==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 26-JUN-13 4LFH . COMPND 2 MOLECULE: 9C2 TCR DELTA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.P.ULDRICH,J.LE NOURS,D.G.PELLICCI,S.GRAS,J.ROSSJOHN,D.I.GO . 424 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 37.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 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 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 PARALLEL BRIDGES PER LADDER . 2 2 8 4 5 4 3 0 1 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 3 0 2 2 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 D Q 0 0 107 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 133.3 -14.2 1.9 -24.7 2 6 D K E -A 25 0A 118 23,-1.6 23,-2.0 102,-0.1 2,-0.4 -0.970 360.0-158.7-142.6 153.3 -17.9 2.6 -25.4 3 7 D V E -A 24 0A 19 102,-0.3 2,-0.4 -2,-0.3 21,-0.2 -0.998 11.5-164.9-133.6 128.3 -20.7 1.0 -27.4 4 8 D T E -A 23 0A 74 19,-3.4 19,-2.5 -2,-0.4 2,-0.7 -0.975 14.7-175.4-126.7 122.1 -23.9 2.9 -28.5 5 9 D Q - 0 0 16 -2,-0.4 17,-0.1 17,-0.2 102,-0.1 -0.927 11.0-173.3-110.7 93.6 -27.1 1.4 -29.8 6 10 D A + 0 0 90 -2,-0.7 2,-0.2 103,-0.0 -1,-0.2 0.874 61.1 76.0 -59.1 -46.3 -29.1 4.5 -30.8 7 11 D Q - 0 0 44 14,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.497 54.4-173.0 -72.7 135.2 -32.4 2.8 -31.6 8 12 D S S S+ 0 0 101 1,-0.3 102,-2.6 -2,-0.2 2,-0.3 0.775 73.0 6.0 -94.1 -35.6 -34.5 1.6 -28.6 9 13 D S E -f 110 0B 69 100,-0.2 -1,-0.3 78,-0.0 2,-0.3 -0.979 59.6-171.3-148.6 153.6 -37.1 -0.3 -30.7 10 14 D V E -f 111 0B 29 100,-1.9 102,-2.5 -2,-0.3 2,-0.4 -0.987 6.8-158.5-147.3 143.0 -37.8 -1.2 -34.4 11 15 D S E +f 112 0B 56 -2,-0.3 102,-0.2 100,-0.2 100,-0.0 -0.995 19.0 157.2-131.0 129.0 -40.8 -2.8 -36.2 12 16 D M E -f 113 0B 78 100,-1.5 102,-2.3 -2,-0.4 6,-0.1 -0.985 38.0-108.0-144.0 148.0 -40.9 -4.7 -39.5 13 17 D P E > -f 114 0B 27 0, 0.0 3,-1.2 0, 0.0 67,-0.3 -0.313 47.2 -80.4 -76.3 164.1 -43.3 -7.3 -41.0 14 18 D V T 3 S+ 0 0 23 100,-2.0 67,-0.2 1,-0.2 3,-0.1 -0.191 115.2 21.5 -58.3 151.3 -42.6 -11.1 -41.5 15 19 D R T 3 S+ 0 0 156 65,-3.4 64,-0.4 1,-0.2 -1,-0.2 0.145 109.3 97.8 70.0 -13.9 -40.5 -12.2 -44.6 16 20 D K S < S- 0 0 123 -3,-1.2 64,-2.8 63,-0.2 2,-0.3 -0.022 73.8-108.4 -87.7-168.7 -39.1 -8.6 -44.7 17 21 D A - 0 0 50 62,-0.2 2,-0.3 61,-0.2 61,-0.2 -0.985 19.3-162.6-132.9 147.5 -35.7 -7.3 -43.2 18 22 D V E -B 77 0A 5 59,-2.0 59,-2.9 -2,-0.3 2,-0.4 -0.923 8.1-152.1-123.8 144.7 -34.6 -5.1 -40.3 19 23 D T E -B 76 0A 64 -2,-0.3 2,-0.6 57,-0.2 57,-0.2 -0.987 7.4-159.5-118.6 124.9 -31.1 -3.4 -39.8 20 24 D L E -B 75 0A 