==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL RECEPTOR 23-JAN-06 2CDF . COMPND 2 MOLECULE: TCR 5E; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.D.GADOLA,M.KOCH,J.MARLES-WRIGHT,N.M.LISSIN,D.SHEPERD,G.MAT . 435 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 37.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 44 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 1 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 . 1 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 . 3 2 8 4 6 2 3 1 0 1 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 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 3 A N 0 0 70 0, 0.0 2,-0.6 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 -47.2 114.0 -14.3 -60.3 2 4 A Q - 0 0 99 99,-0.1 23,-0.7 2,-0.0 2,-0.5 -0.945 360.0-168.4-104.9 105.2 111.5 -11.8 -59.1 3 5 A V E -A 24 0A 11 -2,-0.6 2,-0.5 99,-0.4 101,-0.3 -0.847 7.7-165.2-106.5 123.2 111.5 -9.4 -62.0 4 6 A E E -A 23 0A 96 19,-3.5 19,-3.3 -2,-0.5 2,-0.4 -0.922 2.5-167.0-113.3 127.1 109.8 -6.0 -61.7 5 7 A Q E -A 22 0A 16 -2,-0.5 17,-0.2 17,-0.2 99,-0.1 -0.922 17.5-124.1-117.5 143.4 109.0 -3.8 -64.8 6 8 A S E S+A 21 0A 47 15,-2.0 15,-2.9 -2,-0.4 2,-0.1 -0.991 76.3 19.9-150.2 146.0 107.9 -0.2 -64.7 7 9 A P - 0 0 49 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.740 66.2-150.8 -74.0 166.4 105.9 1.6 -65.6 8 10 A Q S S+ 0 0 135 1,-0.2 99,-2.6 98,-0.2 2,-0.4 0.902 85.5 15.9 -62.8 -44.7 103.1 -1.0 -66.1 9 11 A F E -e 107 0B 138 97,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.982 66.5-173.3-130.5 143.7 101.5 1.1 -68.9 10 12 A L E -e 108 0B 40 97,-2.6 99,-2.6 -2,-0.4 2,-0.5 -0.964 0.8-174.4-139.6 117.1 103.0 4.1 -70.8 11 13 A S E +e 109 0B 82 -2,-0.4 2,-0.3 97,-0.2 99,-0.2 -0.957 20.5 157.6-113.0 131.2 100.9 6.2 -73.2 12 14 A I E -e 110 0B 25 97,-2.2 99,-3.3 -2,-0.5 2,-0.3 -0.974 39.6-105.5-152.3 156.5 102.8 8.8 -75.2 13 15 A Q E > -e 111 0B 44 -2,-0.3 3,-1.5 97,-0.2 65,-0.2 -0.673 47.0 -96.2 -86.9 144.8 102.7 10.9 -78.4 14 16 A E T 3 S+ 0 0 51 97,-3.0 65,-0.2 -2,-0.3 -1,-0.1 -0.176 108.5 40.7 -50.4 147.2 104.9 10.1 -81.4 15 17 A G T 3 S+ 0 0 55 63,-2.9 62,-0.4 1,-0.3 -1,-0.2 -0.023 91.0 114.8 100.9 -31.0 108.2 12.1 -81.5 16 18 A E < - 0 0 108 -3,-1.5 62,-2.9 61,-0.2 -1,-0.3 -0.372 62.4-128.0 -74.3 147.8 108.9 11.8 -77.8 17 19 A N - 0 0 85 60,-0.2 2,-0.3 59,-0.2 59,-0.2 -0.649 30.5-179.7 -83.2 153.5 111.7 9.9 -76.0 18 20 A L E - B 0 75A 12 57,-2.2 57,-2.6 -2,-0.2 2,-0.4 -0.990 18.5-151.1-152.1 152.3 110.9 7.4 -73.2 19 21 A T E - B 0 74A 45 