==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-07 2V13 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.RAHUEL,V.RASETTI,J.MAIBAUM,H.RUEGER,R.GOSCHKE,N.C.COHEN, . 329 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 4 1.2 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 . 2 0.6 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 . 51 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 4 0 0 1 0 0 0 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 3 5 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 0 2 0 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 5 A N 0 0 153 0, 0.0 2,-0.3 0, 0.0 149,-0.2 0.000 360.0 360.0 360.0 97.2 85.2 36.5 -62.4 2 6 A T B -a 149 0A 75 146,-0.9 148,-1.9 149,-0.1 2,-0.4 -0.960 360.0-136.0-144.2 164.6 85.1 37.7 -59.1 3 7 A T + 0 0 80 -2,-0.3 2,-0.2 146,-0.2 166,-0.2 -1.000 23.7 175.1-142.3 114.9 86.3 37.1 -55.6 4 8 A S E -B 168 0B 20 164,-0.8 164,-2.2 -2,-0.4 2,-0.3 -0.651 11.2-158.5-110.6-174.7 84.0 37.3 -52.7 5 9 A S E -B 167 0B 51 162,-0.3 2,-0.5 -2,-0.2 162,-0.2 -0.988 16.0-132.6-170.5 148.5 84.8 36.4 -49.1 6 10 A V E -B 166 0B 8 160,-2.3 160,-2.0 -2,-0.3 2,-0.3 -0.886 18.0-143.2-107.6 124.8 83.3 35.5 -45.9 7 11 A I E -B 165 0B 96 -2,-0.5 12,-0.4 158,-0.2 2,-0.3 -0.706 27.1-154.5 -78.5 144.5 84.4 37.3 -42.7 8 12 A L E -B 164 0B 4 156,-2.8 155,-1.8 -2,-0.3 156,-1.2 -0.887 9.8-130.6-122.1 158.0 84.5 34.7 -40.0 9 13 A T E -G 17 0C 67 8,-2.3 8,-1.1 -2,-0.3 2,-0.5 -0.709 17.7-144.3-100.2 153.4 84.1 35.0 -36.2 10 14 A N E -G 16 0C 35 -2,-0.3 2,-0.9 6,-0.2 6,-0.2 -0.943 9.3-164.6-119.4 117.2 86.7 33.3 -33.9 11 15 A Y E >> S-G 15 0C 84 4,-3.6 3,-2.2 -2,-0.5 4,-0.9 -0.869 72.1 -41.8-112.7 110.1 85.4 31.9 -30.6 12 16 A M T 34 S- 0 0 138 -2,-0.9 -1,-0.2 1,-0.3 4,-0.1 0.764 97.1 -76.8 56.2 33.5 88.2 31.1 -28.4 13 17 A D T 34 S+ 0 0 37 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.456 125.5 83.8 59.4 2.4 90.4 29.7 -31.0 14 18 A T T <4 S+ 0 0 26 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.464 90.4 35.4-113.1 7.0 88.4 26.5 -30.9 15 19 A Q E < -G 11 0C 32 -4,-0.9 -4,-3.6 205,-0.1 2,-0.4 -0.897 56.4-178.9-164.5 114.9 85.5 27.4 -33.2 16 20 A Y E +G 10 0C 11 -2,-0.3 17,-0.4 -6,-0.2 2,-0.3 -0.991 19.5 151.4-125.1 134.1 85.3 29.5 -36.4 17 21 A Y E -G 9 0C 21 -8,-1.1 -8,-2.3 -2,-0.4 15,-0.2 -0.924 19.8-161.2-156.3 172.3 82.1 30.1 -38.2 18 22 A G E -H 31 0D 1 13,-2.4 