==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-APR-02 1LKN . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM1112; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.XIA,A.YEE,A.SEMESI,C.H.ARROWSMITH,NORTHEAST STRUCTURAL . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 62.9 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 . 38 42.7 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 . 7 7.9 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 . 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 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 . 1 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 123 0, 0.0 67,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.4 7.6 -12.4 -4.9 2 2 A E + 0 0 135 65,-0.1 2,-0.7 2,-0.0 65,-0.1 -0.374 360.0 141.0-130.5 54.4 3.8 -11.9 -4.7 3 3 A V + 0 0 34 63,-0.1 2,-0.4 65,-0.1 65,-0.1 -0.872 24.3 179.7-103.1 111.6 3.3 -8.2 -5.3 4 4 A K - 0 0 119 -2,-0.7 2,-0.5 63,-0.1 63,-0.5 -0.868 18.3-146.7-113.0 145.6 0.2 -7.4 -7.4 5 5 A I + 0 0 68 -2,-0.4 2,-0.3 61,-0.2 61,-0.2 -0.943 33.1 147.0-114.1 118.9 -1.1 -4.0 -8.5 6 6 A E B -A 65 0A 97 59,-1.2 59,-2.4 -2,-0.5 -2,-0.0 -0.997 40.2-139.4-151.4 146.2 -4.9 -3.5 -8.8 7 7 A K - 0 0 120 -2,-0.3 57,-0.2 57,-0.2 56,-0.1 -0.855 29.6-133.3-109.9 99.1 -7.4 -0.8 -8.4 8 8 A P - 0 0 11 0, 0.0 -2,-0.0 0, 0.0 34,-0.0 -0.194 19.6-138.9 -53.5 130.5 -10.6 -2.2 -6.7 9 9 A T >> - 0 0 66 1,-0.1 4,-3.1 4,-0.0 3,-1.5 -0.570 32.3 -94.5 -90.1 155.9 -13.8 -1.1 -8.4 10 10 A P H 3> S+ 0 0 104 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.751 129.7 53.1 -37.4 -30.6 -17.0 0.0 -6.5 11 11 A E H 3> S+ 0 0 155 2,-0.2 4,-0.6 1,-0.2 5,-0.1 0.900 114.2 37.7 -75.2 -44.2 -18.0 -3.6 -7.0 12 12 A K H <> S+ 0 0 93 -3,-1.5 4,-1.8 1,-0.2 3,-0.5 0.818 110.9 61.1 -76.1 -32.6 -14.9 -5.1 -5.5 13 13 A L H < S+ 0 0 38 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.806 90.7 70.1 -64.4 -29.9 -14.7 -2.4 -2.8 14 14 A K H >< S+ 0 0 149 -4,-0.9 3,-0.7 -5,-0.4 -1,-0.2 0.928 110.4 31.5 -53.1 -48.4 -18.1 -3.5 -1.5 15 15 A E H 3< S+ 0 0 180 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.781 121.3 52.1 -79.5 -28.7 -16.5 -6.7 -0.2 16 16 A L T 3< S+ 0 0 51 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.157 80.4 174.9 -90.1 14.8 -13.2 -4.9 0.4 17 17 A S X + 0 0 27 -3,-0.7 3,-1.1 1,-0.2 4,-0.3 0.072 8.3 179.3 -28.7 88.0 -15.0 -2.2 2.4 18 18 A V G > + 0 0 16 