==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 13-AUG-12 4GKZ . COMPND 2 MOLECULE: ALPHA CHAIN OF CLASS II TCR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.J.HOLLAND,P.J.RIZKALLAH,D.K.COLE,A.K.SEWELL,A.J.GODKIN . 443 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 35.0 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 . 2 0.5 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 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 . 2 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 . 4 5 9 2 4 1 4 1 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 2 1 1 3 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 0 A M 0 0 11 0, 0.0 94,-0.2 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 30.5 -1.2 1.8 50.2 2 1 A Q - 0 0 108 24,-0.9 2,-0.3 1,-0.3 25,-0.2 0.983 360.0 -21.9 -81.8 -58.6 0.2 -1.8 50.7 3 2 A S E -A 26 0A 59 23,-2.6 23,-2.4 89,-0.1 2,-0.3 -0.958 49.1-156.0-151.3 164.5 1.1 -2.7 47.0 4 3 A V E -A 25 0A 15 -2,-0.3 2,-0.4 101,-0.3 21,-0.3 -0.996 4.5-169.3-143.7 138.1 0.7 -2.1 43.3 5 4 A T E -A 24 0A 76 19,-3.5 19,-2.2 -2,-0.3 2,-0.6 -0.989 11.1-161.6-132.0 148.5 1.1 -4.0 40.0 6 5 A Q - 0 0 7 -2,-0.4 2,-0.6 17,-0.2 17,-0.2 -0.933 17.2-153.8-119.6 94.5 1.0 -3.0 36.3 7 6 A L S S+ 0 0 115 -2,-0.6 15,-0.5 1,-0.1 -2,-0.0 -0.733 74.2 42.7 -66.7 120.3 0.5 -6.1 34.2 8 7 A G - 0 0 43 -2,-0.6 14,-0.2 13,-0.1 3,-0.1 0.592 60.3-165.5 103.8 93.7 2.0 -5.4 30.8 9 8 A S S S+ 0 0 54 1,-0.2 101,-2.7 100,-0.2 2,-0.3 0.565 79.3 37.2 -82.9 -10.0 5.4 -3.7 30.9 10 9 A H E +f 110 0B 138 99,-0.2 2,-0.4 78,-0.0 -1,-0.2 -0.916 63.0 179.3-146.3 117.4 5.3 -2.7 27.2 11 10 A V E -f 111 0B 35 99,-2.5 101,-2.9 -2,-0.3 2,-0.5 -0.976 4.8-171.6-121.3 126.5 2.2 -1.6 25.1 12 11 A S E +f 112 0B 76 -2,-0.4 2,-0.3 99,-0.2 101,-0.2 -0.984 15.1 171.2-116.2 118.1 2.5 -0.7 21.4 13 12 A V E -f 113 0B 28 99,-2.2 101,-2.2 -2,-0.5 3,-0.1 -0.966 35.4-101.1-132.7 150.3 -0.7 0.8 19.8 14 13 A S E > -f 114 0B 70 -2,-0.3 3,-2.5 99,-0.2 67,-0.4 -0.277 49.2 -92.8 -67.1 144.8 -1.5 2.4 16.5 15 14 A E T 3 S+ 0 0 53 99,-2.6 67,-0.2 1,-0.3 -1,-0.1 -0.381 117.5 22.4 -48.6 130.3 -1.6 6.1 16.4 16 15 A G T 3 S+ 0 0 40 65,-2.7 -1,-0.3 1,-0.3 66,-0.1 0.261 100.6 113.6 93.6 -10.0 -5.3 6.8 17.0 17 16 A A S < S- 0 0 38 -3,-2.5 64,-2.5 63,-0.2 -1,-0.3 -0.286 76.2 -72.7 -93.2 177.5 -6.2 3.6 18.7 18 17 A L - 0 0 103 62,-0.2 2,-0.5 -3,-0.1 -1,-0.1 -0.465 39.6-150.2 -77.3 135.6 -7.3 3.0 22.3 19 18 A V E +B 78 0A 0 59,-2.8 59,-1.9 -2,-0.2 2,-0.3 -0.940 20.1 170.3-107.9 131.1 -4.7 3.3 25.1 20 19 A L E -B 77 0A 70 -2,-0.5 2,-0.5 57,-0.2 57,-0.2 -0.991 8.4-175.9-141.5 117.9 -5.2 1.1 28.2 21 20 A L E -B 76 0A 1 55,-2.8 55,-2.9 -2,-0.3 2,-0.2 -0.988 25.6-127.9-123.0 122.7 -2.5 0.8 30.9 22 21 A R + 0 0 106 -15,-0.5 2,-0.3 -2,-0.5 69,-0.1 -0.506 28.5 173.1 -79.1 141.0 -3.2 -1.6 33.8 23 22 A a + 0 0 0 -2,-0.2 51,-2.1 -17,-0.2 2,-0.3 -0.963 1.6 169.5-144.2 129.0 -3.1 -0.9 37.4 24 23 A N E -AC 5 73A 43 -19,-2.2 -19,-3.5 -2,-0.3 2,-0.3 -0.967 9.9-173.0-136.7 147.8 -4.1 -3.1 40.3 25 24 A Y E -A 4 0A 12 47,-2.1 2,-0.4 -2,-0.3 -21,-0.3 -0.913 19.1-148.1-135.5 159.0 -3.5 -2.6 44.0 26 25 A S E +A 3 0A 73 -23,-2.4 -23,-2.6 -2,-0.3 -24,-0.9 -1.000 24.4 172.1-123.3 133.8 -3.8 -4.2 47.4 27 26 A S - 0 0 33 -2,-0.4 -2,-0.0 -25,-0.2 45,-0.0 -0.902 30.5-164.8-145.2 123.1 -4.5 -2.1 50.4 28 27 A S S S+ 0 0 96 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.800 89.6 40.6 -64.2 -33.6 -5.3 -3.1 54.0 29 28 A V S S- 0 0 57 1,-0.1 -27,-0.2 0, 0.0 0, 0.0 -0.505 117.4 -62.6-102.3 175.6 -6.4 0.6 54.6 30 29 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.457 63.2-135.1 -57.2 129.7 -8.3 3.0 52.3 31 30 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 64,-0.2 -0.634 17.2-161.5 -91.4 147.9 -6.2 3.5 49.2 32 31 A Y E -G 94 0B 41 62,-2.1 62,-1.9 -2,-0.3 2,-0.3 -0.996 19.7-156.9-122.0 131.4 -5.3 6.7 47.3 33 32 A L E -G 93 0B 0 -2,-0.4 17,-3.1 17,-0.3 2,-0.3 -0.749 12.5-176.9-117.6 156.4 -4.1 6.2 43.8 34 33 A F E -GH 92 49B 6 58,-2.1 58,-2.7 -2,-0.3 2,-0.4 -0.993 15.6-148.7-148.0 141.7 -2.0 8.2 41.4 35 34 A W E -GH 91 48B 0 13,-2.8 12,-3.4 -2,-0.3 13,-1.4 -0.975 17.4-175.8-116.1 134.9 -0.7 8.0 37.8 36 35 A Y E -GH 90 46B 10 54,-2.8 54,-2.7 -2,-0.4 2,-0.3 -0.905 8.3-157.5-120.6 146.4 2.6 9.5 36.8 37 36 A V E -GH 89 45B 0 8,-1.7 8,-1.9 -2,-0.3 2,-0.5 -0.969 2.2-158.3-124.9 148.5 4.2 9.7 33.2 38 37 A Q E -GH 88 44B 33 50,-2.5 50,-1.9 -2,-0.3 6,-0.2 -0.985 