==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-09 3K1W . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.PRADE . 670 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 10 1.5 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 . 63 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 7 0 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 6 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 PARALLEL BRIDGES PER LADDER . 4 8 7 6 8 3 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 1 3 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 4 A G 0 0 75 0, 0.0 148,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 168.6 19.9 33.8 3.6 2 5 A N + 0 0 139 2,-0.0 2,-0.4 149,-0.0 148,-0.2 -0.259 360.0 130.9-131.0 47.9 17.3 34.5 6.2 3 6 A T B +a 150 0A 54 146,-2.1 148,-2.7 2,-0.0 149,-0.4 -0.821 28.2 177.5-107.6 137.8 14.3 32.5 5.2 4 7 A T - 0 0 81 -2,-0.4 2,-0.4 146,-0.2 168,-0.2 -0.971 12.2-163.0-122.0 147.2 12.0 30.1 7.0 5 8 A S E -B 171 0B 4 166,-2.2 166,-3.8 -2,-0.4 2,-0.4 -0.997 5.0-166.2-125.6 131.5 9.1 28.5 5.2 6 9 A S E -B 170 0B 61 -2,-0.4 2,-0.4 164,-0.2 164,-0.2 -0.934 3.8-164.0-118.3 148.2 6.2 26.9 7.1 7 10 A V E -B 169 0B 14 162,-2.5 162,-2.4 -2,-0.4 2,-0.2 -0.998 19.8-129.0-131.4 126.5 3.5 24.6 5.8 8 11 A I E -B 168 0B 101 -2,-0.4 12,-0.5 160,-0.2 2,-0.3 -0.539 26.7-150.3 -71.7 133.7 0.3 23.9 7.7 9 12 A L E -B 167 0B 2 158,-2.8 158,-1.0 -2,-0.2 157,-0.7 -0.835 6.3-137.1-109.7 152.1 -0.5 20.2 8.0 10 13 A T E -G 18 0C 74 8,-3.0 8,-1.9 -2,-0.3 2,-0.7 -0.868 14.2-142.4-100.9 135.8 -3.7 18.3 8.2 11 14 A N E -G 17 0C 21 -2,-0.4 2,-0.8 6,-0.2 6,-0.2 -0.895 12.6-166.8 -98.3 109.7 -4.1 15.4 10.7 12 15 A Y E >> S-G 16 0C 67 4,-3.1 3,-2.3 -2,-0.7 4,-1.6 -0.878 71.4 -39.5 -95.8 108.6 -6.1 12.5 9.4 13 16 A M T 34 S- 0 0 120 -2,-0.8 -1,-0.1 1,-0.3 149,-0.1 0.702 101.6 -72.1 55.1 29.1 -7.1 10.2 12.2 14 17 A D T 34 S+ 0 0 23 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.580 129.1 78.8 65.1 9.6 -3.7 10.5 14.0 15 18 A T T <4 S+ 0 0 28 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.592 86.6 44.6-123.1 -17.2 -2.1 8.4 11.2 16 19 A Q E < -G 12 0C 29 -4,-1.6 -4,-3.1 207,-0.1 2,-0.5 -0.991 55.1-177.1-135.2 127.2 -1.6 10.7 8.2 17 20 A Y E +G 11 0C 7 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.988 20.5 160.7-126.2 120.1 -0.1 14.2 8.4 18 21 A Y E -G 10 0C 17 -8,-1.9 -8,-3.0 -2,-0.5 2,-0.3 -0.984 17.2-176.2-146.2 152.4 0.0 16.1 5.1 19 22 A G E -H 32 0D 5 13,-2.4 13,-3.0 -2,-0.3 2,-0.3 -0.827 34.0 -80.9-142.6 