==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 04-APR-12 4EI6 . COMPND 2 MOLECULE: VALPHA1 XV19 TYPE II NATURAL KILLER T CELL RECEPT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS, HOMO SAPIENS; . AUTHOR O.PATEL,J.ROSSJOHN . 875 9 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 324 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 86 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 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 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 . 6 9 12 8 10 3 5 5 1 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 0 6 1 6 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 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 2 A Q 0 0 117 0, 0.0 3,-0.1 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 171.9 15.7 44.0 15.3 2 3 A K + 0 0 36 1,-0.2 23,-1.0 100,-0.1 24,-0.5 0.840 360.0 39.5 -73.4 -33.6 16.7 40.3 15.5 3 4 A V E S-A 24 0A 4 99,-0.3 2,-0.6 21,-0.2 101,-0.3 -0.973 74.2-161.7-119.4 123.0 13.3 39.1 16.9 4 5 A Q E -A 23 0A 16 19,-3.2 19,-2.5 -2,-0.5 2,-0.3 -0.910 7.2-166.5-112.8 116.3 10.1 40.7 15.5 5 6 A Q E -A 22 0A 7 -2,-0.6 17,-0.2 17,-0.2 99,-0.1 -0.741 12.5-128.3 -99.5 146.9 6.9 40.4 17.5 6 7 A S E +A 21 0A 2 15,-2.1 15,-3.0 -2,-0.3 2,-0.1 -0.979 69.0 29.7-146.9 154.4 3.3 41.1 16.4 7 8 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.696 64.0-142.4 -79.9 174.7 0.9 42.5 16.9 8 9 A E S S- 0 0 75 1,-0.2 99,-1.5 -2,-0.1 2,-0.3 0.890 83.6 -7.2 -65.7 -39.8 2.0 45.7 18.8 9 10 A S E -d 107 0B 81 97,-0.2 2,-0.3 76,-0.0 -1,-0.2 -0.977 66.0-160.2-151.3 160.8 -1.0 45.5 21.1 10 11 A L E -d 108 0B 12 97,-2.5 99,-2.8 -2,-0.3 2,-0.5 -0.945 8.6-155.4-152.5 126.2 -4.2 43.4 21.3 11 12 A S E -d 109 0B 66 -2,-0.3 99,-0.2 97,-0.2 97,-0.1 -0.877 21.8-176.3 -99.4 130.5 -7.5 43.8 23.0 12 13 A V E -d 110 0B 0 97,-3.0 99,-2.0 -2,-0.5 3,-0.1 -0.988 24.3-122.7-131.9 130.4 -9.3 40.6 23.8 13 14 A P E > -d 111 0B 11 0, 0.0 3,-2.8 0, 0.0 65,-0.3 -0.428 43.5 -92.5 -69.8 145.7 -12.7 40.0 25.2 14 15 A E T 3 S+ 0 0 51 97,-2.6 65,-0.2 1,-0.3 3,-0.1 -0.337 119.1 22.1 -50.0 134.5 -12.8 37.8 28.4 15 16 A G T 3 S+ 0 0 20 63,-2.9 62,-0.5 1,-0.3 -1,-0.3 0.339 105.9 117.2 83.3 -6.4 -13.4 34.3 27.2 16 17 A G < - 0 0 2 -3,-2.8 62,-2.6 62,-0.2 2,-0.3 -0.212 64.0-106.9 -89.6 178.6 -12.0 35.1 23.8 17 18 A M - 0 0 12 60,-0.2 2,-0.3 59,-0.1 59,-0.2 -0.799 26.1-168.4-111.1 149.2 -8.9 33.9 21.9 18 19 A A E -I 75 0C 1 57,-2.1 57,-3.0 -2,-0.3 2,-0.4 -0.997 6.2-162.2-135.3 142.3 -5.6 35.6 21.2 19 20 A S E -I 74 0C 4 -2,-0.3 2,-0.4 448,-0.2 