==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/TRANSFERASE 12-FEB-07 2OV2 . COMPND 2 MOLECULE: RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.UGOCHUKWU,X.YANG,J.M.ELKINS,N.BURGESS-BROWN,G.BUNKOCZI, . 1699 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1266 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 203 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 207 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.9 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 . 8 0.5 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 . 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 . 141 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 431 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.4 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 6 0 2 0 9 14 15 1 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 9 7 12 4 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 . 8 0 8 0 0 8 0 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 8 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 1 A M 0 0 151 0, 0.0 50,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 132.4 -18.6 -1.9 21.4 2 2 A Q E -a 51 0A 99 48,-0.7 50,-3.0 1,-0.0 2,-0.3 -0.315 360.0-161.0 -53.2 144.5 -18.9 -4.6 24.0 3 3 A A E -a 52 0A 42 48,-0.2 2,-0.4 50,-0.0 50,-0.2 -0.995 9.6-160.1-135.6 144.8 -16.4 -7.5 23.5 4 4 A I E -a 53 0A 4 48,-2.4 50,-3.0 -2,-0.3 2,-0.7 -0.989 8.1-152.2-123.5 127.9 -16.4 -11.1 24.8 5 5 A K E -a 54 0A 32 -2,-0.4 71,-2.4 69,-0.2 72,-1.5 -0.911 19.5-179.2 -98.5 112.6 -13.3 -13.4 25.0 6 6 A C E -ab 55 77A 1 48,-2.7 50,-2.4 -2,-0.7 2,-0.4 -0.968 8.7-161.1-114.8 122.6 -14.6 -16.9 24.8 7 7 A V E -ab 56 78A 0 70,-2.4 72,-2.3 -2,-0.5 2,-0.5 -0.902 4.0-152.2-109.6 133.2 -11.9 -19.6 25.0 8 8 A V E +ab 57 79A 0 48,-3.1 50,-1.6 -2,-0.4 2,-0.3 -0.922 21.7 165.3-112.5 125.1 -12.6 -23.2 23.7 9 9 A V E + b 0 80A 0 70,-2.5 72,-2.5 -2,-0.5 2,-0.2 -0.873 11.0 108.5-137.6 163.1 -10.7 -26.3 25.2 10 10 A G - 0 0 0 -2,-0.3 72,-0.1 70,-0.2 4,-0.1 -0.784 60.5 -41.0 147.7 169.0 -10.9 -30.1 25.2 11 11 A D > - 0 0 28 70,-0.5 3,-1.3 78,-0.2 5,-0.3 -0.000 67.7 -84.5 -54.9 157.8 -9.4 -33.3 24.0 12 12 A G T 3 S+ 0 0 40 48,-0.7 -1,-0.1 1,-0.2 47,-0.0 -0.229 112.7 20.2 -50.5 150.0 -8.1 -34.0 20.5 13 13 A A T 3 S+ 0 0 46 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.536 87.3 118.0 63.1 13.0 -10.7 -35.1 18.0 14 14 A V S < S- 0 0 1 -3,-1.3 70,-0.2 -4,-0.1 68,-0.1 0.744 84.6-104.9 -83.6 -22.8 -13.7 -33.7 20.0 15 15 A G S > S+ 0 0 23 -4,-0.2 4,-2.4 66,-0.1 5,-0.2 0.625 70.1 138.7 111.1 19.5 -15.0 -31.2 17.5 16 16 A K H > S+ 0 0 14 -5,-0.3 4,-2.1 2,-0.2 5,-0.2 0.891 78.3 43.4 -61.9 -47.0 -13.9 -27.7 18.8 17 17 A T H > S+ 0 0 25 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.936 113.8 49.5 -69.1 -45.8 -12.9 -26.3 15.4 18 18 A C H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.906 110.8 52.6 -57.0 -39.9 -15.9 -27.7 13.6 19 19 