==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 04-OCT-04 1XMW . COMPND 2 MOLECULE: CHIMERIC CD3 MOUSE EPSILON AND SHEEP DELTA . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS, OVIS ARIES; . AUTHOR Z.-Y.J.SUN,S.T.KIM,I.C.KIM,A.FAHMY,E.L.REINHERZ,G.WAGNER . 178 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 4 2.2 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 . 35 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 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 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 . 3 0 2 3 3 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 1 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 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 D 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.8 -5.8 7.7 13.8 2 2 A D - 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.750 360.0 -8.5-114.4 -57.1 -8.1 4.8 14.7 3 3 A A S S- 0 0 76 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.238 107.8 -79.3-139.9 49.9 -6.6 1.5 13.4 4 4 A E + 0 0 97 1,-0.1 3,-0.2 2,-0.1 0, 0.0 0.932 55.9 174.5 52.6 92.6 -3.7 2.5 11.2 5 5 A N + 0 0 65 1,-0.1 -1,-0.1 17,-0.1 4,-0.1 0.184 54.3 94.0-113.3 16.6 -5.3 3.5 7.9 6 6 A I S S+ 0 0 108 2,-0.1 2,-0.3 17,-0.0 -1,-0.1 0.135 82.5 58.3 -94.3 22.7 -2.1 4.7 6.1 7 7 A E S S- 0 0 41 -3,-0.2 2,-0.4 14,-0.1 66,-0.1 -0.969 90.1 -97.6-145.6 161.2 -1.6 1.3 4.5 8 8 A Y - 0 0 1 -2,-0.3 2,-0.2 64,-0.1 13,-0.2 -0.641 35.2-146.2 -82.4 134.3 -3.4 -1.1 2.1 9 9 A K E -A 20 0A 79 11,-1.5 11,-1.1 -2,-0.4 2,-0.4 -0.611 11.2-154.9 -95.2 158.5 -5.3 -3.9 3.8 10 10 A V E +A 19 0A 28 9,-0.2 2,-0.2 -2,-0.2 9,-0.2 -0.994 20.8 168.0-138.0 138.3 -5.6 -7.4 2.2 11 11 A S E -A 18 0A 53 7,-1.2 7,-1.4 -2,-0.4 2,-0.4 -0.694 11.8-176.5-148.8 90.2 -8.2 -10.2 2.6 12 12 A I E -A 17 0A 53 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.736 5.0-168.4 -92.9 136.4 -8.1 -13.0 0.0 13 13 A S E > -A 16 0A 94 3,-0.8 3,-0.8 -2,-0.4 2,-0.7 -0.943 63.8 -47.3-124.4 110.5 -10.7 -15.8 0.1 14 14 A G T 3 S- 0 0 65 -2,-0.5 66,-0.0 1,-0.2 -2,-0.0 -0.514 130.4 -15.7 67.4-110.4 -10.0 -18.9 -2.0 15 15 A T T 3 S+ 0 0 45 -2,-0.7 36,-2.5 64,-0.1 35,-0.3 -0.128 118.7 98.2-117.1 38.6 -9.1 -17.2 -5.3 16 16 A S E < -A 13 0A 28 -3,-0.8 -3,-0.8 34,-0.2 2,-0.4 -0.886 52.6-160.0-122.1 154.2 -10.4 -13.7 -4.5 17 17 A V E -AB 12 48A 0 31,-0.7 31,-1.1 -2,-0.3 2,-0.7 -0.884 6.7-176.4-140.6 110.3 -8.5 -10.7 -3.3 18 18 A E E -AB 11 47A 69 -7,-1.4 -7,-1.2 -2,-0.4 2,-0.4 -0.884 8.4-175.0-107.6 111.8 -10.1 -7.7 -1.6 19 19 A L E -AB 10 46A 0 27,-1.4 27,-3.1 -2,-0.7 2,-0.7 -0.867 18.3-138.8-106.9 137.0 -7.7 -4.8 -0.7 20 20 A T E -AB 9 45A 12 -11,-1.1 -11,-1.5 -2,-0.4 25,-0.3 -0.811 23.8-120.7 -97.0 116.7 -8.9 -1.8 1.3 21 21 A a - 0 0 2 23,-2.9 2,-1.7 -2,-0.7 -14,-0.1 -0.178 31.1-108.7 -49.5 141.7 -7.5 1.6 -0.0 22 22 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.050 96.8 48.3 -67.4 35.1 -5.5 3.3 2.7 23 23 A L S S- 0 0 32 -2,-1.7 3,-0.1 21,-0.1 -17,-0.0 -0.927 100.4 -59.2-158.0-178.9 -8.3 5.9 3.1 24 24 A D - 0 0 126 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 -0.222 67.3 -85.7 -66.2 161.1 -12.1 6.4 3.5 25 25 A S - 0 0 77 1,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.487 45.1-158.1 -69.2 130.9 -14.4 5.0 0.9 26 26 A D > - 0 0 40 16,-0.2 3,-3.9 -2,-0.2 37,-0.1 -0.940 21.3-139.4-115.6 125.3 -14.9 7.6 -2.0 27 27 A E T 3 S+ 0 0 186 -2,-0.5 15,-0.2 1,-0.3 -1,-0.1 0.819 115.7 33.0 -49.5 -25.8 -18.0 7.5 -4.2 28 28 A N T 3 S+ 0 0 87 2,-0.1 2,-0.5 13,-0.1 -1,-0.3 -0.024 84.6 154.8-118.4 28.0 -15.4 8.3 -6.9 29 29 A L < - 0 0 0 -3,-3.9 2,-0.6 13,-0.7 35,-0.2 -0.407 33.4-150.7 -59.9 109.1 -12.5 6.4 -5.3 30 30 A K E -C 63 0B 70 33,-3.3 33,-2.9 -2,-0.5 2,-0.1 -0.747 11.1-163.1 -89.7 121.9 -10.3 5.6 -8.4 31 31 A W E -CD 62 38B 0 -2,-0.6 7,-1.6 7,-0.5 2,-0.3 -0.403 3.8-150.9 -93.1 174.7 -8.2 2.4 -8.1 32 32 A E E -CD 61 37B 33 29,-1.8 29,-1.2 5,-0.3 2,-0.4 -0.998 8.0-161.0-147.4 150.9 -5.2 1.4 -10.3 33 33 A K E > S-CD 60 36B 85 3,-2.5 3,-0.6 -2,-0.3 27,-0.2 -0.975 77.2 -19.4-137.1 124.8 -3.6 -1.8 -11.5 34 34 A N T 3 S- 0 0 74 25,-2.5 26,-0.1 -2,-0.4 3,-0.1 0.784 133.9 -45.7 53.3 23.7 -0.0 -2.1 -12.9 35 35 A G T 3 S+ 0 0 42 24,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.776 117.8 115.1 90.8 28.3 -0.1 1.7 -13.4 36 36 A Q E < -D 33 0B 115 -3,-0.6 -3,-2.5 2,-0.0 -1,-0.2 -0.957 59.7-136.4-135.1 119.2 -3.6 1.7 -15.0 37 37 A E E -D 32 0B 91 -2,-0.4 -5,-0.3 -5,-0.3 25,-0.1 -0.414 13.6-155.6 -70.7 146.5 -6.7 3.4 -13.4 38 38 A L E > -D 31 0B 15 -7,-1.6 2,-2.9 -2,-0.1 3,-0.5 -0.798 6.1-163.2-128.9 93.5 -9.9 1.4 -13.6 39 39 A P T 3 + 0 0 80 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.352 69.9 83.8 -71.7 67.0 -13.1 3.6 -13.5 40 40 A Q T 3 S+ 0 0 165 -2,-2.9 2,-0.8 1,-0.1 -10,-0.0 0.552 89.0 27.7-131.8 -62.6 -15.3 0.6 -12.6 41 41 A K < + 0 0 72 -3,-0.5 2,-0.5 1,-0.1 -10,-0.1 -0.815 57.2 175.2-110.9 95.4 -15.4 -0.3 -8.9 42 42 A H + 0 0 37 -2,-0.8 -13,-0.7 -15,-0.2 2,-0.3 -0.166 35.4 132.1 -91.1 44.5 -14.7 2.8 -6.8 43 43 A D S S- 0 0 100 -2,-0.5 -22,-0.2 2,-0.3 -2,-0.1 -0.674 71.4-116.2 -95.2 151.2 -15.3 1.0 -3.5 44 44 A K S S+ 0 0 70 -2,-0.3 -23,-2.9 -24,-0.1 2,-0.4 0.827 105.0 60.8 -54.1 -28.6 -12.9 1.3 -0.5 45 45 A H E S-B 20 0A 72 -25,-0.3 2,-0.9 -27,-0.0 -2,-0.3 -0.847 74.0-152.5-104.1 135.9 -12.3 -2.5 -1.0 46 46 A L E -B 19 0A 0 -27,-3.1 -27,-1.4 -2,-0.4 2,-0.4 -0.765 15.8-171.8-106.6 90.8 -10.9 -3.9 -4.2 47 47 A V E -B 18 0A 43 -2,-0.9 2,-0.6 -29,-0.3 -29,-0.3 -0.664 4.7-163.5 -83.9 131.1 -12.2 -7.5 -4.6 48 48 A L E > -B 17 0A 11 -31,-1.1 -31,-0.7 -2,-0.4 3,-0.5 -0.880 6.5-154.1-117.0 102.8 -10.6 -9.5 -7.4 49 49 A Q T 3 S+ 0 0 137 -2,-0.6 3,-0.2 1,-0.2 -33,-0.2 -0.478 80.0 10.1 -73.9 143.4 -12.5 -12.6 -8.4 50 50 A D T 3 S- 0 0 126 -35,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.974 84.3-159.7 53.4 56.5 -10.4 -15.4 -10.0 51 51 A F < - 0 0 0 -36,-2.5 2,-0.9 -3,-0.5 28,-0.5 -0.522 1.9-159.8 -71.7 97.1 -7.1 -13.6 -9.2 52 52 A S > - 0 0 56 -2,-1.3 4,-3.3 -3,-0.2 3,-0.5 -0.662 9.4-152.3 -81.1 107.5 -4.7 -15.2 -11.6 53 53 A E H > S+ 0 0 73 -2,-0.9 4,-0.7 26,-0.3 -1,-0.2 0.810 88.8 73.3 -49.1 -28.4 -1.2 -14.5 -10.2 54 54 A V H 4 S- 0 0 124 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.978 126.0 -5.3 -52.4 -65.5 0.1 -14.6 -13.8 55 55 A E H 4 S+ 0 0 163 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.647 129.5 67.8-105.7 -19.8 -1.3 -11.2 -14.9 56 56 A D H < S+ 0 0 31 -4,-3.3 2,-0.4 -6,-0.1 -3,-0.2 0.528 85.0 90.1 -78.8 -1.5 -3.3 -10.3 -11.7 57 57 A S < + 0 0 30 -4,-0.7 2,-0.3 -5,-0.4 19,-0.2 -0.771 60.1 72.6 -96.7 138.5 0.0 -9.9 -9.8 58 58 A G E S- E 0 75B 7 17,-1.7 17,-2.1 -2,-0.4 2,-0.2 -0.993 83.7 -27.1 159.0-153.1 1.8 -6.5 -9.7 59 59 A Y E - E 0 74B 44 -2,-0.3 -25,-2.5 15,-0.2 2,-0.3 -0.611 51.9-172.6 -93.1 155.2 1.4 -3.1 -8.1 60 60 A Y E +CE 33 73B 15 13,-1.3 13,-1.0 -2,-0.2 2,-0.3 -0.999 10.4 158.2-147.8 143.5 -1.9 -1.6 -7.1 61 61 A V E -C 32 0B 1 -29,-1.2 -29,-1.8 -2,-0.3 2,-0.3 -0.981 18.1-151.6-156.7 167.1 -3.1 1.9 -5.8 62 62 A a E -C 31 0B 3 -2,-0.3 7,-0.3 -31,-0.3 2,-0.3 -0.938 8.8-173.2-141.6 164.5 -6.2 4.1 -5.4 63 63 A Y E -C 30 0B 25 -33,-2.9 -33,-3.3 -2,-0.3 5,-0.2 -0.992 9.0-148.7-154.8 160.6 -7.0 7.8 -5.3 64 64 A T - 0 0 13 3,-1.8 -35,-0.1 -2,-0.3 -39,-0.0 -0.807 36.7-103.0-128.1 170.9 -9.9 10.2 -4.7 65 65 A P S S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -36,-0.0 