==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 14-MAR-05 2BMK . COMPND 2 MOLECULE: FAB FRAGMENT OF CATALYTIC ANTIBODY 15A9, LIGHT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.GOLINELLI-PIMPANEAU,P.CHRISTEN . 872 8 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 343 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 90 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 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 RESIDUES PER ALPHA HELIX . 2 1 1 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 . 6 7 13 4 12 13 3 0 3 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 8 4 1 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 D 0 0 138 0, 0.0 2,-0.3 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 38.7 64.7 30.2 53.3 2 2 A I - 0 0 6 92,-0.3 2,-0.4 90,-0.1 87,-0.1 -0.519 360.0-153.1 -72.2 123.6 65.1 27.7 56.1 3 3 A E - 0 0 131 -2,-0.3 23,-1.0 93,-0.1 2,-0.6 -0.820 3.8-152.9 -99.8 137.6 61.9 27.0 58.1 4 4 A L E -A 25 0A 6 93,-0.5 95,-1.0 -2,-0.4 2,-0.5 -0.936 6.1-165.2-115.0 120.3 62.1 25.9 61.7 5 5 A T E -A 24 0A 84 19,-2.6 19,-2.8 -2,-0.6 2,-0.3 -0.881 6.5-161.2-104.9 128.4 59.4 23.7 63.2 6 6 A Q E -A 23 0A 13 -2,-0.5 17,-0.2 17,-0.2 15,-0.0 -0.824 14.4-126.2-107.4 148.5 59.3 23.4 67.0 7 7 A S E S+A 22 0A 61 15,-1.8 15,-2.3 -2,-0.3 2,-0.2 -0.989 81.2 30.5-148.2 139.1 57.5 20.7 68.9 8 8 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.638 64.5-162.4 -77.5 172.5 55.5 20.6 71.0 9 9 A A S S+ 0 0 65 1,-0.3 93,-2.3 -2,-0.2 2,-0.3 0.739 80.4 17.6 -87.3 -27.0 53.7 23.8 70.3 10 10 A I E S+d 102 0B 129 91,-0.2 2,-0.3 74,-0.0 -1,-0.3 -0.997 74.0 162.3-144.9 141.0 52.1 23.9 73.7 11 11 A M E -d 103 0B 36 91,-2.3 93,-2.9 -2,-0.3 2,-0.4 -0.995 27.2-145.7-161.1 155.3 53.0 22.1 77.0 12 12 A A E -d 104 0B 35 -2,-0.3 2,-0.4 91,-0.2 93,-0.2 -0.985 19.7-162.1-122.6 131.8 52.6 22.0 80.7 13 13 A A E -d 105 0B 0 91,-1.9 93,-2.7 -2,-0.4 3,-0.1 -0.948 14.4-132.0-119.7 137.8 55.4 20.9 83.0 14 14 A S > - 0 0 42 -2,-0.4 3,-1.5 91,-0.2 63,-0.3 -0.488 47.3 -81.8 -79.2 154.2 55.2 19.7 86.6 15 15 A P T 3 S+ 0 0 94 0, 0.0 63,-0.2 0, 0.0 -1,-0.1 -0.379 118.4 10.6 -59.4 127.0 57.7 21.2 89.0 16 16 A G T 3 S+ 0 0 40 61,-2.2 62,-0.1 1,-0.3 -2,-0.0 0.080 95.4 135.8 93.0 -24.8 61.0 19.4 88.7 17 17 A E < - 0 0 74 -3,-1.5 60,-2.2 59,-0.2 2,-0.3 -0.135 60.6-111.8 -54.6 149.6 59.9 17.5 85.6 18 18 A K - 0 0 121 58,-0.2 2,-0.4 -3,-0.1 57,-0.2 -0.699 34.2-159.2 -86.0 141.6 62.5 17.3 82.8 19 19 A V E - B 0 74A 1 55,-2.9 55,-2.5 -2,-0.3 2,-0.4 -0.974 11.5-173.3-127.1 137.6 61.6 19.3 79.6 20 20 A T E - B 0 73A 