==== 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 27-APR-07 2POY . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM IOWA II; . AUTHOR A.K.WERNIMONT,J.LEW,T.HILLS,I.KOZIERADZKI,Y.H.LIN,A.HASSANAL . 541 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 27.2 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 . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 3 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 . 41 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 1 0 0 3 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 . 9 1 9 6 0 3 0 3 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 . 1 0 0 0 0 0 0 3 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 18 A G 0 0 133 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.1 -0.2 -0.4 -0.8 2 19 A N - 0 0 37 1,-0.1 22,-0.1 23,-0.0 0, 0.0 -0.396 360.0-109.8 -67.6 132.5 -2.8 -2.7 0.8 3 20 A P - 0 0 31 0, 0.0 20,-2.8 0, 0.0 2,-0.4 -0.326 26.0-149.8 -64.2 152.8 -3.7 -5.8 -1.4 4 21 A V E +A 22 0A 55 18,-0.2 2,-0.3 32,-0.0 18,-0.2 -0.990 20.9 176.0-123.0 125.9 -7.2 -5.8 -3.0 5 22 A V E -A 21 0A 1 16,-2.7 16,-3.3 -2,-0.4 2,-0.3 -0.837 11.2-149.3-125.1 170.0 -8.7 -9.2 -3.5 6 23 A Y E -AB 20 168A 43 162,-2.1 162,-1.7 -2,-0.3 2,-0.4 -0.970 10.9-155.7-140.7 154.6 -12.1 -10.5 -4.8 7 24 A F E -AB 19 167A 0 12,-2.2 12,-3.0 -2,-0.3 2,-0.5 -0.996 14.8-148.4-118.0 132.4 -14.7 -13.3 -4.5 8 25 A D E -AB 18 166A 26 158,-2.7 157,-1.6 -2,-0.4 158,-1.1 -0.876 26.8-153.5 -90.3 133.1 -17.1 -14.0 -7.4 9 26 A I E -AB 17 164A 2 8,-3.0 7,-3.7 -2,-0.5 8,-1.2 -0.918 19.1-169.9-119.0 131.6 -20.2 -15.3 -5.8 10 27 A S E -AB 15 163A 13 153,-2.4 153,-2.9 -2,-0.4 2,-0.6 -0.970 9.7-156.6-111.3 140.7 -23.0 -17.6 -7.0 11 28 A I E > S-AB 14 162A 26 3,-2.7 3,-1.7 -2,-0.4 151,-0.2 -0.978 76.6 -31.6-111.4 115.1 -26.2 -18.0 -5.1 12 29 A G T 3 S- 0 0 29 149,-2.7 151,-0.2 -2,-0.6 148,-0.0 -0.533 127.4 -34.6 65.9-137.9 -27.7 -21.4 -6.1 13 30 A Q T 3 S+ 0 0 186 -2,-0.2 -1,-0.3 -3,-0.1 149,-0.0 0.325 120.5 102.7 -90.9 11.8 -26.6 -21.8 -9.6 14 31 A T E < S-A 11 0A 72 -3,-1.7 -3,-2.7 2,-0.0 -1,-0.0 -0.853 73.5-126.4-108.1 114.6 -26.9 -18.0 -10.3 15 32 A P E -A 10 0A 54 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.346 24.9-175.7 -53.7 128.5 -23.9 -15.6 -10.5 16 33 A A E - 0 0 21 -7,-3.7 2,-0.3 1,-0.4 -6,-0.2 0.660 40.7-103.8 -99.1 -26.3 -24.6 -12.9 -8.0 17 34 A G E -A 9 0A 3 -8,-1.2 -8,-3.0 185,-0.1 -1,-0.4 -0.931 45.4 -50.3 130.5-158.3 -21.6 -10.7 -8.7 18 35 A R E -A 8 0A 28 -2,-0.3 2,-0.5 248,-0.3 -10,-0.2 -0.940 25.6-151.4-129.4 138.3 -18.3 -9.9 -7.1 19 36 A I E -A 7 0A 0 -12,-3.0 -12,-2.2 -2,-0.4 2,-0.5 -0.944 18.9-162.3-104.0 124.8 -17.2 -8.8 -3.6 20 37 A T E -AC 6 140A 6 120,-3.2 119,-3.3 -2,-0.5 120,-1.5 -0.923 11.3-167.7-112.4 132.3 -14.0 -6.8 -3.8 21 38 A M E -AC 5 138A 0 -16,-3.3 -16,-2.7 -2,-0.5 2,-0.4 -0.947 20.5-144.5-131.3 135.5 -12.0 -6.4 -0.5 22 39 A E E -AC 4 137A 43 115,-2.7 115,-2.0 -2,-0.4 2,-0.4 -0.845 19.9-149.7 -89.2 135.9 -9.1 -4.3 0.8 23 40 A L E - C 0 136A 0 -20,-2.8 2,-2.1 -2,-0.4 3,-0.3 -0.911 14.3-132.5-109.0 135.4 -6.8 -6.2 3.2 24 41 A F >> + 0 0 15 111,-3.4 4,-2.8 -2,-0.4 3,-1.1 -0.353 46.5 152.2 -85.4 59.9 -5.1 -4.2 5.9 25 42 A A T 34 + 0 0 27 -2,-2.1 -1,-0.2 1,-0.3 8,-0.1 0.767 64.4 67.9 -61.8 -27.6 -1.6 -5.6 5.3 26 43 A D T 34 S+ 0 0 99 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.881 119.6 17.7 -57.3 -38.0 -0.1 -2.3 6.6 27 44 A K T <4 S+ 0 0 107 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.686 139.5 31.9-106.5 -24.0 -1.3 -3.1 10.2 28 45 A V X + 0 0 0 -4,-2.8 4,-2.9 107,-0.1 5,-0.3 -0.513 68.6 157.6-134.7 60.5 -2.1 -6.8 10.0 29 46 A P H > S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.853 71.7 48.3 -64.9 -38.9 0.4 -8.2 7.5 30 47 A I H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.932 117.5 42.4 -67.0 -42.9 0.5 -11.9 8.6 31 48 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 115.5 48.8 -71.4 -41.7 -3.4 -12.2 8.6 32 49 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.925 110.0 52.2 -64.5 -42.3 -3.8 -10.2 5.4 33 50 A E H X S+ 0 0 59 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.906 107.0 52.8 -64.1 -38.6 -1.1 -12.3 3.6 34 51 A N H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.938 114.1 42.7 -58.8 -43.8 -2.9 -15.6 4.6 35 52 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.928 113.4 51.1 -73.8 -46.0 -6.1 -14.3 3.2 36 53 A R H X S+ 0 0 37 -4,-3.3 4,-2.0 1,-0.2 5,-0.2 0.937 112.6 46.4 -53.7 -50.6 -4.5 -12.9 0.1 37 54 A A H X>S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.6 0.812 109.8 