176.5 0.3 19.6 3.6 20 23 A E E +H 31 0D 117 -12,-0.5 77,-0.4 -2,-0.3 2,-0.3 -0.610 34.9 171.7 -93.2 144.6 0.3 21.2 0.3 21 24 A I E -H 30 0D 3 9,-2.1 9,-2.4 -2,-0.3 2,-0.4 -0.911 22.5-137.8-128.0 164.5 2.9 21.7 -2.4 22 25 A G E -HI 29 95D 2 73,-2.0 73,-2.6 -2,-0.3 2,-0.4 -0.979 15.1-167.8-121.9 137.6 2.6 23.1 -6.0 23 26 A I E > -HI 28 94D 0 5,-2.8 5,-2.6 -2,-0.4 71,-0.2 -0.990 46.7 -1.2-124.7 129.2 4.2 21.6 -9.0 24 27 A G T 5S- 0 0 6 69,-2.7 42,-0.1 -2,-0.4 68,-0.1 -0.212 91.2 -39.5 99.7 178.5 4.5 23.1 -12.5 25 28 A T T 5S+ 0 0 57 1,-0.2 42,-2.4 2,-0.1 43,-0.3 -0.978 135.7 23.4-130.3 113.4 3.4 26.3 -14.2 26 29 A P T 5S- 0 0 91 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.695 120.2-104.3 -69.8 166.2 0.7 27.1 -13.4 27 30 A P T 5 - 0 0 86 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.364 25.8-156.9 -65.9 133.1 1.0 25.2 -10.1 28 31 A Q E < -H 23 0D 35 -5,-2.6 -5,-2.8 -2,-0.1 2,-0.3 -0.953 24.5-138.7 -99.8 122.7 -0.8 21.9 -9.8 29 32 A T E -H 22 0D 68 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.614 22.3-177.5 -95.6 147.6 -1.3 21.3 -6.0 30 33 A F E -H 21 0D 3 -9,-2.4 -9,-2.1 -2,-0.3 2,-0.5 -0.993 27.2-129.1-138.3 138.9 -0.9 18.1 -4.1 31 34 A K E +H 20 0D 66 -2,-0.4 91,-2.4 -11,-0.2 92,-1.8 -0.819 42.2 178.4 -82.0 129.7 -1.4 17.1 -0.6 32 35 A V E -Hj 19 123D 0 -13,-3.0 -13,-2.4 -2,-0.5 2,-0.4 -0.971 33.6-126.0-138.4 147.6 1.8 15.3 0.5 33 36 A V E - j 0 124D 10 90,-1.9 92,-3.2 -2,-0.3 2,-0.8 -0.785 24.8-138.2 -82.4 131.2 3.4 13.6 3.5 34 37 A F E - j 0 125D 4 -2,-0.4 2,-0.6 -17,-0.4 92,-0.2 -0.885 31.3-166.8 -94.2 114.9 6.8 15.0 4.3 35 38 A D E > - j 0 126D 20 90,-2.5 92,-2.7 -2,-0.8 3,-1.2 -0.890 31.1-173.5-121.6 106.2 8.7 11.8 5.1 36 39 A T T 3 S+ 0 0 4 -2,-0.6 158,-0.5 1,-0.3 93,-0.2 0.626 86.1 69.7 -72.0 -9.9 12.1 11.5 6.8 37 40 A G T 3 S+ 0 0 34 91,-0.1 2,-0.3 156,-0.1 -1,-0.3 0.268 103.5 39.1 -92.2 10.7 12.0 7.8 6.1 38 41 A S < - 0 0 34 -3,-1.2 90,-2.7 87,-0.1 89,-0.2 -0.970 61.0-150.0-152.1 171.6 12.4 8.2 2.3 39 42 A S + 0 0 5 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.375 64.3 81.8-128.5 0.4 14.3 10.4 -0.1 40 43 A N - 0 0 7 92,-0.1 86,-1.6 99,-0.1 2,-0.5 -0.770 67.1-128.0-110.2 156.7 12.3 10.8 -3.3 41 44 A V E -K 125 0D 2 63,-0.3 65,-3.2 -2,-0.3 2,-0.4 -0.900 32.7-178.1 -99.5 127.9 9.4 13.0 -4.3 42 45 A W E +Kl 124 106D 24 82,-2.6 82,-2.4 -2,-0.5 65,-0.2 -1.000 12.2 165.3-128.6 134.4 6.5 11.0 -5.7 43 46 A V E - l 0 107D 2 63,-2.3 65,-2.7 -2,-0.4 80,-0.2 -0.948 45.7 -94.5-136.0 154.7 3.1 12.2 -7.2 44 47 A P