==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-OCT-08 2K9Z . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN TM1112; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR B.MOHANTY,B.PEDRINI,P.SERRANO,M.GERALT,R.HORST,T.HERRMANN,I. . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 43.8 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 . 1 1.1 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-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 . 8 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 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 . 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 PARALLEL BRIDGES PER LADDER . 0 1 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 M 0 0 212 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -72.2 -4.5 13.5 -6.2 2 2 A E + 0 0 125 1,-0.2 66,-0.1 66,-0.0 70,-0.0 -0.412 360.0 29.4 -69.3 164.4 -5.6 11.1 -3.4 3 3 A V S S- 0 0 11 1,-0.2 2,-0.6 -2,-0.1 65,-0.2 0.960 76.0-148.5 50.2 79.9 -3.8 7.6 -3.4 4 4 A K E +A 67 0A 135 63,-2.0 63,-2.4 -3,-0.1 2,-0.4 -0.731 27.3 168.9 -75.0 118.9 -0.4 8.2 -4.9 5 5 A I E +A 66 0A 45 -2,-0.6 2,-0.3 61,-0.2 61,-0.2 -0.994 7.0 141.9-130.8 129.6 0.6 5.0 -6.6 6 6 A E E -A 65 0A 111 59,-2.2 59,-2.6 -2,-0.4 57,-0.1 -0.945 52.6-108.3-155.4 175.6 3.6 4.6 -9.0 7 7 A K - 0 0 160 -2,-0.3 57,-0.1 57,-0.2 59,-0.0 -0.846 44.5-166.7-111.1 85.4 6.4 2.3 -10.0 8 8 A P - 0 0 38 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.232 30.6 -89.4 -69.4 165.2 9.6 3.8 -8.6 9 9 A T > - 0 0 67 1,-0.1 4,-0.9 4,-0.0 3,-0.2 -0.482 32.3-130.3 -61.2 144.2 13.2 3.0 -9.4 10 10 A P H > S+ 0 0 94 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.700 101.4 70.5 -71.8 -18.1 14.5 0.2 -7.0 11 11 A E H >> S+ 0 0 149 1,-0.2 3,-1.5 2,-0.2 4,-1.4 0.962 97.3 46.3 -64.3 -52.7 17.6 2.3 -6.3 12 12 A K H 3> S+ 0 0 128 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.837 104.1 63.8 -61.9 -33.2 15.7 5.0 -4.2 13 13 A L H 3<>S+ 0 0 18 -4,-0.9 5,-1.4 1,-0.2 6,-0.3 0.760 101.9 51.2 -63.8 -24.1 13.9 2.2 -2.3 14 14 A K H X<5S+ 0 0 149 -3,-1.5 3,-2.1 -4,-0.7 -1,-0.2 0.953 110.6 47.7 -67.5 -49.1 17.4 1.1 -1.0 15 15 A E H 3<5S+ 0 0 165 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.851 102.6 61.5 -66.9 -36.0 18.1 4.7 0.1 16 16 A L T 3<5S- 0 0 59 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.577 109.4-127.5 -59.3 -12.3 14.7 5.0 1.8 17 17 A S T X 5 + 0 0 48 -3,-2.1 3,-2.5 -5,-0.2 4,-0.4 0.746 49.0 163.1 