==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 02-AUG-12 4GEI . COMPND 2 MOLECULE: THIOREDOXIN-INTERACTING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.POLEKHINA,S.F.KOK,D.B.ASCHER,M.WALTHAM . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 41.7 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 . 1 0.7 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 . 14 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.9 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+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 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 2 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 6 A K 0 0 196 0, 0.0 131,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.6 21.9 47.3 8.2 2 7 A I - 0 0 26 1,-0.1 3,-0.2 28,-0.1 28,-0.2 0.015 360.0 -99.2 -72.9 174.2 18.9 44.9 7.5 3 8 A K S S- 0 0 130 26,-0.3 2,-0.3 1,-0.2 27,-0.2 0.887 99.5 -8.2 -61.0 -44.5 16.6 43.0 9.9 4 9 A S E +A 29 0A 33 25,-2.0 25,-2.6 2,-0.0 2,-0.4 -0.926 56.7 170.7-160.8 133.3 18.4 39.6 9.5 5 10 A F E +A 28 0A 5 -2,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.923 24.5 158.8-147.8 107.6 21.2 38.3 7.3 6 11 A E E -A 27 0A 84 21,-2.0 21,-2.9 -2,-0.4 2,-0.5 -0.995 41.7-132.6-142.6 141.0 22.6 34.9 8.1 7 12 A V E -A 26 0A 0 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.830 30.9-173.3 -84.0 126.8 24.5 31.9 6.7 8 13 A V E -A 25 0A 38 17,-3.1 17,-2.7 -2,-0.5 2,-0.2 -0.962 13.1-146.0-127.7 111.2 22.7 28.8 7.7 9 14 A F E -A 24 0A 11 -2,-0.5 15,-0.3 15,-0.2 4,-0.0 -0.525 20.0-126.1 -74.9 146.5 24.2 25.4 7.0 10 15 A N S S+ 0 0 86 13,-2.4 14,-0.1 1,-0.3 -1,-0.1 0.829 110.9 28.4 -61.0 -33.6 21.8 22.5 6.2 11 16 A D S > S- 0 0 93 12,-0.4 3,-1.4 1,-0.1 -1,-0.3 -0.859 80.6-165.4-126.0 97.7 23.5 20.5 9.0 12 17 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.659 81.6 42.2 -62.7 -25.6 24.8 23.0 11.6 13 18 A E T 3 S+ 0 0 197 125,-0.1 2,-0.2 2,-0.1 125,-0.0 -0.031 85.8 132.8-110.0 29.5 27.3 20.9 13.6 14 19 A K < - 0 0 80 -3,-1.4 125,-0.7 1,-0.0 2,-0.5 -0.474 48.0-149.9 -83.3 148.1 28.9 19.0 10.7 15 20 A V E -c 139 0B 78 -2,-0.2 2,-0.4 123,-0.1 125,-0.3 -0.992 24.5-149.5-111.6 119.5 32.6 18.4 10.1 16 21 A Y E -c 140 0B 5 123,-2.7 125,-2.2 -2,-0.5 2,-0.2 -0.734 8.4-147.8 -96.2 134.6 33.1 18.3 6.3 17 22 A G E > -c 141 0B 0 -2,-0.4 3,-2.5 123,-0.2 83,-0.3 -0.526 36.2 -65.4 -96.6 170.3 35.8 16.2 4.7 18 23 A S T 3 S+ 0 0 3 123,-1.3 84,-0.3 1,-0.3 -1,-0.2 -0.215 122.1 14.0 -45.7 137.2 37.9 16.5 1.7 19 24 A G T 3 S+ 0 0 15 82,-1.4 -1,-0.3 1,-0.2 83,-0.2 0.303 98.5 130.1 79.3 -11.6 35.8 16.2 -1.4 20 25 A E < - 0 0 76 -3,-2.5 80,-2.7 81,-0.2 2,-0.4 -0.430 60.5-109.9 -85.2 154.3 32.5 16.7 