==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE BINDING PROTEIN 09-OCT-07 2RHD . COMPND 2 MOLECULE: SMALL GTP BINDING PROTEIN RAB1A; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR A.DONG,X.XU,J.LEW,Y.H.LIN,C.KHUU,X.SUN,W.QIU,I.KOZIERADZKI, . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.9 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 . 0 0.0 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 27.4 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 1 0 0 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A N 0 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.6 9.5 34.9 -1.1 2 4 A P - 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.212 360.0-131.3 -55.5 143.4 13.3 34.9 -0.7 3 5 A E S S+ 0 0 132 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.902 82.2 5.9 -63.8 -43.1 14.6 33.1 2.3 4 6 A Y - 0 0 84 1,-0.1 52,-0.2 53,-0.0 -1,-0.2 -0.958 53.0-140.5-145.8 157.4 17.0 35.9 3.4 5 7 A D S S+ 0 0 83 50,-2.3 2,-0.3 -2,-0.3 51,-0.2 0.733 87.1 22.4 -87.6 -27.4 18.1 39.4 2.5 6 8 A Y E -a 56 0A 56 49,-1.4 51,-3.4 2,-0.0 2,-0.5 -0.992 55.4-153.2-145.2 145.4 21.8 39.0 3.0 7 9 A L E -a 57 0A 60 -2,-0.3 2,-0.5 49,-0.2 51,-0.2 -0.985 19.9-173.4-118.4 116.8 24.5 36.3 3.1 8 10 A F E -a 58 0A 4 49,-2.8 51,-2.8 -2,-0.5 2,-0.5 -0.951 13.3-149.5-112.6 129.2 27.5 37.2 5.3 9 11 A K E -a 59 0A 69 -2,-0.5 64,-2.6 62,-0.2 65,-1.7 -0.857 19.4-172.5 -96.5 126.4 30.6 35.0 5.4 10 12 A L E -ab 60 74A 0 49,-2.8 51,-2.2 -2,-0.5 2,-0.4 -0.949 8.3-164.1-123.2 141.0 32.4 35.1 8.7 11 13 A L E -ab 61 75A 0 63,-2.0 65,-2.9 -2,-0.4 2,-0.5 -0.985 10.3-148.1-124.9 134.8 35.7 33.6 9.7 12 14 A L E + b 0 76A 2 49,-2.2 2,-0.3 -2,-0.4 65,-0.2 -0.900 26.2 175.2 -96.0 129.1 37.1 33.1 13.2 13 15 A I E + b 0 77A 7 63,-2.8 65,-3.2 -2,-0.5 2,-0.2 -0.937 18.0 102.5-130.8 159.1 40.9 33.4 13.4 14 16 A G - 0 0 6 -2,-0.3 65,-0.1 63,-0.2 3,-0.1 -0.819 68.4 -41.3 148.7 170.4 43.4 33.3 16.3 15 17 A D S > S- 0 0 28 63,-0.5 3,-1.5 71,-0.3 5,-0.3 -0.159 71.2 -86.2 -61.8 153.8 46.0 31.0 18.0 16 18 A S T 3 S+ 0 0 118 1,-0.2 -1,-0.1 2,-0.1 70,-0.0 -0.377 113.4 24.7 -57.8 133.2 45.3 27.3 18.5 17 19 A G T 3 S+ 0 0 57 -3,-0.1 -1,-0.2 -2,-0.0 -2,-0.1 0.348 82.8 113.2 96.2 -2.8 43.4 26.7 21.8 18 20 A V S < S- 0 0 0 -3,-1.5 63,-0.1 60,-0.1 61,-0.1 0.704 93.2 -97.9 -76.5 -21.4 41.8 30.1 22.2 19 21 A G S > S+ 0 0 13 -4,-0.2 4,-2.8 59,-0.1 5,-0.2 0.628 73.5 141.7 114.6 23.9 38.2 28.7 21.8 20 22 A K H > S+ 0 0 33 -5,-0.3 4,-2.1 2,-0.2 5,-0.1 0.949 80.4 40.8 -58.5 -52.8 37.4 29.4 18.1 21 23 A S H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 115.0 52.3 -64.0 -41.0 35.5 26.1 17.6 22 24 A C H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 108.3 51.4 -60.6 -41.7 33.8 26.4 