==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 25-MAY-04 1TEJ . COMPND 2 MOLECULE: DISINTEGRIN CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS; . AUTHOR S.BILGRAMI,P.KAUR,S.YADAV,M.PERBANDT,C.BETZEL,T.P.SINGH . 125 2 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 36.0 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 . 20 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1.6 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 . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 0 0 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 . 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 2 A S 0 0 122 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.9 -15.6 22.9 12.4 2 3 A V - 0 0 55 71,-0.1 71,-0.2 72,-0.1 72,-0.0 -0.963 360.0-113.9-109.3 136.4 -17.5 21.0 15.0 3 4 A N > - 0 0 41 69,-1.8 3,-1.5 -2,-0.4 71,-0.1 -0.489 27.4-119.5 -65.7 142.1 -15.4 19.0 17.6 4 5 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.685 110.8 53.6 -64.4 -15.4 -16.0 15.3 17.2 5 6 A a T 3 S+ 0 0 9 15,-0.2 9,-2.6 8,-0.1 2,-0.3 0.683 91.6 97.4 -88.2 -19.2 -17.4 14.9 20.7 6 7 A b E < -A 13 0A 6 -3,-1.5 69,-0.1 7,-0.2 3,-0.0 -0.547 57.3-156.2 -82.7 134.3 -20.1 17.6 20.4 7 8 A D E >> -A 12 0A 44 5,-3.0 4,-2.2 -2,-0.3 5,-1.2 -0.893 18.1-165.1 -93.8 104.9 -23.8 17.3 19.5 8 9 A P T 45S+ 0 0 39 0, 0.0 59,-2.2 0, 0.0 62,-0.2 0.567 80.4 59.6 -81.6 -1.5 -24.3 20.8 18.1 9 10 A V T 45S+ 0 0 51 57,-0.2 61,-0.1 3,-0.1 56,-0.1 0.894 122.7 23.8 -87.4 -38.4 -28.1 20.7 18.2 10 11 A I T 45S- 0 0 73 2,-0.2 -1,-0.1 -3,-0.2 75,-0.1 0.685 98.4-132.8 -91.9 -20.6 -28.1 20.2 21.9 11 12 A c T <5S+ 0 0 10 -4,-2.2 60,-0.1 1,-0.3 73,-0.1 0.910 71.2 107.6 52.0 47.4 -24.7 21.7 22.7 12 13 A K E - 0 0 134 -9,-2.6 3,-2.8 1,-0.2 5,-0.1 -0.165 55.0 -68.5 -61.2 158.6 -23.0 13.0 22.0 15 16 A D T 3 S+ 0 0 172 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.146 125.3 18.4 -50.7 129.8 -25.0 10.0 23.1 16 17 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.326 105.7 106.3 89.1 -8.5 -22.7 7.6 24.9 17 18 A E < - 0 0 53 -3,-2.8 -1,-0.3 -12,-0.1 12,-0.2 -0.553 52.4-159.0-107.1 170.8 -19.9 10.2 25.6 18 19 A H - 0 0 96 10,-3.3 2,-0.3 1,-0.3 11,-0.2 0.676 64.2 -2.5-112.4 -42.4 -18.9 12.1 28.8 19 20 A d - 0 0 6 9,-1.7 -1,-0.3 1,-0.1 -5,-0.1 -0.943 45.8-135.2-154.5 168.8 -17.0 15.2 27.9 20 21 A I S S- 0 0 25 1,-0.4 8,-0.3 -2,-0.3 2,-0.3 0.832 74.7 -29.9-104.1 -59.5 -15.6 17.5 25.1 21 22 A S S S+ 0 0 76 53,-0.1 -1,-0.4 7,-0.1 3,-0.1 -0.909 71.2 112.6-152.2 179.6 -12.1 18.6 26.1 22 23 A G S > S- 0 0 36 -2,-0.3 3,-1.5 3,-0.2 33,-0.2 -0.560 76.0 -75.5 122.8 156.7 -10.0 19.4 29.1 23 24 A P T 3 S+ 0 0 82 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 0.749 131.5 45.6 -59.9 -28.5 -6.9 17.9 30.9 24 25 A e T 3 S+ 0 0 1 30,-2.7 7,-2.5 -3,-0.1 2,-0.4 0.019 99.2 83.8-106.9 31.0 -9.1 15.0 32.3 25 26 A d E < +B 30 0B 17 -3,-1.5 2,-0.3 29,-0.3 5,-0.2 -0.980 48.8 172.2-127.9 137.0 -11.0 14.2 29.1 26 27 A N E > S-B 29 0B 89 3,-2.6 3,-1.9 -2,-0.4 -7,-0.1 -0.978 72.5 -8.8-150.4 123.3 -9.6 11.9 26.4 27 28 A N T 3 S- 0 0 136 -2,-0.3 3,-0.1 1,-0.3 -6,-0.1 0.860 128.5 -56.0 52.7 44.0 -11.6 10.7 23.3 28 29 A a T 3 S+ 0 0 16 -8,-0.3 -10,-3.3 1,-0.2 -9,-1.7 0.513 119.3 101.8 72.1 4.7 -14.8 12.2 24.7 29 30 A K E < S-B 26 0B 90 -3,-1.9 -3,-2.6 -11,-0.2 -1,-0.2 -0.889 77.6-104.4-117.3 155.9 -14.5 10.2 28.0 30 31 A F E -B 25 0B 53 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.483 37.7-117.2 -68.8 139.5 -13.4 11.1 31.5 31 32 A L - 0 0 46 -7,-2.5 20,-0.4 22,-0.2 22,-0.2 -0.453 48.1 -82.5 -70.4 153.8 -9.9 9.9 32.6 32 33 A N > - 0 0 132 1,-0.1 3,-1.9 -2,-0.1 19,-0.3 -0.208 51.9 -92.3 -59.7 144.0 -10.0 7.4 35.5 33 34 A S T 3 S+ 0 0 84 17,-0.3 17,-0.2 1,-0.2 -1,-0.1 -0.331 114.0 29.1 -49.5 134.2 -10.2 8.8 39.0 34 35 A G T 3 S+ 0 0 46 15,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.340 79.2 140.8 89.9 -9.9 -6.7 9.2 40.4 35 36 A T < - 0 0 52 -3,-1.9 14,-2.9 14,-0.1 -1,-0.3 -0.550 59.9-116.1 -63.4 130.0 -4.9 9.8 37.1 36 37 A I E +C 48 0C 58 -2,-0.3 12,-0.3 12,-0.2 3,-0.1 -0.549 37.3 175.8 -72.7 124.9 -2.2 12.5 37.7 37 38 A f E + 0 0 35 10,-2.7 2,-0.3 1,-0.3 11,-0.2 0.606 69.6 14.0-106.9 -14.9 -3.1 15.6 35.7 38 39 A Q E S-C 47 0C 106 9,-1.5 9,-2.7 2,-0.0 -1,-0.3 -0.840 70.6-139.1-157.2 125.4 -0.4 17.9 36.9 39 40 A R - 0 0 161 -2,-0.3 2,-0.2 7,-0.2 5,-0.1 -0.554 31.4-112.2 -84.5 140.6 2.8 17.1 38.8 40 41 A A - 0 0 35 -2,-0.2 3,-0.1 3,-0.2 6,-0.1 -0.521 10.5-139.2 -71.7 149.0 3.8 19.5 41.6 41 42 A R S S+ 0 0 241 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.977 91.2 29.9 -68.2 -56.1 6.9 21.7 41.4 42 43 A G S S- 0 0 60 3,-0.1 3,-0.4 0, 0.0 -1,-0.2 -0.922 121.1 -26.4-111.8 126.5 8.0 21.3 45.0 43 44 A D S S- 0 0 158 -2,-0.5 -3,-0.2 1,-0.2 0, 0.0 -0.416 92.6 -53.7 69.3-152.1 7.3 18.1 47.0 44 45 A G S S+ 0 0 46 -2,-0.1 2,-1.4 -5,-0.1 -1,-0.2 0.175 81.8 114.7-127.5 14.1 4.5 15.7 46.5 45 46 A N + 0 0 82 -3,-0.4 14,-0.2 14,-0.1 -4,-0.1 -0.669 47.5 177.2 -87.4 80.1 1.0 17.3 46.5 46 47 A H - 0 0 29 -2,-1.4 2,-0.4 -6,-0.1 -7,-0.2 -0.294 31.6-111.1 -80.1 167.4 0.1 16.5 42.8 47 48 A D E -C 38 0C 24 -9,-2.7 -10,-2.7 12,-0.1 -9,-1.5 -0.872 36.4-163.3-100.8 138.6 -3.3 17.3 41.1 48 49 A Y E -C 36 0C 98 -2,-0.4 -12,-0.2 9,-0.4 -15,-0.1 -0.920 22.1-108.3-124.1 147.1 -5.5 14.3 40.2 49 50 A e - 0 0 5 -14,-2.9 -15,-2.4 -2,-0.3 -14,-0.1 -0.354 21.7-145.2 -66.7 145.2 -8.5 13.6 37.9 50 51 A T - 0 0 47 5,-0.4 -17,-0.3 3,-0.3 -1,-0.1 0.589 26.7-125.9 -83.6 -24.0 -11.8 13.0 39.7 51 52 A G S S+ 0 0 22 -20,-0.4 -21,-0.2 2,-0.4 -18,-0.1 0.290 100.5 59.6 91.2 -14.6 -13.3 10.5 37.3 52 53 A I S S+ 0 0 129 1,-0.1 2,-0.3 -20,-0.1 -20,-0.1 0.277 100.8 43.4-130.7 2.1 -16.5 12.6 36.9 53 54 A T - 0 0 52 -22,-0.2 -2,-0.4 2,-0.2 -3,-0.3 -0.949 67.7-131.4-141.6 165.5 -15.3 16.0 35.5 54 55 A T S S+ 0 0 41 -2,-0.3 -30,-2.7 -24,-0.1 -29,-0.3 0.506 76.1 92.2-100.3 -5.4 -12.9 17.2 32.8 55 56 A D S S- 0 0 74 -32,-0.2 -5,-0.4 -33,-0.2 -2,-0.2 -0.273 77.2-120.8 -79.3 173.2 -11.0 19.8 34.8 56 57 A f - 0 0 35 -7,-0.1 -7,-0.1 -19,-0.1 -2,-0.1 -0.852 35.0-148.2-113.6 94.4 -7.8 19.3 36.8 57 58 A P - 0 0 27 0, 0.0 -9,-0.4 0, 0.0 2,-0.2 -0.311 18.4-104.3 -73.4 143.5 -8.6 20.3 40.3 58 59 A R - 0 0 154 -11,-0.1 -11,-0.1 1,-0.1 -12,-0.1 -0.426 45.2 -97.3 -60.1 130.9 -6.1 21.9 42.8 59 60 A N > - 0 0 23 -14,-0.2 3,-1.0 -2,-0.2 -1,-0.1 -0.212 30.1-141.5 -53.3 128.9 -4.9 19.5 45.4 60 61 A R T 3 S+ 0 0 198 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.529 100.2 63.5 -80.4 -20.7 -7.0 20.1 48.6 61 62 A Y T 3 0 0 204 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.521 360.0 360.0 -73.1 -10.5 -4.1 19.7 51.0 62 63 A N < 0 0 122 -3,-1.0 -1,-0.2 -4,-0.1 -3,-0.2 -0.713 360.0 360.0 96.2 360.0 -3.0 22.7 49.0 63 !* 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 64 1 B N 0 0 184 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-161.7 -31.7 20.6 11.9 65 2 B S - 0 0 89 1,-0.2 2,-0.1 -56,-0.1 0, 0.0 -0.400 360.0 -75.2 -94.9 171.7 -29.0 23.2 12.2 66 3 B V - 0 0 45 -2,-0.1 -57,-0.2 1,-0.1 -1,-0.2 -0.444 65.3 -93.5 -60.9 136.6 -26.6 24.0 15.1 67 4 B N > - 0 0 37 -59,-2.2 3,-1.6 1,-0.1 -1,-0.1 -0.336 30.9-123.7 -54.3 137.0 -28.4 25.7 17.9 68 5 B P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.705 111.7 48.0 -61.0 -20.6 -28.2 29.5 17.5 69 6 B g T 3 S+ 0 0 9 15,-0.2 9,-2.4 8,-0.1 2,-0.3 0.599 96.2 94.4 -91.8 -12.2 -26.7 29.8 21.0 70 7 B c E < -D 77 0D 6 -3,-1.6 -59,-0.1 7,-0.2 3,-0.1 -0.633 60.1-152.9 -92.3 135.2 -24.1 27.0 20.5 71 8 B D E >>> -D 76 0D 45 5,-2.6 4,-2.3 -2,-0.3 3,-1.2 -0.902 12.8-161.2 -98.1 104.9 -20.5 27.3 19.5 72 9 B P T 345S+ 0 0 40 0, 0.0 -69,-1.8 0, 0.0 -66,-0.2 0.720 85.3 64.6 -68.6 -16.0 -19.9 23.9 17.9 73 10 B Q T 345S+ 0 0 120 -71,-0.2 -71,-0.1 1,-0.2 -67,-0.1 0.812 122.2 17.8 -71.1 -29.0 -16.1 24.3 18.2 74 11 B T T <45S- 0 0 61 -3,-1.2 -1,-0.2 2,-0.2 -53,-0.1 0.560 92.9-130.9-114.4 -17.7 -16.4 24.3 22.0 75 12 B b T <5S+ 0 0 5 -4,-2.3 -68,-0.1 1,-0.3 -5,-0.0 0.829 76.5 102.5 54.9 36.6 -19.9 22.8 22.7 76 13 B K E - 0 0 73 -9,-2.4 3,-2.6 5,-0.2 5,-0.1 -0.212 63.9 -79.0 -55.7 145.4 -21.1 31.5 22.3 79 16 B E T 3 S+ 0 0 188 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.229 121.5 23.0 -61.7 