==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 04-JAN-10 2KSI . COMPND 2 MOLECULE: STEROL CARRIER PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; . AUTHOR K.SINGARAPU,J.T.RADEK,M.TONELLI,Q.LAN,J.L.MARKLEY . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.9 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 . 10 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.6 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 1 0 1 0 0 1 0 1 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 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 226 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.1 2.1 -0.0 -1.2 2 2 A S - 0 0 90 1,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.577 360.0-153.8 -76.9 130.7 4.4 -2.6 -2.8 3 3 A L > - 0 0 67 -2,-0.3 4,-0.8 1,-0.1 -1,-0.0 -0.366 27.0-103.4 -96.0 178.0 7.5 -3.3 -0.8 4 4 A K H >> S+ 0 0 144 1,-0.2 3,-1.6 2,-0.2 4,-0.9 0.981 118.9 54.6 -65.4 -58.9 10.9 -4.6 -1.9 5 5 A S H 3> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.785 97.4 71.4 -46.1 -29.4 10.6 -8.2 -0.6 6 6 A D H 3> S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.930 90.6 55.3 -54.2 -50.0 7.4 -8.2 -2.7 7 7 A E H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 3,-0.6 0.944 111.6 50.7 -57.1 -51.7 6.9 -17.4 -9.1 14 14 A K H 3< S+ 0 0 146 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.833 108.2 54.8 -56.2 -33.5 7.7 -16.0 -12.5 15 15 A R H >X S+ 0 0 88 -4,-2.1 3,-1.6 1,-0.2 4,-0.9 0.851 99.0 60.8 -69.3 -35.2 10.8 -18.2 -12.5 16 16 A L H << S+ 0 0 27 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.833 94.6 63.1 -61.0 -32.8 8.7 -21.3 -11.9 17 17 A E T 3< S+ 0 0 123 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.671 96.2 62.4 -66.2 -15.9 6.9 -20.6 -15.2 18 18 A S T <4 S+ 0 0 52 -3,-1.6 2,-0.2 -4,-0.3 -1,-0.2 0.941 75.4 94.7 -74.7 -50.2 10.2 -21.2 -16.9 19 19 A I S < S- 0 0 48 -4,-0.9 5,-0.1 -3,-0.2 6,-0.0 -0.226 79.5-133.6 -47.8 104.9 10.7 -24.8 -15.8 20 20 A D > - 0 0 107 -2,-0.2 3,-1.5 1,-0.1 -1,-0.1 -0.318 5.7-130.1 -65.0 144.9 9.3 -26.6 -18.9 21 21 A P T 3 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.651 104.2 71.8 -69.8 -15.2 6.9 -29.5 -18.2 22 22 A A T 3 S+ 0 0 90 1,-0.3 2,-0.2 0, 0.0 -2,-0.1 0.482 113.3 21.7 -79.0 -2.3 9.0 -31.7 -20.5 23 23 A N S < S+ 0 0 118 -3,-1.5 -1,-0.3 -4,-0.0 2,-0.2 -0.650 73.7 175.0-168.5 104.6 11.7 -31.7 -17.9 24 24 A R - 0 0 118 -3,-0.3 -4,-0.0 -2,-0.2 3,-0.0 -0.630 14.3-165.6-109.3 169.2 11.2 -31.1 -14.1 25 25 A Q - 0 0 139 -2,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.672 64.6 -25.5-115.5 -78.5 13.6 -31.3 -11.2 26 26 A V + 0 0 52 72,-0.1 2,-0.4 75,-0.1 -1,-0.0 -0.878 56.6 179.9-151.1 113.7 12.0 -31.3 -7.7 27 27 A E + 0 0 77 