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.998 10.0-169.2-127.1 134.2 112.7 5.0 -70.8 20 22 A V E - B 0 73A 3 53,-2.9 53,-2.5 -2,-0.4 2,-0.3 -0.891 13.4-143.9-119.9 155.9 111.4 1.8 -69.4 21 23 A Y E -AB 6 72A 111 -15,-2.9 -15,-2.0 -2,-0.3 2,-0.4 -0.869 15.2-167.2-128.5 149.0 112.9 -0.2 -66.6 22 24 A a E -AB 5 71A 1 49,-2.3 49,-2.1 -2,-0.3 2,-0.3 -0.991 17.6-177.5-136.6 123.3 113.4 -3.8 -65.4 23 25 A N E +AB 4 70A 72 -19,-3.3 -19,-3.5 -2,-0.4 2,-0.3 -0.938 7.2 176.7-128.2 148.0 114.6 -4.7 -61.9 24 26 A S E -A 3 0A 13 45,-2.0 -21,-0.2 -2,-0.3 4,-0.1 -0.984 32.9-141.9-145.2 149.1 115.4 -7.8 -60.0 25 27 A S S S+ 0 0 86 -23,-0.7 2,-0.3 -2,-0.3 -22,-0.1 0.478 88.4 74.5 -82.2 -3.1 116.7 -8.7 -56.5 26 28 A S S S- 0 0 32 -24,-0.2 2,-0.2 43,-0.2 -2,-0.1 -0.848 86.6-113.9-116.5 142.7 118.8 -11.4 -58.1 27 29 A V - 0 0 66 -2,-0.3 2,-0.4 42,-0.0 42,-0.2 -0.555 31.0-150.2 -74.3 136.2 122.0 -11.2 -60.2 28 30 A F - 0 0 1 40,-3.1 64,-0.2 -2,-0.2 3,-0.1 -0.907 19.6-154.9-109.2 137.8 121.7 -12.2 -63.9 29 31 A S S S- 0 0 18 62,-2.0 2,-0.3 -2,-0.4 63,-0.1 0.745 89.3 -0.5 -75.8 -24.0 124.3 -13.8 -66.1 30 32 A S E -F 91 0B 18 61,-0.9 61,-2.9 38,-0.1 2,-0.4 -0.977 65.1-153.0-159.3 162.7 122.4 -12.3 -69.1 31 33 A L E -FG 90 48B 0 17,-2.3 17,-2.9 -2,-0.3 2,-0.3 -0.996 9.2-164.2-144.4 131.3 119.2 -10.3 -69.8 32 34 A Q E -FG 89 47B 3 57,-3.5 57,-2.8 -2,-0.4 2,-0.4 -0.857 9.4-148.8-115.7 152.2 116.9 -10.1 -72.8 33 35 A W E -FG 88 46B 0 13,-1.5 12,-3.5 -2,-0.3 13,-1.1 -0.964 17.9-173.2-113.3 140.3 114.2 -7.8 -74.0 34 36 A Y E -FG 87 44B 0 53,-3.2 53,-2.8 -2,-0.4 2,-0.5 -0.935 15.1-147.1-127.9 149.1 111.2 -9.0 -76.1 35 37 A R E -FG 86 43B 48 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.986 14.3-168.0-117.7 130.3 108.5 -7.3 -77.8 36 38 A Q E -F 85 0B 19 49,-2.3 49,-2.6 -2,-0.5 5,-0.1 -0.958 5.0-159.6-117.1 132.1 105.0 -8.9 -78.0 37 39 A E > - 0 0 81 -2,-0.4 3,-1.8 4,-0.4 47,-0.1 -0.743 45.5 -78.2-104.4 154.3 102.3 -7.7 -80.3 38 40 A P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.293 115.5 9.3 -64.2 137.3 98.7 -8.7 -79.5 39 41 A G T 3 S+ 0 0 32 1,-0.2 2,-0.3 -3,-0.0 263,-0.1 0.473 115.6 92.7 80.3 4.4 97.8 -12.3 -80.5 40 42 A E S < S- 0 0 95 -3,-1.8 -1,-0.2 1,-0.0 259,-0.1 -0.801 80.5 -93.1-131.0 162.4 101.4 -13.1 -81.3 41 43 A G - 0 0 11 -2,-0.3 -4,-0.4 256,-0.2 258,-0.1 -0.436 50.4 -95.3 -72.0 149.1 104.5 -14.6 -79.7 42 44 A P - 0 0 3 0, 0.0 255,-0.7 0, 0.0 2,-0.4 -0.380 38.3-141.0 -58.8 148.5 107.1 -12.3 -78.1 43 45 A V E -G 35 0B 96 -8,-2.8 -8,-2.5 253,-0.1 2,-0.1 -0.955 