==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 22-MAY-95 1CYN . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MIKOL,J.KALLEN,M.D.WALKINSHAW . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 31.2 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 2 1.1 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 . 13 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 3 0 0 0 0 1 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 . 0 0 0 0 0 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 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 7 A G 0 0 57 0, 0.0 176,-0.1 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0-119.7 8.5 -0.6 48.8 2 8 A P - 0 0 31 0, 0.0 173,-1.6 0, 0.0 2,-0.4 -0.251 360.0-102.9 -66.6 162.2 11.0 -1.1 45.9 3 9 A K E -A 174 0A 98 171,-0.2 26,-0.5 169,-0.0 2,-0.5 -0.787 18.6-129.9 -97.9 135.7 14.1 -3.2 46.8 4 10 A V E +A 173 0A 0 169,-3.3 169,-1.4 -2,-0.4 23,-0.2 -0.718 29.1 172.5 -76.7 124.4 17.6 -1.9 47.6 5 11 A T E + 0 0 25 21,-2.8 164,-0.6 -2,-0.5 2,-0.3 0.566 64.0 9.4-110.3 -15.0 20.0 -3.8 45.4 6 12 A V E -AB 168 26A 17 20,-0.8 20,-2.6 162,-0.1 -1,-0.4 -0.966 64.9-143.4-158.0 154.5 23.3 -1.9 46.0 7 13 A K E -AB 167 25A 48 160,-2.3 160,-2.6 -2,-0.3 2,-0.3 -0.880 8.9-164.1-124.6 157.6 24.4 0.8 48.4 8 14 A V E -AB 166 24A 0 16,-1.6 16,-3.1 -2,-0.3 2,-0.4 -0.993 7.3-153.8-137.0 136.3 26.8 3.7 47.8 9 15 A Y E -AB 165 23A 42 156,-2.0 156,-1.5 -2,-0.3 2,-0.4 -0.898 5.0-166.0-112.9 150.8 28.5 5.9 50.5 10 16 A F E -AB 164 22A 1 12,-2.3 12,-2.6 -2,-0.4 2,-0.6 -0.995 9.4-153.9-126.8 135.1 29.7 9.5 50.2 11 17 A D E -AB 163 21A 36 152,-2.7 151,-2.1 -2,-0.4 152,-1.1 -0.948 25.9-159.6-103.7 121.3 32.1 11.1 52.8 12 18 A L E -AB 161 20A 6 8,-2.4 7,-2.2 -2,-0.6 8,-1.0 -0.728 15.6-164.5-109.6 153.2 31.4 14.9 52.6 13 19 A R E -AB 160 18A 68 147,-2.0 147,-2.0 -2,-0.3 2,-0.5 -0.971 7.7-156.7-129.9 141.9 33.4 17.9 53.7 14 20 A I E > S-AB 159 17A 18 3,-2.3 3,-0.7 -2,-0.4 145,-0.2 -0.978 70.0 -49.3-120.0 112.5 32.0 21.4 54.1 15 21 A G T 3 S- 0 0 27 143,-2.7 2,-0.4 -2,-0.5 145,-0.1 -0.365 127.0 -12.4 58.6-127.6 35.0 23.8 53.7 16 22 A D T 3 S+ 0 0 154 -3,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.066 118.4 93.6 -93.4 38.6 37.7 22.6 56.0 17 23 A E E < -B 14 0A 118 -3,-0.7 -3,-2.3 -2,-0.4 2,-0.6 -0.973 69.4-135.3-144.7 128.0 35.6 20.1 57.9 18 24 A D E -B 13 0A 119 -2,-0.4 -5,-0.2 -5,-0.2 -2,-0.1 -0.652 28.6-179.4 -68.8 114.2 34.9 16.4 57.6 19 25 A V E - 0 0 13 -7,-2.2 2,-0.3 -2,-0.6 -6,-0.2 0.706 39.0 -91.7-101.6 -17.8 31.1 16.4 58.2 20 26 A G E -B 12 0A 32 -8,-1.0 -8,-2.4 120,-0.0 2,-0.4 -0.852 41.0 -61.1 141.1-173.5 30.1 12.7 58.0 21 27 A R E -B 11 0A 118 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.870 28.7-162.0-116.2 139.8 29.0 9.9 55.8 22 28 A V E -B 10 0A 1 -12,-2.6 -12,-2.3 -2,-0.4 2,-0.5 -0.979 10.0-159.4-116.6 134.6 25.8 9.5 53.7 23 29 A I E -BC 9 136A 14 113,-3.0 112,-3.1 -2,-0.4 113,-1.6 -0.977 6.9-159.9-117.2 127.9 24.7 6.0 52.6 24 30 A F E -BC 8 134A 0 -16,-3.1 -16,-1.6 -2,-0.5 2,-0.5 -0.815 9.0-148.7-103.9 144.4 22.3 5.6 49.6 25 31 A G E -BC 7 133A 0 108,-2.9 108,-2.0 -2,-0.3 2,-0.4 -0.958 20.9-152.6-107.9 130.7 20.2 2.6 48.8 26 32 A L E -BC 6 132A 0 -20,-2.6 -21,-2.8 -2,-0.5 2,-1.3 -0.860 14.2-134.2-113.3 143.6 19.7 2.2 45.0 27 33 A F >> + 0 0 0 104,-2.1 4,-2.6 -2,-0.4 3,-1.1 -0.542 34.0 164.7 -99.8 70.8 16.7 0.6 43.3 28 34 A G T 34 S+ 0 0 14 -2,-1.3 -1,-0.2 1,-0.3 -24,-0.1 0.633 73.3 55.6 -64.7 -18.2 18.5 -1.5 40.7 29 35 A K T 34 S+ 0 0 160 -26,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.777 114.3 40.5 -83.5 -24.9 15.5 -3.7 39.9 30 36 A T T <4 S+ 0 0 25 -3,-1.1 -2,-0.2 -27,-0.3 61,-0.1 0.868 137.5 10.3 -87.9 -45.1 13.4 -0.6 39.1 31 37 A V S X S+ 0 0 0 -4,-2.6 4,-2.4 100,-0.1 3,-0.3 -0.501 72.7 167.2-134.2 67.9 15.9 1.5 37.2 32 38 A P H > S+ 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.874 75.5 47.1 -52.8 -43.5 18.9 -0.8 36.5 33 39 A K H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.880 112.8 46.3 -75.3 -33.5 20.6 1.4 34.0 34 40 A T H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.862 115.1 49.5 -74.1 -35.9 20.4 4.7 35.9 35 41 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.948 108.4 52.5 -68.0 -45.4 21.6 2.8 39.0 36 42 A D H X S+ 0 0 79 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.903 109.1 50.6 -56.3 -40.5 24.5 1.2 37.1 37 43 A N H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.959 112.3 45.2 -58.3 -55.2 25.6 4.7 35.9 38 44 A F H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.923 115.0 47.5 -57.2 -46.3 25.6 6.2 39.4 39 45 A V H >X S+ 0 0 11 -4,-2.6 4,-1.7 2,-0.2 3,-0.6 0.955 111.2 51.2 -64.7 -46.1 27.4 3.2 41.0 40 46 A A H 3X>S+ 0 0 4 -4,-2.7 4,-1.2 -5,-0.3 5,-0.8 0.882 110.8 48.6 -61.0 -37.0 30.0 3.2 38.2 41 47 A L H 3<5S+ 0 0 1 -4,-2.5 9,-2.2 1,-0.2 10,-0.5 0.787 