==== 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 HEAT SHOCK PROTEIN 30-JUL-98 1SHS . COMPND 2 MOLECULE: SMALL HEAT SHOCK PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR K.K.KIM,R.KIM,S.H.KIM,BERKELEY STRUCTURAL GENOMICS CENTER (B . 920 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 398 43.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.6 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 . 129 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 6 0 6 24 8 16 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 . 0 0 4 12 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 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 33 A T 0 0 31 0, 0.0 120,-0.1 0, 0.0 192,-0.0 0.000 360.0 360.0 360.0 -11.8 11.5 36.5 72.4 2 34 A G + 0 0 28 77,-0.1 2,-0.3 78,-0.1 79,-0.0 -0.093 360.0 160.2 -50.3 124.9 8.2 35.8 74.2 3 35 A I - 0 0 50 77,-0.1 2,-0.6 2,-0.1 76,-0.2 -0.954 15.0-170.1-144.8 117.6 4.9 36.6 72.6 4 36 A Q E -A 78 0A 88 74,-0.8 74,-1.8 -2,-0.3 2,-0.3 -0.941 2.1-174.1-120.4 114.5 1.8 34.9 73.9 5 37 A I E +A 77 0A 41 -2,-0.6 2,-0.3 72,-0.2 72,-0.2 -0.762 17.8 150.5-100.7 151.1 -1.5 35.2 72.0 6 38 A S E +A 76 0A 43 70,-0.6 70,-3.2 -2,-0.3 2,-0.3 -0.870 14.2 87.9-178.4 143.3 -4.7 33.8 73.5 7 39 A G E -A 75 0A 48 -2,-0.3 2,-0.3 68,-0.3 68,-0.2 -0.971 62.2 -71.9 154.2-162.7 -8.4 34.4 73.5 8 40 A K E S+A 74 0A 98 66,-0.8 66,-2.7 -2,-0.3 -2,-0.1 -0.929 75.2 32.4-130.9 154.7 -11.5 33.4 71.5 9 41 A G S S- 0 0 26 -2,-0.3 2,-0.5 64,-0.2 64,-0.1 -0.007 92.5 -51.5 91.1 162.1 -13.0 34.2 68.1 10 42 A F + 0 0 62 60,-0.1 -2,-0.1 1,-0.1 63,-0.0 -0.603 67.1 142.9 -78.1 118.9 -11.5 35.0 64.7 11 43 A M - 0 0 0 -2,-0.5 17,-0.1 17,-0.1 -1,-0.1 -0.391 36.8-150.0-159.9 75.8 -8.9 37.8 65.0 12 44 A P - 0 0 9 0, 0.0 15,-1.6 0, 0.0 2,-0.2 -0.216 23.4-161.4 -50.5 118.0 -5.8 37.7 62.8 13 45 A I E -E 26 0B 0 13,-0.2 285,-3.4 2,-0.0 286,-0.5 -0.513 13.4-168.8 -99.7 169.1 -3.1 39.6 64.7 14 46 A S E -EF 25 297B 0 11,-0.9 11,-2.9 283,-0.3 2,-0.6 -0.898 6.2-158.3-157.8 126.4 0.2 41.1 63.5 15 47 A I E -EF 24 296B 0 281,-4.1 281,-1.9 -2,-0.3 280,-0.8 -0.949 7.0-173.1-117.6 121.0 2.9 42.4 65.7 16 48 A I E -EF 23 294B 1 