0.4 21 26 A R E - B 0 99A 150 78,-0.2 2,-0.5 -2,-0.1 78,-0.2 -0.636 21.7-160.1 -79.9 131.7 29.6 19.1 -0.4 22 27 A V E + B 0 98A 0 76,-3.1 76,-2.0 -2,-0.4 2,-0.3 -0.973 24.5 171.1-109.8 118.8 29.0 22.0 2.0 23 28 A A E + B 0 97A 18 -2,-0.5 -13,-2.4 74,-0.2 -12,-0.4 -0.928 10.1 119.4-135.2 151.0 25.5 23.3 1.5 24 29 A G E -AB 9 96A 2 72,-2.3 72,-2.7 -2,-0.3 2,-0.3 -0.922 47.2 -86.6-175.4-159.4 23.1 25.7 3.2 25 30 A R E -AB 8 95A 73 -17,-2.7 -17,-3.1 -2,-0.3 2,-0.6 -0.978 14.6-138.5-133.0 146.6 21.1 28.9 2.7 26 31 A V E -AB 7 94A 0 68,-2.8 68,-3.0 -2,-0.3 2,-0.5 -0.966 32.3-157.5 -99.8 120.8 21.7 32.6 3.0 27 32 A I E -AB 6 93A 21 -21,-2.9 -21,-2.0 -2,-0.6 2,-0.4 -0.883 10.6-172.5-109.5 128.5 18.6 33.8 4.8 28 33 A V E +AB 5 92A 0 64,-2.6 64,-2.9 -2,-0.5 2,-0.3 -0.968 7.6 176.2-126.9 133.9 17.5 37.5 4.5 29 34 A E E -A 4 0A 47 -25,-2.6 -25,-2.0 -2,-0.4 -26,-0.3 -0.992 9.3-164.4-132.8 144.0 14.7 39.3 6.3 30 35 A V - 0 0 5 60,-0.4 59,-0.4 -2,-0.3 60,-0.3 -0.895 21.9-150.6-127.8 157.5 13.9 43.0 6.1 31 36 A S S S+ 0 0 75 -2,-0.3 2,-0.3 57,-0.2 -1,-0.1 0.490 86.4 27.8-103.2 -6.0 11.8 45.4 8.2 32 37 A E S S- 0 0 140 54,-0.0 2,-0.1 55,-0.0 -29,-0.1 -0.946 104.4 -74.9-145.1 161.0 10.8 47.7 5.3 33 38 A V + 0 0 97 -2,-0.3 2,-0.4 54,-0.1 54,-0.2 -0.394 60.5 177.1 -59.9 127.7 10.5 47.3 1.5 34 39 A T E -D 86 0C 19 52,-2.3 52,-3.2 -2,-0.1 2,-0.4 -1.000 28.2-137.7-144.5 133.5 14.0 47.0 0.1 35 40 A R E -D 85 0C 142 -2,-0.4 2,-0.5 50,-0.2 50,-0.2 -0.769 21.3-154.5 -90.7 141.1 15.5 46.4 -3.3 36 41 A V E -D 84 0C 3 48,-2.6 48,-1.0 -2,-0.4 90,-0.2 -0.966 14.7-168.7-121.2 125.3 18.5 44.1 -3.4 37 42 A K - 0 0 106 88,-2.0 2,-0.3 -2,-0.5 89,-0.2 0.891 69.0 -26.6 -75.5 -42.8 21.1 44.2 -6.2 38 43 A A E -E 125 0D 20 87,-1.4 87,-2.9 45,-0.1 2,-0.5 -0.971 39.9-141.6-164.1 154.0 22.8 40.9 -5.3 39 44 A V E -EF 124 71D 1 32,-0.6 32,-2.5 -2,-0.3 2,-0.3 -0.998 34.1-175.0-117.2 124.3 23.6 38.3 -2.7 40 45 A R E -EF 123 70D 80 83,-2.4 83,-2.6 -2,-0.5 2,-0.3 -0.796 11.9-148.1-117.2 163.2 27.1 37.0 -3.1 41 46 A I E -EF 122 69D 3 28,-2.7 28,-1.9 -2,-0.3 2,-0.4 -0.973 10.9-175.3-132.3 138.1 29.1 34.3 -1.4 42 47 A L E -EF 121 68D 20 79,-2.4 79,-3.1 -2,-0.3 2,-0.5 -0.971 7.1-171.8-126.9 120.3 32.8 33.8 -0.6 43 48 A A E -EF 120 67D 0 24,-2.7 24,-2.6 -2,-0.4 2,-0.4 -0.953 14.7-177.7-108.3 128.2 33.9 30.5 0.9 44 49 A S E -EF 119 66D 7 75,-2.5 75,-2.3 -2,-0.5 2,-0.4 -0.971 17.6-175.5-130.2 140.7 37.5 30.5 2.0 45 50 A G E +EF 118 65D 0 20,-2.3 20,-1.6 -2,-0.4 19,-1.6 -0.963 10.5 172.7-138.2 119.3 39.8 28.0 3.6 46 51 A V E -EF 117 63D 36 71,-1.9 71,-2.3 -2,-0.4 2,-0.4 -0.993 7.4-171.7-127.6 134.8 43.4 28.8 4.6 47 52 A A E -EF 116 62D 0 15,-2.7 15,-2.8 -2,-0.4 