==== 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 2V10 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.RAHUEL,V.RASETTI,J.MAIBAUM,H.RUEGER,R.GOSCHKE,N.C.COHEN, . 664 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 30.7 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 . 9 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 91 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 7 0 1 1 0 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 . 4 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 8 9 3 0 1 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 . 2 1 2 0 3 0 2 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 4 C G 0 0 83 0, 0.0 149,-0.2 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0-146.3 18.2 35.0 42.2 2 5 C N + 0 0 124 147,-0.7 2,-0.4 146,-0.1 148,-0.2 -0.248 360.0 104.2-163.2 75.8 21.5 34.8 44.0 3 6 C T B -a 150 0A 50 146,-0.8 148,-1.9 170,-0.1 2,-0.4 -0.977 38.1-168.7-144.3 148.5 22.4 37.2 46.5 4 7 C T - 0 0 66 -2,-0.4 2,-0.3 146,-0.2 169,-0.2 -0.985 11.2-173.1-140.2 145.3 22.4 36.6 50.0 5 8 C S E -B 172 0B 13 167,-3.8 167,-4.7 -2,-0.4 2,-0.4 -0.992 12.6-171.7-146.4 158.1 22.8 39.3 52.7 6 9 C S E -B 171 0B 48 -2,-0.3 2,-0.3 165,-0.3 165,-0.2 -0.985 14.6-150.0-141.2 141.0 23.2 40.0 56.3 7 10 C V E -B 170 0B 10 163,-0.7 163,-1.8 -2,-0.4 2,-0.4 -0.749 24.3-133.7-100.1 167.7 23.2 42.8 58.4 8 11 C I E -B 169 0B 95 -2,-0.3 12,-0.4 161,-0.2 2,-0.3 -0.924 25.1-152.3-109.9 133.3 25.4 42.5 61.6 9 12 C L E -B 168 0B 3 159,-0.6 158,-0.8 -2,-0.4 159,-0.6 -0.831 10.7-130.6-115.3 159.8 23.7 43.6 64.9 10 13 C T E -G 18 0C 73 8,-3.5 8,-1.4 -2,-0.3 2,-0.5 -0.818 19.6-141.0-101.7 136.0 24.9 44.9 68.1 11 14 C N E -G 17 0C 19 -2,-0.5 2,-0.6 6,-0.2 6,-0.2 -0.854 14.2-168.2 -98.5 130.4 23.7 43.4 71.3 12 15 C Y E >> S-G 16 0C 88 4,-1.7 3,-3.8 -2,-0.5 4,-2.7 -0.956 70.6 -38.1-121.9 107.3 22.9 45.7 74.2 13 16 C M T 34 S- 0 0 109 -2,-0.6 -1,-0.1 1,-0.4 4,-0.1 0.717 98.5 -80.4 51.5 27.2 22.4 44.1 77.4 14 17 C D T 34 S+ 0 0 17 2,-0.2 -1,-0.4 1,-0.1 3,-0.1 0.609 127.4 86.5 61.1 10.2 20.7 41.4 75.8 15 18 C T T <4 S+ 0 0 26 -3,-3.8 2,-0.4 1,-0.3 -2,-0.2 0.771 87.0 36.2-115.0 -18.8 17.8 43.6 75.8 16 19 C Q E < -G 12 0C 30 -4,-2.7 -4,-1.7 208,-0.0 2,-0.5 -0.939 58.7-176.3-140.1 115.4 18.3 45.7 72.7 17 20 C Y E +G 11 0C 7 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.934 16.3 168.5-111.6 106.3 19.7 44.3 69.3 18 21 C Y E -G 10 0C 19 -8,-1.4 -8,-3.5 -2,-0.5 15,-0.3 -0.793 15.4-172.4-121.7 159.4 20.2 46.9 66.5 19 22 C G E -H 32 