==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHOLINE-BINDING PROTEIN 28-JUL-08 2VYU . COMPND 2 MOLECULE: CHOLINE BINDING PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR I.PEREZ-DORADO,R.MOLINA,J.A.HERMOSO,S.MOBASHERY . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 54.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 3.3 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 . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 10 3 1 4 6 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 . 3 9 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 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 N 0 0 140 0, 0.0 2,-0.4 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 -67.3 -29.4 3.4 -11.5 2 2 A T + 0 0 8 26,-2.4 28,-0.4 2,-0.0 2,-0.3 -0.790 360.0 146.1 -95.2 132.1 -32.8 5.0 -11.1 3 3 A T + 0 0 104 -2,-0.4 3,-0.1 26,-0.1 26,-0.0 -0.902 36.6 61.1-150.7 178.0 -34.8 5.9 -14.2 4 4 A G S S+ 0 0 60 1,-0.3 15,-0.3 -2,-0.3 2,-0.2 0.476 88.4 94.5 78.0 1.8 -38.3 6.2 -15.6 5 5 A G - 0 0 23 13,-0.2 2,-0.3 14,-0.1 -1,-0.3 -0.465 61.7-139.9-113.0-172.7 -39.3 8.8 -13.0 6 6 A R E -A 17 0A 175 11,-2.3 11,-2.1 -2,-0.2 9,-0.1 -0.971 22.3-108.1-155.0 135.9 -39.4 12.5 -12.9 7 7 A F E -A 16 0A 57 -2,-0.3 2,-0.4 9,-0.2 9,-0.3 -0.324 40.7-162.0 -60.7 143.4 -38.6 15.2 -10.3 8 8 A V E -A 15 0A 34 7,-3.4 7,-2.9 2,-0.1 2,-0.5 -0.991 19.1-142.7-137.0 141.0 -41.7 16.9 -8.9 9 9 A D E +A 14 0A 102 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.865 41.7 142.4 -97.7 130.1 -42.5 20.1 -7.0 10 10 A K E > +A 13 0A 114 3,-2.4 3,-1.8 -2,-0.5 -2,-0.1 -0.914 58.3 5.0-170.7 139.0 -45.2 19.6 -4.4 11 11 A D T 3 S- 0 0 111 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.881 126.4 -59.6 48.6 45.7 -46.2 20.8 -0.9 12 12 A N T 3 S+ 0 0 140 1,-0.2 -1,-0.3 95,-0.0 2,-0.3 0.684 121.1 93.7 59.1 23.0 -43.2 23.2 -0.9 13 13 A R E < S-A 10 0A 53 -3,-1.8 -3,-2.4 93,-0.1 2,-0.5 -0.842 72.7-119.2-135.7 171.0 -40.8 20.2 -1.4 14 14 A K E +A 9 0A 33 91,-0.3 28,-2.5 -2,-0.3 2,-0.3 -0.968 33.5 173.0-117.4 128.5 -39.0 18.4 -4.2 15 15 A Y E -A 8 0A 10 -7,-2.9 -7,-3.4 -2,-0.5 2,-0.5 -0.780 31.2-131.4-125.9 169.7 -39.7 14.7 -4.8 16 