G4V787_SCHMA Loading...

RPB6 homolog

AlphaFold DB , UniProt , Accession G4V787, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.5Very low54.8Low237 Ų237147.3 Ų147.3100%1.16782%0.823SS**  097.80-121.5161.6174.600104.3
2C56.5Low55.6Low107 Ų107150 Ų15072%0.72382%0.824SS**  56.7110.990-86.30000108.2
3D51.9Low56.3Low139 Ų139143.9 Ų143.974%0.74380%0.799SS**  cis-161.7136.341-56.7-54.8000108
4E53Low57Low184 Ų184144.1 Ų144.186%0.8680%0.798SS**  46.292.979.9-163.1167.4-171.600115.3
5Y54.9Low57.6Low234 Ų234145.9 Ų145.992%0.91880%0.798SS**  trans-160.5110.7148.8-107.8-85.3000104.7
6G49.6Very low58.2Low73 Ų73147 Ų14775%0.75380%0.796SS**  cis9272.632.200000108.5
7G54.5Low58.7Low72 Ų72145.3 Ų145.374%0.74279%0.794SS**  trans-172.649.6-177.900000110.7D9G7-D9 PolarHBondContact O-N 2.64Å; G7-D9 VanDerWaalsContact O-N 3.13Å
8A59.9Low58.9Low86 Ų86146.5 Ų146.571%0.71180%0.799SS**  trans-74.785.2157.100000105.2D10A8-D10 PolarHBondContact O-N 3.01Å
9D60.3Low59.5Low157 Ų157146.7 Ų146.784%0.8480%0.799SS**  trans-65.7100.6159.8-95.6-31.8000104.9G7 F11G7-D9 PolarHBondContact O-N 2.64Å; G7-D9 VanDerWaalsContact O-N 3.13Å; D9-F11 PolarHBondContact O-N 3.09Å
10D58.8Low59.8Low150 Ų150148.7 Ų148.780%0.80280%0.803SS**  trans-56.677.5161.2-66.9-45.6000107.2A8 E12A8-D10 PolarHBondContact O-N 3.01Å; D10-E12 PolarHBondContact O-N 3.27Å
11F58.8Low59.9Low181 Ų181147.8 Ų147.879%0.79480%0.802SS**  trans-71.384.8163-164.8-96.5000105.2D9 S13D9-F11 PolarHBondContact O-N 3.09Å; F11-S13 PolarHBondContact O-N 2.67Å
12E64.8Low60.6Low180 Ų180141.1 Ų141.184%0.84178%0.776SS**  trans-57.383.2163.3-137.4165.9-160.800105.7D10 D14D10-E12 PolarHBondContact O-N 3.27Å; E12-D14 PolarHBondContact O-N 2.69Å
13S64.7Low60.8Low71 Ų71145.1 Ų145.150%0.49778%0.784SS.*  trans-6597.5165175.90000104.2F11 E15F11-S13 PolarHBondContact O-N 2.67Å; S13-E15 PolarHBondContact O-N 2.89Å
14D65.7Low60.9Low147 Ų147146.1 Ų146.179%0.78679%0.785SS**  trans-54.386.3153.5-94.9-33.9000105.5E12 E16E12-D14 PolarHBondContact O-N 2.69Å; D14-E16 PolarHBondContact O-N 2.89Å
15E65.8Low60.8Low171 Ų171143.3 Ų143.380%0.79978%0.775SS**  trans-64.785.8163.9-78-169.3159.200104.9S13S13-E15 PolarHBondContact O-N 2.89Å
16E68.3Low60.8Low163 Ų163140.7 Ų140.776%0.76278%0.776SS**  trans-54.4127.2167.5-68.6-138.2166.300106.9D14 L18D14-E16 PolarHBondContact O-N 2.89Å; E16-L18 PolarHBondContact O-N 2.9Å
17P65.8Low61Low118 Ų118144.7 Ų144.777%0.76678%0.78SS**  trans-56119.7179.122.5-31.2000107.3D19P17-D19 VanDerWaalsContact C-N 3.33Å; P17-D19 PolarHBondContact O-N 2.84Å
18L63Low60.7Low167 Ų167146.4 Ų146.487%0.87478%0.777SS**  trans-57.6105.3167.6-69.4170.1000105.5E16 E20E16-L18 PolarHBondContact O-N 2.9Å; L18-E20 PolarHBondContact O-N 2.88Å
19D69.5Low60.3Low150 Ų150147.7 Ų147.780%0.80277%0.766SS**  trans-47.6121.4170.4-97.6-27.3000106.3P17 V21P17-D19 VanDerWaalsContact C-N 3.33Å; P17-D19 PolarHBondContact O-N 2.84Å; D19-V21 VanDerWaalsContact C-N 3.26Å; D19-V21 PolarHBondContact O-N 2.68Å
20E65.6Low59.8Low187 Ų187145 Ų14587%0.87476%0.757SS**  trans-54.299174-84.7177.6176.500106.3L18 P22L18-E20 PolarHBondContact O-N 2.88Å; E20-P22 WeakPolarHBondContact O-CD 3.25Å
21V62.5Low59.6Low129 Ų129146.1 Ų146.178%0.78276%0.758SS**  trans-57.8117.2170.9-125.90000103.7D19 E23D19-V21 VanDerWaalsContact C-N 3.26Å; D19-V21 PolarHBondContact O-N 2.68Å; V21-E23 PolarHBondContact O-N 3.38Å
22P57.9Low59.3Low97 Ų97139.4 Ų139.463%0.6374%0.74SS**  trans-50.3135177.4-26.635.2000107.4E20 E24E20-P22 WeakPolarHBondContact O-CD 3.25Å; P22-E24 HydrophobicContact CB-CG 4.22Å; P22-E24 PolarHBondContact O-N 2.88Å
23E60.6Low58.9Low192 Ų192132.8 Ų132.890%0.89771%0.712SS**  trans-65.561164.5-51.8-178.7-160.600107V21 D25V21-E23 PolarHBondContact O-N 3.38Å; E23-D25 VanDerWaalsContact C-N 3.31Å; E23-D25 PolarHBondContact O-N 2.78Å
24E54.2Low58.9Low160 Ų160130.7 Ų130.775%0.74870%0.696SS**  trans-62.7103.3170.1-91.8-174.1-179.400104.8P22 L26P22-E24 HydrophobicContact CB-CG 4.22Å; P22-E24 PolarHBondContact O-N 2.88Å; E24-L26 PolarHBondContact O-N 2.92Å
25D52Low59Low124 Ų124126.8 Ų126.866%0.66367%0.671SS**  trans-288.8171.1-66.7-50.6000111.9E23 D27 T28E23-D25 VanDerWaalsContact C-N 3.31Å; E23-D25 PolarHBondContact O-N 2.78Å; D25-D27 PolarHBondContact O-N 2.73Å; D25-T28 PolarHBondContact O-N 2.81Å; D25-T28 PolarHBondContact O-OG1 3.42Å
26L54.5Low58.9Low179 Ų179119.2 Ų119.294%0.93764%0.635SS**THydrogen-bonded Turntrans-56.2-11.7171.3-71.9167.8000111.3E24 T28E24-L26 PolarHBondContact O-N 2.92Å; L26-T28 PolarHBondContact O-N 3.2Å
27D53.8Low58.6Low157 Ų157112.9 Ų112.984%0.8461%0.608SS**THydrogen-bonded Turntrans-75.16.3169.4-105.1-12000114.7D25 K29D25-D27 PolarHBondContact O-N 2.73Å; D27-K29 PolarHBondContact O-N 2.88Å