0D 1 13,-3.6 13,-4.3 -2,-0.3 2,-0.4 -0.722 28.8-100.1-131.7-172.8 21.9 47.0 63.1 20 23 C E E +H 31 0D 98 -12,-0.4 77,-0.5 11,-0.3 2,-0.3 -0.948 29.4 174.7-127.1 137.8 22.5 49.8 60.7 21 24 C I E -HI 30 96D 4 9,-2.0 9,-2.0 -2,-0.4 2,-0.4 -0.817 23.6-132.1-125.5 166.0 20.9 51.1 57.5 22 25 C G E -HI 29 95D 7 73,-1.2 73,-1.0 -2,-0.3 2,-0.4 -0.964 16.0-167.9-129.0 112.3 21.6 54.1 55.4 23 26 C I E > +HI 28 94D 0 5,-1.2 5,-1.4 -2,-0.4 71,-0.2 -0.788 50.9 17.8 -94.9 135.3 18.8 56.5 54.1 24 27 C G T 5S- 0 0 2 69,-2.3 68,-0.1 -2,-0.4 42,-0.1 0.317 88.4 -68.4 88.1 143.8 19.5 59.0 51.5 25 28 C T T 5S+ 0 0 59 2,-0.1 42,-1.4 1,-0.1 43,-0.2 -0.814 130.7 33.2-106.1 98.2 22.0 59.9 49.0 26 29 C P T 5S- 0 0 77 0, 0.0 42,-0.1 0, 0.0 39,-0.1 0.370 120.0-110.7 -57.9 140.0 24.6 60.7 50.7 27 30 C P T 5 - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.291 25.0-154.5 -58.2 144.0 23.7 58.2 53.3 28 31 C Q E < -H 23 0D 20 -5,-1.4 -5,-1.2 2,-0.0 2,-0.7 -0.930 25.6-135.0-112.8 127.3 22.5 59.3 56.7 29 32 C T E +H 22 0D 72 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.813 28.8 173.1-106.1 124.2 23.3 56.5 59.0 30 33 C F E -H 21 0D 0 -9,-2.0 -9,-2.0 -2,-0.7 2,-0.3 -0.914 26.7-130.1-124.6 154.0 20.9 55.3 61.5 31 34 C K E +H 20 0D 67 -2,-0.4 92,-1.6 -11,-0.2 91,-1.5 -0.703 34.9 179.6 -89.5 133.1 20.8 52.4 63.9 32 35 C V E -Hj 19 123D 0 -13,-4.3 -13,-3.6 -2,-0.3 2,-0.4 -0.968 33.7-126.0-147.4 161.0 17.8 50.3 64.0 33 36 C V E - j 0 124D 11 90,-1.4 92,-2.3 -2,-0.3 2,-1.1 -0.802 28.7-138.0 -92.8 131.4 15.9 47.2 65.5 34 37 C F E - j 0 125D 5 -17,-0.5 2,-0.6 -2,-0.4 92,-0.2 -0.861 32.1-169.9 -98.2 103.2 14.8 44.8 62.8 35 38 C D E > - j 0 126D 14 90,-1.6 92,-2.7 -2,-1.1 3,-1.1 -0.843 31.5-173.3 -96.7 114.4 11.4 44.0 64.1 36 39 C T T 3 S+ 0 0 0 -2,-0.6 159,-0.4 1,-0.2 93,-0.1 0.390 81.1 78.9 -84.7 12.3 9.1 41.3 62.8 37 40 C G T 3 S+ 0 0 18 91,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.676 100.8 26.1 -89.8 -9.0 6.4 42.7 65.1 38 41 C S < - 0 0 15 -3,-1.1 90,-2.5 87,-0.2 95,-0.1 -0.903 62.3-137.4-143.6 173.0 5.6 45.5 62.8 39 42 C S + 0 0 1 93,-0.7 2,-0.3 -2,-0.3 94,-0.2 0.456 65.2 81.7-123.5 18.5 5.6 46.6 59.3 40 43 C N - 0 0 9 92,-0.1 86,-1.0 99,-0.1 2,-0.4 -0.853 59.1-134.8-117.3 155.6 6.7 50.2 58.9 41 44 C V E +K 125 0D 2 63,-0.4 65,-2.4 -2,-0.3 2,-0.3 -0.872 31.6 161.9-104.5 136.4 10.1 51.9 58.7 42 45 C W E +Kl 124 106D 3 82,-1.8 82,-1.4 -2,-0.4 65,-0.2 -0.992 13.0 176.7-148.6 151.9 10.7 55.2 60.7 43 46 C V E - l 0 107D 1 63,-2.4 65,-1.7 -2,-0.3 80,-0.1 -0.922 44.0 -83.3-146.3 