==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 15-OCT-12 4HKZ . COMPND 2 MOLECULE: TRASTUZUMAB LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.N.AVERY,C.ZER,K.P.BZYMEK,J.C.WILLIAMS . 551 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 60 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0 2 0 0 0 0 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 6 5 3 4 10 1 1 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 . 1 0 4 1 2 0 0 0 0 1 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 0 140 0, 0.0 2,-0.4 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 161.5 -24.4 -19.7 -4.0 2 2 A I - 0 0 3 93,-0.4 2,-0.3 91,-0.2 88,-0.1 -0.912 360.0-153.5-107.8 131.6 -22.8 -22.9 -2.8 3 3 A Q - 0 0 124 -2,-0.4 23,-1.9 94,-0.0 2,-0.5 -0.838 4.8-146.2-106.3 150.7 -24.0 -24.7 0.3 4 4 A M E -A 25 0A 7 94,-0.4 2,-0.6 -2,-0.3 96,-0.4 -0.960 10.5-160.5-114.0 120.3 -22.0 -26.9 2.6 5 5 A T E -A 24 0A 13 19,-2.9 19,-2.4 -2,-0.5 2,-0.3 -0.913 10.9-162.4-106.0 113.0 -23.9 -29.9 4.1 6 6 A Q E -A 23 0A 9 -2,-0.6 17,-0.3 17,-0.2 94,-0.1 -0.745 12.6-122.4 -97.4 146.8 -22.3 -31.3 7.2 7 7 A S E S+A 22 0A 7 15,-2.3 15,-3.0 -2,-0.3 2,-0.2 -0.983 72.2 18.7-145.6 149.7 -22.9 -34.7 8.8 8 8 A P - 0 0 0 0, 0.0 504,-0.2 0, 0.0 3,-0.1 0.767 63.6-141.8 -75.8-177.0 -23.7 -35.9 11.3 9 9 A S S S+ 0 0 35 502,-2.5 94,-2.4 1,-0.3 2,-0.3 0.819 88.1 1.7 -72.1 -35.3 -25.5 -33.2 13.3 10 10 A S E -dE 103 511B 26 501,-1.4 501,-2.4 92,-0.2 2,-0.3 -0.991 64.1-168.5-153.0 152.1 -23.9 -34.6 16.4 11 11 A L E -dE 104 510B 2 92,-2.4 94,-2.6 -2,-0.3 2,-0.4 -0.997 4.6-162.4-144.4 132.2 -21.5 -37.4 17.3 12 12 A S E +dE 105 509B 9 497,-3.1 497,-1.9 -2,-0.3 2,-0.3 -0.977 22.1 160.7-121.5 128.8 -20.6 -38.9 20.7 13 13 A A E -d 106 0B 0 92,-2.1 94,-3.1 -2,-0.4 2,-0.1 -0.973 35.8-100.0-148.5 159.1 -17.5 -41.0 21.1 14 14 A S E > -d 107 0B 43 -2,-0.3 3,-2.4 493,-0.3 64,-0.3 -0.436 48.8 -87.7 -82.4 152.6 -15.0 -42.3 23.7 15 15 A V T 3 S+ 0 0 72 92,-0.7 64,-0.2 1,-0.3 -1,-0.1 -0.322 118.9 25.5 -52.7 129.6 -11.6 -40.9 24.5 16 16 A G T 3 S+ 0 0 31 62,-2.7 -1,-0.3 1,-0.3 2,-0.1 0.307 93.4 127.2 95.4 -10.8 -9.2 -42.6 22.2 17 17 A D < - 0 0 9 -3,-2.4 61,-2.6 61,-0.1 2,-0.6 -0.417 65.1-114.6 -73.8 155.2 -11.8 -43.4 19.4 18 18 A R - 0 0 105 59,-0.2 2,-0.4 -2,-0.1 58,-0.2 -0.837 36.4-161.1 -91.4 124.0 -11.3 -42.4 15.8 19 19 A V E - B 0 75A 0 56,-3.0 56,-2.8 -2,-0.6 2,-0.4 -0.877 8.7-165.1-116.8 139.5 -13.9 -39.8 14.8 20 20 A T E + B 0 74A 9 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.975 6.7 179.4-131.7 120.9 -15.1 -38.8 11.4 21 21 A I E - B 0 73A 0 52,-2.9 52,-2.8 -2,-0.4 2,-0.3 -0.919 14.2-155.1-117.9 145.4 -17.1 -35.7 10.4 22 22 A T E -AB 7 72A 24 -15,-3.0 -15,-2.3 -2,-0.4 2,-0.4 -0.854 13.6-169.9-126.5 159.6 -18.1 -34.9 6.8 23 23 A a E -AB 6 71A 1 48,-2.5 48,-3.6 -2,-0.3 2,-0.5 -0.992 8.4-160.4-146.4 133.0 -19.0 -31.9 