==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 27-SEP-11 3TZV . COMPND 2 MOLECULE: INVARIANT NATURAL KILLER T CELL RECEPTOR CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LOPEZ-SAGASETA,E.J.ADAMS . 1235 17 13 6 7 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 769 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 445 36.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.9 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 . 108 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 4 0 0 2 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 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 . 8 12 18 11 11 8 7 4 2 2 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 5 3 4 3 3 1 0 0 0 1 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 N 0 0 115 0, 0.0 3,-0.0 0, 0.0 102,-0.0 0.000 360.0 360.0 360.0 144.8 -24.7 41.3 35.8 2 2 A Q + 0 0 84 1,-0.2 23,-2.7 100,-0.1 24,-0.7 0.617 360.0 53.3 -78.5 -13.2 -23.3 38.2 34.1 3 3 A V E -A 24 0A 2 99,-0.2 2,-0.4 21,-0.2 101,-0.4 -0.961 63.9-178.3-130.3 117.5 -22.2 36.6 37.4 4 4 A E E -A 23 0A 97 19,-3.0 19,-3.3 -2,-0.4 2,-0.3 -0.934 7.7-161.6-115.9 135.8 -24.5 36.0 40.4 5 5 A Q E -A 22 0A 10 -2,-0.4 17,-0.2 17,-0.2 99,-0.0 -0.802 13.5-120.6-113.3 155.6 -23.4 34.5 43.7 6 6 A S E S+A 21 0A 13 15,-1.5 15,-3.2 -2,-0.3 2,-0.2 -0.976 75.7 25.9-153.0 144.1 -25.4 32.9 46.6 7 7 A P - 0 0 13 0, 0.0 807,-0.2 0, 0.0 3,-0.1 0.609 65.1-143.7 -83.0 176.0 -25.9 33.2 49.4 8 8 A Q S S- 0 0 38 805,-2.2 99,-2.3 1,-0.3 2,-0.3 0.915 79.3 -23.3 -65.2 -44.1 -25.3 37.0 50.1 9 9 A S E -eF 107 813B 34 804,-0.7 804,-2.4 97,-0.2 2,-0.3 -0.969 63.0-173.5-163.7 155.0 -23.8 36.2 53.5 10 10 A L E -eF 108 812B 11 97,-2.2 99,-2.3 -2,-0.3 2,-0.4 -0.995 15.1-141.4-153.7 152.1 -23.8 33.4 56.1 11 11 A I E +eF 109 811B 38 800,-2.3 799,-1.6 -2,-0.3 800,-1.4 -0.946 24.7 173.9-117.6 137.2 -22.6 32.7 59.6 12 12 A I E -e 110 0B 0 97,-2.2 99,-2.1 -2,-0.4 2,-0.2 -0.997 32.2-112.9-145.2 145.0 -21.2 29.3 60.8 13 13 A L E > -e 111 0B 31 -2,-0.3 3,-1.5 97,-0.2 66,-0.2 -0.486 48.4 -96.5 -71.2 145.1 -19.6 27.7 63.8 14 14 A E T 3 S+ 0 0 41 97,-2.3 66,-0.2 1,-0.2 -1,-0.1 -0.300 110.1 33.8 -61.8 146.8 -16.0 26.6 63.3 15 15 A G T 3 S+ 0 0 51 64,-3.0 