13,-1.1 -2,-0.3 2,-0.4 -0.482 26.8 -78.6-148.1-159.3 80.4 32.6 -40.4 19 23 A E E +H 30 0D 93 -12,-0.4 77,-0.5 11,-0.2 2,-0.3 -0.941 33.3 169.3-119.6 141.8 77.0 33.7 -41.8 20 24 A I E -H 29 0D 6 9,-2.0 9,-1.2 -2,-0.4 2,-0.4 -0.877 26.0-134.2-129.1 172.0 74.7 32.5 -44.6 21 25 A G E -HI 28 94D 11 73,-1.0 73,-0.7 -2,-0.3 2,-0.6 -0.876 14.7-165.7-127.2 106.7 71.1 33.4 -45.5 22 26 A I E > -HI 27 93D 0 5,-2.5 5,-2.0 -2,-0.4 71,-0.2 -0.759 53.4 -1.3 -89.3 119.0 68.7 30.6 -46.2 23 27 A G T 5S- 0 0 3 69,-2.4 42,-0.1 -2,-0.6 71,-0.1 0.023 88.7 -46.3 108.1 165.2 65.5 31.8 -47.9 24 28 A T T 5S+ 0 0 53 2,-0.1 42,-0.9 3,-0.0 43,-0.3 -0.956 130.0 28.7-118.2 110.9 63.5 34.7 -49.2 25 29 A P T 5S- 0 0 89 0, 0.0 42,-0.0 0, 0.0 -3,-0.0 0.610 123.7 -97.5 -73.1 157.8 63.6 37.0 -47.2 26 30 A P T 5 - 0 0 102 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.318 31.7-161.9 -44.8 124.4 67.0 35.9 -45.8 27 31 A Q E < -H 22 0D 18 -5,-2.0 -5,-2.5 -4,-0.0 33,-0.0 -0.990 25.1-146.6-102.7 109.6 66.8 33.7 -42.6 28 32 A T E +H 21 0D 60 -2,-0.6 2,-0.3 -7,-0.3 -7,-0.2 -0.320 22.3 175.8 -72.5 168.4 70.5 34.1 -41.3 29 33 A F E -H 20 0D 2 -9,-1.2 -9,-2.0 -11,-0.1 2,-0.4 -0.934 31.2-121.8-167.9 146.7 72.4 31.3 -39.5 30 34 A K E +H 19 0D 88 -2,-0.3 91,-2.3 -11,-0.2 92,-1.6 -0.817 43.0 173.0 -90.6 139.0 75.9 31.0 -38.2 31 35 A V E -Hj 18 122D 1 -13,-1.1 -13,-2.4 -2,-0.4 2,-0.4 -0.922 33.2-116.8-145.2 168.0 77.6 27.9 -39.8 32 36 A V E - j 0 123D 16 90,-0.7 92,-2.7 -2,-0.3 2,-1.3 -0.887 21.1-138.2-107.3 137.2 81.0 26.2 -40.0 33 37 A F E - j 0 124D 4 -2,-0.4 2,-0.6 -17,-0.4 92,-0.2 -0.763 32.0-167.3 -96.5 102.4 82.6 26.0 -43.4 34 38 A D E > - j 0 125D 17 90,-2.1 92,-1.9 -2,-1.3 3,-1.1 -0.769 25.6-167.4 -95.7 115.8 83.8 22.4 -43.1 35 39 A T T 3 S+ 0 0 0 -2,-0.6 156,-0.6 1,-0.3 93,-0.2 0.331 84.8 63.0 -82.5 16.6 86.3 20.9 -45.6 36 40 A G T 3 S+ 0 0 26 91,-0.1 2,-0.3 154,-0.1 -1,-0.3 0.282 103.3 35.1-123.1 10.2 85.7 17.4 -44.4 37 41 A S < - 0 0 13 -3,-1.1 90,-1.4 87,-0.1 89,-0.9 -0.933 64.6-139.9-146.7 170.2 82.0 16.8 -45.2 38 42 A S + 0 0 3 93,-0.8 2,-0.3 -2,-0.3 98,-0.2 0.042 60.1 91.4-134.1 42.9 79.8 17.8 -47.9 39 43 A N - 0 0 13 93,-0.1 86,-1.7 99,-0.1 2,-0.4 -0.885 57.5-138.7-123.7 159.6 76.3 18.7 -46.8 40 44 A V E +K 124 0D 5 63,-0.3 65,-2.4 -2,-0.3 2,-0.3 -0.888 34.1 172.5 -99.3 145.9 74.7 22.1 -45.8 41 45 A W E +Kl 123 105D 1 82,-2.4 82,-1.5 -2,-0.4 65,-0.2 -0.962 17.6 