 16,-2.4 -2,-0.4 2,-0.4 -0.789 9.8-145.4-115.3 162.3 46.1 17.9 -29.2 31 7 K F E -AB 45 186A 21 155,-2.1 155,-1.4 -2,-0.3 2,-0.4 -0.976 5.1-160.8-125.2 141.6 43.4 20.5 -28.7 32 8 K F E -AB 44 185A 0 12,-3.0 12,-2.8 -2,-0.4 2,-0.7 -0.993 8.8-154.2-108.6 128.8 40.0 21.0 -30.0 33 9 K D E -AB 43 184A 33 151,-2.9 150,-2.5 -2,-0.4 151,-1.0 -0.915 24.1-150.7 -93.1 111.1 38.4 24.5 -29.8 34 10 K I E -AB 42 182A 3 8,-3.1 7,-1.8 -2,-0.7 8,-1.0 -0.460 13.6-168.7 -85.7 156.3 34.6 23.7 -29.8 35 11 K A E -AB 40 181A 4 146,-1.5 146,-2.4 5,-0.3 2,-0.5 -0.989 13.3-147.8-144.9 140.9 31.9 26.0 -31.1 36 12 K V E > S-AB 39 180A 19 3,-1.8 3,-1.7 -2,-0.3 144,-0.2 -0.934 84.3 -28.8-119.0 109.5 28.1 25.9 -30.8 37 13 K D T 3 S- 0 0 93 142,-2.1 -1,-0.2 -2,-0.5 143,-0.1 0.865 132.1 -43.8 46.6 39.3 26.2 27.4 -33.9 38 14 K G T 3 S+ 0 0 59 141,-0.4 -1,-0.3 1,-0.2 142,-0.0 0.093 113.6 116.5 101.4 -22.7 29.4 29.6 -34.3 39 15 K E E < S-A 36 0A 149 -3,-1.7 -3,-1.8 1,-0.1 -1,-0.2 -0.689 72.9-111.9 -92.1 118.0 30.0 30.7 -30.7 40 16 K P E +A 35 0A 110 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.139 37.1 174.7 -40.7 117.6 33.2 29.6 -29.0 41 17 K L E - 0 0 57 -7,-1.8 2,-0.3 1,-0.3 -6,-0.2 0.811 50.5 -85.6 -93.1 -46.9 32.1 27.1 -26.2 42 18 K G E -A 34 0A 23 -8,-1.0 -8,-3.1 2,-0.0 2,-0.5 -0.948 41.3 -67.5 164.9-171.7 35.7 26.2 -25.0 43 19 K R E -A 33 0A 114 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.921 29.0-170.3-111.4 129.4 38.8 24.1 -25.4 44 20 K V E -A 32 0A 1 -12,-2.8 -12,-3.0 -2,-0.5 2,-0.3 -0.944 10.6-163.5-106.7 133.6 39.1 20.3 -24.9 45 21 K S E -AC 31 158A 6 113,-3.2 112,-2.4 -2,-0.4 113,-0.7 -0.867 3.7-159.1-114.9 159.7 42.6 18.8 -24.9 46 22 K F E -AC 30 156A 0 -16,-2.4 -16,-1.7 -2,-0.3 2,-0.4 -0.998 16.7-137.8-139.2 136.8 43.6 15.1 -25.2 47 23 K E E -AC 29 155A 67 108,-3.3 108,-2.0 -2,-0.4 2,-0.5 -0.758 23.6-148.6 -85.8 139.1 46.5 12.8 -24.4 48 24 K L E - C 0 154A 0 -20,-2.0 2,-2.0 -2,-0.4 106,-0.3 -0.973 12.0-134.0-110.2 127.5 47.1 10.4 -27.3 49 25 K F >> + 0 0 37 104,-3.0 4,-2.6 -2,-0.5 3,-2.5 -0.341 43.1 155.2 -86.1 60.8 48.5 7.1 -26.2 50 26 K A T 34 + 0 0 5 -2,-2.0 -1,-0.2 1,-0.3 -24,-0.1 0.544 68.9 69.7 -61.3 -10.2 51.3 6.7 -28.8 51 27 K D T 34 S+ 0 0 48 2,-0.1 793,-0.5 -3,-0.1 -1,-0.3 0.555 115.4 21.4 -84.0 -11.1 53.0 4.5 -26.3 52 28 K K T <4 S+ 0 0 44 -3,-2.5 -2,-0.2 101,-0.1 61,-0.1 0.640 141.7 20.2-120.1 -40.3 50.3 1.7 -26.8 53 29 K V X + 0 0 0 -4,-2.6 4,-2.6 100,-0.2 3,-0.5 -0.547 68.0 167.9-133.2 67.6 48.8 2.5 -30.2 54 30 K P H > S+ 0 0 25 0, 0.0 4,-1.2 0, 0.0 -4,-0.1 0.714 76.2 46.9 -60.7 -22.0 51.3 4.6 -32.0 55 31 K K H > S+ 0 0 71 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.803 112.6 48.0 -93.5 -32.1 49.7 4.4 -35.4 56 32 K T H > S+ 0 0 0 -3,-0.5 4,-1.7 2,-0.2 5,-0.2 0.889 113.9 47.6 -71.1 -40.6 46.2 5.1 -34.3 57 33 K A H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.906 109.8 53.5 -64.4 -40.6 47.4 8.1 -32.3 58 34 K E H X S+ 0 0 42 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.838 105.4 53.8 -66.7 -36.9 49.5 9.4 -35.2 59 35 K N H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.930 113.5 41.8 -58.2 -51.1 46.4 9.3 -37.5 60 36 K F H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.894 113.7 52.5 -67.8 -40.7 44.4 11.4 -35.1 61 37 K R H X S+ 0 0 20 -4,-2.9 4,-1.4 1,-0.2 3,-0.2 0.932 112.0 46.4 -57.6 -47.0 47.3 13.8 -34.4 62 38 K A H X S+ 0 0 1 -4,-2.3 4,-1.2 1,-0.2 5,-0.5 0.882 110.0 51.9 -67.0 -40.0 47.9 14.3 -38.1 63 39 K L H < S+ 0 0 1 -4,-2.0 9,-2.0 1,-0.2 10,-0.5 0.813 108.0 54.4 -68.0 -24.0 44.2 14.9 -38.7 64 40 K S H < S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.803 110.9 42.7 -80.3 -32.6 44.2 17.5 -35.9 65 41 K T H < S- 0 0 52 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.619 96.4-138.9 -82.4 -19.0 47.1 19.6 -37.4 66 42 K G >< + 0 0 29 -4,-1.2 3,-3.1 -5,-0.2 -3,-0.1 0.436 56.4 141.9 72.6 3.7 45.7 19.4 -41.0 67 43 K E T 3 + 0 0 89 -5,-0.5 -4,-0.1 1,-0.3 4,-0.1 0.546 62.2 54.4 -62.0 -19.4 49.3 18.9 -42.0 68 44 K K T 3 S- 0 0 110 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.384 127.5 -94.4 -90.5 0.0 48.6 16.3 -44.7 69 45 K G S < S+ 0 0 72 -3,-3.1 2,-0.3 1,-0.3 -2,-0.2 0.216 101.8 53.4 113.0 -13.2 46.1 18.7 -46.4 70 46 K F + 0 0 59 -8,-0.1 -2,-0.5 -4,-0.1 -1,-0.3 -0.883 60.8 122.7-146.9 165.5 42.8 17.6 -44.8 71 47 K G - 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0 0 15 -9,-0.2 2,-0.3 35,-0.1 -9,-0.1 0.138 41.3-145.5 75.3 158.4 36.0 10.5 -43.3 100 76 K K - 0 0 91 -11,-0.2 2,-0.2 33,-0.2 5,-0.2 -0.918 11.9-114.6-149.1 169.6 39.3 8.9 -44.3 101 77 K S B > -I 104 0B 3 3,-2.0 3,-1.8 -2,-0.3 33,-0.1 -0.654 27.1-109.2-111.6 165.6 42.7 8.3 -42.6 102 78 K I T 3 S+ 0 0 34 1,-0.3 3,-0.1 31,-0.2 32,-0.0 0.575 120.2 52.4 -67.1 -4.5 46.2 9.5 -43.2 103 79 K Y T 3 S- 0 0 84 1,-0.4 -1,-0.3 30,-0.1 2,-0.3 0.349 124.8 -77.5-112.1 1.2 46.9 5.9 -44.3 104 80 K G B < S-I 101 0B 37 -3,-1.8 -3,-2.0 1,-0.1 -1,-0.4 -0.811 76.7 -35.9 126.5-169.1 44.1 5.5 -46.9 105 81 K E S S- 0 0 82 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.852 123.6 -5.5 -63.6 -30.2 40.4 4.9 -46.9 106 82 K K - 0 0 86 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.994 60.4-158.5-155.1 155.4 40.8 2.6 -43.9 107 83 K F B -J 132 0C 4 25,-2.7 25,-2.0 -2,-0.3 2,-0.1 -0.888 29.9 -90.6-132.3 174.6 43.3 0.9 -41.6 108 84 K E - 0 0 83 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.370 43.3 -93.0 -84.1 153.2 43.4 -2.1 -39.2 109 85 K D - 0 0 24 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.548 36.6-156.7 -63.8 113.9 42.7 -2.4 -35.6 110 86 K E - 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