==== 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 07-JAN-94 2RMB . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.KE,D.MAYROSE . 1760 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1110 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 491 27.9 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 . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 8 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 . 162 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 10 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 . 33 0 32 18 0 0 11 9 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 1 4 0 0 0 1 9 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 88 0, 0.0 2,-0.1 0, 0.0 295,-0.1 0.000 360.0 360.0 360.0-119.1 51.6 22.2 48.5 2 2 A V - 0 0 114 163,-0.1 24,-0.0 1,-0.0 163,-0.0 -0.513 360.0-105.9 -86.3 163.2 53.3 21.9 52.0 3 3 A N - 0 0 20 -2,-0.1 22,-0.1 23,-0.1 -1,-0.0 -0.811 38.3-126.8 -88.5 126.0 50.9 21.6 54.9 4 4 A P - 0 0 17 0, 0.0 20,-2.3 0, 0.0 2,-0.4 -0.263 15.0-148.9 -66.8 158.1 50.8 24.9 56.9 5 5 A T E -A 23 0A 2 18,-0.2 159,-2.7 32,-0.0 160,-0.8 -0.994 14.1-172.6-132.0 124.1 51.5 25.2 60.7 6 6 A V E -AB 22 163A 0 16,-1.8 16,-2.8 -2,-0.4 2,-0.3 -0.756 8.6-146.7-113.8 160.9 49.8 27.8 62.8 7 7 A F E -AB 21 162A 23 155,-2.4 155,-1.4 -2,-0.3 2,-0.4 -0.942 5.6-161.9-127.3 157.1 50.4 28.7 66.5 8 8 A F E -AB 20 161A 0 12,-2.4 12,-2.5 -2,-0.3 2,-0.6 -0.996 11.1-149.8-131.5 129.3 48.2 30.0 69.3 9 9 A D E -AB 19 160A 38 151,-2.7 150,-2.4 -2,-0.4 151,-1.0 -0.936 21.7-150.0-101.3 121.0 49.6 31.6 72.4 10 10 A I E -AB 18 158A 4 8,-3.1 7,-3.1 -2,-0.6 8,-1.4 -0.730 14.5-172.6 -94.7 140.1 47.2 30.8 75.2 11 11 A A E -AB 16 157A 8 146,-2.1 146,-2.8 -2,-0.4 2,-0.7 -1.000 18.8-142.7-133.9 128.6 46.7 33.2 78.2 12 12 A V E > S-AB 15 156A 14 3,-2.5 3,-2.2 -2,-0.4 2,-1.3 -0.880 83.5 -38.6 -93.7 118.2 44.6 32.3 81.2 13 13 A D T 3 S- 0 0 77 142,-2.7 -2,-0.1 -2,-0.7 141,-0.0 -0.493 128.6 -35.8 57.5 -88.8 42.9 35.5 82.1 14 14 A G T 3 S+ 0 0 51 -2,-1.3 -1,-0.3 2,-0.1 142,-0.0 0.486 114.4 105.9-131.4 -12.1 46.0 37.5 81.3 15 15 A E E < S-A 12 0A 136 -3,-2.2 -3,-2.5 1,-0.1 2,-0.2 -0.534 77.4-113.1 -76.1 128.0 48.9 35.3 82.4 16 16 A P E +A 11 0A 120 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.451 34.6 178.3 -54.6 120.4 50.8 33.5 79.5 17 17 A L E - 0 0 52 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.798 47.3 -90.4 -95.5 -41.0 50.1 29.8 79.7 18 18 A G E -A 10 0A 24 -8,-1.4 -8,-3.1 2,-0.0 2,-0.3 -0.883 40.6 -66.9 151.1 178.8 52.1 28.7 76.6 19 19 A R E -A 9 0A 106 -2,-0.3 2,-0.4 -10,-0.2 119,-0.2 -0.773 26.5-166.7-106.0 142.8 52.0 28.0 72.9 20 20 A V E -A 8 0A 1 -12,-2.5 -12,-2.4 -2,-0.3 2,-0.4 -0.992 11.7-164.9-120.9 130.6 50.1 25.3 71.0 21 21 A S E -AC 7 134A 2 113,-2.3 112,-3.0 -2,-0.4 113,-1.1 -0.923 6.5-161.4-114.9 149.7 51.2 24.8 67.3 22 22 A F E -AC 6 132A 0 -16,-2.8 -16,-1.8 -2,-0.4 2,-0.5 -0.974 17.6-139.3-134.5 143.1 49.1 22.8 64.8 23 23 A E E -AC 5 131A 61 108,-2.9 108,-2.2 -2,-0.4 2,-0.5 -0.858 22.2-151.4 -94.2 134.7 49.6 21.1 61.5 24 24 A L E - C 0 130A 0 -20,-2.3 2,-2.0 -2,-0.5 106,-0.3 -0.927 15.2-129.8-109.2 131.8 46.7 21.7 59.1 25 25 A F >> + 0 0 37 104,-2.8 4,-2.8 -2,-0.5 3,-1.9 -0.448 41.1 160.1 -88.0 73.7 46.0 19.0 56.6 26 26 A A T 34 S+ 0 0 16 -2,-2.0 -1,-0.2 1,-0.3 8,-0.1 0.718 70.9 66.9 -65.3 -19.8 45.8 21.1 53.5 27 27 A D T 34 S+ 0 0 54 -3,-0.2 271,-0.3 2,-0.2 -1,-0.3 0.415 115.0 24.4 -80.8 -1.9 46.6 17.8 51.6 28 28 A K T <4 S+ 0 0 41 -3,-1.9 -2,-0.2 101,-0.1 61,-0.1 0.543 140.2 19.7-125.3 -45.5 43.2 16.3 52.6 29 29 A V X + 0 0 0 -4,-2.8 4,-2.7 100,-0.2 5,-0.2 -0.613 67.2 166.1-128.9 73.0 40.9 19.3 53.3 30 30 A P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.852 75.9 47.2 -58.4 -38.7 42.5 22.3 51.6 31 31 A K H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.949 115.2 44.8 -74.2 -45.4 39.5 24.7 51.8 32 32 A T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.939 115.5 48.3 -62.6 -44.3 38.8 24.0 55.6 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -8,-0.2 -1,-0.2 0.898 109.8 51.7 -67.5 -34.2 42.5 24.3 56.4 34 34 A E H X S+ 0 0 31 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.920 107.4 54.7 -69.1 -36.7 42.9 27.6 54.4 35 35 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.978 112.5 41.2 -54.7 -53.8 39.9 29.0 56.4 36 36 A F H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.894 114.8 52.1 -64.3 -40.8 41.5 28.3 59.7 37 37 A R H X S+ 0 0 25 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.906 111.5 46.0 -65.5 -40.8 45.0 29.4 58.5 38 38 A A H X>S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 5,-0.6 0.894 110.9 51.6 -70.6 -37.1 43.7 32.8 57.3 39 39 A L H <5S+ 0 0 2 -4,-2.4 9,-1.7 -5,-0.3 10,-0.4 0.781 109.0 53.7 -70.7 -24.4 41.7 33.4 60.5 40 40 A S H <5S+ 0 0 2 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.739 