==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-APR-07 2POE . COMPND 2 MOLECULE: CYCLOPHILIN-LIKE PROTEIN, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM IOWA II; . AUTHOR A.K.WERNIMONT,J.LEW,T.HILLS,A.HASSANALI,L.LIN,G.WASNEY, . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 64.2 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 . 51 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 1.2 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.3 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 . 3 1 2 3 0 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 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 15 A Y 0 0 127 0, 0.0 18,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.2 10.3 -24.2 -35.2 2 16 A F - 0 0 73 1,-0.1 17,-0.1 15,-0.1 2,-0.1 0.125 360.0-145.7 -52.7 118.7 10.5 -24.4 -31.4 3 17 A Q - 0 0 76 14,-0.1 15,-3.0 15,-0.1 2,-0.4 -0.303 1.8-135.6 -79.9 159.6 14.1 -24.7 -30.1 4 18 A G E -AB 17 160A 16 156,-0.6 156,-2.3 13,-0.2 2,-0.3 -0.888 16.8-172.0-112.6 147.1 15.5 -26.6 -27.2 5 19 A V E -AB 16 159A 0 11,-2.1 11,-2.3 -2,-0.4 2,-0.5 -0.907 13.6-143.0-126.2 158.8 18.0 -25.4 -24.6 6 20 A R E -AB 15 158A 72 152,-2.8 152,-2.4 -2,-0.3 2,-0.7 -0.987 4.0-152.6-124.9 121.9 19.8 -27.2 -21.8 7 21 A I E -AB 14 157A 0 7,-3.2 7,-2.6 -2,-0.5 2,-0.7 -0.859 16.7-153.7 -89.4 115.8 20.5 -25.6 -18.5 8 22 A I E +AB 13 156A 35 148,-3.0 147,-3.0 -2,-0.7 148,-1.2 -0.860 22.3 173.0 -97.6 114.1 23.6 -27.3 -17.2 9 23 A T E > -AB 12 154A 4 3,-1.8 3,-1.8 -2,-0.7 145,-0.2 -0.747 49.4-104.2-116.5 166.7 23.7 -27.2 -13.4 10 24 A N T 3 S+ 0 0 63 143,-1.6 3,-0.1 1,-0.3 144,-0.1 0.477 123.7 48.8 -67.1 -0.9 25.9 -28.8 -10.6 11 25 A Y T 3 S- 0 0 77 1,-0.5 -1,-0.3 142,-0.3 2,-0.2 0.203 126.7 -76.0-118.4 12.8 23.0 -31.2 -10.0 12 26 A G E < -A 9 0A 27 -3,-1.8 -3,-1.8 124,-0.1 -1,-0.5 -0.621 61.3 -51.0 116.7 179.1 22.4 -32.2 -13.6 13 27 A D E -A 8 0A 57 -5,-0.2 2,-0.4 -2,-0.2 120,-0.3 -0.720 32.0-158.9-102.4 143.0 20.8 -30.9 -16.8 14 28 A L E -A 7 0A 0 -7,-2.6 -7,-3.2 -2,-0.3 2,-0.5 -0.984 10.6-157.0-115.9 127.2 17.4 -29.4 -17.4 15 29 A K E -AC 6 129A 39 114,-2.6 113,-3.3 -2,-0.4 114,-1.6 -0.934 13.0-174.5-110.0 126.1 16.1 -29.4 -21.0 16 30 A F E -AC 5 127A 0 -11,-2.3 -11,-2.1 -2,-0.5 2,-0.5 -0.889 22.8-139.8-118.7 141.2 13.4 -26.9 -22.0 17 31 A E E -AC 4 126A 51 109,-3.0 109,-2.1 -2,-0.4 2,-0.3 -0.882 27.6-141.1 -90.8 135.4 11.5 -26.4 -25.2 18 32 A L E - C 0 125A 0 -15,-3.0 2,-1.6 -2,-0.5 107,-0.3 -0.800 11.0-128.3 -99.6 145.4 11.2 -22.6 -25.9 19 33 A F > + 0 0 17 105,-3.2 4,-2.7 -2,-0.3 3,-0.2 -0.550 39.2 167.5 -90.7 70.1 8.0 -21.0 -27.3 20 34 A C T 4 + 0 0 28 -2,-1.6 -1,-0.2 1,-0.2 7,-0.2 0.882 69.5 47.0 -52.3 -52.9 9.7 -19.2 -30.2 21 35 A S T 4 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.829 120.2 37.1 -60.8 -41.2 6.5 -18.3 -32.2 22 36 A Q T 4 S+ 0 0 54 