4.7 24 24 A R E -AB 5 70A 70 -19,-2.4 -19,-2.9 -2,-0.4 2,-0.3 -0.971 9.8-144.8-121.7 125.2 -20.5 -32.0 1.2 25 25 A A E -A 4 0A 3 44,-2.5 -21,-0.2 -2,-0.5 4,-0.1 -0.666 16.6-132.5 -84.5 144.5 -20.4 -29.0 -1.2 26 26 A S S S+ 0 0 62 -23,-1.9 2,-0.3 -2,-0.3 -1,-0.1 0.647 89.4 2.4 -74.1 -15.1 -23.4 -28.5 -3.5 27 27 A Q S S- 0 0 105 -24,-0.2 -2,-0.0 42,-0.1 -25,-0.0 -0.942 108.5 -49.6-155.8 176.2 -21.0 -28.1 -6.5 28 28 A D + 0 0 77 -2,-0.3 41,-0.1 1,-0.1 3,-0.1 -0.194 45.7 165.0 -55.3 132.8 -17.3 -28.2 -7.2 29 29 A V > - 0 0 0 1,-0.4 3,-2.4 39,-0.3 62,-0.2 0.126 35.2-143.2-129.8 17.8 -15.1 -26.1 -4.8 30 30 A N T 3 - 0 0 80 1,-0.3 -1,-0.4 2,-0.1 62,-0.0 -0.336 66.9 -40.4 51.7-123.4 -11.8 -27.7 -5.7 31 31 A T T 3 S+ 0 0 51 -3,-0.1 2,-2.7 1,-0.1 -1,-0.3 0.182 99.1 125.6-113.1 14.3 -9.9 -27.9 -2.4 32 32 A A < + 0 0 8 -3,-2.4 59,-2.3 18,-0.2 60,-0.5 -0.285 41.4 119.3 -76.9 60.1 -11.0 -24.5 -1.1 33 33 A V E -F 90 0B 0 -2,-2.7 18,-3.5 57,-0.2 2,-0.3 -0.986 40.7-169.4-132.2 133.9 -12.4 -25.8 2.2 34 34 A A E -F 89 0B 0 55,-2.2 55,-1.9 -2,-0.4 2,-0.4 -0.874 12.3-143.2-119.6 151.6 -11.3 -25.0 5.8 35 35 A W E -FG 88 48B 0 13,-2.9 12,-2.9 -2,-0.3 13,-1.4 -0.966 17.1-169.6-117.7 134.5 -12.2 -26.7 9.1 36 36 A Y E -FG 87 46B 0 51,-2.9 51,-2.4 -2,-0.4 2,-0.5 -0.937 13.7-147.0-123.2 146.3 -12.8 -24.8 12.3 37 37 A Q E -FG 86 45B 24 8,-2.9 8,-2.0 -2,-0.3 2,-0.5 -0.953 16.4-168.4-111.2 124.9 -13.2 -25.9 16.0 38 38 A Q E -F 85 0B 11 47,-3.0 47,-2.6 -2,-0.5 5,-0.1 -0.941 8.2-161.8-123.7 113.2 -15.5 -23.8 18.2 39 39 A K > - 0 0 44 -2,-0.5 3,-2.3 4,-0.4 45,-0.1 -0.633 48.4 -82.2 -78.6 145.6 -15.7 -24.1 22.0 40 40 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.235 115.1 8.8 -57.7 129.6 -18.9 -22.5 23.4 41 41 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.476 112.4 101.2 82.5 3.5 -18.5 -18.8 23.9 42 42 A K S < S- 0 0 121 -3,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.799 79.3 -94.9-120.3 159.3 -15.2 -18.6 22.0 43 43 A A - 0 0 22 -2,-0.3 -4,-0.4 1,-0.1 283,-0.1 -0.409 52.4 -98.0 -61.6 143.8 -14.0 -17.6 18.6 44 44 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.309 37.6-140.3 -57.8 151.7 -13.7 -20.5 16.1 45 45 A K E -G 37 0B 128 -8,-2.0 -8,-2.9 -3,-0.1 2,-0.3 -0.982 14.1-118.8-122.2 129.9 -10.2 -21.8 15.8 46 46 A L E +G 36 0B 5 -2,-0.4 -10,-0.2 276,-0.3 3,-0.1 -0.490 38.2 162.8 -69.6 128.6 -8.7 -22.9 12.4 47 47 A L E + 0 0 5 -12,-2.9 8,-2.7 1,-0.4 2,-0.4 0.787 64.4 11.3-104.6 -53.5 -7.7 -26.5 12.3 48 48 A I E -GH 35 54B 1 -13,-1.4 -13,-2.9 6,-0.2 -1,-0.4 -0.986 60.7-168.7-136.0 138.8 -7.3 -27.4 8.6 49 49 A Y E >> + H 0 53B 42 4,-2.6 4,-2.3 -2,-0.4 3,-0.6 -0.891 69.6 21.7-128.9 160.4 -7.1 -25.2 5.4 50 50 A S T 34 S- 0 0 19 269,-0.5 2,-2.1 -2,-0.3 -18,-0.2 0.907 123.1 -74.4 44.6 47.5 -7.3 -26.1 1.7 51 51 A A T 34 S+ 0 0 2 -18,-3.5 -1,-0.3 1,-0.2 21,-0.2 -0.127 126.9 27.3 72.6 -40.6 -9.0 -29.4 2.6 