==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACID PROTEINASE) 12-DEC-91 1RNE . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.G.GRUETTER,J.RAHUEL,J.P.PRIESTLE . 329 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 68.7 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 . 102 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 5 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 . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 1 4 4 2 4 2 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 0 2 1 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 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 -1 A N 0 0 150 0, 0.0 2,-0.3 0, 0.0 148,-0.2 0.000 360.0 360.0 360.0-135.7 9.7 32.3 94.0 2 0 A T B +a 149 0A 50 146,-2.0 148,-3.0 2,-0.0 149,-0.4 -0.888 360.0 173.7-121.3 150.6 11.1 32.2 90.4 3 1 A T - 0 0 74 -2,-0.3 2,-0.3 146,-0.2 166,-0.2 -0.984 10.4-175.1-140.4 123.8 9.7 32.3 86.8 4 2 A S E -B 168 0B 23 164,-1.5 164,-3.4 -2,-0.3 2,-0.4 -0.917 12.2-147.9-124.1 147.8 11.9 32.5 83.6 5 3 A S E -B 167 0B 66 -2,-0.3 2,-0.5 162,-0.3 162,-0.2 -0.904 2.8-154.5-116.2 145.0 10.7 32.9 80.1 6 4 A V E -B 166 0B 10 160,-2.5 160,-2.9 -2,-0.4 2,-0.4 -0.999 15.1-140.1-126.8 114.2 12.5 31.4 77.1 7 5 A I E -B 165 0B 111 -2,-0.5 12,-0.4 158,-0.2 2,-0.3 -0.664 21.6-155.7 -76.4 127.4 12.0 33.2 73.9 8 6 A L E -B 164 0B 1 156,-2.2 155,-1.8 -2,-0.4 156,-1.3 -0.762 9.9-135.9-108.0 159.4 11.6 30.8 70.9 9 7 A T E -G 17 0C 67 8,-2.4 8,-1.9 154,-0.3 2,-0.7 -0.921 15.5-142.7-111.2 129.3 12.1 31.2 67.2 10 8 A N E -G 16 0C 37 -2,-0.4 2,-0.7 6,-0.2 6,-0.2 -0.886 13.2-169.5 -97.0 120.8 9.6 29.8 64.8 11 9 A Y E >> S-G 15 0C 83 4,-3.1 3,-2.3 -2,-0.7 4,-1.4 -0.922 72.6 -40.8-110.5 104.5 11.0 28.3 61.7 12 10 A M T 34 S- 0 0 128 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.682 99.7 -73.0 51.6 29.6 8.3 27.6 59.3 13 11 A D T 34 S+ 0 0 32 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.601 129.3 80.0 65.4 11.8 5.8 26.3 61.9 14 12 A T T <4 S+ 0 0 33 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.589 86.6 43.4-125.3 -12.2 7.9 23.3 62.1 15 13 A Q E < -G 11 0C 21 -4,-1.4 -4,-3.1 205,-0.1 2,-0.6 -0.961 55.2-177.5-140.7 117.4 10.8 24.1 64.3 16 14 A Y E +G 10 0C 8 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.954 21.4 167.0-114.4 109.6 10.5 26.0 67.5 17 15 A Y E +G 9 0C 21 -8,-1.9 -8,-2.4 -2,-0.6 2,-0.2 -0.901 17.1 179.6-131.1 156.6 13.8 26.6 69.2 18 16 A G E -H 31 0D 2 13,-2.5 13,-2.9 -2,-0.3 2,-0.4 -0.709 30.5 -90.3-135.6-175.7 15.4 28.6 71.9 19 17 A E