2,-0.4 -0.964 2.9-176.1-124.2 140.2 45.8 26.7 6.5 48 53 A K E +EF 115 61D 99 67,-1.7 67,-2.3 -2,-0.4 2,-0.3 -0.981 2.9 177.3-132.6 150.8 49.2 27.6 7.9 49 54 A V E -EF 114 60D 7 11,-2.2 11,-2.5 -2,-0.4 2,-0.4 -0.998 9.7-167.1-148.0 147.5 51.9 25.7 9.7 50 55 A L E +EF 113 59D 45 63,-2.1 63,-1.6 -2,-0.3 62,-0.9 -1.000 19.7 161.7-132.2 135.3 55.4 26.4 11.0 51 56 A W E - F 0 58D 54 7,-2.1 7,-3.1 -2,-0.4 2,-0.4 -0.978 31.1-122.6-146.8 161.1 57.8 23.8 12.1 52 57 A M E - F 0 57D 79 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.862 12.1-170.8-103.4 142.0 61.5 23.3 12.8 53 58 A Q E > S- F 0 56D 109 3,-2.6 3,-2.5 -2,-0.4 2,-0.2 -0.874 71.1 -60.6-125.5 101.0 63.8 20.8 11.0 54 59 A G T 3 S- 0 0 76 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.467 121.7 -16.4 56.2-124.8 67.0 21.0 13.0 55 60 A S T 3 S+ 0 0 126 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.551 117.3 103.0 -83.0 -6.8 68.1 24.6 12.7 56 61 A Q E < -F 53 0D 121 -3,-2.5 -3,-2.6 1,-0.0 2,-0.4 -0.693 61.7-148.8 -90.2 118.2 65.8 25.2 9.7 57 62 A Q E -F 52 0D 133 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.748 22.2-169.9 -77.9 127.6 62.6 27.2 10.3 58 63 A C E +F 51 0D 13 -7,-3.1 -7,-2.1 -2,-0.4 2,-0.3 -0.873 9.0 175.5-121.5 146.6 59.9 26.0 7.8 59 64 A A E -F 50 0D 68 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.991 9.6-169.9-149.9 147.4 56.5 27.4 7.0 60 65 A Q E -F 49 0D 92 -11,-2.5 -11,-2.2 -2,-0.3 2,-0.4 -0.999 3.4-171.4-136.3 144.3 53.7 26.8 4.7 61 66 A T E -F 48 0D 96 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.983 11.8-176.1-132.6 119.6 50.6 28.7 3.9 62 67 A S E -F 47 0D 33 -15,-2.8 -15,-2.7 -2,-0.4 2,-0.9 -0.983 22.4-160.6-119.4 127.2 47.9 27.2 1.7 63 68 A E E +F 46 0D 109 -2,-0.5 -17,-0.2 -17,-0.2 3,-0.1 -0.883 25.7 167.5 -96.0 96.6 44.7 28.7 0.4 64 69 A Y E + 0 0 57 -19,-1.6 2,-0.4 -2,-0.9 -18,-0.2 0.672 59.3 39.5 -86.5 -24.3 43.0 25.4 -0.3 65 70 A L E +F 45 0D 11 -20,-1.6 -20,-2.3 -3,-0.1 2,-0.3 -0.995 50.8 155.8-134.5 125.8 39.5 26.7 -0.9 66 71 A R E +F 44 0D 134 -2,-0.4 2,-0.5 -22,-0.2 -22,-0.2 -0.848 14.7 167.3-144.0 107.7 38.3 29.8 -2.6 67 72 A Y E +F 43 0D 58 -24,-2.6 -24,-2.7 -2,-0.3 2,-0.4 -0.992 6.6 179.6-122.0 129.5 34.7 29.6 -3.9 68 73 A E E +F 42 0D 126 -2,-0.5 2,-0.3 -26,-0.2 -26,-0.2 -0.991 11.6 152.4-132.3 137.0 32.9 32.8 -5.1 69 74 A D E -F 41 0D 69 -28,-1.9 -28,-2.7 -2,-0.4 2,-0.5 -0.980 41.6-125.0-152.9 161.7 29.3 32.9 -6.5 70 75 A T E -F 40 0D 71 -2,-0.3 -30,-0.2 -30,-0.2 2,-0.2 -0.983 36.1-142.2-111.2 124.9 26.3 35.1 -6.9 71 76 A L E -F 39 0D 5 -32,-2.5 -32,-0.6 -2,-0.5 2,-0.4 -0.495 11.7-153.1 -89.3 155.9 23.3 33.4 -5.4 72 77 A L - 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