28T48.6Very low58.2Low109 Ų109110.8 Ų110.867%0.66960%0.601SS**  trans-65.185.2167.7-50.20000108.6D25 L26 P30D25-T28 PolarHBondContact O-N 2.81Å; D25-T28 PolarHBondContact O-OG1 3.42Å; L26-T28 PolarHBondContact O-N 3.2Å; T28-P30 WeakPolarHBondContact O-CD 3.35Å; T28-P30 VanDerWaalsContact O-N 3.1Å
29K51.6Low57.7Low112 Ų112110.5 Ų110.549%0.48760%0.6SS.*  trans-51118173.6-170.5174.3-176.9-179.70106.4D27 E31D27-K29 PolarHBondContact O-N 2.88Å; K29-E31 PolarHBondContact O-N 2.86Å
30P49.8Very low57Low100 Ų100109.2 Ų109.265%0.64959%0.589SS**  trans-63.9100.5-179.223.8-32.2000108T28 G32T28-P30 WeakPolarHBondContact O-CD 3.35Å; T28-P30 VanDerWaalsContact O-N 3.1Å; P30-G32 PolarHBondContact O-N 3.04Å
31E53.2Low56.3Low174 Ų174104.6 Ų104.681%0.81357%0.574SS**THydrogen-bonded Turntrans-60.8-6.5-167.9-73.7-94.7135.400114.4K29K29-E31 PolarHBondContact O-N 2.86Å
32G54.2Low55.7Low41 Ų41101.5 Ų101.542%0.42356%0.556SS.*THydrogen-bonded Turntrans-106.3-25-170.900000117.2P30 F116P30-G32 PolarHBondContact O-N 3.04Å; G32-F116 PolarHBondContact O-N 2.73Å
33V56.5Low55.3Low41 Ų41107 Ų10725%0.24857%0.565CS.*EExtended strand (participates in β ladder)trans-148.2122-170.7-174.90000111.4Y35 I113 R114V33-Y35 HydrophobicContact CG1-CE1 4.2Å; V33-Y35 HydrophobicContact CG1-CE2 4.34Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.23Å; V33-I113 HydrophobicContact CG1-CG2 3.92Å; V33-R114 WeakPolarHBondContact CA-O 3.18Å
34T63.6Low54.9Low26 Ų26101.5 Ų101.516%0.1654%0.541CS..EExtended strand (participates in β ladder)trans-112.5137.3170.254.10000110.4R114 F116T34-R114 PolarHBondContact N-O 3.19Å; T34-R114 WeakPolarHBondContact O-CB 3.43Å; T34-R114 PolarHBondContact O-N 3.48Å; T34-R114 WeakPolarHBondContact OG1-CB 3.39Å; T34-F116 HydrophobicContact CG2-CE2 3.85Å; T34-F116 HydrophobicContact CG2-CZ 4.19Å; T34-F116 WeakPolarHBondContact OG1-CE2 3.34Å
35Y67.3Low54.6Low66 Ų6699.9 Ų99.926%0.25955%0.547SS..EExtended strand (participates in β ladder)trans-91.1133.2172-57.8-76.7000109.4V33 R71 V72 I111 I113V33-Y35 HydrophobicContact CG1-CE1 4.2Å; V33-Y35 HydrophobicContact CG1-CE2 4.34Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.23Å; Y35-R71 HydrophobicContact CE1-CB 4.23Å; Y35-R71 HydrophobicContact CE2-CB 3.64Å; Y35-R71 HydrophobicContact CE2-CG 4.15Å; Y35-R71 WeakPolarHBondContact OH-CB 2.93Å; Y35-V72 HydrophobicContact CD1-CG2 4.29Å; Y35-V72 HydrophobicContact CE1-CG2 3.81Å; Y35-I111 HydrophobicContact CD1-CG2 3.78Å; Y35-I111 HydrophobicContact CG-CG2 4.46Å; Y35-I113 HydrophobicContact CD1-CG1 4.37Å; Y35-I113 HydrophobicContact CE1-CG1 4.13Å
36I63.9Low54.5Low11 Ų1197.7 Ų97.76%0.05655%0.554CS.*EExtended strand (participates in β ladder)trans-115.4116.1173.1-59.3165.5000105.5E40 P42 I112 R114I36-E40 WeakPolarHBondContact CG2-O 3.11Å; I36-P42 HydrophobicContact CD1-CB 3.89Å; I36-P42 HydrophobicContact CD1-CG 4.09Å; I36-I112 HydrophobicContact CB-CB 4.34Å; I36-I112 PolarHBondContact N-O 3.44Å; I36-I112 PolarHBondContact O-N 2.86Å; I36-R114 HydrophobicContact CD1-CB 4.33Å; I36-R114 VanDerWaalsContact CD1-NH2 3.28Å
37T61.7Low54.5Low30 Ų3095.8 Ų95.818%0.18454%0.54CS..EExtended strand (participates in β ladder)trans-68.6144.7170.365.60000108D39 E40T37-D39 PolarHBondContact O-N 2.84Å; T37-E40 PolarHBondContact O-N 2.53Å; T37-E40 WeakPolarHBondContact OG1-CB 3.38Å; T37-E40 VanDerWaalsContact OG1-CD 3.28Å; T37-E40 VanDerWaalsContact OG1-CG 3.22Å; T37-E40 WeakPolarHBondContact OG1-CG 3.49Å; T37-E40 PolarHBondContact OG1-OE2 3.36Å
38A57.3Low54.5Low75 Ų7596.9 Ų96.962%0.6255%0.546SS*.THydrogen-bonded Turntrans-55.4-24.1-17500000113.9P110A38-P110 HydrophobicContact CB-CB 4.2Å; A38-P110 PolarHBondContact N-O 2.92Å
39D53.3Low54.9Low161 Ų16194.5 Ų94.586%0.86153%0.528SS*.THydrogen-bonded Turntrans-88.4-22.4-179.2-135.919.2000113.1T37 T41T37-D39 PolarHBondContact O-N 2.84Å; D39-T41 PolarHBondContact O-N 2.98Å
40E55.2Low55.5Low122 Ų12291.5 Ų91.557%0.5753%0.525SS*.SBendtrans-87101.4176.2-70.9173.4140.500109I36 T37I36-E40 WeakPolarHBondContact CG2-O 3.11Å; T37-E40 PolarHBondContact O-N 2.53Å; T37-E40 WeakPolarHBondContact OG1-CB 3.38Å; T37-E40 VanDerWaalsContact OG1-CD 3.28Å; T37-E40 VanDerWaalsContact OG1-CG 3.22Å; T37-E40 WeakPolarHBondContact OG1-CG 3.49Å; T37-E40 PolarHBondContact OG1-OE2 3.36Å
41T50.2Low56.6Low90 Ų9090.6 Ų90.655%0.55253%0.525SS*.  trans-51.6144.8163.155.80000109D39 R43D39-T41 PolarHBondContact O-N 2.98Å; T41-R43 PolarHBondContact O-N 2.93Å
42P50.6Low57.7Low64 Ų6485.5 Ų85.542%0.41651%0.507SS..SBendtrans-73.364-175.4-1.818.4000110.5I36 L44I36-P42 HydrophobicContact CD1-CB 3.89Å; I36-P42 HydrophobicContact CD1-CG 4.09Å; P42-L44 VanDerWaalsContact C-N 3.25Å; P42-L44 PolarHBondContact O-N 3.29Å