E +H 30 0D 105 -12,-0.4 77,-0.5 11,-0.2 2,-0.3 -0.901 28.8 176.0-116.7 144.8 18.9 29.1 73.4 20 18 A I E -H 29 0D 3 9,-2.1 9,-2.2 -2,-0.4 2,-0.4 -0.866 22.3-132.9-132.4 160.9 20.9 27.6 76.2 21 19 A G E -HI 28 94D 10 73,-2.1 73,-2.2 -2,-0.3 2,-0.4 -0.949 19.2-168.0-122.6 135.0 24.4 28.1 77.4 22 20 A I E > -HI 27 93D 0 5,-2.3 5,-1.7 -2,-0.4 71,-0.2 -0.967 45.2 -0.9-126.4 137.2 26.9 25.4 78.2 23 21 A G T 5S- 0 0 4 69,-2.8 42,-0.1 -2,-0.4 68,-0.1 -0.285 93.1 -45.9 85.9 179.0 30.2 25.4 79.8 24 22 A T T 5S+ 0 0 52 1,-0.2 42,-2.2 2,-0.1 43,-0.3 -0.969 135.1 28.8-137.7 114.6 32.2 28.2 81.2 25 23 A P T 5S- 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.607 121.6-104.7 -64.5 154.9 32.4 30.6 79.5 26 24 A P T 5 - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.277 27.4-152.7 -59.9 140.8 29.0 29.7 78.1 27 25 A Q E < -H 22 0D 21 -5,-1.7 -5,-2.3 -4,-0.1 2,-0.4 -0.965 23.5-132.8-111.6 122.4 28.8 28.1 74.5 28 26 A T E +H 21 0D 72 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.723 27.4 175.1 -92.8 131.9 25.4 28.8 73.0 29 27 A F E -H 20 0D 0 -9,-2.2 -9,-2.1 -2,-0.4 2,-0.5 -0.921 27.7-132.4-132.4 151.1 23.2 26.4 71.3 30 28 A K E +H 19 0D 79 -2,-0.3 91,-2.4 -11,-0.2 92,-2.4 -0.870 37.3 174.3-102.0 128.5 19.7 26.5 69.8 31 29 A V E -Hj 18 122D 0 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.3 -0.962 33.1-126.3-138.5 156.3 17.7 23.6 70.9 32 30 A V E - j 0 123D 15 90,-1.6 92,-2.3 -2,-0.3 2,-0.8 -0.734 26.1-134.2 -93.9 145.7 14.2 22.3 70.7 33 31 A F E - j 0 124D 9 -17,-0.5 2,-0.6 -2,-0.3 92,-0.2 -0.945 28.1-164.7-105.0 109.3 12.6 21.6 74.0 34 32 A D E > - j 0 125D 12 90,-1.3 92,-2.8 -2,-0.8 3,-1.3 -0.876 26.0-168.9-103.9 117.6 10.9 18.2 73.6 35 33 A T T 3 S+ 0 0 0 -2,-0.6 156,-0.5 1,-0.2 93,-0.2 0.462 86.4 70.0 -79.2 4.5 8.3 16.8 76.0 36 34 A G T 3 S+ 0 0 21 91,-0.1 2,-0.3 154,-0.1 -1,-0.2 0.485 104.8 28.6 -98.1 -0.4 8.7 13.5 74.2 37 35 A S < - 0 0 15 -3,-1.3 90,-2.1 87,-0.1 95,-0.1 -0.917 59.5-145.9-149.0 176.2 12.2 12.7 75.5 38 36 A S + 0 0 2 93,-0.5 101,-0.3 -2,-0.3 2,-0.2 0.542 60.2 94.4-131.6 1.1 14.5 13.4 78.4 39 37 A N - 0 0 9 92,-0.2 86,-1.7 99,-0.1 2,-0.4 -0.597 57.8-138.6 -94.2 162.6 18.0 13.6 77.3 40 38 A V E +K 124 0D 3 63,-0.3 65,-3.2 84,-0.2 2,-0.3 -0.914 31.1 163.3-110.5 135.9 20.1 16.8 76.5 41 39 A W E +Kl 123 105D 0 82,-2.2 82,-0.8 -2,-0.4 65,-0.2 -0.983 13.9 174.5-153.6 156.3 22.5 16.7 73.6 42 40 A V E - l 0 106D 0 63,-1.5 65,-2.8 -2,-0.3 2,-0.2 -0.941 45.6 -80.4-151.8 163.8 24.4 19.1 71.3 43 41 A P E - l 0 107D 0 0, 0.0 17,-4.0 0, 0.0 2,-0.2 -0.507 