16.7-117.0-119.4 122.8 110.0 -11.4 -80.4 44 46 A L E +G 34 0B 40 251,-0.5 -10,-0.3 -2,-0.4 3,-0.1 -0.410 33.1 174.0 -59.7 127.8 113.6 -11.2 -79.1 45 47 A L E - 0 0 46 -12,-3.5 2,-0.3 1,-0.4 -11,-0.2 0.830 59.1 -19.3 -95.6 -47.4 115.1 -7.7 -79.4 46 48 A V E -G 33 0B 6 -13,-1.1 -13,-1.5 2,-0.0 2,-0.4 -0.982 44.4-142.3-158.7 156.3 118.4 -7.9 -77.7 47 49 A T E -G 32 0B 6 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.998 17.2-166.6-125.0 130.2 120.6 -9.9 -75.2 48 50 A V E +G 31 0B 0 -17,-2.9 -17,-2.3 -2,-0.4 3,-0.1 -0.933 15.8 165.6-112.3 143.2 123.0 -8.1 -72.8 49 51 A V + 0 0 59 -2,-0.4 2,-0.5 -19,-0.2 -1,-0.1 0.575 52.2 74.7-126.9 -23.4 125.7 -10.0 -70.9 50 52 A T S > S- 0 0 80 1,-0.0 3,-2.1 -20,-0.0 14,-0.2 -0.856 81.2-114.2-106.5 129.2 128.1 -7.5 -69.4 51 53 A G T 3 S+ 0 0 24 -2,-0.5 15,-0.3 1,-0.3 14,-0.2 -0.369 104.4 15.6 -55.0 129.7 127.5 -5.2 -66.5 52 54 A G T 3 S+ 0 0 31 12,-2.0 -1,-0.3 1,-0.2 14,-0.2 0.268 92.5 148.8 88.5 -8.7 127.4 -1.6 -67.6 53 55 A E < - 0 0 40 -3,-2.1 11,-2.4 12,-0.2 2,-0.5 -0.282 34.4-153.8 -70.5 140.7 127.0 -2.5 -71.3 54 56 A V E -C 63 0A 86 9,-0.2 2,-0.5 2,-0.0 9,-0.2 -0.967 9.4-173.3-112.6 119.9 125.1 -0.3 -73.8 55 57 A K E -C 62 0A 63 7,-2.9 7,-3.4 -2,-0.5 2,-0.5 -0.970 3.8-167.1-112.6 120.1 123.5 -1.9 -76.8 56 58 A K E +C 61 0A 138 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.919 9.3 178.3-106.3 122.5 122.0 0.5 -79.4 57 59 A L E > -C 60 0A 84 3,-3.1 3,-1.7 -2,-0.5 2,-0.2 -0.841 64.2 -65.9-122.2 95.2 119.8 -1.1 -82.0 58 60 A K T 3 S- 0 0 195 -2,-0.4 -1,-0.1 1,-0.2 18,-0.0 -0.468 120.1 -8.0 59.8-125.9 118.5 1.8 -84.2 59 61 A R T 3 S+ 0 0 66 -2,-0.2 17,-2.1 -3,-0.1 2,-0.5 0.529 121.5 87.1 -77.3 -6.9 116.1 4.0 -82.0 60 62 A L E < -CD 57 75A 24 -3,-1.7 -3,-3.1 15,-0.2 2,-0.5 -0.842 57.6-169.6 -98.8 125.2 116.2 1.5 -79.1 61 63 A T E -CD 56 74A 28 13,-3.1 13,-2.9 -2,-0.5 2,-0.4 -0.967 3.9-167.0-117.6 115.5 119.0 1.8 -76.5 62 64 A F E -CD 55 73A 0 -7,-3.4 -7,-2.9 -2,-0.5 2,-0.4 -0.842 2.3-169.7-100.3 138.5 119.4 -1.0 -74.0 63 65 A Q E -CD 54 72A 77 9,-1.9 9,-1.7 -2,-0.4 2,-0.6 -0.982 12.7-149.4-125.4 138.1 121.6 -0.7 -70.9 64 66 A F E - D 0 71A 0 -11,-2.4 -12,-2.0 -2,-0.4 7,-0.2 -0.949 30.1-118.1-103.1 120.4 122.6 -3.5 -68.5 65 67 A G > - 0 0 7 5,-2.7 3,-1.5 -2,-0.6 -12,-0.2 -0.210 23.3-114.2 -51.9 146.6 123.2 -2.2 -64.9 66 68 A D T 3 S+ 0 0 137 -15,-0.3 -15,-0.2 1,-0.3 -1,-0.1 0.809 117.4 47.0 -53.9 -38.3 126.7 -2.7 -63.5 67 69 A A T 3 S- 0 0 57 -16,-0.1 -1,-0.3 -15,-0.0 -39,-0.1 0.559 109.1-125.0 -85.9 -5.2 125.6 -5.2 -60.9 68 