1,-0.2 3,-1.9 2,-0.2 68,-0.2 0.716 66.6 85.2 -70.9 -20.5 -12.0 -0.3 3.5 19 19 A E G 3 S+ 0 0 136 1,-0.3 -1,-0.2 66,-0.1 -2,-0.1 0.822 90.0 50.5 -48.7 -34.5 -14.3 2.1 5.3 20 20 A K G < S+ 0 0 159 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.711 99.3 83.4 -77.4 -22.2 -14.2 -0.3 8.2 21 21 A W S < S- 0 0 40 -3,-1.9 66,-0.1 -4,-0.3 -3,-0.0 -0.526 91.1 -98.3 -83.7 150.5 -10.4 -0.4 8.1 22 22 A P - 0 0 83 0, 0.0 64,-0.6 0, 0.0 2,-0.3 0.151 37.9-127.1 -53.7-179.7 -8.3 2.3 9.9 23 23 A I E -B 85 0A 90 62,-0.2 2,-0.4 2,-0.0 62,-0.2 -0.988 11.7-153.8-139.0 147.8 -6.8 5.2 8.0 24 24 A W E -B 84 0A 103 60,-1.7 60,-1.2 -2,-0.3 2,-0.5 -0.981 4.0-161.9-125.1 130.5 -3.3 6.7 7.6 25 25 A E E +B 83 0A 136 -2,-0.4 2,-0.3 58,-0.2 58,-0.2 -0.936 20.0 164.2-112.2 128.3 -2.5 10.4 6.8 26 26 A K E -B 82 0A 36 56,-2.1 56,-3.5 -2,-0.5 2,-0.1 -0.998 28.0-135.6-147.6 141.3 0.9 11.3 5.4 27 27 A E - 0 0 125 -2,-0.3 2,-3.7 54,-0.2 51,-0.2 -0.447 54.5 -73.6 -89.9 160.4 2.6 14.2 3.7 28 28 A V S S+ 0 0 65 51,-0.2 -1,-0.1 -2,-0.1 2,-0.1 -0.237 88.4 131.5 -53.7 63.0 5.0 13.9 0.7 29 29 A S - 0 0 38 -2,-3.7 49,-1.1 51,-0.1 2,-0.3 -0.056 56.8-110.9 -94.9-155.9 7.9 12.5 2.9 30 30 A E E -C 77 0A 122 47,-0.2 2,-0.4 -2,-0.1 47,-0.2 -0.963 32.1-178.4-147.3 124.5 10.1 9.5 2.5 31 31 A F E -C 76 0A 77 45,-2.1 45,-3.1 -2,-0.3 2,-0.4 -0.950 25.9-127.1-127.2 149.0 10.0 6.3 4.6 32 32 A D E -C 75 0A 78 -2,-0.4 2,-0.5 43,-0.2 43,-0.2 -0.749 29.1-149.5 -90.2 134.0 12.0 3.0 4.8 33 33 A W E +C 74 0A 47 41,-2.2 41,-1.6 -2,-0.4 2,-0.4 -0.920 19.8 175.0-114.6 130.7 9.7 -0.0 4.7 34 34 A Y E -C 73 0A 156 -2,-0.5 39,-0.2 39,-0.2 38,-0.1 -0.961 21.5-143.4-133.0 113.7 10.4 -3.4 6.3 35 35 A Y + 0 0 1 37,-3.9 3,-0.1 -2,-0.4 35,-0.0 -0.326 26.7 165.8 -75.3 157.9 7.7 -6.1 6.2 36 36 A D + 0 0 105 1,-0.4 2,-0.2 34,-0.1 34,-0.1 0.081 64.8 23.6-159.5 26.2 7.0 -8.5 9.0 37 37 A T S S- 0 0 23 32,-0.1 2,-1.1 2,-0.1 -1,-0.4 -0.737 91.1 -84.1 170.3 141.6 3.6 -10.1 8.1 38 38 A N + 0 0 60 -2,-0.2 51,-1.1 -3,-0.1 2,-0.3 -0.388 67.0 168.2 -58.4 93.6 1.4 -10.8 5.2 39 39 A E E -D 88 0A 14 -2,-1.1 29,-0.8 29,-0.4 2,-0.4 -0.738 26.2-156.8-113.4 162.0 -0.3 -7.4 5.1 40 40 A T E -DE 87 67A 24 47,-1.5 47,-1.2 -2,-0.3 2,-0.3 -0.998 9.8-175.3-139.8 133.4 -2.5 -5.6 2.6 41 41 A C E -DE 86 66A 3 25,-0.9 25,-1.0 -2,-0.4 2,-0.4 -0.938 11.7-148.8-130.7 153.1 -3.1 -1.8 2.2 42 42 A Y E -DE 85 65A 17 43,-2.3 43,-3.7 -2,-0.3 2,-0.3 -0.980 