63,-0.4 1,-0.4 -1,-0.2 -0.037 97.5 105.2 95.8 -30.7 -15.6 22.9 62.5 16 16 A K < - 0 0 38 -3,-1.5 63,-2.5 62,-0.2 -1,-0.4 -0.244 68.1-118.2 -75.2 169.0 -18.9 22.9 60.5 17 17 A N + 0 0 92 61,-0.2 2,-0.3 60,-0.1 60,-0.2 -0.610 27.3 179.7-106.3 167.9 -19.1 22.8 56.7 18 18 A C E - B 0 76A 12 58,-1.3 58,-2.6 -2,-0.2 2,-0.4 -0.983 16.2-146.6-161.1 162.0 -20.5 25.1 54.1 19 19 A T E - B 0 75A 70 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.966 10.6-152.0-140.6 120.1 -20.9 25.5 50.3 20 20 A L E - B 0 74A 0 54,-2.7 54,-2.4 -2,-0.4 2,-0.2 -0.712 16.0-143.7 -95.2 142.1 -20.9 28.7 48.4 21 21 A Q E -AB 6 73A 68 -15,-3.2 -15,-1.5 -2,-0.3 2,-0.3 -0.687 16.2-177.5-107.6 156.2 -22.8 29.0 45.1 22 22 A a E -AB 5 72A 0 50,-1.4 50,-2.9 -2,-0.2 2,-0.4 -0.927 2.8-174.8-155.0 127.1 -22.1 30.7 41.8 23 23 A N E -AB 4 71A 65 -19,-3.3 -19,-3.0 -2,-0.3 2,-0.3 -0.983 9.3-173.5-129.3 124.5 -24.1 31.1 38.6 24 24 A Y E -A 3 0A 7 46,-2.3 -21,-0.2 -2,-0.4 -22,-0.1 -0.845 26.7-173.2-119.8 151.9 -22.9 32.7 35.4 25 25 A T + 0 0 77 -23,-2.7 -22,-0.1 -2,-0.3 -1,-0.1 0.208 45.6 137.4-119.1 7.0 -24.5 33.6 32.1 26 26 A V - 0 0 0 -24,-0.7 -2,-0.1 44,-0.1 66,-0.1 -0.285 46.5-128.6 -59.3 137.0 -21.1 34.7 30.6 27 27 A S S S+ 0 0 89 1,-0.2 2,-0.2 2,-0.1 66,-0.1 -0.979 80.5 24.2-150.6 132.8 -20.6 33.5 27.0 28 28 A P S S- 0 0 87 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.589 86.4-143.7 -76.6 169.5 -18.4 32.1 25.7 29 29 A F + 0 0 33 -2,-0.2 64,-0.2 1,-0.2 22,-0.1 -0.841 32.0 158.4-103.8 133.1 -17.0 30.3 28.8 30 30 A S - 0 0 21 62,-2.7 21,-1.1 -2,-0.4 2,-0.3 0.749 62.0 -21.3-113.5 -54.7 -13.3 29.7 29.3 31 31 A N E -GH 50 92B 14 61,-1.4 61,-2.5 19,-0.2 2,-0.4 -0.993 47.8-131.5-161.1 161.7 -12.6 29.2 33.0 32 32 A L E -GH 49 91B 0 17,-3.3 17,-2.1 -2,-0.3 2,-0.3 -0.968 20.5-169.1-124.7 129.2 -13.8 29.8 36.5 33 33 A R E -GH 48 90B 17 57,-4.2 57,-2.8 -2,-0.4 2,-0.5 -0.837 12.4-150.2-117.1 155.2 -11.9 31.1 39.5 34 34 A W E -GH 47 89B 0 13,-1.8 12,-3.2 -2,-0.3 13,-0.9 -0.970 16.3-170.4-124.5 116.5 -12.5 31.4 43.2 35 35 A Y E -GH 45 88B 0 53,-2.8 53,-3.1 -2,-0.5 2,-0.5 -0.846 10.8-154.9-106.1 140.7 -10.9 34.3 45.1 36 36 A K E -GH 44 87B 24 8,-3.2 8,-2.5 -2,-0.4 2,-0.6 -0.970 12.0-171.7-112.9 121.7 -10.8 34.7 48.9 37 