16 A Y E -A 7 0A 8 -9,-0.3 7,-2.4 -2,-0.3 2,-0.4 -0.939 31.8-166.1-124.8 104.4 -38.7 12.2 -7.5 17 17 A V E +AB 6 22A 35 -11,-2.1 -11,-2.3 -2,-0.5 2,-0.4 -0.791 16.9 173.9-102.4 135.4 -41.8 10.3 -8.5 18 18 A K E > S- B 0 21A 69 3,-2.1 3,-0.8 -2,-0.4 -13,-0.2 -0.978 79.3 -13.9-136.4 118.0 -42.0 7.0 -10.5 19 19 A D T 3 S- 0 0 124 -2,-0.4 3,-0.1 -15,-0.3 -1,-0.1 0.895 129.0 -54.4 55.4 43.8 -45.3 5.4 -11.0 20 20 A D T 3 S+ 0 0 152 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.766 114.2 119.2 62.5 27.8 -46.9 7.5 -8.3 21 21 A H E < -B 18 0A 61 -3,-0.8 -3,-2.1 42,-0.0 2,-0.4 -0.989 60.9-133.2-128.7 127.4 -44.2 6.5 -5.8 22 22 A K E -B 17 0A 54 -2,-0.4 40,-2.7 -5,-0.2 -5,-0.2 -0.630 23.4-125.0 -79.5 129.4 -41.8 8.8 -4.1 23 23 A A E -C 61 0B 0 -7,-2.4 2,-0.3 -2,-0.4 38,-0.3 -0.346 30.6-161.5 -66.6 154.6 -38.2 7.7 -4.1 24 24 A I E -C 60 0B 5 36,-2.8 36,-0.7 2,-0.2 14,-0.2 -0.950 43.0 -7.5-139.0 159.5 -36.6 7.6 -0.6 25 25 A Y S S+ 0 0 31 12,-2.6 11,-2.3 -2,-0.3 2,-0.2 -0.134 111.2 8.1 54.2-145.6 -33.1 7.5 0.8 26 26 A W E +De 35 58C 4 31,-2.0 33,-1.8 9,-0.2 34,-0.5 -0.454 65.7 164.0 -75.4 135.0 -30.2 7.2 -1.7 27 27 A H E -D 34 0C 2 7,-2.5 7,-3.0 -2,-0.2 2,-0.6 -0.999 29.1-148.0-147.5 142.6 -30.6 7.3 -5.4 28 28 A K E -D 33 0C 118 -2,-0.3 -26,-2.4 5,-0.2 2,-0.5 -0.958 24.9-177.0-112.6 114.2 -28.2 7.8 -8.4 29 29 A I E > -D 32 0C 13 3,-3.0 3,-1.0 -2,-0.6 -26,-0.1 -0.925 59.1 -34.8-123.5 111.8 -30.1 9.6 -11.2 30 30 A D T 3 S- 0 0 157 -2,-0.5 -1,-0.1 -28,-0.4 3,-0.1 0.899 126.5 -35.8 48.4 55.5 -28.5 10.4 -14.6 31 31 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.467 123.9 89.4 84.3 1.4 -25.0 10.9 -13.4 32 32 A K E < -D 29 0C 98 -3,-1.0 -3,-3.0 51,-0.0 2,-0.5 -0.945 66.3-132.3-131.5 154.1 -25.9 12.6 -10.1 33 33 A T E +D 28 0C 14 -2,-0.3 51,-3.1 51,-0.3 2,-0.3 -0.904 25.8 175.5-111.4 132.1 -26.5 11.4 -6.6 34 34 A Y E -D 27 0C 22 -7,-3.0 -7,-2.5 -2,-0.5 2,-0.4 -0.863 20.0-148.3-129.4 163.1 -29.5 12.4 -4.4 35 35 A Y E +D 26 0C 18 47,-0.3 8,-2.0 -2,-0.3 -9,-0.2 -0.995 11.1 179.6-133.8 125.5 -30.9 11.6 -1.0 36 36 A F >> - 0 0 1 -11,-2.3 4,-1.4 -2,-0.4 3,-0.6 0.285 30.6-143.3-111.3 10.8 -34.7 11.8 -0.3 37 37 A G T 34 - 0 0 12 