62 -2,-0.4 2,-0.5 53,-0.2 53,-0.2 -0.992 2.8-169.8-132.2 127.7 62.8 19.0 76.1 21 21 A I E - B 0 72A 0 51,-3.3 51,-2.7 -2,-0.4 2,-0.3 -0.968 12.1-156.8-116.1 126.5 62.0 21.3 73.2 22 22 A T E -AB 7 71A 44 -15,-2.3 -15,-1.8 -2,-0.5 2,-0.4 -0.817 8.6-168.7-107.5 147.3 62.9 20.2 69.7 23 23 A a E -AB 6 70A 0 47,-2.9 47,-2.9 -2,-0.3 2,-0.4 -0.997 8.6-167.7-132.4 122.1 63.5 22.5 66.7 24 24 A S E -AB 5 69A 53 -19,-2.8 -19,-2.6 -2,-0.4 2,-0.2 -0.949 6.5-149.1-119.3 136.6 63.8 20.9 63.2 25 25 A A E -A 4 0A 17 43,-2.5 -21,-0.2 -2,-0.4 3,-0.1 -0.654 22.5-136.8-104.3 157.1 65.1 22.6 60.0 26 26 A T S S+ 0 0 90 -23,-1.0 2,-0.3 -2,-0.2 -22,-0.1 0.452 98.1 18.0 -84.5 -2.3 64.3 22.3 56.3 27 27 A S S S- 0 0 63 -24,-0.2 -1,-0.1 40,-0.1 2,-0.1 -0.976 99.4 -76.9-161.8 158.1 68.1 22.5 55.8 28 29 A G - 0 0 38 -2,-0.3 2,-0.4 -3,-0.1 40,-0.2 -0.300 40.0-167.1 -66.0 140.2 71.3 22.1 57.8 29 30 A V - 0 0 3 38,-2.7 38,-0.5 1,-0.1 40,-0.1 -0.962 23.7-140.4-126.9 146.5 72.4 24.9 60.1 30 31 A N S S+ 0 0 114 -2,-0.4 2,-0.3 847,-0.3 -1,-0.1 0.727 86.1 2.2 -75.2 -23.4 75.8 25.3 61.8 31 32 A Y - 0 0 105 846,-0.2 2,-0.4 36,-0.1 60,-0.3 -0.965 63.2-139.0-155.7 166.5 74.3 26.4 65.1 32 33 A M - 0 0 0 -2,-0.3 18,-2.6 57,-0.1 2,-0.3 -0.998 13.1-158.5-135.8 139.3 70.9 27.0 66.8 33 34 A H E -E 88 0B 0 55,-3.2 55,-2.5 -2,-0.4 2,-0.4 -0.871 6.7-152.3-117.5 151.2 69.9 29.9 69.0 34 35 A W E -EF 87 47B 0 13,-3.0 12,-2.7 -2,-0.3 13,-1.6 -0.968 5.8-165.7-128.8 142.3 67.1 30.0 71.6 35 36 A F E -EF 86 45B 0 51,-3.3 51,-2.6 -2,-0.4 2,-0.5 -0.968 9.1-151.2-127.3 140.3 65.0 32.8 73.0 36 37 A Q E -EF 85 44B 1 8,-2.3 8,-1.6 -2,-0.4 2,-0.5 -0.941 14.7-173.5-110.6 123.2 62.7 32.9 76.0 37 38 A Q E -E 84 0B 18 47,-3.2 47,-2.8 -2,-0.5 5,-0.1 -0.969 4.7-163.5-123.2 118.6 59.7 35.3 75.9 38 39 A K > - 0 0 57 -2,-0.5 3,-1.7 4,-0.4 45,-0.1 -0.697 43.1 -74.3 -95.4 151.0 57.5 35.9 78.9 39 40 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 -0.142 115.7 6.9 -47.2 128.8 54.0 37.6 78.6 40 41 A G T 3 S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.623 113.3 97.0 72.6 14.7 54.1 41.3 78.0 41 42 A T S < S- 0 0 55 -3,-1.7 -1,-0.2 3,-0.0 3,-0.1 -0.818 76.7 -99.9-129.7 169.8 57.9 41.4 77.6 42 43 A S - 0 0 28 -2,-0.3 -4,-0.4 1,-0.1 289,-0.1 -0.468 52.5 -88.9 -83.6 158.6 60.5 41.5 74.8 43 44 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.309 40.6-148.7 -65.6 156.2 62.3 38.2 73.9 44 45 A K E -F 36 0B 97 -8,-1.6 -8,-2.3 -3,-0.1 2,-0.2 -0.977 20.0-111.9-127.5 139.6 65.5 37.5 75.8 45 46 A L E +F 35 0B 11 -2,-0.4 -10,-0.2 282,-0.3 3,-0.1 -0.544 42.8 165.0 -68.4 133.5 68.5 35.6 