448,-0.2 -0.993 7.2-169.7-123.3 127.8 -2.7 34.8 18.9 20 21 A L - 0 0 0 53,-2.7 2,-0.3 -2,-0.4 445,-0.1 -0.907 9.1-154.6-112.4 147.1 0.8 36.3 19.2 21 22 A N E -A 6 0A 3 -15,-3.0 -15,-2.1 -2,-0.4 2,-0.4 -0.910 12.6-174.7-125.7 151.1 3.6 35.9 16.6 22 23 A a E -A 5 0A 1 49,-2.3 49,-3.1 -2,-0.3 2,-0.3 -0.978 7.2-179.4-146.0 120.8 7.3 36.1 16.7 23 24 A T E -AB 4 70A 12 -19,-2.5 -19,-3.2 -2,-0.4 2,-0.3 -0.875 3.1-173.6-118.0 156.8 9.6 35.9 13.6 24 25 A S E -A 3 0A 8 45,-0.5 -21,-0.2 44,-0.4 -22,-0.1 -0.995 24.7-158.6-147.7 152.7 13.4 36.0 13.4 25 26 A S + 0 0 87 -23,-1.0 2,-0.9 -2,-0.3 -22,-0.1 0.670 69.3 97.1 -99.2 -22.9 16.0 36.1 10.7 26 27 A D > - 0 0 56 -24,-0.5 3,-2.0 1,-0.2 -1,-0.0 -0.566 53.2-167.5 -79.6 105.0 18.9 34.7 12.8 27 28 A R T 3 S+ 0 0 87 -2,-0.9 -1,-0.2 1,-0.3 42,-0.0 0.611 81.7 73.4 -68.8 -11.2 19.2 31.0 12.1 28 29 A N T 3 S+ 0 0 108 64,-0.1 65,-0.7 2,-0.0 2,-0.4 0.629 71.1 107.1 -75.1 -10.8 21.5 30.6 15.0 29 30 A F E < +E 92 0B 11 -3,-2.0 63,-0.3 63,-0.2 3,-0.1 -0.546 34.0 154.3 -68.9 124.7 18.5 31.0 17.3 30 31 A Q E + 0 0 43 61,-2.3 2,-0.6 -2,-0.4 62,-0.2 0.629 54.5 58.4-120.7 -28.3 17.7 27.6 18.8 31 32 A Y E -E 91 0B 56 60,-2.5 60,-1.7 272,-0.1 2,-0.3 -0.903 63.7-174.5-118.6 105.8 15.9 28.2 22.1 32 33 A F E -E 90 0B 2 -2,-0.6 17,-3.0 17,-0.5 2,-0.3 -0.752 3.4-176.8-102.2 149.4 12.7 30.2 21.9 33 34 A W E -EF 89 48B 15 56,-2.6 56,-2.3 -2,-0.3 2,-0.5 -0.981 24.6-140.7-139.5 149.9 10.6 31.3 24.9 34 35 A W E -EF 88 47B 0 13,-2.7 12,-3.1 -2,-0.3 13,-1.6 -0.977 27.3-175.4-107.5 126.8 7.4 33.1 25.8 35 36 A Y E -EF 87 45B 0 52,-3.1 52,-2.9 -2,-0.5 2,-0.4 -0.882 10.6-152.6-115.3 149.1 7.8 35.5 28.8 36 37 A R E -EF 86 44B 48 8,-2.9 8,-2.6 -2,-0.3 2,-0.5 -0.974 4.9-165.9-121.6 138.3 5.0 37.5 30.5 37 38 A Q E -E 85 0B 16 48,-3.2 48,-2.6 -2,-0.4 2,-0.2 -0.938 6.2-158.5-126.7 112.7 5.5 40.7 32.4 38 39 A H > - 0 0 56 -2,-0.5 3,-2.4 4,-0.4 46,-0.1 -0.505 47.0 -72.0 -80.6 156.4 2.7 42.0 34.6 39 40 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.187 118.6 5.2 -57.0 130.2 2.7 45.7 35.5 40 41 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.406 112.9 100.4 80.3 -1.6 5.5 46.7 37.9 41 42 A E S < S- 0 0 76 -3,-2.4 -1,-0.3 1,-0.1 269,-0.1 -0.541 75.0-104.2-108.8 172.7 7.0 43.2 37.9 42 43 A G - 0 0 6 267,-0.2 -4,-0.4 -2,-0.2 -1,-0.1 -0.579 53.0 -83.1 -85.4 161.4 10.0 41.5 36.2 43 44 A P - 0 0 1 0, 0.0 266,-0.7 0, 0.0 2,-0.4 -0.321 42.9-160.8 -63.9 148.0 9.4 39.1 33.3 44 45 A K E -F 36 0B 95 -8,-2.6 -8,-2.9 264,-0.1 264,-0.1 -0.999 25.3-108.5-132.3 132.0 8.4 35.5 34.1 45 46 A A E -F 35 0B 21 -2,-0.4 -10,-0.3 262,-0.3 3,-0.1 -0.370 27.4-174.8 -61.2 131.6 8.7 32.6 31.7 46 47 A L E - 0 0 37 -12,-3.1 2,-0.3 1,-0.3 -11,-0.2 0.875 65.6 -38.7 -88.8 -56.0 5.4 31.4 30.5 47 48 A M E -F 34 0B 8 -13,-1.6 -13,-2.7 2,-0.0 -1,-0.3 -0.964 53.0-112.5-166.3 153.9 6.8 28.4 28.6 48 49 A S E -F 33 0B 25 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.1 -0.541 18.5-163.2 -80.0 158.2 9.7 27.4 26.4 49 50 A I + 0 0 2 -17,-3.0 -17,-0.5 -2,-0.2 4,-0.1 -0.636 35.9 139.1-143.8 75.2 9.0 26.5 22.8 50 51 A F + 0 0 60 -19,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.634 52.0 68.3 -94.2 -21.3 12.0 24.6 21.6 51 52 A S S S- 0 0 89 2,-0.1 13,-0.4 -3,-0.1 -20,-0.0 -0.851 86.8-101.7-114.8 141.6 10.5 21.9 19.5 52 53 A D S S+ 0 0 109 -2,-0.4 2,-0.2 11,-0.1 13,-0.2 -0.259 86.8 24.2 -55.1 136.3 8.7 21.9 16.1 53 54 A G E S-J 64 0C 17 11,-2.6 11,-1.7 -4,-0.1 2,-0.3 -0.619 101.4 -25.2 110.3-167.6 4.9 21.7 16.6 54 55 A D E -J 63 0C 121 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.615 40.2-169.0 -87.5 145.9 2.3 22.4 19.3 55 56 A K E -J 62 0C 61 7,-2.5 7,-2.5 -2,-0.3 2,-0.5 -0.938 13.7-162.6-133.7 108.9 3.0 22.5 23.0 56 57 A K E +J 61 0C 142 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.817 18.9 168.4-101.2 127.8 -0.2 22.7 25.0 57 58 A E E > -J 60 0C 100 3,-3.1 3,-2.0 -2,-0.5 2,-0.2 -0.845 65.8 -66.8-133.7 96.3 -0.2 23.8 28.7 58 59 A G T 3 S- 0 0 50 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.431 120.0 -5.3 62.0-124.8 -3.8 24.4 29.8 59 60 A R T 3 S+ 0 0 62 -2,-0.2 17,-2.6 -3,-0.1 2,-0.4 0.484 123.8 81.4 -79.2 -4.2 -5.3 27.4 28.0 60 61 A F E < -JK 57 75C 19 -3,-2.0 -3,-3.1 15,-0.2 2,-0.4 -0.870 52.7-177.1-110.5 133.2 -2.0 28.2 26.3 61 62 A T E -JK 56 74C 16 13,-2.3 13,-2.6 -2,-0.4 2,-0.3 -0.974 7.1-164.9-127.3 117.7 -0.5 26.6 23.2 62 63 A A E -J 55 0C 0 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.4 -0.720 9.6-166.5 -92.4 151.9 2.9 27.6 21.9 63 64 A H E -J 54 0C 62 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -1.000 8.1-165.4-141.6 137.7 3.9 26.6 18.4 64 65 A L E -J 53 0C 6 -11,-1.7 -11,-2.6 -13,-0.4 2,-0.7 -0.992 11.1-163.9-123.6 130.0 7.2 26.5 16.6 65 66 A N B >>> -C 70 0A 43 5,-2.8 5,-1.5 -2,-0.4 4,-1.4 -0.907 13.5-169.3-104.0 97.2 7.8 26.2 12.8 66 67 A K T 345S+ 0 0 51 -2,-0.7 -1,-0.1 1,-0.2 5,-0.0 0.773 78.7 59.2 -63.6 -27.8 11.5 25.3 12.9 67 68 A A T 345S+ 0 0 99 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.899 121.1 23.3 -67.2 -42.5 11.9 25.7 9.2 68 69 A S T <45S- 0 0 67 -3,-0.5 -44,-0.4 2,-0.1 -2,-0.2 0.433 102.8-124.4-104.2 -2.0 10.8 29.3 9.1 69 70 A L