==== 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 COMPLEX(SERINE PROTEINASE/INHIBITOR) 27-JUN-94 1HAH . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,J.VIJAYALAKSHMI . 299 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 63.2 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 27.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 10.0 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 1 1 1 1 0 0 0 0 0 0 0 1 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 . 5 4 2 3 3 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 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 1HL T 0 0 10 0, 0.0 5,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 8.1 19.4 14.0 18.5 2 1GL F B > +A 5 0A 105 3,-3.2 3,-2.7 68,-0.3 155,-0.6 -0.658 360.0 57.4 172.9-130.2 20.2 13.5 22.3 3 1FL G T 3 S- 0 0 20 1,-0.3 -1,-0.3 -2,-0.2 156,-0.2 -0.369 129.6 -4.1 -46.5 136.4 19.6 14.5 25.9 4 1EL S T 3 S- 0 0 39 152,-0.1 2,-0.5 154,-0.1 -1,-0.3 0.696 123.5 -93.3 41.8 32.6 15.8 14.2 26.6 5 1DL G B < S-A 2 0A 0 -3,-2.7 -3,-3.2 151,-0.2 151,-0.2 -0.503 74.5 -28.0 70.1-110.2 15.8 13.3 22.8 6 1CL E - 0 0 48 -2,-0.5 -1,-0.1 -5,-0.2 -3,-0.1 0.741 64.5 -96.3-106.2-105.6 15.1 16.1 20.3 7 1BL A S S+ 0 0 73 -6,-0.0 149,-0.0 0, 0.0 -2,-0.0 0.092 125.0 25.1-156.6 -53.5 13.2 19.4 20.4 8 1AL D S > S+ 0 0 68 147,-0.1 3,-1.8 3,-0.0 148,-0.1 0.249 101.4 146.8 -96.1 -1.8 9.9 18.5 19.0 9 1 L a T 3 + 0 0 1 1,-0.3 146,-0.2 146,-0.1 147,-0.1 0.047 60.8 8.2 -46.9 138.9 10.8 15.0 20.3 10 2 L G T 3 S+ 0 0 0 144,-2.2 241,-1.1 240,-0.2 2,-0.6 0.474 92.9 116.5 70.4 11.1 8.1 12.7 21.5 11 3 L L < - 0 0 35 -3,-1.8 -1,-0.1 143,-0.2 239,-0.1 -0.951 59.4-141.6-113.1 108.8 5.1 15.0 20.4 12 4 L R > > - 0 0 0 -2,-0.6 5,-2.7 1,-0.1 3,-2.2 -0.564 6.3-139.6 -75.5 127.2 3.1 13.1 17.8 13 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.933 103.8 41.1 -57.5 -33.9 1.6 15.1 14.8 14 6 L L T 3 5S+ 0 0 30 136,-0.5 34,-0.1 33,-0.3 32,-0.0 0.412 131.3 17.6 -97.0 0.8 -1.6 13.1 15.0 15 7 L F T X >S+ 0 0 17 -3,-2.2 5,-3.9 32,-0.1 3,-0.6 0.465 130.0 28.7-128.6 -66.2 -2.1 12.9 18.7 16 8 L E G > 5S+ 0 0 29 1,-0.2 3,-1.0 3,-0.2 -2,-0.1 0.893 119.1 56.0 -65.3 -40.2 -0.1 15.3 21.0 17 9 L K G 3 > S+ 0 0 27 2,-0.1 3,-1.1 1,-0.1 4,-0.7 0.381 84.3 103.1-132.3 4.3 -4.8 2.9 25.4 