==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CATALYTIC ANTIBODY 11-SEP-95 1KNO . COMPND 2 MOLECULE: IGG2A FAB FRAGMENT CNJ206; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.-B.CHARBONNIER,B.GIGANT,M.KNOSSOW . 1302 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 849 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 499 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 152 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 7 0 3 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 2 2 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 0 PARALLEL BRIDGES PER LADDER . 17 10 12 10 13 24 2 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 14 4 3 3 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 1 A Q 0 0 116 0, 0.0 2,-0.7 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 149.1 -13.8 -6.1 -6.1 2 2 A I - 0 0 3 93,-0.6 2,-0.2 91,-0.2 88,-0.1 -0.942 360.0-138.1-105.2 104.0 -14.8 -3.0 -4.1 3 3 A Q - 0 0 113 -2,-0.7 23,-1.7 23,-0.1 2,-0.7 -0.476 11.4-158.1 -69.7 134.3 -13.8 -0.1 -6.4 4 4 A M E -A 25 0A 13 94,-0.4 2,-1.0 21,-0.2 96,-0.3 -0.910 7.8-160.3-113.6 97.7 -12.1 2.9 -4.8 5 5 A T E -A 24 0A 95 19,-2.5 19,-2.4 -2,-0.7 2,-0.3 -0.736 15.5-170.6 -84.5 106.5 -12.6 5.9 -7.1 6 6 A Q E -A 23 0A 15 -2,-1.0 17,-0.2 17,-0.2 -2,-0.0 -0.806 10.0-123.8-101.6 143.8 -10.0 8.4 -6.1 7 7 A S E +A 22 0A 55 15,-2.4 15,-3.1 -2,-0.3 2,-0.2 -0.995 67.0 21.9-161.9 155.8 -9.6 12.0 -7.3 8 8 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 93,-0.1 0.565 61.0-149.1 -75.1 171.1 -8.3 14.2 -8.5 9 9 A S S S- 0 0 88 1,-0.3 2,-0.2 -2,-0.2 -2,-0.1 0.462 79.3 -11.8 -83.3 -8.4 -5.7 12.2 -10.4 10 10 A S + 0 0 74 92,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.805 68.1 179.9 177.5 152.3 -3.1 15.0 -10.1 11 11 A L E -d 104 0B 42 92,-2.6 94,-2.9 -2,-0.2 2,-0.4 -0.966 18.0-143.2-163.8 150.7 -3.2 18.6 -9.0 12 12 A S E +d 105 0B 51 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.947 26.1 167.3-116.7 143.6 -0.8 21.5 -8.5 13 13 A A E -d 106 0B 3 92,-1.3 94,-2.0 -2,-0.4 2,-0.1 -0.973 34.3-110.5-154.8 153.7 -1.2 24.0 -5.7 14 14 A S > - 0 0 45 -2,-0.3 3,-1.4 92,-0.2 64,-0.3 -0.475 50.0 -83.7 -83.0 160.1 1.0 26.7 -4.2 15 15 A L T 3 S+ 0 0 67 92,-0.3 64,-0.2 1,-0.2 -1,-0.2 -0.170 115.9 25.9 -61.3 157.3 2.5 26.2 -0.8 16 16 A G T 3 S+ 0 0 32 62,-2.5 61,-0.5 1,-0.2 -1,-0.2 0.255 95.0 121.2 74.3 -15.3 0.3 27.1 2.2 17 17 A E < - 0 0 88 -3,-1.4 61,-2.1 61,-0.3 2,-0.3 -0.410 63.4-121.8 -77.1 152.8 -2.7 26.3 0.1 18 18 A R - 0 0 166 58,-0.2 2,-0.3 59,-0.2 58,-0.3 -0.691 26.0-166.9 -96.0 156.9 -5.1 23.6 1.3 19 19 A V E - B 0 