==== 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 11-FEB-98 1A46 . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ST CHARLES,J.H.MATTHEWS,E.ZHANG,A.TULINSKY,M.KAHN . 287 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 63.8 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 . 82 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 2 0 0 1 0 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 . 4 4 1 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 1AL D > 0 0 118 0, 0.0 3,-1.4 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 9.8 10.0 18.7 19.0 2 1 L a T 3 + 0 0 40 1,-0.3 143,-0.2 143,-0.1 144,-0.1 -0.034 360.0 10.2 -50.9 144.2 10.7 15.1 20.2 3 2 L G T 3 S+ 0 0 0 141,-2.4 236,-1.4 1,-0.2 2,-0.7 0.492 91.8 116.1 64.4 9.4 8.0 12.8 21.5 4 3 L L < - 0 0 35 -3,-1.4 -1,-0.2 140,-0.2 234,-0.1 -0.914 61.1-139.6-110.5 109.8 5.1 15.1 20.5 5 4 L R > > - 0 0 0 -2,-0.7 3,-2.1 1,-0.1 5,-1.8 -0.550 6.1-140.0 -76.5 132.7 3.0 13.2 17.9 6 5 L P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.806 102.8 38.8 -54.1 -31.9 1.6 15.0 14.9 7 6 L L T 3 5S+ 0 0 34 133,-0.4 31,-0.1 30,-0.3 -2,-0.1 0.399 129.7 22.7-102.8 1.3 -1.7 13.1 15.0 8 7 L F T X >S+ 0 0 15 -3,-2.1 5,-3.8 29,-0.1 3,-1.2 0.505 126.7 25.6-127.2 -81.7 -2.2 13.0 18.8 9 8 L E G > 5S+ 0 0 25 1,-0.3 3,-0.9 3,-0.3 -2,-0.1 0.835 118.4 56.3 -59.8 -42.3 -0.5 15.5 21.1 10 9 L K G 3 - 0 0 5 -2,-0.3 3,-0.6 23,-0.1 4,-0.4 -0.135 37.7-101.1 -80.4 161.5 -4.7 7.2 21.6 16 14AL K T 3 S+ 0 0 102 1,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.777 114.0 25.4 -66.8 -10.9 -7.0 4.5 22.7 17 14BL T T >> S+ 0 0 42 1,-0.1 3,-0.9 2,-0.1 4,-0.6 0.349 84.7 104.5-130.8 10.7 -4.9 3.0 25.5 18 14CL E H X> S+ 0 0 3 -3,-0.6 4,-1.9 1,-0.2 3,-0.7 0.767 74.0 66.1 -64.4 -28.5 -2.6 5.8 26.7 19 14DL R H 3> S+ 0 0 150 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.822 91.8 61.0 -58.1 -38.2 -4.7 6.3 29.9 20 14EL E H <> S+ 0 0 53 -3,-0.9 4,-0.5 2,-0.2 -1,-0.2 0.863 106.1 48.6 -59.2 -35.1 -3.7 2.9 31.2 21 14FL L H XX S+ 0 0 0 -3,-0.7 3,-1.3 -4,-0.6 4,-0.5 0.973 114.5 44.6 -65.9 -54.1 -0.1 4.1 31.1 22 14GL L H >< S+ 0 0 52 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.871 109.5 54.8 -59.4 -42.1 -1.0 7.4 32.9 23 14HL E H 3< S+ 0 0 101 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.643 103.9 57.5 -67.8 -15.0 -3.2 5.7 35.6 24 14IL S H << S+ 0 0 19 -3,-1.3 2,-3.0 -4,-0.5 -1,-0.3 0.557 79.7 82.5 -90.5 -19.5 -0.3 3.4 36.5 25 14JL Y << 0 0 19 -3,-1.2 -1,-0.2 -4,-0.5 136,-0.1 -0.463 360.0 360.0 -82.8 53.8 2.1 6.3 37.4 26 14KL I 0 0 173 -2,-3.0 -2,-0.2 134,-0.1 -3,-0.2 0.738 360.0 360.0 30.0 360.0 0.1 5.9 40.5 27 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.5 4.0 -9.3 19.9 29 17 H V B -A 219 0A 10 190,-2.4 