==== 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 IMMUNE SYSTEM 31-MAR-06 2GJJ . COMPND 2 MOLECULE: A21 SINGLE-CHAIN ANTIBODY FRAGMENT AGAINST ERBB2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Z.ZHU . 470 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 39.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 50 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 0 PARALLEL BRIDGES PER LADDER . 5 7 7 4 0 12 2 0 0 0 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 0 0 0 0 0 0 0 0 0 1 1 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 E 0 0 135 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 141.9 -0.1 34.2 45.3 2 0 A A - 0 0 80 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.384 360.0 -82.7 -70.8 155.9 1.6 35.3 42.0 3 1 A D - 0 0 70 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.360 52.1-105.8 -58.3 140.7 5.4 35.2 41.9 4 2 A I - 0 0 7 99,-0.4 2,-0.5 97,-0.2 94,-0.1 -0.569 33.2-151.9 -74.7 127.7 6.9 38.4 43.4 5 3 A V - 0 0 84 -2,-0.3 23,-2.3 100,-0.1 2,-0.5 -0.875 4.2-158.8-102.6 131.0 8.3 40.8 40.8 6 4 A L E -A 27 0A 10 -2,-0.5 102,-0.5 100,-0.4 2,-0.5 -0.951 5.7-162.7-111.6 126.5 11.2 43.1 41.7 7 5 A T E -A 26 0A 75 19,-2.9 19,-2.9 -2,-0.5 2,-0.4 -0.944 4.6-163.3-114.0 121.6 11.6 46.2 39.5 8 6 A Q E -A 25 0A 16 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.882 13.5-131.5-108.2 133.1 14.9 48.0 39.5 9 7 A T E S+A 24 0A 73 15,-1.2 15,-3.0 -2,-0.4 2,-0.1 -0.980 76.4 29.2-134.1 151.8 15.5 51.6 38.3 10 8 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.716 68.8-148.0 -77.1 167.8 17.3 53.0 36.6 11 9 A S S S+ 0 0 95 1,-0.2 100,-2.5 99,-0.2 2,-0.3 0.866 85.6 11.7 -63.9 -39.1 18.3 50.1 34.3 12 10 A S E -d 111 0B 67 98,-0.2 100,-0.2 81,-0.0 -1,-0.2 -0.979 65.2-158.7-140.2 153.4 21.8 51.6 33.9 13 11 A L E -d 112 0B 30 98,-3.0 100,-2.5 -2,-0.3 2,-0.7 -0.905 4.3-162.0-137.6 99.9 23.6 54.4 35.8 14 12 A P E +d 113 0B 103 0, 0.0 2,-0.2 0, 0.0 100,-0.2 -0.787 31.4 154.0 -87.1 112.6 26.6 56.2 34.2 15 13 A V E -d 114 0B 3 98,-3.2 100,-2.1 -2,-0.7 2,-0.3 -0.753 37.3-117.6-132.5 174.4 28.6 57.9 36.9 16 14 A S E > -d 115 0B 29 -2,-0.2 3,-2.1 98,-0.2 70,-0.3 -0.854 43.0 -85.0-114.4 153.6 32.1 59.1 37.8 17 15 A V T 3 S+ 0 0 67 98,-2.2 70,-0.2 -2,-0.3 3,-0.1 -0.293 117.8 26.7 -50.4 132.7 34.5 58.1 40.5 18 16 A G T 3 S+ 