==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID TRANSPORT/INHIBITOR 27-APR-12 4EWS . COMPND 2 MOLECULE: CETP; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU,X.QIU . 472 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 80.3 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 . 169 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 . 54 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 1 0 1 1 1 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 . 2 3 0 1 3 3 1 1 0 0 0 0 1 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 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 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 5 A T 0 0 161 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.4 -3.9 -10.7 27.3 2 6 A S - 0 0 74 245,-0.1 2,-0.3 246,-0.1 245,-0.2 -0.951 360.0-156.1-135.7 152.1 -3.1 -7.3 25.7 3 7 A H E -A 246 0A 40 243,-2.2 243,-3.6 -2,-0.3 2,-0.5 -0.975 16.1-131.9-137.0 149.4 -2.3 -3.7 27.1 4 8 A E E +A 245 0A 121 -2,-0.3 2,-0.3 241,-0.2 241,-0.2 -0.892 52.8 123.5 -99.8 118.5 -2.4 -0.0 26.0 5 9 A A - 0 0 0 239,-1.7 224,-0.2 -2,-0.5 225,-0.1 -0.935 55.2-146.7-170.4 151.8 0.9 1.8 26.8 6 10 A G S S+ 0 0 3 222,-2.1 256,-2.8 223,-0.4 2,-0.3 0.709 96.0 28.4 -93.3 -29.1 3.7 3.9 25.3 7 11 A I E -BC 228 261B 8 221,-1.9 221,-3.1 254,-0.2 2,-0.3 -0.973 68.2-166.1-132.9 144.3 6.3 2.4 27.8 8 12 A V E -BC 227 260B 0 252,-2.2 252,-2.7 -2,-0.3 2,-0.4 -0.999 3.0-162.0-134.8 135.0 6.4 -1.0 29.6 9 13 A C E -BC 226 259B 18 217,-2.5 217,-2.4 -2,-0.3 2,-0.5 -0.974 5.6-171.4-116.0 128.5 8.5 -2.1 32.6 10 14 A R E -BC 225 258B 5 248,-2.9 248,-2.5 -2,-0.4 2,-0.5 -0.947 5.3-174.4-128.1 112.3 9.1 -5.7 33.5 11 15 A I E -BC 224 257B 56 213,-1.5 213,-3.5 -2,-0.5 246,-0.2 -0.906 21.7-155.2 -98.7 121.7 10.9 -6.8 36.7 12 16 A T E > -B 223 0B 0 244,-1.9 4,-1.7 -2,-0.5 3,-0.4 -0.366 30.5 -96.7 -97.3 176.1 11.4 -10.6 36.7 13 17 A K H > S+ 0 0 63 209,-2.1 4,-2.4 240,-0.3 5,-0.2 0.918 121.9 57.5 -56.8 -45.3 11.9 -13.3 39.5 14 18 A P H > S+ 0 0 46 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.846 106.1 50.6 -57.2 -31.9 15.7 -13.2 39.1 15 19 A A H > S+ 0 0 1 -3,-0.4 4,-2.3 241,-0.2 -2,-0.2 0.946 110.4 48.8 -67.0 -45.9 15.6 -9.4 39.9 16 20 A L H X S+ 0 0 26 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.855 106.4 57.6 -61.7 -36.8 13.5 -10.2 43.1 17 21 A L H < S+ 0 0 89 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.924 109.5 44.0 -61.2 -43.1 15.9 -12.9 44.1 18 22 A V H >< S+ 0 0 42 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.921 