0 55,-3.6 55,-2.9 -2,-0.4 2,-0.1 -0.935 15.0-144.5-108.8 116.8 -29.9 -2.7 -36.2 21 25 D N + 0 0 74 -2,-0.6 2,-0.3 53,-0.3 -14,-0.2 -0.414 19.0 178.2 -83.6 156.9 -27.2 0.0 -35.9 22 26 D a - 0 0 2 -17,-0.1 51,-2.4 -2,-0.1 2,-0.4 -0.897 8.4-168.7-159.6 131.7 -24.2 0.2 -33.5 23 27 D L E -AC 4 72A 98 -19,-2.5 -19,-3.4 -2,-0.3 2,-0.3 -0.957 13.0-176.8-124.0 136.7 -21.4 2.6 -33.0 24 28 D Y E -A 3 0A 12 47,-1.5 2,-0.4 -2,-0.4 -21,-0.2 -0.876 20.5-150.6-133.5 164.8 -18.3 2.1 -30.9 25 29 D E E +A 2 0A 112 -23,-2.0 -23,-1.6 -2,-0.3 2,-0.3 -0.985 27.0 164.1-136.2 115.5 -15.0 3.8 -29.6 26 30 D T - 0 0 12 -2,-0.4 -2,-0.0 -25,-0.2 5,-0.0 -0.999 36.0-157.3-141.7 140.0 -11.9 1.7 -28.8 27 31 D S + 0 0 104 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.725 67.8 107.5 -79.3 -26.6 -8.2 2.4 -28.3 28 32 D W - 0 0 108 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.171 63.8-146.5 -55.0 144.3 -7.3 -1.3 -29.2 29 33 D W S S+ 0 0 245 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.951 85.2 25.6 -79.4 -54.8 -5.6 -1.9 -32.6 30 34 D S S S+ 0 0 58 66,-0.0 -1,-0.3 23,-0.0 2,-0.2 -0.944 81.3 150.6-115.5 131.1 -7.2 -5.3 -33.5 31 35 D Y - 0 0 20 -2,-0.4 21,-1.8 -3,-0.1 2,-0.3 -0.817 34.8-118.5-147.3-177.4 -10.6 -6.3 -31.9 32 36 D Y E -G 51 0B 50 63,-1.5 61,-3.1 -2,-0.2 2,-0.4 -0.986 12.0-154.7-134.6 146.3 -13.8 -8.4 -32.3 33 37 D I E -GH 50 92B 1 17,-2.8 17,-3.0 -2,-0.3 2,-0.3 -0.946 14.0-169.7-119.3 138.0 -17.6 -7.4 -32.4 34 38 D F E -GH 49 91B 0 57,-2.9 57,-3.1 -2,-0.4 2,-0.4 -0.962 12.1-148.7-129.7 147.5 -20.3 -9.8 -31.3 35 39 D W E -GH 48 90B 1 13,-2.6 12,-2.8 -2,-0.3 13,-1.1 -0.980 18.0-172.7-120.3 126.3 -24.1 -9.7 -31.7 36 40 D Y E -GH 46 89B 0 53,-3.0 53,-2.4 -2,-0.4 2,-0.4 -0.853 16.7-144.2-115.5 155.2 -26.4 -11.3 -29.1 37 41 D K E -GH 45 88B 24 8,-2.4 8,-3.1 -2,-0.3 2,-0.6 -0.970 12.8-155.5-117.4 122.5 -30.1 -12.0 -28.9 38 42 D Q E -GH 44 87B 11 49,-3.9 49,-2.1 -2,-0.4 6,-0.2 -0.940 10.5-147.0-107.1 119.8 -31.8 -11.7 -25.5 39 43 D L > - 0 0 36 4,-2.4 3,-2.3 -2,-0.6 47,-0.1 -0.361 28.0-111.1 -74.3 157.7 -35.1 -13.6 -25.1 40 44 D P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 46,-0.1 0.802 123.0 63.3 -63.8 -21.0 -37.9 -12.3 -22.8 41 45 D S T 3 S- 0 0 50 2,-0.1 -2,-0.0 1,-0.0 312,-0.0 0.345 123.6-111.9 -76.8 -0.3 -37.0 -15.3 -20.5 42 46 D K < + 0 0 47 -3,-2.3 2,-0.2 1,-0.3 -1,-0.0 0.425 66.1 150.2 79.0 10.2 -33.6 -13.4 -20.2 43 47 D E - 0 0 52 1,-0.1 -4,-2.4 263,-0.0 2,-0.7 -0.520 39.5-143.2 -72.6 135.7 -31.5 -16.1 -22.2 44 48 D M E -G 38 0B 11 260,-0.6 259,-0.6 -6,-0.2 2,-0.5 -0.897 20.4-171.2-104.0 102.3 -28.4 -14.5 -24.0 45 49 D I E -G 37 0B 72 -8,-3.1 -8,-2.4 -2,-0.7 2,-0.2 -0.862 19.9-129.7-106.1 125.1 -27.9 -16.2 -27.4 46 50 D F E +G 36 0B 49 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.475 31.0 168.9 -68.1 134.2 -24.8 -15.6 -29.6 47 51 D L E - 0 0 15 -12,-2.8 2,-0.3 1,-0.4 -11,-0.2 0.794 54.7 -10.3-110.9 -60.5 -25.7 -14.8 -33.2 48 52 D I E -G 35 0B 6 -13,-1.1 -13,-2.6 15,-0.0 -1,-0.4 -0.992 48.5-147.1-150.8 151.5 -22.7 -13.6 -35.2 49 53 D R E -G 34 0B 69 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.930 10.8-162.7-120.3 141.3 -19.1 -12.4 -34.7 50 54 D Q E -G 33 0B 1 -17,-3.0 -17,-2.8 -2,-0.3 2,-0.2 -0.997 11.1-144.6-130.3 126.6 -17.2 -9.7 -36.8 51 55 D G E > -G 32 0B 1 -2,-0.4 3,-0.7 -19,-0.2 -19,-0.2 -0.578 18.0-130.5 -91.1 151.2 -13.4 -9.3 -36.9 52 56 D S T 3 S+ 0 0 6 -21,-1.8 16,-0.1 1,-0.2 -20,-0.1 0.813 114.8 34.2 -60.1 -39.7 -11.3 -6.1 -37.3 53 57 D D T 3 S+ 0 0 128 -22,-0.2 -1,-0.2 0, 0.0 2,-0.1 0.136 106.0 94.8-105.8 12.2 -9.3 -7.8 -40.1 54 58 D E S < S- 0 0 92 -3,-0.7 3,-0.1 1,-0.2 -4,-0.0 -0.476 72.4-119.3 -99.8 173.4 -12.2 -9.8 -41.6 55 59 D Q - 0 0 171 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.287 66.2 -43.6 -83.1-142.8 -14.7 -9.0 -44.4 56 60 D N - 0 0 91 -6,-0.1 -1,-0.2 9,-0.1 9,-0.1 -0.830 63.5-123.6 -97.6 125.4 -18.5 -8.8 -43.8 57 61 D A + 0 0 15 -2,-0.5 7,-2.2 7,-0.4 2,-0.3 -0.399 30.3 178.7 -68.2 140.1 -19.9 -11.5 -41.5 58 62 D K E +D 63 0A 163 5,-0.2 2,-0.2 -9,-0.1 5,-0.2 -0.957 11.1 162.9-146.7 123.6 -22.8 -13.7 -42.8 59 63 D S E > -D 62 0A 64 3,-2.3 3,-1.5 -2,-0.3 2,-0.4 -0.780 67.0 -61.6-147.1 91.0 -24.4 -16.6 -40.8 60 64 D G T 3 S- 0 0 60 1,-0.3 -1,-0.0 -2,-0.2 18,-0.0 -0.530 122.6 -5.5 71.6-116.8 -27.8 -17.7 -42.1 61 65 D R T 3 S+ 0 0 55 -2,-0.4 17,-2.9 -3,-0.1 2,-0.3 0.400 121.1 88.8 -90.3 2.5 -30.3 -14.8 -42.0 62 66 D Y E < +DE 59 77A 37 -3,-1.5 -3,-2.3 15,-0.2 2,-0.3 -0.811 49.1 169.0-105.5 143.4 -27.8 -12.6 -40.1 63 67 D S E -DE 58 76A 36 13,-1.4 13,-2.9 -2,-0.3 2,-0.5 -0.980 22.9-142.6-150.4 148.4 -25.2 -10.2 -41.7 64 68 D V E - E 0 75A 2 -7,-2.2 2,-1.2 -2,-0.3 -7,-0.4 -0.964 4.9-153.3-121.7 115.4 -22.8 -7.4 -40.4 65 69 D N E - E 0 74A 104 9,-2.1 9,-1.1 -2,-0.5 2,-0.4 -0.741 27.1-162.9 -85.6 94.1 -22.1 -4.2 -42.5 66 70 D F E + E 0 73A 24 -2,-1.2 2,-0.3 7,-0.2 7,-0.2 -0.729 23.8 171.2 -91.6 133.1 -18.7 -3.4 -41.1 67 71 D K E >> - E 0 72A 117 5,-1.9 4,-1.9 -2,-0.4 5,-1.4 -0.788 6.5-177.5-138.5 86.4 -17.1 0.1 -41.6 68 72 D K T 45S+ 0 0 121 -2,-0.3 -1,-0.1 3,-0.2 5,-0.0 0.710 82.0 59.7 -61.3 -23.3 -13.8 0.3 -39.4 69 73 D A T 45S+ 0 0 85 