0 0 45 68,-2.7 -1,-0.2 1,-0.3 2,-0.1 0.204 93.4 126.5 94.0 -12.4 33.6 60.1 43.7 19 17 A E < - 0 0 79 -3,-2.1 67,-2.6 67,-0.2 2,-0.5 -0.415 60.3-123.3 -79.2 150.6 30.0 60.5 42.7 20 18 A K - 0 0 143 65,-0.2 2,-0.3 -2,-0.1 64,-0.2 -0.848 32.0-168.1 -95.6 127.3 27.1 59.6 45.1 21 19 A V E - B 0 83A 4 62,-2.2 62,-2.3 -2,-0.5 2,-0.3 -0.882 15.1-174.5-120.1 150.4 24.6 57.1 43.6 22 20 A T E - B 0 82A 73 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.997 6.5-179.2-136.2 139.1 21.1 55.8 44.6 23 21 A M E - B 0 81A 0 58,-1.9 58,-2.2 -2,-0.3 2,-0.3 -0.955 16.5-133.9-136.7 153.8 19.1 53.0 42.9 24 22 A T E -AB 9 80A 45 -15,-3.0 -15,-1.2 -2,-0.3 2,-0.4 -0.761 11.9-165.9-115.9 155.6 15.7 51.6 43.6 25 23 A a E -AB 8 79A 0 54,-2.5 54,-2.0 -2,-0.3 2,-0.5 -0.954 12.2-166.3-137.2 113.7 14.1 48.2 43.9 26 24 A K E -AB 7 78A 135 -19,-2.9 -19,-2.9 -2,-0.4 2,-0.4 -0.905 8.4-150.0-103.7 130.0 10.3 48.0 44.0 27 25 A S E -A 6 0A 3 50,-2.3 -21,-0.2 -2,-0.5 4,-0.1 -0.833 13.3-145.1 -98.4 134.2 8.5 44.9 45.1 28 26 A S S S+ 0 0 74 -23,-2.3 2,-0.3 -2,-0.4 -1,-0.1 0.629 93.6 35.2 -68.4 -16.1 5.1 43.9 43.6 29 27 A Q S S- 0 0 60 -24,-0.2 -1,-0.1 47,-0.1 -25,-0.0 -0.990 102.0 -94.5-135.2 146.5 4.3 42.4 47.1 30 28 A T - 0 0 78 -2,-0.3 47,-0.2 1,-0.1 -2,-0.1 -0.273 24.6-163.6 -59.3 142.1 5.4 43.7 50.6 31 29 A L + 0 0 0 45,-2.4 9,-2.3 -4,-0.1 2,-0.6 0.297 57.0 110.9-108.7 5.7 8.5 42.1 51.9 32 30 A L E -Q 39 0C 51 7,-0.2 2,-0.6 8,-0.1 7,-0.2 -0.734 61.7-146.4 -85.3 118.0 7.8 43.3 55.5 33 31 A Y E >>> -Q 38 0C 81 5,-2.6 4,-2.2 -2,-0.6 3,-0.8 -0.779 0.9-153.5 -89.2 116.5 7.0 40.3 57.7 34 32 A S T 345S+ 0 0 97 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.814 89.5 65.1 -59.5 -32.1 4.4 41.4 60.4 35 33 A N T 345S+ 0 0 21 1,-0.2 -1,-0.2 3,-0.1 375,-0.1 0.851 126.0 6.3 -58.8 -41.5 5.6 38.7 62.8 36 34 A N T <45S- 0 0 23 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.374 92.6-122.0-127.5 1.5 9.1 40.2 63.2 37 35 A Q T <5 + 0 0 126 -4,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.747 65.2 140.0 56.7 30.3 9.0 43.5 61.4 38 36 A K E < -Q 33 0C 62 -5,-0.6 -5,-2.6 37,-0.0 2,-0.5 -0.793 52.0-131.4-102.2 144.7 12.0 42.4 59.1 39 37 A N E -Q 32 0C 15 19,-0.3 2,-1.8 -2,-0.3 -7,-0.2 -0.868 11.1-145.8 -96.8 124.3 12.3 43.1 55.4 40 38 A Y + 0 0 15 -9,-2.3 59,-1.8 -2,-0.5 60,-0.4 -0.474 57.4 120.5 -91.9 65.5 13.2 39.9 53.5 41 39 A L E -E 98 0B 0 -2,-1.8 18,-2.8 57,-0.2 2,-0.3 -0.994 37.4-175.1-139.1 133.5 15.3 41.8 50.9 42 40 A A E -E 97 0B 0 55,-2.7 55,-1.8 -2,-0.4 2,-0.4 -0.915 16.3-141.6-130.3 156.4 18.9 41.5 49.8 43 41 A W E -EF 96 56B 0 13,-2.4 12,-2.7 -2,-0.3 13,-1.4 -0.979 17.1-167.5-117.8 127.9 21.3 43.3 47.5 44 42 A Y E -EF 95 54B 0 51,-3.1 51,-2.6 -2,-0.4 2,-0.5 -0.894 9.2-149.1-114.3 146.7 23.9 41.4 45.5 45 43 A Q E -EF 94 53B 15 8,-2.9 8,-2.0 -2,-0.3 2,-0.6 -0.971 9.6-171.7-116.4 121.6 26.9 42.9 43.5 46 44 A Q E -E 93 0B 24 47,-2.9 47,-2.2 -2,-0.5 3,-0.1 -0.904 7.8-163.0-116.4 103.9 28.1 41.2 40.4 47 45 A K > - 0 0 51 -2,-0.6 3,-1.7 4,-0.4 45,-0.2 -0.394 43.4 -72.7 -76.5 157.9 31.4 42.6 39.0 48 46 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.282 116.5 2.2 -58.1 132.4 32.4 41.8 35.4 49 47 A G T 3 S+ 0 0 94 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.662 116.0 99.8 66.6 19.7 33.5 38.2 34.8 50 48 A Q S < S- 0 0 109 -3,-1.7 -1,-0.2 0, 0.0 180,-0.0 -0.879 76.4-102.3-133.5 161.9 32.9 37.3 38.5 51 49 A S - 0 0 32 -2,-0.3 -4,-0.4 1,-0.1 179,-0.1 -0.495 50.2 -91.0 -78.5 153.0 30.3 35.6 40.6 52 50 A P - 0 0 5 0, 0.0 176,-0.4 0, 0.0 2,-0.3 -0.186 37.4-154.1 -58.3 155.4 27.8 37.7 42.6 53 51 A K E -F 45 0B 141 -8,-2.0 -8,-2.9 174,-0.1 2,-0.4 -0.981 20.3-113.0-128.9 146.3 28.5 38.7 46.2 54 52 A L E +F 44 0B 13 172,-0.7 -10,-0.2 -2,-0.3 3,-0.1 -0.654 35.3 168.9 -74.5 126.4 26.1 39.6 49.0 55 53 A L E + 0 0 6 -12,-2.7 8,-2.6 -2,-0.4 2,-0.3 0.829 64.5 1.5 -96.2 -52.3 26.3 43.2 50.1 56 54 A I E -FG 43 62B 0 -13,-1.4 -13,-2.4 6,-0.3 -1,-0.4 -0.992 55.8-174.5-142.9 140.3 23.3 43.6 52.3 57 55 A S E > S+ G 0 61B 13 4,-2.6 4,-2.1 -2,-0.3 3,-0.4 -0.877 71.5 38.2-129.5 169.1 20.5 41.5 53.7 58 56 A W T 4 S- 0 0 17 -2,-0.3 2,-1.4 1,-0.3 -19,-0.3 0.807 123.3 -81.2 57.2 32.4 17.4 42.4 55.8 59 57 A A T 4 S+ 0 0 0 -18,-2.8 -1,-0.3 1,-0.2 21,-0.1 -0.124 126.4 27.5 71.8 -36.5 17.2 45.5 53.6 60 58 A F T 4 S+ 0 0 137 -2,-1.4 2,-0.8 -3,-0.4 12,-0.3 0.456 86.2 108.0-134.1 -8.6 19.9 47.4 55.7 61 59 A T E < -G 57 0B 63 -4,-2.1 -4,-2.6 10,-0.1 2,-0.2 -0.694 57.6-145.5 -84.2 111.0 22.3 44.8 57.3 62 60 A R E -G 56 0B 88 -2,-0.8 -6,-0.3 -6,-0.2 2,-0.2 -0.504 19.2-115.8 -69.3 135.8 25.7 44.9 55.6 63 61 A K > - 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