113.9 49.7 -67.4 -41.2 18.8 -10.3 44.1 19 23 A L H >< S+ 0 0 58 -4,-2.3 3,-1.9 1,-0.3 4,-0.2 0.761 96.0 73.2 -68.7 -24.2 16.6 -7.7 45.9 20 24 A N G >< S+ 0 0 25 -4,-1.9 3,-0.8 1,-0.3 4,-0.4 0.664 80.5 72.4 -63.9 -18.6 15.6 -10.4 48.6 21 25 A H G < S+ 0 0 138 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.598 101.2 45.0 -72.5 -8.8 19.2 -10.1 50.0 22 26 A E G <> S+ 0 0 6 -3,-1.9 4,-1.3 2,-0.1 3,-0.5 0.392 83.1 95.5-112.1 -4.2 18.1 -6.6 51.4 23 27 A T H <> S+ 0 0 26 -3,-0.8 4,-2.7 1,-0.2 3,-0.4 0.891 82.4 56.2 -54.6 -43.7 14.6 -7.7 52.8 24 28 A A H > S+ 0 0 32 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.856 103.3 54.5 -57.6 -37.7 16.2 -8.2 56.3 25 29 A K H > S+ 0 0 56 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.838 112.4 43.7 -64.3 -36.9 17.4 -4.5 56.2 26 30 A V H X S+ 0 0 22 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.897 114.3 48.2 -75.3 -46.8 13.9 -3.3 55.5 27 31 A I H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.897 111.9 51.5 -62.2 -39.5 12.3 -5.7 58.1 28 32 A Q H X S+ 0 0 76 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.907 110.3 48.3 -61.8 -44.9 15.0 -4.5 60.6 29 33 A T H X S+ 0 0 19 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.900 107.9 56.0 -62.8 -42.7 14.1 -0.8 59.9 30 34 A A H >X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 3,-0.6 0.912 110.3 43.7 -56.8 -46.5 10.3 -1.7 60.3 31 35 A F H >< S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.922 113.1 53.0 -65.2 -41.7 11.0 -3.1 63.8 32 36 A Q H 3< S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.649 109.7 48.9 -68.1 -16.0 13.2 -0.1 64.6 33 37 A R H << S+ 0 0 72 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.668 88.5 105.1 -95.5 -24.4 10.4 2.4 63.5 34 38 A A << - 0 0 11 -4,-1.1 2,-0.6 -3,-0.6 145,-0.1 -0.273 62.6-140.6 -65.6 144.1 7.6 0.9 65.5 35 39 A S - 0 0 87 24,-0.0 24,-0.1 143,-0.0 -1,-0.1 -0.939 12.4-158.8-111.5 107.4 6.3 2.5 68.7 36 40 A Y - 0 0 26 -2,-0.6 22,-0.3 22,-0.4 21,-0.1 -0.793 13.4-143.8 -88.8 110.0 5.5 0.0 71.5 37 41 A P - 0 0 71 0, 0.0 2,-0.1 0, 0.0 137,-0.0 -0.308 30.3 -88.0 -71.6 160.6 3.0 1.5 74.0 38 42 A D - 0 0 85 1,-0.1 2,-0.7 16,-0.0 18,-0.2 -0.419 33.4-138.1 -68.4 141.2 3.3 0.7 77.8 39 43 A I E +H 55 0C 20 16,-1.7 16,-3.0 -2,-0.1 2,-0.3 -0.928 36.8 165.5-103.4 108.3 1.4 -2.5 79.0 40 44 A T E +H 54 0C 91 -2,-0.7 2,-0.3 14,-0.3 14,-0.2 -0.819 5.1 131.9-123.6 163.7 -0.4 -1.6 82.3 41 45 A G E -H 53 0C 21 12,-1.9 12,-2.0 -2,-0.3 2,-0.2 -0.962 39.9-123.7 178.8-172.0 -3.1 -3.1 84.6 42 46 A E E +H 52 0C 84 