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.986 117.9 27.4 -67.6 -59.4 -13.3 4.0 -40.5 70 74 D A T 45S- 0 0 58 2,-0.1 -2,-0.2 -47,-0.0 -1,-0.2 0.648 109.1-125.8 -74.4 -17.2 -16.7 5.3 -39.1 71 75 D K T <5 + 0 0 64 -4,-1.9 -47,-1.5 1,-0.2 2,-0.4 0.981 55.6 153.4 61.2 63.5 -16.6 2.4 -36.5 72 76 D S E < +CE 23 67A 32 -5,-1.4 -5,-1.9 -49,-0.2 -1,-0.2 -0.993 28.0 178.5-125.9 128.9 -20.1 1.1 -37.4 73 77 D V E - E 0 66A 0 -51,-2.4 2,-0.2 -2,-0.4 -7,-0.2 -0.567 13.9-179.7-130.9 66.2 -21.3 -2.6 -37.0 74 78 D A E - E 0 65A 6 -9,-1.1 -9,-2.1 -2,-0.1 2,-0.4 -0.505 16.7-145.1 -71.7 132.8 -24.9 -2.6 -38.2 75 79 D L E -BE 20 64A 0 -55,-2.9 -55,-3.6 -2,-0.2 2,-0.5 -0.875 9.5-158.9 -99.4 130.5 -26.7 -6.1 -37.9 76 80 D T E -BE 19 63A 29 -13,-2.9 -13,-1.4 -2,-0.4 2,-0.6 -0.924 4.6-161.3-113.4 131.5 -29.2 -7.1 -40.6 77 81 D I E -BE 18 62A 0 -59,-2.9 -59,-2.0 -2,-0.5 3,-0.3 -0.966 18.7-161.1-110.4 110.1 -31.8 -9.8 -40.0 78 82 D S + 0 0 44 -17,-2.9 -61,-0.2 -2,-0.6 3,-0.1 -0.589 62.0 14.5 -93.5 157.1 -33.2 -11.0 -43.3 79 83 D A S S- 0 0 51 -64,-0.4 -1,-0.2 -2,-0.2 -63,-0.2 0.922 90.9-135.7 41.4 67.4 -36.5 -12.9 -44.1 80 84 D L - 0 0 4 -64,-2.8 -65,-3.4 -67,-0.3 2,-0.3 -0.250 21.6-164.5 -59.9 133.5 -38.0 -12.1 -40.6 81 85 D Q > - 0 0 103 -67,-0.2 3,-2.1 -3,-0.1 4,-0.2 -0.829 33.6-111.4-111.3 151.6 -39.8 -14.9 -38.7 82 86 D L G > S+ 0 0 79 -2,-0.3 3,-1.4 1,-0.3 31,-0.3 0.801 116.5 60.5 -57.8 -32.8 -42.1 -14.2 -35.7 83 87 D E G 3 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.476 84.6 79.7 -78.0 3.0 -39.6 -15.8 -33.2 84 88 D D G < + 0 0 2 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.601 64.1 113.0 -78.3 -12.9 -37.1 -13.1 -34.3 85 89 D S < + 0 0 36 -3,-1.4 2,-0.2 -4,-0.2 27,-0.2 -0.529 49.9 103.0 -64.0 111.4 -39.0 -10.7 -31.9 86 90 D A E S- I 0 111B 0 25,-1.0 25,-2.9 -2,-0.4 2,-0.5 -0.939 76.6 -77.8-170.0-177.4 -36.4 -10.1 -29.1 87 91 D K E -HI 38 110B 40 -49,-2.1 -49,-3.9 -2,-0.2 2,-0.5 -0.934 43.3-151.8-105.7 124.2 -33.8 -7.6 -27.7 88 92 D Y E -HI 37 109B 0 21,-2.8 21,-2.1 -2,-0.5 2,-0.4 -0.894 7.7-160.8-107.9 124.4 -30.5 -7.5 -29.7 89 93 D F E -H 36 0B 0 -53,-2.4 -53,-3.0 -2,-0.5 2,-0.4 -0.892 8.3-151.2-111.2 133.2 -27.2 -6.5 -28.1 90 94 D a E -H 35 0B 1 -2,-0.4 16,-1.6 -55,-0.2 2,-0.4 -0.848 19.9-167.6 -98.7 128.8 -24.0 -5.4 -29.7 91 95 D A E -HJ 34 105B 0 -57,-3.1 -57,-2.9 -2,-0.4 2,-0.5 -0.982 13.2-150.8-128.5 135.1 -20.9 -6.3 -27.8 92 96 D L E -HJ 33 104B 0 12,-3.1 12,-2.9 -2,-0.4 -59,-0.2 -0.901 21.0-130.2-102.8 124.4 -17.2 -5.1 -28.2 93 97 D G E - 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