37 A Q E - H 0 86B 19 49,-3.0 49,-2.2 -2,-0.5 3,-0.1 -0.886 8.2-154.3-121.2 102.2 -10.5 38.3 50.1 38 38 A D > - 0 0 41 -2,-0.6 3,-1.2 4,-0.5 47,-0.1 -0.234 45.7 -67.3 -68.1 159.9 -9.9 38.9 53.8 39 39 A T T 3 S- 0 0 105 45,-0.4 -1,-0.2 1,-0.3 3,-0.1 -0.247 117.7 -7.1 -52.4 121.8 -10.9 42.2 55.5 40 40 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.922 115.6 100.3 56.1 50.6 -8.8 45.0 54.1 41 41 A R S < S- 0 0 157 -3,-1.2 -1,-0.2 260,-0.0 260,-0.1 -0.918 77.4 -71.9-151.0 176.2 -6.4 42.9 52.1 42 42 A G - 0 0 14 -2,-0.3 -4,-0.5 258,-0.1 2,-0.2 -0.495 50.9-103.3 -77.3 141.2 -5.8 41.7 48.6 43 43 A P - 0 0 5 0, 0.0 257,-0.7 0, 0.0 2,-0.4 -0.458 40.2-151.0 -57.4 128.3 -8.0 39.1 46.8 44 44 A V E -G 36 0B 85 -8,-2.5 -8,-3.2 -2,-0.2 2,-0.4 -0.907 11.3-122.5-111.3 135.6 -6.2 35.8 46.9 45 45 A S E +G 35 0B 33 -2,-0.4 -10,-0.2 253,-0.3 3,-0.1 -0.606 30.3 172.6 -80.5 125.2 -6.7 33.1 44.3 46 46 A L E - 0 0 21 -12,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.899 62.1 -4.6 -92.9 -57.3 -7.8 29.7 45.6 47 47 A T E -G 34 0B 9 -13,-0.9 -13,-1.8 15,-0.0 2,-0.4 -0.989 50.0-150.6-144.3 147.9 -8.6 27.7 42.5 48 48 A I E -G 33 0B 58 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.970 18.1-168.7-116.6 136.2 -8.7 27.9 38.7 49 49 A M E -G 32 0B 0 -17,-2.1 -17,-3.3 -2,-0.4 2,-0.2 -0.966 9.1-163.4-131.9 120.1 -11.0 25.7 36.7 50 50 A T E > -G 31 0B 53 -2,-0.4 3,-2.1 -19,-0.3 -19,-0.2 -0.578 41.1-105.7 -86.4 160.7 -11.2 25.1 32.9 51 51 A F T 3 S+ 0 0 128 -21,-1.1 16,-0.3 1,-0.3 -20,-0.1 0.721 119.1 65.1 -62.0 -20.3 -14.4 23.6 31.5 52 52 A S T 3 S+ 0 0 89 15,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.649 97.8 65.9 -76.1 -14.6 -12.5 20.3 31.0 53 53 A E < - 0 0 85 -3,-2.1 3,-0.1 1,-0.1 -4,-0.0 -0.901 51.6-179.3-111.5 136.7 -12.2 20.0 34.8 54 54 A N S S+ 0 0 106 -2,-0.4 11,-1.1 1,-0.2 2,-0.3 0.353 73.7 43.2-109.1 2.0 -15.1 19.6 37.2 55 55 A T E +C 64 0A 83 9,-0.2 2,-0.3 2,-0.0 9,-0.2 -0.978 48.0 170.8-152.1 135.3 -12.9 19.6 40.4 56 56 A K E -C 63 0A 21 7,-1.7 7,-1.7 -2,-0.3 2,-0.5 -0.874 19.0-162.1-143.7 108.3 -10.0 21.5 41.8 57 57 A S E +C 62 0A 90 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.799 14.5 170.7-101.7 128.5 -9.0 20.8 45.4 58 58 A N E > -C 61 0A 78 3,-2.9 3,-2.1 -2,-0.5 2,-0.1 -0.924 61.6 -53.8-136.2 110.1 -6.8 23.1 47.5 59 59 A G T 3 S- 0 0 74 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.399 121.3 -17.0 62.3-131.6 -6.5 22.5 51.2 60 60 A R T 3 S+ 0 0 69 -2,-0.1 17,-2.0 -3,-0.1 2,-0.4 0.474 123.3 94.5 -82.9 -2.2 -9.8 22.3 52.9 61 61 A Y E < +CD 58 76A 20 -3,-2.1 -3,-2.9 15,-0.2 2,-0.4 -0.774 49.6 177.3 -93.5 132.3 -11.3 23.9 49.8 62 62 A T E -CD 57 75A 30 13,-2.0 13,-3.0 -2,-0.4 2,-0.5 -0.990 9.3-163.5-132.6 127.2 -12.8 21.9 47.0 63 63 A A E -CD 56 74A 0 -7,-1.7 -7,-1.7 -2,-0.4 2,-0.4 -0.929 0.8-162.1-115.3 130.1 -14.4 23.6 44.0 64 64 A T E -CD 55 73A 47 9,-2.2 9,-1.7 -2,-0.5 2,-0.4 -0.862 3.2-159.2-110.9 144.7 -16.7 21.9 41.5 65 65 A L E - D 0 72A 10 -11,-1.1 2,-0.6 -2,-0.4 7,-0.2 -0.983 10.6-174.7-128.1 126.6 -17.6 23.2 38.0 66 66 A D E >> - D 0 71A 72 5,-2.1 5,-1.6 -2,-0.4 4,-1.0 -0.895 0.7-176.0-118.5 99.9 -20.6 22.2 35.9 67 67 A A T 45S+ 0 0 45 -2,-0.6 -1,-0.1 -16,-0.3 5,-0.1 0.786 79.1 62.4 -65.6 -28.7 -20.3 23.9 32.4 68 68 A D T 45S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.985 113.9 29.5 -60.6 -62.4 -23.7 22.6 31.4 69 69 A T T 45S- 0 0 83 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.568 106.9-126.9 -76.0 -8.8 -25.8 24.4 33.9 70 70 A K T <5 + 0 0 61 -4,-1.0 -46,-2.3 1,-0.2 2,-0.3 0.899 67.5 119.8 62.2 42.9 -23.3 27.2 34.0 71 71 A Q E < -BD 23 66A 63 -5,-1.6 -5,-2.1 -48,-0.2 2,-0.3 -0.982 41.5-167.3-136.8 152.2 -22.8 27.1 37.8 72 72 A S E -BD 22 65A 2 -50,-2.9 -50,-1.4 -2,-0.3 2,-0.3 -0.965 4.1-161.7-134.0 151.3 -20.0 26.4 40.2 73 73 A S E -BD 21 64A 15 -9,-1.7 -9,-2.2 -2,-0.3 2,-0.5 -0.962 8.7-147.6-132.6 153.1 -19.9 25.7 44.0 74 74 A L E -BD 20 63A 0 -54,-2.4 -54,-2.7 -2,-0.3 2,-0.3 -0.957 12.7-157.8-124.9 113.1 -17.1 25.9 46.6 75 75 A H E -BD 19 62A 64 -13,-3.0 -13,-2.0 -2,-0.5 2,-0.5 -0.696 1.7-161.5 -90.0 139.9 -17.1 23.5 49.5 76 76 A I E -BD 18 61A 1 -58,-2.6 -58,-1.3 -2,-0.3 2,-0.4 -0.979 7.9-155.6-123.1 119.4 -15.3 24.3 52.7 77 77 A T S S- 0 0 74 -17,-2.0 -60,-0.1 -2,-0.5 -61,-0.1 -0.801 70.3 -3.5-100.6 131.8 -14.5 21.5 55.1 78 78 A A S S- 0 0 47 -2,-0.4 -1,-0.2 -63,-0.4 -61,-0.2 0.986 87.2-139.2 54.0 68.2 -13.9 22.0 58.8 79 79 A S - 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