==== 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 IMMUNORECEPTOR 11-APR-97 1AH1 . COMPND 2 MOLECULE: CTLA-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.J.METZLER,J.BAJORATH,W.FENDERSON,S.-Y.SHAW,R.PEACH,K.L.CON . 129 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 29.5 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 . 1 0.8 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 . 14 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 . 0 1 1 0 1 0 3 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 1 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 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 1AA A 0 0 111 0, 0.0 105,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.7 -8.6 7.3 6.1 2 1 A M + 0 0 191 1,-0.1 3,-0.0 2,-0.1 0, 0.0 0.747 360.0 115.0 54.0 22.0 -10.4 5.4 3.2 3 2 A H + 0 0 130 1,-0.1 2,-0.3 22,-0.1 22,-0.2 0.067 62.7 63.5-108.1 26.1 -7.6 6.7 0.9 4 3 A V - 0 0 52 20,-0.2 2,-0.5 2,-0.1 20,-0.2 -0.921 65.4-160.4-149.6 118.9 -6.1 3.3 0.2 5 4 A A + 0 0 39 18,-0.4 18,-2.0 -2,-0.3 103,-0.1 -0.880 22.5 153.8-106.8 128.5 -7.9 0.4 -1.6 6 5 A Q - 0 0 45 -2,-0.5 2,-0.2 16,-0.2 16,-0.1 -0.993 45.7-105.0-149.8 143.6 -6.7 -3.1 -1.3 7 6 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 103,-0.1 -0.462 21.3-141.1 -69.9 136.2 -8.4 -6.6 -1.6 8 7 A A S S+ 0 0 83 -2,-0.2 104,-2.9 103,-0.2 2,-0.3 0.851 84.1 8.8 -68.0 -30.6 -9.0 -8.2 1.8 9 8 A V E -a 112 0A 47 102,-0.3 2,-0.4 81,-0.1 104,-0.2 -0.953 66.3-146.7-144.8 165.3 -8.1 -11.6 0.3 10 9 A V E -a 113 0A 9 102,-2.9 104,-4.2 -2,-0.3 2,-0.4 -0.987 11.7-139.6-139.3 130.6 -6.6 -13.1 -2.9 11 10 A L E -a 114 0A 121 -2,-0.4 8,-0.4 102,-0.2 2,-0.3 -0.721 23.3-155.4 -87.6 129.9 -7.4 -16.4 -4.6 12 11 A A - 0 0 5 102,-1.9 6,-0.2 -2,-0.4 104,-0.2 -0.756 15.7-113.4-106.4 154.8 -4.2 -18.1 -6.1 13 12 A S > - 0 0 68 4,-1.1 3,-0.6 -2,-0.3 103,-0.5 -0.213 38.5 -97.4 -75.2 172.5 -4.0 -20.6 -8.9 14 13 A S T 3 S+ 0 0 78 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.915 126.3 56.8 -59.8 -40.1 -3.0 -24.2 -8.4 15 14 A R T 3 S- 0 0 193 1,-0.1 -1,-0.2 2,-0.1 68,-0.2 0.839 125.9-103.2 -61.0 -29.6 0.6 -23.3 -9.4 16 15 A G < + 0 0 0 -3,-0.6 66,-1.6 66,-0.2 2,-0.9 0.758 63.6 157.6 109.0 41.5 0.6 -20.7 -6.6 17 16 A I E +F 81 0B 