7,-2.6 7,-2.9 -2,-0.6 2,-0.5 -0.911 9.0-156.6-108.6 135.1 5.5 44.8 64.4 17 49 A E E +EF 22 293B 8 276,-3.2 276,-1.7 -2,-0.4 5,-0.2 -0.944 13.3 176.2-117.9 126.7 8.5 45.8 66.5 18 50 A G - 0 0 0 3,-2.6 274,-0.1 -2,-0.5 272,-0.0 -0.473 46.3 -95.9-110.2-173.0 10.4 49.0 66.2 19 51 A D S S+ 0 0 64 -2,-0.2 90,-0.3 1,-0.2 3,-0.0 0.876 120.0 19.3 -74.2 -37.2 13.2 50.3 68.3 20 52 A Q S S+ 0 0 124 88,-0.1 83,-3.4 82,-0.0 2,-0.3 0.312 128.3 20.5-117.7 9.8 11.1 52.4 70.6 21 53 A H E - G 0 102B 41 81,-0.3 -3,-2.6 62,-0.1 2,-0.4 -0.951 61.6-123.7-161.9 178.2 7.7 51.0 70.2 22 54 A I E -EG 17 101B 0 79,-2.6 79,-3.2 -2,-0.3 2,-0.4 -0.999 17.1-155.4-138.1 131.9 5.5 48.1 69.2 23 55 A K E -EG 16 100B 37 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.4 -0.849 7.9-166.2-106.5 143.3 2.7 48.2 66.6 24 56 A V E -EG 15 99B 1 75,-2.2 75,-2.8 -2,-0.4 2,-0.4 -0.977 0.9-166.5-133.2 120.9 -0.2 45.7 66.8 25 57 A I E -EG 14 98B 15 -11,-2.9 -11,-0.9 -2,-0.4 2,-0.4 -0.905 7.3-176.9-110.6 138.3 -2.6 45.2 63.9 26 58 A A E -EG 13 97B 1 71,-2.7 71,-2.0 -2,-0.4 2,-0.8 -0.992 24.1-133.8-135.0 140.5 -5.8 43.3 64.3 27 59 A W E + G 0 96B 8 -15,-1.6 69,-0.2 -2,-0.4 68,-0.1 -0.809 33.0 160.0 -95.2 107.4 -8.6 42.3 61.8 28 60 A L > + 0 0 0 67,-2.9 3,-1.8 -2,-0.8 67,-0.1 -0.437 15.9 178.9-121.2 56.9 -12.0 43.1 63.3 29 61 A P T 3 S+ 0 0 0 0, 0.0 298,-0.2 0, 0.0 3,-0.1 -0.317 71.5 15.2 -60.8 141.6 -14.1 43.2 60.1 30 62 A G T 3 S+ 0 0 26 296,-3.1 22,-0.4 1,-0.3 2,-0.3 0.288 96.6 124.7 79.6 -13.8 -17.7 43.8 60.9 31 63 A V < - 0 0 0 -3,-1.8 2,-0.5 295,-0.2 -1,-0.3 -0.590 63.1-120.8 -81.5 142.7 -16.9 45.0 64.4 32 64 A N >> - 0 0 65 18,-0.7 3,-4.7 -2,-0.3 4,-0.5 -0.711 15.3-126.3 -87.4 128.0 -18.2 48.5 65.4 33 65 A K G >4 S+ 0 0 72 -2,-0.5 3,-1.0 1,-0.3 -1,-0.1 0.804 112.2 49.1 -36.1 -44.3 -15.5 51.0 66.5 34 66 A E G 34 S+ 0 0 136 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.339 101.0 64.3 -83.9 8.6 -17.4 51.6 69.7 35 67 A D G <4 S+ 0 0 56 -3,-4.7 15,-0.6 15,-0.0 2,-0.4 0.366 84.0 97.0-107.0 0.6 -17.7 47.9 70.4 36 68 A I E << -B 49 0A 16 -3,-1.0 2,-0.5 -4,-0.5 13,-0.2 -0.728 57.2-162.1 -92.1 137.3 -14.0 47.6 70.8 37 69 A I E -B 48 0A 55 11,-2.9 11,-2.4 -2,-0.4 