43R49.3Very low59.1Low213 Ų21385.2 Ų85.280%0.80450%0.497SS*.  trans-95.959.6170.6-62.6-174.9-173.3-135.22.1107T41 S45T41-R43 PolarHBondContact O-N 2.93Å; R43-S45 PolarHBondContact O-N 2.74Å
44L51.4Low60.5Low76 Ų7688.4 Ų88.440%0.39851%0.51SS..  trans-63.1101.5154.2-103.691000105.5P42 G46 M49P42-L44 VanDerWaalsContact C-N 3.25Å; P42-L44 PolarHBondContact O-N 3.29Å; L44-G46 PolarHBondContact O-N 3.39Å; L44-M49 HydrophobicContact CB-CE 4.21Å
45S49.1Very low61.4Low126 Ų12693.6 Ų93.688%0.88153%0.53SS*.THydrogen-bonded Turntrans-47117.3-178-168.50000110.7R43R43-S45 PolarHBondContact O-N 2.74Å
46G49.1Very low62.3Low79 Ų7995.6 Ų95.681%0.81455%0.554SS**THydrogen-bonded Turntrans104.4-1.215400000119.3L44L44-G46 PolarHBondContact O-N 3.39Å
47Q55.5Low63.5Low138 Ų138101.2 Ų101.265%0.64558%0.577SS**  trans-109.5127.7171.9-77.8174.5-31.100110.1M49Q47-M49 HydrophobicContact CB-CG 4.19Å; Q47-M49 PolarHBondContact O-N 2.85Å
48N53.3Low64.8Low180 Ų180102 Ų10296%0.96358%0.577SS**  trans-60.875.1166.5-75.4-44.1000108.5
49M56.1Low66.4Low60 Ų60104.2 Ų104.230%0.29658%0.583SS.*PPolyproline II helixtrans-71.5136.5-178.4-80.6-153.8-72.100108.9L44 Q47 R114 F122L44-M49 HydrophobicContact CB-CE 4.21Å; Q47-M49 HydrophobicContact CB-CG 4.19Å; Q47-M49 PolarHBondContact O-N 2.85Å; M49-R114 VanDerWaalsContact CE-NH1 3.29Å; M49-F122 HydrophobicContact CB-CE1 4.04Å; M49-F122 HydrophobicContact SD-CE1 4.13Å
50A65.9Low68.3Low49 Ų4998.2 Ų98.241%0.40555%0.552SS.*PPolyproline II helixtrans-52.5149.7167.800000109.6F122A50-F122 WeakPolarHBondContact O-CE1 3.5Å; A50-F122 WeakPolarHBondContact O-CZ 3.3Å
51A71.5Confident70.1Confident80 Ų8096 Ų9666%0.66155%0.547SS*.PPolyproline II helixtrans-61.8149.6171.400000109.8V53A51-V53 PolarHBondContact O-N 2.89Å
52P76.1Confident72.2Confident68 Ų6894.6 Ų94.644%0.44254%0.539SS..PPolyproline II helixtrans-55.4138.8172.421.4-30.9000110E54 F122P52-E54 PolarHBondContact O-N 3.37Å; P52-F122 WeakPolarHBondContact CA-O 3.08Å; P52-F122 HydrophobicContact CB-CD2 4.14Å; P52-F122 HydrophobicContact CB-CE2 3.65Å; P52-F122 HydrophobicContact CB-CZ 4.45Å; P52-F122 HydrophobicContact CG-CE2 4.3Å
53V84.7Confident74.4Confident35 Ų3597.1 Ų97.121%0.21254%0.541CS..PPolyproline II helixtrans-58133.6174178.10000108.9A51 K57 L117 F122 E123A51-V53 PolarHBondContact O-N 2.89Å; V53-K57 HydrophobicContact CG1-CB 3.98Å; V53-L117 HydrophobicContact CG2-CD1 4.25Å; V53-F122 PolarHBondContact N-O 3.04Å; V53-E123 HydrophobicContact CB-CG 4.1Å; V53-E123 HydrophobicContact CG2-CG 4.41Å
54E84.6Confident76.5Confident108 Ų10887 Ų8751%0.50550%0.503SS..PPolyproline II helixtrans-53.9141.2178.4-68.7173.9177.400111.1P52 S56 K57 R58P52-E54 PolarHBondContact O-N 3.37Å; E54-S56 PolarHBondContact O-N 2.88Å; E54-K57 PolarHBondContact O-N 3.04Å; E54-K57 IonicContact OE1-NZ 3.8Å; E54-K57 VanDerWaalsContact OE2-CE 3.23Å; E54-K57 WeakPolarHBondContact OE2-CE 3.14Å; E54-K57 IonicContact OE2-NZ 2.73Å; E54-K57 PolarHBondContact OE2-NZ 3.25Å; E54-R58 PolarHBondContact O-N 2.7Å
55K84.3Confident78.6Confident135 Ų13585.7 Ų85.759%0.58750%0.499SS*.G310 helixtrans-52.5-35-177.1-63.9-151174-161.10113.8K57 R58 E129K55-K57 VanDerWaalsContact C-N 3.31Å; K55-K57 PolarHBondContact O-N 3.48Å; K55-R58 VanDerWaalsContact CE-NH2 3.33Å; K55-E129 IonicContact NZ-OE2 3.86Å; K55-E129 PolarHBondContact NZ-OE2 3.11Å
56S86Confident80.7Confident108 Ų10886.6 Ų86.676%0.75549%0.487SS*.G310 helixtrans-75.3-15.1-18055.20000114.5E54E54-S56 PolarHBondContact O-N 2.88Å
57K87.7Confident82.8Confident128 Ų12889.8 Ų89.856%0.55748%0.475SS*.G310 helixtrans-112.28.9-177.5-62.5178.4-177.7147.80112.8V53 E54 K55V53-K57 HydrophobicContact CG1-CB 3.98Å; E54-K57 PolarHBondContact O-N 3.04Å; E54-K57 IonicContact OE1-NZ 3.8Å; E54-K57 VanDerWaalsContact OE2-CE 3.23Å; E54-K57 WeakPolarHBondContact OE2-CE 3.14Å; E54-K57 IonicContact OE2-NZ 2.73Å; E54-K57 PolarHBondContact OE2-NZ 3.25Å; K55-K57 VanDerWaalsContact C-N 3.31Å; K55-K57 PolarHBondContact O-N 3.48Å
58R90.6Very high84.6Confident46 Ų4683.7 Ų83.717%0.17445%0.446CS..  trans-63.2137.1175.1-66.5176.1-179174.7-6110.1E54 K55 E123 D124 W125 E129E54-R58 PolarHBondContact O-N 2.7Å; K55-R58 VanDerWaalsContact CE-NH2 3.33Å; R58-E123 VanDerWaalsContact CA-OE1 3.31Å; R58-E123 WeakPolarHBondContact CA-OE1 3.45Å; R58-E123 HydrophobicContact CB-CG 4.44Å; R58-E123 HydrophobicContact CG-CB 4.47Å; R58-E123 HydrophobicContact CG-CG 4.08Å; R58-D124 PolarHBondContact NH2-O 2.81Å; R58-W125 HydrophobicContact CB-CZ2 4.06Å; R58-W125 HydrophobicContact CG-CZ2 4.44Å; R58-E129 IonicContact CZ-OE1 3.78Å; R58-E129 IonicContact NH1-OE1 2.87Å; R58-E129 PolarHBondContact NH1-OE1 2.8Å; R58-E129 IonicContact NH1-OE2 3.84Å; R58-E129 IonicContact NH2-OE1 3.95Å; R58-E129 PolarHBondContact NH2-OE1 3.39Å