1,-0.2 -12,-2.6 3,-0.2 -1,-0.3 -0.153 51.0 -40.2 64.3-157.1 -34.9 10.7 3.3 38 38 A D T 34 S+ 0 0 109 -14,-0.2 -1,-0.2 1,-0.2 -14,-0.1 0.596 139.0 25.3 -85.0 -13.2 -37.6 8.6 4.8 39 39 A I T <4 S- 0 0 90 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.315 117.4 -88.9-133.0 9.1 -40.6 10.1 3.0 40 40 A G < + 0 0 0 -4,-1.4 2,-0.3 1,-0.3 -24,-0.2 0.149 69.7 145.1 110.9 -22.2 -39.2 11.6 -0.3 41 41 A E - 0 0 53 -5,-0.1 -1,-0.3 -26,-0.1 2,-0.2 -0.356 50.1-124.8 -60.2 117.1 -38.1 15.2 0.6 42 42 A M - 0 0 4 -28,-2.5 63,-2.8 -2,-0.3 -28,-0.2 -0.430 27.0-138.8 -65.7 128.8 -35.0 16.1 -1.5 43 43 A V B -F 104 0D 6 -8,-2.0 2,-0.3 61,-0.3 61,-0.2 -0.508 18.8-173.3 -91.6 158.3 -32.1 17.2 0.7 44 44 A V + 0 0 10 59,-1.3 59,-0.3 2,-0.2 35,-0.2 -0.987 47.7 3.0-146.6 150.3 -29.6 20.1 0.2 45 45 A G E S+G 78 0E 7 33,-2.1 33,-2.0 -2,-0.3 2,-0.1 -0.381 109.9 8.3 76.2-153.0 -26.4 21.3 2.0 46 46 A W E +Gh 77 101E 0 54,-0.9 56,-2.7 31,-0.2 57,-0.4 -0.424 69.2 174.4 -66.9 134.5 -24.9 19.6 5.0 47 47 A Q E -G 76 0E 10 29,-2.4 29,-2.6 54,-0.2 2,-0.8 -0.995 28.5-150.7-144.9 135.1 -26.4 16.2 5.9 48 48 A Y E +G 75 0E 46 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.911 43.5 157.2-104.0 107.0 -25.5 13.5 8.5 49 49 A L E -G 74 0E 11 25,-2.5 25,-2.6 -2,-0.8 2,-0.1 -0.858 48.5 -87.5-134.1 167.5 -26.7 10.3 6.9 50 50 A E E -G 73 0E 30 -2,-0.3 23,-0.3 23,-0.3 22,-0.1 -0.436 62.3 -94.0 -67.7 142.3 -26.4 6.5 6.8 51 51 A I - 0 0 44 21,-2.4 3,-0.4 -2,-0.1 -1,-0.1 -0.336 42.8-132.4 -63.8 140.0 -23.6 5.5 4.4 52 52 A P S S+ 0 0 37 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.365 73.1 57.4 -87.8 168.1 -24.8 4.7 0.8 53 53 A G S S+ 0 0 67 -2,-0.1 5,-0.1 4,-0.1 -2,-0.0 0.060 74.8 94.7 102.8 -24.9 -23.9 1.7 -1.5 54 54 A T S S- 0 0 72 -3,-0.4 -3,-0.0 1,-0.1 4,-0.0 0.833 88.2-123.5 -69.8 -34.8 -25.1 -1.2 0.7 55 55 A G S > S+ 0 0 41 5,-0.0 3,-1.1 -29,-0.0 -1,-0.1 -0.019 92.0 94.9 113.5 -28.3 -28.5 -1.5 -0.9 56 56 A Y T 3 S+ 0 0 115 1,-0.3 11,-0.2 10,-0.1 15,-0.0 0.689 102.6 23.9 -69.5 -18.0 -30.4 -1.2 2.4 57 57 A R T 3 S+ 0 0 17 -6,-0.1 -31,-2.0 9,-0.1 2,-0.3 -0.158 111.3 91.0-137.7 38.5 -30.9 2.6 1.8 58 58 A D B < S+e 26 0C 23 -3,-1.1 -31,-0.2 -33,-0.2 