2,-0.5 -0.978 10.1-175.8-122.0 120.8 -12.4 47.6 74.2 38 70 A L E +B 47 0A 8 -2,-0.5 538,-2.3 538,-0.4 2,-0.3 -0.959 15.9 143.3-120.6 124.9 -8.7 48.3 74.3 39 71 A N E +BC 46 575A 17 7,-1.6 7,-2.5 -2,-0.5 2,-0.3 -0.980 12.7 169.1-157.3 150.2 -6.5 48.3 77.4 40 72 A A E -BC 45 574A 0 534,-2.7 534,-2.5 -2,-0.3 2,-0.3 -0.968 7.4-177.8-155.8 165.7 -3.0 47.3 78.2 41 73 A V E > -B 44 0A 14 3,-2.1 3,-2.1 -2,-0.3 2,-0.5 -0.933 60.9 -13.0-168.2 144.4 -0.4 47.5 81.0 42 74 A G T 3 S- 0 0 26 41,-0.4 41,-2.9 -2,-0.3 62,-0.1 -0.441 128.8 -23.8 62.5-110.8 3.2 46.3 81.5 43 75 A D T 3 S+ 0 0 45 -2,-0.5 36,-3.4 39,-0.3 2,-0.4 0.178 119.3 83.7-120.9 18.3 3.9 43.9 78.7 44 76 A T E < -BD 41 78A 30 -3,-2.1 -3,-2.1 34,-0.3 2,-0.4 -0.980 50.9-166.9-131.3 134.3 0.4 42.7 77.8 45 77 A L E -BD 40 77A 0 32,-2.2 32,-4.1 -2,-0.4 2,-0.5 -0.867 7.6-157.3-113.4 144.9 -2.3 44.2 75.6 46 78 A E E -BD 39 76A 4 -7,-2.5 -7,-1.6 -2,-0.4 2,-0.6 -0.979 7.4-174.3-130.1 123.2 -5.9 43.1 75.5 47 79 A I E +BD 38 75A 1 28,-3.1 28,-2.5 -2,-0.5 2,-0.4 -0.951 12.5 168.8-116.5 114.7 -8.3 43.6 72.6 48 80 A R E +BD 37 74A 49 -11,-2.4 -11,-2.9 -2,-0.6 2,-0.3 -0.989 6.2 151.1-131.1 132.3 -11.8 42.6 73.1 49 81 A A E -BD 36 73A 0 24,-2.8 24,-2.8 -2,-0.4 2,-0.4 -0.944 31.6-134.4-150.1 171.1 -14.8 43.3 70.9 50 82 A K E - D 0 72A 80 -15,-0.6 -18,-0.7 -2,-0.3 2,-0.5 -0.998 9.6-163.8-134.4 129.2 -18.1 42.1 69.8 51 83 A R - 0 0 11 20,-2.3 -20,-0.2 -2,-0.4 -21,-0.0 -0.973 24.8-127.2-115.2 127.0 -19.4 42.0 66.2 52 84 A S - 0 0 91 -2,-0.5 2,-0.1 -22,-0.4 3,-0.1 -0.299 31.6-104.1 -66.4 155.6 -23.2 41.6 65.8 53 85 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.450 41.6 -82.2 -87.3 159.3 -24.4 38.8 63.6 54 86 A L - 0 0 48 -2,-0.1 2,-0.5 1,-0.1 15,-0.0 -0.334 47.2-140.3 -55.6 118.2 -25.9 39.0 60.1 55 87 A M - 0 0 155 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.727 20.7-169.8 -87.2 130.5 -29.5 40.0 60.6 56 88 A I - 0 0 53 -2,-0.5 6,-0.1 4,-0.1 -2,-0.0 -0.978 23.6-120.3-125.6 130.4 -31.8 38.2 58.1 57 89 A T > - 0 0 62 -2,-0.4 3,-1.0 1,-0.1 0, 0.0 -0.216 37.6-107.4 -56.5 155.5 -35.5 39.0 57.5 58 90 A E T 3 S+ 0 0 187 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.889 