179.0-156.9 143.9 72.5 21.7 -42.7 42 46 A V E - l 0 106D 0 63,-1.9 65,-1.8 -2,-0.3 80,-0.2 -0.995 39.6-100.1-139.5 137.8 70.6 24.0 -40.5 43 47 A P E - l 0 107D 0 0, 0.0 17,-2.8 0, 0.0 2,-0.3 -0.200 43.9-125.6 -57.3 151.5 68.4 23.0 -37.5 44 48 A S B > -o 60 0E 1 63,-1.6 3,-1.5 15,-0.2 17,-0.2 -0.744 15.7-127.9-104.2 159.5 64.7 23.0 -38.2 45 49 A S T 3 S+ 0 0 56 15,-2.6 16,-0.1 -2,-0.3 -1,-0.1 0.827 113.5 64.5 -60.8 -36.5 61.7 24.5 -36.6 46 50 A K T 3 S+ 0 0 63 14,-0.2 2,-0.7 61,-0.1 -1,-0.3 0.577 73.5 119.5 -66.7 0.3 60.4 20.9 -36.6 47 51 A a S < S- 0 0 10 -3,-1.5 61,-0.1 60,-0.2 62,-0.1 -0.475 72.9-118.9 -78.1 110.5 63.2 19.9 -34.2 48 52 A S > - 0 0 73 -2,-0.7 3,-2.8 1,-0.1 7,-0.2 -0.259 14.4-117.1 -57.5 128.3 61.4 18.8 -31.2 49 53 A R T 3 S+ 0 0 75 1,-0.3 6,-0.4 5,-0.1 -1,-0.1 0.733 105.6 79.8 -23.2 -45.8 61.9 20.7 -28.0 50 54 A L T 3 S+ 0 0 150 1,-0.2 2,-1.6 4,-0.1 -1,-0.3 0.676 73.9 87.6 -50.3 -14.3 63.5 17.5 -26.4 51 55 A Y <> - 0 0 74 -3,-2.8 4,-1.7 1,-0.2 5,-0.3 -0.697 66.0-165.8 -98.6 93.8 66.7 18.4 -28.3 52 56 A T H > S+ 0 0 80 -2,-1.6 4,-1.8 1,-0.3 -1,-0.2 0.888 89.9 57.7 -42.1 -45.2 68.2 20.7 -25.8 53 57 A A H >4 S+ 0 0 0 57,-0.3 3,-0.5 -3,-0.2 -1,-0.3 0.922 105.5 45.4 -44.5 -67.1 70.3 21.6 -28.8 54 58 A a H >4 S+ 0 0 0 56,-0.3 3,-2.7 1,-0.3 -2,-0.2 0.935 108.9 54.3 -54.4 -55.4 67.5 22.6 -31.2 55 59 A V H 3< S+ 0 0 74 -4,-1.7 -1,-0.3 -6,-0.4 -2,-0.2 0.811 109.7 49.5 -51.1 -36.5 65.6 24.8 -28.6 56 60 A Y T << S+ 0 0 169 -4,-1.8 2,-0.4 -3,-0.5 -1,-0.3 0.183 103.3 72.8 -92.7 24.2 68.8 26.8 -27.9 57 61 A H S < S- 0 0 26 -3,-2.7 64,-0.1 -4,-0.1 62,-0.0 -0.967 88.5-100.5-131.1 154.7 69.7 27.6 -31.6 58 62 A K - 0 0 94 -2,-0.4 2,-0.3 1,-0.0 -28,-0.1 -0.480 53.3-169.7 -58.5 142.0 68.5 29.8 -34.4 59 63 A L - 0 0 60 -17,-0.1 -15,-0.2 -4,-0.1 2,-0.1 -0.989 21.5-106.8-146.8 148.0 66.5 27.4 -36.6 60 64 A F B -o 44 0E 0 -17,-2.8 -15,-2.6 -2,-0.3 2,-0.3 -0.487 24.3-176.6 -74.2 140.8 64.8 27.4 -40.1 61 65 A D > - 0 0 47 -17,-0.2 3,-2.7 -16,-0.1 -17,-0.0 -0.753 10.3-163.5-140.2 100.2 60.9 27.5 -40.7 62 66 A A G > S+ 0 0 15 1,-0.3 3,-1.0 -2,-0.3 6,-0.2 0.727 78.3 86.2 -47.2 -39.3 60.0 27.2 -44.3 63 67 A S G 3 S+ 0 0 92 1,-0.3 2,-1.3 -3,-0.1 -1,-0.3 0.822 87.8 55.1 -26.7 -51.4 56.7 28.5 -43.5 64 68 A D G < S+ 0 0 92 -3,-2.7 -1,-0.3 1,-0.1 2,-0.2 -0.288 92.2 82.9 -91.2 54.4 58.2 31.9 -43.9 65 69 A S X - 0 0 14 -2,-1.3 3,-2.5 -3,-1.0 -1,-0.1 -0.548 