46.2-134.9 -79.6 148.2 26.9 18.5 68.7 44 42 A S B > -o 60 0E 0 63,-2.3 3,-1.3 15,-0.3 17,-0.2 -0.592 16.4-128.7 -98.4 157.4 30.4 17.8 69.6 45 43 A S T 3 S+ 0 0 49 15,-2.0 16,-0.1 1,-0.3 -1,-0.1 0.763 109.5 66.4 -66.8 -29.9 33.8 19.0 68.4 46 44 A K T 3 S+ 0 0 90 14,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.202 77.9 114.5 -77.3 10.3 34.8 15.3 68.0 47 45 A a < - 0 0 11 -3,-1.3 2,-0.2 60,-0.1 62,-0.1 -0.727 69.7-121.0 -84.0 130.7 32.1 15.0 65.2 48 46 A S > - 0 0 46 60,-0.7 3,-0.6 -2,-0.4 6,-0.3 -0.542 5.1-136.8 -80.1 141.8 33.6 14.3 61.8 49 47 A R T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.572 103.0 85.8 -63.1 -11.1 33.1 16.6 58.8 50 47AA L T 3 S+ 0 0 163 1,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.121 86.5 62.3 -77.2 18.4 32.6 13.1 57.3 51 47BA Y S X> S- 0 0 81 -3,-0.6 3,-0.6 -4,-0.1 4,-0.5 -0.871 78.3-160.4-148.9 101.1 29.0 14.1 58.7 52 48 A T H >> S+ 0 0 69 -2,-0.3 4,-1.1 1,-0.2 3,-1.0 0.787 86.5 65.4 -59.8 -38.7 27.7 17.2 57.0 53 49 A A H >4 S+ 0 0 0 57,-0.5 3,-0.8 1,-0.3 4,-0.5 0.900 100.2 54.2 -54.0 -42.0 25.2 18.1 59.6 54 50 A a H <4 S+ 0 0 4 -3,-0.6 3,-0.3 56,-0.3 -1,-0.3 0.736 103.9 55.4 -66.4 -22.5 28.2 18.7 61.9 55 51 A V H << S+ 0 0 71 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.773 112.0 42.8 -80.8 -23.2 29.7 21.1 59.4 56 52 A Y S << S+ 0 0 169 -4,-1.1 2,-0.3 -3,-0.8 -2,-0.2 0.312 107.8 64.4-103.5 7.6 26.6 23.2 59.4 57 53 A H S S- 0 0 23 -4,-0.5 2,-0.1 -3,-0.3 64,-0.1 -0.863 90.8 -89.3-129.0 159.4 25.7 23.3 63.1 58 54 A K - 0 0 87 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.409 43.4-147.8 -69.8 135.4 27.4 24.8 66.2 59 55 A L - 0 0 45 -2,-0.1 2,-0.5 -17,-0.1 -15,-0.3 -0.886 9.9-124.2-115.6 134.3 29.8 22.3 67.9 60 56 A F B -o 44 0E 0 -17,-4.0 -15,-2.0 -2,-0.5 2,-0.8 -0.584 17.7-156.5 -78.8 124.9 30.6 22.0 71.5 61 57 A D > - 0 0 51 -2,-0.5 3,-2.2 1,-0.2 4,-0.1 -0.806 7.1-172.6 -99.1 96.3 34.3 22.3 72.5 62 58 A A G > S+ 0 0 17 -2,-0.8 3,-2.6 1,-0.3 6,-0.3 0.937 82.0 63.8 -58.1 -40.8 35.0 20.7 75.8 63 59 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.571 95.6 61.3 -60.4 -5.9 38.4 21.9 76.0 64 60 A D G < S+ 0 0 96 -3,-2.2 2,-0.4 -39,-0.0 -1,-0.3 0.346 90.7 80.5-104.8 13.5 37.2 25.4 76.2 65 61 A S < - 0 0 16 -3,-2.6 3,-0.2 -4,-0.1 -42,-0.1 -0.960 56.2-161.3-123.9 135.9 35.2 25.0 79.3 66 62 A S S S+ 0 0 108 -42,-2.2 -1,-0.1 -2,-0.4 -43,-0.0 0.722 95.2 52.8 -76.7 -29.6 36.6 25.1 82.9 67 63 A S S S+ 0 0 38 -43,-0.3 -1,-0.2 25,-0.1 -44,-0.1 0.548 78.2 122.0 -86.3 -12.3 33.6 23.4 84.3 68 64 A Y - 0 0 58 -6,-0.3 