==== 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 29-SEP-08 3EOV . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR V.VENUGOPAL,D.DASGUPTA,A.K.DATTA,R.BANERJEE . 354 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 28.2 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 2 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 . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 7 0 6 4 0 1 1 1 1 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 2 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 22 A E 0 0 126 0, 0.0 91,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.3 7.0 8.4 -8.5 2 23 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 25,-0.0 -0.097 360.0 -97.2 -60.9 161.7 10.7 7.7 -9.3 3 24 A E - 0 0 110 1,-0.1 2,-0.5 24,-0.1 26,-0.4 -0.575 33.5-121.7 -82.1 141.6 11.9 4.9 -11.6 4 25 A V + 0 0 50 -2,-0.2 23,-0.2 23,-0.2 3,-0.1 -0.731 32.9 171.0 -87.5 125.7 13.0 1.6 -10.0 5 26 A T + 0 0 69 21,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.760 63.5 17.2-104.0 -33.0 16.6 0.6 -10.9 6 27 A A E -A 26 0A 26 20,-1.0 20,-2.4 2,-0.0 2,-0.4 -0.874 63.8-139.1-135.6 169.6 17.3 -2.3 -8.6 7 28 A K E +A 25 0A 106 -2,-0.3 159,-2.9 18,-0.2 2,-0.2 -0.987 19.1 174.1-136.5 126.7 15.3 -4.9 -6.5 8 29 A V E -AB 24 165A 0 16,-2.3 16,-2.7 -2,-0.4 2,-0.3 -0.714 12.1-155.0-120.1 173.0 16.1 -6.2 -3.0 9 30 A Y E -AB 23 164A 44 155,-0.9 155,-1.8 14,-0.2 2,-0.4 -0.990 11.2-152.9-151.1 157.3 14.1 -8.5 -0.7 10 31 A F E -AB 22 163A 0 12,-1.8 12,-2.9 -2,-0.3 2,-0.7 -0.994 9.9-152.4-131.9 124.8 13.6 -9.5 2.9 11 32 A D E -AB 21 162A 35 151,-4.1 151,-1.3 -2,-0.4 150,-0.8 -0.878 27.8-157.2 -95.5 120.5 12.4 -12.8 4.0 12 33 A V E +AB 20 160A 4 8,-3.0 7,-2.7 -2,-0.7 8,-1.4 -0.824 17.9 177.3-108.3 144.9 10.7 -12.1 7.4 13 34 A M E -AB 18 159A 42 146,-2.7 146,-3.1 -2,-0.4 2,-0.7 -0.999 19.7-151.5-144.4 137.3 9.9 -14.4 10.3 14 35 A I E > S-AB 17 158A 24 3,-2.5 3,-1.1 -2,-0.3 144,-0.2 -0.861 79.8 -35.2-110.8 96.9 8.3 -13.8 13.7 15 36 A D T 3 S- 0 0 82 142,-1.1 2,-0.7 -2,-0.7 -1,-0.2 0.971 124.9 -36.3 53.3 81.2 9.7 -16.3 16.2 16 37 A S T 3 S+ 0 0 95 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.168 117.0 109.1 61.2 -18.1 10.1 -19.5 14.0 17 38 A E E < -A 14 0A 96 -3,-1.1 -3,-2.5 -2,-0.7 2,-0.2 -0.790 67.5-135.0 -94.2 115.8 7.0 -18.7 12.0 18 39 A P E -A 13 0A 100 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.471 21.2-178.0 -69.6 128.4 7.6 -17.5 8.4 19 40 A L E - 0 0 26 -7,-2.7 2,-0.3 1,-0.3 -6,-0.2 0.819 43.5-112.1 -93.2 -38.2 5.6 -14.5 7.3 20 41 A G E -A 12 0A 34 -8,-1.4 -8,-3.0 119,-0.0 2,-0.4 -0.936 40.8 -44.9 139.1-160.5 6.8 -14.3 3.8 21 42 A R E -A 11 0A 99 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.922 28.9-153.3-120.5 136.9 8.9 -12.0 1.6 22 43 A I E -A 10 0A 0 -12,-2.9 -12,-1.8 -2,-0.4 2,-0.6 -0.901 15.4-158.3-103.2 111.9 9.0 -8.2 1.1 23 44 A T E -AC 9 135A 18 112,-3.1 111,-2.3 -2,-0.7 112,-1.5 -0.838 12.9-163.3 -94.0 121.9 10.3 -7.2 -2.4 24 45 A I E -AC 8 133A 0 -16,-2.7 -16,-2.3 -2,-0.6 2,-0.4 -0.838 10.2-148.6-110.7 141.3 11.6 -3.7 -2.5 25 46 A G E -AC 7 132A 0 107,-3.4 107,-1.7 -2,-0.4 2,-0.5 -0.864 14.9-143.6-106.6 141.5 12.3 -1.4 -5.4 26 47 A L E -AC 6 131A 1 -20,-2.4 -21,-2.8 -2,-0.4 2,-2.5 -0.909 11.0-141.1-115.6 122.3 15.2 1.1 -5.3 27 48 A F > + 0 0 1 103,-1.3 4,-1.2 -2,-0.5 3,-0.4 -0.448 31.9 171.1 -73.5 75.6 15.2 4.6 -6.9 28 49 A G T 4 + 0 0 13 -2,-2.5 -1,-0.2 1,-0.2 7,-0.1 0.783 69.1 50.8 -59.5 -31.2 18.8 4.4 -8.0 29 50 A K T 4 S+ 0 0 152 -26,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.813 112.0 43.1 -79.4 -30.8 18.8 7.6 -10.1 30 51 A D T 4 S+ 0 0 62 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.618 133.8 16.4 -90.7 -13.9 17.3 10.0 -7.5 31 52 A A X + 0 0 2 -4,-1.2 4,-2.0 99,-0.1 -1,-0.2 -0.512 69.3 160.2-159.7 76.1 19.4 8.8 -4.6 32 53 A P H > S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.876 77.8 47.2 -68.5 -45.8 22.4 6.7 -5.8 33 54 A L H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.947 116.4 46.1 -62.9 -48.1 24.6 6.9 -2.7 34 55 A T H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 113.8 45.6 -63.9 -44.4 21.6 6.0 -0.5 35 56 A T H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.793 111.6 54.0 -71.4 -28.2 20.3 3.1 -2.5 36 57 A E H X S+ 0 0 68 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.923 107.6 49.9 -69.0 -44.1 23.8 1.7 -2.9 37 58 A N H X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.970 114.6 45.2 -55.6 -54.6 24.2 1.8 0.9 38 59 A F H >X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 3,-1.0 0.945 112.2 50.6 -54.8 -55.0 20.9 -0.1 1.2 39 60 A R H 3X S+ 0 0 47 -4,-2.8 4,-1.8 1,-0.3 3,-0.4 0.905 110.2 48.7 -51.1 -50.7 21.7 -2.6 -1.5 40 61 A Q H 3X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 6,-0.5 0.678 108.8 53.3 -67.8 -18.9 25.1 -3.6 -0.1 41 62 A L H << S+ 0 0 0 -4,-1.2 9,-1.8 -3,-1.0 10,-0.5 0.742 106.3 54.8 -84.9 -25.3 23.7 -4.0 3.4 42 63 A C H < S+ 0 0 1 -4,-1.5 121,-0.2 -3,-0.4 -2,-0.2 0.902 114.3 38.7 -72.5 -41.1 21.1 -6.4 1.9 43 64 A T H < S- 0 0 55 -4,-1.8 -2,-0.2 