==== 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 SH3 DOMAIN 12-AUG-05 2BZ8 . COMPND 2 MOLECULE: SH3-DOMAIN KINASE BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.CARDENES,G.MONCALIAN,J.BRAVO . 124 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 14 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A V 0 0 89 0, 0.0 27,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.1 14.6 30.4 52.9 2 3 A E - 0 0 93 53,-0.3 53,-1.1 24,-0.2 2,-0.3 -0.790 360.0-180.0-125.9 170.8 10.9 30.0 52.1 3 4 A A E -AB 25 54A 0 22,-2.4 22,-4.1 51,-0.3 2,-0.4 -0.947 23.6-120.2-159.5 172.0 8.7 29.5 49.1 4 5 A I E -AB 24 53A 49 49,-2.6 49,-2.7 -2,-0.3 20,-0.2 -0.992 34.5-107.5-128.4 134.3 5.0 29.0 48.0 5 6 A V E + B 0 52A 4 18,-1.9 17,-2.7 -2,-0.4 47,-0.3 -0.342 32.3 176.2 -60.7 130.2 3.7 26.0 46.2 6 7 A E S S+ 0 0 66 45,-2.6 2,-0.3 1,-0.3 46,-0.2 0.715 71.4 26.6-103.2 -34.6 2.8 26.6 42.5 7 8 A F S S- 0 0 25 44,-2.1 -1,-0.3 13,-0.1 2,-0.2 -0.954 87.9-106.8-129.4 150.6 1.8 23.1 41.6 8 9 A D - 0 0 96 -2,-0.3 2,-0.4 -3,-0.1 12,-0.2 -0.496 32.1-170.8 -78.6 142.9 0.4 20.2 43.7 9 10 A Y B -C 19 0B 12 10,-2.2 10,-1.9 -2,-0.2 2,-0.8 -0.950 16.1-153.6-142.4 121.7 2.6 17.3 44.7 10 11 A Q - 0 0 133 -2,-0.4 2,-0.1 8,-0.2 8,-0.1 -0.818 33.0-121.3 -91.3 110.1 1.6 14.0 46.4 11 12 A A - 0 0 14 -2,-0.8 7,-0.1 1,-0.2 36,-0.1 -0.341 23.4-167.1 -54.9 118.7 4.7 12.7 48.2 12 13 A Q + 0 0 115 -2,-0.1 2,-0.3 5,-0.1 -1,-0.2 0.167 65.6 55.5 -95.2 16.6 5.3 9.2 46.7 13 14 A H S > S- 0 0 105 33,-0.1 3,-2.6 1,-0.1 33,-0.1 -0.999 84.2-115.9-151.8 150.2 7.8 8.3 49.5 14 15 A D T 3 S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.832 119.7 44.1 -48.3 -39.2 8.1 8.1 53.2 15 16 A D T 3 S+ 0 0 74 30,-0.1 31,-1.6 2,-0.1 2,-0.3 0.229 95.5 101.8 -95.3 13.9 10.8 10.9 53.1 16 17 A E B < -d 46 0C 4 -3,-2.6 2,-0.5 29,-0.3 31,-0.2 -0.740 67.2-130.6-100.6 149.1 8.9 13.1 50.7 17 18 A L - 0 0 2 29,-2.4 2,-0.5 -2,-0.3 28,-0.1 -0.848 15.7-139.6 -99.4 124.2 6.9 16.2 51.6 18 19 A T - 0 0 60 -2,-0.5 2,-0.3 -7,-0.1 -8,-0.2 -0.714 27.3-171.1 -84.4 127.6 3.4 16.5 50.2 19 20 A I