45 64,-0.2 -4,-1.1 65,-0.1 2,-0.6 -0.809 11.1 175.2-100.5 102.1 0.1 -17.4 -8.6 18 17 A A E +F 80 0B 0 62,-2.9 62,-3.3 -2,-0.9 2,-0.4 -0.904 6.7 167.7-108.8 114.2 -1.3 -14.8 -6.2 19 18 A S E +F 79 0B 52 -2,-0.6 2,-0.3 -8,-0.4 60,-0.2 -0.984 3.1 151.1-130.8 131.7 -1.6 -11.4 -7.8 20 19 A F E -F 78 0B 12 58,-2.1 58,-2.6 -2,-0.4 2,-0.5 -0.964 34.2-126.9-150.1 164.0 -3.5 -8.3 -6.5 21 20 A V E -F 77 0B 47 -2,-0.3 2,-0.7 56,-0.2 56,-0.2 -0.953 11.9-164.8-123.4 122.4 -3.2 -4.5 -6.7 22 21 A a E -F 76 0B 0 54,-1.7 54,-1.3 -2,-0.5 -16,-0.2 -0.869 16.4-157.0-103.8 108.5 -3.1 -2.1 -3.7 23 22 A E E -F 75 0B 80 -18,-2.0 -18,-0.4 -2,-0.7 2,-0.3 -0.402 9.7-167.5 -81.7 162.6 -3.8 1.5 -4.8 24 23 A Y - 0 0 12 50,-2.2 2,-0.4 -20,-0.2 -20,-0.2 -0.850 16.3-123.1-140.1 176.4 -2.7 4.5 -2.7 25 24 A A + 0 0 46 -2,-0.3 81,-0.1 -22,-0.2 -22,-0.1 -0.985 26.7 174.9-129.8 130.8 -3.3 8.3 -2.6 26 25 A S - 0 0 36 -2,-0.4 79,-0.1 1,-0.1 3,-0.0 -0.940 40.9-120.8-132.8 155.9 -0.6 11.0 -2.8 27 26 A P S S- 0 0 132 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.686 92.3 -24.4 -68.2 -16.9 -0.7 14.9 -3.0 28 27 A G S S- 0 0 40 2,-0.0 2,-0.4 -3,-0.0 0, 0.0 -0.955 82.2 -68.0-172.1-172.0 1.1 14.7 -6.4 29 28 A K + 0 0 185 -2,-0.3 2,-0.3 -3,-0.0 4,-0.0 -0.812 50.1 167.8-100.6 137.3 3.4 12.6 -8.6 30 29 A A - 0 0 34 -2,-0.4 25,-0.6 70,-0.0 3,-0.1 -0.893 45.5-112.0-140.0 170.7 7.1 12.0 -7.6 31 30 A T S S+ 0 0 96 -2,-0.3 2,-0.5 1,-0.2 25,-0.1 0.534 99.7 60.7 -81.1 -8.6 10.0 9.8 -8.6 32 31 A E + 0 0 41 22,-0.1 2,-0.4 23,-0.1 22,-0.2 -0.858 45.6 154.3-129.5 108.3 10.0 7.9 -5.3 33 32 A V - 0 0 2 -2,-0.5 20,-2.4 20,-0.4 64,-0.2 -0.725 30.4-155.6-125.9 80.4 7.1 5.8 -4.1 34 33 A R E -BC 52 96A 89 62,-1.4 62,-3.9 -2,-0.4 2,-0.3 -0.369 13.2-169.7 -60.0 124.6 8.7 3.1 -1.8 35 34 A V E -BC 51 95A 5 16,-3.0 16,-1.7 60,-0.2 2,-0.3 -0.838 4.1-168.4-114.7 154.0 6.5 0.1 -1.6 36 35 A T E -BC 50 94A 12 58,-0.7 58,-1.6 -2,-0.3 2,-0.5 -0.999 11.7-156.2-144.0 141.4 6.8 -2.9 0.8 37 36 A V E -BC 49 93A 7 12,-2.7 11,-1.3 -2,-0.3 12,-0.9 -0.962 19.0-174.0-116.9 124.1 5.2 -6.3 1.1 38 37 A L E -BC 47 92A 23 54,-0.7 54,-1.7 -2,-0.5 2,-0.5 -0.900 18.5-141.3-120.1 153.4 5.2 -8.1 4.5 39 38 A R E -BC 46 91A 96 7,-1.9 7,-1.7 -2,-0.3 2,-0.4 -0.923 17.8-150.8-111.3 124.0 4.1 -11.5 