52 52 A S T <4 S+ 0 0 62 -2,-2.1 2,-0.5 -3,-0.6 12,-0.3 0.399 85.9 106.8-137.1 0.7 -5.9 -31.2 3.9 53 53 A F E < -H 49 0B 110 -4,-2.3 -4,-2.6 10,-0.1 2,-0.4 -0.799 60.6-132.9 -98.8 130.5 -3.3 -28.9 5.4 54 54 A L E -H 48 0B 69 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.628 21.4-124.6 -81.8 123.2 -2.8 -28.7 9.1 55 55 A Y > - 0 0 31 -8,-2.7 3,-2.2 -2,-0.4 -1,-0.1 -0.408 44.4 -81.5 -65.2 145.3 -2.6 -25.2 10.5 56 56 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.168 114.6 13.6 -49.6 130.7 0.5 -24.4 12.6 57 57 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.346 89.3 131.9 84.5 -5.2 0.3 -25.7 16.2 58 58 A V < - 0 0 22 -3,-2.2 -1,-0.3 -11,-0.1 -11,-0.0 -0.654 67.9-102.5 -79.8 132.7 -2.7 -27.9 15.6 59 59 A P > - 0 0 56 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.201 24.9-122.0 -57.4 145.3 -2.2 -31.4 17.0 60 60 A S T 3 S+ 0 0 109 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.557 101.9 81.7 -69.7 -6.0 -1.4 -34.0 14.4 61 61 A R T 3 S+ 0 0 47 16,-0.1 15,-2.5 14,-0.1 2,-0.4 0.702 80.1 80.4 -71.3 -16.2 -4.4 -36.1 15.5 62 62 A F E < +C 75 0A 7 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.756 59.4 160.7 -88.7 135.5 -6.5 -33.8 13.3 63 63 A S E -C 74 0A 58 11,-1.8 11,-3.1 -2,-0.4 2,-0.3 -0.990 20.6-156.8-150.0 154.7 -6.5 -34.4 9.5 64 64 A G E +C 73 0A 12 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.954 10.8 178.0-130.0 150.1 -8.7 -33.6 6.5 65 65 A S E -C 72 0A 61 7,-2.0 7,-2.3 -2,-0.3 2,-0.4 -0.922 13.8-142.8-143.3 172.9 -9.2 -35.1 3.1 66 66 A R E +C 71 0A 94 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.998 13.9 179.4-141.0 136.9 -11.2 -34.6 -0.0 67 67 A S E > S-C 70 0A 72 3,-2.8 3,-2.4 -2,-0.4 2,-0.4 -0.861 70.8 -59.1-135.9 104.2 -12.9 -36.8 -2.6 68 68 A G T 3 S- 0 0 41 -2,-0.3 -39,-0.3 1,-0.3 -1,-0.0 -0.474 121.9 -16.1 63.2-116.3 -14.7 -34.8 -5.3 69 69 A T T 3 S+ 0 0 48 -2,-0.4 -44,-2.5 -41,-0.1 2,-0.5 0.313 118.4 97.7-102.5 7.0 -17.2 -32.6 -3.4 70 70 A D E < -BC 24 67A 53 -3,-2.4 -3,-2.8 -46,-0.2 2,-0.4 -0.862 53.4-170.0 -99.8 127.2 -17.0 -34.7 -0.2 71 71 A F E -BC 23 66A 0 -48,-3.6 -48,-2.5 -2,-0.5 2,-0.4 -0.892 1.9-162.3-118.3 141.7 -14.7 -33.4 2.6 72 72 A T E -BC 22 65A 15 -7,-2.3 -7,-2.0 -2,-0.4 2,-0.5 -0.988 11.1-164.2-128.3 134.8 -13.8 -35.3 5.8 73 73 A L E -BC 21 64A 0 -52,-2.8 -52,-2.9 -2,-0.4 2,-0.4 -0.978 19.1-168.5-109.5 125.6 -12.3 -34.2 9.1 74 74 A T E -BC 20 63A 11 -11,-3.1 -11,-1.8 -2,-0.5 2,-0.6 -0.954 17.7-162.1-119.3 131.5 -10.9 -37.0 11.1 75 75 A I E -BC 19 62A 0 -56,-2.8 -56,-3.0 -2,-0.4 3,-0.4 -0.963 10.9-163.6-106.5 114.0 -9.8 -37.0 14.7 76 76 A S S S+ 0 0 63 -15,-2.5 2,-0.2 -2,-0.6 -1,-0.1 0.747 78.9 17.3 -73.7 -26.4 -7.5 -40.1 15.1 77 77 A S S S- 0 0 44 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.703 85.5-135.5-150.7 90.7 -7.5 -40.3 18.9 78 78 A L - 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