T <5 + 0 0 26 -4,-1.4 2,-0.6 1,-0.2 -45,-0.5 0.895 54.8 157.3 53.9 41.6 11.6 30.1 12.7 70 71 A H B < BC 23 65A 17 -5,-1.5 -5,-2.8 -47,-0.2 -1,-0.2 -0.868 360.0 360.0 -96.5 130.0 8.1 31.3 13.3 71 72 A V 0 0 5 -49,-3.1 -49,-2.3 -2,-0.6 -7,-0.2 -0.930 360.0 360.0-117.6 360.0 7.0 31.1 16.9 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 74 A L 0 0 3 0, 0.0 -53,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.9 1.3 31.7 21.3 74 75 A H E -IK 19 61C 19 -13,-2.6 -13,-2.3 -55,-0.2 2,-0.5 -0.971 360.0-163.3-116.2 126.4 -2.4 30.9 21.2 75 76 A I E -IK 18 60C 0 -57,-3.0 -57,-2.1 -2,-0.5 3,-0.3 -0.941 4.8-163.3-112.1 125.5 -4.5 31.8 24.3 76 77 A R + 0 0 62 -17,-2.6 -60,-0.2 -2,-0.5 3,-0.1 -0.694 69.0 8.6-100.2 155.3 -7.9 30.3 24.8 77 78 A D S S- 0 0 87 -62,-0.5 -1,-0.2 -2,-0.3 -61,-0.2 0.896 90.1-139.8 45.6 58.9 -10.7 31.4 27.1 78 79 A S - 0 0 0 -62,-2.6 -63,-2.9 -65,-0.3 -62,-0.2 -0.205 17.7-155.1 -61.7 137.3 -8.8 34.6 28.0 79 80 A Q > - 0 0 70 -65,-0.2 3,-2.2 -3,-0.1 4,-0.3 -0.722 28.9-112.2-112.7 157.7 -8.9 35.7 31.6 80 81 A P G > S+ 0 0 50 0, 0.0 3,-2.0 0, 0.0 30,-0.3 0.896 117.9 60.7 -53.6 -41.3 -8.4 39.1 33.3 81 82 A S G 3 S+ 0 0 76 1,-0.3 -3,-0.0 -43,-0.0 0, 0.0 0.589 90.2 71.6 -62.8 -13.1 -5.2 37.8 34.8 82 83 A D G < + 0 0 0 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.636 67.9 110.8 -78.2 -13.2 -3.9 37.3 31.2 83 84 A S < + 0 0 37 -3,-2.0 2,-0.3 -4,-0.3 26,-0.2 -0.507 50.7 104.1 -65.1 120.1 -3.6 41.1 30.7 84 85 A A E S- G 0 108B 1 24,-1.3 24,-2.6 -2,-0.4 2,-0.5 -0.962 77.7 -75.4-178.4 172.8 0.2 41.6 30.6 85 86 A L E -EG 37 107B 1 -48,-2.6 -48,-3.2 -2,-0.3 2,-0.5 -0.852 45.4-154.5 -90.4 129.1 3.1 42.4 28.3 86 87 A Y E -EG 36 106B 0 20,-2.8 20,-2.0 -2,-0.5 2,-0.4 -0.925 10.5-168.3-110.8 125.7 4.1 39.2 26.4 87 88 A F E -E 35 0B 0 -52,-2.9 -52,-3.1 -2,-0.5 2,-0.4 -0.915 16.2-148.3-114.9 138.6 7.6 38.8 25.1 88 89 A a E -E 34 0B 0 -2,-0.4 15,-2.6 -54,-0.2 2,-0.3 -0.839 26.3-176.7 -89.9 138.1 9.2 36.4 22.7 89 90 A A E -EH 33 102B 0 -56,-2.3 -56,-2.6 -2,-0.4 2,-0.3 -0.990 6.1-173.9-138.1 148.7 12.8 35.7 23.6 90 91 A A E -EH 32 101B 0 11,-2.3 11,-2.7 -2,-0.3 2,-0.3 -0.979 5.9-175.6-140.1 154.3 15.5 33.6 21.9 91 92 A S E -E 31 0B 2 -60,-1.7 -60,-2.5 -2,-0.3 -61,-2.3 -0.964 25.4-113.1-142.6 163.8 19.0 32.4 22.5 92 93 A E E -E 29 0B 74 -2,-0.3 2,-0.3 7,-0.3 6,-0.2 -0.419 38.5 -94.4 -88.6 167.0 21.5 30.4 20.5 93 94 A Q + 0 0 61 -65,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.646 59.0 143.1 -80.7 139.6 22.9 27.0 21.3 94 95 A N - 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