159.8 13.7 57.2 61.8 44 47 C P E - l 0 108D 0 0, 0.0 17,-2.6 0, 0.0 2,-0.4 -0.282 44.7-126.6 -73.7 154.4 13.7 60.5 63.7 45 48 C S B > -o 61 0E 0 63,-2.3 3,-1.8 15,-0.3 17,-0.2 -0.832 15.7-138.1-109.4 148.9 13.4 63.8 61.9 46 49 C S T 3 S+ 0 0 46 15,-1.8 -1,-0.2 -2,-0.4 16,-0.1 0.836 109.1 64.9 -61.0 -38.3 15.2 66.7 61.8 47 50 C K T 3 S+ 0 0 142 14,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.716 78.6 110.5 -62.4 -15.9 11.9 68.4 61.9 48 51 C a S < S- 0 0 7 -3,-1.8 2,-0.3 60,-0.3 62,-0.1 -0.390 76.9-115.5 -63.5 134.9 11.3 66.9 65.3 49 52 C S > - 0 0 36 60,-0.6 3,-1.5 1,-0.1 6,-0.3 -0.516 12.4-140.2 -70.0 132.0 11.3 69.5 68.1 50 53 C R T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.120 92.0 89.9 -84.0 30.2 14.1 69.0 70.5 51 54 C L T 3 S+ 0 0 151 -2,-0.3 2,-0.8 1,-0.1 -1,-0.3 0.439 76.9 76.8 -97.0 -15.6 11.8 69.9 73.2 52 55 C Y S X> S- 0 0 80 -3,-1.5 3,-1.6 1,-0.1 4,-0.9 -0.891 83.4-150.7 -92.4 105.6 11.4 66.1 73.0 53 56 C T H >> S+ 0 0 69 -2,-0.8 3,-0.7 1,-0.3 4,-0.6 0.834 89.7 66.5 -56.7 -27.6 14.5 65.0 74.7 54 57 C A H >4 S+ 0 0 0 57,-0.5 3,-0.9 1,-0.3 4,-0.4 0.856 97.2 55.3 -58.0 -37.4 14.7 61.9 72.7 55 58 C a H <4 S+ 0 0 3 -3,-1.6 3,-0.5 -6,-0.3 -1,-0.3 0.775 101.1 57.2 -71.9 -23.6 15.4 63.9 69.6 56 59 C V H << S+ 0 0 75 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.699 111.1 45.3 -80.1 -11.0 18.3 65.6 71.1 57 60 C Y S << S+ 0 0 173 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 0.368 105.5 60.5-109.3 3.3 19.7 62.3 71.7 58 61 C H S S- 0 0 20 -3,-0.5 2,-0.1 -4,-0.4 63,-0.1 -0.947 87.5 -98.9-130.7 150.9 19.2 60.4 68.5 59 62 C K - 0 0 91 -2,-0.3 2,-0.3 -30,-0.1 -2,-0.1 -0.394 43.2-148.2 -63.9 147.8 20.4 61.1 64.9 60 63 C L - 0 0 51 -17,-0.1 2,-0.8 -4,-0.1 -15,-0.3 -0.800 11.9-112.4-123.7 156.9 17.9 62.8 62.7 61 64 C F B -o 45 0E 0 -17,-2.6 -15,-1.8 -2,-0.3 2,-0.8 -0.773 24.4-172.2 -93.5 112.9 17.0 62.8 59.2 62 65 C D > - 0 0 54 -2,-0.8 3,-0.7 -17,-0.2 -17,-0.0 -0.877 1.0-175.2 -99.6 112.9 17.6 65.9 57.3 63 66 C A G > S+ 0 0 11 -2,-0.8 3,-1.2 1,-0.2 6,-0.2 0.517 71.0 73.2 -93.0 3.0 16.2 65.5 54.0 64 67 C S G 3 S+ 0 0 103 1,-0.3 -1,-0.2 -3,-0.0 3,-0.0 0.270 94.9 57.7 -93.4 23.3 17.3 68.7 52.5 65 68 C D G < S+ 0 0 97 -3,-0.7 2,-0.6 -39,-0.1 -1,-0.3 0.104 89.8 93.1-128.9 14.6 20.6 67.3 52.4 66 69 C S < - 0 0 14 -3,-1.2 3,-0.3 1,-0.1 -42,-0.1 -0.977 57.1-162.8-124.4 122.2 19.5 64.4 50.4 67 70 C S S S+ 0 0 113 -42,-1.4 -1,-0.1 -2,-0.6 -4,-0.0 0.651 91.3 44.8 -66.3 -26.9 19.6 64.5 46.8 68 71 C S S S+ 0 0 27 