==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN/IMMUNE SYSTEM 01-FEB-08 3C5Z . COMPND 2 MOLECULE: TCR B3K506 ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.DAI,J.KAPPLER . 1651 10 16 14 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1092 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 597 36.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 0.8 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 . 185 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.5 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 6 0 4 2 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 14 14 25 11 9 14 10 4 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 4 10 3 5 2 2 0 1 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 84 0, 0.0 2,-0.2 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 86.1 117.0 24.8 -30.4 2 2 A S - 0 0 59 23,-0.3 23,-2.4 98,-0.0 2,-0.4 -0.834 360.0-109.4-149.0-175.8 120.5 25.8 -31.6 3 3 A V E -A 24 0A 11 98,-0.4 2,-0.4 -2,-0.2 21,-0.2 -0.976 23.7-164.8-126.6 138.2 123.7 28.0 -31.3 4 4 A T E -A 23 0A 84 19,-3.0 19,-2.5 -2,-0.4 2,-0.6 -0.984 7.5-156.1-129.1 129.6 124.8 30.7 -33.7 5 5 A Q E -A 22 0A 8 -2,-0.4 17,-0.2 17,-0.2 98,-0.0 -0.910 12.1-147.0-105.6 123.3 128.3 32.5 -34.0 6 6 A T S S+ 0 0 88 15,-0.7 -1,-0.2 -2,-0.6 16,-0.1 0.935 79.8 39.8 -49.3 -63.0 128.2 35.9 -35.6 7 7 A E - 0 0 59 14,-0.3 -2,-0.1 1,-0.1 3,-0.1 0.361 54.6-171.5 -70.1-151.9 131.6 35.8 -37.3 8 8 A G S S+ 0 0 35 98,-0.2 98,-1.4 1,-0.1 2,-0.3 0.143 76.6 30.0-179.1 -21.4 133.3 32.9 -39.0 9 9 A N E +d 106 0B 98 96,-0.2 2,-0.4 2,-0.0 98,-0.2 -0.916 63.4 179.7-157.0 123.7 136.7 34.2 -39.6 10 10 A V E -d 107 0B 26 96,-3.3 98,-3.4 -2,-0.3 2,-0.4 -0.995 0.8-179.8-132.6 134.2 138.7 36.7 -37.5 11 11 A A E +d 108 0B 63 -2,-0.4 2,-0.3 96,-0.2 98,-0.2 -0.997 13.9 149.0-134.2 136.9 142.2 38.1 -38.0 12 12 A L E -d 109 0B 25 96,-2.4 98,-1.9 -2,-0.4 2,-0.2 -0.987 43.3 -92.6-160.7 163.2 144.1 40.6 -35.9 13 13 A S E > -d 110 0B 37 -2,-0.3 3,-0.8 96,-0.2 66,-0.2 -0.522 56.5 -84.3 -81.6 148.6 147.6 41.6 -34.8 14 14 A E T 3 S+ 0 0 32 96,-2.3 66,-0.2 1,-0.2 -1,-0.1 -0.131 113.5 29.0 -51.9 143.3 149.1 40.4 -31.5 15 15 A E T 3 S+ 0 0 112 64,-3.8 -1,-0.2 1,-0.3 2,-0.2 0.714 92.5 129.3 76.2 23.2 148.1 42.3 -28.4 16 16 A D < - 0 0 65 -3,-0.8 63,-2.6 63,-0.4 2,-0.4 -0.470 66.2 -92.8 -99.1 176.3 144.7 43.3 -29.8 17 17 A F - 0 0 127 61,-0.2 2,-0.4 -2,-0.2 60,-0.2 -0.784 37.6-151.3 -94.2 131.5 141.3 42.9 -28.2 18 18 A L E +I 76 0C 2 58,-2.5 58,-1.8 -2,-0.4 2,-0.3 -0.881 20.5 166.9-109.6 134.9 139.3 39.8 -29.1 19 19 A T E +I 75 0C 35 -2,-0.4 2,-0.6 56,-0.2 56,-0.2 -0.875 7.5 179.6-148.7 110.3 135.5 39.4 -29.2 20 20 A I E -I 74 0C 0 54,-1.2 54,-2.3 -2,-0.3 52,-0.1 -0.926 23.6-141.2-115.0 107.8 133.6 36.5 -30.7 21 21 A H - 0 0 66 -2,-0.6 -15,-0.7 52,-0.2 2,-0.3 -0.323 20.5-178.7 -68.8 147.1 129.8 36.9 -30.4 22 22 A a E -A 5 0A 1 -17,-0.2 50,-1.6 -16,-0.1 2,-0.3 -0.952 3.5-178.9-150.2 126.4 127.6 33.9 -29.7 23 23 A N E -AB 4 71A 58 -19,-2.5 -19,-3.0 -2,-0.3 2,-0.3 -0.899 9.9-165.5-124.6 154.3 123.8 33.7 -29.4 24 24 A Y E -A 3 0A 21 46,-1.7 2,-0.4 -2,-0.3 -21,-0.2 -0.899 20.8-152.7-142.3 170.1 121.6 30.8 -28.6 25 25 A S + 0 0 64 -23,-2.4 -23,-0.3 -2,-0.3 2,-0.3 -0.937 27.2 168.1-143.1 111.2 118.1 29.3 -28.5 26 26 A A - 0 0 34 -2,-0.4 -2,-0.0 -25,-0.2 -24,-0.0 -0.935 38.5-144.4-131.7 155.2 117.2 26.6 -26.0 27 27 A S S S+ 0 0 64 -2,-0.3 602,-0.5 601,-0.0 2,-0.1 0.685 92.0 23.2 -83.8 -24.0 114.1 24.9 -24.7 28 28 A G S S- 0 0 12 600,-0.1 -2,-0.2 602,-0.0 689,-0.1 -0.193 106.6 -72.7-118.6-147.5 115.5 24.6 -21.1 29 29 A Y - 0 0 15 687,-0.3 691,-0.1 -2,-0.1 686,-0.1 -0.717 63.0-165.3-117.6 77.6 118.1 26.4 -19.1 30 30 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 63,-0.1 -0.163 22.4-117.1 -67.4 154.6 121.3 25.1 -20.8 31 31 A A E -E 92 0B 13 61,-0.7 61,-1.2 20,-0.0 2,-0.4 -0.811 33.6-138.0 -90.9 126.8 124.9 25.2 -19.6 32 32 A L E -EF 91 49B 2 17,-2.1 17,-1.8 -2,-0.5 59,-0.2 -0.721 24.9-179.4 -93.1 134.5 126.9 27.3 -22.0 33 33 A F E -EF 90 48B 0 57,-2.3 57,-1.8 -2,-0.4 2,-0.3 -0.694 20.5-151.0-123.7 177.2 130.4 26.2 -23.2 34 34 A W E -EF 89 47B 0 13,-1.1 12,-2.0 55,-0.2 13,-1.0 -0.977 16.4-173.1-146.4 132.5 133.3 27.3 -25.3 35 35 A Y E -EF 88 45B 0 53,-2.7 53,-2.2 -2,-0.3 2,-0.4 -0.876 7.4-154.3-125.9 162.5 135.8 24.9 -27.0 36 36 A V E -EF 87 44B 0 8,-2.6 8,-4.0 -2,-0.3 2,-0.5 -0.996 2.7-163.0-139.7 