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.791 33.4 166.3-161.6 108.1 -4.2 -4.1 88.1 43 47 A K E -H 51 0C 72 8,-1.3 8,-1.9 -2,-0.2 2,-0.6 -0.911 41.8-107.1-126.2 156.2 -5.3 -7.7 88.8 44 48 A A E -H 50 0C 72 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.756 39.8-153.1 -82.8 119.9 -6.0 -9.7 92.0 45 49 A M E >> -H 49 0C 23 4,-2.6 4,-2.0 -2,-0.6 3,-1.5 -0.769 32.1 -82.8 -97.1 146.6 -3.1 -12.3 92.2 46 50 A M T 34 S- 0 0 154 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.221 110.5 -12.7 -44.9 121.4 -3.4 -15.6 94.1 47 51 A L T 34 S+ 0 0 179 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.292 129.1 75.0 62.9 -5.4 -2.8 -15.0 97.8 48 52 A L T <4 S- 0 0 38 -3,-1.5 52,-0.6 1,-0.2 51,-0.2 0.627 79.5-153.6-108.4 -20.8 -1.5 -11.4 97.2 49 53 A G E < +H 45 0C 26 -4,-2.0 -4,-2.6 50,-0.1 2,-0.3 -0.461 60.4 14.0 77.7-148.9 -4.6 -9.4 96.4 50 54 A Q E +H 44 0C 60 -6,-0.2 48,-2.0 -2,-0.1 49,-1.1 -0.452 61.4 179.5 -68.5 123.2 -4.4 -6.2 94.2 51 55 A V E -HI 43 97C 0 -8,-1.9 -8,-1.3 -2,-0.3 2,-0.5 -0.967 13.5-156.8-125.0 105.6 -1.1 -5.8 92.3 52 56 A K E +HI 42 96C 131 44,-1.7 44,-1.5 -2,-0.5 -10,-0.3 -0.767 26.6 175.3 -82.4 120.4 -0.9 -2.6 90.1 53 57 A Y E -HI 41 95C 10 -12,-2.0 -12,-1.9 -2,-0.5 2,-0.2 -0.813 20.7-173.4-127.6 170.4 1.7 -3.2 87.4 54 58 A G E -HI 40 94C 1 40,-1.1 40,-2.7 -2,-0.2 2,-0.7 -0.868 19.4-150.4-167.9 129.1 3.3 -1.7 84.2 55 59 A L E -HI 39 93C 5 -16,-3.0 -16,-1.7 -2,-0.2 2,-0.3 -0.913 39.0-176.1 -99.2 106.7 5.7 -2.7 81.5 56 60 A H E + I 0 92C 47 36,-3.1 36,-2.6 -2,-0.7 -2,-0.0 -0.817 46.3 15.9-114.3 156.1 7.3 0.7 80.5 57 61 A N E - 0 0 90 -2,-0.3 2,-0.5 34,-0.2 -1,-0.2 0.866 68.5-165.8 56.1 45.8 9.8 2.0 77.9 58 62 A I E + 0 0 6 -22,-0.3 -22,-0.4 -3,-0.2 2,-0.3 -0.540 19.9 163.7 -65.3 109.6 9.7 -1.1 75.6 59 63 A Q E - I 0 90C 93 31,-1.9 31,-2.9 -2,-0.5 2,-0.3 -0.933 41.4-107.9-126.8 150.8 12.8 -0.7 73.3 60 64 A I E + I 0 89C 41 -2,-0.3 29,-0.3 29,-0.2 3,-0.1 -0.667 31.3 176.5 -83.7 134.6 14.5 -3.2 71.1 61 65 A S E + 0 0 56 27,-4.0 2,-0.3 1,-0.4 28,-0.2 0.550 69.0 15.4-109.8 -20.6 18.0 -4.3 72.4 62 66 A H E - I 0 88C 91 26,-1.4 26,-2.3 2,-0.0 -1,-0.4 -0.960 59.8-177.2-156.2 143.3 18.8 -7.0 69.7 63 67 A L E + I 0 87C 26 -2,-0.3 2,-0.2 24,-0.2 24,-0.2 -0.993 7.7 164.3-143.3 142.4 17.6 -7.9 66.2 64 68 A S E - I 0 86C 45 22,-0.7 22,-3.0 -2,-0.3 2,-0.5 -0.792 18.6-159.4-161.6 115.1 18.5 -10.7 63.8 65 69 A I E - I 0 85C 28 20,-0.3 20,-0.2 -2,-0.2 19,-0.2 -0.850 6.7-161.6 -95.2 127.0 16.7 -12.1 60.7 66 70 A A E - 0 0 65 17,-1.0 2,-0.3 18,-1.0 18,-0.2 0.971 