==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-12 4DT7 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.POZZI,S.BARRANCO-MEDINA,Z.CHEN,E.DI CERA . 586 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 61.1 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 . 155 26.5 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 . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 0 2 2 0 2 1 1 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 . 7 10 1 8 5 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 0 2 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 1DA G 0 0 37 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.4 -3.8 5.5 39.2 2 1CA E > + 0 0 170 1,-0.2 3,-1.7 2,-0.1 151,-0.1 0.920 360.0 60.2 -66.8 -46.4 -1.4 5.1 42.1 3 1BA A T 3 S+ 0 0 86 1,-0.3 -1,-0.2 149,-0.0 149,-0.0 0.693 111.7 35.9 -67.1 -25.2 -3.5 3.0 44.4 4 1AA D T > S+ 0 0 60 -3,-0.2 3,-0.9 147,-0.0 -1,-0.3 0.006 85.2 141.7-114.5 28.8 -4.0 0.0 42.0 5 1 A a T < + 0 0 18 -3,-1.7 146,-0.3 1,-0.2 3,-0.1 -0.330 62.8 18.4 -61.7 146.3 -0.6 0.1 40.4 6 2 A G T 3 S+ 0 0 0 144,-3.1 241,-1.9 1,-0.2 2,-0.4 0.521 89.7 118.5 75.1 9.1 1.1 -3.3 39.7 7 3 A L < - 0 0 32 -3,-0.9 -1,-0.2 143,-0.4 239,-0.1 -0.897 50.7-148.9-108.8 139.0 -1.9 -5.6 39.7 8 4 A R > > - 0 0 0 -2,-0.4 5,-1.9 1,-0.1 3,-1.6 -0.932 5.6-152.6-110.9 118.9 -3.0 -7.6 36.7 9 5 A P T 3 5S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.837 99.4 49.3 -58.4 -31.9 -6.7 -8.3 36.3 10 6 A L T 3 5S+ 0 0 36 136,-0.5 34,-0.1 33,-0.3 136,-0.1 0.520 127.7 19.0 -84.9 -4.5 -5.9 -11.5 34.3 11 7 A F T X >S+ 0 0 15 -3,-1.6 5,-2.2 32,-0.1 3,-1.6 0.523 128.2 25.3-126.6 -87.5 -3.4 -12.7 36.8 12 8 A E G > 5S+ 0 0 27 1,-0.3 3,-1.2 3,-0.2 -2,-0.1 0.842 120.3 56.0 -57.2 -39.2 -3.1 -11.6 40.5 13 9 A K G 3 - 0 0 7 -2,-0.3 3,-0.6 26,-0.1 4,-0.4 -0.364 35.8 -95.0 -81.6 170.6 2.1 -16.4 34.8 19 14AA K T 3 S+ 0 0 101 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.714 115.7 20.6 -62.6 -24.8 4.4 -19.0 33.1 20 14BA T T >> S+ 0 0 37 2,-0.1 4,-0.6 1,-0.1 3,-0.6 0.312 87.0 101.5-130.2 9.4 7.7 -17.6 34.5 21 14CA E H X> S+ 0 0 15 -3,-0.6 4,-1.6 1,-0.2 3,-0.8 0.820 77.4 64.6 -67.8 -28.6 7.1 -15.4 37.5 22 14DA R H 3> S+ 0 0 152 -4,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.836 92.5 63.9 -62.4 -31.4 8.2 -18.2 39.9 23 14EA E H <> S+ 0 0 55 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.846 103.0 49.3 -58.4 -34.3 11.7 -17.9 38.4 24 14FA L H S+ 0 0 91 -4,-3.1 4,-2.9 1,-0.2 5,-0.9 0.888 105.4 51.3 -57.7 -40.7 13.1 -18.3 43.3 27 14IA S H <5S+ 0 0 10 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.854 109.6 50.0 -66.8 -33.8 16.0 -15.8 42.7 28 14JA Y H <5S+ 0 0 15 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.790 122.9 30.2 -72.6 -28.3 14.8 -13.7 45.7 29 14KA I H <5S- 0 0 136 -4,-1.6 -2,-0.2 -3,-0.1 -3,-0.2 0.822 138.8 -2.2-102.6 -42.0 14.6 -16.6 48.1 30 14LA D T <5 - 0 0 83 -4,-2.9 -3,-0.2 -5,-0.3 -4,-0.1 0.685 54.8-178.8-118.5 -78.7 17.2 -19.1 46.9 31 14MA G < 0 0 60 -5,-0.9 -4,-0.1 1,-0.3 -5,-0.1 0.218 360.0 360.0 91.8 -17.9 19.3 -18.5 43.8 32 15 A R 0 0 275 -6,-0.2 -1,-0.3 -5,-0.0 -2,-0.1 -0.497 360.0 360.0 -75.9 360.0 21.3 -21.7 43.9 33 !