5.7 40 39 A Q E +BC 45 90A 112 50,-1.1 50,-0.6 -2,-0.5 2,-0.3 -0.750 16.6 178.8 -96.3 140.0 2.3 -11.7 9.0 41 40 A A - 0 0 51 3,-0.6 48,-0.0 -2,-0.4 -2,-0.0 -0.937 39.9-115.9-134.0 157.0 2.5 -14.8 11.2 42 41 A D S S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.934 118.2 41.5 -59.8 -43.9 1.0 -15.7 14.7 43 42 A S S S- 0 0 123 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.942 133.5 -33.6 -70.0 -47.3 4.5 -15.9 16.2 44 43 A Q - 0 0 141 2,-0.0 -3,-0.6 0, 0.0 2,-0.4 -0.990 53.6-114.5-165.1 169.5 6.0 -12.8 14.4 45 44 A V E -B 40 0A 71 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.926 29.7-172.0-116.7 140.2 5.9 -10.7 11.2 46 45 A T E -B 39 0A 70 -7,-1.7 -7,-1.9 -2,-0.4 2,-0.1 -0.901 26.0-103.9-130.0 160.6 8.9 -10.3 8.8 47 46 A E E +B 38 0A 147 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.443 37.0 167.5 -80.0 154.9 9.8 -8.2 5.8 48 47 A V E + 0 0 23 -11,-1.3 2,-0.3 1,-0.4 -10,-0.2 0.454 54.0 9.2-130.9 -83.7 9.7 -9.8 2.3 49 48 A b E +B 37 0A 3 -12,-0.9 -12,-2.7 17,-0.1 -1,-0.4 -0.821 59.3 168.1-110.1 149.4 9.9 -7.6 -0.9 50 49 A A E +B 36 0A 42 13,-0.4 2,-0.3 -2,-0.3 13,-0.3 -0.974 4.9 147.8-158.0 141.4 10.6 -3.9 -1.2 51 50 A A E -B 35 0A 6 -16,-1.7 -16,-3.0 -2,-0.3 2,-0.7 -0.986 45.9-100.3-165.8 163.3 11.4 -1.4 -4.0 52 51 A T E -B 34 0A 20 -2,-0.3 2,-1.8 -18,-0.3 -18,-0.3 -0.826 28.8-139.0 -97.4 116.3 11.0 2.3 -5.0 53 52 A Y - 0 0 12 -20,-2.4 2,-0.4 -2,-0.7 -20,-0.4 -0.513 25.8-172.7 -72.9 91.9 8.1 2.8 -7.5 54 53 A M > - 0 0 41 -2,-1.8 3,-2.0 -22,-0.2 -23,-0.2 -0.725 25.2-137.1 -85.0 130.0 9.9 5.4 -9.6 55 54 A M T 3 S+ 0 0 63 -25,-0.6 -1,-0.2 -2,-0.4 -24,-0.1 0.831 106.4 40.7 -59.4 -28.0 7.3 6.7 -12.2 56 55 A G T 3 S+ 0 0 76 -25,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.176 120.5 42.3-104.7 18.7 10.1 6.5 -14.9 57 56 A N S < S- 0 0 105 -3,-2.0 2,-0.3 -26,-0.0 0, 0.0 -0.893 80.8-100.7-149.8-180.0 11.6 3.1 -13.7 58 57 A E - 0 0 128 -2,-0.3 -6,-0.2 -5,-0.1 2,-0.1 -0.756 41.8 -96.3-108.6 156.4 10.7 -0.4 -12.4 59 58 A L - 0 0 17 10,-0.3 2,-0.6 -2,-0.3 10,-0.2 -0.446 33.4-139.6 -70.3 139.9 10.7 -1.8 -8.9 60 59 A T + 0 0 90 -2,-0.1 3,-0.3 1,-0.1 -10,-0.2 -0.881 22.7 176.6-104.6 118.3 13.9 -3.6 -7.8 61 60 A F + 0 0 27 -2,-0.6 6,-0.2 1,-0.2 -10,-0.1 -0.138 35.6 129.3-109.9 