==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-JAN-99 1B7X . COMPND 2 MOLECULE: PROTEIN (THROMBIN LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CACCIA,K.FUTTERER,E.DI CERA,G.WAKSMAN . 275 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 62.5 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 . 76 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 3 1.1 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 . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 0 3 1 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 . 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 3 2 3 0 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 0 1 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 1BA A 0 0 123 0, 0.0 2,-1.1 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 79.0 15.4 18.7 46.6 2 1AA D + 0 0 72 142,-0.0 2,-0.3 2,-0.0 3,-0.1 -0.571 360.0 123.3 -95.0 66.3 14.1 17.2 43.3 3 1 A a + 0 0 27 -2,-1.1 141,-0.2 1,-0.1 142,-0.1 -0.954 55.9 15.1-134.9 153.1 16.5 18.8 40.9 4 2 A G S S+ 0 0 0 139,-2.9 234,-1.5 -2,-0.3 2,-0.6 0.582 87.5 114.0 69.7 13.2 19.0 17.9 38.2 5 3 A L - 0 0 29 138,-0.3 -1,-0.1 232,-0.2 232,-0.1 -0.916 58.3-146.9-120.4 102.0 17.8 14.3 37.9 6 4 A R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.7 -0.513 6.9-142.7 -74.3 126.5 16.3 13.7 34.5 7 5 A P T 3 5S+ 0 0 14 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.887 101.2 45.5 -53.5 -42.0 13.4 11.2 34.5 8 6 A L T 3 5S+ 0 0 28 131,-0.5 30,-0.1 29,-0.3 -2,-0.1 0.419 131.1 16.1 -86.5 4.1 14.4 9.6 31.2 9 7 A F T X >S+ 0 0 15 -3,-1.7 5,-2.2 28,-0.1 3,-1.3 0.289 128.8 31.2-135.1 -90.2 18.1 9.4 32.1 10 8 A E G > 5S+ 0 0 26 1,-0.3 3,-1.7 3,-0.2 -5,-0.1 0.901 124.8 48.3 -42.2 -51.4 19.4 9.7 35.6 11 9 A K G 3 > S+ 0 0 33 2,-0.1 3,-2.1 1,-0.0 4,-0.6 0.527 86.5 99.7-133.5 -6.9 27.4 13.1 25.2 19 14CA E H 3> S+ 0 0 17 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.698 77.7 68.1 -57.2 -19.8 27.4 13.5 29.0 20 14DA R H 3> S+ 0 0 147 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.795 88.4 65.3 -70.6 -27.5 30.5 11.3 29.1 21 14EA E H <> S+ 0 0 44 -3,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.907 102.3 48.9 -58.5 -39.4 32.4 14.1 27.4 22 14FA L H X S+ 0 0 1 -4,-0.6 4,-1.1 -3,-0.3 139,-0.4 0.948 111.0 48.4 -65.5 -47.5 31.8 16.1 30.6 23 14GA L H >< S+ 0 0 116 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.905 