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.945 114.3 40.9 -60.4 -48.6 -18.1 -26.2 16.3 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.907 119.3 44.0 -69.1 -41.4 -16.6 -22.7 16.0 21 21 A I H X S+ 0 0 4 -4,-2.9 4,-2.4 2,-0.2 6,-0.9 0.862 112.6 51.9 -73.8 -36.3 -16.4 -22.7 12.2 22 22 A S H X S+ 0 0 2 -4,-2.8 4,-1.3 -5,-0.3 -2,-0.2 0.918 114.0 44.3 -68.4 -39.8 -19.9 -24.2 11.8 23 23 A Y H < S+ 0 0 7 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.916 121.4 37.1 -66.3 -45.7 -21.4 -21.5 14.0 24 24 A T H < S+ 0 0 11 -4,-2.1 1418,-0.3 -5,-0.2 -2,-0.2 0.845 135.0 18.3 -81.4 -34.0 -19.4 -18.5 12.5 25 25 A T H < S- 0 0 3 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.441 92.1-126.2-117.8 -2.2 -19.4 -19.5 8.8 26 26 A N S < S+ 0 0 85 -4,-1.3 2,-0.4 -5,-0.4 -4,-0.2 0.784 73.1 114.5 52.6 34.2 -22.2 -22.1 8.6 27 27 A A - 0 0 7 -6,-0.9 -2,-0.2 -9,-0.1 -1,-0.2 -0.988 62.6-138.9-127.5 141.6 -19.9 -24.6 7.0 28 28 A F - 0 0 50 1198,-0.5 -10,-0.1 -2,-0.4 -9,-0.1 -0.901 36.4-114.2 -91.4 116.7 -18.7 -27.9 8.4 29 29 A P - 0 0 21 0, 0.0 1196,-0.2 0, 0.0 1195,-0.1 -0.271 18.7-148.9 -51.1 135.4 -15.0 -28.3 7.5 30 30 A G S S+ 0 0 31 1191,-0.1 2,-0.3 1194,-0.1 1455,-0.2 0.754 76.5 56.1 -78.3 -28.0 -14.5 -31.2 5.1 31 31 A E S S- 0 0 68 1193,-0.1 2,-0.8 1453,-0.1 1453,-0.0 -0.819 78.7-129.1-108.3 147.0 -11.0 -32.1 6.4 32 32 A Y + 0 0 94 -2,-0.3 -2,-0.0 362,-0.2 0, 0.0 -0.869 39.2 165.2 -91.0 104.5 -9.9 -33.1 9.9 33 33 A I - 0 0 75 -2,-0.8 360,-0.2 360,-0.2 -2,-0.0 -0.936 33.5-128.9-123.8 104.4 -6.9 -30.8 10.5 34 34 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 358,-0.2 -0.236 26.0-121.8 -53.7 144.9 -5.7 -30.5 14.1 35 35 A T - 0 0 17 23,-0.2 26,-0.4 1,-0.2 25,-0.1 -0.593 26.8-177.7 -88.3 139.8 -5.2 -27.0 15.5 36 36 A V S S- 0 0 21 1412,-0.6 23,-0.4 -2,-0.2 2,-0.2 0.789 79.0 -43.0 -90.5 -61.6 -2.0 -25.4 16.9 37 37 A F E +C 1448 0A 3 1411,-0.8 1411,-2.9 21,-0.2 2,-0.3 -0.833 61.7 177.7-165.5 139.4 -3.9 -22.1 17.7 38 38 A D E -CD1447 57A 6 19,-1.9 19,-2.9 -2,-0.2 2,-0.5 -0.997 13.0-155.9-140.6 147.4 -6.4 -19.9 15.9 39 39 A N E -CD1446 56A 18 1407,-2.1 1406,-1.8 -2,-0.3 1407,-1.6 -0.982 15.3-177.8-124.3 121.9 -8.3 -16.7 16.8 40 40 A Y E -CD1444 55A 0 15,-2.4 15,-3.5 -2,-0.5 2,-0.3 -0.874 8.1-160.2-115.0 153.6 -11.6 -15.8 15.1 41 41 A S E +CD1443 54A 14 1402,-2.6 1402,-2.1 -2,-0.3 2,-0.3 -0.959 13.2 168.9-126.2 149.0 -13.9 -12.8 15.5 42 42 A A E - D 0 53A 0 11,-1.8 11,-2.8 -2,-0.3 2,-0.3 -0.977 28.8-122.6-153.8 150.3 -17.5 -12.3 14.6 43 43 A N E -CD1440 52A 46 1397,-3.2 1397,-2.2 -2,-0.3 2,-0.3 -0.741 26.2-178.0 -92.3 145.5 -20.2 -9.7 15.3 44 44 A V E - D 0 51A 1 7,-2.1 7,-3.0 -2,-0.3 2,-0.6 -0.990 24.6-131.8-139.8 141.5 -23.5 -10.6 17.0 45 45 A M E - D 0 50A 76 -2,-0.3 1392,-2.6 1393,-0.3 2,-0.5 -0.881 25.5-172.5 -95.5 120.8 -26.4 -8.3 17.8 46 46 A V E > S-ED1436 49A 7 3,-3.6 3,-2.0 -2,-0.6 1390,-0.2 -0.965 70.2 -24.9-121.6 113.6 -27.5 -8.7 21.5 47 47 A D T 3 S- 0 0 91 