==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/HYDROLASE 02-MAY-08 2ZNX . COMPND 2 MOLECULE: SCFV; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS, UNIDENTIFIED; . AUTHOR M.E.DESANTIS,M.ACCHIONE,M.LI,R.L.WALTER,A.WLODAWER,S.SMITH-G . 700 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 62 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 2 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 7 6 10 2 3 12 1 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 . 2 2 4 0 1 1 0 0 0 0 0 1 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 98 0, 0.0 2,-0.5 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 150.2 -31.0 -0.4 4.2 2 2 A I - 0 0 8 93,-0.4 2,-0.5 91,-0.1 88,-0.1 -0.668 360.0-151.3 -75.1 125.4 -30.0 1.9 1.4 3 3 A V - 0 0 87 -2,-0.5 23,-2.2 94,-0.1 2,-0.5 -0.890 5.2-158.5-100.0 128.1 -27.2 4.2 2.4 4 4 A L E -A 25 0A 9 -2,-0.5 96,-0.6 94,-0.5 2,-0.6 -0.943 4.8-160.5-108.8 121.4 -27.1 7.6 0.6 5 5 A T E -A 24 0A 57 19,-3.4 19,-2.6 -2,-0.5 2,-0.4 -0.908 6.8-165.1-108.8 119.6 -23.7 9.3 0.6 6 6 A Q E -A 23 0A 19 -2,-0.6 17,-0.2 17,-0.2 3,-0.0 -0.822 12.4-132.8-103.2 142.1 -23.7 13.1 -0.0 7 7 A S E S+A 22 0A 53 15,-1.7 15,-2.3 -2,-0.4 2,-0.1 -0.983 73.5 30.3-149.7 150.9 -20.6 15.2 -0.9 8 8 A P - 0 0 54 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.665 67.3-149.4 -74.7 162.4 -19.2 17.6 -0.3 9 9 A A S S+ 0 0 73 1,-0.2 94,-2.2 93,-0.1 2,-0.3 0.850 84.0 10.1 -61.4 -38.8 -20.3 17.8 3.4 10 10 A T E -d 103 0B 83 92,-0.2 2,-0.3 75,-0.0 94,-0.2 -0.981 68.8-168.2-140.6 152.4 -20.1 21.6 3.3 11 11 A L E -d 104 0B 42 92,-3.1 94,-3.7 -2,-0.3 2,-0.4 -0.997 7.4-158.0-143.4 135.4 -19.8 24.1 0.5 12 12 A S E +d 105 0B 83 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.954 23.8 167.9-113.8 136.3 -19.1 27.9 0.4 13 13 A V E -d 106 0B 13 92,-2.5 94,-2.8 -2,-0.4 6,-0.0 -0.985 32.8-124.6-148.8 150.1 -20.1 29.9 -2.6 14 14 A T > - 0 0 73 -2,-0.3 3,-1.8 92,-0.2 64,-0.3 -0.786 46.3 -94.4 -91.9 143.0 -20.6 33.4 -3.8 15 15 A P T 3 S+ 0 0 47 0, 0.0 64,-0.2 0, 0.0 3,-0.1 -0.225 112.2 34.1 -51.5 144.0 -24.0 34.5 -5.3 16 16 A G T 3 S+ 0 0 44 62,-3.0 2,-0.1 1,-0.4 63,-0.1 0.078 95.3 109.4 93.9 -23.8 -24.1 34.2 -9.0 17 17 A N < - 0 0 91 -3,-1.8 61,-3.5 61,-0.2 -1,-0.4 -0.460 66.7-124.0 -77.7 158.0 -21.9 31.1 -9.0 18 18 A S - 0 0 80 59,-0.3 2,-0.3 58,-0.2 58,-0.2 -0.779 23.9-163.3-105.0 148.9 -23.2 27.7 -9.8 19 19 A V E - B 0 75A 14 56,-1.8 56,-2.5 -2,-0.3 2,-0.4 -0.941 12.5-154.3-132.8 155.7 -23.0 24.5 -7.7 20 20 A S E - B 0 74A 75 -2,-0.3 2,-0.5 54,-0.2 54,-0.2 -0.977 8.6-164.2-129.7 119.3 -23.4 20.7 -8.0 21 21 A L E - B 0 73A 0 52,-3.0 52,-2.6 -2,-0.4 2,-0.4 -0.883 14.2-147.0-104.2 129.4 -24.3 18.5 -5.0 22 22 A S E -AB 7 72A 31 -15,-2.3 -15,-1.7 -2,-0.5 2,-0.4 -0.763 16.0-177.8-100.0 140.2 -23.7 14.8 -5.4 23 23 A a E -AB 6 71A 0 48,-2.7 48,-2.4 -2,-0.4 2,-0.4 -0.986 5.8-175.1-131.2 122.4 -25.7 11.9 -3.9 24 24 A R