* 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 34 16 B I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.9 14.2 -8.9 23.2 35 17 B V B -A 227 0A 3 192,-2.9 192,-1.5 1,-0.2 143,-0.1 -0.840 360.0 -0.0-103.2 133.5 16.9 -11.6 22.6 36 18 B E S S+ 0 0 59 141,-0.5 -1,-0.2 -2,-0.4 189,-0.1 0.790 102.6 118.0 61.3 32.2 16.4 -15.2 23.9 37 19 B G - 0 0 18 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.169 55.3-127.1-101.9-157.3 13.0 -14.5 25.4 38 20 B S E -B 190 0B 49 152,-2.0 152,-2.6 -2,-0.1 2,-0.1 -0.890 37.6 -66.4-145.6 174.3 9.6 -15.9 24.6 39 21 B D E -B 189 0B 59 -2,-0.3 150,-0.2 150,-0.2 2,-0.1 -0.422 51.6-120.0 -64.8 135.4 6.1 -14.7 23.7 40 22 B A - 0 0 5 148,-3.2 2,-0.2 -2,-0.1 -1,-0.1 -0.452 25.7-116.9 -69.6 146.5 4.3 -12.7 26.5 41 23 B E > - 0 0 61 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.514 48.6 -81.7 -73.4 156.5 1.0 -14.2 27.7 42 24 B I T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.437 116.4 6.9 -64.6 129.6 -2.0 -11.9 27.0 43 25 B G T 3 S+ 0 0 11 -2,-0.2 -33,-0.3 104,-0.1 -1,-0.3 0.609 90.7 124.9 75.5 11.7 -2.3 -9.2 29.8 44 26 B M S < S+ 0 0 3 -3,-1.8 -2,-0.1 1,-0.3 -26,-0.1 0.785 85.2 23.3 -71.4 -29.6 1.1 -10.3 31.3 45 27 B S S > S+ 0 0 11 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.557 71.0 165.1-136.4 68.6 2.5 -6.8 31.1 46 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.525 74.3 62.2 -74.8 -5.5 -0.5 -4.4 30.9 47 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.6 103,-0.1 104,-0.2 0.479 76.9 119.3 -88.6 -8.0 1.6 -1.3 31.7 48 30 B Q E < -K 64 0C 3 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.398 46.2-166.9 -62.4 128.7 3.6 -1.9 28.5 49 31 B V E -KL 63 96C 0 14,-2.6 14,-1.0 47,-0.2 2,-0.5 -0.944 11.5-144.8-120.5 138.9 3.3 1.1 26.1 50 32 B M E -KL 62 95C 0 45,-2.7 45,-2.4 -2,-0.4 2,-0.6 -0.930 4.4-152.3-102.6 125.2 4.3 1.1 22.4 51 33 B L E +KL 61 94C 1 10,-3.2 9,-2.3 -2,-0.5 10,-1.5 -0.890 33.1 171.8 -93.0 120.1 5.8 4.3 21.0 52 34 B F E -KL 59 93C 25 41,-1.7 41,-1.4 -2,-0.6 2,-0.4 -0.985 32.1-158.1-141.4 129.7 4.8 4.2 17.3 53 35 B R E > -K 58 0C 64 5,-2.4 5,-3.1 -2,-0.4 39,-0.1 -0.940 7.7-160.4-107.4 143.9 4.9 6.4 14.3 54 36 B K E 5S+K 57 0C 83 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.611 72.1 65.4 -98.0 -18.0 2.5 5.5 11.5 55 36AB S T 5S+ 0 0 100 1,-0.7 -1,-0.3 3,-0.1 2,-0.1 -0.818 115.8 21.1-154.3 107.1 4.2 7.3 8.6 56 37 B P T 5S- 0 0 87 0, 0.0 -1,-0.7 0, 0.0 2,-0.5 0.582 115.0-123.2 -62.4 143.8 6.9 6.1 8.0 57 38 B Q E 5 +K 54 0C 137 -3,-0.5 2,-0.3 -2,-0.1 -3,-0.3 -0.471 53.2 144.2 -68.4 113.0 5.5 3.0 9.8 58 39 B E E < -K 53 0C 86 -5,-3.1 -5,-2.4 -2,-0.5 2,-0.7 -0.996 54.7-128.8-152.2 140.6 7.8 2.2 12.7 59 40 B L E +K 52 0C 24 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.853 31.4 179.7 -78.4 115.4 