121,-0.1 -3,-0.1 0.929 100.0-134.6 -76.1 -44.6 23.7 -8.6 0.3 44 65 A G >< + 0 0 26 -4,-1.8 3,-3.3 -5,-0.2 -3,-0.1 0.462 48.8 151.6 103.0 2.4 26.2 -8.4 3.2 45 66 A E T 3 S+ 0 0 109 -5,-0.4 -4,-0.1 1,-0.3 4,-0.1 0.752 71.0 49.0 -32.7 -48.2 29.3 -7.8 0.9 46 67 A H T 3 S- 0 0 87 -6,-0.5 -1,-0.3 2,-0.3 3,-0.1 0.367 122.5 -99.2 -82.7 6.0 31.2 -5.9 3.6 47 68 A G S < S+ 0 0 73 -3,-3.3 2,-0.2 1,-0.3 -2,-0.1 -0.150 100.6 70.7 105.7 -41.9 30.6 -8.4 6.4 48 69 A F + 0 0 49 2,-0.0 -1,-0.3 22,-0.0 -2,-0.3 -0.571 58.3 132.8-103.3 171.7 27.7 -6.8 8.1 49 70 A G - 0 0 11 -2,-0.2 -7,-0.2 2,-0.2 -8,-0.1 -0.960 65.6 -68.1 166.8 177.3 24.2 -6.3 6.9 50 71 A Y S > S+ 0 0 0 -9,-1.8 3,-1.5 -2,-0.3 2,-0.3 0.548 83.9 119.6 -69.5 -9.1 20.4 -6.6 7.5 51 72 A K T 3 S+ 0 0 110 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.458 86.4 4.1 -65.2 121.3 20.6 -10.3 7.7 52 73 A D T 3 S+ 0 0 72 108,-3.7 -1,-0.3 -2,-0.3 109,-0.1 0.278 102.4 126.7 88.3 -7.0 19.3 -11.5 11.1 53 74 A S < - 0 0 1 -3,-1.5 107,-2.8 107,-0.3 -1,-0.3 -0.085 46.9-136.8 -72.5 176.7 18.4 -8.0 12.2 54 75 A I B -D 159 0A 19 14,-0.3 2,-0.9 105,-0.2 13,-0.8 -0.804 19.4-107.8-133.8 174.5 15.0 -7.0 13.5 55 76 A F + 0 0 1 103,-1.4 11,-0.2 -2,-0.3 103,-0.2 -0.806 35.9 179.7-103.5 86.0 12.2 -4.4 13.4 56 77 A H + 0 0 11 -2,-0.9 2,-0.4 1,-0.2 10,-0.1 0.535 66.7 43.7 -68.5 -10.3 12.7 -2.8 16.9 57 78 A R E +E 65 0A 16 8,-1.1 8,-3.3 96,-0.1 2,-0.4 -0.914 60.3 167.0-144.0 114.6 9.9 -0.3 16.5 58 79 A V E -E 64 0A 2 94,-2.1 2,-0.4 -2,-0.4 6,-0.2 -0.995 6.7-178.9-127.6 126.4 6.5 -0.9 15.0 59 80 A I E >> -E 63 0A 27 4,-2.6 4,-1.3 -2,-0.4 3,-1.1 -0.970 29.3-120.8-130.7 116.8 3.6 1.5 15.4 60 81 A Q T 34 S+ 0 0 58 -2,-0.4 85,-0.1 1,-0.2 3,-0.1 -0.188 96.0 13.6 -53.7 144.7 0.1 0.8 14.0 61 82 A N T 34 S+ 0 0 132 1,-0.2 -1,-0.2 56,-0.1 57,-0.1 0.784 129.0 53.8 59.0 31.4 -1.1 3.3 11.4 62 83 A F T <4 S- 0 0 2 -3,-1.1 55,-2.2 53,-0.1 56,-0.6 0.207 102.3 -59.6-150.1 -76.6 2.3 4.8 11.0 63 84 A M E < -EF 59 116A 0 -4,-1.3 -4,-2.6 53,-0.3 2,-0.4 -0.988 27.4-115.1-172.0 173.6 5.3 2.6 10.2 64 85 A I E -EF 58 115A 0 51,-1.6 51,-2.1 -2,-0.3 2,-0.3 -0.990 32.6-155.7-125.7 134.7 7.7 -0.2 11.0 65 86 A Q E +EF 57 114A 1 -8,-3.3 -8,-1.1 -2,-0.4 2,-0.3 -0.870 23.5 139.0-116.3 147.9 11.3 0.5 11.7 66 87 A G E + F 0 113A 0 47,-2.3 47,-1.7 -2,-0.3 -11,-0.2 -0.887 23.2 102.0-161.6-169.2 14.5 -1.6 11.4 67 88 A G + 0 0 0 -13,-0.8 2,-1.5 -2,-0.3 -12,-0.1 0.488 43.1 129.4 98.0 2.3 18.2 -1.7 10.4 68 89 A D > + 0 0 1 -14,-0.5 4,-0.8 1,-0.2 -14,-0.3 -0.702 