59V91Very high86.5Confident123 Ų12379.1 Ų79.175%0.74542%0.416SS*.  trans-112.1-24.5-177.7-176.10000111.1E123V59-E123 PolarHBondContact N-OE1 3.35Å
60T92.5Very high88.3Confident34 Ų3478.5 Ų78.521%0.20942%0.42CS..SBendtrans-69.7158.1-18074.10000112.5R115 L117 E123 W125T60-R115 HydrophobicContact CG2-CB 4.33Å; T60-R115 VanDerWaalsContact OG1-CD 3.27Å; T60-R115 WeakPolarHBondContact OG1-CD 3.38Å; T60-R115 PolarHBondContact OG1-NH1 3.39Å; T60-L117 HydrophobicContact CG2-CD2 3.86Å; T60-E123 WeakPolarHBondContact CB-OE2 3.34Å; T60-E123 WeakPolarHBondContact CG2-OE2 3.39Å; T60-E123 PolarHBondContact N-OE1 3.06Å; T60-E123 PolarHBondContact N-OE2 2.64Å; T60-E123 PolarHBondContact OG1-OE2 2.79Å; T60-W125 PolarHBondContact OG1-NE1 2.64Å
61T93.1Very high89.6Confident76 Ų7682.7 Ų82.747%0.46643%0.426SS..  trans-68.9140.7-17159.30000112.5Y63 R115T61-Y63 PolarHBondContact O-N 2.82Å; T61-R115 PolarHBondContact O-NH1 3Å
62P94Very high90.7Very high60 Ų6078.9 Ų78.939%0.3939%0.394SS..SBendtrans-7311.9176.733.4-37.9000113.8W125 I131P62-W125 HydrophobicContact CB-CH2 4.27Å; P62-W125 HydrophobicContact CB-CZ3 4.33Å; P62-I131 HydrophobicContact CB-CD1 4.39Å; P62-I131 HydrophobicContact CG-CD1 4.43Å; P62-I131 WeakPolarHBondContact O-CB 3.32Å; P62-I131 PolarHBondContact O-N 3.38Å
63Y95.9Very high91.6Very high117 Ų11776.3 Ų76.346%0.45938%0.377SS..EExtended strand (participates in β ladder)trans-100.7139.8178.8-65-85.7000110.4T61 T65 R115 I131 T133T61-Y63 PolarHBondContact O-N 2.82Å; Y63-T65 PolarHBondContact O-N 3.18Å; Y63-R115 PolarHBondContact O-NH2 3.05Å; Y63-I131 CarbonylContact C-O 3.6Å; Y63-I131 WeakPolarHBondContact CA-O 3.28Å; Y63-I131 HydrophobicContact CD1-CB 3.69Å; Y63-I131 HydrophobicContact CD1-CD1 4.39Å; Y63-I131 HydrophobicContact CD1-CG2 3.66Å; Y63-I131 HydrophobicContact CE1-CB 3.96Å; Y63-I131 HydrophobicContact CE1-CD1 4.01Å; Y63-I131 HydrophobicContact CE1-CG2 3.62Å; Y63-I131 HydrophobicContact CG-CB 4.41Å; Y63-T133 HydrophobicContact CD1-CG2 3.77Å; Y63-T133 HydrophobicContact CG-CG2 4.35Å
64L95.1Very high92.1Very high2 Ų276.6 Ų76.61%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-71.9121.2166.8-174.869.5000108.3E68 R69 L104 I113 L127 L130 I131 L132 T133L64-E68 HydrophobicContact CD1-CB 3.5Å; L64-E68 HydrophobicContact CG-CB 4.28Å; L64-R69 HydrophobicContact CD2-CB 3.8Å; L64-R69 HydrophobicContact CD2-CG 4.38Å; L64-R69 HydrophobicContact CG-CB 4.2Å; L64-L104 HydrophobicContact CD2-CD1 4.38Å; L64-I113 HydrophobicContact CD1-CD1 3.36Å; L64-L127 HydrophobicContact CD1-CD1 3.77Å; L64-L127 HydrophobicContact CD2-CD1 3.98Å; L64-L127 HydrophobicContact CG-CD1 4.5Å; L64-L130 HydrophobicContact CB-CB 4.22Å; L64-L130 HydrophobicContact CD1-CD1 3.82Å; L64-I131 PolarHBondContact N-O 2.68Å; L64-L132 HydrophobicContact CB-CD2 4.21Å; L64-L132 HydrophobicContact CD2-CD2 3.41Å; L64-L132 VanDerWaalsContact CD2-CD2 3.41Å; L64-L132 HydrophobicContact CG-CD2 4.45Å; L64-T133 PolarHBondContact O-OG1 2.79Å
65T93.8Very high92.5Very high48 Ų4872.8 Ų72.829%0.29437%0.374SS..PPolyproline II helixtrans-75.4156.5177.567.70000110.9Y63 Y67 E68 R69Y63-T65 PolarHBondContact O-N 3.18Å; T65-Y67 PolarHBondContact O-N 3.17Å; T65-E68 WeakPolarHBondContact CB-OE2 3.4Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T65-E68 PolarHBondContact N-OE2 2.86Å; T65-E68 PolarHBondContact O-N 2.91Å; T65-E68 WeakPolarHBondContact OG1-CB 3.27Å; T65-E68 WeakPolarHBondContact OG1-CG 3.41Å; T65-E68 PolarHBondContact OG1-N 2.84Å; T65-E68 PolarHBondContact OG1-OE2 3.11Å; T65-R69 WeakPolarHBondContact O-CB 3.39Å; T65-R69 PolarHBondContact O-N 2.67Å
66K94Very high93Very high145 Ų14566.6 Ų66.663%0.6335%0.347SS*.Hα-helixtrans-57-31.6174.568-179.4-176.61780113.4A70K66-A70 WeakPolarHBondContact O-CB 3.31Å; K66-A70 PolarHBondContact O-N 3.2Å; K66-A70 VanDerWaalsContact O-N 3.1Å
67Y92.7Very high93.5Very high145 Ų14562.1 Ų62.157%0.56932%0.316SS*.Hα-helixtrans-71.8-48.1178.4-55.1-63.3000110.5T65 R69 A70 R71T65-Y67 PolarHBondContact O-N 3.17Å; Y67-R69 PolarHBondContact O-N 2.69Å; Y67-A70 PolarHBondContact O-N 2.78Å; Y67-R71 WeakPolarHBondContact O-CD 3.47Å; Y67-R71 PolarHBondContact O-N 3.2Å; Y67-R71 VanDerWaalsContact O-N 3.09Å