2,-0.4 -3,-0.2 23,-0.2 -0.313 40.0-171.3 -55.4 134.8 33.6 20.4 81.9 69 65 A K E -M 90 0D 114 21,-2.8 21,-1.9 0, 0.0 2,-0.1 -0.986 21.5-127.1-134.9 113.4 33.9 17.1 83.8 70 66 A H E +M 89 0D 111 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.345 40.1 154.9 -64.7 140.1 34.5 14.1 81.6 71 67 A N E - 0 0 68 17,-0.8 18,-0.2 -2,-0.1 -1,-0.2 0.494 18.4-171.5-129.2 -67.5 32.3 11.0 81.7 72 68 A G E + 0 0 30 16,-2.9 17,-0.1 1,-0.3 2,-0.1 0.392 24.3 151.1 85.4 -4.0 32.6 9.3 78.4 73 69 A T E - 0 0 74 15,-0.1 15,-3.3 14,-0.1 -1,-0.3 -0.420 52.5-109.7 -63.1 133.8 30.0 6.6 78.7 74 70 A E E -M 87 0D 115 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.190 36.2-165.3 -62.6 154.0 28.6 5.9 75.1 75 71 A L E -M 86 0D 9 11,-2.6 11,-2.4 31,-0.1 2,-0.4 -0.981 13.4-172.8-148.1 131.6 25.1 7.0 74.3 76 72 A T E -M 85 0D 59 -2,-0.3 2,-0.6 9,-0.2 9,-0.3 -0.994 7.1-167.0-126.6 125.3 22.7 6.1 71.4 77 73 A L E -M 84 0D 7 7,-4.8 7,-2.7 -2,-0.4 2,-0.7 -0.922 1.3-167.9-122.7 108.9 19.5 8.0 71.0 78 74 A R E -M 83 0D 194 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.796 13.1-177.6 -90.4 112.2 16.9 6.6 68.6 79 75 A Y - 0 0 61 3,-3.0 3,-0.4 -2,-0.7 -42,-0.0 -0.561 45.8 -98.8-101.5 175.3 14.1 9.1 67.9 80 76 A S S S+ 0 0 86 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.943 123.3 23.0 -55.9 -41.6 10.9 8.6 65.8 81 77 A T S S+ 0 0 82 1,-0.1 -1,-0.3 -3,-0.0 0, 0.0 -0.924 126.7 8.9-126.1 108.2 12.9 10.4 63.2 82 78 A G - 0 0 19 -2,-0.5 -3,-3.0 -3,-0.4 2,-0.4 0.132 58.0-133.7 101.5 138.1 16.7 10.3 63.5 83 79 A T E -M 78 0D 49 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.992 20.7-170.6-130.3 133.7 19.2 8.5 65.6 84 80 A V E -M 77 0D 0 -7,-2.7 -7,-4.8 -2,-0.4 2,-0.3 -0.965 1.8-172.7-132.0 148.5 22.1 10.2 67.3 85 81 A S E +MN 76 109D 18 24,-1.5 23,-3.2 -2,-0.3 24,-1.7 -0.954 24.3 110.8-138.6 151.4 25.1 8.8 69.1 86 82 A G E -MN 75 107D 7 -11,-2.4 -11,-2.6 -2,-0.3 2,-0.4 -0.942 57.2 -67.1 172.7-154.4 28.0 10.1 71.1 87 83 A F E -MN 74 106D 41 19,-1.8 19,-3.0 -2,-0.3 -13,-0.2 -0.925 43.2-101.5-132.1 155.4 29.2 10.0 74.6 88 84 A L E + N 0 105D 11 -15,-3.3 -16,-2.9 -2,-0.4 -17,-0.8 -0.327 40.2 170.6 -72.8 144.4 28.1 11.4 77.8 89 85 A S E -MN 70 104D 0 15,-2.5 15,-3.8 -18,-0.2 2,-0.4 -0.992 21.9-133.4-153.3 160.1 29.5 14.4 79.5 90 86 A Q E +MN 69 103D 57 -21,-1.9 -21,-2.8 -2,-0.3 2,-0.3 -0.960 36.7 120.5-127.0 138.1 29.0 16.9 82.2 91 87 A D E - N 0 102D 1 11,-2.0 11,-2.7 -2,-0.4 2,-0.4 -0.928 60.9 -69.4-167.8 179.8 29.1 20.7 82.6 92 88 A I E - 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