74.5 46 47 A W E + 0 0 26 -12,-2.7 8,-3.0 1,-0.5 2,-0.4 0.729 61.7 12.7-118.0 -51.5 68.7 32.3 76.4 47 48 A I E -FG 34 53B 0 -13,-1.6 -13,-3.0 6,-0.2 -1,-0.5 -0.994 66.9-172.8-132.2 137.1 71.0 29.9 74.5 48 49 A Y E >> + G 0 52B 37 4,-2.7 4,-2.1 -2,-0.4 3,-0.5 -0.947 64.6 18.0-131.4 153.4 73.4 31.0 71.8 49 50 A S T 34 S- 0 0 33 -2,-0.3 2,-1.9 1,-0.3 -1,-0.2 0.919 124.6 -69.3 52.7 46.7 75.7 29.0 69.4 50 51 A T T 34 S+ 0 0 16 -18,-2.6 -1,-0.3 1,-0.2 21,-0.1 -0.208 127.4 17.9 74.2 -47.8 73.7 25.8 70.2 51 52 A S T <4 S+ 0 0 65 -2,-1.9 2,-0.6 -3,-0.5 12,-0.3 0.373 85.7 113.3-140.2 7.3 74.7 25.2 73.8 52 53 A N E < -G 48 0B 69 -4,-2.1 -4,-2.7 10,-0.1 2,-0.3 -0.749 61.1-132.8 -87.3 121.6 76.2 28.4 75.4 53 54 A L E -G 47 0B 56 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.564 21.3-133.9 -74.4 131.5 74.0 29.8 78.2 54 55 A A > - 0 0 9 -8,-3.0 3,-1.9 -2,-0.3 270,-0.1 -0.151 45.8 -52.4 -76.3 176.4 73.4 33.5 77.9 55 56 A S T 3 S+ 0 0 63 268,-0.3 -1,-0.2 1,-0.3 -10,-0.0 -0.173 123.9 4.7 -54.0 137.7 73.6 36.0 80.8 56 57 A A T 3 S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.497 91.8 141.4 65.1 8.1 71.5 35.2 83.9 57 58 A V < - 0 0 16 -3,-1.9 -1,-0.2 -11,-0.1 -4,-0.1 -0.727 51.7-120.9 -88.7 116.2 70.5 31.8 82.5 58 59 A P > - 0 0 29 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.039 14.8-119.6 -48.4 154.6 70.4 28.9 85.1 59 60 A A T 3 S+ 0 0 94 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.699 105.5 77.2 -75.0 -19.3 72.5 25.8 84.7 60 61 A R T 3 S+ 0 0 50 14,-0.1 15,-2.6 16,-0.1 -1,-0.3 0.686 86.1 84.2 -64.2 -10.4 69.4 23.5 84.6 61 62 A F E < +C 74 0A 4 -3,-1.2 2,-0.3 13,-0.2 13,-0.2 -0.648 55.4 157.0 -92.6 148.2 69.2 24.8 81.0 62 63 A S E -C 73 0A 59 11,-1.5 11,-3.1 -2,-0.3 2,-0.3 -0.973 22.7-150.1-164.6 155.8 71.2 23.3 78.1 63 64 A G E +C 72 0A 8 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.957 19.3 162.0-133.4 152.7 71.1 23.0 74.3 64 65 A S E +C 71 0A 60 7,-2.3 7,-2.9 -2,-0.3 2,-0.2 -0.958 17.7 82.1-157.9 175.8 72.2 20.4 71.8 65 66 A G E -C 70 0A 39 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.643 35.8-147.8 119.3-176.7 72.0 19.0 68.3 66 67 A S E > +C 69 0A 84 3,-1.9 3,-2.2 -2,-0.2 2,-0.5 -0.961 60.2 29.6-176.7 176.9 73.3 19.6 64.8 67 68 A G T 3 S- 0 0 38 -38,-0.5 -38,-2.7 -2,-0.3 -40,-0.1 -0.413 128.4 -24.0 61.5-110.1 72.5 19.4 61.2 68 69 A T T 3 S+ 0 0 66 -2,-0.5 -43,-2.5 -40,-0.2 2,-0.4 0.242 125.0 69.7-120.3 11.4 68.7 19.8 61.0 69 70 A S E < +BC 24 66A 66 -3,-2.2 -3,-1.9 -45,-0.2 2,-0.3 -0.970 53.6 162.5-136.9 120.3 67.6 18.8 64.5 70 71 A Y E -BC 23 65A 5 -47,-2.9 -47,-2.9 -2,-0.4 