==== 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 28-APR-93 2HPP . COMPND 2 MOLECULE: ALPHA-THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,K.PADMANABHAN . 361 5 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 2 1 1 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 . 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 . 10 3 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 1DL G > 0 0 57 0, 0.0 3,-0.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0-135.3 136.4 22.7 15.3 2 1CL E T 3 + 0 0 79 62,-0.2 63,-0.1 1,-0.2 147,-0.1 -0.504 360.0 83.2 -65.8 100.2 139.9 23.9 14.4 3 1BL A T 3 S+ 0 0 78 -2,-0.7 -1,-0.2 145,-0.1 147,-0.0 0.090 99.1 43.9-167.9 -26.8 141.9 21.4 12.3 4 1AL D S X S+ 0 0 65 -3,-0.8 3,-0.8 145,-0.1 -2,-0.1 0.049 94.3 144.3-112.5 10.8 140.4 22.4 9.0 5 1 L a T 3 + 0 0 13 1,-0.2 144,-0.3 144,-0.1 145,-0.1 -0.108 54.1 18.3 -50.3 157.1 140.9 25.9 10.2 6 2 L G T 3 S+ 0 0 0 142,-1.9 239,-1.8 238,-0.1 2,-0.4 0.438 86.9 111.4 42.8 38.5 141.8 28.7 7.9 7 3 L L < - 0 0 29 -3,-0.8 237,-0.1 141,-0.3 -1,-0.0 -0.901 60.5-142.7-128.3 94.1 140.9 27.2 4.5 8 4 L R > > - 0 0 0 -2,-0.4 5,-2.1 1,-0.1 3,-1.4 -0.420 5.3-143.8 -64.2 131.3 137.9 29.0 3.0 9 5 L P T 3 5S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.708 97.7 50.3 -69.4 -24.0 135.7 26.6 1.2 10 6 L L T 3 5S+ 0 0 30 31,-0.5 32,-0.1 134,-0.4 30,-0.1 0.419 129.6 14.0 -95.8 7.0 134.7 28.9 -1.6 11 7 L F T X>>S+ 0 0 12 -3,-1.4 4,-2.6 30,-0.1 5,-2.1 0.350 126.8 36.7-133.4 -89.6 138.4 29.8 -2.3 12 8 L E T 345S+ 0 0 29 1,-0.3 -2,-0.0 3,-0.3 5,-0.0 0.832 128.1 42.8 -39.9 -43.4 141.3 27.8 -1.0 13 9 L K T 34> - 0 0 3 -2,-0.5 4,-0.6 1,-0.1 3,-0.6 -0.447 40.7 -99.1 -70.7 152.4 140.0 36.3 -3.5 19 14AL K T 34 S+ 0 0 183 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.481 115.5 14.7 -48.1 -9.8 140.3 39.4 -5.5 20 14BL T T >> S+ 0 0 36 2,-0.1 3,-1.9 3,-0.0 4,-1.0 0.397 84.5 109.3-147.1 -4.9 143.3 40.7 -3.3 21 14CL E H X> S+ 0 0 4 -3,-0.6 3,-1.2 1,-0.3 4,-0.7 0.854 82.6 63.0 -43.7 -36.3 144.5 37.8 -1.3 22 14DL R H 3X S+ 0 0 131 -4,-0.6 4,-2.2 1,-0.3 5,-0.4 0.774 86.2 65.6 -59.7 -35.7 147.4 38.3 -3.8 23 14EL E H <> S+ 0 0 60 -3,-1.9 4,-0.6 1,-0.2 -1,-0.3 0.844 105.5 49.6 -52.9 -30.7 148.3 41.8 -2.6 24 14FL L H << S+ 0 0 0 -3,-1.2 142,-0.5 -4,-1.0 -1,-0.2 0.835 108.7 47.3 -79.4 -38.0 149.3 40.0 0.6 25 14GL L H >X S+ 0 0 40 -4,-0.7 3,-1.6 -3,-0.3 4,-1.1 0.871 110.9 49.8 -74.4 -42.0 151.4 37.2 -0.7 26 14HL E H 3X S+ 0 0 99 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.713 97.2 73.9 -64.2 -31.2 153.5 39.3 -2.9 27 14IL S H 3< S+ 0 0 22 