129.6 -18.7 33.8 24.2 80 17 B G T 3 S+ 0 0 62 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.187 102.6 103.1 98.4 -22.0 -20.6 36.4 26.1 81 18 B K < - 0 0 79 -3,-2.6 -1,-0.4 -12,-0.1 12,-0.2 -0.502 59.9-148.3 -89.2 168.8 -23.9 34.4 26.2 82 19 B H - 0 0 91 10,-2.9 2,-0.3 1,-0.2 11,-0.2 0.683 63.1 -1.7-105.8 -36.4 -25.1 32.4 29.3 83 20 B h - 0 0 5 9,-1.5 -1,-0.2 1,-0.1 -5,-0.2 -0.963 45.2-133.9-157.8 168.9 -27.0 29.3 28.2 84 21 B I S S- 0 0 29 1,-0.4 2,-0.3 -2,-0.3 8,-0.2 0.860 75.8 -28.8-102.3 -56.7 -28.4 27.2 25.3 85 22 B S S S+ 0 0 80 -75,-0.1 -1,-0.4 7,-0.1 3,-0.1 -0.940 70.8 109.6-152.3 175.7 -32.0 26.3 26.1 86 23 B G S > S- 0 0 36 -2,-0.3 3,-1.8 3,-0.2 33,-0.2 -0.524 75.3 -74.7 126.5 160.7 -34.5 25.7 29.0 87 24 B P T 3 S+ 0 0 83 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 0.734 131.4 45.1 -60.4 -21.2 -37.5 27.3 30.7 88 25 B i T 3 S+ 0 0 0 30,-2.6 7,-2.2 -3,-0.1 2,-0.4 0.054 99.6 83.0-113.9 25.0 -35.2 30.0 32.3 89 26 B h E < +E 94 0E 17 -3,-1.8 2,-0.3 29,-0.3 -3,-0.2 -0.990 49.6 169.5-122.0 133.4 -33.1 30.7 29.2 90 27 B E E > S-E 93 0E 113 3,-2.5 3,-1.7 -2,-0.4 -7,-0.1 -0.987 70.8 -4.0-148.9 129.3 -34.2 33.1 26.5 91 28 B N T 3 S- 0 0 128 -2,-0.3 3,-0.1 1,-0.3 -6,-0.1 0.815 128.7 -59.5 55.4 37.2 -32.1 34.5 23.6 92 29 B g T 3 S+ 0 0 17 1,-0.2 -10,-2.9 -8,-0.2 -9,-1.5 0.641 118.4 102.8 73.8 8.1 -29.1 32.6 25.1 93 30 B Y E < S-E 90 0E 95 -3,-1.7 -3,-2.5 -11,-0.2 2,-0.3 -0.915 78.7-102.0-120.8 157.0 -29.3 34.5 28.4 94 31 B F E -E 89 0E 57 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.592 38.6-120.8 -72.5 134.6 -30.6 33.6 31.9 95 32 B L - 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0 0 26 -2,-1.1 2,-0.4 -7,-0.1 -7,-0.2 -0.676 37.3-110.7 -99.4 164.0 -44.8 28.5 42.5 111 48 B D E -F 102 0F 22 -9,-2.7 -10,-2.5 -2,-0.2 -9,-1.4 -0.801 33.7-162.5 -97.5 140.1 -41.4 27.8 40.9 112 49 B Y E -F 100 0F 95 9,-0.4 -12,-0.2 -2,-0.4 -15,-0.1 -0.949 23.9-105.2-123.3 145.1 -39.1 30.7 40.0 113 50 B i - 0 0 4 -14,-2.9 -15,-2.6 -2,-0.4 -14,-0.2 -0.319 24.0-145.3 -58.7 145.7 -36.1 31.2 37.7 114 51 B T - 0 0 44 5,-0.4 -17,-0.3 3,-0.3 -1,-0.1 0.647 21.1-131.9 -87.7 -25.4 -32.8 31.4 39.7 115 52 B G S S+ 0 0 26 2,-0.4 -21,-0.2 -20,-0.4 -18,-0.1 0.373 99.1 63.0 82.0 -2.7 -30.9 33.9 37.5 116 53 B I S S+ 0 0 128 1,-0.2 -20,-0.1 -20,-0.1 -1,-0.1 0.382 101.6 40.4-130.0 -4.3 -27.9 31.5 37.5 117 54 B T - 0 0 42 -22,-0.2 -2,-0.4 2,-0.2 -3,-0.3 -0.947 68.6-132.7-144.5 159.1 -29.2 28.3 35.8 118 55 B P S S+ 0 0 46 0, 0.0 -30,-2.6 0, 0.0 -29,-0.3 0.497 77.7 86.4 -97.1 -5.3 -31.4 27.6 32.8 119 56 B D S S- 0 0 82 -32,-0.2 -5,-0.4 -33,-0.2 -2,-0.2 -0.252 85.4-107.8 -82.1 177.9 -33.8 25.0 34.3 120 57 B j - 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