190,-0.9 1,-0.2 143,-0.1 -0.822 360.0 -5.0 -98.6 121.7 1.9 -11.8 21.8 30 18 H E S S+ 0 0 127 -2,-0.5 -1,-0.2 141,-0.5 187,-0.2 0.877 100.3 125.1 68.6 33.8 -1.6 -10.7 22.9 31 19 H G - 0 0 27 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.060 52.2-121.7 -99.1-155.8 -1.3 -7.1 21.6 32 20 H S E -B 182 0B 69 150,-1.9 150,-2.7 -2,-0.1 2,-0.2 -0.928 33.6 -78.3-149.0 165.4 -3.5 -5.1 19.2 33 21 H D E -B 181 0B 109 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.542 51.8-123.6 -61.9 138.3 -3.2 -3.3 15.9 34 22 H A - 0 0 7 146,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.419 24.1-112.2 -76.5 159.8 -1.7 0.1 16.5 35 23 H E > - 0 0 62 1,-0.1 3,-1.5 -2,-0.1 4,-0.3 -0.459 47.2 -83.8 -81.1 157.7 -3.7 3.2 15.3 36 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.540 117.1 13.4 -64.2 143.5 -2.1 5.1 12.3 37 25 H G T 3 S+ 0 0 12 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.3 0.532 89.7 123.8 65.5 11.6 0.5 7.6 13.5 38 26 H M S < S+ 0 0 7 -3,-1.5 -2,-0.1 1,-0.3 -23,-0.1 0.810 83.6 21.6 -68.5 -39.3 0.6 6.0 17.0 39 27 H S > + 0 0 13 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.626 68.2 170.2-131.0 80.0 4.4 5.3 17.0 40 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.4 0, 0.0 51,-0.1 0.526 76.9 59.0 -71.2 -13.0 6.0 7.7 14.4 41 29 H W T 3 S+ 0 0 2 101,-0.2 18,-3.2 103,-0.1 2,-0.2 0.455 75.9 120.5 -91.1 -0.6 9.5 6.8 15.5 42 30 H Q E < -J 58 0C 4 -3,-2.1 49,-1.0 16,-0.2 2,-0.3 -0.529 43.8-170.0 -68.0 125.6 9.0 3.0 14.7 43 31 H V E -JK 57 90C 0 14,-2.1 14,-1.2 -2,-0.2 2,-0.5 -0.920 16.1-138.3-114.6 152.2 11.6 1.8 12.1 44 32 H M E -JK 56 89C 0 45,-2.7 45,-2.1 -2,-0.3 2,-0.5 -0.948 11.0-144.8-110.0 120.3 11.8 -1.5 10.2 45 33 H L E -JK 55 88C 0 10,-3.5 9,-2.1 -2,-0.5 10,-0.6 -0.762 29.1-169.4 -84.3 126.4 15.2 -3.1 9.7 46 34 H F E -JK 53 87C 0 41,-2.7 41,-2.9 -2,-0.5 2,-0.3 -0.974 20.3-133.1-135.3 130.1 15.1 -4.7 6.3 47 35 H R E > -JK 52 86C 76 5,-3.8 5,-0.9 -2,-0.5 39,-0.2 -0.564 9.2-145.2 -81.0 129.6 17.3 -7.1 4.4 48 36 H K E 5S+J 51 0C 43 37,-1.6 3,-0.3 -2,-0.3 -1,-0.1 0.782 82.1 36.7 -66.9 -26.6 18.2 -6.4 0.8 49 36AH S T 5S+ 0 0 96 1,-0.7 -1,-0.2 36,-0.3 2,-0.2 -0.685 120.5 27.5 173.3 120.1 18.2 -10.1 -0.2 50 37 H P T 5S- 0 0 73 0, 0.0 2,-0.8 0, 0.0 -1,-0.7 0.639 105.8-126.9 -54.7 149.2 16.6 -12.3 0.6 51 38 H Q E 5 +J 48 0C 58 -3,-0.3 2,-0.3 -2,-0.2 230,-0.2 -0.784 56.9 141.2 -74.2 107.3 14.3 -9.2 1.1 52 39 H E E < -J 47 0C 73 -5,-0.9 -5,-3.8 -2,-0.8 2,-0.4 -0.986 59.3 -98.4-152.7 156.5 13.2 -9.8 4.7 53 40 H L E +J 46 0C 36 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.767 34.5 177.8 -73.4 126.4 12.5 -8.1 8.0 54 41 H L E - 0 0 28 -9,-2.1 2,-0.3 -2,-0.4 -1,-0.2 0.806 55.6 -42.5 -91.4 -49.3 15.6 -8.3 10.3 55 42 H b E -J 45 0C 4 -10,-0.6 -10,-3.5 169,-0.1 -1,-0.4 -0.957 56.4 -87.8-169.5 178.5 14.5 -6.4 13.4 56 43 H G E +J 44 0C 2 169,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.291 41.2 171.2 -93.7 172.1 12.7 -3.3 14.8 57 44 H A E -J 43 0C 0 -14,-1.2 -14,-2.1 10,-0.1 2,-0.3 -0.887 22.2-121.4-171.0 174.8 14.4 0.0 15.5 58 45 H S E -JL 42 66C 0 8,-1.6 8,-2.9 -2,-0.3 2,-0.6 -0.995 13.5-127.5-138.9 141.3 13.6 3.6 16.5 59 46 H L E + L 0 65C 0 -18,-3.2 86,-1.9 -2,-0.3 6,-0.2 -0.751 29.9 166.2 -87.9 121.0 14.1 7.1 15.1 60 47 H I E - 0 0 20 4,-1.7 2,-0.3 -2,-0.6 5,-0.2 0.471 68.7 -4.7-107.6 -15.5 15.8 9.5 17.6 61 48 H S E > S- L 0 64C 40 3,-1.1 3,-0.6 85,-0.1 -1,-0.2 -0.936 88.3 -82.8-160.7-174.1 16.8 12.4 15.3 62 49 H D T 3 S+ 0 0 66 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.675 127.3 27.1 -81.5 -7.6 16.6 13.1 11.5 63 50 H R T 3 S+ 0 0 39 72,-0.2 69,-2.9 70,-0.0 2,-0.4 0.342 109.9 79.4-123.8 -1.2 19.8 11.2 10.7 64 51 H W E < -LM 61 131C 7 -3,-0.6 -4,-1.7 67,-0.2 -3,-1.1 -0.968 46.7-173.7-124.2 137.3 20.0 8.6 13.6 65 52 H V E -LM 59 130C 0 65,-2.5 65,-2.2 -2,-0.4 2,-0.4 -0.957 13.6-148.0-123.3 138.6 18.4 5.2 14.4 66 53 H L E +LM 58 129C 0 -8,-2.9 -8,-1.6 -2,-0.4 2,-0.2 -0.934 28.5 150.2-111.5 135.6 18.7 3.2 17.6 67 54 H T E - M 0 128C 0 61,-2.8 61,-2.0 -2,-0.4 2,-0.4 -0.771 49.0 -77.0-145.6-177.3 18.6 -0.6 17.7 68 55 H A > - 0 0 0 -12,-0.4 3,-1.8 59,-0.3 4,-0.3 -0.812 34.8-137.2 -82.3 121.6 19.8 -3.8 19.5 69 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.3 3,-1.5 0.775 101.5 65.9 -53.8 -32.5 23.4 -4.7 18.7 70 57 H H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.586 87.5 70.3 -72.9 -2.2 22.5 -8.4 18.4 71 58 H b G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.737 113.7 26.7 -79.7 -23.0 20.4 -7.4 15.3 72 59 H L T <4 S+ 0 0 0 -3,-1.5 9,-3.2 -4,-0.3 2,-0.5 0.802 129.5 31.9-103.4 -44.1 23.7 -6.8 13.5 73 60 H L E < +P 80 0D 40 -4,-2.1 -1,-0.3 7,-0.3 7,-0.2 -0.980 55.6 138.9-131.9 117.7 26.3 -9.0 15.2 74 60AH Y E > > -P 79 0D 18 5,-2.9 5,-2.4 -2,-0.5 3,-2.0 -0.565 22.9-171.9-159.2 86.5 25.7 -12.4 16.7 75 60BH P G > 5S+ 0 0 49 0, 0.0 3,-3.2 0, 0.0 -1,-0.1 0.852 79.3 70.4 -56.7 -36.0 28.4 -15.0 16.0 76 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.656 111.7 32.9 -52.0 -19.7 26.6 -18.0 17.5 77 60DH W G < 5S- 0 0 135 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 0.050 117.7-108.5-125.8 19.6 24.2 -17.8 14.5 78 60EH D T < 5 + 0 0 156 -3,-3.2 2,-0.6 1,-0.2 -5,-0.0 0.742 66.3 155.8 52.6 37.2 26.7 -16.6 12.0 79 60FH K E < +P 74 0D 43 -5,-2.4 -5,-2.9 1,-0.1 -1,-0.2 -0.827 6.0 145.6 -97.5 123.2 25.1 -13.1 12.0 80 60GH N E -P 73 0D 112 -2,-0.6 -7,-0.3 -7,-0.2 2,-0.2 -0.383 24.7-168.5-151.5 76.6 27.3 -10.1 11.0 81 60HH F - 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