21.0 23 25 A L H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.926 112.4 46.6 -61.3 -42.8 32.6 29.9 20.1 24 26 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.4 0.921 112.5 48.3 -65.5 -47.1 31.1 28.6 16.9 25 27 A L H X>S+ 0 0 23 -4,-2.8 4,-2.2 2,-0.2 6,-1.2 0.874 111.8 50.4 -60.9 -40.8 29.5 25.5 18.5 26 28 A R H X5S+ 0 0 40 -4,-2.4 4,-0.9 4,-0.3 -2,-0.2 0.929 117.1 40.3 -61.7 -45.8 28.0 27.7 21.2 27 29 A F H <5S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.930 125.6 33.0 -68.4 -48.4 26.6 30.2 18.6 28 30 A A H <5S+ 0 0 24 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.861 138.3 15.5 -81.7 -37.8 25.4 27.7 16.0 29 31 A D H <5S- 0 0 74 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.498 89.4-126.6-116.3 -9.3 24.3 24.8 18.1 30 32 A D << + 0 0 109 -4,-0.9 2,-0.3 -5,-0.7 -4,-0.3 0.872 68.9 126.7 53.5 40.7 24.1 26.2 21.7 31 33 A T - 0 0 69 -6,-1.2 2,-0.3 -9,-0.1 -1,-0.2 -0.852 37.2-175.9-118.2 158.1 26.4 23.4 22.9 32 34 A Y + 0 0 78 -2,-0.3 2,-0.3 -3,-0.1 112,-0.0 -0.928 4.6 174.2-151.2 135.5 29.6 23.4 24.9 33 35 A T - 0 0 62 -2,-0.3 4,-0.1 2,-0.2 -2,-0.0 -0.994 29.9-147.3-134.3 142.2 32.1 20.7 26.0 34 36 A D S S+ 0 0 115 -2,-0.3 3,-0.1 2,-0.1 2,-0.1 0.604 73.2 109.3 -71.4 -15.8 35.4 21.0 27.8 35 37 A S S S- 0 0 82 1,-0.1 -2,-0.2 -3,-0.0 0, 0.0 -0.376 84.0 -92.1 -69.0 142.5 36.4 17.9 25.8 36 38 A Y - 0 0 202 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.232 36.1-159.0 -59.3 135.9 38.9 18.3 22.9 37 39 A I + 0 0 39 1,-0.2 3,-0.1 -3,-0.1 -16,-0.1 -0.970 18.3 175.0-116.8 114.2 37.6 19.0 19.5 38 40 A S S S- 0 0 94 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.904 79.5 -0.1 -79.4 -44.6 39.8 18.3 16.5 39 41 A T - 0 0 94 1,-0.0 -1,-0.4 -18,-0.0 4,-0.1 -0.996 56.8-135.8-144.0 144.2 37.0 19.1 14.0 40 42 A I - 0 0 26 -2,-0.3 3,-0.1 2,-0.3 4,-0.1 0.546 54.0-117.2 -73.7 -8.1 33.4 20.3 14.3 41 43 A G S S+ 0 0 61 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.361 87.4 70.4 92.0 -6.3 32.7 17.7 11.6 42 44 A V S S- 0 0 73 1,-0.1 -2,-0.3 0, 0.0 -1,-0.2 -0.931 81.6-122.5-134.3 159.5 31.5 20.2 8.9 43 45 A D S S- 0 0 115 -2,-0.3 19,-0.4 1,-0.2 2,-0.3 0.869 91.0 -6.2 -68.1 -36.7 33.3 22.8 6.9 44 46 A F - 0 0 77 17,-0.1 2,-0.3 18,-0.1 17,-0.2 -0.966 64.5-123.6-153.4 161.9 31.1 25.6 8.1 45 47 A K E -C 60 0A 35 15,-2.6 15,-3.0 -2,-0.3 2,-0.4 -0.872 19.3-147.6-111.2 151.0 28.0 26.4 10.2 46 48 A I E +C 59 0A 74 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.966 21.3 164.9-118.1 128.7 24.9 28.3 9.1 47 49 A R E -C 58 0A 63 11,-2.0 11,-3.0 -2,-0.4 2,-0.4 -0.981 23.2-145.9-140.1 139.1 22.7 30.5 11.3 48 50 A T E +C 57 0A 61 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.849 22.8 177.6-101.7 132.0 20.1 33.0 10.2 49 51 A I E -C 