8.0 0.9 16.2 60 41 B L E - 0 0 21 -9,-2.3 2,-0.3 -2,-0.7 -8,-0.2 0.956 51.0 -40.8 -78.9 -59.3 10.1 3.6 17.8 61 42 B b E -K 51 0C 1 -10,-1.5 -10,-3.2 171,-0.1 -1,-0.3 -0.934 50.0-101.2-160.5 167.0 10.4 2.4 21.4 62 43 B G E +K 50 0C 2 171,-2.4 12,-0.4 -2,-0.3 2,-0.3 -0.426 37.2 169.4 -90.8 178.3 8.7 0.8 24.4 63 44 B A E -K 49 0C 0 -14,-1.0 -14,-2.6 -2,-0.2 2,-0.4 -0.932 24.4-114.8-174.4 179.0 7.5 2.7 27.5 64 45 B S E -KM 48 72C 0 8,-2.3 8,-3.1 -2,-0.3 2,-0.6 -0.995 13.2-127.5-140.7 140.8 5.5 2.2 30.6 65 46 B L E + M 0 71C 0 -18,-2.6 86,-2.4 -2,-0.4 6,-0.2 -0.771 28.7 169.8 -85.4 124.0 2.2 3.4 32.0 66 47 B I - 0 0 16 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.520 64.9 -10.1-116.4 -10.5 2.6 4.7 35.6 67 48 B S S S- 0 0 19 3,-1.1 -1,-0.2 85,-0.1 84,-0.1 -0.901 88.6 -74.9-159.8-166.5 -0.7 6.4 36.3 68 49 B D S S+ 0 0 42 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.742 129.7 22.1 -68.7 -19.9 -3.9 7.4 34.3 69 50 B R S S+ 0 0 111 72,-0.2 69,-3.4 1,-0.0 2,-0.4 0.443 108.5 78.2-128.6 -7.6 -2.1 10.3 32.7 70 51 B W E - N 0 137C 10 67,-0.2 -4,-2.1 65,-0.0 -3,-1.1 -0.915 47.4-170.9-119.8 140.9 1.6 9.7 32.8 71 52 B V E -MN 65 136C 0 65,-2.3 65,-2.5 -2,-0.4 2,-0.4 -0.986 12.7-148.0-128.0 136.0 3.9 7.5 30.7 72 53 B L E +MN 64 135C 0 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.2 -0.843 29.1 145.9-107.5 137.3 7.6 6.8 31.4 73 54 B T E - N 0 134C 0 61,-2.6 61,-2.3 -2,-0.4 2,-0.4 -0.861 50.0 -74.1-151.1-175.9 10.3 6.2 28.7 74 55 B A >> - 0 0 0 -12,-0.4 3,-1.4 59,-0.3 4,-0.5 -0.779 35.6-131.8 -87.7 138.3 14.0 6.7 27.8 75 56 B A H >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 3,-1.9 0.880 105.4 60.6 -52.0 -42.9 15.0 10.2 26.8 76 57 B H H 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 157,-0.0 0.638 90.7 68.8 -66.5 -16.3 16.8 8.9 23.7 77 58 B b H <4 S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.796 117.8 22.9 -64.0 -28.7 13.6 7.5 22.4 78 59 B L H << S+ 0 0 1 -3,-1.9 9,-2.6 -4,-0.5 2,-0.4 0.716 131.8 34.7-111.3 -31.7 12.4 11.1 21.9 79 60 B L E < +Q 86 0D 37 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.922 58.3 137.1-134.5 107.7 15.7 13.1 21.7 80 60AB Y E > > -Q 85 0D 21 5,-2.7 5,-1.8 -2,-0.4 3,-1.6 -0.650 24.5-171.8-147.8 88.6 18.8 11.8 20.1 81 60BB P G > 5S+ 0 0 46 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.814 80.4 66.1 -55.2 -35.2 20.6 14.4 17.9 82 60CB P G 3 5S+ 0 0 62 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.825 111.4 37.4 -58.5 -26.2 23.2 12.0 16.3 83 60DB W G < 5S- 0 0 105 -3,-1.6 3,-0.1 2,-0.1 -3,-0.0 0.066 118.5-109.4-108.1 22.7 20.3 10.2 14.6 84 60EB D T < 5 + 0 0 150 -3,-2.2 2,-0.6 1,-0.2 -5,-0.0 0.852 67.0 153.3 52.9 40.4 18.2 13.4 13.9 85 60FB K E < +Q 80 0D 34 -5,-1.8 -5,-2.7 2,-0.0 -1,-0.2 -0.895 5.7 141.2-106.3 115.8 15.7 12.3 16.4 86 60GB N E -Q 79 0D 114 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.489 26.5-173.6-152.9 73.7 13.7 15.2 18.1 87 60HB F - 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