15.0-132.7-125.9 129.4 -5.4 0.3 0.0 43 43 A I E +D 84 0A 0 21,-1.4 20,-0.9 -2,-0.4 41,-0.3 -0.578 26.3 169.2 -80.1 138.5 -4.7 3.7 -1.4 44 44 A L E S- 0 0 46 39,-3.6 40,-0.2 -2,-0.3 -1,-0.1 0.533 74.9 -7.0-120.9 -18.0 -7.4 6.4 -1.0 45 45 A E E S+D 83 0A 99 38,-1.3 38,-1.2 35,-0.1 2,-0.3 -0.433 100.5 61.0 177.1 100.8 -5.5 9.5 -2.0 46 46 A G E - 0 0 7 36,-0.3 16,-1.2 -2,-0.1 2,-0.4 -0.906 61.5-104.5 159.0 174.6 -1.8 9.8 -2.8 47 47 A K E +DF 80 61A 35 33,-1.0 32,-3.3 -2,-0.3 33,-0.7 -0.978 31.0 173.5-135.8 121.8 1.2 8.7 -4.9 48 48 A V E -DF 78 60A 0 12,-1.4 12,-1.7 -2,-0.4 2,-0.6 -0.991 16.8-158.5-132.6 131.2 3.9 6.3 -3.8 49 49 A E E - F 0 59A 81 28,-1.7 2,-0.5 -2,-0.4 28,-0.3 -0.920 16.0-163.5-109.4 112.1 6.8 4.9 -5.8 50 50 A V E - F 0 58A 1 8,-2.0 8,-1.9 -2,-0.6 2,-0.5 -0.829 9.5-176.2-101.7 132.1 8.2 1.7 -4.3 51 51 A T E -GF 75 57A 52 24,-1.2 24,-1.4 -2,-0.5 6,-0.2 -0.965 13.1-152.3-127.5 115.1 11.5 0.2 -5.3 52 52 A T E > -G 74 0A 4 4,-1.2 3,-1.0 -2,-0.5 4,-0.2 -0.531 22.1-125.2 -86.0 151.9 12.6 -3.1 -3.7 53 53 A E T 3 S+ 0 0 113 20,-1.3 -1,-0.1 1,-0.3 21,-0.1 0.846 109.6 66.4 -61.5 -34.6 16.2 -4.2 -3.2 54 54 A D T 3 S- 0 0 104 19,-0.2 -1,-0.3 1,-0.1 20,-0.1 0.819 126.7 -97.3 -56.9 -31.2 15.5 -7.3 -5.2 55 55 A G S < S+ 0 0 63 -3,-1.0 -2,-0.2 1,-0.2 2,-0.2 0.610 82.4 123.3 119.3 24.4 15.0 -5.1 -8.2 56 56 A K - 0 0 83 -4,-0.2 -4,-1.2 2,-0.0 2,-0.3 -0.465 42.5-150.6-105.7 178.9 11.3 -4.7 -8.4 57 57 A K E -F 51 0A 152 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.931 5.4-166.1-156.2 129.0 9.0 -1.7 -8.4 58 58 A Y E -F 50 0A 12 -8,-1.9 -8,-2.0 -2,-0.3 2,-0.7 -0.937 4.8-168.9-121.8 111.8 5.4 -1.1 -7.2 59 59 A V E +F 49 0A 80 -2,-0.5 2,-0.5 -10,-0.2 -10,-0.2 -0.871 12.7 172.8-101.2 115.4 3.6 2.0 -8.3 60 60 A I E +F 48 0A 5 -12,-1.7 -12,-1.4 -2,-0.7 2,-0.4 -0.967 2.7 163.7-128.2 118.0 0.3 2.6 -6.4 61 61 A E E -F 47 0A 89 -2,-0.5 -14,-0.2 1,-0.3 -18,-0.0 -0.989 55.0 -15.9-138.4 130.2 -1.8 5.7 -6.7 62 62 A K S S+ 0 0 108 -16,-1.2 -1,-0.3 -2,-0.4 -18,-0.2 0.894 128.8 3.5 47.7 110.8 -5.4 6.4 -5.7 63 63 A G S S+ 0 0 11 -20,-0.9 2,-0.3 1,-0.2 -19,-0.2 0.970 93.8 133.8 53.3 63.7 -7.5 3.4 -5.0 64 64 A D - 0 0 0 -57,-0.2 -21,-1.4 -21,-0.2 2,-0.4 -0.955 35.3-164.2-146.7 123.8 -4.9 0.7 -5.5 65 65 A L E -AE 6 42A 20 -59,-2.4 -59,-1.2 -2,-0.3 2,-0.3 -0.868 8.7-173.8-110.3 141.8 -4.1 -2.3 -3.2 66 66 A V E - E 0 41A 2 -25,-1.0 -25,-0.9 -2,-0.4 2,-0.3 -0.959 