E - l 0 108D 0 0, 0.0 17,-3.2 0, 0.0 2,-0.3 -0.432 42.1-126.4 -67.1 143.4 0.6 10.2 -9.2 45 48 A S B > -o 61 0E 0 63,-2.9 3,-2.1 15,-0.2 17,-0.2 -0.677 11.4-128.8 -86.6 149.0 1.0 10.6 -13.0 46 49 A S T 3 S+ 0 0 40 15,-2.3 16,-0.1 -2,-0.3 -1,-0.1 0.699 113.9 66.2 -62.2 -16.8 -1.8 11.6 -15.4 47 50 A K T 3 S+ 0 0 111 14,-0.3 2,-0.5 61,-0.1 -1,-0.3 0.454 72.9 112.1 -83.0 -3.0 -0.5 8.5 -17.2 48 51 A a S < S- 0 0 7 -3,-2.1 62,-0.1 60,-0.2 4,-0.1 -0.620 79.8-112.1 -71.8 122.6 -1.6 6.3 -14.3 49 52 A S > - 0 0 36 60,-0.7 3,-1.4 -2,-0.5 6,-0.2 -0.222 13.6-127.6 -53.1 142.7 -4.5 4.1 -15.6 50 53 A R T 3 S+ 0 0 159 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.574 105.0 78.8 -70.0 -6.8 -7.8 4.9 -14.1 51 54 A L T 3 S+ 0 0 15 305,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.142 74.2 87.6 -87.3 15.2 -7.9 1.2 -13.4 52 55 A Y X> - 0 0 7 -3,-1.4 4,-2.6 1,-0.1 3,-1.6 -0.972 63.8-161.8-109.6 114.3 -5.7 1.8 -10.4 53 56 A T H 3> S+ 0 0 20 -2,-0.6 4,-1.0 1,-0.3 -1,-0.1 0.818 91.3 64.6 -64.0 -27.7 -7.7 2.6 -7.3 54 57 A A H 34 S+ 0 0 0 57,-0.4 -1,-0.3 1,-0.2 -4,-0.1 0.671 115.4 30.0 -67.0 -17.9 -4.5 4.1 -5.8 55 58 A a H X4 S+ 0 0 2 -3,-1.6 3,-1.9 -6,-0.2 -2,-0.2 0.737 104.6 73.3-105.2 -35.6 -4.6 6.7 -8.6 56 59 A V H 3< S+ 0 0 66 -4,-2.6 -2,-0.1 1,-0.3 -3,-0.1 0.815 103.2 39.8 -56.2 -35.8 -8.3 7.1 -9.3 57 60 A Y T 3< S+ 0 0 172 -4,-1.0 -1,-0.3 2,-0.1 2,-0.2 0.338 106.8 76.1-100.7 8.8 -9.1 9.1 -6.2 58 61 A H S < S- 0 0 23 -3,-1.9 2,-0.2 -5,-0.1 64,-0.1 -0.706 89.3 -92.5-114.0 166.3 -6.0 11.2 -6.0 59 62 A K - 0 0 114 -2,-0.2 2,-0.4 -28,-0.1 -2,-0.1 -0.539 41.1-145.7 -72.7 145.6 -4.8 14.3 -7.9 60 63 A L - 0 0 63 -2,-0.2 2,-0.5 -17,-0.1 -15,-0.2 -0.949 9.8-126.0-120.4 134.2 -2.6 13.5 -10.9 61 64 A F B -o 45 0E 0 -17,-3.2 -15,-2.3 -2,-0.4 2,-0.7 -0.645 22.4-161.5 -77.3 126.2 0.3 15.5 -12.2 62 65 A D > - 0 0 42 -2,-0.5 3,-1.9 -17,-0.2 4,-0.1 -0.893 10.9-170.8-114.0 105.7 -0.2 16.4 -15.9 63 66 A A G > S+ 0 0 7 -2,-0.7 3,-2.0 1,-0.3 6,-0.3 0.818 84.9 68.2 -62.9 -31.8 3.1 17.4 -17.6 64 67 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 3,-0.0 0.511 98.6 52.1 -68.8 -4.0 1.1 18.5 -20.7 65 68 A D G < S+ 0 0 99 -3,-1.9 2,-0.5 1,-0.1 -1,-0.3 0.350 95.0 85.3-107.7 3.8 -0.3 21.3 -18.6 66 69 A S X - 0 0 14 -3,-2.0 3,-0.7 -4,-0.1 -42,-0.1 -0.920 51.5-169.7-117.0 120.2 3.0 22.7 -17.4 67 70 A S T 3 S+ 0 0 104 -42,-2.4 -1,-0.1 -2,-0.5 -4,-0.0 0.687 90.7 53.7 -75.6 -15.4 5.1 25.1 -19.3 68 71 A S T 3 S+ 0 0 30 -43,-0.3 -1,-0.2 -42,-0.1 -44,-0.1 0.490 81.2 119.7-100.7 -3.5 8.1 24.6 -16.9 69 72 A Y < - 0 0 57 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.297 44.4-162.2 -61.2 140.5 8.3 20.8 -17.2 70 73 A K E -M 91 0D 132 21,-2.5 21,-2.0 -2,-0.0 -2,-0.0 -0.977 19.6-127.4-129.2 120.0 11.4 19.1 -18.5 71 74 A H E +M 90 0D 139 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.186 41.0 151.1 -61.4 145.0 11.2 15.5 -19.6 72 75 A N E - 0 0 60 17,-0.8 18,-0.2 2,-0.1 -1,-0.2 0.351 20.5-171.0-134.5 -67.9 13.5 12.9 -18.3 73 76 A G E + 0 0 29 16,-3.3 17,-0.1 1,-0.3 3,-0.1 0.333 22.9 153.7 92.0 -3.4 11.7 9.5 -18.4 74 77 A T E - 0 0 82 15,-0.1 15,-2.3 14,-0.1 -1,-0.3 -0.342 47.3-119.2 -54.4 129.7 14.1 7.3 -16.5 75 78 A E E -M 88 0D 138 13,-0.2 2,-0.4 31,-0.1 13,-0.3 -0.514 31.6-170.3 -74.2 141.8 12.1 4.5 -15.0 76 79 A L E -M 87 0D 8 11,-2.3 11,-2.3 -2,-0.2 2,-0.4 -0.999 1.8-170.3-137.9 145.3 12.1 4.2 -11.2 77 80 A T E -M 86 0D 21 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.971 15.2-164.1-139.5 139.4 10.8 1.4 -9.1 78 81 A L E -M 85 0D 69 7,-2.8 7,-2.6 -2,-0.4 2,-1.9 -0.988 17.2-146.4-126.1 119.3 10.1 0.7 -5.5 79 82 A R E -M 84 0D 135 -2,-0.4 5,-0.2 5,-0.2 7,-0.0 -0.575 33.4-173.9 -82.5 74.5 9.6 -3.0 -4.4 80 83 A Y E > -M 83 0D 88 -2,-1.9 3,-1.2 3,-0.9 -2,-0.0 -0.251 36.3-102.9 -72.5 160.2 7.1 -2.1 -1.7 81 84 A S T 3 S+ 0 0 114 1,-0.3 3,-0.1 3,-0.0 -1,-0.1 0.837 119.5 36.6 -52.6 -42.8 5.6 -4.7 0.7 82 85 A T T 3 S- 0 0 43 1,-0.3 2,-0.3 32,-0.1 -1,-0.3 0.425 131.5 -51.7 -94.8 -3.1 2.2 -5.1 -1.0 83 86 A G E < S-M 80 0D 15 -3,-1.2 -3,-0.9 29,-0.1 2,-0.3 -0.904 75.0 -44.7 155.2-178.3 3.5 -4.7 -4.6 84 87 A T E -M 79 0D 17 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.620 34.5-162.6 -83.8 134.9 5.5 -2.6 -7.0 85 88 A V E +M 78 0D 9 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.3 -0.987 26.8 165.5-103.6 118.2 5.3 1.2 -7.2 86 89 A S E +MN 77 110D 13 24,-2.2 23,-2.2 -2,-0.5 24,-1.6 -0.964 8.0 130.7-134.2 157.9 6.8 2.3 -10.4 87 90 A G E -MN 76 108D 7 -11,-2.3 -11,-2.3 -2,-0.3 2,-0.3 -0.859 43.9 -86.8-167.3-152.0 6.9 5.4 -12.5 88 91 A F E -MN 75 107D 36 19,-1.8 19,-2.9 -2,-0.3 2,-0.3 -0.947 34.0 -98.7-142.8 158.4 9.3 7.7 -14.3 89 92 A L E + N 0 106D 14 -15,-2.3 -16,-3.3 -2,-0.3 -17,-0.8 -0.554 40.2 166.7 -81.1 137.1 11.5 10.7 -13.7 90 93 A S E -MN 71 105D 0 15,-2.4 15,-3.1 -2,-0.3 2,-0.4 -0.953 23.7-139.3-141.9 157.1 10.4 14.3 -14.5 91 94 A Q E +MN 70 104D 56 -21,-2.0 -21,-2.5 -2,-0.3 2,-0.3 -0.965 34.6 137.3-121.6 136.7 11.7 17.7 -13.6 92 95 A D E - 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