==== 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 23-MAY-09 3HKI . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.S.GANDHI,M.J.PAGE,Z.CHEN,L.BUSH-PELC,E.DI CERA . 614 9 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 0.2 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 . 46 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 1 1 3 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 9 2 6 6 3 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 . 2 0 0 0 0 2 0 2 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 1PA F 0 0 75 0, 0.0 2,-0.3 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 162.7 20.4 11.2 7.6 2 1OA H - 0 0 162 12,-0.1 13,-0.0 1,-0.0 12,-0.0 -0.897 360.0-127.2-143.4 109.5 20.3 10.5 11.4 3 1NA T - 0 0 87 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.410 19.2-173.6 -42.2-179.5 23.5 10.7 13.6 4 1MA F + 0 0 99 1,-0.2 2,-0.2 0, 0.0 -1,-0.1 0.278 62.5 63.4-156.6 -18.9 24.9 8.1 16.0 5 1LA F S S- 0 0 20 288,-0.0 2,-0.7 5,-0.0 -1,-0.2 -0.733 81.5-104.7-117.5 170.7 27.8 9.9 17.7 6 1KA N >> - 0 0 85 -2,-0.2 3,-2.7 1,-0.1 4,-2.3 -0.838 26.2-140.6 -94.4 115.4 28.5 12.9 19.9 7 1JA E H 3> S+ 0 0 136 -2,-0.7 4,-1.7 1,-0.3 -1,-0.1 0.742 98.1 59.3 -44.7 -33.3 29.9 15.8 17.9 8 1IA K H 34 S+ 0 0 176 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.482 115.7 30.3 -84.7 -0.1 32.3 16.6 20.7 9 1HA T H <4 S+ 0 0 25 -3,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.526 129.4 39.9-120.2 -22.2 34.1 13.3 20.9 10 1GA F H < S- 0 0 6 -4,-2.3 67,-0.6 1,-0.3 68,-0.3 0.567 100.2-138.3-103.4 -16.5 33.7 12.5 17.2 11 1FA G < - 0 0 1 -4,-1.7 3,-0.3 -5,-0.4 -1,-0.3 -0.315 42.5 -41.8 82.1-171.2 34.3 15.9 15.7 12 1EA L S S+ 0 0 85 1,-0.2 64,-2.2 2,-0.1 65,-0.3 -0.336 99.5 61.7 -87.4 170.6 32.2 17.3 12.9 13 1DA G > + 0 0 17 62,-0.2 3,-1.0 63,-0.1 4,-0.4 -0.126 61.0 102.6 115.2 -41.5 30.9 15.6 9.8 14 1CA E G > S+ 0 0 21 -3,-0.3 3,-2.5 1,-0.2 -12,-0.1 0.901 80.2 56.6 -44.5 -57.6 28.6 12.8 10.6 15 1BA A G 3 S+ 0 0 63 1,-0.3 -1,-0.2 -14,-0.1 -3,-0.0 0.800 119.0 31.9 -47.1 -38.1 25.4 14.5 9.8 16 1AA D G X S+ 0 0 60 -3,-1.0 3,-1.1 143,-0.0 -1,-0.3 0.221 92.1 141.1-106.9 14.1 26.4 15.3 6.2 17 1 A a T < + 0 0 3 -3,-2.5 142,-0.2 -4,-0.4 3,-0.1 -0.183 58.5 25.2 -57.3 144.7 28.6 12.2 5.8 18 2 A G T 3 S+ 0 0 0 140,-2.3 240,-2.1 239,-0.1 2,-0.6 0.409 85.5 113.3 84.9 -2.0 28.5 10.4 2.5 19 3 A L < - 0 0 33 -3,-1.1 -1,-0.1 139,-0.2 238,-0.1 -0.909 58.8-138.6-111.6 115.1 27.6 13.1 0.1 20 4 A R > > - 0 0 0 -2,-0.6 5,-1.4 1,-0.1 3,-1.0 -0.514 1.9-145.1 -75.1 127.6 30.3 14.1 -2.4 21 5 A P T 3 5S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.842 98.8 40.3 -56.6 -42.2 30.8 17.9 -3.1 22 6 A L T 3 5S+ 0 0 29 132,-0.5 30,-0.1 29,-0.3 7,-0.1 0.480 129.8 23.1 -93.5 2.3 31.7 