37.9 13.4 -6.8 -5.7 62 61 A L > + 0 0 149 -12,-0.1 3,-0.7 2,-0.1 2,-0.5 0.909 62.9 66.4 -59.9 -40.0 17.0 -7.9 -5.5 63 62 A D T 3 S- 0 0 125 1,-0.3 -13,-0.4 -13,-0.3 -15,-0.0 -0.701 127.1 -10.6 -85.7 127.1 16.8 -8.2 -1.7 64 63 A D T 3 S+ 0 0 104 -2,-0.5 -1,-0.3 -15,-0.1 -2,-0.1 0.940 89.9 169.5 52.2 47.5 14.5 -11.0 -0.6 65 64 A S < + 0 0 57 -3,-0.7 -3,-0.1 1,-0.1 -2,-0.1 0.867 30.9 124.2 -57.5-106.9 13.2 -11.4 -4.2 66 67 A I S S+ 0 0 151 1,-0.1 15,-0.3 -5,-0.1 2,-0.3 0.783 74.7 69.5 52.0 22.4 11.0 -14.6 -4.6 67 68 A b - 0 0 31 -6,-0.2 2,-0.4 13,-0.1 13,-0.2 -0.992 66.8-147.6-162.0 158.2 8.4 -12.1 -5.9 68 69 A T E +G 79 0B 67 11,-2.0 11,-3.1 -2,-0.3 2,-0.3 -0.990 19.4 178.8-132.7 140.0 7.6 -9.8 -8.8 69 70 A G E -G 78 0B 8 -2,-0.4 -10,-0.3 9,-0.2 2,-0.3 -0.986 10.6-163.0-142.8 154.1 5.6 -6.5 -8.7 70 71 A T E -G 77 0B 69 7,-4.1 7,-3.0 -2,-0.3 2,-0.4 -0.875 5.9-154.5-130.0 163.5 4.5 -3.7 -11.1 71 72 A S E +G 76 0B 21 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.982 14.8 169.9-143.4 130.0 3.3 -0.2 -10.6 72 73 A S E > -G 75 0B 73 3,-2.6 3,-2.8 -2,-0.4 -17,-0.0 -0.993 60.3 -38.6-142.4 133.9 1.0 2.0 -12.8 73 74 A G T 3 S- 0 0 52 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.292 123.3 -27.2 53.5-124.0 -0.6 5.4 -12.1 74 75 A N T 3 S+ 0 0 84 -3,-0.0 -50,-2.2 2,-0.0 2,-0.5 0.186 123.4 88.2-105.9 16.4 -1.8 5.2 -8.4 75 76 A Q E < -FG 23 72B 98 -3,-2.8 -3,-2.6 -52,-0.2 2,-0.5 -0.952 59.7-158.3-119.9 123.9 -2.2 1.4 -8.4 76 77 A V E -FG 22 71B 4 -54,-1.3 -54,-1.7 -2,-0.5 2,-0.6 -0.834 9.1-153.5 -99.5 130.4 0.7 -1.0 -7.4 77 78 A N E -FG 21 70B 54 -7,-3.0 -7,-4.1 -2,-0.5 2,-0.5 -0.888 10.1-171.7-108.0 118.4 0.4 -4.6 -8.7 78 79 A L E -FG 20 69B 12 -58,-2.6 -58,-2.1 -2,-0.6 2,-0.4 -0.896 1.8-168.4-109.0 132.0 2.2 -7.4 -6.7 79 80 A T E -FG 19 68B 28 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.5 -0.961 2.1-164.2-121.1 132.2 2.3 -11.0 -8.1 80 81 A I E -F 18 0B 14 -62,-3.3 -62,-2.9 -2,-0.4 2,-0.5 -0.947 3.7-172.1-116.4 130.2 3.5 -14.0 -6.0 81 82 A Q E +F 17 0B 104 -2,-0.5 -64,-0.2 -15,-0.3 -65,-0.1 -0.953 64.4 35.6-124.5 120.9 4.5 -17.3 -7.6 82 83 A G + 0 0 44 -66,-1.6 2,-0.8 -2,-0.5 -66,-0.2 0.767 63.7 169.4 111.3 48.7 5.2 -20.5 -5.6 83 84 A L - 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