141.4 138.9 25.5 -28.9 37 37 A Q E -E 86 0B 17 49,-2.7 49,-2.6 -2,-0.4 3,-0.1 -0.968 10.5-151.4-129.4 115.6 140.6 23.4 -31.6 38 38 A Y - 0 0 47 4,-0.5 3,-0.5 -2,-0.5 47,-0.1 -0.656 45.1 -78.4 -85.3 139.4 144.2 24.0 -32.5 39 39 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.026 115.4 19.8 -40.4 121.4 145.3 23.1 -36.0 40 40 A G S S+ 0 0 70 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.805 114.2 59.2 88.2 34.1 145.8 19.4 -36.5 41 41 A E S S- 0 0 66 -3,-0.5 -1,-0.3 264,-0.0 265,-0.1 -0.974 85.3 -68.2-171.7 175.9 143.9 17.9 -33.5 42 42 A G - 0 0 8 -2,-0.3 -4,-0.5 1,-0.1 2,-0.2 -0.259 55.0 -91.3 -77.9 164.2 140.5 17.6 -31.8 43 43 A P - 0 0 3 0, 0.0 261,-0.7 0, 0.0 2,-0.3 -0.533 44.2-158.1 -76.0 137.7 138.5 20.4 -30.1 44 44 A Q E -F 36 0B 74 -8,-4.0 -8,-2.6 -2,-0.2 259,-0.1 -0.865 23.8 -90.4-121.2 155.9 139.2 20.8 -26.3 45 45 A F E +F 35 0B 67 257,-0.4 -10,-0.2 -2,-0.3 3,-0.1 -0.263 36.0 173.4 -58.7 135.7 137.3 22.3 -23.4 46 46 A L E - 0 0 6 -12,-2.0 2,-0.3 1,-0.4 -11,-0.2 0.770 56.2 -56.9-108.5 -59.4 138.0 25.9 -22.6 47 47 A F E -F 34 0B 8 -13,-1.0 -13,-1.1 9,-0.1 -1,-0.4 -0.970 46.9-137.5-174.5 170.9 135.5 26.8 -19.9 48 48 A R E -F 33 0B 42 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.869 6.6-150.0-141.1 174.2 131.8 26.9 -19.0 49 49 A A E -F 32 0B 0 -17,-1.8 -17,-2.1 -2,-0.3 7,-0.1 -0.905 5.0-167.8-148.4 114.4 129.0 28.9 -17.4 50 50 A S + 0 0 3 -2,-0.3 2,-0.3 -19,-0.2 -1,-0.1 0.634 66.2 4.6 -81.5 -16.3 126.1 27.1 -15.7 51 51 A R S > S- 0 0 59 -19,-0.1 3,-2.1 1,-0.1 14,-0.3 -0.993 90.4 -52.6-166.8 161.6 123.7 30.0 -15.2 52 52 A D T 3 S+ 0 0 44 -2,-0.3 2,-0.5 1,-0.3 14,-0.2 0.210 116.4 7.8 -33.2 145.1 122.8 33.7 -15.7 53 53 A K T 3 S+ 0 0 164 12,-2.5 -1,-0.3 1,-0.2 13,-0.1 0.184 97.3 128.9 62.9 -19.9 125.3 36.3 -14.7 54 54 A E < - 0 0 54 -3,-2.1 11,-2.3 -2,-0.5 2,-0.4 -0.233 51.1-139.9 -61.2 154.7 127.9 33.5 -14.0 55 55 A K E -J 64 0C 113 9,-0.2 2,-0.4 -3,-0.1 9,-0.2 -0.971 11.5-160.5-128.0 130.9 131.2 34.0 -15.7 56 56 A G E +J 63 0C 3 7,-2.6 7,-2.7 -2,-0.4 2,-0.3 -0.841 20.6 166.9-105.5 143.9 133.4 31.5 -17.4 57 57 A S E +J 62 0C 82 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.994 11.2 156.6-154.7 158.3 137.1 32.1 -17.9 58 58 A S E > -J 61 0C 40 3,-3.4 3,-3.1 -2,-0.3 -11,-0.1 -0.803 67.7 -2.1 178.1 138.0 140.4 30.5 -18.8 59 59 A R T 3 S- 0 0 118 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.754 131.1 -48.0 46.4 33.1 143.8 31.4 -20.3 60 60 A G T 3 S+ 0 0 52 1,-0.4 17,-0.5 16,-0.1 -1,-0.3 0.145 117.8 112.6 97.9 -20.8 142.8 35.1 -20.7 61 61 A F E < +J 58 0C 1 -3,-3.1 -3,-3.4 15,-0.1 -1,-0.4 -0.639 39.5 165.9 -87.5 146.6 139.5 34.2 -22.3 62 62 A E E -JK 57 75C 60 13,-1.5 13,-0.9 -5,-0.3 2,-0.3 -0.986 14.1-175.4-158.1 150.7 136.2 34.9 -20.5 63 63 A A E -J 56 0C 0 -7,-2.7 -7,-2.6 -2,-0.3 2,-0.5 -0.986 17.5-136.1-147.9 152.8 132.5 35.1 -21.2 64 64 A T E -J 55 0C 48 9,-0.4 2,-0.6 -2,-0.3 9,-0.3 -0.954 20.9-123.7-118.9 130.4 129.4 36.0 -19.3 65 65 A Y - 0 0 0 -11,-2.3 -12,-2.5 -2,-0.5 2,-0.6 -0.573 29.6-174.6 -71.5 115.4 126.1 34.1 -19.3 66 66 A D B > +C 71 0A 55 5,-1.9 5,-1.9 -2,-0.6 4,-0.3 -0.853 13.6 176.1-117.6 94.8 123.4 36.5 -20.4 67 67 A K T 5S+ 0 0 76 -2,-0.6 3,-0.3 3,-0.2 -1,-0.1 0.810 77.4 63.6 -66.4 -30.3 120.0 34.9 -20.2 68 68 A G T 5S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.978 119.9 18.9 -58.0 -62.1 118.4 38.2 -21.1 69 69 A T T 5S- 0 0 79 2,-0.0 -1,-0.2 -46,-0.0 -2,-0.2 0.163 106.2-122.0 -96.1 17.7 119.9 38.6 -24.6 70 70 A T T 5 + 0 0 53 -3,-0.3 -46,-1.7 -4,-0.3 2,-0.3 0.911 63.4 143.3 38.8 66.3 120.7 34.9 -24.7 71 71 A S B < +BC 23 66A 4 -5,-1.9 -5,-1.9 -48,-0.2 -48,-0.2 -0.808 41.9 178.0-130.0 169.7 124.4 35.5 -25.3 72 72 A F - 0 0 0 -50,-1.6 2,-0.4 -2,-0.3 -7,-0.1 -0.298 22.4-174.9-169.2 63.5 127.8 34.2 -24.4 73 73 A H - 0 0 33 -9,-0.3 -9,-0.4 -52,-0.1 -52,-0.2 -0.579 20.3-132.6 -76.5 124.1 130.3 36.3 -26.2 74 74 A L E +I 20 0C 0 -54,-2.3 -54,-1.2 -2,-0.4 2,-0.3 -0.355 30.8 178.4 -70.9 152.4 133.9 35.2 -25.9 75 75 A R E +IK 19 62C 86 -13,-0.9 -13,-1.5 -56,-0.2 2,-0.4 -0.935 18.2 179.1-162.3 136.2 136.5 37.9 -25.0 76 76 A K E -I 18 0C 25 -58,-1.8 -58,-2.5 -2,-0.3 3,-0.3 -0.995 24.3-139.8-136.7 141.3 140.2 38.4 -24.3 77 77 A A S S+ 0 0 74 -17,-0.5 2,-0.5 -2,-0.4 -1,-0.2 0.991 90.4 7.4 -62.8 -66.7 142.1 41.6 -23.5 78 78 A S S S- 0 0 51 -61,-0.1 -1,-0.3 -18,-0.1 -61,-0.2 -0.917 78.8-144.6-125.7 105.4 145.3 41.1 -25.5 79 79 A