56 0A 10 7,-3.0 7,-3.3 -2,-0.4 2,-0.4 -0.807 26.2-120.1-124.9 169.9 19.5 36.1 12.3 50 52 A S E -C 55 0A 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.947 20.4-173.6-114.0 132.2 17.4 39.2 12.2 51 53 A L E > -C 54 0A 25 3,-3.2 3,-2.8 -2,-0.4 2,-0.9 -0.947 65.2 -55.7-127.5 111.3 18.9 42.7 11.9 52 54 A E T 3 S- 0 0 98 -2,-0.4 -2,-0.0 1,-0.3 3,-0.0 -0.473 124.2 -20.6 53.8 -97.4 16.3 45.6 12.2 53 55 A N T 3 S+ 0 0 126 -2,-0.9 2,-0.4 -3,-0.0 -1,-0.3 0.283 121.3 93.4-116.8 7.5 14.0 44.6 9.3 54 56 A K E < - C 0 51A 61 -3,-2.8 -3,-3.2 -50,-0.0 2,-0.5 -0.837 65.9-137.5-109.6 140.4 16.4 42.3 7.4 55 57 A T E - C 0 50A 50 -2,-0.4 -50,-2.3 -5,-0.2 -49,-1.4 -0.840 24.8-163.9 -91.1 125.3 17.0 38.6 7.6 56 58 A V E -aC 6 49A 0 -7,-3.3 -7,-3.0 -2,-0.5 2,-0.6 -0.953 10.4-152.7-119.3 118.4 20.7 37.8 7.5 57 59 A K E -aC 7 48A 34 -51,-3.4 -49,-2.8 -2,-0.5 2,-0.5 -0.811 14.7-155.9 -87.9 125.7 22.1 34.3 6.8 58 60 A L E -aC 8 47A 0 -11,-3.0 -11,-2.0 -2,-0.6 2,-0.6 -0.899 8.8-167.2-104.0 125.7 25.5 33.8 8.4 59 61 A Q E -aC 9 46A 31 -51,-2.8 -49,-2.8 -2,-0.5 2,-0.4 -0.967 19.4-168.4-111.5 118.3 28.0 31.3 7.0 60 62 A I E -aC 10 45A 1 -15,-3.0 -15,-2.6 -2,-0.6 2,-0.4 -0.935 16.0-170.7-125.8 126.6 30.7 30.7 9.5 61 63 A W E -a 11 0A 20 -51,-2.2 -49,-2.2 -2,-0.4 -17,-0.1 -0.879 12.0-168.8-108.8 142.4 34.1 28.9 9.4 62 64 A D S S+ 0 0 8 -19,-0.4 2,-0.3 -2,-0.4 -41,-0.1 0.313 77.8 55.5-106.7 1.2 36.3 28.2 12.4 63 65 A T S S- 0 0 72 -20,-0.3 -1,-0.1 -43,-0.1 -50,-0.1 -0.997 85.6-116.1-135.0 138.8 39.3 27.2 10.2 64 66 A A 0 0 32 -2,-0.3 5,-0.2 1,-0.1 4,-0.2 -0.241 360.0 360.0 -68.7 160.6 41.1 29.1 7.4 65 67 A G 0 0 55 3,-1.4 -1,-0.1 2,-0.7 3,-0.1 -0.334 360.0 360.0 -76.3 360.0 41.1 27.9 3.8 66 ! 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 67 77 A S > 0 0 129 0, 0.0 3,-1.7 0, 0.0 -2,-0.7 0.000 360.0 360.0 360.0 167.1 41.2 30.9 -0.0 68 78 A Y T 3 + 0 0 106 1,-0.3 -3,-1.4 -4,-0.2 33,-0.1 0.862 360.0 33.8 -52.9 -41.9 42.9 31.5 3.3 69 79 A Y T > S- 0 0 15 31,-0.2 3,-2.5 -5,-0.2 -1,-0.3 0.283 102.9-131.0 -99.9 8.7 40.3 34.1 4.4 70 80 A R T < - 0 0 56 -3,-1.7 -2,-0.1 1,-0.3 3,-0.1 0.591 56.8 -75.4 62.7 13.6 37.4 32.3 2.6 71 81 A G T 3 S- 0 0 33 1,-0.2 -1,-0.3 2,-0.0 -62,-0.2 0.816 79.7-175.0 60.5 32.2 36.3 35.6 1.0 72 82 A A < - 0 0 2 -3,-2.5 30,-0.3 1,-0.1 -62,-0.2 -0.240 32.6-154.5 -61.6 143.0 34.9 36.6 4.4 73 83 A H S S+ 0 0 58 -64,-2.6 33,-2.4 1,-0.3 2,-0.3 0.692 86.1 23.7 -82.6 -26.8 32.9 39.8 4.9 74 84 A G E -bd 10 106A 0 -65,-1.7 -63,-2.0 31,-0.2 2,-0.5 -1.000 66.1-157.0-144.0 142.1 33.9 39.8 8.5 75 85 A I E -bd 11 107A 0 31,-3.0 33,-2.0 -2,-0.3 2,-0.7 -0.978 6.6-155.6-123.0 123.3 36.8 38.3 10.6 76 86 A I E -bd 12 108A 3 -65,-2.9 -63,-2.8 -2,-0.5 2,-0.7 -0.878 11.6-154.9 -96.9 