60.7 35.0 16.0 2.0 4.0 18 18 A V G > < + 0 0 9 -5,-1.4 3,-1.2 1,-0.3 -4,-0.1 0.790 67.8 64.3 -55.8 -30.5 12.8 0.0 3.2 19 19 A E G 3 S+ 0 0 132 -6,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.796 104.5 48.0 -60.2 -26.2 14.5 -3.2 4.4 20 20 A K G < S+ 0 0 151 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.463 93.7 97.3 -91.8 -9.0 14.6 -1.6 7.9 21 21 A W S < S- 0 0 38 -3,-1.2 2,-0.2 -4,-0.4 66,-0.1 -0.390 90.8 -85.3 -73.1 161.5 11.0 -0.6 7.7 22 22 A P - 0 0 52 0, 0.0 64,-1.8 0, 0.0 2,-0.2 -0.465 40.4-133.0 -65.1 136.3 8.3 -2.8 9.4 23 23 A I - 0 0 85 62,-0.2 2,-0.3 -2,-0.2 62,-0.2 -0.553 19.6-166.9 -70.2 152.5 7.0 -5.7 7.4 24 24 A W + 0 0 74 -2,-0.2 60,-1.7 60,-0.1 2,-0.3 -0.968 7.1 178.7-136.2 149.1 3.2 -6.3 7.3 25 25 A E E +B 83 0A 120 -2,-0.3 2,-0.3 58,-0.2 58,-0.2 -0.935 4.5 177.5-138.1 153.0 1.5 -9.5 6.0 26 26 A K E -B 82 0A 81 56,-1.0 56,-0.8 -2,-0.3 54,-0.0 -0.984 26.8 -96.4-156.6 159.3 -2.2 -10.5 5.8 27 27 A E - 0 0 134 -2,-0.3 2,-1.5 54,-0.2 53,-0.1 -0.168 44.9 -93.2 -69.5 167.8 -4.6 -13.2 4.7 28 28 A V S S+ 0 0 81 51,-0.1 -1,-0.1 53,-0.1 2,-0.1 -0.228 89.5 108.2 -79.3 38.0 -6.7 -13.5 1.5 29 29 A S - 0 0 58 -2,-1.5 49,-2.5 51,-0.1 2,-0.3 -0.172 65.0-119.7-100.3-167.7 -9.7 -11.8 3.1 30 30 A E E +C 77 0A 111 47,-0.3 2,-0.3 -2,-0.1 47,-0.2 -0.984 36.1 151.6-139.6 145.3 -11.3 -8.4 2.6 31 31 A F E -C 76 0A 52 45,-2.2 45,-3.2 -2,-0.3 2,-0.4 -0.895 40.4-105.9-151.1 179.2 -11.9 -5.6 5.1 32 32 A D E -C 75 0A 122 43,-0.3 2,-0.3 -2,-0.3 43,-0.2 -0.962 33.4-163.7-121.6 128.8 -12.2 -1.8 5.2 33 33 A W E -C 74 0A 140 41,-2.4 41,-1.8 -2,-0.4 2,-0.4 -0.779 13.5-148.3-115.4 160.8 -9.3 0.5 6.5 34 34 A Y E -C 73 0A 134 -2,-0.3 2,-0.5 39,-0.2 39,-0.2 -0.977 7.6-157.8-128.7 111.9 -8.9 4.1 7.7 35 35 A Y E +C 72 0A 10 37,-2.9 37,-2.4 -2,-0.4 36,-0.2 -0.833 15.9 172.9 -85.1 127.5 -5.6 5.9 7.2 36 36 A D + 0 0 104 -2,-0.5 2,-0.2 35,-0.2 34,-0.2 0.343 67.9 25.5-120.7 -3.1 -5.4 8.8 9.7 37 37 A T S S- 0 0 55 32,-0.3 34,-0.4 35,-0.1 2,-0.1 -0.855 102.5 -71.5-150.6 171.6 -1.8 9.8 8.9 38 38 A N - 0 0 53 -2,-0.2 51,-2.4 32,-0.2 2,-0.3 -0.470 47.9-174.8 -71.8 147.6 0.5 9.5 5.9 39 39 A E E -DE 68 88A 15 29,-2.3 29,-2.3 49,-0.2 2,-0.5 -0.912 15.1-160.3-149.8 119.6 1.8 6.0 5.1 40 40 A T E +DE 67 87A 18 47,-2.0 47,-1.5 -2,-0.3 2,-0.4 -0.883 21.6 175.7 -96.6 126.4 4.3 5.0 2.4 41 41 A C E -DE 66 86A 0 25,-2.6 25,-2.2 -2,-0.5 2,-0.5 -0.994 19.2-155.9-142.1 125.4 4.0 1.3 1.6 42 42 A Y E -DE 65 85A 46 43,-2.4 43,-1.2 -2,-0.4 2,-0.7 -0.912 19.1-133.5-105.1 123.5 5.8 -0.8 -1.1 43 43 A I E + E 0 84A 0 21,-2.4 20,-1.5 -2,-0.5 41,-0.2 -0.718 29.1 172.1 -78.2 112.4 4.2 -4.0 -2.4 44 44 A L E - 0 0 53 39,-2.5 2,-0.3 -2,-0.7 40,-0.2 0.665 66.6 -7.6 -97.7 -21.7 6.9 -6.7 -2.3 45 45 A E E S+ E 0 83A 101 38,-1.1 38,-2.5 16,-0.1 -1,-0.4 -0.898 99.7 37.8-167.7 149.1 4.6 -9.7 -3.1 46 46 A G E - 0 0 26 -2,-0.3 2,-0.4 36,-0.3 36,-0.2 -0.266 67.7 -86.2 100.9 178.8 0.9 -10.5 -3.5 47 47 A K E + E 0 80A 65 33,-0.5 33,-1.8 34,-0.2 32,-1.3 -0.987 34.1 170.1-133.8 140.6 -2.3 -8.8 -4.8 48 48 A V E -FE 60 78A 0 12,-1.1 12,-1.2 -2,-0.4 2,-0.5 -0.972 23.7-150.2-141.2 147.8 -4.9 -6.4 -3.4 49 49 A E E -FE 59 77A 49 28,-2.5 28,-2.2 -2,-0.3 10,-0.3 -0.950 21.8-173.9-112.7 99.7 -7.9 -4.4 -4.9 50 50 A V E -FE 58 76A 2 8,-2.1 8,-2.7 -2,-0.5 2,-0.3 -0.568 5.4-167.0 -70.6 157.8 -8.2 -1.3 -2.7 51 51 A T E -FE 57 75A 20 24,-1.4 24,-2.9 6,-0.3 6,-0.2 -0.943 9.6-142.3-147.9 136.0 -11.3 0.8 -3.5 52 52 A T > - 0 0 12 4,-2.1 3,-2.0 -2,-0.3 22,-0.2 -0.319 37.4 -97.0 -83.3 175.7 -12.0 4.4 -2.4 53 53 A E T 3 S+ 0 0 135 20,-0.5 -1,-0.1 1,-0.3 21,-0.1 0.823 124.5 67.2 -65.2 -27.0 -15.5 5.7 -1.5 54 54 A D T 3 S- 0 0 140 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.440 117.5-117.4 -65.1 -4.2 -15.7 7.1 -5.1 55 55 A G < + 0 0 43 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.487 67.2 146.4 73.3 5.1 -15.7 3.4 -6.1 56 56 A K - 0 0 121 1,-0.0 -4,-2.1 2,-0.0 2,-0.4 -0.562 43.4-137.7 -65.9 127.8 -12.4 3.8 -7.9 57 57 A K E -F 51 0A 122 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.777 16.0-166.3 -86.2 145.5 -10.4 0.6 -7.6 58 58 A Y E -F 50 0A 71 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.2 -0.766 7.9-179.2-134.4 84.8 -6.7 0.6 -6.9 59 59 A V E -F 49 0A 51 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.572 8.0-165.9 -60.3 143.6 -5.2 -2.7 -7.4 60 60 A I E -F 48 0A 3 -12,-1.2 -12,-1.1 -2,-0.2 2,-0.2 -0.978 3.7-166.6-139.1 132.7 -1.5 -2.6 -6.7 61 61 A E > - 0 0 89 -2,-0.3 3,-2.2 -14,-0.1 2,-0.7 -0.517 46.8 -58.8-111.8-179.4 0.8 -5.5 -7.8 62 62 A K T 3 S+ 0 0 156 1,-0.3 -18,-0.2 -2,-0.2 3,-0.1 -0.582 129.4 36.9 -64.2 107.9 4.4 -6.5 -6.9 63 63 A G T 3 S+ 0 0 21 -20,-1.5 2,-0.6 -2,-0.7 -1,-0.3 0.115 85.1 118.5 128.6 -15.7 6.3 -3.3 -7.9 64 64 A D < - 0 0 9 -3,-2.2 -21,-2.4 -57,-0.1 2,-0.4 -0.724 44.9-161.6 -85.9 120.6 3.8 -0.6 -6.9 65 65 A L E -AD 6 42A 22 -59,-2.6 -59,-2.2 -2,-0.6 2,-0.3 -0.791 15.7-168.3 -83.8 146.8 4.9 1.9 -4.3 