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 129.6 26.2 -83.6 -35.6 4.6 -16.9 -29.2 23 37 A C X + 0 0 0 -4,-2.7 4,-2.8 1,-0.1 5,-0.2 -0.494 65.6 151.6-130.6 58.6 7.4 -15.2 -27.3 24 38 A P H > S+ 0 0 68 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.891 75.8 51.4 -65.5 -33.2 10.2 -14.2 -29.7 25 39 A K H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 114.3 42.2 -68.6 -47.2 11.4 -11.3 -27.7 26 40 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 117.6 47.5 -60.6 -45.2 11.7 -13.3 -24.4 27 41 A C H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.898 111.5 49.3 -65.1 -45.1 13.2 -16.3 -26.3 28 42 A K H X S+ 0 0 128 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.926 111.5 50.4 -60.7 -42.4 15.8 -14.1 -28.2 29 43 A N H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.947 113.5 45.0 -57.9 -48.2 16.8 -12.4 -25.0 30 44 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.921 116.3 45.7 -67.5 -43.8 17.3 -15.7 -23.2 31 45 A L H X S+ 0 0 28 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.904 115.4 45.8 -62.8 -42.5 19.2 -17.2 -26.2 32 46 A A H X S+ 0 0 29 -4,-2.9 4,-1.9 2,-0.2 6,-0.2 0.911 115.1 46.5 -74.4 -42.0 21.4 -14.1 -26.8 33 47 A L H <>S+ 0 0 9 -4,-2.9 5,-2.2 -5,-0.3 6,-0.4 0.940 113.7 49.9 -59.9 -46.2 22.3 -13.8 -23.0 34 48 A S H ><5S+ 0 0 2 -4,-2.6 3,-1.3 -5,-0.3 123,-0.3 0.913 111.9 48.1 -56.9 -45.9 23.0 -17.5 -22.9 35 49 A A H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.1 53.5 -66.3 -38.0 25.3 -17.4 -26.0 36 50 A S T 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.281 119.2-111.8 -78.2 7.2 27.3 -14.4 -24.7 37 51 A G T X 5S+ 0 0 25 -3,-1.3 3,-1.5 120,-0.2 -3,-0.2 0.586 71.3 142.3 71.0 16.4 27.9 -16.4 -21.5 38 52 A Y T 3 S+ 0 0 0 -6,-0.4 3,-1.0 -5,-0.2 -1,-0.3 0.415 83.8 123.5-104.5 -2.8 24.5 -17.1 -17.2 40 54 A K T < S+ 0 0 117 -3,-1.5 115,-0.2 1,-0.2 116,-0.2 -0.432 84.5 1.8 -64.4 131.6 27.8 -19.0 -16.9 41 55 A N T 3 S+ 0 0 130 113,-1.2 -1,-0.2 114,-0.3 2,-0.2 0.880 99.5 136.0 60.0 42.0 28.7 -19.7 -13.3 42 56 A T E < -D 154 0A 8 112,-1.5 112,-3.2 -3,-1.0 2,-0.3 -0.700 44.3-127.1-110.4 170.3 25.6 -18.0 -11.8 43 57 A I E -DE 153 57A 24 14,-0.5 2,-0.8 110,-0.2 13,-0.5 -0.781 14.9-119.9-118.2 156.4 23.4 -19.3 -9.0 44 58 A F E - E 0 55A 1 108,-1.9 108,-0.4 -2,-0.3 11,-0.3 -0.920 34.0-174.9 -85.5 111.0 19.7 -20.0 -8.3 45 59 A H E + 0 0 17 -2,-0.8 2,-0.4 9,-0.7 10,-0.2 0.539 64.2 44.4 -86.6 -13.1 19.3 -17.5 -5.4 46 60 A K E + E 0 54A 67 8,-1.6 8,-2.9 101,-0.2 2,-0.3 -0.997 58.3 171.1-140.1 128.5 15.7 -18.5 -4.4 47 61 A N E + E 0 53A 5 99,-2.5 2,-0.5 -2,-0.4 6,-0.2 -0.943 3.5 178.4-143.4 113.0 14.3 -22.0 -4.1 48 62 A I > - 0 0 43 4,-2.9 3,-2.4 -2,-0.3 4,-0.4 -0.951 31.8-122.1-125.2 108.0 10.8 -22.6 -2.6 49 63 A K T 3 S+ 0 0 157 -2,-0.5 3,-0.1 1,-0.3 90,-0.0 -0.154 95.9 8.3 -52.1 135.1 9.6 -26.2 -2.5 50 64 A G T 3 S+ 0 0 34 1,-0.2 -1,-0.3 61,-0.1 62,-0.1 0.491 