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.0 -0.944 19.7 132.8-118.4 135.6 8.6 -29.8 -6.8 28 28 A H - 0 0 97 -2,-0.4 2,-0.6 18,-0.1 20,-0.5 -0.947 57.1 -69.0-162.7 179.0 7.1 -29.8 -3.3 29 29 A V - 0 0 72 -2,-0.3 33,-1.0 18,-0.1 32,-0.8 -0.729 51.1-178.5 -86.9 122.1 5.3 -27.6 -0.7 30 30 A Y E -Ab 46 62A 4 16,-0.8 16,-1.6 -2,-0.6 2,-0.4 -0.781 17.6-138.2-117.9 162.3 7.5 -25.0 0.9 31 31 A K E -Ab 45 63A 29 31,-1.8 33,-2.3 -2,-0.3 2,-0.5 -0.971 11.4-167.5-124.5 136.1 7.0 -22.4 3.7 32 32 A F E -Ab 44 64A 20 12,-3.4 12,-1.8 -2,-0.4 2,-0.5 -0.975 3.2-166.7-126.6 121.1 8.3 -18.9 3.7 33 33 A R E -Ab 43 65A 82 31,-2.1 33,-2.4 -2,-0.5 2,-0.8 -0.906 8.3-155.9-109.8 130.9 8.2 -16.7 6.9 34 34 A I E - b 0 66A 4 8,-1.7 7,-1.5 -2,-0.5 8,-0.5 -0.797 17.6-176.2-107.6 91.0 8.7 -12.9 6.8 35 35 A T E -Ab 40 67A 15 -2,-0.8 33,-1.1 31,-0.8 2,-0.8 -0.691 17.0-146.8 -89.3 137.5 10.0 -11.8 10.2 36 36 A Q E > S-A 39 0A 126 3,-2.4 3,-0.8 -2,-0.3 2,-0.8 -0.840 76.8 -31.9-107.2 97.5 10.5 -8.1 10.8 37 37 A G T 3 S- 0 0 66 -2,-0.8 3,-0.1 1,-0.2 -1,-0.1 -0.285 131.6 -32.3 92.1 -50.1 13.4 -7.6 13.2 38 38 A G T 3 S+ 0 0 62 -2,-0.8 2,-0.3 1,-0.4 -1,-0.2 0.292 121.1 76.1-173.8 -23.2 12.8 -10.8 15.1 39 39 A K E < S-A 36 0A 169 -3,-0.8 -3,-2.4 1,-0.1 -1,-0.4 -0.826 83.2-101.6-108.7 146.6 9.1 -11.6 15.2 40 40 A V E +A 35 0A 67 -2,-0.3 -5,-0.2 -5,-0.3 3,-0.1 -0.258 31.0 179.6 -62.3 149.2 7.0 -13.0 12.3 41 41 A V E - 0 0 77 -7,-1.5 2,-0.3 1,-0.5 -6,-0.2 0.508 64.5 -12.5-125.1 -18.3 4.8 -10.5 10.4 42 42 A K E - 0 0 117 -8,-0.5 -8,-1.7 14,-0.0 -1,-0.5 -0.969 62.6-112.4-174.6 165.4 3.2 -12.8 7.8 43 43 A N E -A 33 0A 62 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.806 22.5-164.5-112.7 154.1 3.3 -16.2 6.3 44 44 A W E -A 32 0A 26 -12,-1.8 -12,-3.4 -2,-0.3 2,-0.4 -0.998 2.7-159.1-139.9 142.3 4.1 -17.3 2.7 45 45 A V E -AC 31 54A 9 9,-3.2 2,-0.9 -2,-0.3 9,-0.7 -0.952 15.0-137.4-123.8 141.9 3.6 -20.5 0.7 46 46 A M E -AC 30 53A 4 -16,-1.6 2,-1.9 -2,-0.4 -16,-0.8 -0.824 12.3-159.1-100.6 100.5 5.4 -21.8 -2.4 47 47 A D E >> + C 0 52A 48 5,-1.7 5,-2.6 -2,-0.9 4,-1.1 -0.543 25.0 162.2 -79.3 80.2 2.8 -23.1 -4.9 48 48 A L T 45S+ 0 0 21 -2,-1.9 -1,-0.2 -20,-0.5 -19,-0.1 0.627 73.0 57.1 -73.9 -12.9 5.2 -25.3 -6.9 49 49 A K T 45S+ 0 0 181 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.933 117.5 27.7 -82.1 -52.3 2.1 -27.2 -8.2 50 50 A N T 45S- 0 0 127 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.516 111.2-117.6 -86.9 -6.4 0.2 -24.3 -9.7 51 51 A V T <5S+ 0 0 43 -4,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.938 75.9 107.4 69.7 48.5 3.5 -22.4 -10.3 52 52 A K E < -C 47 0A 133 -5,-2.6 -5,-1.7 -36,-0.1 2,-0.5 -0.928 64.4-127.7-147.7 170.1 2.7 -19.5 -8.1 53 53 A L E +C 46 0A 19 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.1 -0.878 32.6 171.8-129.5 100.4 3.6 -17.9 -4.7 54 54 A V E -C 45 0A 46 -9,-0.7 -9,-3.2 -2,-0.5 2,-0.7 -0.450 36.6-104.3 -99.8 175.1 0.7 -17.1 -2.3 55 55 A E + 0 0 113 -11,-0.3 -11,-0.3 -2,-0.1 2,-0.3 -0.892 65.0 111.0-106.8 111.0 0.6 -16.0 1.3 56 56 A S - 0 0 51 -2,-0.7 2,-0.5 -24,-0.2 -24,-0.4 -0.980 54.3-123.2-167.2 166.6 -0.3 -18.7 3.8 57 57 A D + 0 0 84 -2,-0.3 2,-0.3 -14,-0.2 -12,-0.1 -0.970 41.1 142.6-127.8 118.3 1.0 -20.9 6.6 58 58 A D - 0 0 84 -2,-0.5 2,-1.5 -14,-0.2 -14,-0.1 -0.965 60.7 -80.1-148.5 162.7 0.8 -24.7 6.5 59 59 A A - 0 0 110 -2,-0.3 2,-0.2 2,-0.1 -30,-0.1 -0.488 58.9-179.2 -68.3 91.3 2.7 -27.8 7.5 60 60 A A - 0 0 19 -2,-1.5 -30,-0.2 1,-0.1 3,-0.1 -0.594 40.7-119.4 -93.7 156.2 5.2 -28.0 4.6 61 61 A E S S+ 0 0 128 -32,-0.8 2,-0.4 -2,-0.2 34,-0.3 0.739 105.6 34.2 -63.8 -22.3 7.9 -30.6 4.1 62 62 A A E S-b 30 0A 1 -33,-1.0 -31,-1.8 32,-0.2 2,-0.5 -0.977 72.9-157.1-140.0 124.1 10.4 -27.7 4.2 63 63 A T E -bD 31 93A 25 30,-3.3 30,-3.2 -2,-0.4 2,-0.5 -0.871 8.4-172.3-104.0 128.2 10.2 -24.6 6.3 64 64 A L E -bD 32 92A 17 -33,-2.3 -31,-2.1 -2,-0.5 2,-0.5 -0.954 1.4-173.2-123.8 114.4 12.2 -21.5 5.3 65 65 A T E +bD 33 91A 18 26,-1.4 26,-0.8 -2,-0.5 2,-0.3 -0.911 16.4 151.2-110.2 129.3 12.3 -18.5 7.7 66 66 A M E -b 34 0A 10 -33,-2.4 -31,-0.8 -2,-0.5 24,-0.1 -0.987 39.2-115.3-155.7 144.9 13.9 -15.2 6.6 67 67 A E E >> -b 35 0A 70 -2,-0.3 4,-1.9 -33,-0.2 3,-0.9 -0.379 34.7-107.9 -78.5 158.8 13.6 -11.5 7.4 68 68 A D H >> S+ 0 0 52 -33,-1.1 4,-1.6 1,-0.3 3,-0.6 0.928 120.8 56.2 -49.8 -52.5 12.4 -8.9 4.8 69 69 A D H 3> S+ 0 0 115 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.834 112.9 42.9 -50.1 -35.2 15.9 -7.5 4.6 70 70 A I H <>>S+ 0 0 25 -3,-0.9 4,-3.2 2,-0.2 5,-0.6 0.735 102.5 69.4 -83.6 -24.8 17.1 -11.0 3.7 71 71 A M H S+ 0 0 4 -4,-0.8 5,-3.1 -5,-0.4 6,-0.7 0.983 120.4 26.5 -67.6 -60.0 19.0 -9.9 -0.4 74 74 A I H ><5S+ 0 0 23 -4,-3.2 3,-1.7 3,-0.2 -3,-0.2 0.906 118.0 60.5 -70.8 -43.1 18.8 -13.7 -1.0 75 75 A G H 3< - 0 0 67 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.511 21.9-148.7 -69.8 122.7 25.5 -15.8 -0.2 81 81 A A H > S+ 0 0 15 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.795 98.5 53.2 -60.6 -28.5 22.9 -18.0 1.3 82 82 A K H > S+ 0 0 147 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.973 114.2 36.9 -71.2 -57.1 25.6 -20.1 2.9 83 83 A E H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 6,-0.2 0.910 113.6 59.0 -62.3 -43.7 27.4 -17.2 4.7 84 84 A A H <>S+ 0 0 12 -4,-3.0 5,-1.1 1,-0.2 3,-0.4 0.927 116.2 33.0 -51.0 -51.6 24.1 -15.5 5.5 85 85 A M H ><5S+ 0 0 49 -4,-1.5 3,-1.8 -5,-0.2 5,-0.4 0.769 107.6 71.4 -77.1 -26.9 22.9 -18.5 7.4 86 