==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-JUN-93 1THS . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.QIU,M.YIN,K.P.PADMANABHAN,J.L.KRSTENANSKY,A.TULINSKY . 294 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.3 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 5 4 0 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 1 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 1EL S 0 0 52 0, 0.0 5,-0.2 0, 0.0 152,-0.1 0.000 360.0 360.0 360.0 -87.4 15.7 15.1 25.2 2 1DL G - 0 0 15 152,-1.0 151,-0.3 2,-0.1 150,-0.1 0.482 360.0 -30.8 -4.2 -66.3 16.0 12.4 22.6 3 1CL E S S- 0 0 64 148,-0.1 150,-0.1 151,-0.1 65,-0.1 0.486 85.6 -83.5-130.5 -89.0 16.1 15.1 19.9 4 1BL A S S+ 0 0 72 147,-0.1 -2,-0.1 149,-0.0 149,-0.1 0.328 122.3 26.5-158.6 -44.1 14.3 18.6 20.1 5 1AL D S > S+ 0 0 80 147,-0.1 3,-1.3 -4,-0.0 148,-0.1 0.094 103.8 157.0-109.1 8.7 10.6 18.5 19.0 6 1 L a T 3 + 0 0 0 1,-0.2 146,-0.2 -5,-0.2 147,-0.1 0.085 48.3 8.1 -40.8 138.8 11.2 15.0 20.2 7 2 L G T 3 S+ 0 0 0 144,-2.3 240,-1.4 239,-0.2 2,-0.6 0.471 90.2 116.3 63.3 14.4 8.5 12.7 21.4 8 3 L L < - 0 0 35 -3,-1.3 -1,-0.1 143,-0.3 238,-0.1 -0.940 59.4-139.9-111.0 108.2 5.4 14.9 20.4 9 4 L R > > - 0 0 0 -2,-0.6 5,-3.0 1,-0.1 3,-1.5 -0.508 6.9-142.1 -75.9 132.0 3.3 13.1 17.7 10 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.873 104.3 44.1 -63.9 -24.3 1.9 15.1 14.9 11 6 L L T 3 5S+ 0 0 32 136,-0.4 34,-0.1 33,-0.3 32,-0.1 0.473 131.9 13.3-101.7 1.8 -1.3 13.0 15.0 12 7 L F T X>>S+ 0 0 13 -3,-1.5 5,-2.2 32,-0.1 3,-1.6 0.408 130.0 30.9-132.1 -84.0 -1.8 13.0 18.8 13 8 L E G >45S+ 0 0 25 1,-0.3 3,-1.1 2,-0.2 -5,-0.1 0.812 118.9 56.4 -47.4 -48.2 0.3 15.4 21.0 14 9 L K G 34 - 0 0 5 -2,-0.2 3,-0.8 26,-0.1 4,-0.5 -0.429 36.5 -99.7 -87.8 164.0 -4.2 7.2 21.6 20 14AL K T 3 S+ 0 0 168 1,-0.2 -2,-0.0 -2,-0.1 -1,-0.0 0.624 114.5 23.1 -62.1 -20.6 -6.5 4.4 22.6 21 14BL T T >> S+ 0 0 55 2,-0.1 3,-1.1 1,-0.1 4,-0.6 0.277 86.0 101.5-129.4 14.0 -4.3 3.0 25.4 22 14CL E H X> S+ 0 0 5 -3,-0.8 4,-1.7 1,-0.3 3,-0.7 0.759 77.0 66.3 -67.4 -28.2 -2.0 5.8 26.6 23 14DL R H 3> S+ 0 0 163 -4,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.801 93.4 62.5 -58.2 -28.1 -4.3 6.4 29.7 24 14EL E H <4 S+ 0 0 63 -3,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.859 105.2 45.3 -65.5 -37.9 -3.2 2.8 30.8 25 14FL L H XX S+ 0 0 0 -3,-0.7 3,-1.2 -4,-0.6 4,-0.7 0.952 113.8 47.8 -66.9 -53.1 0.4 3.9 31.1 26 14GL L H ><>S+ 0 0 23 -4,-1.7 3,-0.7 1,-0.3 5,-0.7 0.842 106.6 55.9 -61.9 -39.6 -0.3 7.3 32.9 27 14HL E T 3<5S+ 0 0 76 -4,-2.2 -1,-0.3 4,-0.3 3,-0.2 0.664 105.1 55.9 -67.3 -16.2 -2.7 5.7 35.5 28 14IL S T <45S+ 0 0 21 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.710 93.2 63.0 -87.1 -23.1 0.3 3.3 36.4 29 14JL Y T <<5S- 0 0 12 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.1 -0.162 141.8 -90.0 -89.4 27.1 2.7 6.2 37.2 30 14KL I T 5S- 0 0 136 -3,-0.2 -3,-0.2 -5,-0.2 -2,-0.2 0.933 89.6 -32.5 50.6 64.8 -0.1 6.5 39.6 31 14LL D S - 0 0 37 1,-0.1 3,-1.0 -2,-0.1 2,-0.4 -0.338 47.7 -81.4 -77.1 169.9 -3.2 3.2 15.2 43 24 H I T 3 S+ 0 0 93 1,-0.2 -1,-0.1 2,-0.1 57,-0.1 -0.640 117.5 9.9 -78.6 131.3 -1.8 5.3 12.3 44 25 H G T 3 S+ 0 0 11 -2,-0.4 -33,-0.3 104,-0.1 -1,-0.2 0.601 91.0 126.2 69.4 21.8 0.9 7.7 13.5 45 26 H M S < S+ 0 0 6 -3,-1.0 -2,-0.1 1,-0.3 -36,-0.1 0.875 81.6 20.7 -73.0 -38.1 1.0 6.0 16.9 46 27 H S > + 0 0 15 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.716 69.4 170.8-137.6 76.1 4.8 5.3 16.9 47 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.1 0, 0.0 -1,-0.1 0.541 76.2 58.2 -68.1 -9.5 6.4 7.6 14.5 48 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.0 103,-0.1 104,-0.1 0.428 78.2 123.4 -96.2 -7.7 10.0 6.8 15.5 49 30 H Q E < -J 65 0C 5 -3,-2.0 49,-0.9 16,-0.2 2,-0.4 -0.402 41.6-173.0 -64.4 130.8 9.3 3.1 14.6 50 31 H V E -JK 64 97C 0 14,-1.6 14,-0.8 47,-0.1 2,-0.5 -0.986 19.4-138.2-127.5 141.5 11.8 1.8 12.0 51 32 H M E -JK 63 96C 0 45,-2.8 45,-1.9 -2,-0.4 2,-0.8 -0.850 9.6-147.7-101.5 131.7 12.1 -1.5 10.1 52 33 H L E -JK 62 95C 0 10,-3.0 9,-3.4 -2,-0.5 10,-0.8 -0.903 30.4-167.9 -94.7 110.4 15.6 -3.0 9.6 53 34 H F E -JK 60 94C 2 41,-4.0 41,-2.2 -2,-0.8 2,-0.4 -0.913 20.2-133.4-116.6 131.3 15.2 -4.7 6.2 54 35 H R E > -JK 59 93C 79 5,-5.3 5,-1.6 -2,-0.5 39,-0.2 -0.638 9.2-149.2 -80.3 133.6 17.4 -7.2 4.4 55 36 H K E > 5S+J 58 0C 77 37,-1.6 3,-0.5 -2,-0.4 -1,-0.1 0.836 79.2 38.7 -69.9 -38.9 18.2 -6.4 0.7 56 36AH S T 3 5S+ 0 0 104 1,-0.7 -1,-0.2 36,-0.3 2,-0.2 -0.773 124.1 26.4-169.7 116.0 18.4 -10.0 -0.5 57 37 H P T 3 5S- 0 0 77 0, 0.0 -1,-0.7 0, 0.0 2,-0.1 0.499 109.5-128.8 -62.2 131.4 16.8 -12.1 0.5 58 38 H Q E < 5 +J 55 0C 71 -3,-0.5 2,-0.3 -2,-0.2 -3,-0.2 -0.549 53.9 149.2 -52.6 117.6 14.6 -9.0 1.0 59 39 H E E < -J 54 0C 68 -5,-1.6 -5,-5.3 -2,-0.1 2,-0.6 -0.984 56.2 -98.4-166.0 156.7 13.6 -9.5 4.6 60 40 H L E +J 53 0C 30 -2,-0.3 -7,-0.2 -7,-0.3 3,-0.1 -0.704 36.8 170.8 -77.4 116.0 12.6 -8.2 8.1 61 41 H L E - 0 0 27 -9,-3.4 2,-0.3 -2,-0.6 -1,-0.2 0.901 54.0 -54.8 -88.2 -59.8 15.7 -8.3 10.3 62 42 H b E -J 52 0C 7 -10,-0.8 -10,-3.0 170,-0.1 -1,-0.4 -0.954 54.3 -84.1-167.3-179.5 14.6 -6.4 13.4 63 43 H G E +J 51 0C 2 170,-2.4 12,-0.4 169,-0.3 2,-0.3 -0.389 39.2 172.0 -91.5 173.0 13.1 -3.1 14.8 64 44 H A E -J 50 0C 0 -14,-0.8 -14,-1.6 10,-0.1 2,-0.3 -0.855 23.2-120.5-173.5 177.2 15.0 0.1 15.5 65 45 H S E -JL 49 73C 0 8,-1.9 8,-2.6 -2,-0.3 2,-0.6 -0.992 14.1-124.5-144.4 144.8 14.1 3.8 16.5 66 46 H L E + L 0 72C 0 -18,-2.0 86,-1.8 -2,-0.3 6,-0.2 -0.851 27.8 171.0 -91.3 124.9 14.7 7.2 14.9 67 47 H I - 0 0 6 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.470 68.6 -11.6-113.0 -10.1 16.4 9.7 17.3 68 48 H S S S- 0 0 22 3,-1.0 3,-0.2 -65,-0.1 -1,-0.2 -0.863 90.1 -76.1-165.9-170.2 17.1 12.6 15.0 69 49 H D S S+ 0 0 59 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.539 129.3 26.9 -80.5 -3.8 17.0 13.1 11.2 70 50 H R S S+ 0 0 57 72,-0.2 69,-2.4 1,-0.1 2,-0.4 0.384 107.5 76.8-133.5 0.8 20.3 11.1 10.7 71 51 H W E - M 0 138C 2 -3,-0.2 -4,-2.4 67,-0.2 -3,-1.0 -0.966 47.9-173.3-122.9 136.0 20.6 8.6 13.6 72 52 H V E -LM 66 137C 0 65,-2.5 65,-2.4 -2,-0.4 2,-0.4 -0.977 12.2-148.4-124.8 144.6 18.9 5.3 14.3 73 53 H L E +LM 65 136C 0 -8,-2.6 -8,-1.9 -2,-0.4 2,-0.2 -0.909 29.4 144.4-116.3 133.1 19.1 3.2 17.4 74 54 H T E - M 0 135C 0 61,-2.2 61,-1.5 -2,-0.4 2,-0.4 -0.796 50.5 -74.1-150.2-176.6 18.9 -0.6 17.5 75 55 H A > - 0 0 0 -12,-0.4 3,-1.8 59,-0.2 4,-0.4 -0.818 32.1-132.5 -90.6 137.8 20.3 -3.7 19.4 76 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.3 3,-1.3 0.776 104.1 65.3 -61.7 -33.4 23.9 -4.8 18.7 77 57 H H G 34 S+ 0 0 29 1,-0.2 -1,-0.3 2,-0.2 9,-0.0 0.586 88.3 67.5 -64.4 -13.9 22.8 -8.4 18.3 78 58 H b G <4 S+ 0 0 1 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.778 115.4 27.4 -73.3 -24.8 20.7 -7.5 15.2 79 59 H L T <4 S+ 0 0 2 -3,-1.3 9,-2.3 -4,-0.4 2,-0.4 0.777 126.8 34.1-105.0 -31.5 24.0 -6.9 13.4 80 60 H L E < +P 87 0D 41 -4,-2.1 -1,-0.3 7,-0.2 7,-0.2 -0.961 52.0 143.0-139.5 114.4 26.6 -9.0 15.0 81 60AH Y E > > -P 86 0D 49 5,-3.2 5,-2.3 -2,-0.4 3,-2.0 -0.645 18.2-177.6-148.8 77.9 26.1 -12.5 16.5 82 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.827 77.6 66.5 -52.3 -35.3 29.2 -14.6 15.8 83 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.852 113.0 36.6 -58.8 -27.2 27.9 -17.8 17.4 84 60DH W G < 5S- 0 0 180 -3,-2.0 3,-0.1 2,-0.1 -3,-0.0 0.076 116.6-112.7-107.9 22.0 25.3 -17.8 14.6 85 60EH D T < 5 + 0 0 156 -3,-2.8 2,-0.5 1,-0.2 0, 0.0 0.674 65.7 155.0 55.0 17.5 27.7 -16.5 11.9 86 60FH K E < +P 81 0D 51 -5,-2.3 -5,-3.2 1,-0.0 -1,-0.2 -0.672 0.5 142.4 -83.1 124.9 25.6 -13.3 11.9 87 60GH N E -P 80 0D 106 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.356 22.9-173.8-164.4 84.3 27.5 -10.2 10.8 88 60HH F - 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