==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN, PROTEIN BINDING 11-JAN-08 3BX7 . COMPND 2 MOLECULE: CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED ANTIGEN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.L.SCHONFELD,L.CHATWELL,A.SKERRA . 293 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 40 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 0 4 0 1 3 1 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 1 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 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 C M 0 0 17 0, 0.0 105,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.2 75.7 -20.3 -26.7 2 4 C H - 0 0 109 103,-0.1 2,-0.6 157,-0.0 22,-0.1 -0.568 360.0-166.1 -75.4 128.6 74.1 -17.3 -28.6 3 5 C V - 0 0 3 103,-0.4 105,-0.5 -2,-0.4 2,-0.4 -0.962 7.0-161.0-117.9 115.6 70.4 -16.9 -28.1 4 6 C A B +A 22 0A 27 18,-2.4 18,-2.4 -2,-0.6 103,-0.1 -0.786 19.3 154.9-102.3 140.5 68.7 -14.6 -30.5 5 7 C Q - 0 0 30 -2,-0.4 16,-0.1 16,-0.2 103,-0.1 -0.975 49.1 -82.2-156.4 152.4 65.3 -13.0 -30.0 6 8 C P - 0 0 53 0, 0.0 105,-0.1 0, 0.0 3,-0.1 -0.264 31.9-138.3 -56.2 140.0 63.5 -9.8 -31.3 7 9 C A S S+ 0 0 75 1,-0.2 104,-2.4 103,-0.2 2,-0.4 0.859 82.8 21.3 -70.9 -35.0 64.4 -6.6 -29.4 8 10 C V E +e 111 0B 83 102,-0.2 2,-0.3 81,-0.0 -1,-0.2 -0.995 57.0 170.1-143.0 138.3 60.8 -5.3 -29.3 9 11 C V E -e 112 0B 29 102,-2.5 104,-1.7 -2,-0.4 2,-0.6 -0.995 23.3-142.4-141.7 137.6 57.3 -6.7 -29.6 10 12 C L E -e 113 0B 125 -2,-0.3 104,-0.2 102,-0.2 6,-0.1 -0.912 26.9-121.6-103.6 124.0 54.0 -4.9 -28.9 11 13 C A - 0 0 14 102,-2.4 104,-0.3 -2,-0.6 6,-0.2 -0.363 31.4-112.4 -63.5 140.2 51.4 -7.1 -27.2 12 14 C S > - 0 0 49 4,-2.6 3,-2.0 1,-0.1 103,-0.2 -0.029 34.8 -95.1 -62.2 174.7 48.2 -7.3 -29.2 13 15 C S T 3 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.746 129.4 58.2 -66.2 -19.6 45.0 -5.7 -27.9 14 16 C R T 3 S- 0 0 204 2,-0.1 67,-0.5 102,-0.1 -1,-0.3 0.297 123.1-106.5 -92.1 10.1 44.2 -9.2 -26.6 15 17 C G S < S+ 0 0 6 -3,-2.0 67,-2.5 1,-0.2 2,-0.4 0.862 74.0 136.1 70.3 39.1 47.4 -9.2 -24.5 16 18 C I - 0 0 55 64,-0.2 -4,-2.6 65,-0.2 2,-0.4 -0.937 31.0-175.6-124.2 142.6 49.4 -11.6 -26.7 17 19 C A E - B 0 79A 2 62,-2.4 62,-3.1 -2,-0.4 2,-0.4 -1.000 4.2-167.9-135.6 133.6 53.0 -11.6 -28.0 18 20 C S E + B 0 78A 75 -2,-0.4 2,-0.3 60,-0.2 60,-0.2 -0.980 22.1 142.6-127.3 124.7 54.6 -14.2 -30.3 19 21 C F E - B 0 77A 10 58,-1.9 58,-2.5 -2,-0.4 2,-0.4 -0.951 39.1-112.9-151.7 170.2 58.4 -14.4 -31.0 20 22 C V E - B 0 76A 41 -2,-0.3 2,-0.6 56,-0.2 56,-0.2 -0.884 10.4-161.1-115.3 139.2 61.2 -16.8 -31.6 21 23 C a E - B 0 75A 0 54,-2.2 54,-2.0 -2,-0.4 2,-0.3 -0.969 19.7-166.4-117.5 111.5 64.3 -17.6 -29.5 22 24 C E E +AB 4 74A 85 -18,-2.4 -18,-2.4 -2,-0.6 52,-0.2 -0.777 15.4 155.5-102.4 146.8 67.0 -19.2 -31.6 23 25 C Y - 0 0 7 50,-3.3 -20,-0.1 -2,-0.3 50,-0.0 -0.780 46.4 -43.3-149.8-169.1 70.1 -21.1 -30.3 24 26 C A S S- 0 0 26 -2,-0.2 -1,-0.1 1,-0.1 132,-0.1 -0.335 74.1 -84.8 -67.2 147.2 72.7 -23.7 -31.2 25 27 C S - 0 0 49 1,-0.2 -1,-0.1 -3,-0.0 48,-0.1 -0.305 41.8-164.9 -52.9 122.6 71.5 -26.9 -32.9 26 28 C P - 0 0 1 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.779 22.9-141.3 -83.6 -28.6 70.4 -29.2 -30.0 27 29 C G - 0 0 6 1,-0.1 27,-0.5 2,-0.1 220,-0.0 -0.348 30.6 -77.8 89.9-178.0 70.3 -32.4 -31.9 28 30 C K S S+ 0 0 113 25,-0.1 -1,-0.1 -2,-0.1 26,-0.1 0.810 123.0 46.3 -92.8 -31.4 67.6 -35.1 -31.4 29 31 C A S S+ 0 0 5 -3,-0.1 -2,-0.1 24,-0.1 -1,-0.1 0.827 86.2 102.1 -81.3 -32.5 68.8 -36.7 -28.2 30 32 C T - 0 0 2 -4,-0.5 2,-0.6 1,-0.1 24,-0.4 -0.286 67.4-137.2 -60.9 129.0 69.5 -33.6 -26.1 31 33 C E E -F 98 0B 76 67,-3.1 66,-1.9 22,-0.1 67,-1.2 -0.775 26.6-165.8 -87.3 119.4 67.0 -32.6 -23.5 32 34 C V E -FG 96 52B 1 20,-2.9 20,-3.4 -2,-0.6 2,-0.5 -0.868 10.7-161.6-112.1 142.3 66.5 -28.9 -23.7 33 35 C R E -FG 95 51B 33 62,-2.3 62,-2.8 -2,-0.4 2,-0.5 -0.984 2.3-163.4-123.9 127.0 64.8 -26.5 -21.2 34 36 C V E -FG 94 50B 0 16,-2.7 16,-2.0 -2,-0.5 2,-0.4 -0.922 6.9-171.5-109.1 133.0 63.7 -23.1 -22.1 35 37 C T E -FG 93 49B 3 58,-2.7 58,-2.3 -2,-0.5 2,-0.6 -0.991 12.2-149.4-125.4 125.7 62.9 -20.7 -19.3 36 38 C V E -FG 92 48B 0 12,-3.0 11,-3.4 -2,-0.4 12,-1.2 -0.862 16.5-169.1 -98.1 122.6 61.3 -17.3 -19.8 37 39 C L E -FG 91 46B 19 54,-2.6 54,-3.0 -2,-0.6 2,-0.6 -0.912 12.0-145.8-112.2 136.2 62.4 -14.6 -17.3 38 40 C R E -FG 90 45B 49 7,-3.3 7,-2.2 -2,-0.4 2,-0.5 -0.896 12.4-167.5-104.7 120.2 60.7 -11.2 -16.9 39 41 C Q E +FG 89 44B 83 50,-2.9 50,-2.6 -2,-0.6 2,-0.3 -0.930 19.1 