==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 01-NOV-11 3UFH . COMPND 2 MOLECULE: UNDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA SP. HRCR_06; . AUTHOR M.J.EDWARDS,T.A.CLARKE . 800 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 61 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 4 1 1 2 3 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 7 3 3 3 2 4 0 1 2 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 0 1 1 0 0 0 0 1 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 44 A G 0 0 93 0, 0.0 37,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 104.0 -4.3 3.3 -71.7 2 45 A L - 0 0 50 34,-0.2 37,-2.2 37,-0.1 2,-0.2 0.192 360.0-151.4-106.2 137.1 -5.0 3.6 -68.9 3 46 A D B >> -a 39 0A 46 35,-0.2 3,-3.2 1,-0.1 4,-1.7 -0.412 19.5-126.3 -69.5 130.5 -8.3 1.7 -68.8 4 47 A I T 34 S+ 0 0 0 35,-3.0 3,-0.2 1,-0.3 -1,-0.1 0.808 108.2 61.2 -36.7 -42.8 -11.0 2.7 -66.3 5 48 A S T 34 S+ 0 0 56 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.597 112.1 37.2 -74.6 -4.9 -11.1 -0.8 -64.8 6 49 A Q T <4 S+ 0 0 136 -3,-3.2 -1,-0.2 0, 0.0 2,-0.2 0.488 91.2 105.5-119.4 -19.2 -7.4 -0.7 -63.8 7 50 A A < - 0 0 3 -4,-1.7 3,-0.1 -3,-0.2 25,-0.0 -0.508 48.3-171.7 -54.5 127.9 -7.4 3.0 -62.8 8 51 A T S S+ 0 0 112 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.688 71.0 35.1 -99.0 -26.4 -7.4 3.1 -58.9 9 52 A T - 0 0 34 168,-0.1 2,-0.4 2,-0.0 24,-0.3 -0.991 67.2-159.6-125.2 137.4 -7.9 6.9 -58.6 10 53 A L - 0 0 3 166,-2.4 2,-0.4 -2,-0.4 168,-0.2 -0.937 8.3-179.5-109.5 140.2 -10.1 9.2 -60.8 11 54 A K E -B 31 0B 119 20,-1.8 20,-3.3 -2,-0.4 2,-0.4 -0.991 12.6-179.0-128.3 137.5 -9.7 13.0 -61.0 12 55 A A E -B 30 0B 11 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.971 17.7-174.0-136.7 145.2 -12.0 15.0 -63.2 13 56 A T E -B 29 0B 62 16,-0.7 16,-3.0 -2,-0.4 3,-0.3 -0.970 10.3-169.3-135.0 127.5 -12.5 18.6 -64.2 14 57 A L E + 0 0 0 -2,-0.4 14,-0.2 14,-0.3 150,-0.1 -0.479 50.2 126.9 -99.6 50.5 -15.4 19.7 -66.4 15 58 A E E + 0 0 93 11,-0.1 2,-0.5 14,-0.1 -1,-0.2 0.703 52.4 92.3 -74.0 -14.1 -13.7 23.0 -66.7 16 59 A D E S-B 27 0B 71 11,-0.9 11,-3.9 -3,-0.3 -1,-0.0 -0.715 70.3 -14.5-114.4 119.7 -14.1 22.6 -70.4 17 60 A V - 0 0 49 -2,-0.5 2,-0.2 9,-0.2 119,-0.0 -0.009 45.8-138.9 91.5-179.2 -16.6 23.7 -73.1 18 61 A K - 0 0 76 8,-0.1 2,-0.2 6,-0.1 -2,-0.0 -0.710 5.6 -89.8-166.9-175.4 -20.1 24.9 -74.0 19 62 A I + 0 0 21 -2,-0.2 2,-0.2 5,-0.1 5,-0.2 -0.619 10.2 178.0-142.2 179.5 -23.5 25.3 -75.7 20 63 A D B > +C 23 0B 109 3,-1.9 3,-1.4 -2,-0.2 -2,-0.0 -0.909 67.2 30.7 177.4 142.1 -26.2 26.7 -78.2 21 64 A N T 3 S- 0 0 142 1,-0.3 123,-0.2 -2,-0.2 3,-0.1 0.719 125.6 -64.0 73.4 17.2 -29.8 26.4 -79.3 22 65 A G T 3 S+ 0 0 11 1,-0.2 121,-2.3 121,-0.1 2,-0.7 0.345 111.9 122.0 81.4 -7.9 -30.9 25.4 -75.8 23 66 A T E < -CD 20 142B 59 -3,-1.4 -3,-1.9 119,-0.2 2,-0.4 -0.809 49.4-158.4 -95.8 117.5 -28.7 22.3 -76.2 24 67 A V E + 0 0 2 -2,-0.7 115,-3.3 117,-0.6 2,-0.3 -0.787 17.1 166.0-100.8 134.4 -26.0 22.1 -73.5 25 68 A S E - D 0 138B 14 -2,-0.4 2,-0.3 113,-0.3 113,-0.3 -0.985 8.0-176.4-140.2 163.0 -22.8 20.2 -73.6 26 69 A V E - D 0 137B 0 111,-2.4 111,-2.4 -2,-0.3 2,-0.4 -0.998 24.7-118.7-154.0 142.3 -19.5 20.1 -71.6 27 70 A D E -BD 16 136B 20 -11,-3.9 -11,-0.9 -2,-0.3 2,-0.6 -0.722 18.1-158.5 -85.9 136.4 -16.1 18.4 -71.7 28 71 A I E - D 0 135B 2 107,-1.6 107,-2.3 -2,-0.4 2,-1.1 -0.946 5.2-155.6-110.8 108.3 -15.1 16.2 -68.8 29 72 A V E -BD 13 134B 37 -16,-3.0 -16,-0.7 -2,-0.6 2,-0.6 -0.725 15.6-167.0 -85.2 98.0 -11.3 15.7 -68.6 30 73 A L E +B 12 0B 0 103,-1.1 8,-2.4 -2,-1.1 -18,-0.2 -0.722 19.9 151.4 -97.4 118.7 -10.9 12.4 -66.7 31 74 A T E -B 11 0B 33 -20,-3.3 -20,-1.8 -2,-0.6 2,-0.2 -0.611 38.8 -88.1-134.4-175.3 -7.4 11.6 -65.5 32 75 A N - 0 0 20 -22,-0.2 -22,-0.2 -2,-0.2 -1,-0.1 -0.499 44.1-100.4 -88.0 164.4 -5.3 9.8 -62.9 33 76 A A S S+ 0 0 52 -24,-0.3 -1,-0.1 -2,-0.2 -23,-0.1 0.954 135.6 34.3 -35.0 -57.6 -4.0 10.9 -59.5 34 77 A N S S- 0 0 149 -25,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.927 129.0-101.4 -73.5 -42.0 -0.8 11.5 -61.5 35 78 A G + 0 0 43 1,-0.3 -2,-0.1 -24,-0.0 -25,-0.0 0.579 66.3 147.7 126.0 23.1 -2.7 12.5 -64.7 36 79 A V - 0 0 59 1,-0.1 -1,-0.3 -5,-0.0 -34,-0.2 -0.761 56.8-111.5 -75.0 123.5 -2.8 9.7 -67.1 37 80 A P - 0 0 41 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.275 26.6-131.1 -62.0 136.9 -6.1 10.0 -69.0 38 81 A V - 0 0 0 -8,-2.4 3,-0.3 94,-0.1 2,-0.2 -0.835 25.9-166.3 -97.6 124.4 -8.6 7.3 -68.1 39 82 A T B +a 3 0A 33 -37,-2.2 -35,-3.0 -2,-0.6 -37,-0.1 -0.634 57.4 44.1-105.1 159.5 -10.2 5.6 -71.1 40 83 A G >> + 0 0 10 -2,-0.2 3,-1.6 -37,-0.2 4,-0.6 0.399 63.6 124.2 93.8 -3.8 -13.2 3.3 -71.5 41 84 A L G >4 S+ 0 0 2 -3,-0.3 3,-2.5 1,-0.3 83,-0.1 0.943 70.4 61.4 -49.1 -49.2 -15.7 5.1 -69.1 42 85 A E G 34 S+ 0 0 66 1,-0.3 -1,-0.3 82,-0.1 85,-0.1 0.585 114.3 35.6 -61.4 -9.0 -18.3 5.4 -71.9 43 86 A Q G <4 S+ 0 0 131 -3,-1.6 -1,-0.3 81,-0.0 -2,-0.2 0.420 89.3 133.2-112.7 -7.0 -18.3 1.5 -72.0 44 87 A Y X< - 0 0 32 -3,-2.5 3,-0.6 -4,-0.6 80,-0.1 -0.270 41.2-164.1 -75.3 127.8 -17.8 0.8 -68.3 45 88 A A T 3 S+ 0 0 92 