B -C 9 0B 5 -10,-1.9 -10,-2.2 -2,-0.5 2,-0.4 -0.843 14.1-159.2-121.5 156.6 2.6 20.0 49.1 20 21 A S > - 0 0 49 -2,-0.3 3,-2.3 -12,-0.2 -15,-0.4 -0.997 39.3 -84.4-136.2 139.9 -0.4 22.0 47.9 21 22 A V T 3 S+ 0 0 75 -2,-0.4 -15,-0.2 1,-0.3 3,-0.1 0.022 112.8 19.9 -40.7 138.5 -0.7 25.2 45.9 22 23 A G T 3 S+ 0 0 49 -17,-2.7 -1,-0.3 1,-0.3 -16,-0.1 0.064 89.2 134.3 88.1 -26.6 -0.4 28.4 48.0 23 24 A E < - 0 0 59 -3,-2.3 -18,-1.9 -19,-0.1 2,-0.6 -0.204 57.2-123.2 -58.7 145.4 1.3 26.7 51.0 24 25 A I E -A 4 0A 94 -20,-0.2 2,-0.5 -3,-0.1 -20,-0.3 -0.828 22.7-159.4 -94.9 123.2 4.3 28.4 52.5 25 26 A I E +A 3 0A 0 -22,-4.1 -22,-2.4 -2,-0.6 2,-0.3 -0.892 18.7 176.5-102.5 128.8 7.3 26.2 52.5 26 27 A T E +E 39 0C 39 13,-2.5 13,-2.0 -2,-0.5 -24,-0.2 -0.822 51.1 35.2-131.2 170.4 10.0 27.2 55.0 27 28 A N E S+ 0 0 93 -2,-0.3 2,-0.2 1,-0.2 -25,-0.2 0.801 78.1 175.0 59.9 27.3 13.3 26.2 56.4 28 29 A I E - 0 0 10 -27,-2.3 2,-0.5 -3,-0.2 10,-0.3 -0.465 18.5-164.1 -68.7 130.6 14.0 25.0 52.9 29 30 A R E -E 37 0C 142 8,-3.0 8,-1.7 -2,-0.2 -1,-0.0 -0.983 16.3-138.0-119.7 121.0 17.5 23.7 52.3 30 31 A K + 0 0 94 -2,-0.5 2,-0.2 6,-0.2 6,-0.1 -0.224 25.6 169.6 -76.1 164.9 18.5 23.5 48.6 31 32 A E > - 0 0 130 4,-0.2 4,-0.7 -2,-0.0 3,-0.5 -0.730 38.4-101.2-175.9 122.7 20.4 20.7 46.8 32 33 A D T 4 S+ 0 0 130 -2,-0.2 3,-0.1 1,-0.2 85,-0.0 0.046 90.4 65.4 -47.1 155.0 20.9 20.2 43.0 33 34 A G T 4 S- 0 0 21 1,-0.1 -1,-0.2 74,-0.1 3,-0.1 0.240 115.4 -72.6 116.2 -17.0 18.9 17.6 41.2 34 35 A G T 4 S+ 0 0 11 -3,-0.5 15,-0.6 1,-0.3 2,-0.4 0.582 101.3 98.4 106.1 11.6 15.3 18.9 41.4 35 36 A W E < - F 0 48C 12 -4,-0.7 2,-0.3 13,-0.3 -1,-0.3 -0.996 43.6-174.3-136.7 136.0 14.4 18.3 45.0 36 37 A W E - F 0 47C 34 11,-3.2 11,-2.7 -2,-0.4 2,-0.5 -0.872 20.9-132.8-122.9 159.0 14.4 20.6 48.0 37 38 A E E +EF 29 46C 66 -8,-1.7 -8,-3.0 -2,-0.3 2,-0.2 -0.965 44.6 139.8-113.3 121.7 13.8 19.9 51.7 38 39 A G E - F 0 45C 0 7,-1.8 7,-1.6 -2,-0.5 2,-0.4 -0.817 39.9-106.8-146.8-172.3 11.4 22.2 53.4 39 40 A Q E +EF 26 44C 50 -13,-2.0 -13,-2.5 -2,-0.2 2,-0.4 -0.985 19.2 177.2-138.6 140.7 8.6 