17.4 -6.8 23 7 A F T X >S+ 0 0 21 -3,-1.0 5,-3.7 28,-0.1 3,-0.6 0.581 128.0 25.1-128.1 -76.8 29.2 14.7 -7.6 24 8 A E G > 5S+ 0 0 19 1,-0.2 3,-4.3 3,-0.2 4,-0.1 0.991 123.4 49.8 -56.3 -70.5 26.0 14.3 -5.5 25 9 A K G 3 - 0 0 0 -2,-0.4 3,-1.2 1,-0.1 4,-0.4 -0.507 41.3 -96.8 -83.0 154.6 31.1 9.7 -11.7 31 14AA T T 3 S+ 0 0 18 1,-0.2 317,-0.5 -2,-0.2 -1,-0.1 0.499 112.7 23.2 -46.5 -13.0 32.0 7.5 -14.6 32 14BA T T 3> S+ 0 0 6 2,-0.1 4,-1.1 316,-0.1 3,-0.4 0.363 78.9 102.8-144.4 11.4 31.0 4.2 -13.0 33 14CA E H <> S+ 0 0 8 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.719 80.4 68.3 -68.8 -18.1 28.5 4.4 -10.2 34 14DA K H > S+ 0 0 37 311,-0.5 4,-3.8 -4,-0.4 5,-0.3 0.941 96.0 54.8 -62.7 -43.1 25.9 3.2 -12.7 35 14EA E H > S+ 0 0 16 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.911 110.8 44.8 -54.4 -45.7 27.7 -0.1 -12.7 36 14FA L H X S+ 0 0 1 -4,-1.1 4,-0.7 2,-0.2 140,-0.4 0.909 114.9 47.3 -67.1 -42.8 27.3 -0.3 -8.9 37 14GA L H >< S+ 0 0 84 -4,-2.8 3,-2.5 1,-0.2 -2,-0.2 0.983 107.6 55.8 -62.7 -53.2 23.7 0.8 -9.0 38 14HA D H 3< S+ 0 0 60 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 105.4 53.4 -46.0 -39.5 22.8 -1.7 -11.8 39 14IA S H 3< 0 0 35 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.644 360.0 360.0 -75.1 -15.3 24.2 -4.5 -9.6 40 14JA Y << 0 0 56 -3,-2.5 -1,-0.2 -4,-0.7 -2,-0.1 -0.336 360.0 360.0 -78.8 360.0 22.0 -3.6 -6.7 41 !* 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 42 16 B I 0 0 0 0, 0.0 2,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 135.1 44.7 -1.7 -7.5 43 17 B V B +A 238 0A 7 195,-3.1 195,-1.8 1,-0.2 143,-0.1 -0.904 360.0 1.9-109.1 124.6 44.8 -4.2 -10.4 44 18 B E S S+ 0 0 96 -2,-0.6 -1,-0.2 141,-0.4 2,-0.2 0.952 101.9 112.8 71.1 54.7 42.5 -3.7 -13.4 45 19 B G - 0 0 22 -3,-0.4 2,-0.3 157,-0.1 157,-0.2 -0.596 56.0-118.2-133.6-163.5 41.0 -0.4 -12.3 46 20 B W E -B 201 0B 57 155,-2.0 155,-2.0 -2,-0.2 -3,-0.0 -0.938 35.7 -67.2-146.7 164.6 41.3 3.1 -13.6 47 21 B D E -B 200 0B 101 -2,-0.3 153,-0.2 153,-0.2 152,-0.1 -0.262 56.1-122.8 -51.1 124.5 42.3 6.7 -12.9 48 22 B A - 0 0 6 151,-2.8 2,-0.3 59,-0.1 -1,-0.1 -0.338 22.6-116.0 -68.3 153.7 40.1 8.1 -10.2 49 23 B E > - 0 0 49 1,-0.1 3,-2.6 -2,-0.0 4,-0.3 -0.706 44.4 -87.4 -88.8 146.9 38.2 11.3 -11.0 50 24 B K T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 57,-0.1 -0.293 115.5 6.5 -54.0 127.8 39.2 14.3 -8.9 51 25 B G T 3 S+ 0 0 12 55,-0.1 -29,-0.3 2,-0.1 -1,-0.3 0.640 87.2 128.3 73.3 15.5 37.0 14.2 -5.8 52 26 B I S < S+ 0 0 2 -3,-2.6 -2,-0.1 1,-0.3 -32,-0.1 0.768 87.2 22.5 -73.5 -22.2 35.4 10.8 -6.6 53 27 B A > + 0 0 9 -4,-0.3 3,-2.7 102,-0.1 -1,-0.3 -0.494 68.8 174.3-143.6 70.9 36.4 9.6 -3.1 54 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.3 0, 0.0 51,-0.1 0.572 79.0 60.6 -55.4 -11.9 36.8 12.6 -0.8 55 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.0 103,-0.1 2,-0.2 0.380 74.0 120.7 -97.3 2.3 37.3 10.3 2.2 56 30 B Q E < -J 72 0C 4 -3,-2.7 49,-1.0 16,-0.2 50,-0.4 -0.474 43.9-169.5 -68.7 130.2 40.4 8.6 0.8 57 31 B V E -JK 71 104C 0 14,-3.3 14,-1.0 -2,-0.2 2,-0.6 -0.934 17.3-139.9-122.9 149.6 43.3 9.0 3.1 58 32 B M E -JK 70 103C 0 45,-2.4 45,-2.0 -2,-0.4 2,-0.8 -0.927 10.9-148.3-105.7 122.8 47.0 8.2 2.5 59 33 B L E -JK 69 102C 0 10,-2.8 9,-2.7 -2,-0.6 10,-1.3 -0.837 26.6-168.2 -89.9 116.2 48.7 6.7 5.5 60 34 B F E -JK 67 101C 0 41,-3.1 41,-1.6 -2,-0.8 2,-0.5 -0.902 22.3-131.6-117.4 130.7 52.3 8.0 5.1 61 35 B R E > -JK 66 100C 65 5,-3.4 5,-1.3 -2,-0.4 39,-0.2 -0.652 16.1-143.8 -76.5 123.4 55.6 7.0 6.9 62 36 B K E 5S+J 65 0C 68 37,-2.6 3,-0.4 -2,-0.5 -1,-0.1 0.807 80.3 38.4 -57.0 -35.0 57.4 10.2 8.2 63 36AB S T 5S+ 0 0 88 1,-0.6 -1,-0.2 36,-0.4 2,-0.1 -0.730 118.6 29.3-173.7 119.8 60.9 8.7 7.5 64 37 B P T 5S- 0 0 84 0, 0.0 -1,-0.6 0, 0.0 -3,-0.1 0.373 106.2-125.9 -60.4 128.2 61.8 7.0 5.2 65 38 B Q E 5 +J 62 0C 78 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.351 53.7 153.8 -51.2 122.4 59.0 9.1 3.6 66 39 B E E < -J 61 0C 83 -5,-1.3 -5,-3.4 238,-0.0 2,-0.6 -0.987 51.6-114.1-159.7 142.9 57.0 6.2 2.3 67 40 B L E +J 60 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.705 37.6 170.7 -81.2 123.3 53.4 5.4 1.3 68 41 B L E - 0 0 27 -9,-2.7 2,-0.3 -2,-0.6 176,-0.2 0.878 49.3 -29.3-100.7 -47.1 52.1 2.7 3.7 69 42 B b E -J 59 0C 6 -10,-1.3 -10,-2.8 174,-0.1 -1,-0.3 -0.954 55.8 -97.4-160.8 175.0 48.5 2.1 3.3 70 43 B G E +J 58 0C 2 174,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.404 40.4 172.5 -93.1 176.4 45.2 3.5 2.4 71 44 B A E -J 57 0C 0 -14,-1.0 -14,-3.3 -2,-0.1 2,-0.4 -0.953 22.5-119.5-172.2 170.3 42.7 4.8 5.0 72 45 B S E -JL 56 80C 0 8,-2.9 8,-2.9 -2,-0.3 2,-0.6 -0.980 12.3-130.7-133.1 145.4 39.4 6.7 5.2 73 46 B L E + L 0 79C 0 -18,-2.0 86,-1.8 -2,-0.4 6,-0.2 -0.789 26.1 170.8 -89.6 114.0 38.1 9.9 6.8 74 47 B I S S- 0 0 2 4,-2.6 2,-0.3 -2,-0.6 5,-0.2 0.669 70.0 -10.1-100.2 -13.2 35.0 9.4 8.9 75 48 B S S S- 0 0 0 3,-1.2 -1,-0.2 -62,-0.1 3,-0.2 -0.911 87.4 -81.5-164.0 178.8 34.8 12.8 10.5 76 49 B D S S+ 0 0 9 -64,-2.2 74,-2.0 -2,-0.3 -65,-0.1 0.478 129.2 32.2 -77.1 6.1 37.1 15.8 10.8 77 50 B R S S+ 0 0 78 -67,-0.6 69,-3.1 -65,-0.3 2,-0.4 0.485 108.9 67.4-132.0 -10.1 39.0 14.2 13.6 78 51 B W E - M 0 145C 0 -68,-0.3 -4,-2.6 67,-0.2 -3,-1.2 -0.952 49.0-174.2-127.5 139.2 38.9 10.4 12.9 79 52 B V E -LM 73 144C 0 65,-2.0 65,-2.4 -2,-0.4 2,-0.4 -0.975 13.2-147.0-129.3 138.0 40.4 8.1 10.3 80 53 B L E +LM 72 143C 0 -8,-2.9 -8,-2.9 -2,-0.4 2,-0.3 -0.794 30.2 145.9-102.6 142.5 39.9 4.4 9.8 81 54 B T E - 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