75A 10 56,-3.0 56,-2.5 -2,-0.3 2,-0.3 -0.983 12.5-158.7-143.2 150.1 -6.0 20.5 -0.7 20 20 A S E - B 0 74A 57 -2,-0.3 54,-0.2 54,-0.2 2,-0.2 -0.778 7.8-169.8-134.5 89.3 -8.7 17.7 -0.4 21 21 A L E - B 0 73A 0 52,-1.3 52,-2.1 -2,-0.3 2,-0.4 -0.528 18.5-153.8 -73.9 148.1 -8.1 14.4 -2.1 22 22 A T E -AB 7 72A 33 -15,-3.1 -15,-2.4 50,-0.2 2,-0.5 -0.980 17.7-167.3-132.6 139.5 -11.2 12.2 -2.2 23 23 A a E -AB 6 71A 0 48,-3.4 48,-3.6 -2,-0.4 2,-0.5 -0.984 4.3-165.2-124.5 125.8 -12.0 8.5 -2.3 24 24 A R E -AB 5 70A 99 -19,-2.4 -19,-2.5 -2,-0.5 2,-0.3 -0.964 12.3-153.7-107.3 120.9 -15.4 7.1 -3.0 25 25 A A E -A 4 0A 1 44,-1.8 -21,-0.2 -2,-0.5 4,-0.1 -0.725 12.5-140.5 -92.0 146.3 -15.8 3.4 -2.1 26 26 A S S S+ 0 0 57 -23,-1.7 2,-0.3 -2,-0.3 -22,-0.1 0.247 82.5 27.0 -88.6 12.1 -18.4 1.4 -4.0 27 27 A Q S S- 0 0 105 -24,-0.2 2,-0.2 42,-0.1 -2,-0.1 -0.971 101.4 -69.9-162.8 163.9 -19.4 -0.6 -0.9 28 28 A E + 0 0 125 -2,-0.3 -2,-0.1 1,-0.2 41,-0.1 -0.472 45.0 163.2 -66.6 129.4 -19.5 -0.3 2.9 29 29 A I > - 0 0 0 -2,-0.2 3,-0.8 63,-0.1 -1,-0.2 0.343 44.5-133.1-123.0 -2.7 -16.1 -0.4 4.3 30 30 A S T 3 S- 0 0 80 1,-0.3 -2,-0.1 2,-0.1 39,-0.1 0.959 70.4 -54.0 47.9 50.0 -17.2 1.0 7.6 31 31 A G T 3 S+ 0 0 10 1,-0.2 -1,-0.3 20,-0.1 2,-0.1 0.730 91.9 143.2 61.1 27.7 -14.4 3.5 7.6 32 32 A Y < + 0 0 76 -3,-0.8 59,-2.7 18,-0.2 2,-0.2 -0.076 35.1 136.3 -87.4 39.0 -11.6 0.9 7.1 33 33 A L E -E 90 0C 0 57,-0.2 18,-2.7 -2,-0.1 2,-0.3 -0.513 31.9-177.2 -84.7 151.4 -10.0 3.6 4.9 34 34 A S E -E 89 0C 0 55,-1.9 55,-3.0 15,-0.2 2,-0.5 -0.958 17.0-141.4-144.6 152.0 -6.4 4.3 5.1 35 35 A W E -EF 88 48C 2 13,-3.3 12,-2.6 -2,-0.3 13,-1.3 -0.995 16.3-167.9-124.3 126.0 -4.3 6.8 3.3 36 36 A L E -EF 87 46C 0 51,-3.5 51,-2.1 -2,-0.5 2,-0.4 -0.726 8.3-150.2-103.6 159.7 -0.8 6.0 2.1 37 37 A Q E -EF 86 45C 15 8,-2.1 8,-1.2 -2,-0.3 2,-0.6 -0.943 4.4-160.6-134.7 113.7 1.8 8.5 0.8 38 38 A Q E -EF 85 44C 12 47,-4.2 47,-2.8 -2,-0.4 6,-0.2 -0.867 10.7-153.3-100.5 123.6 4.4 7.5 -1.7 39 39 A K > - 0 0 50 4,-2.7 3,-1.8 -2,-0.6 45,-0.1 -0.516 31.2-104.1 -83.7 159.3 7.5 9.7 -1.9 40 40 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.810 116.5 66.9 -58.3 -32.2 9.5 10.0 -5.1 41 41 A D T 3 S- 0 0 118 1,-0.1 2,-0.2 2,-0.1 -3,-0.0 0.406 122.2-103.5 -70.8 3.1 12.3 7.8 -3.8 42 42 A G S < S+ 0 0 19 -3,-1.8 -1,-0.1 1,-0.3 285,-0.0 -0.284 76.4 140.4 107.0 -46.0 9.8 5.0 -3.9 43 43 A T - 0 0 67 -2,-0.2 -4,-2.7 -5,-0.1 2,-0.4 0.078 37.2-154.0 -34.7 131.1 9.3 5.0 -0.1 44 44 A I E +F 38 0C 14 281,-0.5 280,-0.4 -6,-0.2 2,-0.4 -0.878 15.8 174.2-114.6 139.3 5.7 4.4 1.2 45 45 A K E -F 37 0C 94 -8,-1.2 -8,-2.1 -2,-0.4 