121.0 62.9 -54.5 -34.7 -37.6 36.0 58.3 59 91 A S T 3 S+ 0 0 38 2,-0.0 -1,-0.2 191,-0.0 2,-0.1 0.807 93.8 71.4 -59.4 -36.5 -38.0 35.7 54.5 60 92 A E < - 0 0 5 -3,-1.0 2,-0.3 190,-0.1 190,-0.2 -0.452 60.6-164.7 -85.3 158.8 -34.3 35.1 53.8 61 93 A R E -I 249 0C 101 188,-1.7 188,-2.7 -2,-0.1 2,-1.4 -0.977 32.9-108.6-137.0 145.9 -32.2 32.0 54.5 62 94 A I E -I 248 0C 62 -2,-0.3 186,-0.2 186,-0.2 3,-0.1 -0.661 33.5-176.7 -82.3 97.1 -28.5 31.7 54.6 63 95 A I E - 0 0 52 -2,-1.4 2,-0.3 184,-0.9 185,-0.2 0.761 69.5 -11.6 -61.5 -28.4 -27.9 29.7 51.4 64 96 A Y E -I 247 0C 82 183,-1.8 183,-3.3 -3,-0.1 2,-0.3 -0.943 66.6-177.7-170.9 148.4 -24.1 29.6 52.2 65 97 A S E +I 246 0C 44 -2,-0.3 181,-0.3 181,-0.3 -3,-0.0 -0.892 26.9 175.4-165.1 132.4 -21.6 31.3 54.5 66 98 A E + 0 0 73 179,-3.2 180,-0.2 -2,-0.3 -1,-0.1 0.269 61.2 106.8-111.3 4.1 -17.9 31.4 55.4 67 99 A I S S- 0 0 9 178,-0.4 2,-0.0 190,-0.1 178,-0.0 -0.778 75.3-120.4 -90.5 123.8 -18.3 34.2 58.0 68 100 A P - 0 0 40 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.340 15.5-150.0 -61.3 138.7 -18.0 32.9 61.6 69 101 A E + 0 0 110 -16,-0.1 -2,-0.0 -2,-0.0 -15,-0.0 0.825 54.8 117.4 -83.5 -34.3 -21.1 33.5 63.7 70 102 A E - 0 0 74 1,-0.1 -19,-0.2 -17,-0.0 -60,-0.1 0.049 45.1-164.1 -36.4 138.6 -19.6 34.0 67.2 71 103 A E + 0 0 110 1,-0.2 -20,-2.3 -21,-0.1 2,-0.6 0.876 67.2 59.4 -98.0 -48.5 -20.3 37.5 68.5 72 104 A E E + D 0 50A 89 -22,-0.2 2,-0.3 -24,-0.0 -22,-0.2 -0.767 66.7 161.5 -90.0 123.1 -18.0 38.0 71.4 73 105 A I E + D 0 49A 1 -24,-2.8 -24,-2.8 -2,-0.6 2,-0.3 -0.961 3.3 150.9-139.5 156.0 -14.3 37.8 70.5 74 106 A Y E -AD 8 48A 76 -66,-2.7 -66,-0.8 -2,-0.3 2,-0.3 -0.984 23.5-150.0-173.6 168.5 -11.0 38.9 72.0 75 107 A R E -AD 7 47A 31 -28,-2.5 -28,-3.1 -2,-0.3 2,-0.5 -0.986 6.6-155.1-151.7 137.4 -7.3 38.3 72.5 76 108 A T E -AD 6 46A 25 -70,-3.2 -70,-0.6 -2,-0.3 2,-0.4 -0.969 25.0-160.2-112.9 130.0 -4.9 39.1 75.3 77 109 A I E -AD 5 45A 0 -32,-4.1 -32,-2.2 -2,-0.5 2,-0.8 -0.923 17.2-144.0-119.1 140.6 -1.3 39.5 73.9 78 110 A K E -AD 4 44A 65 -74,-1.8 -74,-0.8 -2,-0.4 -34,-0.3 -0.904 24.9-152.3-102.0 112.3 2.0 39.3 75.6 79 111 A L - 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