3,-0.1 -0.975 86.0 6.7-137.8 148.9 -30.5 2.6 -2.0 59 59 A N S S+ 0 0 60 -33,-1.8 2,-0.3 -2,-0.3 -32,-0.1 0.839 90.2 147.9 49.7 38.2 -32.9 2.4 -4.9 60 60 A L E -C 24 0B 17 -36,-0.7 -36,-2.8 -34,-0.5 2,-0.3 -0.780 31.2-167.2-107.5 151.1 -35.8 2.5 -2.5 61 61 A F E > -C 23 0B 18 -2,-0.3 3,-0.9 -38,-0.3 -38,-0.2 -0.887 40.5-105.3-127.6 158.5 -39.3 3.9 -3.0 62 62 A D T 3 S+ 0 0 72 -40,-2.7 -39,-0.1 -2,-0.3 4,-0.1 0.654 117.1 67.9 -59.8 -12.3 -42.0 4.6 -0.4 63 63 A N T 3 S+ 0 0 80 -41,-0.2 -1,-0.3 2,-0.1 -40,-0.0 -0.174 92.8 77.1 -99.6 39.5 -43.8 1.5 -1.8 64 64 A Q S < S- 0 0 79 -3,-0.9 2,-0.2 2,-0.0 -4,-0.0 -0.983 85.2 -96.3-147.8 156.6 -41.1 -0.9 -0.5 65 65 A P - 0 0 124 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.534 34.1-146.5 -73.5 135.1 -40.0 -2.6 2.7 66 66 A V - 0 0 57 -2,-0.2 -9,-0.1 -4,-0.1 -10,-0.1 -0.916 19.0-120.1-110.8 115.7 -37.1 -0.9 4.5 67 67 A N - 0 0 81 -2,-0.6 0, 0.0 -11,-0.2 0, 0.0 -0.209 14.9-132.3 -53.1 131.9 -34.6 -3.1 6.3 68 68 A E + 0 0 193 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.540 66.0 126.4 -64.6 -8.8 -34.4 -2.4 10.1 69 69 A I - 0 0 69 1,-0.1 2,-0.8 -13,-0.0 0, 0.0 -0.247 57.5-140.3 -54.8 136.1 -30.6 -2.4 9.9 70 70 A G - 0 0 60 3,-0.0 -1,-0.1 -20,-0.0 3,-0.1 -0.864 23.6-153.0-103.2 101.3 -29.2 0.8 11.4 71 71 A L - 0 0 32 -2,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.338 23.4 -92.4 -76.1 154.1 -26.3 1.8 9.1 72 72 A Q - 0 0 151 -22,-0.1 -21,-2.4 -2,-0.1 2,-0.3 -0.199 45.6-140.4 -56.6 153.9 -23.2 3.8 10.1 73 73 A E E +G 50 0E 86 -23,-0.3 2,-0.3 -3,-0.1 -23,-0.3 -0.907 25.0 166.9-124.7 152.6 -23.6 7.6 9.5 74 74 A K E -G 49 0E 65 -25,-2.6 -25,-2.5 -2,-0.3 2,-0.3 -0.942 39.2 -87.8-152.1 168.0 -21.3 10.3 8.2 75 75 A W E +G 48 0E 7 -2,-0.3 51,-2.2 51,-0.3 2,-0.3 -0.631 42.2 175.1 -86.1 142.0 -21.4 13.9 7.0 76 76 A Y E -G 47 0E 3 -29,-2.6 -29,-2.4 -2,-0.3 2,-0.5 -0.973 21.3-137.5-141.3 154.0 -22.1 14.7 3.3 77 77 A Y E -G 46 0E 43 47,-0.4 8,-2.9 8,-0.3 2,-0.4 -0.959 15.4-168.0-118.9 130.3 -22.7 17.9 1.4 78 78 A F E -GI 45 84E 0 -33,-2.0 -33,-2.1 -2,-0.5 6,-0.2 -0.892 23.6-117.2-114.3 145.6 -25.3 18.3 -1.3 79 79 A G > - 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