68E93.7Very high93.9Very high10 Ų1061.1 Ų61.15%0.04732%0.316CS..Hα-helixtrans-60.2-45.8175.5-70.7162.9155.100111.2L64 T65 A70 R71 V72 I113 R115L64-E68 HydrophobicContact CD1-CB 3.5Å; L64-E68 HydrophobicContact CG-CB 4.28Å; T65-E68 WeakPolarHBondContact CB-OE2 3.4Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T65-E68 PolarHBondContact N-OE2 2.86Å; T65-E68 PolarHBondContact O-N 2.91Å; T65-E68 WeakPolarHBondContact OG1-CB 3.27Å; T65-E68 WeakPolarHBondContact OG1-CG 3.41Å; T65-E68 PolarHBondContact OG1-N 2.84Å; T65-E68 PolarHBondContact OG1-OE2 3.11Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.01Å; E68-R71 PolarHBondContact O-N 2.72Å; E68-R71 VanDerWaalsContact O-N 3.13Å; E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 VanDerWaalsContact O-CG2 3.3Å; E68-V72 WeakPolarHBondContact O-CG2 3.41Å; E68-V72 PolarHBondContact O-N 2.87Å; E68-I113 HydrophobicContact CB-CD1 4Å; E68-I113 HydrophobicContact CG-CD1 4.31Å; E68-I113 HydrophobicContact CG-CG2 4.18Å; E68-R115 IonicContact OE1-CZ 2.9Å; E68-R115 IonicContact OE1-NE 2.8Å; E68-R115 PolarHBondContact OE1-NE 3.47Å; E68-R115 IonicContact OE1-NH2 3.72Å; E68-R115 PolarHBondContact OE1-NH2 3.03Å; E68-R115 VanDerWaalsContact OE1-NH2 3.11Å; E68-R115 IonicContact OE2-CZ 3.6Å; E68-R115 IonicContact OE2-NE 3.2Å; E68-R115 IonicContact OE2-NH2 2.72Å; E68-R115 PolarHBondContact OE2-NH2 2.92Å
69R93.9Very high94.1Very high85 Ų8561.2 Ų61.232%0.32132%0.319SS..Hα-helixtrans-53.5-50.1175.1176.1175.2166.5162-3.3111.9L64 T65 Y67 R71 V72 L73 L104L64-R69 HydrophobicContact CD2-CB 3.8Å; L64-R69 HydrophobicContact CD2-CG 4.38Å; L64-R69 HydrophobicContact CG-CB 4.2Å; T65-R69 WeakPolarHBondContact O-CB 3.39Å; T65-R69 PolarHBondContact O-N 2.67Å; Y67-R69 PolarHBondContact O-N 2.69Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 3.31Å; R69-V72 PolarHBondContact O-N 3.04Å; R69-L73 HydrophobicContact CG-CD1 4.01Å; R69-L73 WeakPolarHBondContact O-CB 3.44Å; R69-L73 WeakPolarHBondContact O-CG 2.89Å; R69-L73 PolarHBondContact O-N 2.8Å; R69-L104 HydrophobicContact CG-CD2 3.96Å
70A93.7Very high94.3Very high47 Ų4756.3 Ų56.339%0.38829%0.288SS..Hα-helixtrans-59.6-40.6179.900000112K66 Y67 E68 G74K66-A70 WeakPolarHBondContact O-CB 3.31Å; K66-A70 PolarHBondContact O-N 3.2Å; K66-A70 VanDerWaalsContact O-N 3.1Å; Y67-A70 PolarHBondContact O-N 2.78Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.01Å; A70-G74 PolarHBondContact O-N 2.65Å
71R92.6Very high94.4Very high137 Ų13758 Ų5852%0.51730%0.302SS..Hα-helixtrans-76.5-38-179.5-83.478-172.1145.90.1112.7Y35 Y67 E68 R69 L73 G74 A75Y35-R71 HydrophobicContact CE1-CB 4.23Å; Y35-R71 HydrophobicContact CE2-CB 3.64Å; Y35-R71 HydrophobicContact CE2-CG 4.15Å; Y35-R71 WeakPolarHBondContact OH-CB 2.93Å; Y67-R71 WeakPolarHBondContact O-CD 3.47Å; Y67-R71 PolarHBondContact O-N 3.2Å; Y67-R71 VanDerWaalsContact O-N 3.09Å; E68-R71 PolarHBondContact O-N 2.72Å; E68-R71 VanDerWaalsContact O-N 3.13Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 3.31Å; R71-L73 VanDerWaalsContact C-N 3.35Å; R71-G74 PolarHBondContact O-N 2.71Å; R71-A75 VanDerWaalsContact O-CB 3.27Å; R71-A75 WeakPolarHBondContact O-CB 3.41Å; R71-A75 PolarHBondContact O-N 3.01Å
72V94Very high94.6Very high0 Ų061.4 Ų61.40%031%0.314CS..Hα-helixtrans-58.9-47.9172.8165.90000110.2Y35 E68 R69 R76 L104 I109 I113 L127Y35-V72 HydrophobicContact CD1-CG2 4.29Å; Y35-V72 HydrophobicContact CE1-CG2 3.81Å; E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 VanDerWaalsContact O-CG2 3.3Å; E68-V72 WeakPolarHBondContact O-CG2 3.41Å; E68-V72 PolarHBondContact O-N 2.87Å; R69-V72 PolarHBondContact O-N 3.04Å; V72-R76 WeakPolarHBondContact O-CB 3.18Å; V72-R76 PolarHBondContact O-N 3.1Å; V72-L104 HydrophobicContact CG1-CD1 4.4Å; V72-I109 HydrophobicContact CG1-CD1 3.95Å; V72-I109 HydrophobicContact CG1-CG2 4.24Å; V72-I113 HydrophobicContact CG2-CD1 3.92Å; V72-I113 HydrophobicContact CG2-CG1 4.21Å; V72-L127 HydrophobicContact CG1-CD1 4.37Å; V72-L127 HydrophobicContact CG1-CD2 3.53Å; V72-L127 HydrophobicContact CG2-CD1 4.23Å
73L95.6Very high94.5Very high14 Ų1463.9 Ų63.97%0.07333%0.333CS..Hα-helixtrans-62.9-43.9177.1-71.8173.9000111.6R69 R71 R76 A77 L97 A100 E101 L104R69-L73 HydrophobicContact CG-CD1 4.01Å; R69-L73 WeakPolarHBondContact O-CB 3.44Å; R69-L73 WeakPolarHBondContact O-CG 2.89Å; R69-L73 PolarHBondContact O-N 2.8Å; R71-L73 VanDerWaalsContact C-N 3.35Å; L73-R76 PolarHBondContact O-N 2.84Å; L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 2.97Å; L73-L97 HydrophobicContact CB-CD1 4.24Å; L73-A100 HydrophobicContact CD2-CB 4.09Å; L73-E101 HydrophobicContact CD1-CG 4.21Å; L73-E101 HydrophobicContact CD2-CB 4.43Å; L73-E101 HydrophobicContact CD2-CG 3.91Å; L73-L104 HydrophobicContact CD1-CD2 4.21Å; L73-L104 HydrophobicContact CD2-CB 4.06Å; L73-L104 HydrophobicContact CD2-CD2 3.81Å; L73-L104 HydrophobicContact CG-CD2 4Å
74G94.8Very high94.4Very high41 Ų4159.7 Ų59.742%0.42332%0.322SS..Hα-helixtrans-61.8-50176.800000112.8A70 R71 R76 A77 L78A70-G74 PolarHBondContact O-N 2.65Å; R71-G74 PolarHBondContact O-N 2.71Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.37Å; G74-A77 PolarHBondContact O-N 3.13Å; G74-L78 WeakPolarHBondContact O-CB 3.42Å; G74-L78 PolarHBondContact O-N 3.09Å