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.766 103.4 37.8 -58.2 -20.8 153.9 41.5 0.1 28 14JL Y H <4 S+ 0 0 24 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.843 109.1 55.9 -97.9 -38.5 156.3 38.8 1.5 29 14KL I H < 0 0 139 -4,-1.1 -2,-0.2 0, 0.0 -3,-0.1 0.843 360.0 360.0 -59.6 -34.6 158.3 37.6 -1.5 30 14LL D < 0 0 181 -4,-2.1 -3,-0.1 -5,-0.1 -2,-0.0 0.581 360.0 360.0 -83.8 360.0 159.2 41.2 -2.0 31 !* 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 32 16 H I > 0 0 0 0, 0.0 3,-0.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 129.7 136.2 50.1 7.8 33 17 H V B 3 +A 225 0A 2 192,-2.0 192,-1.7 1,-0.2 143,-0.1 -0.658 360.0 0.7 -82.3 120.7 137.6 53.3 6.2 34 18 H E T 3 S+ 0 0 111 -2,-0.6 -1,-0.2 141,-0.5 189,-0.1 0.782 100.4 130.6 73.7 37.6 138.7 53.1 2.6 35 19 H G < - 0 0 22 -3,-0.9 2,-0.3 140,-0.1 154,-0.2 -0.295 49.9-126.8-102.1-170.3 137.8 49.5 2.3 36 20 H S E -B 188 0B 73 152,-1.1 152,-1.6 -2,-0.1 3,-0.1 -0.924 39.4 -76.7-139.8 150.9 135.8 47.6 -0.4 37 21 H D E -B 187 0B 106 -2,-0.3 150,-0.2 150,-0.2 149,-0.1 -0.294 53.1-114.3 -60.9 132.5 132.9 45.2 -0.2 38 22 H A - 0 0 5 148,-2.7 -1,-0.1 59,-0.1 2,-0.1 -0.380 26.3-120.8 -64.0 146.0 133.9 41.8 1.0 39 23 H E - 0 0 67 -3,-0.1 2,-0.6 1,-0.1 3,-0.4 -0.118 47.2 -85.3 -76.0-177.6 133.5 39.1 -1.6 40 24 H I S S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.1 57,-0.1 -0.919 109.1 6.2-110.5 125.0 131.2 36.4 -0.4 41 25 H G S S+ 0 0 13 -2,-0.6 -31,-0.5 104,-0.1 -1,-0.2 0.454 93.0 122.2 92.3 10.1 132.6 33.6 1.8 42 26 H M S S+ 0 0 6 -3,-0.4 -34,-0.1 1,-0.3 -2,-0.1 0.718 83.6 21.6 -71.4 -31.7 135.9 35.4 1.7 43 27 H S > + 0 0 10 -4,-0.2 3,-0.8 1,-0.1 -1,-0.3 -0.671 68.6 165.3-141.3 81.9 136.1 35.7 5.6 44 28 H P T 3 S+ 0 0 3 0, 0.0 51,-0.3 0, 0.0 103,-0.2 0.644 72.7 65.5 -71.0 -24.8 133.8 33.0 7.0 45 29 H W T 3 S+ 0 0 1 101,-0.2 18,-0.9 -3,-0.1 2,-0.3 0.554 75.6 115.4 -74.6 -15.8 135.4 33.3 10.5 46 30 H Q E < -J 62 0C 4 -3,-0.8 49,-1.0 16,-0.2 50,-0.3 -0.411 47.9-170.4 -67.6 125.1 133.9 36.8 10.7 47 31 H V E -JK 61 94C 0 14,-3.3 14,-1.3 -2,-0.3 2,-0.5 -0.732 17.9-134.4-112.5 155.3 131.3 37.1 13.5 48 32 H M E -JK 60 93C 0 45,-1.8 45,-1.6 -2,-0.3 2,-0.7 -0.975 7.8-156.7-118.0 128.1 128.8 39.8 14.5 49 33 H L E +JK 59 92C 0 10,-2.7 9,-3.0 -2,-0.5 10,-2.1 -0.933 22.8 179.1-117.8 104.5 128.4 40.8 18.2 50 34 H F E -JK 57 91C 23 41,-1.7 41,-2.2 -2,-0.7 2,-0.5 -0.909 30.2-121.0-100.8 124.1 125.0 42.2 18.4 51 35 H R E > -JK 56 90C 54 5,-3.0 5,-1.1 -2,-0.4 39,-0.3 -0.665 26.0-125.2 -83.7 127.4 123.3 43.5 21.6 52 36 H K T 5S+ 0 0 74 37,-2.0 3,-0.2 -2,-0.5 38,-0.2 0.761 86.6 25.2 -35.9 -49.0 120.1 41.6 22.4 53 36AH S T 5S+ 0 0 76 36,-0.5 2,-0.2 1,-0.4 -1,-0.2 -0.718 112.1 44.5-178.6 127.3 118.0 44.8 22.5 54 37 H P T 5S- 0 0 86 0, 0.0 2,-1.4 0, 0.0 -1,-0.4 0.388 101.2-129.0 -46.8 133.9 118.1 47.5 21.4 55 38 H Q T 5 + 0 0 138 -2,-0.2 2,-0.3 -3,-0.2 -3,-0.2 -0.617 56.4 147.7 -70.4 99.5 119.0 45.2 18.5 56 39 H E E < -J 51 0C 93 -2,-1.4 -5,-3.0 -5,-1.1 2,-0.5 -0.961 53.3-114.0-137.0 151.3 122.2 47.1 17.7 57 40 H L E +J 50 0C 32 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.821 36.0 169.0 -85.7 127.4 125.6 46.1 16.3 58 41 H L E - 0 0 30 -9,-3.0 2,-0.3 -2,-0.5 -8,-0.2 0.743 55.6 -30.6-109.4 -39.8 128.3 46.5 18.9 59 42 H b E -J 49 0C 4 -10,-2.1 -10,-2.7 171,-0.1 -1,-0.3 -0.902 55.2-107.9-160.7-171.4 131.5 44.8 17.6 60 43 H G E +J 48 0C 5 171,-3.9 12,-0.4 -2,-0.3 2,-0.3 -0.607 30.6 172.2-123.1-177.3 132.8 42.0 15.4 61 44 H A E -J 47 0C 0 -14,-1.3 -14,-3.3 -2,-0.2 2,-0.3 -0.967 23.5-104.3-175.6-179.3 134.6 38.7 16.2 62 45 H S E -JL 46 70C 0 8,-2.1 8,-2.3 -2,-0.3 2,-0.6 -0.906 16.9-130.0-129.0 153.5 136.0 35.4 15.0 63 46 H L E + L 0 69C 0 -18,-0.9 86,-1.8 -2,-0.3 6,-0.2 -0.895 27.5 172.7 -95.5 111.4 135.1 31.7 15.1 64 47 H I S S- 0 0 0 4,-1.9 2,-0.2 -2,-0.6 -62,-0.2 0.622 75.5 -8.6 -96.7 -15.8 138.3 30.0 16.3 65 48 H S S S- 0 0 17 3,-1.2 84,-0.1 -64,-0.2 -62,-0.0 -0.699 90.6 -83.0-153.8-163.8 136.4 26.7 16.6 66 49 H D S S+ 0 0 42 -2,-0.2 74,-3.0 -3,-0.1 3,-0.1 0.250 125.4 33.8 -96.5 1.0 132.7 25.7 16.4 67 50 H R S S+ 0 0 63 1,-0.2 69,-4.2 72,-0.2 2,-0.4 0.563 108.7 64.6-131.3 -19.5 132.0 26.6 20.0 68 51 H W E - M 0 135C 19 67,-0.2 -4,-1.9 65,-0.0 -3,-1.2 -0.962 51.8-168.1-121.7 139.1 134.1 29.6 20.7 69 52 H V E -LM 63 134C 0 65,-1.9 65,-2.5 -2,-0.4 2,-0.4 -0.897 16.2-147.2-114.0 137.5 134.1 33.2 19.3 70 53 H L E +LM 62 133C 0 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.2 -0.926 28.5 156.4-113.6 141.0 137.1 35.5 20.2 71 54 H T E - M 0 132C 0 61,-2.0 61,-1.1 -2,-0.4 2,-0.5 -0.752 46.4 -71.8-144.3-168.3 136.6 39.2 20.5 72 55 H A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.2 4,-0.5 -0.824 36.0-139.3 -97.5 127.5 137.9 42.5 22.0 73 56 H A G >> S+ 0 0 0 -2,-0.5 3,-3.3 1,-0.3 4,-1.9 0.940 99.3 62.8 -49.1 -57.5 137.4 42.7 25.8 74 57 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 56,-0.0 0.494 89.3 70.0 -48.9 -13.2 136.4 46.3 25.7 75 58 H b G <4 S+ 0 0 3 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.751 114.9 26.6 -73.0 -28.7 133.4 45.4 23.6 76 59 H L T <4 S+ 0 0 0 -3,-3.3 9,-2.2 -4,-0.5 2,-0.5 0.800 130.1 37.8 -98.5 -46.1 132.1 43.7 26.8 77 60 H L E < +P 84 0D 20 -4,-1.9 -1,-0.2 7,-0.2 7,-0.2 -0.966 54.1 129.1-129.0 125.3 133.8 45.8 29.4 78 60AH Y E > > -P 83 0D 17 5,-2.4 3,-1.9 -2,-0.5 5,-1.5 -0.465 23.2-174.9-166.5 83.9 134.6 49.5 29.6 79 60BH P G > 5S+ 0 0 45 0, 0.0 3,-3.4 0, 0.0 5,-0.1 0.798 80.8 68.5 -55.7 -39.3 133.5 51.2 32.8 80 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.751 112.1 37.5 -55.1 -20.5 134.4 54.8 31.7 81 60DH W G < 5S- 0 0 124 -3,-1.9 3,-0.1 2,-0.1 0, 0.0 -0.009 116.2-113.6-116.2 23.9 131.6 54.2 29.3 82 60EH D T < 5 + 0 0 160 -3,-3.4 2,-0.6 1,-0.2 -5,-0.0 0.886 64.1 156.6 41.0 49.0 129.2 52.3 31.6 83 60FH K E < +P 78 0D 64 -5,-1.5 -5,-2.4 2,-0.0 -1,-0.2 -0.934 3.5 144.6-107.4 114.6 129.8 49.4 29.3 84 60GH N E -P 77 0D 117 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.684 18.7-179.9-155.6 95.0 129.2 46.0 30.9 85 60HH F - 0 0 26 -9,-2.2 2,-0.3 -2,-0.2 -2,-0.0 -0.744 8.0-162.4 -99.6 149.0 127.6 43.2 29.0 86 60IH T >> - 0 0 68 -2,-0.3 2,-3.1 28,-0.0 3,-1.7 -0.834 48.3 -84.6-122.6 156.5 126.9 39.8 30.4 87 61 H E T 34 S+ 0 0 40 -2,-0.3 25,-0.1 1,-0.3 -2,-0.0 0.344 126.3 57.6 -51.0 21.3 126.3 36.6 28.3 88 62 H N T 34 S+ 0 0 96 -2,-3.1 -1,-0.3 23,-0.1 -36,-0.0 0.700 91.3 55.5-126.1 -29.8 122.8 37.9 28.2 89 63 H D T <4 S+ 0 0 55 -3,-1.7 -37,-2.0 -37,-0.1 -36,-0.5 0.496 109.6 56.8 -83.2 0.4 122.5 41.3 26.7 90 64 H L E < -K 51 0C 0 -4,-0.6 22,-0.5 -39,-0.3 2,-0.3 -0.781 56.1-174.9-127.9 171.3 124.3 40.0 23.6 91 65 H L E -K 50 0C 22 -41,-2.2 -41,-1.7 -2,-0.3 2,-0.2 -0.968 23.5-120.2-161.1 148.4 124.1 37.4 20.9 92 66 H V E -KN 49 110C 0 18,-1.9 18,-1.8 -2,-0.3 2,-0.4 -0.685 13.5-162.3 -98.0 154.5 126.3 36.2 18.0 93 67 H R E -KN 48 109C 26 -45,-1.6 -45,-1.8 16,-0.3 2,-0.4 -0.984 15.3-164.9-132.4 113.7 125.4 36.2 14.3 94 68 H I E +KN 47 108C 0 14,-3.3 14,-2.2 -2,-0.4 -47,-0.2 -0.856 62.6 13.6-109.6 138.4 127.7 33.9 12.0 95 69 H G S S+ 0 0 10 -49,-1.0 -1,-0.2 -2,-0.4 2,-0.1 0.715 81.7 150.3 77.8 19.7 128.1 33.8 8.2 96 70 H K + 0 0 12 -50,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.434 21.9 173.9 -77.1 156.4 126.3 37.2 7.6 97 71 H H + 0 0 52 1,-0.4 89,-2.1 4,-0.2 2,-0.2 0.583 65.1 59.1-126.8 -55.9 127.3 39.3 4.6 98 72 H S B S-Q 185 0E 16 87,-0.2 -1,-0.4 3,-0.2 87,-0.3 -0.600 75.3-139.3 -79.1 140.2 124.8 42.2 4.6 99 73 H R S S+ 0 0 73 85,-1.1 86,-0.1 -2,-0.2 -1,-0.1 0.797 96.5 26.5 -68.6 -32.8 124.7 44.3 7.8 100 74 H T S S+ 0 0 93 84,-0.5 -1,-0.1 2,-0.0 85,-0.1 0.927 94.9 80.0 -93.0 -77.6 120.9 44.4 7.6 101 75 H R S S- 0 0 143 1,-0.1 2,-0.9 2,-0.0 -4,-0.2 -0.104 75.7-126.9 -43.1 132.9 119.0 41.6 6.0 102 76 H Y - 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