20.5 156.2 -89.8 84.4 19.9 -1.5 13.8 69 90 A F T 4 + 0 0 23 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.237 68.2 51.2 -94.9 13.1 22.1 -4.5 13.2 70 91 A T T 4 S+ 0 0 67 -3,-0.1 -1,-0.2 -22,-0.1 -2,-0.1 0.428 130.4 7.1-124.9 -5.1 24.7 -3.4 15.7 71 92 A N T 4 S- 0 0 85 -3,-0.2 -2,-0.1 5,-0.0 -3,-0.1 0.406 77.7-144.8-148.8 -21.7 22.6 -2.6 18.8 72 93 A F S < S+ 0 0 77 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.0 0.674 82.0 82.1 58.0 20.7 19.1 -3.9 18.1 73 94 A D S S- 0 0 83 80,-0.0 -1,-0.1 -16,-0.0 268,-0.1 0.522 110.0 -96.1-127.1 -12.3 17.5 -1.1 20.0 74 95 A G S S+ 0 0 1 266,-0.1 268,-0.1 -6,-0.1 38,-0.1 0.372 104.0 94.6 110.3 0.1 17.5 1.8 17.6 75 96 A T S S+ 0 0 77 265,-0.1 2,-0.1 266,-0.1 265,-0.1 0.553 82.8 48.0 -98.4 -9.0 20.6 3.5 18.8 76 97 A G + 0 0 14 2,-0.0 35,-0.3 265,-0.0 36,-0.2 -0.302 48.0 108.9-118.9-160.7 23.0 1.8 16.3 77 98 A G - 0 0 16 -9,-0.2 2,-0.3 33,-0.1 -9,-0.1 -0.191 39.0-138.7 108.1 158.2 23.8 0.9 12.8 78 99 A K - 0 0 80 32,-0.2 5,-0.2 -2,-0.1 32,-0.1 -0.987 9.2-126.2-154.1 144.0 26.3 2.2 10.3 79 100 A S B > -I 82 0B 2 4,-0.9 3,-0.6 3,-0.6 32,-0.1 -0.157 33.1-108.7 -78.8 179.4 26.5 3.0 6.6 80 101 A I T 3 S+ 0 0 35 1,-0.2 3,-0.1 30,-0.2 -1,-0.1 0.350 115.6 65.5 -90.8 5.8 29.0 1.6 4.1 81 102 A Y T 3 S- 0 0 91 1,-0.4 2,-0.3 29,-0.1 3,-0.3 -0.092 121.3 -89.7-114.9 29.6 30.6 5.1 4.0 82 103 A G B < S-I 79 0B 44 -3,-0.6 -3,-0.6 1,-0.2 -1,-0.4 -0.774 83.7 -21.3 100.4-144.4 31.7 5.1 7.6 83 104 A E S S- 0 0 141 -2,-0.3 -4,-0.9 -5,-0.2 2,-0.3 0.979 119.4 -11.5 -69.0 -62.6 29.5 6.3 10.5 84 105 A K - 0 0 119 -3,-0.3 2,-0.3 -6,-0.1 26,-0.2 -0.874 56.8-151.0-137.2 168.5 27.0 8.7 8.8 85 106 A F B -J 109 0C 20 24,-1.2 24,-1.4 -2,-0.3 3,-0.1 -0.999 27.7 -97.6-146.6 146.1 26.3 10.4 5.5 86 107 A A - 0 0 59 -2,-0.3 2,-0.7 21,-0.1 -1,-0.0 0.006 47.1 -96.0 -52.1 162.4 24.6 13.5 4.3 87 108 A D - 0 0 22 1,-0.2 3,-0.2 3,-0.0 -1,-0.1 -0.774 36.1-165.8 -85.4 116.5 21.1 13.4 2.9 88 109 A E + 0 0 58 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.965 69.5 10.8 -65.6 -58.4 21.3 13.2 -0.9 89 110 A N + 0 0 29 1,-0.1 -1,-0.2 40,-0.0 40,-0.2 -0.992 49.0 167.5-132.7 127.2 17.8 14.0 -1.9 90 111 A L + 0 0 58 -2,-0.4 35,-0.1 -3,-0.2 37,-0.1 -0.064 65.5 86.6-124.7 27.8 14.9 15.5 0.2 91 112 A N + 0 0 139 38,-0.1 2,-0.2 33,-0.1 -1,-0.1 0.748 65.3 90.5 -97.3 -31.8 12.6 16.3 -2.7 92 113 A V S S- 0 0 20 37,-0.2 37,-0.5 -62,-0.1 33,-0.4 -0.483 73.7-137.3 -69.1 132.5 10.9 12.9 -3.0 93 114 A K - 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