53.6-156.8-159.1 114.6 59.8 31.8 -47.4 66 70 A S T 3 S+ 0 0 109 -42,-0.9 -1,-0.1 1,-0.3 -2,-0.0 0.831 96.3 47.3 -37.6 -50.3 58.5 32.3 -51.0 67 71 A S T 3 S+ 0 0 47 -43,-0.3 2,-1.3 1,-0.0 -1,-0.3 0.458 75.2 117.7 -85.3 1.0 61.2 30.3 -52.7 68 72 A Y < + 0 0 59 -3,-2.5 23,-0.2 -6,-0.2 2,-0.2 -0.511 32.8 168.1 -65.9 95.0 61.2 27.2 -50.5 69 73 A K - 0 0 140 -2,-1.3 21,-1.2 21,-0.3 2,-0.3 -0.448 25.7-151.5 -83.4-174.5 60.3 24.5 -52.9 70 74 A H E -M 89 0D 106 19,-0.2 2,-0.3 -2,-0.2 19,-0.2 -0.956 36.2-170.8-165.8 161.4 60.9 21.1 -51.2 71 75 A N E - 0 0 69 17,-0.7 19,-0.1 -2,-0.3 16,-0.0 -0.677 23.0-145.6-133.7 160.6 61.7 17.4 -51.2 72 76 A G E + 0 0 56 -2,-0.3 17,-0.1 15,-0.1 2,-0.1 0.100 35.5 152.2-129.1 25.7 61.4 15.3 -48.0 73 77 A T E - 0 0 69 15,-0.3 15,-0.6 14,-0.1 2,-0.3 -0.364 42.8-130.1 -61.9 131.6 64.2 12.7 -48.1 74 78 A E E +M 87 0D 81 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.621 32.1 179.0 -75.2 132.6 65.4 11.5 -44.7 75 79 A L E -M 86 0D 10 11,-3.3 11,-1.8 -2,-0.3 2,-0.4 -0.969 15.6-151.6-127.6 153.7 69.1 11.7 -44.7 76 80 A T E -M 85 0D 57 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.994 7.8-154.4-128.1 128.6 71.4 10.8 -41.7 77 81 A L E -M 84 0D 4 7,-3.3 7,-1.8 -2,-0.4 2,-1.2 -0.897 5.4-166.8-116.8 119.8 74.8 12.4 -41.1 78 82 A R E -M 83 0D 185 -2,-0.6 5,-0.2 5,-0.2 7,-0.0 -0.633 10.5-176.9-103.5 77.6 77.4 10.7 -39.3 79 83 A Y E > -M 82 0D 40 -2,-1.2 3,-1.7 3,-0.8 -42,-0.1 -0.432 43.5-108.9 -68.5 152.3 80.0 13.1 -38.5 80 84 A S T 3 S+ 0 0 61 1,-0.2 -1,-0.2 216,-0.1 214,-0.2 0.498 120.7 46.8 -49.3 -14.3 83.1 11.7 -36.7 81 85 A T T 3 S- 0 0 77 1,-0.3 2,-0.3 212,-0.1 -1,-0.2 0.430 127.9 -36.4-113.2 0.4 81.7 13.6 -33.6 82 86 A G E < -M 79 0D 20 -3,-1.7 -3,-0.8 32,-0.1 2,-0.4 -0.983 60.7 -96.4 170.8-173.4 78.0 12.7 -33.6 83 87 A T E -M 78 0D 34 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.900 28.0-175.4-124.9 157.8 75.1 12.1 -35.8 84 88 A V E -M 77 0D 0 -7,-1.8 -7,-3.3 -2,-0.4 2,-0.4 -0.950 8.1-167.2-143.8 163.4 72.5 14.4 -36.8 85 89 A S E +MN 76 109D 14 24,-2.1 23,-3.1 -2,-0.3 24,-1.8 -0.986 21.9 124.4-162.7 139.1 69.4 13.6 -38.9 86 90 A G E -MN 75 107D 9 -11,-1.8 -11,-3.3 -2,-0.4 21,-0.2 -0.926 50.4 -91.3-173.9-175.6 66.8 15.3 -40.7 87 91 A F E -MN 74 106D 57 19,-1.0 19,-2.7 -2,-0.3 2,-0.4 -0.342 44.6-106.6-101.0-173.9 65.2 15.5 -44.1 88 92 A L E - 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