130.5 59.5 68.6 3.3 6.3 -26.7 -4.4 51 65 A F S < S- 0 0 63 -3,-2.4 60,-2.9 1,-0.2 61,-0.6 0.461 102.1 -45.4-120.5 -93.7 6.5 -23.2 -5.8 52 66 A I E - F 0 110A 7 -4,-0.4 -4,-2.9 58,-0.3 2,-0.4 -0.937 27.1-142.1-144.9 160.0 9.5 -21.9 -7.9 53 67 A I E -EF 47 109A 0 56,-2.0 56,-2.4 -2,-0.3 2,-0.4 -0.997 28.2-164.7-123.3 128.9 13.3 -21.8 -8.3 54 68 A Q E +EF 46 108A 20 -8,-2.9 -8,-1.6 -2,-0.4 -9,-0.7 -0.942 22.2 136.6-123.0 137.6 14.7 -18.5 -9.6 55 69 A G E +EF 44 107A 0 52,-2.4 52,-2.1 -2,-0.4 -11,-0.2 -0.663 22.0 110.0-148.1-156.3 18.1 -17.6 -11.0 56 70 A G E + 0 0 0 -13,-0.5 -12,-0.1 50,-0.3 3,-0.1 0.593 48.3 123.0 90.9 10.1 19.6 -15.5 -13.9 57 71 A D E > -E 43 0A 0 -14,-0.5 3,-1.4 1,-0.1 -14,-0.5 -0.938 49.0-158.6-105.3 113.4 21.0 -12.7 -11.9 58 72 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.856 99.1 53.7 -60.3 -35.4 24.9 -12.5 -12.6 59 73 A T T 3 S- 0 0 87 -3,-0.1 -2,-0.0 -17,-0.1 -17,-0.0 0.644 99.4-145.5 -60.5 -29.6 25.1 -10.6 -9.3 60 74 A G S < S+ 0 0 10 -3,-1.4 -1,-0.0 -17,-0.1 -18,-0.0 0.551 72.7 101.6 67.2 9.8 23.3 -13.5 -7.5 61 75 A T S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.655 92.4-116.7 -96.9 -20.0 21.4 -11.2 -5.1 62 76 A G S S+ 0 0 22 -16,-0.0 44,-0.0 -5,-0.0 -7,-0.0 0.314 101.6 83.9 96.8 -3.8 18.0 -11.2 -6.8 63 77 A K S S+ 0 0 190 -6,-0.1 2,-0.1 0, 0.0 0, 0.0 0.633 80.2 66.8-102.3 -17.6 18.4 -7.5 -7.4 64 78 A G + 0 0 20 2,-0.0 41,-0.3 41,-0.0 42,-0.3 -0.177 48.9 87.1-104.0-173.0 20.5 -7.5 -10.7 65 79 A G - 0 0 22 40,-0.1 2,-0.3 39,-0.1 41,-0.1 0.253 38.5-153.5 98.8 143.8 20.4 -8.5 -14.4 66 80 A E - 0 0 102 38,-0.2 5,-0.2 39,-0.1 38,-0.2 -0.936 17.5-112.5-141.0 165.7 19.4 -6.7 -17.5 67 81 A S B > -I 70 0B 11 3,-1.8 3,-1.2 -2,-0.3 38,-0.1 -0.388 31.0-106.5 -92.2 168.6 18.1 -7.7 -21.0 68 82 A I T 3 S+ 0 0 76 1,-0.2 3,-0.1 36,-0.2 -1,-0.1 0.597 121.3 56.1 -64.2 -14.7 19.7 -7.4 -24.5 69 83 A Y T 3 S- 0 0 100 1,-0.4 2,-0.3 35,-0.1 -1,-0.2 0.460 126.4 -80.8 -96.7 -4.5 17.2 -4.6 -25.1 70 84 A G B < S-I 67 0B 31 -3,-1.2 -3,-1.8 1,-0.1 -1,-0.4 -0.876 78.5 -33.9 127.3-166.0 18.2 -2.4 -22.1 71 85 A R S S+ 0 0 155 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.889 127.1 12.1 -57.8 -40.9 17.3 -2.7 -18.4 72 86 A Y - 0 0 106 -3,-0.2 2,-0.3 -6,-0.1 32,-0.2 -0.885 62.4-162.7-134.6 158.8 13.8 -4.0 -19.2 73 87 A F B -J 103 0C 11 30,-1.1 30,-1.6 -2,-0.3 -3,-0.0 -0.974 33.8 -84.6-144.3 163.5 11.7 -5.3 -22.1 74 88 A D - 0 0 87 -2,-0.3 2,-0.2 28,-0.1 -48,-0.1 -0.138 42.5-102.0 -73.0 153.9 8.0 -5.8 -22.7 75 89 A D - 0 0 34 -50,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.460 16.8-163.4 -70.8 138.3 5.7 -8.7 -21.7 76 90 A E + 0 0 13 -2,-0.2 2,-0.4 -53,-0.1 47,-0.3 -0.896 33.2 159.2-115.0 92.8 4.6 -11.4 -24.1 77 91 A I + 0 0 54 -2,-0.5 45,-0.1 45,-0.1 3,-0.0 -0.976 10.2 169.9-125.4 130.5 1.7 -12.8 -22.0 78 92 A Y > - 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