0.600 124.2 25.2 -70.2 -9.4 -10.9 13.7 -6.0 66 66 A A S S+ 0 0 96 1,-0.2 2,-0.6 0, 0.0 -3,-0.0 0.494 115.5 64.3-129.1 -12.4 -9.7 15.1 -2.6 67 67 A S + 0 0 19 2,-0.0 -3,-1.8 -44,-0.0 2,-0.7 -0.862 54.6 171.9-119.4 102.7 -7.1 12.6 -1.3 68 68 A N + 0 0 115 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.1 -0.876 7.3 160.9-112.1 107.7 -4.0 12.2 -3.4 69 69 A K - 0 0 139 -2,-0.7 2,-1.3 -7,-0.3 -7,-0.2 -0.932 38.0-134.5-126.9 111.3 -1.3 10.0 -1.8 70 70 A N + 0 0 30 -2,-0.5 101,-1.4 99,-0.2 2,-0.4 -0.434 51.5 144.5 -64.8 97.6 1.5 8.5 -3.9 71 71 A T E - f 0 171B 14 -2,-1.3 2,-0.3 -9,-0.2 -9,-0.2 -0.976 28.9-168.3-140.2 127.2 1.4 5.0 -2.6 72 72 A Y E - f 0 172B 60 99,-1.5 101,-4.2 -2,-0.4 2,-0.4 -0.847 5.4-157.4-114.3 151.6 2.0 1.7 -4.5 73 73 A L E -Ef 60 173B 0 -13,-1.0 -13,-1.3 -2,-0.3 2,-1.3 -0.970 11.8-144.6-131.0 122.9 1.4 -1.9 -3.2 74 74 A Y E -Ef 59 174B 24 99,-2.5 101,-2.3 -2,-0.4 2,-0.7 -0.666 24.2-172.8 -85.5 95.4 3.1 -5.0 -4.6 75 75 A L E +Ef 58 175B 1 -17,-2.1 -17,-1.7 -2,-1.3 2,-0.5 -0.786 10.9 169.2 -93.4 118.5 0.3 -7.6 -4.3 76 76 A K E + f 0 176B 67 99,-2.1 101,-2.3 -2,-0.7 2,-0.2 -0.856 9.0 159.4-130.5 99.5 1.4 -11.1 -5.1 77 77 A A - 0 0 7 -2,-0.5 2,-0.5 100,-0.1 -21,-0.1 -0.734 29.8-139.6-115.5 166.8 -1.1 -13.9 -4.3 78 78 A R + 0 0 180 -2,-0.2 2,-0.4 -26,-0.1 -26,-0.1 -0.920 33.6 147.6-131.4 111.6 -1.5 -17.5 -5.6 79 79 A V + 0 0 20 -28,-0.5 -26,-0.3 -2,-0.5 2,-0.1 -0.919 19.4 115.6-145.6 116.4 -4.9 -19.0 -6.4 80 80 A G - 0 0 63 -2,-0.4 2,-0.3 -28,-0.1 -29,-0.0 -0.195 61.0 -73.8-143.3-122.6 -5.5 -21.6 -9.1 81 81 A S - 0 0 103 -2,-0.1 2,-0.5 4,-0.0 -2,-0.0 -0.968 33.9-111.8-156.1 137.7 -6.7 -25.2 -9.0 82 82 A A S S- 0 0 94 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.561 80.7 -42.7 -72.5 118.6 -5.1 -28.6 -8.0 83 83 A D S S- 0 0 149 -2,-0.5 2,-0.2 2,-0.0 0, 0.0 -0.001 94.3 -58.6 52.4-166.8 -4.7 -30.7 -11.2 84 84 A D + 0 0 145 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 -0.487 51.6 161.6-102.2 176.4 -7.7 -30.6 -13.7 85 85 A A + 0 0 96 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.218 57.2 49.2-156.5 -66.5 -11.3 -31.7 -13.1 86 86 A K S S- 0 0 188 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.211 78.8-117.4 -69.9-158.8 -14.0 -30.4 -15.6 87 87 A K - 0 0 188 -3,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.991 22.7-174.8-145.3 153.4 -13.5 -30.7 -19.4 88 88 A D - 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