2,-0.4 -0.996 28.4-124.0-144.8 137.4 4.4 5.6 4.6 46 46 A R E +F 36 0C 6 -2,-0.4 -10,-0.2 276,-0.3 12,-0.1 -0.707 28.0 171.8 -87.1 141.3 1.0 5.5 6.1 47 47 A L E + 0 0 6 -12,-2.6 8,-2.5 1,-0.4 2,-0.3 0.799 65.0 17.9-109.8 -55.2 -0.5 8.8 7.2 48 48 A I E +FG 35 54C 0 -13,-1.3 -13,-3.3 6,-0.2 -1,-0.4 -0.918 62.2 165.6-124.3 147.0 -4.1 8.1 8.1 49 49 A Y E >> + G 0 53C 47 4,-1.8 4,-2.2 -2,-0.3 3,-1.7 -0.922 61.6 45.8-148.0 168.3 -5.9 4.8 8.9 50 50 A A T 34 S- 0 0 41 -17,-0.3 -16,-0.2 1,-0.3 -18,-0.2 0.847 127.3 -77.1 60.4 25.9 -9.2 3.9 10.5 51 51 A A T 34 S+ 0 0 6 -18,-2.7 -1,-0.3 1,-0.2 21,-0.2 0.282 124.0 17.0 63.3 6.2 -10.5 6.6 8.2 52 52 A S T <4 S+ 0 0 63 -3,-1.7 2,-0.6 -19,-0.2 12,-0.3 0.360 85.2 115.5-178.5 -4.4 -9.3 9.5 10.3 53 53 A T E < -G 49 0C 61 -4,-2.2 -4,-1.8 10,-0.1 2,-0.2 -0.701 58.2-137.7 -86.6 120.0 -6.7 8.5 12.9 54 54 A L E -G 48 0C 48 -2,-0.6 -6,-0.2 -6,-0.2 -7,-0.1 -0.521 21.4-119.0 -73.2 143.2 -3.4 10.2 12.2 55 55 A D > - 0 0 21 -8,-2.5 3,-0.8 -2,-0.2 2,-0.4 -0.303 41.1 -78.0 -77.8 168.9 -0.4 8.0 12.6 56 56 A S T 3 S+ 0 0 98 1,-0.2 -1,-0.1 264,-0.1 0, 0.0 -0.547 121.6 16.6 -67.7 116.6 2.4 8.7 15.0 57 57 A G T 3 S+ 0 0 34 -2,-0.4 -1,-0.2 1,-0.4 831,-0.1 -0.093 86.7 126.1 112.4 -37.3 4.5 11.4 13.4 58 58 A V S < S- 0 0 3 -3,-0.8 -1,-0.4 -11,-0.2 2,-0.1 -0.447 70.6-108.9 -60.4 124.2 2.1 12.6 10.8 59 59 A P > - 0 0 32 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.372 22.1-116.7 -53.8 137.7 1.7 16.4 11.3 60 60 A K T 3 S+ 0 0 149 1,-0.3 -2,-0.1 -2,-0.1 -6,-0.0 0.364 106.1 79.6 -63.6 8.1 -1.5 17.6 12.7 61 61 A R T 3 S+ 0 0 25 16,-0.0 15,-1.9 14,-0.0 2,-0.3 0.476 78.2 80.7 -95.2 0.1 -2.2 19.4 9.5 62 62 A F E < +C 75 0A 8 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.806 61.1 177.0 -99.0 142.8 -3.3 16.2 7.8 63 63 A S E -C 74 0A 51 11,-1.2 11,-1.5 -2,-0.3 2,-0.1 -0.811 18.4-156.8-158.0 116.1 -6.9 15.1 8.5 64 64 A G E +C 73 0A 12 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.486 21.5 167.7 -85.0 156.5 -9.1 12.2 7.3 65 65 A S E -C 72 0A 58 7,-1.4 7,-3.0 -2,-0.1 2,-0.3 -0.956 18.4-148.4-161.7 159.4 -12.8 12.4 7.4 66 66 A R E +C 71 0A 99 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.985 14.6 174.5-139.7 142.8 -15.8 10.5 6.0 67 67 A S E > S-C 70 0A 92 3,-2.4 3,-1.5 -2,-0.3 2,-0.3 -0.866 72.8 -39.0-147.6 109.2 -19.3 11.4 4.9 68 68 A G T 3 S- 0 0 49 -2,-0.3 -44,-0.0 1,-0.3 0, 0.0 -0.520 122.4 -29.9 74.1-129.1 -21.3 8.6 3.3 69 69 A S T 3 S+ 0 0 23 -2,-0.3 -44,-1.8 -3,-0.1 2,-0.6 -0.026 117.9 101.8-111.0 28.8 -19.1 6.6 1.1 70 70 A D E < -BC 24 67A 60 -3,-1.5 -3,-2.4 -46,-0.2 2,-0.4 -0.969 52.1-172.0-114.8 