15.4-144.7-130.0 110.6 7.9 10.1 32.4 39 38 A Y - 0 0 27 4,-0.9 48,-0.1 -2,-0.5 46,-0.0 -0.558 34.2 -95.2 -85.3 151.1 8.6 11.6 29.0 40 39 A P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.786 117.0 15.1 -36.8 -56.9 11.6 10.3 27.1 41 40 A N S S+ 0 0 155 2,-0.0 -3,-0.0 -3,-0.0 0, 0.0 0.939 118.8 61.1 -90.1 -45.2 14.0 13.0 28.2 42 41 A Q S S- 0 0 117 1,-0.1 2,-0.0 0, 0.0 266,-0.0 0.163 81.2 -89.8 -72.5-172.6 12.3 14.8 31.2 43 42 A G - 0 0 31 1,-0.2 -4,-0.9 -5,-0.1 2,-0.2 -0.038 52.7 -57.6 -87.4-170.7 11.2 13.7 34.7 44 43 A L E -H 38 0B 23 263,-0.3 2,-0.4 -6,-0.2 262,-0.3 -0.472 52.1-174.9 -70.0 135.7 8.1 12.2 36.5 45 44 A Q E -H 37 0B 78 -8,-1.9 -8,-1.7 -2,-0.2 260,-0.0 -0.975 30.5-106.6-143.7 135.3 4.8 14.2 36.3 46 45 A L E +H 36 0B 75 -2,-0.4 -10,-0.2 -10,-0.2 14,-0.1 -0.240 32.9 173.0 -53.0 121.9 1.4 13.9 37.8 47 46 A L E - 0 0 3 -12,-3.4 13,-2.6 1,-0.4 2,-0.3 0.804 66.2 -31.9 -91.3 -41.9 -1.2 12.7 35.2 48 47 A L E -H 35 0B 6 -13,-1.4 -13,-2.8 11,-0.2 -1,-0.4 -0.957 53.1-150.8-170.2 159.0 -4.0 12.2 37.6 49 48 A K E -H 34 0B 105 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.954 10.6-139.6-138.2 157.4 -4.9 11.2 41.1 50 49 A Y + 0 0 22 -17,-3.1 -17,-0.3 -2,-0.3 2,-0.3 -0.946 23.0 166.6-121.5 140.2 -7.9 9.6 42.9 51 50 A T > - 0 0 43 -2,-0.4 2,-2.3 3,-0.3 3,-0.7 -0.840 62.4 -86.9-141.6 161.5 -9.1 10.8 46.2 52 51 A S T 3 S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.2 -20,-0.0 0.024 102.9 106.7 -74.0 43.8 -12.5 9.6 47.5 53 52 A A T 3 S- 0 0 78 -2,-2.3 -1,-0.2 1,-0.4 2,-0.2 0.424 89.6 -25.3-103.1 -7.4 -13.9 12.6 45.5 54 53 A A < - 0 0 66 -3,-0.7 -1,-0.4 1,-0.1 -3,-0.3 -0.676 55.5-115.7 161.7 157.4 -15.5 10.7 42.5 55 54 A T S S+ 0 0 70 -2,-0.2 12,-2.3 1,-0.1 2,-0.8 0.934 97.3 53.2 -78.6 -54.2 -15.2 7.4 40.6 56 55 A L E S-D 66 0A 80 10,-0.2 2,-0.4 8,-0.0 10,-0.2 -0.771 77.1-160.5 -86.7 107.8 -14.1 8.3 37.0 57 56 A V E -D 65 0A 24 8,-2.6 8,-2.0 -2,-0.8 2,-0.4 -0.762 3.7-151.6 -95.1 137.8 -11.1 10.6 37.3 58 57 A K E +D 64 0A 145 -2,-0.4 6,-0.2 6,-0.2 -9,-0.2 -0.918 22.3 172.4-111.4 138.3 -10.0 12.9 34.5 59 58 A G > - 0 0 25 4,-2.5 3,-0.6 -2,-0.4 -11,-0.2 -0.522 32.3 -57.4-134.6-171.5 -6.4 13.9 34.1 60 59 A I G > S+ 0 0 71 -13,-2.6 3,-1.8 1,-0.2 -1,-0.2 -0.192 104.9 26.5 -76.7 167.5 -3.9 15.6 31.8 61 60 A N G 3 S- 0 0 78 1,-0.3 -1,-0.2 17,-0.0 -14,-0.0 0.639 130.9 -61.2 56.7 22.5 -3.1 14.9 28.2 62 61 A G G < S+ 0 0 53 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.477 98.0 140.6 91.1 8.7 -6.5 13.4 27.5 63 62 A F < + 0 0 4 -3,-1.8 -4,-2.5 15,-0.1 2,-0.3 -0.476 25.6 179.1 -86.2 164.0 -6.3 10.6 30.0 64 63 A E E -DE 58 77A 51 13,-2.3 13,-3.3 -6,-0.2 2,-0.3 -0.973 5.4-169.4-153.5 153.7 -8.9 9.0 32.3 65 64 A A E -DE 57 76A 0 -8,-2.0 -8,-2.6 -2,-0.3 2,-0.5 -0.994 15.4-136.5-148.5 146.9 -9.0 6.2 34.8 66 65 A E E -DE 56 75A 83 9,-0.8 2,-1.2 -2,-0.3 9,-0.5 -0.917 10.5-141.9-108.3 124.0 -11.8 4.4 36.8 67 66 A F E + E 0 74A 16 -12,-2.3 2,-0.8 -2,-0.5 7,-0.2 -0.668 24.8 179.7 -79.3 99.8 -11.5 3.5 40.4 68 67 A K E >>> - E 0 73A 88 5,-1.4 5,-1.7 -2,-1.2 3,-1.6 -0.864 8.7-177.4-107.7 95.0 -13.2 0.1 40.5 69 68 A K T 345S+ 0 0 170 -2,-0.8 3,-0.2 1,-0.3 -1,-0.2 0.719 79.2 66.0 -64.0 -27.2 -13.0 -1.0 44.2 70 69 A S T 345S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.350 113.8 30.6 -84.1 2.1 -14.7 -4.3 43.3 71 70 A E T <45S- 0 0 90 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.231 103.0-122.3-129.7 1.3 -11.6 -5.3 41.2 72 71 A T T <5S+ 0 0 55 -4,-0.5 -47,-2.1 -3,-0.2 2,-0.3 0.938 71.1 130.9 61.4 38.9 -8.9 -3.5 43.1 73 72 A S E < +CE 24 68A 1 -5,-1.7 -5,-1.4 -49,-0.2 -49,-0.2 -0.865 43.6 178.5-129.3 161.7 -8.0 -1.6 39.8 74 73 A F E - E 0 67A 0 -51,-2.1 2,-0.2 -2,-0.3 -7,-0.2 -0.422 26.5-171.0-160.8 64.7 -7.4 1.9 38.4 75 74 A H E - E 0 66A 34 -9,-0.5 -9,-0.8 -53,-0.1 2,-0.4 -0.464 18.3-129.2 -72.6 140.9 -6.7 1.4 34.8 76 75 A L E +BE 21 65A 0 -55,-2.9 -55,-2.8 -2,-0.2 2,-0.3 -0.722 32.7 175.3 -90.6 125.3 -5.4 4.3 32.6 77 76 A T E +BE 20 64A 35 -13,-3.3 -13,-2.3 -2,-0.4 -57,-0.2 -0.935 21.4 175.8-129.2 154.2 -7.3 5.0 29.3 78 77 A K E -B 19 0A 24 -59,-1.9 -59,-2.8 -2,-0.3 3,-0.2 -0.947 25.9-141.7-147.3 129.8 -7.3 7.4 26.4 79 78 A P S S+ 0 0 97 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.893 88.0 29.3 -66.8 -34.8 -9.6 6.8 23.4 80 79 A S S S- 0 0 69 -18,-0.1 -62,-0.2 -62,-0.1 -63,-0.2 -0.908 82.3-135.5-134.3 106.4 -7.3 8.0 20.7 81 80 A A - 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