==== 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 07-JAN-13 4IOI . COMPND 2 MOLECULE: TRASTUZUMAB LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.BZYMEK,C.ZER,K.N.AVERY,J.C.WILLIAMS . 562 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 1 0.2 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 . 56 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 4 5 7 3 4 9 2 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 . 2 0 5 0 1 0 0 0 0 0 0 0 0 0 0 1 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 0 135 0, 0.0 2,-0.4 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 163.8 -24.4 -19.6 -3.8 2 2 A I - 0 0 2 93,-0.4 2,-0.3 91,-0.2 88,-0.1 -0.909 360.0-156.2-106.5 134.0 -22.6 -22.8 -2.7 3 3 A Q - 0 0 122 -2,-0.4 23,-1.9 94,-0.0 2,-0.5 -0.826 7.3-143.5-109.9 154.8 -23.8 -24.7 0.4 4 4 A M E -A 25 0A 11 94,-0.4 2,-0.7 -2,-0.3 96,-0.4 -0.970 10.6-156.8-117.5 121.2 -21.9 -27.0 2.7 5 5 A T E -A 24 0A 38 19,-2.8 19,-2.5 -2,-0.5 2,-0.4 -0.887 13.7-164.0-106.3 112.3 -23.8 -30.0 4.0 6 6 A Q E -A 23 0A 21 -2,-0.7 17,-0.2 17,-0.2 94,-0.1 -0.767 9.3-132.2-103.9 138.1 -22.2 -31.3 7.2 7 7 A S E +A 22 0A 5 15,-2.1 15,-2.9 -2,-0.4 2,-0.2 -0.993 68.5 17.8-149.6 147.8 -22.8 -34.7 8.8 8 8 A P - 0 0 1 0, 0.0 503,-0.2 0, 0.0 14,-0.1 0.748 59.9-155.0 -80.6 178.0 -23.5 -36.0 11.3 9 9 A I S S+ 0 0 22 501,-1.9 94,-3.1 1,-0.3 2,-0.4 0.807 83.9 25.9 -84.8 -29.5 -24.8 -33.2 13.5 10 10 A L E +dE 103 510B 11 500,-1.2 500,-1.9 92,-0.2 2,-0.4 -0.995 66.5 178.2-134.2 138.2 -23.8 -34.9 16.7 11 11 A L E -dE 104 509B 0 92,-2.8 94,-2.5 -2,-0.4 2,-0.4 -0.988 5.7-169.7-142.7 129.7 -21.1 -37.5 17.3 12 12 A S E +dE 105 508B 12 496,-3.0 496,-2.2 -2,-0.4 2,-0.3 -0.977 16.6 160.6-120.4 129.6 -20.1 -39.2 20.6 13 13 A A E -d 106 0B 0 92,-2.0 94,-2.4 -2,-0.4 2,-0.2 -0.942 36.6-102.3-142.7 165.6 -17.0 -41.4 21.0 14 14 A S E > -d 107 0B 45 -2,-0.3 3,-2.2 92,-0.2 64,-0.2 -0.511 54.2 -80.2 -85.2 157.1 -14.6 -42.8 23.7 15 15 A V T 3 S+ 0 0 76 92,-0.6 64,-0.2 1,-0.3 -1,-0.1 -0.304 119.0 21.6 -54.3 130.1 -11.2 -41.3 24.4 16 16 A G T 3 S+ 0 0 30 62,-3.1 -1,-0.3 1,-0.3 63,-0.1 0.319 92.2 131.6 92.8 -9.5 -8.7 -42.6 21.9 17 17 A D < - 0 0 9 -3,-2.2 61,-2.9 61,-0.2 2,-0.6 -0.371 61.8-116.0 -72.8 156.1 -11.3 -43.4 19.2 18 18 A R - 0 0 118 59,-0.2 2,-0.4 -3,-0.1 58,-0.2 -0.830 36.6-166.1 -89.5 120.0 -10.9 -42.4 15.6 19 19 A V E - B 0 75A 0 56,-2.5 56,-2.4 -2,-0.6 2,-0.4 -0.892 7.6-158.0-115.2 148.7 -13.7 -40.0 14.7 20 20 A T E - B 0 74A 15 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.974 7.7-176.4-128.1 126.8 -14.8 -38.8 11.2 21 21 A I E - B 0 73A 1 52,-2.7 52,-2.9 -2,-0.4 2,-0.3 -0.950 15.1-155.6-120.1 143.3 -16.8 -35.7 10.3 22 22 A T E -AB 7 72A 20 -15,-2.9 -15,-2.1 -2,-0.4 2,-0.3 -0.861 13.8-171.3-127.4 157.0 -17.9 -35.0 6.8 23 23 A a E -AB 6 71A 2 48,-2.6 48,-3.3 -2,-0.3 2,-0.5 -0.989 7.7-159.5-145.6 