2,-0.3 -0.895 13.3-162.4-131.8 162.5 68.3 20.7 67.7 71 72 A S E -BC 22 64A 23 -7,-2.9 -7,-2.3 -2,-0.3 2,-0.4 -0.990 14.9-149.8-148.9 157.0 66.9 20.8 71.2 72 73 A L E -BC 21 63A 0 -51,-2.7 -51,-3.3 -2,-0.3 2,-0.4 -0.978 23.6-166.2-123.8 135.7 66.6 22.8 74.4 73 74 A T E -BC 20 62A 24 -11,-3.1 -11,-1.5 -2,-0.4 2,-0.5 -0.970 20.0-162.4-131.6 143.5 66.3 21.0 77.7 74 75 A I E -BC 19 61A 0 -55,-2.5 -55,-2.9 -2,-0.4 3,-0.2 -0.981 11.1-160.0-119.9 110.5 65.4 22.0 81.2 75 76 A S S S+ 0 0 57 -15,-2.6 2,-0.4 -2,-0.5 -1,-0.1 0.902 82.4 16.3 -57.6 -46.2 66.7 19.3 83.6 76 77 A R S S- 0 0 34 -16,-0.1 -1,-0.3 -58,-0.1 -59,-0.2 -0.959 87.1-124.1-135.9 115.3 64.3 20.3 86.4 77 78 A M - 0 0 0 -60,-2.2 -61,-2.2 -2,-0.4 2,-0.3 -0.300 29.1-174.2 -62.7 134.6 61.3 22.6 85.8 78 79 A E > - 0 0 81 -63,-0.2 3,-2.3 -62,-0.1 4,-0.4 -0.955 36.7-118.7-129.7 147.8 61.0 25.8 87.8 79 80 A A G > S+ 0 0 56 -2,-0.3 3,-1.5 1,-0.3 26,-0.1 0.845 114.1 62.4 -52.4 -37.0 58.2 28.3 87.9 80 81 A E G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.675 95.3 62.6 -64.1 -17.4 60.6 31.0 86.7 81 82 A D G < S+ 0 0 2 -3,-2.3 2,-0.3 2,-0.0 -1,-0.3 0.559 70.7 116.9 -87.3 -8.4 61.0 28.9 83.4 82 83 A A < + 0 0 18 -3,-1.5 2,-0.3 -4,-0.4 22,-0.2 -0.454 46.6 95.2 -64.0 124.8 57.4 29.3 82.3 83 84 A A E S- H 0 103B 7 20,-1.5 20,-2.8 -2,-0.3 2,-0.5 -0.969 77.6 -71.7 175.6-176.8 57.4 31.2 79.0 84 85 A T E -EH 37 102B 23 -47,-2.8 -47,-3.2 -2,-0.3 2,-0.4 -0.891 44.8-154.3-102.9 129.3 57.4 30.8 75.2 85 86 A Y E -EH 36 101B 1 16,-2.8 16,-2.1 -2,-0.5 2,-0.4 -0.821 9.7-171.1-107.2 146.1 60.6 29.6 73.7 86 87 A Y E -E 35 0B 11 -51,-2.6 -51,-3.3 -2,-0.4 2,-0.2 -0.997 11.0-147.5-134.0 135.4 61.8 30.3 70.1 87 88 A a E -E 34 0B 0 -2,-0.4 11,-2.3 -53,-0.2 2,-0.3 -0.644 17.4-167.3 -97.0 163.0 64.7 28.8 68.2 88 89 A Q E -EI 33 97B 0 -55,-2.5 -55,-3.2 9,-0.2 2,-0.4 -0.997 12.1-158.9-151.2 146.4 66.7 30.8 65.6 89 90 A Q E + I 0 96B 0 7,-1.8 7,-1.4 -2,-0.3 -57,-0.1 -0.990 15.4 171.2-128.6 134.4 69.2 30.1 62.9 90 91 A R + 0 0 10 -2,-0.4 5,-0.1 -59,-0.2 3,-0.1 -0.024 56.4 103.4-126.6 25.7 71.6 32.6 61.4 91 92 A S S S+ 0 0 28 -60,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.809 90.0 23.7 -77.2 -31.3 73.6 30.1 59.5 92 93 A T S S- 0 0 61 2,-0.1 -1,-0.2 4,-0.1 -90,-0.1 -0.994 98.8 -82.4-136.7 140.2 71.9 31.0 56.2 93 94 A Y S S+ 0 0 58 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.673 106.1 50.1 -83.6 140.7 70.2 34.3 55.1 94 95 A P S S- 0 0 19 0, 0.0 -92,-0.3 0, 0.0 -2,-0.1 0.464 88.4-137.7 -82.1 145.4 67.4 35.1 55.7 95 96 A F - 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