66 66 A V E -AD 5 41A 2 -25,-2.2 -25,-2.6 -2,-0.4 2,-0.3 -0.959 20.6-166.9-132.9 149.5 2.0 3.7 -2.6 67 67 A T E -AD 4 40A 42 -63,-2.4 -63,-2.0 -2,-0.3 -27,-0.2 -0.920 10.9-164.3-131.8 111.7 1.6 6.7 -0.3 68 68 A F E - D 0 39A 1 -29,-2.3 -29,-2.3 -2,-0.3 2,-0.1 -0.698 23.8-126.2 -80.4 144.8 -1.8 7.1 1.3 69 69 A P - 0 0 42 0, 0.0 2,-1.2 0, 0.0 -32,-0.3 -0.334 34.3 -74.4 -86.0 178.1 -2.3 10.6 2.8 70 70 A K S S+ 0 0 140 1,-0.2 -34,-0.2 -34,-0.2 -32,-0.2 -0.599 115.0 18.1 -73.5 93.9 -3.4 11.8 6.2 71 71 A G S S+ 0 0 39 -2,-1.2 2,-0.3 -34,-0.4 -35,-0.2 0.782 75.8 136.8 105.4 86.7 -7.1 10.9 6.3 72 72 A L E -C 35 0A 25 -37,-2.4 -37,-2.9 -3,-0.1 2,-0.5 -0.922 31.5-158.0-153.7 140.6 -8.6 8.4 3.7 73 73 A R E +C 34 0A 155 -2,-0.3 -20,-0.5 -39,-0.2 2,-0.3 -0.969 31.1 146.9-124.4 109.5 -11.1 5.6 4.2 74 74 A C E -C 33 0A 2 -41,-1.8 -41,-2.4 -2,-0.5 -22,-0.2 -0.901 44.1-101.4-139.9 166.2 -11.1 2.8 1.6 75 75 A R E -CE 32 51A 91 -24,-2.9 -24,-1.4 -2,-0.3 2,-0.4 -0.562 21.9-151.8 -84.7 162.0 -11.7 -1.0 1.2 76 76 A W E -CE 31 50A 3 -45,-3.2 -45,-2.2 -26,-0.2 2,-0.7 -0.951 8.5-172.8-132.0 110.4 -8.9 -3.6 1.0 77 77 A K E -CE 30 49A 76 -28,-2.2 -28,-2.5 -2,-0.4 2,-1.0 -0.928 14.3-153.9-102.2 103.7 -9.8 -6.8 -1.0 78 78 A V E + E 0 48A 3 -49,-2.5 -30,-0.3 -2,-0.7 -2,-0.0 -0.741 18.0 176.8 -82.8 99.8 -6.8 -9.1 -0.4 79 79 A L E S+ 0 0 61 -32,-1.3 -31,-0.2 -2,-1.0 -1,-0.2 0.629 75.8 7.0 -88.6 -12.8 -7.0 -11.2 -3.5 80 80 A E E S- E 0 47A 113 -33,-1.8 -33,-0.5 -53,-0.1 -1,-0.3 -0.899 101.9 -83.3-150.6 154.0 -3.8 -13.0 -2.5 81 81 A P E - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -54,-0.2 -0.287 56.7-157.5 -57.4 139.0 -1.8 -12.7 0.8 82 82 A V E -B 26 0A 5 -56,-0.8 -56,-1.0 -36,-0.2 2,-0.4 -0.862 19.8-151.7-125.1 156.0 0.4 -9.7 0.5 83 83 A R E +BE 25 45A 100 -38,-2.5 -39,-2.5 -2,-0.3 -38,-1.1 -0.992 21.0 173.5-130.2 117.0 3.6 -8.4 2.0 84 84 A K E - E 0 43A 9 -60,-1.7 2,-0.5 -2,-0.4 -41,-0.2 -0.959 27.8-142.3-130.1 116.0 4.1 -4.6 2.1 85 85 A H E + E 0 42A 26 -43,-1.2 -43,-2.4 -2,-0.4 2,-0.2 -0.658 38.6 180.0 -66.7 120.0 7.0 -2.8 3.9 86 86 A Y E - E 0 41A 59 -64,-1.8 2,-0.3 -2,-0.5 -45,-0.2 -0.766 24.0-166.9-119.5 164.9 5.2 0.3 5.3 87 87 A N E - E 0 40A 70 -47,-1.5 -47,-2.0 -2,-0.2 2,-0.2 -0.850 15.7-141.6-152.5 125.9 6.1 3.4 7.3 88 88 A L E E 0 39A 99 -2,-0.3 -49,-0.2 -49,-0.2 -2,-0.0 -0.527 360.0 360.0 -73.8 148.5 3.6 5.8 9.0 89 89 A F 0 0 127 -51,-2.4 -50,-0.2 -2,-0.2 -1,-0.1 0.067 360.0 360.0-172.2 360.0 4.4 9.6 9.0