109.6 53.0 -73.3 -23.7 30.7 7.0 38.8 42 48 A A H <<5S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.772 112.5 43.0 -80.4 -27.3 30.9 6.4 42.6 43 49 A T H <5S- 0 0 51 -4,-1.7 -2,-0.2 122,-0.1 -1,-0.2 0.673 101.9-131.3 -88.1 -18.8 33.6 3.7 42.3 44 50 A G T ><5 + 0 0 32 -4,-1.2 3,-2.0 -5,-0.2 -3,-0.2 0.629 54.9 150.9 76.8 13.8 35.5 5.6 39.6 45 51 A E T 3 < + 0 0 112 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.812 65.3 45.7 -43.5 -53.8 35.5 2.3 37.6 46 52 A K T 3 S- 0 0 111 2,-0.4 -1,-0.3 -6,-0.4 3,-0.1 0.088 126.3 -94.5 -85.8 19.7 35.6 3.8 34.1 47 53 A G S < S+ 0 0 72 -3,-2.0 2,-0.3 1,-0.1 -2,-0.2 0.465 102.7 66.1 87.9 -2.0 38.4 6.3 35.1 48 54 A F + 0 0 58 -8,-0.1 -2,-0.4 0, 0.0 2,-0.3 -0.954 59.0 119.7-144.3 159.4 36.2 9.3 35.9 49 55 A G - 0 0 16 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 64.8 -55.1 171.2-164.3 33.6 9.9 38.7 50 56 A Y S > S+ 0 0 0 -9,-2.2 3,-2.6 -2,-0.3 111,-0.3 0.690 77.3 117.6 -83.2 -23.9 32.4 11.7 41.7 51 57 A K T 3 S+ 0 0 109 -10,-0.5 111,-0.2 1,-0.3 -2,-0.2 -0.272 89.6 7.2 -54.1 128.7 35.3 11.5 44.1 52 58 A N T 3 S+ 0 0 112 109,-3.3 -1,-0.3 1,-0.3 110,-0.1 0.403 100.8 125.3 78.0 6.5 36.6 15.1 44.8 53 59 A S < - 0 0 11 -3,-2.6 108,-2.6 108,-0.3 -1,-0.3 -0.446 52.0-123.7 -88.7 172.0 33.7 16.8 43.0 54 60 A K B -D 160 0A 46 14,-0.4 2,-0.8 106,-0.2 13,-0.6 -0.701 11.7-118.2-117.1 160.9 31.4 19.5 44.6 55 61 A F E -E 66 0A 2 104,-2.1 104,-0.5 -2,-0.2 11,-0.3 -0.875 34.1-176.0 -91.7 111.9 27.8 20.2 45.2 56 62 A H E + 0 0 15 -2,-0.8 2,-0.4 9,-0.6 10,-0.2 0.599 61.2 36.6 -88.6 -11.9 27.4 23.3 43.2 57 63 A R E +E 65 0A 13 8,-1.5 8,-3.0 97,-0.2 2,-0.4 -0.965 58.0 166.9-148.1 116.1 23.8 24.3 44.0 58 64 A V E -E 64 0A 2 95,-2.3 2,-0.4 -2,-0.4 6,-0.2 -0.998 8.7-174.1-134.3 137.5 21.9 24.0 47.4 59 65 A I E >> -E 63 0A 29 4,-2.3 3,-1.5 -2,-0.4 4,-1.3 -0.984 29.6-120.1-133.2 118.8 18.6 25.6 48.2 60 66 A K T 34 S+ 0 0 107 -2,-0.4 86,-0.1 1,-0.3 3,-0.0 -0.289 98.1 18.1 -59.2 144.8 17.2 25.3 51.7 61 67 A D T 34 S+ 0 0 110 1,-0.2 -1,-0.3 57,-0.1 56,-0.0 0.708 127.1 56.2 58.7 25.0 13.8 23.6 51.9 62 68 A F T <4 S- 0 0 1 -3,-1.5 56,-2.6 1,-0.2 57,-0.8 0.302 102.6 -61.9-139.2 -75.8 14.3 22.1 48.4 63 69 A M E < -EF 59 117A 0 -4,-1.3 -4,-2.3 54,-0.3 2,-0.4 -0.976 29.3-116.7-171.6 165.8 17.3 20.0 47.5 64 70 A I E -EF 58 116A 0 52,-1.9 52,-2.1 -2,-0.3 2,-0.4 -0.990 32.4-156.5-120.2 135.8 21.1 19.8 47.2 65 71 A Q E +EF 57 115A 0 -8,-3.0 -8,-1.5 -2,-0.4 -9,-0.6 -0.932 25.8 134.6-121.4 137.5 22.5 19.2 43.7 66 72 A G E +EF 55 114A 0 48,-2.3 48,-1.9 -2,-0.4 -11,-0.2 -0.722 21.1 104.7-154.7-166.5 25.9 17.8 42.6 67 73 A G + 0 0 0 -13,-0.6 2,-1.8 46,-0.3 3,-0.1 0.358 43.6 128.8 99.9 -3.8 27.6 15.4 40.3 68 74 A D > + 0 0 2 -14,-0.5 4,-0.7 1,-0.2 -14,-0.4 -0.600 23.0 161.9 -83.1 86.6 29.1 17.8 37.7 69 75 A F T 4 + 0 0 41 -2,-1.8 -1,-0.2 2,-0.1 -20,-0.1 0.550 65.5 50.2 -85.0 -4.7 32.6 16.4 37.9 70 76 A T T 4 S+ 0 0 65 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.888 129.4 9.7 -94.8 -51.4 33.9 18.0 34.6 71 77 A R T 4 S- 0 0 140 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.662 80.5-145.6 -98.4 -24.6 32.9 21.7 34.8 72 78 A G S < S+ 0 0 20 -4,-0.7 -3,-0.1 1,-0.1 -4,-0.1 0.571 78.9 84.3 69.9 9.4 31.8 22.0 38.5 73 79 A D S S- 0 0 92 81,-0.0 113,-0.1 -16,-0.0 -1,-0.1 0.388 109.1 -90.8-124.8 4.2 29.1 24.6 37.6 74 80 A G S S+ 0 0 1 111,-0.1 113,-0.1 -6,-0.1 39,-0.1 0.138 110.7 83.3 103.7 -17.6 25.9 22.7 36.4 75 81 A T S S+ 0 0 57 110,-0.1 110,-0.1 111,-0.1 2,-0.1 0.622 86.1 53.3 -96.2 -7.3 26.8 22.6 32.7 76 82 A G + 0 0 1 -8,-0.1 36,-0.3 2,-0.0 37,-0.2 -0.129 50.6 101.1-112.5-155.4 29.1 19.5 32.6 77 83 A G - 0 0 1 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.187 39.7-151.6 95.9 164.5 29.2 15.9 33.6 78 84 A K - 0 0 82 -2,-0.1 5,-0.2 33,-0.1 2,-0.2 -0.967 10.4-123.2-161.8 166.2 28.8 12.8 31.5 79 85 A S B > -I 82 0B 4 3,-2.3 3,-1.2 -2,-0.3 33,-0.1 -0.589 30.0-105.7-111.4 179.4 27.6 9.2 31.9 80 86 A I T 3 S+ 0 0 38 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.518 119.9 58.1 -77.6 -4.5 29.1 5.8 31.4 81 87 A Y T 3 S- 0 0 93 1,-0.5 -1,-0.2 30,-0.1 2,-0.2 0.264 127.0 -73.6-104.5 7.5 26.7 5.6 28.3 82 88 A G B < S-I 79 0B 40 -3,-1.2 -3,-2.3 1,-0.2 -1,-0.5 -0.721 75.6 -45.6 121.8-175.8 28.0 8.7 26.6 83 89 A E S S+ 0 0 115 -2,-0.2 2,-0.3 -5,-0.2 -1,-0.2 0.908 124.8 3.6 -64.7 -40.5 27.5 12.3 27.3 84 90 A R - 0 0 75 -3,-0.2 27,-0.2 -6,-0.1 25,-0.1 -0.914 68.3-163.3-136.6 156.8 23.8 12.1 27.9 85 91 A F B -J 110 0C 14 25,-2.0 25,-2.1 -2,-0.3 3,-0.1 -0.974 28.0 -91.2-139.9 160.0 21.4 9.2 28.0 86 92 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 21,-0.0 -0.171 46.8 -88.0 -69.5 160.9 17.6 8.8 27.8 87 93 A D - 0 0 26 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.527 35.2-156.7 -64.4 122.6 15.1 8.7 30.7 88 94 A E - 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