54.0 -65.2 -30.2 -2.7 -16.2 -0.7 38 55 A L H <5S+ 0 0 0 -4,-1.8 16,-2.3 -5,-0.2 17,-0.4 0.828 107.5 52.0 -76.2 -25.8 -5.9 -18.2 -0.0 39 56 A C H <5S+ 0 0 0 -4,-1.9 -2,-0.2 14,-0.2 16,-0.2 0.938 117.1 37.0 -69.3 -44.9 -7.7 -16.0 -2.6 40 57 A T H <5S- 0 0 40 -4,-2.0 -2,-0.2 128,-0.2 -1,-0.2 0.820 94.7-141.3 -77.9 -32.2 -5.1 -16.6 -5.3 41 58 A G T ><5 + 0 0 20 -4,-2.3 3,-1.9 -5,-0.2 11,-0.2 0.584 53.5 142.2 79.8 11.6 -4.5 -20.2 -4.4 42 59 A E T 3 < + 0 0 97 -5,-0.6 3,-0.1 1,-0.3 -4,-0.1 0.648 57.1 65.4 -64.5 -17.8 -0.7 -19.6 -5.1 43 60 A K T 3 S- 0 0 102 -6,-0.5 -1,-0.3 9,-0.4 2,-0.1 0.501 92.8-157.6 -82.2 -5.8 0.6 -21.8 -2.2 44 61 A G < + 0 0 32 -3,-1.9 8,-3.2 8,-0.2 -1,-0.3 -0.316 49.2 18.2 71.0-138.2 -0.9 -24.8 -4.0 45 62 A M B S-I 51 0B 127 6,-0.2 2,-0.1 -3,-0.1 -4,-0.0 -0.450 72.0-149.8 -75.9 139.7 -1.7 -28.0 -2.2 46 63 A G > - 0 0 17 4,-2.6 3,-1.5 -2,-0.2 -1,-0.1 -0.356 31.4 -94.3 -99.7 179.7 -2.1 -28.0 1.6 47 64 A Q T 3 S+ 0 0 162 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.587 121.0 62.1 -66.2 -19.2 -1.6 -30.3 4.5 48 65 A S T 3 S- 0 0 42 2,-0.3 -1,-0.3 34,-0.0 -3,-0.0 0.465 118.6-110.8 -85.0 -4.5 -5.2 -31.4 4.3 49 66 A G S < S+ 0 0 53 -3,-1.5 -2,-0.1 1,-0.3 -4,-0.1 0.601 87.1 101.4 81.6 16.7 -4.6 -32.7 0.8 50 67 A K S S- 0 0 81 -6,-0.1 -4,-2.6 1,-0.0 -1,-0.3 -0.881 84.6 -82.9-127.3 157.6 -6.7 -30.0 -0.8 51 68 A P B -I 45 0B 74 0, 0.0 2,-1.9 0, 0.0 -6,-0.2 -0.366 37.3-123.5 -59.6 138.9 -5.8 -26.7 -2.6 52 69 A L S S+ 0 0 11 -8,-3.2 -9,-0.4 -11,-0.2 2,-0.3 -0.626 76.0 110.6 -79.6 78.7 -5.0 -23.8 -0.3 53 70 A C - 0 0 19 -2,-1.9 -14,-0.2 2,-0.1 -15,-0.1 -0.979 69.0-141.2-161.6 140.8 -7.7 -21.7 -2.0 54 71 A Y > + 0 0 0 -16,-2.3 3,-2.6 -2,-0.3 110,-0.3 0.683 68.4 115.3 -75.9 -20.9 -11.1 -20.3 -1.3 55 72 A T T 3 S+ 0 0 66 -17,-0.4 110,-0.2 1,-0.3 -2,-0.1 -0.289 83.3 16.2 -58.8 129.8 -12.3 -21.0 -4.9 56 73 A G T 3 S+ 0 0 43 108,-3.5 -1,-0.3 1,-0.3 109,-0.1 0.263 100.6 117.2 90.8 -9.5 -15.1 -23.6 -4.8 57 74 A S < - 0 0 7 -3,-2.6 107,-3.2 107,-0.4 -1,-0.3 -0.386 53.5-134.6 -90.1 168.9 -15.8 -23.1 -1.1 58 75 A F B -D 163 0A 84 14,-0.3 2,-1.2 105,-0.2 13,-0.5 -0.798 22.9-108.5-122.1 158.7 -19.1 -21.8 0.4 59 76 A F + 0 0 1 103,-2.5 103,-0.3 -2,-0.3 11,-0.3 -0.793 45.8 179.2 -79.3 98.1 -20.5 -19.4 2.9 60 77 A H + 