E -AB 5 70A 126 -19,-2.6 -19,-3.4 -2,-0.4 2,-0.3 -0.941 12.7-144.0-117.7 149.0 -24.7 8.3 -4.4 25 25 A A E -A 4 0A 13 44,-1.9 -21,-0.2 -2,-0.4 4,-0.1 -0.841 17.5-131.9-112.7 144.5 -26.6 5.3 -3.3 26 26 A S S S+ 0 0 70 -23,-2.2 2,-0.3 -2,-0.3 -22,-0.1 0.663 95.9 17.1 -67.2 -19.9 -25.3 1.9 -1.9 27 27 A Q S S- 0 0 97 -24,-0.2 2,-0.1 41,-0.1 -2,-0.0 -0.956 102.2 -74.4-147.4 166.1 -27.7 0.2 -4.4 28 28 A S + 0 0 76 -2,-0.3 41,-0.2 1,-0.1 -2,-0.1 -0.371 41.2 172.5 -68.9 132.4 -29.6 1.0 -7.5 29 29 A I > - 0 0 0 39,-2.7 3,-2.3 1,-0.3 2,-0.3 0.191 29.4-141.5-126.5 16.9 -32.7 3.1 -6.9 30 30 A G T 3 S- 0 0 18 1,-0.3 38,-1.5 2,-0.1 -1,-0.3 -0.418 71.1 -32.3 62.4-120.6 -33.9 4.0 -10.4 31 31 A N T 3 S+ 0 0 11 -2,-0.3 2,-1.9 36,-0.2 -1,-0.3 0.187 104.5 118.3-108.6 13.7 -35.2 7.5 -10.4 32 32 A N < + 0 0 0 -3,-2.3 59,-1.9 18,-0.2 60,-0.6 -0.341 39.0 114.8 -91.4 59.3 -36.5 7.4 -6.8 33 33 A L E -E 90 0B 0 -2,-1.9 18,-3.2 57,-0.2 2,-0.3 -0.994 43.5-167.4-131.8 121.1 -34.4 10.1 -5.3 34 34 A H E -E 89 0B 15 55,-3.3 55,-2.0 -2,-0.4 2,-0.4 -0.821 10.8-138.6-114.7 152.1 -35.8 13.3 -4.0 35 35 A X E -EF 88 48B 0 13,-3.3 12,-3.5 -2,-0.3 13,-1.2 -0.932 17.3-173.8-116.6 132.2 -34.1 16.6 -2.9 36 36 A Y E -EF 87 46B 8 51,-3.1 51,-2.2 -2,-0.4 2,-0.4 -0.920 15.2-152.5-120.6 145.8 -34.9 18.8 0.1 37 37 A Q E -EF 86 45B 11 8,-2.7 8,-2.7 -2,-0.4 2,-0.4 -0.952 17.3-173.0-105.9 135.0 -33.7 22.1 1.3 38 38 A Q E -E 85 0B 5 47,-2.9 47,-2.9 -2,-0.4 2,-0.3 -0.969 8.2-155.9-131.4 124.2 -33.8 22.7 5.1 39 39 A K > - 0 0 36 -2,-0.4 3,-0.8 4,-0.4 45,-0.1 -0.742 54.4 -60.6 -97.9 142.7 -33.1 26.0 6.8 40 40 A S T 3 S- 0 0 112 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.186 117.6 -22.3 -25.0 103.5 -31.9 26.2 10.4 41 41 A H T 3 S+ 0 0 110 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.922 105.5 109.5 36.2 73.0 -34.9 24.6 12.2 42 42 A E S < S- 0 0 94 -3,-0.8 -1,-0.2 3,-0.0 171,-0.1 -0.835 79.2 -77.0-137.0 174.7 -37.8 24.9 9.9 43 43 A S - 0 0 32 -2,-0.3 -4,-0.4 169,-0.1 -6,-0.1 -0.422 55.1 -95.6 -71.9 150.5 -39.4 21.9 8.1 44 44 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.274 35.6-142.9 -57.7 150.7 -37.6 20.5 5.0 45 45 A R E -F 37 0B 108 -8,-2.7 -8,-2.7 -3,-0.1 2,-0.3 -0.991 13.0-125.1-123.3 128.1 -38.9 21.8 1.6 46 46 A L E +F 36 0B 11 162,-0.5 -10,-0.2 -2,-0.5 3,-0.1 -0.519 34.4 167.0 -71.3 127.0 -39.1 19.5 -1.4 47 47 A L E + 0 0 3 -12,-3.5 8,-0.7 1,-0.4 2,-0.3 0.787 65.5 11.4-109.4 -44.6 -37.1 21.0 -4.3 48 48 A I E -FG 35 54B 2 -13,-1.2 -13,-3.3 6,-0.1 -1,-0.4 -0.995 64.8-161.5-139.8 135.9 -36.9 18.1 -6.9 49 49 A K E > S+ G 0 53B 69 4,-2.2 4,-2.2 -2,-0.3 3,-0.4 -0.896 70.2 14.4-118.7 152.8 -38.7 14.7 -6.9 50 50 A Y T 4 S- 0 0 15 -2,-0.3 2,-2.4 1,-0.3 -16,-0.2 0.904 122.0 -70.9 50.0 51.3 -37.8 11.5 -8.8 51 51 A A T 4 S+ 0 0 2 -18,-3.2 -1,-0.3 1,-0.2 21,-0.2 -0.207 128.4 17.3 72.2 -45.6 -34.3 12.7 -9.7 52 52 A S T 4 S+ 0 0 71 -2,-2.4 2,-0.4 -3,-0.4 12,-0.3 