130.8 -18.9 -32.0 4.6 24 24 A R E -AB 5 70A 61 -19,-2.5 -19,-2.8 -2,-0.3 2,-0.2 -0.959 10.9-144.8-118.4 122.6 -20.4 -32.0 1.1 25 25 A A E -A 4 0A 3 44,-2.5 -21,-0.2 -2,-0.5 4,-0.1 -0.580 16.5-132.7 -79.5 143.7 -20.2 -29.0 -1.2 26 26 A S S S+ 0 0 61 -23,-1.9 2,-0.3 -2,-0.2 -1,-0.1 0.646 88.4 2.4 -75.6 -12.9 -23.2 -28.4 -3.4 27 27 A Q S S- 0 0 105 -24,-0.2 -1,-0.1 42,-0.1 -25,-0.0 -0.943 109.1 -48.9-158.5 171.1 -20.9 -27.9 -6.4 28 28 A D + 0 0 79 -2,-0.3 41,-0.1 1,-0.1 3,-0.1 -0.179 46.8 165.4 -49.8 127.3 -17.1 -28.0 -7.2 29 29 A V > - 0 0 1 1,-0.4 3,-2.5 39,-0.3 62,-0.2 0.140 34.9-143.9-123.3 15.5 -15.1 -26.0 -4.7 30 30 A N T 3 - 0 0 78 1,-0.3 -1,-0.4 2,-0.1 62,-0.0 -0.362 66.4 -39.6 50.7-126.8 -11.7 -27.5 -5.7 31 31 A T T 3 S+ 0 0 51 1,-0.1 2,-2.1 -3,-0.1 -1,-0.3 0.081 100.7 126.0-108.5 21.3 -9.7 -27.8 -2.4 32 32 A A < + 0 0 7 -3,-2.5 59,-2.2 18,-0.2 60,-0.4 -0.275 39.9 117.1 -84.6 56.9 -10.9 -24.5 -1.1 33 33 A V E -F 90 0B 0 -2,-2.1 18,-3.3 57,-0.2 2,-0.3 -0.982 40.1-170.8-130.4 131.6 -12.2 -25.8 2.3 34 34 A A E -F 89 0B 0 55,-2.3 55,-2.0 -2,-0.4 2,-0.4 -0.822 12.5-144.2-115.1 157.7 -11.1 -25.1 5.8 35 35 A W E -FG 88 48B 0 13,-2.5 12,-3.0 -2,-0.3 13,-1.4 -0.981 16.8-168.5-123.0 134.1 -12.1 -26.7 9.1 36 36 A Y E -FG 87 46B 0 51,-2.7 51,-2.4 -2,-0.4 2,-0.4 -0.903 11.6-145.0-122.1 150.9 -12.6 -24.8 12.4 37 37 A Q E -FG 86 45B 3 8,-2.6 8,-2.2 -2,-0.3 2,-0.5 -0.912 10.3-165.8-113.1 140.4 -12.9 -25.9 16.0 38 38 A Q E -F 85 0B 0 47,-2.7 47,-2.5 -2,-0.4 2,-0.2 -0.928 5.3-166.3-132.6 111.3 -15.1 -24.0 18.5 39 39 A R > - 0 0 104 -2,-0.5 3,-2.9 4,-0.4 45,-0.1 -0.494 46.2 -65.4 -90.4 162.0 -14.8 -24.6 22.2 40 40 A T T 3 S- 0 0 57 43,-0.3 522,-0.2 1,-0.3 -1,-0.2 -0.177 123.3 -1.0 -51.3 129.3 -17.2 -23.5 24.8 41 41 A N T 3 S+ 0 0 107 520,-3.0 -1,-0.3 1,-0.2 521,-0.2 0.609 114.0 119.2 62.1 16.6 -17.3 -19.7 25.0 42 42 A G < - 0 0 20 -3,-2.9 -1,-0.2 519,-0.3 3,-0.1 -0.502 64.7-113.8-107.7 173.9 -14.6 -19.6 22.3 43 43 A S - 0 0 30 -2,-0.2 -4,-0.4 282,-0.1 -6,-0.1 -0.662 52.2 -80.3 -95.7 160.8 -14.1 -18.2 18.8 44 44 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.356 47.7-154.6 -61.0 142.4 -13.7 -20.5 15.8 45 45 A R E -G 37 0B 82 -8,-2.2 -8,-2.6 279,-0.1 2,-0.2 -0.988 16.8-117.3-126.1 128.2 -10.1 -21.8 15.6 46 46 A L E +G 36 0B 4 -2,-0.4 -10,-0.2 277,-0.3 3,-0.1 -0.439 39.9 160.5 -69.9 129.7 -8.5 -22.9 12.3 47 47 A L E + 0 0 0 -12,-3.0 8,-2.7 1,-0.4 2,-0.4 0.770 65.7 12.9-105.9 -53.9 -7.5 -26.5 12.2 48 48 A I E -GH 35 54B 1 -13,-1.4 -13,-2.5 6,-0.2 -1,-0.4 -0.986 62.6-171.0-133.5 135.5 -7.1 -27.4 8.5 49 49 A Y E >> + H 0 53B 42 4,-2.4 4,-2.3 -2,-0.4 3,-0.6 -0.888 68.5 22.5-127.2 163.9 -7.0 -25.3 5.4 50 50 A S T 34 S- 0 0 19 270,-0.4 2,-1.9 -2,-0.3 -1,-0.2 0.890 122.8 -75.3 44.3 46.3 -7.0 -26.1 1.7 51 51 A A T 34 S+ 0 0 1 -18,-3.3 -1,-0.3 1,-0.2 21,-0.2 -0.165 126.3 27.5 74.7 -41.4 -8.8 -29.4 2.5 52 52 A S T <4 S+ 0 0 62 -2,-1.9 2,-0.5 -3,-0.6 12,-0.3 0.358 86.5 107.5-140.8 4.0 -5.8 -31.3 3.8 53 53 A F E < -H 49 0B 110 -4,-2.3 -4,-2.4 10,-0.1 2,-0.4 -0.799 60.6-130.2-102.6 129.8 -3.1 -29.0 5.3 54 54 A L E -H 48 0B 66 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.1 -0.575 22.3-128.1 -77.6 126.1 -2.5 -28.8 9.1 55 55 A Y > - 0 0 26 -8,-2.7 3,-2.0 -2,-0.4 -1,-0.1 -0.433 42.2 -82.3 -70.7 147.4 -2.4 -25.3 10.5 56 56 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.218 114.1 14.1 -52.4 131.0 0.6 -24.4 12.6 57 57 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.349 91.0 128.1 86.4 -6.2 0.4 -25.6 16.2 58 58 A V < - 0 0 12 -3,-2.0 -1,-0.3 -11,-0.2 -11,-0.0 -0.705 69.7-100.6 -84.6 131.9 -2.6 -27.9 15.6 59 59 A P > - 0 0 39 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.153 24.6-123.6 -54.1 144.0 -2.1 -31.5 16.9 60 60 A S T 3 S+ 0 0 112 1,-0.3 16,-0.1 -6,-0.1 -2,-0.0 0.626 102.5 80.1 -67.9 -12.8 -1.1 -34.0 14.2 61 61 A R T 3 S+ 0 0 48 16,-0.1 15,-2.4 14,-0.1 2,-0.4 0.706 79.7 83.1 -66.2 -17.2 -4.1 -36.2 15.2 62 62 A F E < +C 75 0A 3 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.761 58.7 161.5 -85.3 132.3 -6.2 -33.9 13.1 63 63 A S E -C 74 0A 55 11,-2.2 11,-3.1 -2,-0.4 2,-0.3 -0.983 19.6-157.5-146.1 154.6 -6.2 -34.6 9.3 64 64 A G E -C 73 0A 12 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.958 8.1-174.4-131.4 154.6 -8.4 -33.6 6.4 65 65 A S E -C 72 0A 55 7,-2.0 7,-2.3 -2,-0.3 2,-0.4 -0.970 11.6-146.1-143.9 162.6 -9.1 -35.1 3.0 66 66 A R E +C 71 0A 95 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.985 13.6 175.1-128.4 138.0 -11.0 -34.3 -0.2 67 67 A S E > S-C 70 0A 79 3,-2.8 3,-2.3 -2,-0.4 2,-0.5 -0.818 70.7 -59.8-137.7 102.1 -12.8 -36.6 -2.7 68 68 A G T 3 S- 0 0 41 -2,-0.3 -39,-0.3 1,-0.3 -1,-0.0 -0.528 122.1 -16.2 63.7-116.4 -14.6 -34.6 -5.4 69 69 A T T 3 S+ 0 0 45 -2,-0.5 -44,-2.5 -41,-0.1 2,-0.5 0.318 118.7 99.1-100.6 6.4 -17.1 -32.5 -3.5 70 70 A D E < -BC 24 67A 56 -3,-2.3 -3,-2.8 -46,-0.2 2,-0.4 -0.843 51.5-172.7-100.9 125.8 -16.8 -34.6 -0.3 71 71 A F E -BC 23 66A 0 -48,-3.3 -48,-2.6 -2,-0.5 2,-0.4 -0.916 2.5-164.8-119.6 140.1 -14.5 -33.3 2.5 72 72 A T E -BC 22 65A 17 -7,-2.3 -7,-2.0 -2,-0.4 2,-0.5 -0.985 10.8-159.9-129.9 134.7 -13.6 -35.3 5.7 73 73 A L E -BC 21 64A 0 -52,-2.9 -52,-2.7 -2,-0.4 2,-0.4 -0.966 17.5-167.9-107.5 127.6 -12.1 -34.2 9.0 74 74 A T E -BC 20 63A 12 -11,-3.1 -11,-2.2 -2,-0.5 2,-0.6 -0.950 17.3-164.8-118.6 134.1 -10.5 -37.0 11.0 75 75 A I E -BC 19 62A 1 -56,-2.4 -56,-2.5 -2,-0.4 3,-0.4 -0.977 12.1-162.4-109.9 114.0 -9.4 -37.0 14.6 76 76 A S S S+ 0 0 52 -15,-2.4 2,-0.2 -2,-0.6 -1,-0.1 0.762 79.4 18.2 -75.6 -24.8 -7.2 -40.1 14.9 77 77 A S S S- 0 0 41 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.689 86.2-136.1-149.4 87.1 -7.2 -40.4 18.7 78 78 A L - 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