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.520 81.6 120.8-100.1 -12.2 17.1 61.5 46.4 69 72 C Y - 0 0 64 -3,-0.3 2,-0.4 -6,-0.2 23,-0.2 0.072 43.9-157.7 -54.8 154.3 14.4 62.3 48.9 70 73 C K E -M 91 0D 109 21,-1.9 21,-2.2 0, 0.0 -1,-0.1 -0.946 15.9-113.5-149.9 128.1 11.1 62.6 47.9 71 74 C H E +M 90 0D 139 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.296 41.5 147.7 -63.8 144.3 8.3 64.4 49.4 72 75 C N E - 0 0 75 17,-0.6 18,-0.2 2,-0.0 -1,-0.1 0.182 20.4-169.3-140.0 -92.3 5.2 62.7 50.8 73 76 C G E + 0 0 33 16,-1.8 17,-0.1 1,-0.3 2,-0.1 0.295 30.1 134.5 121.1 -29.1 3.5 64.2 53.6 74 77 C T E - 0 0 75 14,-0.1 15,-2.6 1,-0.0 -1,-0.3 -0.455 52.0-122.8 -72.1 146.9 0.8 62.0 55.1 75 78 C E E -M 88 0D 152 13,-0.2 2,-0.3 -2,-0.1 13,-0.2 -0.270 30.1-177.7 -72.3 165.3 0.8 61.8 58.9 76 79 C L E -M 87 0D 15 11,-1.2 11,-1.5 -2,-0.1 2,-0.4 -0.884 13.3-157.4-169.5 133.8 1.1 58.5 60.3 77 80 C T E -M 86 0D 44 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.999 10.7-151.6-123.7 123.7 1.1 57.6 64.0 78 81 C L E -M 85 0D 9 7,-2.5 7,-1.8 -2,-0.4 2,-0.5 -0.866 8.5-165.5-101.4 125.1 2.6 54.3 65.2 79 82 C R E +M 84 0D 197 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.871 12.3 178.8-105.9 130.1 1.3 52.5 68.2 80 83 C Y E > -M 83 0D 65 3,-0.9 3,-0.5 -2,-0.5 -42,-0.0 -0.698 46.6 -93.6-125.4-177.5 3.2 49.8 69.9 81 84 C S T 3 S+ 0 0 64 1,-0.2 217,-0.2 -2,-0.2 -1,-0.1 0.864 125.6 16.2 -52.6 -38.6 3.1 47.5 72.9 82 85 C T T 3 S+ 0 0 95 1,-0.3 -1,-0.2 215,-0.1 2,-0.2 0.187 125.9 2.7-136.5 33.8 4.9 50.0 74.6 83 86 C G E < -M 80 0D 18 -3,-0.5 -3,-0.9 32,-0.1 2,-0.3 -0.635 53.0-127.7 157.2 146.9 5.1 53.7 73.1 84 87 C T E -M 79 0D 61 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.770 15.7-173.0-111.0 152.4 3.8 55.8 70.2 85 88 C V E -M 78 0D 0 -7,-1.8 -7,-2.5 -2,-0.3 2,-0.2 -0.973 10.5-161.2-140.6 143.0 5.8 57.9 67.9 86 89 C S E +MN 77 110D 22 24,-1.9 24,-1.2 -2,-0.4 23,-1.0 -0.776 28.8 113.5-122.2 169.7 4.0 60.1 65.5 87 90 C G E -MN 76 108D 2 -11,-1.5 -11,-1.2 21,-0.3 2,-0.3 -0.986 49.5 -74.5 164.6-150.3 5.3 61.8 62.2 88 91 C F E -MN 75 107D 29 19,-2.7 19,-2.8 -2,-0.3 -13,-0.2 -0.957 37.4 -95.9-150.6 162.2 5.0 61.9 58.4 89 92 C L E + N 0 106D 8 -15,-2.6 -16,-1.8 -2,-0.3 -17,-0.6 -0.397 40.6 153.4 -78.9 151.2 5.8 60.0 55.4 90 93 C S E -MN 71 105D 0 15,-2.4 15,-2.7 -18,-0.2 2,-0.4 -0.981 26.2-128.7-163.6 169.6 8.7 60.3 53.0 91 94 C Q E +MN 70 104D 50 -21,-2.2 -21,-1.9 -2,-0.3 2,-0.3 -0.996 34.6 129.2-140.2 143.1 10.9 58.5 50.4 92 95 C D E - 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