62.9 -27.4 -70.7 -57.3 17.8 -15.6 59.7 67 71 A S E - I 0 83C 52 16,-1.4 16,-2.9 2,-0.0 2,-0.3 -0.981 50.7-151.1-160.7 151.7 16.6 -15.8 56.1 68 72 A S E - I 0 82C 17 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.932 7.5-165.7-128.3 149.4 13.9 -14.5 53.7 69 73 A Q E - I 0 81C 83 12,-2.2 12,-2.8 -2,-0.3 2,-0.4 -0.989 6.6-153.1-135.1 139.9 12.2 -16.0 50.6 70 74 A V E - I 0 80C 19 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.934 11.8-178.8-117.4 138.0 10.1 -14.3 47.9 71 75 A E E - I 0 79C 121 8,-2.0 8,-3.0 -2,-0.4 2,-0.5 -0.998 22.9-134.3-137.6 133.1 7.4 -15.9 45.7 72 76 A L E - I 0 78C 8 -2,-0.4 2,-0.7 149,-0.3 6,-0.2 -0.769 15.9-156.0 -88.2 123.4 5.3 -14.4 43.0 73 77 A V E >> - I 0 77C 40 4,-3.0 3,-1.6 -2,-0.5 4,-0.9 -0.930 28.9-113.1-106.1 110.8 1.6 -15.4 43.3 74 78 A E T 34 S- 0 0 128 -2,-0.7 146,-0.3 1,-0.3 3,-0.0 -0.140 90.4 -11.8 -45.3 125.4 -0.1 -15.1 39.9 75 79 A A T 34 S+ 0 0 94 144,-3.3 -1,-0.3 1,-0.2 145,-0.1 0.285 133.7 66.8 61.6 -2.1 -2.7 -12.3 39.6 76 80 A K T <4 S- 0 0 86 -3,-1.6 49,-0.3 1,-0.3 2,-0.3 0.852 95.1 -50.8-108.8 -78.1 -2.6 -11.9 43.4 77 81 A S E < -I 73 0C 0 -4,-0.9 -4,-3.0 47,-0.1 2,-0.6 -0.909 41.9 -90.7-156.8 179.3 0.6 -10.7 45.3 78 82 A I E -IJ 72 123C 22 45,-2.4 45,-2.6 -2,-0.3 2,-0.7 -0.952 45.6-153.9-104.2 110.5 4.3 -10.7 46.0 79 83 A D E -IJ 71 122C 14 -8,-3.0 -8,-2.0 -2,-0.6 2,-0.5 -0.838 13.2-174.7 -97.9 112.6 4.7 -13.1 49.0 80 84 A V E -IJ 70 121C 24 41,-3.4 41,-3.0 -2,-0.7 2,-0.5 -0.916 5.0-165.4-110.6 129.9 7.7 -12.6 51.3 81 85 A S E -IJ 69 120C 29 -12,-2.8 -12,-2.2 -2,-0.5 2,-0.5 -0.958 0.5-167.2-110.9 129.0 8.5 -15.1 54.1 82 86 A I E -IJ 68 119C 0 37,-2.0 37,-2.8 -2,-0.5 2,-0.4 -0.984 10.4-159.3-117.5 121.4 10.9 -14.2 56.9 83 87 A Q E -I 67 0C 53 -16,-2.9 -16,-1.4 -2,-0.5 -17,-1.0 -0.857 60.0 -0.5-107.0 143.8 12.1 -17.0 59.1 84 88 A D E - 0 0 82 -2,-0.4 -18,-1.0 1,-0.2 2,-1.0 0.911 61.3-176.2 48.8 67.4 13.5 -16.8 62.6 85 89 A V E -IJ 65 117C 0 32,-3.1 32,-1.7 -3,-0.2 2,-0.8 -0.830 17.0-151.1 -89.2 101.3 13.6 -13.0 63.4 86 90 A S E -IJ 64 116C 39 -22,-3.0 -22,-0.7 -2,-1.0 2,-0.4 -0.745 19.8-177.2 -79.8 105.8 15.3 -13.1 66.8 87 91 A V E -IJ 63 115C 0 28,-3.1 28,-3.2 -2,-0.8 2,-0.5 -0.886 14.2-170.2-109.8 136.8 14.0 -10.0 68.8 88 92 A V E -IJ 62 114C 20 -26,-2.3 -27,-4.0 -2,-0.4 -26,-1.4 -0.978 8.8-168.9-129.0 114.4 15.1 -8.9 72.2 89 93 A F E -IJ 60 113C 0 24,-2.6 24,-2.5 -2,-0.5 2,-0.3 -0.719 1.2-163.2 -99.9 151.2 13.1 -6.1 73.9 90 94 A K E +IJ 59 112C 106 -31,-2.9 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