109.5 53.8 -58.7 -41.9 33.0 13.3 32.8 24 14HA E H 3< S+ 0 0 123 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 102.2 58.4 -58.8 -41.2 36.1 12.9 30.6 25 14IA S H 3< 0 0 25 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 360.0 360.0 -62.7 -29.5 36.9 16.6 31.0 26 14JA Y << 0 0 67 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.507 360.0 360.0 -67.4 360.0 37.1 16.3 34.8 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 B I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 133.4 23.7 27.1 18.9 29 17 B V B -A 218 0A 13 189,-3.1 189,-1.4 1,-0.2 142,-0.1 -0.871 360.0 -2.6-105.7 134.4 26.5 26.8 16.4 30 18 B E S S+ 0 0 125 140,-0.4 -1,-0.2 -2,-0.4 186,-0.2 0.859 101.9 117.2 59.7 38.1 28.2 23.4 15.6 31 19 B G - 0 0 24 -3,-0.3 2,-0.3 151,-0.1 151,-0.2 -0.306 57.2-112.8-114.3-157.1 26.1 21.4 18.1 32 20 B S E -B 181 0B 58 149,-2.9 149,-2.5 -2,-0.1 2,-0.1 -0.869 33.7 -80.5-137.9 171.0 23.6 18.6 17.8 33 21 B D E -B 180 0B 88 -2,-0.3 147,-0.2 147,-0.2 2,-0.2 -0.440 50.4-116.0 -68.9 146.5 19.9 17.9 18.3 34 22 B A - 0 0 23 145,-2.8 2,-0.2 -2,-0.1 -1,-0.1 -0.545 25.6-116.7 -82.5 151.2 18.9 17.2 21.9 35 23 B E > - 0 0 59 -2,-0.2 3,-2.5 1,-0.1 4,-0.3 -0.588 46.7 -84.3 -82.6 151.0 17.6 13.8 22.9 36 24 B I T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 -0.309 118.4 10.4 -56.4 132.9 14.0 13.8 24.2 37 25 B G T 3 S+ 0 0 6 103,-0.1 -1,-0.3 2,-0.1 -29,-0.3 0.467 92.8 121.2 76.3 -0.2 14.1 14.6 27.9 38 26 B M S < S+ 0 0 3 -3,-2.5 -2,-0.1 1,-0.3 -32,-0.1 0.816 84.7 22.8 -64.5 -33.1 17.7 15.5 27.7 39 27 B S > + 0 0 15 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.535 68.4 162.8-135.2 70.4 17.1 19.1 29.0 40 28 B P T 3 S+ 0 0 2 0, 0.0 102,-1.1 0, 0.0 51,-0.1 0.612 75.5 60.9 -66.0 -13.7 13.8 19.1 30.9 41 29 B W T 3 S+ 0 0 2 100,-0.2 18,-2.5 102,-0.1 103,-0.1 0.465 77.2 123.3 -90.2 -5.5 14.7 22.4 32.6 42 30 B Q E < -K 58 0C 14 -3,-2.0 49,-1.0 16,-0.2 2,-0.4 -0.358 42.5-170.3 -59.0 129.5 14.8 24.1 29.2 43 31 B V E -KL 57 90C 0 14,-2.2 14,-0.6 47,-0.2 2,-0.5 -0.966 15.0-145.9-128.5 141.2 12.4 27.0 29.0 44 32 B M E -KL 56 89C 18 45,-3.4 45,-3.0 -2,-0.4 2,-0.6 -0.930 8.7-152.0-109.2 124.5 11.4 29.2 26.0 45 33 B L E -KL 55 88C 0 10,-2.2 9,-2.9 -2,-0.5 10,-1.2 -0.841 21.4-173.2 -94.2 120.8 10.6 32.9 26.5 46 34 B F E -KL 53 87C 30 41,-2.9 41,-1.8 -2,-0.6 2,-0.5 -0.863 29.6-122.3-118.5 