75A93.9Very high94.4Very high28 Ų2864 Ų6423%0.23135%0.35CS..Hα-helixtrans-62.1-42.417800000111.5R71 L78 Q79R71-A75 VanDerWaalsContact O-CB 3.27Å; R71-A75 WeakPolarHBondContact O-CB 3.41Å; R71-A75 PolarHBondContact O-N 3.01Å; A75-L78 PolarHBondContact O-N 2.88Å; A75-Q79 WeakPolarHBondContact O-CG 3.45Å; A75-Q79 PolarHBondContact O-N 2.81Å
76R95.2Very high94.5Very high5 Ų564.6 Ų64.62%0.01935%0.353CS..Hα-helixtrans-70.1-41.3179.6-173.156.6174.3158.113.4112.4V72 L73 G74 L78 Q79 L80 P85 A100 E103 I109 I111V72-R76 WeakPolarHBondContact O-CB 3.18Å; V72-R76 PolarHBondContact O-N 3.1Å; L73-R76 PolarHBondContact O-N 2.84Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.37Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 2.79Å; R76-Q79 PolarHBondContact O-N 3.32Å; R76-L80 HydrophobicContact CG-CD1 4.14Å; R76-L80 VanDerWaalsContact O-CG 3.28Å; R76-L80 WeakPolarHBondContact O-CG 2.89Å; R76-L80 PolarHBondContact O-N 3.36Å; R76-P85 PolarHBondContact NH2-O 3.28Å; R76-A100 HydrophobicContact CB-CB 4.01Å; R76-A100 HydrophobicContact CG-CB 3.9Å; R76-E103 WeakPolarHBondContact CG-OE2 3.39Å; R76-E103 IonicContact CZ-OE1 2.79Å; R76-E103 IonicContact CZ-OE2 3.06Å; R76-E103 VanDerWaalsContact CZ-OE2 3.27Å; R76-E103 IonicContact NE-OE1 3.58Å; R76-E103 IonicContact NE-OE2 3.77Å; R76-E103 PolarHBondContact NE-OE2 3.05Å; R76-E103 VanDerWaalsContact NH2-CD 3.3Å; R76-E103 IonicContact NH2-OE1 3.89Å; R76-E103 PolarHBondContact NH2-OE1 3.13Å; R76-E103 IonicContact NH2-OE2 2.64Å; R76-E103 PolarHBondContact NH2-OE2 3.17Å; R76-I109 HydrophobicContact CB-CD1 4.2Å; R76-I109 HydrophobicContact CB-CG2 4.31Å; R76-I109 HydrophobicContact CG-CD1 3.96Å; R76-I109 HydrophobicContact CG-CG1 4.03Å; R76-I109 HydrophobicContact CG-CG2 4.1Å; R76-I111 HydrophobicContact CB-CD1 4.39Å
77A95.9Very high94.5Very high14 Ų1461.9 Ų61.912%0.11634%0.344CS..Hα-helixtrans-61.2-39.9174.200000111.5L73 G74 L80 S81 P96 L97 A100L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 2.97Å; G74-A77 PolarHBondContact O-N 3.13Å; A77-L80 PolarHBondContact O-N 3.41Å; A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.48Å; A77-P96 HydrophobicContact CB-CB 4.27Å; A77-P96 WeakPolarHBondContact O-CB 3.42Å; A77-L97 HydrophobicContact CB-CB 4.49Å; A77-L97 HydrophobicContact CB-CD1 4.42Å; A77-A100 HydrophobicContact CB-CB 4.33Å
78L95.9Very high94.6Very high107 Ų10756.2 Ų56.256%0.5633%0.325SS*.Hα-helixtrans-61.2-48.9174.3-179.961.1000111.4G74 A75 R76 L80 S81 M82G74-L78 WeakPolarHBondContact O-CB 3.42Å; G74-L78 PolarHBondContact O-N 3.09Å; A75-L78 PolarHBondContact O-N 2.88Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 2.79Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.46Å; L78-S81 WeakPolarHBondContact O-CB 3.36Å; L78-S81 PolarHBondContact O-N 2.83Å; L78-S81 VanDerWaalsContact O-N 3.16Å; L78-S81 PolarHBondContact O-OG 3.16Å; L78-M82 HydrophobicContact CD1-SD 4.45Å; L78-M82 HydrophobicContact CG-SD 4.39Å; L78-M82 WeakPolarHBondContact O-CG 3.46Å; L78-M82 PolarHBondContact O-N 2.85Å; L78-M82 VanDerWaalsContact O-N 3.12Å
79Q95.2Very high94.7Very high48 Ų4863.7 Ų63.722%0.22436%0.36CS..Hα-helixtrans-57.4-46.1176.2-71.5172.31.100112.3A75 R76 S81 M82 A84A75-Q79 WeakPolarHBondContact O-CG 3.45Å; A75-Q79 PolarHBondContact O-N 2.81Å; R76-Q79 PolarHBondContact O-N 3.32Å; Q79-S81 VanDerWaalsContact C-N 3.29Å; Q79-S81 PolarHBondContact O-N 2.92Å; Q79-M82 CarbonylContact O-C 3.46Å; Q79-M82 WeakPolarHBondContact O-CA 3.3Å; Q79-M82 PolarHBondContact O-N 3.14Å; Q79-A84 HydrophobicContact CB-CB 3.89Å; Q79-A84 WeakPolarHBondContact O-CB 3.49Å; Q79-A84 PolarHBondContact O-N 2.9Å
80L95.7Very high94.6Very high20 Ų2063.6 Ų63.611%0.10537%0.365CS..Hα-helixtrans-61.6-38.2177.9-71.3168000111.8R76 A77 L78 M82 S83 V86 P96 I99 A100R76-L80 HydrophobicContact CG-CD1 4.14Å; R76-L80 VanDerWaalsContact O-CG 3.28Å; R76-L80 WeakPolarHBondContact O-CG 2.89Å; R76-L80 PolarHBondContact O-N 3.36Å; A77-L80 PolarHBondContact O-N 3.41Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.46Å; L80-M82 PolarHBondContact O-N 3.3Å; L80-S83 PolarHBondContact O-N 3.08Å; L80-V86 HydrophobicContact CD2-CB 4.49Å; L80-V86 HydrophobicContact CD2-CG2 3.85Å; L80-P96 HydrophobicContact CB-CB 4.08Å; L80-P96 WeakPolarHBondContact CD1-O 3.31Å; L80-I99 HydrophobicContact CD1-CB 3.91Å; L80-I99 HydrophobicContact CD1-CG2 3.64Å; L80-I99 HydrophobicContact CD2-CG2 4.12Å; L80-A100 HydrophobicContact CD1-CB 4Å
81S94.9Very high94.4Very high70 Ų7067.5 Ų67.549%0.4938%0.379SS..Hα-helixtrans-63.3-30.6174.781.80000112.6A77 L78 Q79 S83A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.48Å; L78-S81 WeakPolarHBondContact O-CB 3.36Å; L78-S81 PolarHBondContact O-N 2.83Å; L78-S81 VanDerWaalsContact O-N 3.16Å; L78-S81 PolarHBondContact O-OG 3.16Å; Q79-S81 VanDerWaalsContact C-N 3.29Å; Q79-S81 PolarHBondContact O-N 2.92Å; S81-S83 PolarHBondContact O-N 3.22Å