V - 0 0 0 -63,-2.6 -64,-3.8 -2,-0.5 -63,-0.4 -0.377 9.6-146.4 -70.1 143.1 145.4 38.1 -27.8 80 80 A Q > - 0 0 93 -66,-0.2 3,-1.4 -65,-0.1 -1,-0.0 -0.663 25.8-112.6-103.0 162.3 148.7 36.3 -28.3 81 81 A E G > S+ 0 0 27 1,-0.3 3,-0.6 -2,-0.2 28,-0.3 0.563 113.1 68.4 -75.3 -4.1 149.7 34.7 -31.6 82 82 A S G 3 S+ 0 0 62 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.352 83.0 75.0 -92.4 4.7 149.5 31.3 -30.0 83 83 A D G < + 0 0 13 -3,-1.4 2,-0.5 26,-0.1 -1,-0.2 0.275 62.7 125.2 -97.3 6.9 145.7 31.7 -29.7 84 84 A S < + 0 0 31 -3,-0.6 2,-0.3 25,-0.2 24,-0.2 -0.591 42.0 93.2 -71.6 120.3 145.2 31.1 -33.5 85 85 A A E S- G 0 107B 6 22,-0.7 22,-2.9 -2,-0.5 2,-0.5 -0.963 78.8 -64.4 176.5-175.5 142.7 28.2 -33.8 86 86 A V E -EG 37 106B 35 -49,-2.6 -49,-2.7 -2,-0.3 2,-0.5 -0.843 42.5-157.9-100.3 130.6 139.0 27.4 -34.2 87 87 A Y E -EG 36 105B 0 18,-2.6 18,-2.0 -2,-0.5 2,-0.4 -0.933 6.0-165.1-113.3 123.4 136.6 28.4 -31.4 88 88 A Y E -E 35 0B 9 -53,-2.2 -53,-2.7 -2,-0.5 2,-0.5 -0.831 12.7-146.4-109.6 145.5 133.3 26.8 -30.9 89 89 A a E -E 34 0B 2 -2,-0.4 13,-1.6 -55,-0.2 2,-0.3 -0.923 28.1-168.9-105.5 128.5 130.3 28.0 -28.8 90 90 A A E -EH 33 101B 0 -57,-1.8 -57,-2.3 -2,-0.5 2,-0.3 -0.822 15.8-162.2-123.7 163.7 128.4 25.0 -27.3 91 91 A L E -EH 32 100B 0 9,-1.8 9,-2.2 -2,-0.3 2,-0.6 -0.993 12.1-142.0-142.4 144.6 125.2 24.4 -25.5 92 92 A V E -EH 31 99B 4 -61,-1.2 2,-1.3 -2,-0.3 -61,-0.7 -0.925 2.9-153.6-118.3 119.5 124.1 21.4 -23.4 93 93 A I E >>> - H 0 98B 38 5,-2.9 4,-1.4 -2,-0.6 5,-1.2 -0.737 15.8-163.2 -85.5 98.8 120.5 20.0 -23.5 94 94 A S T 345S+ 0 0 21 -2,-1.3 -1,-0.2 1,-0.2 5,-0.0 0.767 77.8 66.6 -56.9 -30.7 120.5 18.6 -20.0 95 95 A N T 345S+ 0 0 3 1,-0.2 -1,-0.2 -3,-0.1 411,-0.2 0.825 123.7 12.8 -64.0 -31.7 117.5 16.3 -20.5 96 96 A T T <45S- 0 0 4 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.291 101.0-121.5-125.3 3.5 119.2 14.1 -23.0 97 97 A N T <5 + 0 0 0 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.859 57.5 153.6 57.5 39.7 122.8 15.3 -22.5 98 98 A K E < -H 93 0B 38 -5,-1.2 -5,-2.9 151,-0.0 2,-0.5 -0.768 35.0-144.8 -98.1 147.9 123.2 16.3 -26.1 99 99 A V E -H 92 0B 5 -2,-0.3 2,-0.5 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