==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN COMPLEX 09-NOV-07 2JXB . COMPND 2 MOLECULE: T-CELL SURFACE GLYCOPROTEIN CD3 EPSILON CHAIN, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TAKEUCHI,H.YANG,E.NG,S.PARK,Z.J.SUN,E.L.REINHERZ,G.WAGNER . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 22.1 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 1.2 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-3), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 8 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.7 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+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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 2 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 . 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 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 H 0 0 248 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.2 -10.2 -7.2 23.2 2 2 A M - 0 0 180 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.933 360.0-121.5-156.5 128.7 -8.9 -5.8 19.9 3 3 A K - 0 0 168 -2,-0.3 2,-0.9 1,-0.1 0, 0.0 -0.130 33.6-106.7 -63.3 164.3 -10.2 -3.2 17.5 4 4 A E + 0 0 188 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.823 65.7 123.3-100.5 101.1 -10.8 -4.1 13.8 5 5 A R - 0 0 202 -2,-0.9 0, 0.0 1,-0.0 0, 0.0 -0.983 58.2 -92.1-153.1 160.5 -8.1 -2.5 11.7 6 6 A P - 0 0 76 0, 0.0 76,-0.0 0, 0.0 -1,-0.0 -0.145 52.2 -85.3 -69.8 167.8 -5.4 -3.3 9.2 7 7 A P - 0 0 88 0, 0.0 74,-0.0 0, 0.0 0, 0.0 -0.142 50.8 -89.2 -69.7 168.1 -1.7 -4.0 10.0 8 8 A P - 0 0 102 0, 0.0 73,-0.0 0, 0.0 0, 0.0 -0.028 65.6 -54.1 -69.7 178.1 1.0 -1.3 10.5 9 9 A V - 0 0 29 1,-0.2 2,-2.6 72,-0.0 56,-0.1 -0.194 61.8-101.7 -55.8 144.2 3.3 0.1 7.7 10 10 A P S S- 0 0 14 0, 0.0 -1,-0.2 0, 0.0 70,-0.1 -0.392 75.4 -68.0 -69.7 72.3 5.2 -2.5 5.7 11 11 A N - 0 0 106 -2,-2.6 2,-0.2 1,-0.1 53,-0.1 0.916 65.8-135.7 38.5 84.0 8.5 -2.0 7.5 12 12 A P - 0 0 40 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.446 25.2-176.7 -69.8 135.8 9.3 1.6 6.3 13 13 A D + 0 0 110 -2,-0.2 3,-0.1 1,-0.1 52,-0.0 -0.429 49.2 106.1-131.7 58.6 12.9 2.2 5.2 14 14 A Y S S- 0 0 37 1,-0.4 2,-0.2 63,-0.0 -1,-0.1 0.495 90.9 -1.8-110.9 -10.7 13.0 5.9 4.4 15 15 A N + 0 0 83 -3,-0.1 -1,-0.4 5,-0.1 3,-0.1 -0.867 59.0 134.4-178.0 143.2 15.0 7.0 7.5 16 16 A S + 0 0 122 1,-0.3 4,-0.1 -2,-0.2 2,-0.0 0.279 58.3 78.0-160.0 -46.5 