82M96.1Very high94.3Very high146 Ų14664.1 Ų64.172%0.71939%0.387SS*.THydrogen-bonded Turntrans-84.520174.6-60.3176.876.100112.5L78 Q79 L80 A84L78-M82 HydrophobicContact CD1-SD 4.45Å; L78-M82 HydrophobicContact CG-SD 4.39Å; L78-M82 WeakPolarHBondContact O-CG 3.46Å; L78-M82 PolarHBondContact O-N 2.85Å; L78-M82 VanDerWaalsContact O-N 3.12Å; Q79-M82 CarbonylContact O-C 3.46Å; Q79-M82 WeakPolarHBondContact O-CA 3.3Å; Q79-M82 PolarHBondContact O-N 3.14Å; L80-M82 PolarHBondContact O-N 3.3Å; M82-A84 VanDerWaalsContact C-N 3.3Å; M82-A84 PolarHBondContact O-N 2.78Å
83S92.6Very high94.2Very high113 Ų11366.6 Ų66.679%0.7940%0.399SS*.THydrogen-bonded Turntrans60.731.1-179.4-49.90000114.6L80 S81L80-S83 PolarHBondContact O-N 3.08Å; S81-S83 PolarHBondContact O-N 3.22Å
84A93.7Very high94Very high29 Ų2977.2 Ų77.224%0.2444%0.438CS..PPolyproline II helixtrans-64.4155.6171.500000111.8Q79 M82 V86Q79-A84 HydrophobicContact CB-CB 3.89Å; Q79-A84 WeakPolarHBondContact O-CB 3.49Å; Q79-A84 PolarHBondContact O-N 2.9Å; M82-A84 VanDerWaalsContact C-N 3.3Å; M82-A84 PolarHBondContact O-N 2.78Å; A84-V86 PolarHBondContact O-N 3.2Å
85P95.7Very high94.1Very high93 Ų9378.4 Ų78.460%0.60443%0.434SS*.PPolyproline II helixtrans-60.5132.6179.8-23.634000113.1R76 M87R76-P85 PolarHBondContact NH2-O 3.28Å; P85-M87 HydrophobicContact CB-CE 4.28Å
86V95.3Very high94.2Very high59 Ų5979 Ų7936%0.35844%0.436SS..PPolyproline II helixtrans-85.3134.7175.6-170.40000109.7L80 A84 V88 L90 I99L80-V86 HydrophobicContact CD2-CB 4.49Å; L80-V86 HydrophobicContact CD2-CG2 3.85Å; A84-V86 PolarHBondContact O-N 3.2Å; V86-V88 HydrophobicContact CG1-CG2 4.06Å; V86-V88 VanDerWaalsContact CG1-O 3.31Å; V86-V88 WeakPolarHBondContact CG1-O 3.42Å; V86-L90 HydrophobicContact CG1-CD2 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.28Å; V86-L90 HydrophobicContact CG2-CD1 4.46Å; V86-I99 HydrophobicContact CG1-CG2 3.76Å
87M94.4Very high94.3Very high88 Ų8882.4 Ų82.443%0.43345%0.454SS..  trans-102.73.1-174.9-56.3-59.5179.600113.7P85 E103 K108 P110P85-M87 HydrophobicContact CB-CE 4.28Å; M87-E103 PolarHBondContact N-OE1 2.74Å; M87-K108 HydrophobicContact CB-CB 3.82Å; M87-K108 WeakPolarHBondContact CB-O 3.41Å; M87-P110 HydrophobicContact CE-CG 4.15Å
88V94.9Very high94.3Very high26 Ų2687.4 Ų87.416%0.15847%0.473CS..SBendtrans-131.7158.1176.8-66.40000110.7V86 K102 E103 A106 K108V86-V88 HydrophobicContact CG1-CG2 4.06Å; V86-V88 VanDerWaalsContact CG1-O 3.31Å; V86-V88 WeakPolarHBondContact CG1-O 3.42Å; V88-K102 HydrophobicContact CG2-CB 4.31Å; V88-K102 HydrophobicContact CG2-CD 4.04Å; V88-K102 HydrophobicContact CG2-CG 4.07Å; V88-E103 HydrophobicContact CB-CG 4.21Å; V88-E103 HydrophobicContact CG1-CB 4.36Å; V88-E103 HydrophobicContact CG1-CG 3.84Å; V88-E103 HydrophobicContact CG2-CG 3.47Å; V88-E103 VanDerWaalsContact CG2-CG 3.47Å; V88-A106 HydrophobicContact CG1-CB 3.67Å; V88-K108 HydrophobicContact CG1-CB 4.23Å; V88-K108 HydrophobicContact CG1-CG 4.2Å
89E94.3Very high94.4Very high168 Ų16882.9 Ų82.979%0.78545%0.449SS*.  trans-69.3137.2174.1-65174.7-174.900110.5K102E89-K102 VanDerWaalsContact O-CE 3.28Å; E89-K102 WeakPolarHBondContact O-CE 3.42Å; E89-K102 PolarHBondContact O-NZ 3.41Å
90L92.2Very high94.4Very high82 Ų8280.6 Ų80.643%0.42944%0.439SS..  trans-96.2126.3178.3-61.2-178.3000110V86 G92 I99V86-L90 HydrophobicContact CG1-CD2 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.28Å; V86-L90 HydrophobicContact CG2-CD1 4.46Å; L90-G92 VanDerWaalsContact C-N 3.34Å; L90-I99 HydrophobicContact CD2-CB 4.48Å; L90-I99 HydrophobicContact CD2-CD1 3.88Å; L90-I99 HydrophobicContact CD2-CG1 3.75Å; L90-I99 HydrophobicContact CD2-CG2 3.95Å
91D90.3Very high94.5Very high130 Ų13082.8 Ų82.870%0.69545%0.448SS*.SBendtrans-100.937.3175.2-60-47.9000110.7E93 K102D91-E93 WeakPolarHBondContact CA-OE2 3.38Å; D91-E93 PolarHBondContact N-OE2 2.95Å; D91-K102 IonicContact OD2-NZ 3.11Å; D91-K102 PolarHBondContact OD2-NZ 2.93Å
92G90.2Very high94.5Very high65 Ų6581.3 Ų81.367%0.6743%0.433SS*.SBendtrans87.87.6-177.500000114.9L90 R94L90-G92 VanDerWaalsContact C-N 3.34Å; G92-R94 PolarHBondContact O-N 2.94Å
93E91.7Very high94.6Very high53 Ų5374.3 Ų74.325%0.24840%0.399CS..  trans-64129171.3-55.591.1158.100110.4D91 I99 K102D91-E93 WeakPolarHBondContact CA-OE2 3.38Å; D91-E93 PolarHBondContact N-OE2 2.95Å; E93-I99 HydrophobicContact CB-CG1 3.91Å; E93-K102 IonicContact OE1-NZ 2.69Å; E93-K102 PolarHBondContact OE1-NZ 2.98Å; E93-K102 IonicContact OE2-NZ 2.86Å
94R91.3Very high94.7Very high237 Ų23769.2 Ų69.289%0.89436%0.363SS*.  trans-111-16175.2-63.1-177.9175.1-167.9-2.8113G92 P96G92-R94 PolarHBondContact O-N 2.94Å; R94-P96 WeakPolarHBondContact O-CD 3.06Å