152.6 8.1 34.2 24.0 47 35 B R E > -KL 52 86C 68 5,-3.6 5,-1.4 -2,-0.3 39,-0.2 -0.804 29.0-140.0 -87.3 128.1 6.8 37.6 23.1 48 36 B K T 5S+ 0 0 81 37,-2.5 3,-0.3 -2,-0.5 -1,-0.2 0.943 76.9 41.2 -56.8 -57.5 3.0 37.3 23.6 49 36AB S T 5S+ 0 0 84 36,-0.5 -1,-0.2 1,-0.4 2,-0.1 -0.890 119.5 27.5-151.5 119.3 1.7 39.3 20.6 50 37 B P T 5S- 0 0 95 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.351 108.4-119.0 -70.3 138.6 3.0 39.1 18.0 51 38 B Q T 5 + 0 0 89 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.175 52.1 156.2 -45.8 128.9 4.0 35.6 19.0 52 39 B E E < -K 47 0C 86 -5,-1.4 -5,-3.6 -3,-0.0 2,-0.4 -0.876 44.3-124.7-165.2 126.6 7.8 35.6 18.8 53 40 B L E +K 46 0C 66 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.616 33.1 170.6 -74.7 127.1 10.6 33.5 20.5 54 41 B L E - 0 0 15 -9,-2.9 2,-0.3 -2,-0.4 170,-0.2 0.837 50.3 -28.1-103.8 -46.7 12.9 35.9 22.3 55 42 B b E -K 45 0C 15 -10,-1.2 -10,-2.2 168,-0.1 -1,-0.3 -0.928 57.1 -95.4-158.1-179.2 15.4 33.8 24.4 56 43 B G E +K 44 0C 4 168,-2.6 12,-0.3 -2,-0.3 2,-0.3 -0.268 37.7 169.3 -94.3-172.3 16.1 30.7 26.4 57 44 B A E -K 43 0C 0 -14,-0.6 -14,-2.2 10,-0.1 2,-0.4 -0.926 23.0-122.3 176.5 175.8 15.7 30.4 30.1 58 45 B S E -KM 42 66C 0 8,-1.9 8,-2.8 -2,-0.3 2,-0.4 -1.000 14.3-121.0-147.1 145.4 15.7 27.5 32.7 59 46 B L E + M 0 65C 0 -18,-2.5 85,-2.4 -2,-0.4 6,-0.2 -0.671 28.3 170.6 -83.8 127.9 13.4 26.1 35.3 60 47 B I S S- 0 0 23 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.418 70.7 -7.6-116.9 -3.8 14.8 26.1 38.8 61 48 B S S S- 0 0 33 3,-0.8 -1,-0.2 84,-0.1 74,-0.1 -0.913 93.2 -74.2-169.3-176.5 11.7 25.1 40.7 62 49 B D S S+ 0 0 53 -2,-0.3 73,-3.0 1,-0.2 3,-0.1 0.542 130.4 16.4 -73.2 -2.0 8.0 24.6 39.9 63 50 B R S S+ 0 0 95 71,-0.2 68,-1.8 1,-0.1 2,-0.5 0.385 106.5 84.0-151.2 8.4 7.5 28.4 39.7 64 51 B W E - N 0 130C 17 66,-0.2 -4,-2.8 -3,-0.1 -3,-0.8 -0.979 49.7-174.1-123.2 126.3 10.9 30.2 39.3 65 52 B V E -MN 59 129C 0 64,-2.5 64,-2.4 -2,-0.5 2,-0.3 -0.952 11.5-146.3-122.5 137.9 12.6 30.6 36.0 66 53 B L E +MN 58 128C 0 -8,-2.8 -8,-1.9 -2,-0.4 2,-0.3 -0.722 28.5 147.3-102.4 149.0 16.1 32.1 35.3 67 54 B T E - N 0 127C 0 60,-2.1 60,-2.1 -2,-0.3 2,-0.4 -0.962 49.5 -75.5-165.3 175.4 17.2 34.1 32.2 68 55 B A >> - 0 0 0 -12,-0.3 3,-2.0 -2,-0.3 4,-0.5 -0.707 33.1-134.2 -87.4 136.4 19.5 36.9 31.0 69 56 B A H >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-2.7 