25 14CL E H >> S+ 0 0 4 -3,-0.4 4,-1.7 1,-0.2 3,-0.6 0.743 77.1 67.1 -55.9 -33.3 -2.4 5.7 26.5 26 14DL R H 3> S+ 0 0 157 -4,-0.4 4,-3.5 1,-0.2 -1,-0.2 0.837 92.0 61.2 -43.8 -49.4 -4.8 6.1 29.6 27 14EL E H <> S+ 0 0 31 -3,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.914 106.5 45.5 -54.0 -40.8 -3.7 2.7 30.8 28 14FL L H X< S+ 0 0 0 -4,-0.7 3,-1.1 -3,-0.6 144,-0.4 0.915 113.7 46.5 -67.6 -51.1 -0.1 4.0 31.0 29 14GL L H >< S+ 0 0 28 -4,-1.7 3,-1.6 1,-0.3 5,-0.3 0.935 109.1 56.0 -63.3 -35.1 -0.9 7.3 32.8 30 14HL E H 3X S+ 0 0 74 -4,-3.5 4,-1.0 1,-0.3 -1,-0.3 0.675 103.3 55.6 -73.9 -18.9 -3.1 5.5 35.2 31 14IL S T << S+ 0 0 23 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.454 87.8 72.7 -88.9 -7.9 -0.2 3.2 36.2 32 14JL Y T <4 S- 0 0 15 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.1 -0.181 140.4 -83.6 -93.9 32.7 2.1 6.2 37.2 33 14KL I T 4 S- 0 0 143 -3,-0.2 -2,-0.2 2,-0.0 -3,-0.2 0.952 95.2 -36.3 52.6 67.0 -0.4 6.1 40.0 34 14LL D S < S- 0 0 118 -4,-1.0 -4,-0.2 -5,-0.3 -5,-0.1 0.797 85.6-106.8 45.1 132.1 -2.8 8.3 37.8 35 14ML G 0 0 30 -9,-0.2 212,-0.1 1,-0.1 210,-0.0 0.175 360.0 360.0 -67.1-177.9 -1.3 10.9 35.5 36 15 L R 0 0 222 210,-0.2 211,-0.1 0, 0.0 -1,-0.1 0.504 360.0 360.0 -32.9 360.0 -1.0 14.7 35.2 37 !* 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 38 16 H I > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.8 4.2 -9.1 19.6 39 17 H V B 3 -B 231 0B 10 192,-2.3 192,-1.7 1,-0.2 143,-0.1 -0.757 360.0 -2.9-108.3 121.0 2.1 -11.7 21.5 40 18 H E T 3 S+ 0 0 136 -2,-0.5 -1,-0.2 141,-0.5 189,-0.1 0.835 99.8 126.1 64.5 37.4 -1.4 -10.6 22.7 41 19 H G < - 0 0 26 -3,-0.5 2,-0.3 154,-0.1 154,-0.2 -0.054 51.8-125.0 -98.6-163.1 -1.1 -7.0 21.4 42 20 H S E -C 194 0C 60 152,-2.0 152,-3.0 -2,-0.1 2,-0.2 -0.884 35.7 -76.4-138.8 172.8 -3.5 -5.1 19.1 43 21 H D E -C 193 0C 99 -2,-0.3 150,-0.3 150,-0.3 2,-0.1 -0.532 50.4-121.4 -69.3 138.7 -3.1 -3.3 15.9 44 22 H A - 0 0 7 148,-3.1 2,-0.1 -2,-0.2 148,-0.1 -0.464 25.4-115.5 -74.1 160.9 -1.6 0.1 16.3 45 23 H E > - 0 0 60 1,-0.1 3,-1.5 -2,-0.1 4,-0.2 -0.396 47.9 -78.6 -80.2 166.3 -3.6 3.1 15.2 46 24 H I T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.514 116.5 7.1 -74.7 147.5 -2.2 5.1 12.3 47 25 H G T 3 S+ 0 0 12 -2,-0.2 -33,-0.3 104,-0.1 -1,-0.3 0.590 89.3 128.8 52.5 