86 A A H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 93.8 56.1 -57.9 -31.9 26.4 -19.3 8.6 87 87 A Q T 3<5S- 0 0 134 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.1 0.022 118.8-112.5 -90.1 27.6 26.2 -16.2 10.8 88 88 A D T < 5S+ 0 0 136 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.791 83.7 128.9 46.4 30.2 23.1 -17.6 12.5 89 89 A K < + 0 0 142 -5,-1.1 2,-0.3 -6,-0.2 -4,-0.2 0.313 65.0 45.6 -94.4 7.1 21.4 -14.7 10.8 90 90 A M - 0 0 16 -5,-0.4 2,-0.6 -24,-0.1 -24,-0.1 -0.995 66.8-148.3-151.0 144.2 18.7 -17.0 9.3 91 91 A E E +D 65 0A 130 -26,-0.8 -26,-1.4 -2,-0.3 2,-0.4 -0.929 27.4 162.6-119.2 108.9 16.6 -19.8 10.5 92 92 A V E -D 64 0A 36 -2,-0.6 2,-0.4 -28,-0.2 -28,-0.2 -0.975 17.2-168.4-128.2 140.3 15.7 -22.6 8.0 93 93 A D E +D 63 0A 99 -30,-3.2 -30,-3.3 -2,-0.4 2,-0.3 -0.952 41.9 78.8-131.8 113.8 14.4 -26.1 8.6 94 94 A G S S- 0 0 37 -2,-0.4 -32,-0.2 -32,-0.2 2,-0.1 -0.918 83.2 -41.6 167.4 168.0 14.3 -28.6 5.8 95 95 A Q > - 0 0 126 -34,-0.3 4,-2.1 -2,-0.3 5,-0.4 -0.309 49.3-137.2 -54.3 118.6 16.2 -31.1 3.6 96 96 A V H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.892 105.2 50.2 -43.2 -50.2 19.5 -29.5 2.7 97 97 A E H > S+ 0 0 124 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.936 106.2 55.3 -56.2 -50.3 19.1 -30.8 -0.8 98 98 A L H >> S+ 0 0 17 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.930 114.1 39.3 -48.5 -54.1 15.6 -29.4 -1.1 99 99 A I H 3X S+ 0 0 35 -4,-2.1 4,-0.5 1,-0.3 3,-0.4 0.754 110.0 62.2 -69.0 -24.2 16.7 -25.9 -0.2 100 100 A F H 3< S+ 0 0 86 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.651 93.5 64.8 -75.2 -15.4 19.9 -26.5 -2.3 101 101 A L H << S+ 0 0 27 -4,-1.1 -1,-0.2 -3,-1.1 -2,-0.2 0.823 102.5 45.9 -76.0 -32.6 17.6 -26.8 -5.3 102 102 A L H X S+ 0 0 46 -4,-0.6 4,-1.0 -3,-0.4 3,-0.4 0.596 96.5 78.4 -84.6 -12.3 16.4 -23.2 -5.1 103 103 A E H >X S+ 0 0 59 -4,-0.5 3,-1.0 1,-0.2 4,-0.6 0.958 95.9 43.2 -59.7 -53.5 20.0 -22.0 -4.6 104 104 A P H 34 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.578 112.7 56.7 -69.7 -9.2 20.9 -22.3 -8.3 105 105 A F H 3> S+ 0 0 68 -3,-0.4 4,-0.5 -4,-0.2 3,-0.4 0.619 85.6 79.2 -95.8 -17.3 17.6 -20.7 -9.1 106 106 A I H X< S+ 0 0 33 -3,-1.0 3,-1.8 -4,-1.0 -1,-0.1 0.907 88.9 55.9 -56.5 -44.6 18.2 -17.6 -7.0 107 107 A A T 3< S+ 0 0 80 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.862 92.1 71.1 -56.7 -37.5 20.4 -16.1 -9.7 108 108 A S T 34 S+ 0 0 47 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.779 93.9 72.1 -50.7 -27.4 17.5 -16.5 -12.1 109 109 A L << 0 0 14 -3,-1.8 -33,-0.1 -4,-0.5 -101,-0.1 -0.352 360.0 360.0 -86.0 169.5 15.9 -13.6 -10.2 110 110 A K 0 0 193 -103,-0.1 -34,-0.2 -2,-0.1 -1,-0.1 0.233 360.0 360.0-134.0 360.0 16.9 -10.0 -10.2