154.8-108.3 124.6 63.0 -8.4 -15.9 40 42 C A E > - G 0 43B 21 3,-2.6 3,-2.1 -2,-0.5 48,-0.1 -0.960 67.0 -4.3-151.8 130.6 61.3 -5.1 -14.8 41 43 C D T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.918 129.5 -57.1 52.7 46.1 62.5 -2.3 -12.6 42 44 C S T 3 S+ 0 0 103 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.564 114.4 120.7 63.4 10.3 65.7 -4.3 -12.0 43 45 C Q E < -G 40 0B 123 -3,-2.1 -3,-2.6 2,-0.0 2,-0.5 -0.857 48.6-154.5-107.0 141.7 63.6 -7.2 -10.7 44 46 C V E +G 39 0B 49 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.957 16.1 170.6-121.1 128.3 63.7 -10.7 -12.2 45 47 C T E -G 38 0B 57 -7,-2.2 -7,-3.3 -2,-0.5 2,-0.5 -0.959 35.3-114.5-132.8 151.1 60.9 -13.3 -12.1 46 48 C E E -G 37 0B 73 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.749 27.4-178.4 -87.6 124.0 60.4 -16.7 -13.8 47 49 C V E - 0 0 35 -11,-3.4 18,-0.3 -2,-0.5 2,-0.3 0.870 60.4 -29.9 -87.9 -45.6 57.4 -16.6 -16.2 48 50 C b E -G 36 0B 10 -12,-1.2 -12,-3.0 16,-0.1 -1,-0.3 -0.978 51.6-159.3-167.9 163.4 57.4 -20.1 -17.5 49 51 C A E -G 35 0B 28 -2,-0.3 12,-0.5 -14,-0.2 2,-0.3 -0.992 5.8-177.9-152.7 150.5 59.6 -23.1 -18.4 50 52 C A E -G 34 0B 4 -16,-2.0 -16,-2.7 -2,-0.3 2,-0.4 -0.986 15.0-149.5-152.0 142.3 59.4 -26.2 -20.5 51 53 C T E +G 33 0B 67 8,-0.4 2,-0.3 -2,-0.3 8,-0.3 -0.955 35.5 151.1-113.8 132.6 61.8 -29.1 -21.1 52 54 C Y E -G 32 0B 14 -20,-3.4 -20,-2.9 -2,-0.4 2,-0.3 -0.949 43.9-113.9-154.9 173.1 61.6 -30.8 -24.5 53 55 C M > - 0 0 71 -2,-0.3 3,-1.3 -22,-0.2 17,-0.1 -0.847 57.7 -81.6-109.9 148.3 63.2 -32.7 -27.4 54 56 C M T 3 S+ 0 0 53 -27,-0.5 17,-0.1 -24,-0.4 3,-0.1 -0.193 113.0 24.6 -53.2 135.0 63.7 -31.0 -30.7 55 57 C G T 3 S+ 0 0 51 1,-0.3 2,-0.3 17,-0.2 -1,-0.2 0.520 95.5 115.1 90.5 7.5 60.6 -31.0 -32.9 56 58 C N S < S- 0 0 86 -3,-1.3 14,-2.0 1,-0.0 -1,-0.3 -0.721 71.4-103.8-112.7 161.4 58.0 -31.3 -30.3 57 59 C E B -C 69 0A 156 -2,-0.3 12,-0.3 12,-0.2 2,-0.2 -0.570 49.0-113.6 -74.0 142.5 55.1 -29.1 -29.0 58 60 C L - 0 0 9 10,-2.4 2,-0.6 -2,-0.2 10,-0.4 -0.500 18.5-148.3 -82.4 150.1 56.1 -27.6 -25.7 59 61 C T + 0 0 119 -8,-0.3 -8,-0.4 -2,-0.2 2,-0.2 -0.902 20.1 178.7-121.3 101.0 54.4 -28.5 -22.4 60 62 C F - 0 0 20 -2,-0.6 4,-0.2 6,-0.3 -10,-0.1 -0.528 45.3 -71.8 -92.7 164.8 54.4 -25.6 -19.9 61 63 C L > - 