0.409 86.4 120.6-139.0 -1.5 -35.2 15.4 -12.2 53 53 A Q E < -G 49 0B 30 -4,-2.2 -4,-2.2 10,-0.1 -2,-0.1 -0.612 56.9-126.7 -84.4 129.0 -38.9 16.3 -11.9 54 54 A S E -G 48 0B 99 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.1 -0.347 13.6-140.7 -71.7 148.0 -39.7 20.0 -11.1 55 55 A I > - 0 0 25 -8,-0.7 3,-1.7 4,-0.1 2,-0.1 -0.920 29.4-103.6-110.0 135.6 -41.9 21.0 -8.2 56 56 A S T 3 S+ 0 0 125 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.326 104.8 18.8 -58.9 131.1 -44.4 23.8 -8.7 57 57 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.1 3,-0.0 0.250 92.5 122.2 92.1 -13.5 -43.3 27.1 -7.0 58 58 A I S < S- 0 0 34 -3,-1.7 -1,-0.3 -11,-0.1 -11,-0.0 -0.681 72.4-101.6 -81.5 134.0 -39.7 26.0 -6.8 59 59 A P > - 0 0 46 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 -0.276 23.6-118.9 -62.3 140.9 -37.3 28.5 -8.7 60 60 A S T 3 S+ 0 0 122 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.642 103.6 77.0 -46.3 -26.6 -36.0 27.5 -12.1 61 61 A R T 3 S+ 0 0 31 14,-0.1 15,-3.1 16,-0.1 2,-0.4 0.681 80.5 80.2 -70.3 -16.7 -32.3 27.6 -10.9 62 62 A F E < +C 75 0A 12 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.769 56.2 156.8 -89.9 130.2 -32.7 24.2 -9.2 63 63 A S E -C 74 0A 61 11,-2.0 11,-3.1 -2,-0.4 2,-0.3 -0.982 23.5-149.1-148.1 156.2 -32.5 21.1 -11.4 64 64 A G E +C 73 0A 10 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.936 14.8 173.2-127.9 152.1 -31.7 17.5 -10.8 65 65 A S E +C 72 0A 60 7,-2.2 7,-2.7 -2,-0.3 2,-0.2 -0.946 27.9 72.4-148.2 170.1 -30.1 14.7 -12.8 66 66 A G E -C 71 0A 41 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.535 40.0-151.3 114.5 176.7 -28.9 11.1 -12.5 67 67 A S E > +C 70 0A 82 3,-1.7 3,-2.0 -2,-0.2 2,-1.0 -0.943 60.9 22.7-176.5 164.9 -30.2 7.6 -12.2 68 68 A G T 3 S- 0 0 17 -38,-1.5 -39,-2.7 -2,-0.3 -41,-0.1 -0.518 131.7 -20.0 70.7-101.3 -29.3 4.2 -10.7 69 69 A T T 3 S+ 0 0 66 -2,-1.0 -44,-1.9 -41,-0.2 2,-0.5 0.384 123.1 76.0-120.4 -2.3 -26.8 5.0 -8.0 70 70 A D E < +BC 24 67A 87 -3,-2.0 -3,-1.7 -46,-0.2 2,-0.3 -0.956 52.6 166.9-130.0 122.8 -25.6 8.5 -9.1 71 71 A F E -BC 23 66A 0 -48,-2.4 -48,-2.7 -2,-0.5 2,-0.4 -0.952 13.7-164.7-140.4 147.5 -27.4 11.8 -8.6 72 72 A T E -BC 22 65A 33 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.5 -0.996 10.7-157.2-139.8 129.2 -26.8 15.5 -8.8 73 73 A L E -BC 21 64A 0 -52,-2.6 -52,-3.0 -2,-0.4 2,-0.4 -0.928 22.7-163.5 -97.3 127.3 -28.6 18.6 -7.6 74 74 A S E -BC 20 63A 32 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.6 -0.923 13.6-161.9-113.0 136.7 -27.5 21.6 -9.7 75 75 A I E -BC 19 62A 2 -56,-2.5 -56,-1.8 -2,-0.4 2,-1.2 -0.971 12.7-151.8-115.0 112.6 -28.1 25.2 -8.7 76 76 A N S S- 0 0 98 -15,-3.1 -58,-0.2 -2,-0.6 -59,-0.1 -0.710 79.8 -12.0 -88.6 92.2 -27.7 27.4 -11.8 77 77 A S S S- 0 0 40 -2,-1.2 -1,-0.3 -16,-0.0 -59,-0.3 0.922 87.1-129.1 75.1 91.2 -26.5 30.7 -10.3 78 78 A V - 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