22.5 55.8 40 41 A I E > S- F 0 43C 13 3,-2.7 3,-2.2 -2,-0.4 -15,-0.1 -0.990 73.8 -31.6-131.1 135.5 4.8 23.1 55.9 41 42 A N T 3 S- 0 0 148 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.318 124.2 -34.9 54.8-125.8 2.9 22.9 59.2 42 43 A G T 3 S+ 0 0 72 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.330 120.5 101.2-105.9 3.4 4.8 20.4 61.4 43 44 A R E < + F 0 40C 152 -3,-2.2 -3,-2.7 -25,-0.1 2,-0.3 -0.737 46.7 179.6 -97.3 138.4 5.6 18.3 58.3 44 45 A R E + F 0 39C 78 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.925 18.9 117.7-130.6 155.4 8.9 18.2 56.6 45 46 A G E - F 0 38C 8 -7,-1.6 -7,-1.8 -2,-0.3 2,-0.4 -0.984 58.3 -57.8 171.0-173.9 10.2 16.3 53.6 46 47 A L E +dF 16 37C 39 -31,-1.6 -29,-2.4 -2,-0.3 -9,-0.2 -0.792 48.0 169.0 -98.2 137.5 11.6 16.4 50.0 47 48 A F E - F 0 36C 0 -11,-2.7 -11,-3.2 -2,-0.4 2,-0.4 -0.970 43.5 -90.5-142.9 154.1 9.6 18.0 47.2 48 49 A P E > - F 0 35C 0 0, 0.0 3,-1.6 0, 0.0 -13,-0.3 -0.536 30.8-148.4 -69.8 123.4 10.4 19.0 43.6 49 50 A D G > S+ 0 0 42 -15,-0.6 3,-1.5 -2,-0.4 -14,-0.1 0.747 94.0 64.2 -64.4 -26.8 11.7 22.6 43.6 50 51 A N G 3 S+ 0 0 14 -16,-0.3 -1,-0.3 1,-0.3 -15,-0.1 0.459 93.7 68.0 -76.3 0.4 10.3 23.4 40.1 51 52 A F G < S+ 0 0 9 -3,-1.6 -45,-2.6 72,-0.1 -44,-2.1 0.392 103.0 43.4 -97.8 -0.3 6.9 22.9 41.8 52 53 A V E < S-B 5 0A 8 -3,-1.5 2,-0.5 -47,-0.3 -47,-0.2 -0.944 76.0-124.4-141.4 163.1 7.2 26.0 44.0 53 54 A R E -B 4 0A 121 -49,-2.7 -49,-2.6 -2,-0.3 2,-0.5 -0.937 25.7-126.2-112.3 131.1 8.3 29.6 43.7 54 55 A E E -B 3 0A 92 -2,-0.5 -51,-0.3 -51,-0.2 2,-0.1 -0.667 30.8-122.8 -78.3 119.8 11.0 30.9 46.1 55 56 A I 0 0 84 -53,-1.1 -53,-0.3 -2,-0.5 -1,-0.1 -0.386 360.0 360.0 -68.1 137.1 9.8 34.0 47.8 56 57 A K 0 0 247 -2,-0.1 -1,-0.1 0, 0.0 -53,-0.0 0.877 360.0 360.0 -96.0 360.0 11.7 37.3 47.5 57 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 2 B V 0 0 67 0, 0.0 27,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.2 19.7 28.7 22.0 59 3 B E - 0 0 80 53,-0.2 53,-2.0 24,-0.1 2,-0.3 -0.833 360.0-179.1-123.1 162.4 21.2 25.3 22.5 60 4 B A E -GH 82 111D 0 22,-2.0 22,-4.0 -2,-0.3 2,-0.4 -0.977 21.3-127.6-156.0 163.8 21.3 22.9 25.5 61 5 B I E -GH 81 110D 64 49,-2.5 49,-2.6 -2,-0.3 2,-0.3 -0.965 31.7-110.0-122.7 137.8 22.6 19.6 26.6 62 6 B V E + H 0 109D 4 18,-2.7 17,-2.7 -2,-0.4 47,-0.3 -0.495 34.0 171.7 -69.9 121.2 20.6 16.8 28.1 63 7 B E S S+ 0 0 66 45,-2.6 2,-0.4 -2,-0.3 46,-0.2 0.797 70.2 26.9 -96.2 -38.3 21.3 16.1 31.8 64 8 B F S S- 0 0 56 44,-2.2 -1,-0.3 13,-0.1 12,-0.1 -0.972 84.1-112.0-129.0 143.4 18.4 13.7 32.6 65 9 B D - 0 0 101 -2,-0.4 2,-0.3 -3,-0.1 12,-0.2 -0.347 34.4-176.1 -68.3 150.9 16.5 11.3 30.3 66 10 B Y B -I 76 0E 18 10,-2.2 10,-1.1 -2,-0.0 2,-0.5 -0.953 16.7-146.5-152.6 131.7 12.9 12.0 29.6 67 11 B Q - 0 0 126 -2,-0.3 8,-0.1 8,-0.2 7,-0.1 -0.872 29.1-114.1-102.4 127.4 10.2 10.1 27.7 68 12 B A - 0 0 21 -2,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.095 25.3-173.5 -51.0 154.9 7.6 12.0 25.8 69 13 B Q S S+ 0 0 133 1,-0.3 2,-0.3 5,-0.0 -1,-0.1 0.356 71.2 44.0-130.7 -7.1 4.1 11.6 27.1 70 14 B H S > S- 0 0 99 1,-0.0 3,-2.4 0, 0.0 -1,-0.3 -0.970 88.4-112.7-138.8 150.3 2.3 13.5 24.3 71 15 B D T 3 S+ 0 0 161 -2,-0.3 -3,-0.0 1,-0.3 -1,-0.0 0.600 116.8 58.2 -59.4 -10.8 2.8 13.5 20.5 72 16 B D T 3 S+ 0 0 62 30,-0.1 31,-2.5 2,-0.1 -1,-0.3 0.274 89.4 96.3-103.2 11.3 4.1 17.0 20.8 73 17 B E B < -j 103 0F 6 -3,-2.4 2,-0.5 29,-0.3 31,-0.2 -0.723 69.1-129.3-103.9 153.9 6.9 16.2 23.2 74 18 B L - 0 0 5 29,-2.2 2,-0.8 -2,-0.3 28,-0.1 -0.869 14.1-139.0-103.8 123.4 10.6 15.5 22.5 75 19 B T - 0 0 59 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.2 -0.731 30.0-174.6 -82.3 112.1 12.2 12.4 23.9 76 20 B I B -I 66 0E 1 -10,-1.1 -10,-2.2 -2,-0.8 2,-0.3 -0.768 11.1-157.5-109.4 154.9 15.7 13.4 25.0 77 21 B S > - 0 0 47 -2,-0.3 3,-1.7 -12,-0.2 -15,-0.3 -0.957 39.3 -76.8-131.0 148.7 18.6 11.3 26.4 78 22 B V T 3 S+ 0 0 92 -2,-0.3 -15,-0.2 1,-0.2 -13,-0.1 -0.139 113.8 15.8 -46.7 121.1 21.6 12.2 28.6 79 23 B G T 3 S+ 0 0 37 -17,-2.7 -1,-0.2 1,-0.3 -16,-0.1 -0.100 86.9 126.8 109.1 -36.3 24.3 13.9 26.6 80 24 B E < - 0 0 73 -3,-1.7 -18,-2.7 -19,-0.1 2,-0.4 -0.163 57.1-125.4 -59.1 149.5 22.4 15.0 