0 0 143 -12,-0.5 3,-1.5 -2,-0.2 -1,-0.2 -0.106 65.8 -84.2 -53.2 155.6 52.8 -25.8 -16.5 62 64 C D T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.356 117.5 19.2 -64.9 143.8 49.0 -25.9 -16.4 63 65 C D T 3 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.656 94.6 154.1 69.0 15.1 47.3 -22.5 -16.6 64 66 C S < - 0 0 33 -3,-1.5 -1,-0.2 -4,-0.2 -16,-0.1 -0.429 50.3-138.0 -74.8 150.9 50.6 -21.2 -17.9 65 67 C I S S+ 0 0 58 -18,-0.3 15,-2.6 -2,-0.1 2,-0.3 0.510 80.0 83.2 -85.8 -4.4 50.6 -18.1 -20.1 66 68 C b E + D 0 79A 4 13,-0.2 2,-0.3 -5,-0.2 -6,-0.3 -0.796 46.8 162.9-106.7 145.1 53.2 -19.7 -22.4 67 69 C T E + D 0 78A 70 11,-1.7 11,-2.2 -2,-0.3 2,-0.3 -0.943 16.3 129.4-145.9 161.1 52.7 -22.0 -25.4 68 70 C G E - D 0 77A 13 -10,-0.4 -10,-2.4 -2,-0.3 2,-0.3 -0.992 39.5-110.0 171.6-177.5 54.9 -23.0 -28.2 69 71 C T E -CD 57 76A 64 7,-1.5 7,-3.1 -2,-0.3 2,-0.5 -0.945 19.7-132.0-139.4 157.3 56.7 -25.4 -30.4 70 72 C S E + D 0 75A 5 -14,-2.0 2,-0.3 -2,-0.3 5,-0.2 -0.952 29.9 166.4-112.8 129.9 60.3 -26.5 -31.0 71 73 C S E > - D 0 74A 52 3,-2.2 3,-1.6 -2,-0.5 -17,-0.1 -0.973 58.1 -42.4-146.1 128.2 61.6 -26.7 -34.5 72 74 C G T 3 S- 0 0 42 -2,-0.3 -17,-0.2 1,-0.2 -45,-0.1 -0.274 123.9 -15.8 55.4-127.2 65.2 -27.0 -35.5 73 75 C N T 3 S+ 0 0 61 -48,-0.1 -50,-3.3 -47,-0.1 2,-0.3 -0.074 124.1 67.0-100.5 33.4 67.4 -24.7 -33.4 74 76 C Q E < -BD 22 71A 50 -3,-1.6 -3,-2.2 -52,-0.2 2,-0.4 -0.969 64.4-135.5-150.3 163.2 64.6 -22.6 -32.1 75 77 C V E -BD 21 70A 0 -54,-2.0 -54,-2.2 -2,-0.3 2,-0.8 -0.983 19.2-147.1-120.3 132.0 61.5 -22.3 -29.9 76 78 C N E -BD 20 69A 40 -7,-3.1 -7,-1.5 -2,-0.4 2,-0.3 -0.894 27.8-168.6-102.9 106.4 58.5 -20.5 -31.2 77 79 C L E -BD 19 68A 3 -58,-2.5 -58,-1.9 -2,-0.8 2,-0.4 -0.706 22.9-172.6-106.1 151.0 56.8 -18.9 -28.3 78 80 C T E -BD 18 67A 37 -11,-2.2 -11,-1.7 -2,-0.3 2,-0.5 -0.994 8.1-166.0-136.7 124.2 53.5 -17.1 -27.6 79 81 C I E +BD 17 66A 0 -62,-3.1 -62,-2.4 -2,-0.4 -13,-0.2 -0.967 16.1 176.9-114.1 123.8 52.8 -15.4 -24.3 80 82 C Q + 0 0 92 -15,-2.6 -64,-0.2 -2,-0.5 -65,-0.1 -0.612 50.0 54.9-118.2 179.7 49.2 -14.5 -23.6 81 83 C G S S+ 0 0 49 -67,-0.5 -65,-0.2 1,-0.2 -1,-0.1 0.630 71.3 160.3 72.2 14.5 47.3 -13.0 -20.7 82 84 C L - 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