70 A R S < S+ 0 0 84 -3,-1.5 -40,-3.1 2,-0.2 -2,-0.1 0.838 84.0 108.2 69.5 33.3 123.6 -7.1 -63.5 69 71 A K S S+ 0 0 73 -42,-0.2 -45,-2.0 1,-0.2 2,-0.3 0.349 79.1 25.9-117.4 -1.5 120.4 -6.9 -61.4 70 72 A D E -B 23 0A 63 -47,-0.2 -5,-2.7 -5,-0.1 2,-0.3 -0.973 56.2-171.2-160.9 162.2 118.6 -4.4 -63.7 71 73 A S E -BD 22 64A 4 -49,-2.1 -49,-2.3 -2,-0.3 2,-0.3 -0.963 9.8-147.4-153.5 158.6 118.3 -3.0 -67.3 72 74 A S E -BD 21 63A 27 -9,-1.7 -9,-1.9 -2,-0.3 2,-0.5 -0.984 4.8-151.4-133.4 149.5 116.6 -0.1 -69.2 73 75 A L E -BD 20 62A 1 -53,-2.5 -53,-2.9 -2,-0.3 2,-0.5 -0.986 16.4-168.9-115.3 122.2 115.2 0.3 -72.6 74 76 A H E -BD 19 61A 53 -13,-2.9 -13,-3.1 -2,-0.5 2,-0.5 -0.947 3.3-161.0-113.1 130.7 115.3 3.9 -74.0 75 77 A I E -BD 18 60A 1 -57,-2.6 -57,-2.2 -2,-0.5 2,-0.4 -0.957 4.6-153.3-114.9 127.0 113.4 4.8 -77.2 76 78 A T S S- 0 0 53 -17,-2.1 -59,-0.2 -2,-0.5 -60,-0.1 -0.797 74.8 -2.9 -95.3 138.5 114.3 7.9 -79.1 77 79 A A S S- 0 0 40 -62,-0.4 -1,-0.2 -2,-0.4 -60,-0.2 0.896 88.5-137.0 47.8 57.1 111.6 9.6 -81.3 78 80 A A - 0 0 2 -62,-2.9 -63,-2.9 -3,-0.3 -62,-0.2 -0.069 19.2-160.4 -43.2 134.6 108.8 7.1 -80.6 79 81 A Q > - 0 0 106 -65,-0.2 3,-2.6 -3,-0.1 4,-0.3 -0.890 32.5-109.4-118.6 151.3 106.7 6.1 -83.6 80 82 A P G > S+ 0 0 42 0, 0.0 3,-2.0 0, 0.0 30,-0.4 0.843 117.2 65.2 -45.4 -40.8 103.3 4.5 -83.6 81 83 A G G 3 S+ 0 0 48 1,-0.3 -3,-0.0 28,-0.1 28,-0.0 0.590 85.9 71.7 -58.4 -13.7 104.9 1.2 -84.8 82 84 A D G < S+ 0 0 10 -3,-2.6 -1,-0.3 2,-0.0 26,-0.2 0.588 71.8 122.8 -78.8 -13.0 106.8 1.0 -81.4 83 85 A T < + 0 0 42 -3,-2.0 2,-0.3 -4,-0.3 26,-0.2 -0.220 41.4 82.2 -51.0 131.4 103.4 0.1 -79.7 84 86 A G E S- H 0 108B 1 24,-2.9 24,-3.0 -47,-0.1 2,-0.6 -0.932 80.5 -56.2 156.7-179.6 103.5 -3.2 -77.9 85 87 A L E -FH 36 107B 30 -49,-2.6 -49,-2.3 -2,-0.3 2,-0.8 -0.839 41.4-153.0 -97.1 118.2 104.4 -5.1 -74.8 86 88 A Y E -FH 35 106B 4 20,-2.8 20,-1.7 -2,-0.6 2,-0.4 -0.815 14.8-166.8 -96.5 109.4 108.0 -4.8 -73.8 87 89 A L E -F 34 0B 5 -53,-2.8 -53,-3.2 -2,-0.8 2,-0.4 -0.808 8.6-156.9-103.1 134.8 109.1 -7.9 -71.8 88 90 A a E -F 33 0B 0 -2,-0.4 15,-2.6 -55,-0.2 2,-0.4 -0.893 13.4-176.3-105.9 136.1 112.3 -8.1 -69.8 89 91 A A E -FI 32 102B 0 -57,-2.8 -57,-3.5 -2,-0.4 2,-0.4 -0.986 6.2-161.1-141.8 127.2 113.8 -11.7 -69.1 90 92 A G E -FI 31 101B 0 11,-2.2 11,-2.8 -2,-0.4 2,-0.5 -0.840 10.1-140.9-110.6 143.4 116.8 -12.6 -67.0 91 93 A A E -FI 30 100B 17 -61,-2.9 -62,-2.0 -2,-0.4 -61,-0.9 -0.890 3.8-159.8-100.2 129.5 118.9 -15.8 -66.9 92 94 A D > - 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