113.6 39.8 -79.1 -26.2 44.9 32.7 62.5 41 41 A T H <5S- 0 0 53 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.719 97.5-138.5 -89.7 -24.8 46.9 35.3 60.5 42 42 A G T ><5 + 0 0 28 -4,-1.9 3,-2.3 4,-0.2 -3,-0.2 0.561 55.8 142.4 77.4 11.5 44.1 37.8 60.5 43 43 A E T 3 < + 0 0 101 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.705 64.3 55.9 -59.7 -25.5 45.1 38.5 56.9 44 44 A K T 3 S- 0 0 84 -6,-0.5 -1,-0.3 2,-0.4 3,-0.1 0.229 128.6 -95.4 -92.2 14.7 41.5 38.9 55.7 45 45 A G S < S+ 0 0 71 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.388 99.4 53.6 93.7 -4.6 41.0 41.6 58.3 46 46 A F + 0 0 65 -8,-0.1 -2,-0.4 -4,-0.0 2,-0.3 -0.961 59.1 112.6-152.7 165.8 39.5 39.5 61.1 47 47 A G - 0 0 17 -2,-0.3 -7,-0.2 2,-0.2 4,-0.1 -0.994 66.2 -36.6 161.3-162.2 40.2 36.3 63.1 48 48 A Y S > S+ 0 0 0 -9,-1.7 3,-2.0 -2,-0.3 110,-0.3 0.577 78.6 116.9 -76.2 -17.4 41.0 34.5 66.2 49 49 A K T 3 S+ 0 0 118 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.389 89.8 11.0 -58.6 118.6 43.5 36.9 67.9 50 50 A G T 3 S+ 0 0 39 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.111 99.8 120.1 104.0 -17.0 41.7 38.0 71.2 51 51 A S < - 0 0 3 -3,-2.0 107,-2.2 107,-0.2 -1,-0.3 -0.049 52.1-129.9 -76.1 177.2 38.9 35.4 71.2 52 52 A C B -D 157 0A 16 14,-0.4 2,-0.9 105,-0.2 13,-0.6 -0.848 17.4-111.0-127.8 163.7 38.3 32.8 73.9 53 53 A F E -E 64 0A 2 103,-1.9 103,-0.5 -2,-0.3 11,-0.3 -0.875 37.4-175.5 -91.0 107.4 37.7 29.2 74.3 54 54 A H E + 0 0 37 -2,-0.9 2,-0.3 9,-0.8 98,-0.2 0.484 63.3 35.4 -88.6 -7.6 34.1 29.3 75.4 55 55 A R E +E 63 0A 22 8,-1.3 8,-3.2 96,-0.1 2,-0.4 -0.906 60.1 171.4-152.1 113.5 33.4 25.7 76.2 56 56 A I E -E 62 0A 0 94,-2.1 91,-1.8 -2,-0.3 94,-0.3 -0.990 6.3-176.4-129.6 121.0 35.9 23.3 77.7 57 57 A I E >> -E 61 0A 4 4,-2.6 4,-1.7 -2,-0.4 3,-1.6 -0.977 30.4-124.0-120.0 113.8 34.8 19.8 78.9 58 58 A P T 34 S+ 0 0 44 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.261 94.7 18.7 -59.3 139.4 37.7 17.9 80.5 59 59 A G T 34 S+ 0 0 21 1,-0.1 56,-0.0 654,-0.1 84,-0.0 0.613 128.4 53.8 72.2 10.8 38.3 14.5 78.9 60 60 A F T <4 S- 0 0 2 -3,-1.6 56,-2.4 1,-0.1 57,-0.8 0.453 105.0 -57.5-134.3 -72.5 36.5 15.6 75.8 61 61 A M E < -EF 57 115A 0 -4,-1.7 -4,-2.6 54,-0.3 2,-0.4 -0.983 28.0-115.4-173.7 166.6 37.6 18.8 74.0 62 62 A C E -EF 56 114A 0 52,-2.1 52,-2.2 -2,-0.3 2,-0.4 -0.982 32.8-158.9-115.3 122.9 38.2 22.6 74.1 63 63 A Q E +EF 55 113A 1 -8,-3.2 -8,-1.3 -2,-0.4 -9,-0.8 -0.877 27.4 130.5-110.9 136.0 35.9 24.7 71.8 64 64 A G E +EF 53 112A 1 48,-2.0 48,-2.1 -2,-0.4 -11,-0.2 -0.775 18.4 106.8-155.6-163.7 36.6 28.2 70.5 65 65 A G + 0 0 0 -13,-0.6 2,-1.6 46,-0.3 11,-0.3 0.426 45.6 126.8 96.4 -1.7 36.7 30.3 67.4 66 66 A D + 0 0 1 -14,-0.5 4,-0.4 1,-0.2 -14,-0.4 -0.680 22.6 161.1 -89.0 90.4 33.6 32.4 68.0 67 67 A F + 0 0 28 -2,-1.6 -1,-0.2 1,-0.1 -20,-0.1 0.480 66.6 51.0 -88.2 2.0 35.2 35.7 67.6 68 68 A T S S+ 0 0 40 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.861 127.4 11.4-105.9 -44.8 31.9 37.6 67.1 69 69 A R S S- 0 0 163 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.505 84.4-147.6-107.6 -10.8 29.4 36.6 69.9 70 70 A H S S+ 0 0 91 -4,-0.4 -4,-0.1 1,-0.1 -3,-0.1 0.523 80.5 75.7 59.1 12.7 32.1 34.9 72.0 71 71 A N S S- 0 0 73 -7,-0.0 -1,-0.1 -18,-0.0 102,-0.1 0.411 115.7 -83.6-133.6 -3.8 29.6 32.4 73.4 72 72 A G S S+ 0 0 0 100,-0.1 39,-0.1 -6,-0.1 -2,-0.0 0.364 107.1 91.3 115.4 -3.6 28.9 29.8 70.7 73 73 A T S S+ 0 0 31 99,-0.1 992,-0.5 -7,-0.1 2,-0.1 0.440 87.0 35.8-103.2 2.2 26.3 31.6 68.5 74 74 A G + 0 0 11 990,-0.1 36,-0.3 2,-0.0 37,-0.2 -0.342 49.0 116.8-129.4-150.0 28.6 33.3 66.1 75 75 A G - 0 0 16 -9,-0.1 2,-0.3 -2,-0.1 -9,-0.1 -0.201 38.0-146.1 98.2 168.2 31.8 33.2 64.1 76 76 A K - 0 0 84 -11,-0.3 5,-0.2 -2,-0.1 33,-0.2 -0.973 10.4-118.4-161.1 155.9 32.1 33.3 60.2 77 77 A S B > -I 80 0B 3 3,-2.2 3,-0.8 -2,-0.3 33,-0.1 -0.503 29.4-111.5 -95.1 173.8 34.4 31.9 57.5 78 78 A I T 3 S+ 0 0 37 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.650 119.7 54.6 -73.3 -11.0 36.6 33.7 55.0 79 79 A Y T 3 S- 0 0 18 1,-0.3 1070,-2.1 30,-0.1 1071,-0.3 0.555 123.1 -82.7 -98.4 -9.4 34.2 32.4 52.4 80 80 A G B < S-IJ 771148B 16 -3,-0.8 -3,-2.2 1068,-0.2 -1,-0.3 -0.943 74.0 -26.1 142.2-164.0 31.0 33.8 54.0 81 81 A E S S- 0 0 39 1066,-1.9 2,-0.3 -2,-0.3 -1,-0.1 0.874 122.6 -17.2 -49.0 -47.6 28.4 33.0 56.7 82 82 A K - 0 0 55 1065,-0.3 2,-0.3 -6,-0.1 27,-0.2 -0.896 65.8-150.5-152.3 166.4 28.9 29.3 56.4 83 83 A F B -L 108 0C 8 25,-1.4 25,-2.3 -2,-0.3 3,-0.1 -0.980 29.1 -80.0-150.9 161.8 30.5 26.8 54.0 84 84 A E - 0 0 58 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.045 42.9-102.7 -54.1 149.2 30.2 23.3 52.9 85 85 A D - 0 0 26 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.727 36.8-155.4 -76.6 111.1 31.5 20.1 54.7 86 86 A E - 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