23.4 81 25 B I E -G 61 0D 76 -20,-0.2 2,-0.5 -22,-0.0 -20,-0.3 -0.827 18.6-149.3 -98.3 135.0 22.6 18.6 22.3 82 26 B I E -G 60 0D 0 -22,-4.0 -22,-2.0 -2,-0.4 15,-0.2 -0.921 20.5-179.0-108.3 130.0 19.3 20.3 21.8 83 27 B T E +K 96 0F 46 13,-3.1 13,-3.5 -2,-0.5 3,-0.2 -0.670 54.7 41.6-121.6 175.2 19.1 23.1 19.2 84 28 B N E S- 0 0 92 11,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.865 79.8-178.2 54.7 37.2 16.6 25.6 17.7 85 29 B I E - 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0 0 13 3,-2.1 2,-2.7 -2,-0.4 3,-0.3 -0.866 64.3 -78.4-126.3 95.3 17.7 16.9 18.7 98 42 B N S S+ 0 0 153 -2,-0.5 -16,-0.0 1,-0.2 3,-0.0 -0.175 126.4 34.2 48.1 -72.5 19.0 15.7 15.3 99 43 B G S S+ 0 0 55 -2,-2.7 -1,-0.2 1,-0.0 2,-0.0 0.909 118.6 11.3 -71.1 -99.5 15.8 13.7 14.7 100 44 B R - 0 0 130 -3,-0.3 -3,-2.1 -25,-0.1 2,-0.3 -0.186 59.2-139.3 -81.4 170.4 12.5 15.2 16.0 101 45 B R E + L 0 96F 73 -5,-0.2 2,-0.3 -28,-0.1 -5,-0.2 -0.778 42.2 117.7-117.8 165.6 11.6 18.6 17.4 102 46 B G E - L 0 95F 4 -7,-1.8 -7,-1.9 -2,-0.3 2,-0.5 -0.953 60.7 -50.6 160.1 179.7 9.3 19.0 20.3 103 47 B L E +jL 73 94F 23 -31,-2.5 -29,-2.2 -2,-0.3 -9,-0.3 -0.755 50.6 174.2 -88.4 124.6 8.5 20.1 23.8 104 48 B F E - L 0 93F 0 -11,-3.0 -11,-3.1 -2,-0.5 2,-0.5 -0.908 39.6 -95.7-127.5 155.7 10.9 18.9 26.5 105 49 B P E > - L 0 92F 0 0, 0.0 3,-1.7 0, 0.0 -13,-0.2 -0.626 27.6-147.0 -73.7 119.1 11.2 19.7 30.2 106 50 B D G > S+ 0 0 41 -15,-1.8 3,-1.8 -2,-0.5 -14,-0.1 0.818 92.5 63.9 -57.5 -36.8 13.7 22.5 30.9 107 51 B N G 3 S+ 0 0 37 -16,-0.4 -1,-0.3 1,-0.3 -74,-0.1 0.562 95.7 62.9 -67.2 -5.9 14.9 21.3 34.3 108 52 B F G < S+ 0 0 8 -3,-1.7 -45,-2.6 -45,-0.1 -44,-2.2 0.442 104.5 48.5 -96.9 -2.4 16.3 18.2 32.5 109 53 B V E < S-H 62 0D 9 -3,-1.8 2,-0.4 -47,-0.3 -47,-0.2 -0.910 72.4-131.9-135.2 161.6 18.8 20.1 30.4 110 54 B R E -H 61 0D 128 -49,-2.6 -49,-2.5 -2,-0.3 2,-0.3 -0.938 25.9-121.2-116.0 138.2 21.4 22.7 30.8 111 55 B E E -H 60 0D 102 -2,-0.4 -51,-0.3 -51,-0.2 2,-0.1 -0.613 29.0-126.9 -79.6 134.7 21.7 25.8 28.6 112 56 B I - 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