16.1-134.4-133.8 150.8 -1.0 -4.4 -3.3 67 67 A T E - E 0 40A 13 -63,-0.5 -27,-0.1 -2,-0.3 -63,-0.1 -0.746 19.8-171.3-103.4 151.8 0.2 -7.6 -1.6 68 68 A F - 0 0 2 -29,-0.8 -29,-0.4 -2,-0.3 2,-0.3 -0.998 19.6-122.4-144.0 146.4 3.6 -8.2 -0.0 69 69 A P > - 0 0 24 0, 0.0 3,-2.9 0, 0.0 -34,-0.2 -0.683 41.6 -92.1 -90.8 141.3 5.5 -11.2 1.4 70 70 A K T 3 S+ 0 0 140 -2,-0.3 -34,-0.1 1,-0.3 3,-0.1 -0.204 116.6 30.8 -49.2 126.1 6.8 -11.3 5.0 71 71 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -34,-0.1 -36,-0.1 -0.007 80.8 149.8 109.7 -27.3 10.4 -10.0 4.9 72 72 A L < - 0 0 5 -3,-2.9 -37,-3.9 -38,-0.1 2,-0.5 -0.092 24.6-170.5 -42.0 125.8 9.8 -7.6 2.0 73 73 A R E +C 34 0A 132 -39,-0.2 -20,-1.3 -3,-0.1 2,-0.3 -0.953 20.0 140.3-129.7 114.5 12.2 -4.6 2.4 74 74 A C E -CG 33 52A 4 -41,-1.6 -41,-2.2 -2,-0.5 2,-0.5 -0.973 48.7-105.0-149.2 159.5 11.8 -1.6 0.2 75 75 A R E -CG 32 51A 126 -24,-1.4 -24,-1.2 -2,-0.3 2,-0.3 -0.763 30.8-154.0 -92.0 128.5 12.0 2.2 0.3 76 76 A W E +C 31 0A 17 -45,-3.1 -45,-2.1 -2,-0.5 2,-0.3 -0.786 13.4 179.2-102.1 144.5 8.7 4.2 0.2 77 77 A K E -C 30 0A 72 -2,-0.3 -28,-1.7 -28,-0.3 2,-0.3 -0.887 15.8-148.8-149.7 112.8 8.4 7.7 -1.1 78 78 A V E - D 0 48A 9 -49,-1.1 -30,-0.2 -2,-0.3 4,-0.0 -0.612 10.8-174.7 -83.4 137.6 5.2 9.8 -1.3 79 79 A L E S+ 0 0 53 -32,-3.3 -51,-0.2 1,-0.3 -1,-0.1 0.720 75.1 17.3 -99.5 -30.4 4.8 12.3 -4.0 80 80 A E E S- D 0 47A 83 -33,-0.7 -33,-1.0 -53,-0.1 -1,-0.3 -0.968 109.9 -59.4-140.6 153.8 1.5 13.8 -2.9 81 81 A P E - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -54,-0.2 0.003 61.5-142.1 -34.5 121.2 -0.5 13.7 0.4 82 82 A V E +B 26 0A 4 -56,-3.5 -56,-2.1 -36,-0.2 2,-0.4 -0.828 26.7 173.8-103.4 133.8 -1.1 10.0 1.1 83 83 A R E +BD 25 45A 85 -38,-1.2 -39,-3.6 -2,-0.4 -38,-1.3 -0.948 17.4 159.9-136.6 110.7 -4.3 8.5 2.5 84 84 A K E -BD 24 43A 4 -60,-1.2 -60,-1.7 -2,-0.4 -41,-0.3 -0.949 31.3-130.7-135.4 156.4 -4.6 4.7 2.6 85 85 A H E -BD 23 42A 12 -43,-3.7 -43,-2.3 -2,-0.3 2,-0.3 -0.556 25.6-130.0 -99.8 164.0 -6.5 1.9 4.4 86 86 A Y E + D 0 41A 45 -64,-0.6 -45,-0.2 -45,-0.2 -1,-0.0 -0.800 25.7 172.9-118.9 161.3 -5.0 -1.1 6.1 87 87 A N E + D 0 40A 46 -47,-1.2 -47,-1.5 -2,-0.3 2,-0.3 -0.426 20.1 164.4-164.1 73.2 -5.5 -4.9 6.1 88 88 A L E D 0 39A 88 -49,-0.3 -49,-0.2 1,-0.2 -50,-0.1 -0.737 360.0 360.0 -99.5 147.5 -2.9 -6.8 8.0 89 89 A F 0 0 184 -51,-1.1 -1,-0.2 -2,-0.3 -50,-0.1 0.847 360.0 360.0 -96.7 360.0 -3.2 -10.4 9.2