115.6 36.5 37.7 14.3 77 87 A I E -bd 13 109A 0 31,-2.9 33,-3.0 -2,-0.7 2,-0.4 -0.851 14.4-161.4 -96.1 117.5 39.9 37.7 15.8 78 88 A V E + d 0 110A 0 -65,-3.2 -63,-0.5 -2,-0.7 2,-0.3 -0.809 15.9 172.2-106.2 133.7 40.0 35.6 19.0 79 89 A Y E - d 0 111A 0 31,-2.6 33,-3.2 -2,-0.4 2,-0.6 -0.864 33.9-118.2-124.4 169.6 42.4 35.6 21.9 80 90 A D E > - d 0 112A 7 3,-0.4 3,-2.4 -2,-0.3 7,-0.3 -0.941 14.3-145.9-108.9 118.7 42.3 33.8 25.3 81 91 A V T 3 S+ 0 0 0 31,-2.5 40,-2.8 -2,-0.6 41,-2.1 0.684 101.7 55.2 -62.1 -15.0 42.3 36.3 28.2 82 92 A T T 3 S+ 0 0 37 30,-0.3 2,-0.5 38,-0.3 -1,-0.3 0.434 100.1 66.7 -92.5 0.3 44.2 33.7 30.2 83 93 A D <> - 0 0 60 -3,-2.4 4,-1.2 1,-0.1 -3,-0.4 -0.902 58.4-171.5-132.2 97.7 47.0 33.4 27.5 84 94 A R H > S+ 0 0 98 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.846 87.3 57.8 -56.4 -39.1 49.2 36.5 27.0 85 95 A D H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 103.3 53.0 -60.4 -42.4 50.9 35.0 23.9 86 96 A S H 4 S+ 0 0 1 -3,-0.3 4,-0.4 2,-0.2 -71,-0.3 0.831 111.3 47.9 -62.7 -33.1 47.5 34.6 22.2 87 97 A F H >< S+ 0 0 9 -4,-1.2 3,-1.1 -7,-0.3 4,-0.5 0.936 111.1 47.4 -73.7 -51.4 46.8 38.3 22.9 88 98 A D H >< S+ 0 0 57 -4,-2.7 3,-1.5 1,-0.2 4,-0.4 0.898 106.9 60.0 -52.6 -41.3 50.2 39.6 21.6 89 99 A N T 3X S+ 0 0 51 -4,-2.5 4,-2.2 1,-0.3 3,-0.4 0.649 83.6 79.1 -68.6 -16.5 49.8 37.4 18.5 90 100 A V H <> S+ 0 0 0 -3,-1.1 4,-2.9 -4,-0.4 -1,-0.3 0.856 85.6 63.0 -50.3 -40.3 46.5 39.3 17.6 91 101 A K H <> S+ 0 0 132 -3,-1.5 4,-2.0 -4,-0.5 -1,-0.2 0.890 106.6 42.8 -54.1 -44.4 48.9 42.0 16.3 92 102 A Q H > S+ 0 0 85 -4,-0.4 4,-2.4 -3,-0.4 -2,-0.2 0.918 110.9 53.7 -70.9 -46.1 50.2 39.5 13.7 93 103 A W H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 112.1 46.4 -50.2 -49.0 46.7 38.1 12.8 94 104 A I H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.939 108.2 55.1 -60.4 -49.6 45.6 41.7 12.1 95 105 A Q H X S+ 0 0 85 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.905 112.0 45.0 -49.9 -45.9 48.7 42.6 10.1 96 106 A E H X S+ 0 0 58 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.850 112.0 51.0 -68.0 -41.1 48.0 39.5 7.9 97 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.956 108.5 52.1 -56.2 -52.6 44.2 40.3 7.5 98 108 A D H < S+ 0 0 91 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.742 119.4 36.1 -62.7 -23.6 45.0 43.9 6.5 99 109 A R H < S+ 0 0 159 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.813 130.4 24.3 -95.6 -36.1 47.3 42.7 3.8 100 110 A Y H < S+ 0 0 163 -4,-2.6 -31,-0.2 -5,-0.1 -3,-0.2 0.528 103.5 75.2-119.5 -9.5 45.7 39.5 2.5 101 111 A A S < S- 0 0 20 -4,-2.7 -31,-0.0 -5,-0.3 -33,-0.0 -0.361 101.6 -55.4 -90.8 179.7 41.9 39.6 3.2 102 112 A M > - 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