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.502 84.4 62.1 -82.5 -4.0 -20.1 -1.7 -66.6 46 89 A Q T 3 + 0 0 104 -5,-0.1 125,-2.7 125,-0.0 2,-0.5 -0.121 66.3 129.9-117.9 36.7 -19.2 -0.5 -63.1 47 90 A I E < -F 170 0C 28 -3,-0.6 123,-0.2 123,-0.2 3,-0.1 -0.809 29.9-178.1 -86.5 125.9 -20.4 3.1 -63.1 48 91 A N E - 0 0 71 121,-2.5 2,-0.3 -2,-0.5 122,-0.2 0.763 67.0 -2.5 -89.3 -38.0 -22.6 4.0 -60.1 49 92 A A E +F 169 0C 11 120,-1.9 120,-2.5 2,-0.0 -1,-0.3 -0.983 41.3 177.3-160.7 145.8 -23.4 7.6 -61.1 50 93 A I E +F 168 0C 2 70,-0.4 73,-0.4 -2,-0.3 2,-0.4 -0.908 27.4 170.3-141.2 113.2 -22.8 10.3 -63.7 51 94 A G E -F 167 0C 0 116,-2.3 116,-1.8 -2,-0.3 2,-0.4 -0.994 12.4-174.7-132.8 133.6 -24.8 13.5 -62.9 52 95 A L E -FG 166 119C 0 67,-2.2 67,-3.3 -2,-0.4 2,-0.3 -0.993 4.8-178.6-129.4 138.8 -24.7 16.9 -64.3 53 96 A G E -F 165 0C 0 112,-1.2 112,-1.8 -2,-0.4 2,-0.3 -0.882 7.6-162.0-129.7 166.7 -26.5 20.0 -63.3 54 97 A I E +F 164 0C 3 -2,-0.3 19,-1.8 110,-0.2 20,-0.6 -0.991 13.0 166.6-152.8 144.5 -26.8 23.6 -64.5 55 98 A A E -FH 163 72C 0 108,-1.5 108,-2.8 -2,-0.3 2,-0.4 -0.981 25.3-131.3-159.7 152.0 -28.0 26.8 -62.9 56 99 A K E -FH 162 71C 9 15,-2.5 15,-2.5 -2,-0.3 2,-1.0 -0.883 21.0-127.2-113.5 151.9 -27.9 30.5 -63.3 57 100 A L E - H 0 70C 14 104,-2.3 104,-0.3 -2,-0.4 13,-0.2 -0.788 33.0-167.2-102.2 94.8 -27.0 33.1 -60.7 58 101 A T E - H 0 69C 22 11,-2.2 11,-2.5 -2,-1.0 2,-0.1 -0.582 16.4-118.9 -87.6 149.7 -30.0 35.5 -60.6 59 102 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 8,-0.1 -0.348 21.1-156.1 -88.9 161.4 -29.9 38.9 -58.9 60 103 A E - 0 0 87 6,-0.5 6,-0.5 -2,-0.1 2,-0.3 -0.954 10.1-173.2-131.1 155.1 -32.1 40.0 -56.1 61 104 A S + 0 0 108 -2,-0.3 2,-0.3 4,-0.1 4,-0.1 -0.951 23.0 120.1-147.4 161.3 -33.1 43.5 -55.0 62 105 A G S S- 0 0 51 2,-0.6 2,-0.3 -2,-0.3 4,-0.1 -0.910 76.0 -19.4 178.1-158.0 -35.0 45.3 -52.2 63 106 A K S S- 0 0 129 -2,-0.3 343,-0.2 2,-0.1 -2,-0.0 -0.507 121.8 -9.9 -64.7 123.6 -34.0 47.9 -49.7 64 107 A G S S- 0 0 15 -2,-0.3 -2,-0.6 341,-0.2 2,-0.3 -0.210 115.2 -33.3 74.5-169.0 -30.2 47.8 -49.4 65 108 A Y - 0 0 73 341,-2.3 341,-0.4 -4,-0.1 2,-0.4 -0.651 54.1-176.0 -88.6 137.8 -28.1 45.1 -51.0 66 109 A K - 0 0 51 -6,-0.5 -6,-0.5 -2,-0.3 273,-0.1 -0.977 28.0-116.5-129.9 140.9 -29.3 41.5 -51.3 67 110 A T - 0 0 13 -2,-0.4 2,-0.1 271,-0.3 133,-0.0 -0.428 30.0-101.0 -81.4 155.9 -27.1 38.8 -52.7 68 111 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.313 36.0-148.7 -66.8 157.4 -27.7 36.8 -55.9 69 112 A Q E -H 58 0C 12 -11,-2.5 -11,-2.2 -2,-0.1 2,-0.2 -0.942 14.2-109.0-138.0 144.5 -29.1 33.3 -55.8 70 113 A W E -H 57 0C 9 -2,-0.3 2,-0.4 -13,-0.2 176,-0.4 -0.491 24.8-167.1 -72.7 141.6 -28.8 30.1 -57.8 71 114 A V E -H 56 0C 16 -15,-2.5 -15,-2.5 -2,-0.2 2,-0.2 -0.992 13.7-143.1-122.8 122.4 -31.7 28.9 -60.0 72 115 A S E -H 55 0C 0 -2,-0.4 -17,-0.2 -17,-0.3 46,-0.1 -0.578 3.8-151.2 -71.1 143.7 -31.5 25.4 -61.4 73 116 A Y S S+ 0 0 1 -19,-1.8 2,-0.7 -2,-0.2 -1,-0.1 0.748 87.2 71.4 -81.8 -26.4 -33.0 25.0 -64.9 74 117 A I + 0 0 23 -20,-0.6 43,-2.2 43,-0.3 2,-0.3 -0.799 68.6 136.4 -95.9 112.6 -33.8 21.4 -63.9 75 118 A N E -K 116 0D 24 -2,-0.7 2,-0.3 41,-0.2 41,-0.2 -0.928 27.3-169.9-145.9 164.6 -36.6 21.3 -61.4 76 119 A S E -K 115 0D 50 39,-1.5 39,-2.3 -2,-0.3 2,-0.6 -0.977 28.6-111.8-156.3 160.1 -39.8 19.3 -60.7 77 120 A V E -K 114 0D 80 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.880 33.4-159.3 -96.0 120.6 -42.8 19.5 -58.5 78 121 A K E -K 113 0D 101 35,-3.0 35,-2.6 -2,-0.6 2,-0.3 -0.864 4.8-144.4-100.5 136.9 -42.8 16.7 -55.9 79 122 A A - 0 0 60 -2,-0.4 2,-0.3 33,-0.2 173,-0.1 -0.708 26.0-105.5 -91.0 157.5 -46.0 15.6 -54.2 80 123 A A - 0 0 22 -2,-0.3 5,-0.1 171,-0.2 32,-0.1 -0.623 25.9-120.4 -81.9 135.0 -46.0 14.4 -50.5 81 124 A D > - 0 0 79 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.659 25.6-139.1 -70.5 118.5 -46.3 10.7 -49.7 82 125 A P G > S+ 0 0 113 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.809 98.0 46.2 -55.2 -43.6 -49.5 10.7 -47.6 83 126 A A G 3 S+ 0 0 71 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.697 116.9 45.2 -75.7 -18.6 -48.4 8.2 -45.0 84 127 A R G < S+ 0 0 18 -3,-1.5 2,-0.7 2,-0.1 -1,-0.2 0.186 79.4 113.1-108.4 15.9 -45.0 10.0 -44.6 85 128 A S S < S- 0 0 26 -3,-0.9 168,-0.2 -4,-0.4 167,-0.1 -0.809 77.3-120.0 -89.4 108.8 -46.5 13.5 -44.4 86 129 A L - 0 0 4 166,-1.4 2,-0.1 -2,-0.7 22,-0.1 -0.306 19.8-136.3 -73.1 137.1 -45.6 14.2 -40.8 87 130 A A - 0 0 50 1,-0.1 2,-0.1 20,-0.1 -1,-0.1 -0.464 27.7-101.2 -81.9 158.9 -48.3 15.0 -38.2 88 131 A N + 0 0 72 -2,-0.1 2,-0.3 20,-0.1 19,-0.2 -0.402 46.4 179.7 -76.0 152.6 -48.0 17.8 -35.7 89 132 A Y E -L 106 0E 16 17,-2.2 17,-3.0 -2,-0.1 2,-0.3 -0.934 17.9-147.9-146.9 169.0 -47.1 16.8 -32.2 90 133 A S E -L 105 0E 43 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.943 10.3-172.5-135.0 162.4 -46.4 18.2 -28.8 91 134 A Y E -L 104 0E 31 13,-2.3 13,-3.4 -2,-0.3 2,-0.2 -0.993 27.4-109.4-149.3 152.0 -44.1 17.3 -25.9 92 135 A T E +L 103 0E 57 -2,-0.3 11,-0.2 11,-0.2 2,-0.1 -0.550 35.9 171.2 -76.7 143.0 -43.5 18.3 -22.3 93 136 A D E - 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