16.5 5.6 10.6 17 17 A L S S- 0 0 137 2,-0.2 -1,-0.3 1,-0.1 0, 0.0 -0.288 77.7-121.4 -75.3 163.5 20.0 6.9 11.2 18 18 A K S S+ 0 0 209 -3,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.960 93.3 73.1 -69.7 -53.3 20.8 10.3 12.6 19 19 A K S S- 0 0 187 1,-0.1 -3,-0.2 -3,-0.0 -2,-0.2 -0.421 78.7-142.1 -66.0 133.6 22.8 11.5 9.6 20 20 A G - 0 0 52 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.479 14.9-164.8 -94.8 167.7 20.7 12.3 6.5 21 21 A S + 0 0 111 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.726 11.0 175.5-112.4 -73.9 21.5 11.7 2.9 22 22 A L + 0 0 157 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.937 6.5 165.6 58.8 97.0 19.2 13.6 0.5 23 23 A V + 0 0 116 3,-0.0 2,-0.7 0, 0.0 -1,-0.1 -0.202 11.2 153.9-134.9 42.8 20.3 13.0 -3.1 24 24 A K + 0 0 165 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.654 25.6 111.0 -78.9 111.9 17.4 14.2 -5.1 25 25 A N + 0 0 125 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 -0.041 42.9 105.2-177.5 56.8 18.7 15.3 -8.6 26 26 A L - 0 0 137 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 -0.996 61.0-115.3-145.9 148.6 17.6 13.0 -11.4 27 27 A H - 0 0 158 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.481 25.9-163.7 -82.4 153.8 15.0 13.1 -14.2 28 28 A M - 0 0 115 -2,-0.1 2,-0.6 2,-0.1 32,-0.0 -0.977 7.4-163.8-143.5 126.4 12.0 10.8 -14.4 29 29 A T + 0 0 111 -2,-0.4 2,-0.3 30,-0.0 -2,-0.0 -0.926 41.4 104.9-114.6 111.7 9.8 10.0 -17.3 30 30 A E - 0 0 135 -2,-0.6 2,-0.2 2,-0.1 -2,-0.1 -0.882 47.7-149.9-179.2 147.3 6.5 8.3 -16.6 31 31 A E + 0 0 181 -2,-0.3 2,-0.3 2,-0.0 28,-0.1 -0.584 44.0 140.9-127.8 69.7 2.7 9.0 -16.4 32 32 A V E -A 58 0A 56 26,-0.7 26,-2.0 -2,-0.2 2,-0.4 -0.771 30.9-158.5-111.1 157.0 1.3 6.6 -13.7 33 33 A I E -A 57 0A 67 -2,-0.3 53,-0.8 24,-0.3 24,-0.2 -0.999 4.2-163.3-138.6 135.5 -1.4 7.2 -11.1 34 34 A V E -A 56 0A 3 22,-1.5 22,-1.4 -2,-0.4 2,-0.4 -0.568 10.5-139.0-109.5 174.8 -2.1 5.3 -7.8 35 35 A I E -A 55 0A 35 20,-0.2 49,-2.7 -2,-0.2 2,-0.6 -0.949 15.5-130.4-141.7 118.2 -5.1 5.2 -5.5 36 36 A A E -AB 54 83A 2 18,-3.1 17,-2.2 -2,-0.4 18,-0.6 -0.532 11.5-151.4 -69.3 112.4 -5.0 5.2 -1.7 37 37 A K S S- 0 0 68 45,-0.8 2,-0.2 -2,-0.6 46,-0.2 0.840 77.9 -6.7 -51.8 -35.4 -7.2 2.3 -0.5 38 38 A W S S- 0 0 142 44,-1.2 2,-0.4 14,-0.2 16,-0.2 -0.760 89.1 -73.8-145.1-169.9 -7.8 4.3 2.6 39 39 A D - 0 0 86 -2,-0.2 2,-0.3 13,-0.1 12,-0.3 -0.790 43.0-172.9 -99.9 139.5 -6.8 7.5 4.5 40 40 A Y - 0 0 39 10,-2.6 2,-0.5 -2,-0.4 10,-0.1 -0.845 18.5-127.8-127.4 164.2 -3.4 7.8 6.3 41 41 A T - 0 0 104 -2,-0.3 2,-0.7 8,-0.2 8,-0.1 -0.953 31.8-107.8-118.0 130.0 -1.8 10.4 8.6 42 42 A A + 0 0 32 -2,-0.5 7,-0.1 1,-0.2 36,-0.1 -0.340 36.4 180.0 -55.6 100.8 1.7 11.8 8.0 43 43 A Q + 0 0 81 -2,-0.7 -1,-0.2 5,-0.2 2,-0.2 0.808 68.1 16.7 -74.3 -30.8 3.7 10.1 10.8 44 44 A Q S S- 0 0 83 -3,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.583 84.9-101.8-127.5-169.9 6.9 11.9 9.7 45 45 A D S S+ 0 0 167 -2,-0.2 -3,-0.0 1,-0.1 -1,-0.0 0.707 119.0 51.6 -89.5 -23.8 8.0 14.9 7.7 46 46 A Q S S+ 0 0 92 30,-0.1 31,-1.2 2,-0.1 -1,-0.1 0.737 99.9 78.8 -83.5 -25.1 9.0 12.8 4.7 47 47 A E B S-c 77 0A 9 29,-0.2 2,-0.3 20,-0.0 31,-0.2 -0.277 72.9-136.8 -79.2 168.6 5.7 11.0 4.6 48 48 A L - 0 0 23 29,-2.2 2,-0.6 -7,-0.1 -5,-0.2 -0.947 15.8-113.6-129.7 150.3 2.5 12.4 3.1 49 49 A D - 0 0 99 -2,-0.3 2,-0.3 -7,-0.1 -8,-0.2 -0.728 36.2-168.7 -86.0 116.7 -1.2 12.4 4.2 50 50 A I - 0 0 7 -2,-0.6 -10,-2.6 -10,-0.1 2,-0.2 -0.761 7.5-144.1-106.1 152.3 -3.4 10.4 1.9 51 51 A K > - 0 0 122 -2,-0.3 3,-1.9 -12,-0.3 -15,-0.2 -0.704 35.0 -79.9-111.3 164.2 -7.2 10.2 1.7 52 52 A K T 3 S+ 0 0 140 1,-0.3 -15,-0.2 -2,-0.2 -14,-0.2 -0.408 116.9 1.2 -64.2 131.5 -9.6 7.4 1.0 53 53 A N T 3 S+ 0 0 126 -17,-2.2 2,-0.3 1,-0.2 -1,-0.3 0.674 97.8 156.2 63.9 16.2 -9.9 6.7 -2.7 54 54 A E E < -A 36 0A 75 -3,-1.9 -18,-3.1 -18,-0.6 2,-0.3 -0.568 28.6-153.5 -77.8 134.9 -7.4 9.5 -3.2 55 55 A R E +A 35 0A 156 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.821 18.0 168.0-110.5 149.6 -5.4 9.5 -6.4 56 56 A L E -A 34 0A 8 -22,-1.4 -22,-1.5 -2,-0.3 2,-0.7 -0.905 42.3 -82.2-148.6 174.9 -1.9 10.9 -7.1 57 57 A W E -AD 33 69A 89 12,-3.0 12,-1.3 -2,-0.3 2,-0.3 -0.765 43.2-131.4 -89.4 113.8 0.9 10.8 -9.7 58 58 A L E +AD 32 68A 9 -26,-2.0 -26,-0.7 -2,-0.7 10,-0.2 -0.476 33.7 168.4 -66.4 121.2 3.1 7.8 -9.2 59 59 A L E - 0 0 56 8,-3.2 2,-0.4 -2,-0.3 9,-0.2 0.877 64.4 -7.4 -96.6 -72.4 6.8 8.9 -9.2 60 60 A D E + D 0 67A 83 7,-1.0 7,-1.6 -32,-0.0 2,-0.5 -0.943 56.9 173.1-136.2 113.2 8.9 6.0 -8.1 61 61 A D + 0 0 62 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.728 38.0 115.4-120.7 81.3 7.5 2.7 -6.8 62 62 A S + 0 0 107 -2,-0.5 -1,-0.1 3,-0.4 4,-0.1 0.766 68.2 46.7-110.4 -50.0 10.4 0.2 -6.3 63 63 A K S S- 0 0 143 2,-0.5 17,-0.1 -3,-0.2 -3,-0.0 -0.287 106.3 -82.2 -88.4 177.2 10.5 -0.5 -2.6 64 64 A T S S+ 0 0 34 -53,-0.1 16,-1.5 -54,-0.1 2,-0.4 0.833 118.8 63.7 -47.6 -36.1 7.7 -1.3 -0.2 65 65 A W E S- E 0 79A 13 14,-0.2 -2,-0.5 -54,-0.1 -3,-0.4 -0.765 75.6-155.7 -96.2 137.6 7.0 2.4 -0.0 66 66 A W E - E 0 78A 53 12,-2.3 12,-1.8 -2,-0.4 2,-0.5 -0.822 7.1-138.6-112.4 151.8 6.0 4.4 -3.1 67 67 A R E +DE 60 77A 52 -7,-1.6 -8,-3.2 -2,-0.3 -7,-1.0 -0.936 29.3 162.9-113.7 126.9 6.3 8.1 -3.9 68 68 A V E -DE 58 76A 2 8,-1.1 8,-1.7 -2,-0.5 2,-0.4 -0.816 27.1-129.6-133.4 173.4 3.6 10.1 -5.5 69 69 A R E -DE 57 75A 87 -12,-1.3 -12,-3.0 -2,-0.3 6,-0.2 -0.980 14.7-146.1-130.6 141.4 2.5 13.7 -6.0 70 70 A N > - 0 0 33 4,-1.8 3,-1.3 -2,-0.4 -14,-0.1 -0.248 40.4 -90.9 -93.0-176.0 -0.8 15.5 -5.4 71 71 A A T 3 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 -15,-0.0 0.577 120.6 71.8 -72.5 -8.8 -2.5 18.3 -7.3 72 72 A A T 3 S- 0 0 68 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.259 114.1-114.4 -89.5 11.6 -0.7 20.7 -4.9 73 73 A N S < S+ 0 0 124 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.671 74.0 139.6 64.0 15.6 2.6 19.9 -6.7 74 74 A R - 0 0 177 -4,-0.0 -4,-1.8 2,-0.0 2,-0.4 -0.701 39.0-156.2 -94.1 144.1 3.7 18.3 -3.4 75 75 A T E + E 0 69A 59 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.966 23.4 146.5-123.4 135.7 5.6 15.1 -3.2 76 76 A G E - E 0 68A 2 -8,-1.7 -8,-1.1 -2,-0.4 2,-0.3 -0.855 40.4 -94.0-150.5-175.2 5.8 12.6 -0.3 77 77 A Y E +cE 47 67A 74 -31,-1.2 -29,-2.2 -2,-0.2 -10,-0.2 -0.809 33.9 175.0-111.6 152.4 6.1 9.0 0.7 78 78 A V E - E 0 66A 2 -12,-1.8 -12,-2.3 -2,-0.3 2,-0.3 -0.991 36.7 -98.2-155.9 147.3 3.4 6.4 1.5 79 79 A P E > - E 0 65A 0 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.505 22.2-143.6 -69.7 124.1 3.0 2.7 2.3 80 80 A S G > S+ 0 0 21 -16,-1.5 3,-0.6 -2,-0.3 -15,-0.1 0.705 99.7 68.7 -59.7 -18.5 2.1 0.6 -0.7 81 81 A N G 3 S+ 0 0 74 1,-0.2 -1,-0.3 -17,-0.1 -16,-0.1 0.822 102.2 42.6 -70.1 -31.8 0.0 -1.4 1.7 82 82 A Y G < S+ 0 0 23 -3,-1.7 -44,-1.2 -45,-0.1 -45,-0.8 0.364 115.0 63.8 -94.6 3.5 -2.4 1.5 2.1 83 83 A V B < -B 36 0A 4 -3,-0.6 -47,-0.3 -4,-0.4 2,-0.2 -0.880 55.2-176.9-126.9 159.0 -2.3 2.2 -1.6 84 84 A E - 0 0 108 -49,-2.7 -3,-0.0 -2,-0.3 -4,-0.0 -0.765 19.9-138.1-160.0 107.8 -3.4 0.3 -4.7 85 85 A R 0 0 152 -2,-0.2 -51,-0.2 -51,-0.2 -30,-0.0 -0.132 360.0 360.0 -61.4 161.1 -2.9 1.5 -8.3 86 86 A K 0 0 195 -53,-0.8 -53,-0.2 0, 0.0 -1,-0.0 -0.998 360.0 360.0-138.4 360.0 -5.7 1.0 -10.8