23.5 0.6 7.5 13.3 48 26 H M S < S+ 0 0 5 -3,-1.5 -2,-0.1 1,-0.3 -26,-0.1 0.755 83.2 19.2 -70.9 -33.7 0.7 6.0 16.9 49 27 H S > + 0 0 14 -4,-0.2 3,-2.2 102,-0.1 -1,-0.3 -0.664 68.3 171.2-136.5 83.2 4.6 5.4 17.0 50 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.0 0, 0.0 51,-0.1 0.393 77.4 61.7 -75.1 -7.4 6.0 7.6 14.2 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.5 103,-0.1 2,-0.2 0.469 74.2 116.8 -91.5 -3.3 9.5 6.7 15.5 52 30 H Q E < -K 68 0D 3 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.499 47.1-170.0 -69.1 121.5 9.1 2.9 14.7 53 31 H V E -KL 67 100D 0 14,-2.3 14,-1.1 -2,-0.2 2,-0.5 -0.929 16.2-136.8-112.6 156.5 11.6 1.9 12.1 54 32 H M E -KL 66 99D 0 45,-2.7 45,-1.8 -2,-0.4 2,-0.7 -0.927 8.6-146.4-112.3 127.5 11.9 -1.4 10.1 55 33 H L E -KL 65 98D 1 10,-3.0 9,-2.9 -2,-0.5 10,-0.9 -0.840 28.3-164.9 -94.7 117.5 15.3 -3.0 9.6 56 34 H F E -KL 63 97D 0 41,-4.1 41,-2.5 -2,-0.7 2,-0.4 -0.911 19.2-134.5-121.5 126.8 15.0 -4.6 6.2 57 35 H R E > -KL 62 96D 73 5,-4.8 5,-0.5 -2,-0.5 39,-0.2 -0.526 9.6-151.9 -74.7 124.4 17.1 -7.2 4.5 58 36 H K T 5S+ 0 0 40 37,-1.4 -1,-0.1 -2,-0.4 38,-0.1 0.973 78.0 40.7 -57.7 -53.2 17.9 -6.3 0.9 59 36AH S T 5S+ 0 0 104 36,-0.4 -1,-0.2 1,-0.2 2,-0.2 -0.884 122.8 23.3-161.5 121.7 18.3 -9.9 -0.3 60 37 H P T 5S- 0 0 74 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.658 106.5-123.9 -54.3 159.3 16.6 -12.1 0.5 61 38 H Q T 5 + 0 0 62 -2,-0.2 2,-0.3 -3,-0.1 233,-0.3 -0.798 55.8 142.6 -85.6 105.6 14.1 -9.3 1.2 62 39 H E E < -K 57 0D 73 -2,-0.9 -5,-4.8 -5,-0.5 2,-0.5 -0.989 58.5-103.8-152.7 150.9 13.2 -9.8 4.9 63 40 H L E +K 56 0D 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.764 33.8 178.2 -70.3 117.4 12.3 -8.1 8.2 64 41 H L E - 0 0 30 -9,-2.9 2,-0.3 -2,-0.5 171,-0.2 0.835 57.1 -47.7 -86.7 -50.7 15.5 -8.3 10.4 65 42 H b E -K 55 0D 6 -10,-0.9 -10,-3.0 171,-0.1 -1,-0.4 -0.951 56.5 -88.9-168.5-178.3 14.3 -6.3 13.5 66 43 H G E +K 54 0D 2 171,-2.5 12,-0.3 -2,-0.3 2,-0.3 -0.301 41.6 173.1 -97.3-177.4 12.5 -3.1 14.7 67 44 H A E -K 53 0D 0 -14,-1.1 -14,-2.3 10,-0.1 2,-0.3 -0.896 20.9-123.2-175.1 177.5 14.5 0.1 15.5 68 45 H S E -KM 52 76D 0 8,-1.6 8,-3.3 -2,-0.3 2,-0.5 -0.985 12.5-123.4-148.0 148.7 13.7 3.7 16.3 69 46 H L E + M 0 75D 0 -18,-1.5 86,-2.0 -2,-0.3 6,-0.2 -0.849 26.2 172.6 -92.8 118.7 14.3 7.2 15.0 70 47 H I E S- 0 0 0 4,-1.9 -68,-0.3 -2,-0.5 2,-0.3 0.409 72.4 -11.0-103.3 -15.1 16.0 9.5 17.6 71 48 H S E > S- M 0 74D 0 3,-1.1 3,-0.7 -70,-0.2 -1,-0.2 -0.945 92.1 -73.9-160.8-167.1 16.7 12.5 15.2 72 49 H D T 3 S+ 0 0 48 -2,-0.3 74,-2.5 1,-0.2 72,-0.1 0.728 129.4 26.2 -74.8 -18.3 16.6 13.1 11.4 73 50 H R T 3 S+ 0 0 35 72,-0.2 69,-2.9 70,-0.0 2,-0.4 0.264 107.9 79.2-113.0 -4.6 19.8 11.1 10.7 74 51 H W E < -MN 71 141D 0 -3,-0.7 -4,-1.9 67,-0.2 -3,-1.1 -0.984 46.8-172.5-123.5 138.0 20.1 8.5 13.6 75 52 H V E -MN 69 140D 0 65,-2.8 65,-2.4 -2,-0.4 2,-0.4 -0.980 12.4-148.6-121.4 143.1 18.4 5.3 14.3 76 53 H L E +MN 68 139D 0 -8,-3.3 -8,-1.6 -2,-0.4 2,-0.2 -0.863 29.2 149.3-113.8 132.1 18.7 3.2 17.5 77 54 H T E - N 0 138D 0 61,-2.7 61,-1.6 -2,-0.4 2,-0.4 -0.799 49.9 -79.4-144.5-178.7 18.6 -0.6 17.6 78 55 H A >> - 0 0 0 -12,-0.3 3,-2.0 59,-0.3 4,-0.5 -0.799 34.5-132.6 -82.4 129.1 19.9 -3.7 19.5 79 56 H A H >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-1.8 0.859 103.1 67.1 -54.6 -34.3 23.5 -4.8 18.6 80 57 H H H 34 S+ 0 0 21 1,-0.3 -1,-0.3 2,-0.2 157,-0.0 0.528 87.0 66.8 -72.2 -3.0 22.4 -8.4 18.2 81 58 H b H <4 S+ 0 0 2 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.692 116.8 26.4 -78.3 -28.0 20.3 -7.5 15.1 82 59 H L H << S+ 0 0 1 -3,-1.8 9,-2.5 -4,-0.5 2,-0.5 0.826 128.3 33.8-100.8 -41.6 23.6 -6.7 13.3 83 60 H L E < +Q 90 0E 39 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.980 53.9 139.9-131.1 119.1 26.2 -8.9 15.0 84 60AH Y E > > -Q 89 0E 47 5,-3.5 5,-2.1 -2,-0.5 3,-1.9 -0.442 22.0-173.2-157.2 80.2 25.7 -12.3 16.5 85 60BH P G > 5S+ 0 0 50 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.751 77.6 67.5 -50.3 -36.8 28.7 -14.7 15.8 86 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.517 112.1 36.5 -63.6 -6.8 27.2 -17.9 17.2 87 60DH W G < 5S- 0 0 178 -3,-1.9 3,-0.1 2,-0.1 0, 0.0 0.138 117.5-110.5-129.2 22.2 24.7 -17.8 14.3 88 60EH D T < 5 + 0 0 155 -3,-2.9 2,-0.7 1,-0.2 -5,-0.0 0.735 65.3 155.7 52.8 29.6 27.2 -16.4 11.8 89 60FH K E < +Q 84 0E 48 -5,-2.1 -5,-3.5 1,-0.1 -1,-0.2 -0.856 3.5 145.2 -93.4 120.8 25.2 -13.1 11.9 90 60GH N E -Q 83 0E 112 -2,-0.7 -7,-0.2 -7,-0.2 -8,-0.1 -0.430 25.7-169.0-148.1 73.7 27.3 -10.1 10.8 91 60HH F - 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