0 0 28 -2,-1.2 2,-0.4 9,-0.4 10,-0.2 0.619 61.2 40.3 -85.3 -14.6 -21.5 -22.2 5.2 61 78 A R E +E 69 0A 16 8,-1.5 8,-2.8 96,-0.1 2,-0.4 -0.963 65.3 172.6-142.1 117.5 -23.0 -20.2 8.1 62 79 A I E -E 68 0A 0 94,-2.5 91,-2.3 -2,-0.4 94,-0.3 -0.994 7.3-176.5-133.5 123.1 -25.0 -17.1 7.5 63 80 A I E >> -E 67 0A 16 4,-2.5 4,-1.4 -2,-0.4 3,-1.3 -0.963 27.0-126.8-123.9 113.1 -26.9 -15.2 10.1 64 81 A P T 34 S+ 0 0 42 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.304 94.0 15.1 -59.9 145.5 -29.1 -12.2 9.1 65 82 A Q T 34 S+ 0 0 123 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.752 128.7 57.1 55.0 31.0 -28.3 -9.0 11.0 66 83 A F T <4 S- 0 0 1 -3,-1.3 56,-2.6 1,-0.1 57,-0.8 0.241 104.0 -63.0-140.2 -74.8 -25.0 -10.4 12.2 67 84 A M E < -EF 63 121A 0 -4,-1.4 -4,-2.5 54,-0.3 2,-0.4 -0.988 30.0-110.9-171.7 169.4 -22.5 -11.7 9.6 68 85 A I E -EF 62 120A 0 52,-2.2 52,-2.1 -2,-0.3 2,-0.4 -0.984 32.0-158.5-119.1 134.3 -21.7 -14.1 6.8 69 86 A Q E +EF 61 119A 0 -8,-2.8 -8,-1.5 -2,-0.4 -9,-0.4 -0.929 24.5 136.2-122.9 134.3 -19.1 -16.8 7.4 70 87 A G E + F 0 118A 0 48,-2.1 48,-2.1 -2,-0.4 -11,-0.2 -0.743 22.9 102.1-145.2-165.4 -17.0 -18.8 5.0 71 88 A G + 0 0 0 -13,-0.5 2,-1.5 46,-0.2 11,-0.3 0.426 44.0 127.7 97.8 3.9 -13.5 -20.1 4.3 72 89 A D > + 0 0 3 -14,-0.5 4,-0.9 1,-0.2 -14,-0.3 -0.628 20.9 156.6 -89.6 82.4 -13.9 -23.7 5.3 73 90 A F T 4 + 0 0 28 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.0 0.400 67.4 52.9 -89.8 3.3 -12.5 -25.2 2.1 74 91 A T T 4 S+ 0 0 26 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.770 130.2 5.8-105.0 -35.8 -11.5 -28.5 3.7 75 92 A R T 4 S- 0 0 173 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.532 80.6-143.1-122.4 -21.6 -14.8 -29.7 5.4 76 93 A G S < S+ 0 0 40 -4,-0.9 -3,-0.1 1,-0.1 -4,-0.1 0.613 82.4 76.4 69.4 16.3 -17.3 -27.1 4.3 77 94 A D S S- 0 0 91 -7,-0.0 444,-0.2 -16,-0.0 -1,-0.1 0.333 113.2 -89.4-138.8 2.8 -19.2 -27.0 7.6 78 95 A G S S+ 0 0 0 442,-0.1 444,-0.1 -6,-0.1 39,-0.1 0.150 108.0 93.3 104.2 -16.1 -17.1 -25.0 10.1 79 96 A T S S+ 0 0 68 442,-0.1 2,-0.1 -7,-0.1 441,-0.1 0.541 87.3 36.8 -84.3 -5.9 -15.0 -27.9 11.4 80 97 A G + 0 0 18 2,-0.0 37,-0.3 441,-0.0 36,-0.2 -0.227 53.4 119.4-125.1-148.1 -12.1 -27.4 8.9 81 98 A G - 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