1388,-2.6 -1,-0.1 -2,-0.5 1389,-0.1 0.866 127.2 -49.8 51.8 44.5 -30.7 -7.0 22.5 48 48 A G T 3 S+ 0 0 65 1387,-0.4 -1,-0.3 1,-0.2 1388,-0.1 0.174 120.9 106.4 85.5 -18.7 -30.2 -4.4 19.8 49 49 A K E < S- D 0 46A 77 -3,-2.0 -3,-3.6 1,-0.0 -1,-0.2 -0.800 72.1-120.3-100.6 136.0 -26.6 -3.7 20.7 50 50 A P E - D 0 45A 57 0, 0.0 -48,-0.7 0, 0.0 2,-0.4 -0.489 29.5-168.4 -73.3 136.4 -23.6 -4.9 18.7 51 51 A V E -aD 2 44A 0 -7,-3.0 -7,-2.1 -2,-0.2 2,-0.8 -0.991 18.4-135.2-128.1 136.4 -21.2 -7.2 20.5 52 52 A N E -aD 3 43A 55 -50,-3.0 -48,-2.4 -2,-0.4 2,-0.7 -0.819 19.1-157.9 -93.1 112.0 -17.7 -8.4 19.3 53 53 A L E -aD 4 42A 2 -11,-2.8 -11,-1.8 -2,-0.8 2,-0.5 -0.798 5.0-165.5 -95.9 113.5 -17.3 -12.1 19.9 54 54 A G E -aD 5 41A 13 -50,-3.0 -48,-2.7 -2,-0.7 2,-0.5 -0.879 6.5-160.7-100.1 125.9 -13.6 -13.2 20.1 55 55 A L E -aD 6 40A 0 -15,-3.5 -15,-2.4 -2,-0.5 2,-0.7 -0.933 7.5-160.6-119.7 121.6 -13.1 -16.9 19.8 56 56 A W E -aD 7 39A 50 -50,-2.4 -48,-3.1 -2,-0.5 2,-0.7 -0.886 7.6-163.1-109.8 106.7 -9.9 -18.6 21.0 57 57 A D E -aD 8 38A 0 -19,-2.9 -19,-1.9 -2,-0.7 2,-0.1 -0.826 17.1-166.5 -98.2 106.1 -9.6 -22.1 19.4 58 58 A T - 0 0 2 -50,-1.6 2,-0.5 -2,-0.7 -23,-0.2 -0.401 22.4 -96.4-101.2 171.4 -7.0 -24.1 21.3 59 59 A A - 0 0 3 -23,-0.4 -49,-0.2 5,-0.2 -47,-0.1 -0.722 16.7-166.8 -94.7 123.7 -5.1 -27.3 20.8 60 60 A G + 0 0 14 -2,-0.5 -48,-0.7 -49,-0.2 2,-0.3 0.646 61.9 109.2 -77.0 -18.1 -6.4 -30.6 22.2 61 61 A Q > - 0 0 45 -26,-0.4 3,-1.9 -50,-0.2 -2,-0.1 -0.467 68.8-144.3 -63.1 123.0 -2.9 -32.0 21.5 62 62 A E G > S+ 0 0 129 -2,-0.3 3,-2.3 1,-0.3 4,-0.2 0.801 97.1 71.5 -51.2 -37.3 -1.0 -32.7 24.6 63 63 A D G 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.723 97.3 51.0 -58.9 -20.3 2.1 -31.7 22.7 64 64 A Y G X> S+ 0 0 24 -3,-1.9 4,-2.1 1,-0.2 3,-0.7 0.156 72.5 118.9-103.8 22.7 0.9 -28.1 22.7 65 65 A D T <4 S+ 0 0 46 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.762 75.3 50.3 -57.0 -31.4 0.2 -28.0 26.5 66 66 A R T 34 S+ 0 0 92 -3,-0.3 -1,-0.2 -4,-0.2 4,-0.2 0.796 110.9 48.0 -82.9 -25.5 2.7 -25.2 27.0 67 67 A L T X4 S+ 0 0 5 -3,-0.7 3,-1.6 1,-0.1 4,-0.3 0.861 98.0 73.0 -76.9 -36.8 1.2 -23.0 24.3 68 68 A R G >< S+ 0 0 5 -4,-2.1 3,-2.0 1,-0.3 4,-0.2 0.849 88.0 55.3 -49.9 -52.8 -2.4 -23.4 25.5 69 69 A P G > S+ 0 0 28 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.643 88.0 78.7 -61.6 -13.8 -2.4 -21.3 28.7 70 70 A L G < S+ 0 0 40 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.739 91.3 55.8 -64.0 -20.5 -1.2 -18.2 26.8 71 71 A S G < S+ 0 0 1 -3,-2.0 -1,-0.3 -4,-0.3 -3,-0.1 0.573 93.2 75.7 -79.0 -14.7 -4.8 -17.9 25.6 72 72 A Y X + 0 0 1 -3,-1.6 3,-1.8 -4,-0.2 -2,-0.2 0.833 59.3 103.0 -82.2 -36.4 -6.2 -17.8 29.2 73 73 A P T 3 S+ 0 0 83 0, 0.0 32,-0.1 0, 0.0 31,-0.0 -0.202 97.3 4.3 -52.6 136.9 -5.5 -14.3 30.7 74 74 A Q T 3 S+ 0 0 114 1,-0.2 -69,-0.2 2,-0.1 2,-0.1 0.639 87.0 164.2 63.8 22.6 -8.6 -12.1 30.7 75 75 A T < - 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