113.3 -16.9 9.6 0.4 71 71 A Y E -BC 23 66A 2 -48,-3.6 -48,-3.4 -2,-0.6 2,-0.4 -0.882 6.1-165.4-105.8 138.3 -13.7 9.7 2.3 72 72 A S E -BC 22 65A 25 -7,-3.0 -7,-1.4 -2,-0.4 2,-0.5 -0.977 18.8-159.8-133.4 142.5 -11.4 12.8 2.2 73 73 A L E -BC 21 64A 0 -52,-2.1 -52,-1.3 -2,-0.4 2,-0.5 -0.963 19.2-165.8-110.7 123.9 -7.9 13.6 3.2 74 74 A T E -BC 20 63A 19 -11,-1.5 -11,-1.2 -2,-0.5 2,-0.6 -0.984 10.3-166.9-118.3 125.3 -7.4 17.4 3.6 75 75 A I E -BC 19 62A 1 -56,-2.5 -56,-3.0 -2,-0.5 2,-0.5 -0.972 12.6-163.1-107.8 113.7 -4.0 18.9 3.8 76 76 A S S S+ 0 0 44 -15,-1.9 -58,-0.2 -2,-0.6 -59,-0.1 -0.910 71.1 11.5 -97.6 133.6 -4.4 22.4 5.1 77 77 A S S S- 0 0 44 -2,-0.5 2,-0.5 -61,-0.5 -1,-0.3 0.971 87.0-135.8 62.2 85.5 -1.4 24.6 4.4 78 78 A L - 0 0 11 -61,-2.1 -62,-2.5 -64,-0.3 -61,-0.3 -0.612 23.3-170.7 -76.8 118.6 0.8 22.5 2.1 79 79 A E > - 0 0 11 -2,-0.5 3,-1.4 -64,-0.2 4,-0.2 -0.612 38.9 -92.8-101.1 172.2 4.5 22.5 2.9 80 80 A S G > S+ 0 0 85 1,-0.3 3,-2.6 -2,-0.2 -1,-0.1 0.866 119.0 61.6 -51.3 -48.7 7.3 21.1 0.8 81 81 A E G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -42,-0.0 -3,-0.0 0.823 91.4 73.1 -52.6 -26.6 7.5 17.6 2.3 82 82 A D G < + 0 0 6 -3,-1.4 2,-1.0 2,-0.1 -1,-0.3 0.540 64.3 109.8 -64.8 -14.1 3.9 17.2 1.0 83 83 A F < + 0 0 45 -3,-2.6 2,-0.2 -4,-0.2 22,-0.1 -0.605 58.6 91.1 -67.2 103.9 5.1 17.0 -2.6 84 84 A A S S- 0 0 5 -2,-1.0 20,-2.0 20,-0.3 2,-0.4 -0.857 78.5 -76.0-167.3-160.4 4.3 13.3 -3.2 85 85 A D E -EH 38 103C 42 -47,-2.8 -47,-4.2 -2,-0.2 2,-0.3 -0.996 39.2-157.7-125.4 125.6 1.8 10.7 -4.4 86 86 A Y E -EH 37 102C 0 16,-1.2 16,-0.5 -2,-0.4 2,-0.4 -0.755 8.2-173.2-107.6 148.3 -1.1 9.7 -2.2 87 87 A Y E -E 36 0C 2 -51,-2.1 -51,-3.5 -2,-0.3 2,-0.3 -1.000 17.7-139.5-139.0 135.5 -3.2 6.5 -2.3 88 88 A a E -E 35 0C 0 -2,-0.4 11,-3.2 -53,-0.2 2,-0.4 -0.755 19.7-161.8 -92.9 143.3 -6.3 5.6 -0.4 89 89 A L E -EI 34 98C 15 -55,-3.0 -55,-1.9 -2,-0.3 2,-0.6 -0.999 6.6-158.9-126.2 128.5 -6.5 2.0 0.9 90 90 A Q E +EI 33 97C 0 7,-2.1 7,-0.7 -2,-0.4 -57,-0.2 -0.962 13.0 175.0-111.0 117.3 -9.7 0.2 1.9 91 91 A Y + 0 0 23 -59,-2.7 -58,-0.1 -2,-0.6 3,-0.1 -0.122 51.4 98.4-113.5 37.3 -9.0 -2.8 4.2 92 92 A A S S+ 0 0 29 1,-0.2 2,-0.4 -60,-0.1 -1,-0.1 0.909 84.1 34.4 -87.2 -45.8 -12.6 -3.8 5.0 93 93 A S S S- 0 0 51 2,-0.2 4,-0.2 -3,-0.1 -1,-0.2 -0.925 88.2-101.7-122.8 146.0 -13.1 -6.6 2.5 94 94 A S S S+ 0 0 47 -2,-0.4 2,-1.4 2,-0.1 -1,-0.1 0.583 102.9 64.1 -26.7 -73.7 -10.8 -9.3 1.1 95 95 A P S S- 0 0 29 0, 0.0 -93,-0.6 0, 0.0 2,-0.5 -0.508 90.8-141.4 -64.3 97.1 -9.7 -8.3 -2.4 96 96 A Y - 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