0.924 104.5 63.5 -53.2 -44.4 18.4 40.4 32.0 70 57 B H H 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 154,-0.0 0.665 91.1 67.1 -57.6 -15.1 19.1 41.6 28.4 71 58 B b H <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.785 118.1 21.6 -73.8 -27.4 16.4 39.3 27.2 72 59 B L H << S+ 0 0 1 -3,-2.7 9,-2.1 -4,-0.5 2,-0.4 0.662 130.8 38.1-111.1 -27.4 13.8 41.4 29.0 73 60 B L E < +Q 80 0D 33 -4,-2.8 -1,-0.2 7,-0.2 7,-0.2 -0.901 60.8 122.8-137.2 108.1 15.6 44.8 29.4 74 60AB Y E > > -Q 79 0D 25 5,-3.2 3,-2.4 -2,-0.4 5,-1.4 -0.523 33.5-168.7-160.8 81.2 17.8 46.2 26.7 75 60BB P G > 5S+ 0 0 54 0, 0.0 3,-2.7 0, 0.0 5,-0.1 0.791 81.2 66.7 -44.2 -45.1 16.5 49.8 25.6 76 60CB P G 3 5S+ 0 0 79 0, 0.0 43,-0.0 0, 0.0 0, 0.0 0.716 108.5 39.0 -55.1 -22.2 18.8 50.0 22.6 77 60DB W G < 5S- 0 0 131 -3,-2.4 3,-0.1 2,-0.1 -4,-0.0 0.171 122.5-106.9-110.4 12.5 16.9 47.2 20.9 78 60EB D T < 5S+ 0 0 85 -3,-2.7 2,-0.6 1,-0.2 -5,-0.0 0.911 71.1 146.8 63.9 43.2 13.6 48.5 22.3 79 60FB K E < +Q 74 0D 35 -5,-1.4 -5,-3.2 2,-0.1 -1,-0.2 -0.937 6.4 129.7-116.5 112.5 13.3 45.7 24.9 80 60GB N E -Q 73 0D 121 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.513 40.2-169.9-158.3 71.6 11.7 46.7 28.1 81 60HB F - 0 0 24 -9,-2.1 2,-0.3 -10,-0.0 29,-0.1 -0.371 15.8-145.8 -78.3 147.9 9.0 44.1 28.7 82 60IB T > - 0 0 69 -2,-0.1 3,-1.8 1,-0.1 4,-0.5 -0.684 34.5-106.4-100.9 161.8 6.3 44.0 31.2 83 61 B E G > S+ 0 0 53 1,-0.3 3,-1.2 -2,-0.3 24,-0.5 0.885 122.4 53.5 -56.1 -38.3 5.2 40.7 32.7 84 62 B N G 3 S+ 0 0 65 1,-0.2 -1,-0.3 22,-0.1 24,-0.0 0.553 94.6 72.3 -76.0 -4.7 2.0 40.7 30.6 85 63 B D G < S+ 0 0 64 -3,-1.8 -37,-2.5 -37,-0.1 -36,-0.5 0.674 102.5 35.6 -81.3 -18.3 4.1 41.2 27.5 86 64 B L E < -L 47 0C 1 -3,-1.2 21,-0.5 -4,-0.5 2,-0.3 -0.621 53.9-162.3-129.4-177.2 5.3 37.7 27.6 87 65 B L E -L 46 0C 19 -41,-1.8 -41,-2.9 -2,-0.2 2,-0.4 -0.945 19.4-131.5-156.2 168.1 4.8 34.0 28.2 88 66 B V E -LO 45 105C 0 17,-2.5 17,-2.4 -2,-0.3 2,-0.5 -0.940 8.4-149.8-130.2 146.9 7.0 31.0 28.7 89 67 B R E -LO 44 104C 82 -45,-3.0 -45,-3.4 -2,-0.4 2,-0.4 -0.990 14.7-169.0-122.1 130.3 6.9 27.6 27.2 90 68 B I E +LO 43 103C 0 13,-3.0 13,-3.4 -2,-0.5 -47,-0.2 -0.929 63.2 12.3-121.5 140.5 8.2 24.5 29.0 91 69 B G S S+ 0 0 8 -49,-1.0 2,-0.6 -2,-0.4 -1,-0.1 0.737 77.7 155.3 70.7 25.3 8.8 21.0 27.8 92 70 B K - 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