95D96.6Very high94.7Very high65 Ų6576 Ų7635%0.34838%0.382SS..  trans-82.5117.4-177.1179.3-2.7000109.8L97 K98 I99D95-L97 PolarHBondContact O-N 3.48Å; D95-L97 PolarHBondContact OD1-N 2.75Å; D95-K98 HydrophobicContact CB-CB 4.17Å; D95-K98 HydrophobicContact CB-CD 4.01Å; D95-K98 HydrophobicContact CB-CG 4.05Å; D95-K98 PolarHBondContact O-N 3.43Å; D95-K98 WeakPolarHBondContact OD2-CG 3.27Å; D95-I99 WeakPolarHBondContact O-CG1 3.48Å; D95-I99 PolarHBondContact O-N 2.85Å; D95-I99 VanDerWaalsContact O-N 3.13Å
96P96.7Very high94.7Very high41 Ų4173.9 Ų73.927%0.26637%0.372SS..Hα-helixtrans-56.1-33.9-179.7-25.534.9000113.6A77 L80 R94 I99 A100A77-P96 HydrophobicContact CB-CB 4.27Å; A77-P96 WeakPolarHBondContact O-CB 3.42Å; L80-P96 HydrophobicContact CB-CB 4.08Å; L80-P96 WeakPolarHBondContact CD1-O 3.31Å; R94-P96 WeakPolarHBondContact O-CD 3.06Å; P96-I99 PolarHBondContact O-N 3.4Å; P96-A100 WeakPolarHBondContact O-CB 3.22Å; P96-A100 PolarHBondContact O-N 3.46Å
97L96.5Very high94.6Very high76 Ų7674.3 Ų74.340%0.39837%0.372SS..Hα-helixtrans-68.6-44.1179.8-178.762000111.1L73 A77 D95 I99 A100 E101L73-L97 HydrophobicContact CB-CD1 4.24Å; A77-L97 HydrophobicContact CB-CB 4.49Å; A77-L97 HydrophobicContact CB-CD1 4.42Å; D95-L97 PolarHBondContact O-N 3.48Å; D95-L97 PolarHBondContact OD1-N 2.75Å; L97-I99 VanDerWaalsContact C-N 3.28Å; L97-I99 PolarHBondContact O-N 2.97Å; L97-A100 PolarHBondContact O-N 2.85Å; L97-E101 WeakPolarHBondContact O-CG 3.16Å; L97-E101 PolarHBondContact O-N 3.46Å
98K96.4Very high94.6Very high119 Ų11975.9 Ų75.952%0.51738%0.377SS..Hα-helixtrans-63.1-37176.9-68.4-178.4-173.7177.60112D95 E101 K102D95-K98 HydrophobicContact CB-CB 4.17Å; D95-K98 HydrophobicContact CB-CD 4.01Å; D95-K98 HydrophobicContact CB-CG 4.05Å; D95-K98 PolarHBondContact O-N 3.43Å; D95-K98 WeakPolarHBondContact OD2-CG 3.27Å; K98-E101 PolarHBondContact O-N 2.63Å; K98-K102 WeakPolarHBondContact O-CB 2.87Å; K98-K102 PolarHBondContact O-N 2.83Å
99I97.3Very high94.6Very high13 Ų1375.1 Ų75.17%0.06737%0.372CS..Hα-helixtrans-65.7-47.2174.8-61.6168.2000109.9L80 V86 L90 E93 D95 P96 L97 E101 K102 E103L80-I99 HydrophobicContact CD1-CB 3.91Å; L80-I99 HydrophobicContact CD1-CG2 3.64Å; L80-I99 HydrophobicContact CD2-CG2 4.12Å; V86-I99 HydrophobicContact CG1-CG2 3.76Å; L90-I99 HydrophobicContact CD2-CB 4.48Å; L90-I99 HydrophobicContact CD2-CD1 3.88Å; L90-I99 HydrophobicContact CD2-CG1 3.75Å; L90-I99 HydrophobicContact CD2-CG2 3.95Å; E93-I99 HydrophobicContact CB-CG1 3.91Å; D95-I99 WeakPolarHBondContact O-CG1 3.48Å; D95-I99 PolarHBondContact O-N 2.85Å; D95-I99 VanDerWaalsContact O-N 3.13Å; P96-I99 PolarHBondContact O-N 3.4Å; L97-I99 VanDerWaalsContact C-N 3.28Å; L97-I99 PolarHBondContact O-N 2.97Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.29Å; I99-K102 WeakPolarHBondContact O-CB 3.26Å; I99-K102 PolarHBondContact O-N 3.12Å; I99-K102 VanDerWaalsContact O-N 3.11Å; I99-E103 WeakPolarHBondContact O-CG 3.41Å; I99-E103 PolarHBondContact O-N 3.39Å
100A96.6Very high94.6Very high0 Ų069.4 Ų69.40%035%0.349CS..Hα-helixtrans-59.1-41.6175.700000112.2L73 R76 A77 L80 P96 L97 K102 E103 L104L73-A100 HydrophobicContact CD2-CB 4.09Å; R76-A100 HydrophobicContact CB-CB 4.01Å; R76-A100 HydrophobicContact CG-CB 3.9Å; A77-A100 HydrophobicContact CB-CB 4.33Å; L80-A100 HydrophobicContact CD1-CB 4Å; P96-A100 WeakPolarHBondContact O-CB 3.22Å; P96-A100 PolarHBondContact O-N 3.46Å; L97-A100 PolarHBondContact O-N 2.85Å; A100-K102 VanDerWaalsContact C-N 3.33Å; A100-K102 PolarHBondContact O-N 3Å; A100-E103 PolarHBondContact O-N 2.96Å; A100-L104 WeakPolarHBondContact O-CB 3.48Å; A100-L104 PolarHBondContact O-N 3.41Å
101E96.3Very high94.6Very high66 Ų6665.7 Ų65.731%0.30833%0.33SS..Hα-helixtrans-63.4-38.4174.6-73-178.5169.100112.7L73 L97 K98 I99 L104 R105L73-E101 HydrophobicContact CD1-CG 4.21Å; L73-E101 HydrophobicContact CD2-CB 4.43Å; L73-E101 HydrophobicContact CD2-CG 3.91Å; L97-E101 WeakPolarHBondContact O-CG 3.16Å; L97-E101 PolarHBondContact O-N 3.46Å; K98-E101 PolarHBondContact O-N 2.63Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.29Å; E101-L104 PolarHBondContact O-N 3.04Å; E101-R105 WeakPolarHBondContact O-CB 3.16Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 3.16Å; E101-R105 PolarHBondContact O-NE 3.39Å; E101-R105 IonicContact OE2-NH2 3.27Å
102K96Very high94.8Very high38 Ų3861.6 Ų61.617%0.16531%0.308CS..Hα-helixtrans-64.6-43.3175.4-167.8177.5-170.3174.40110.8V88 E89 D91 E93 K98 I99 A100 R105 A106V88-K102 HydrophobicContact CG2-CB 4.31Å; V88-K102 HydrophobicContact CG2-CD 4.04Å; V88-K102 HydrophobicContact CG2-CG 4.07Å; E89-K102 VanDerWaalsContact O-CE 3.28Å; E89-K102 WeakPolarHBondContact O-CE 3.42Å; E89-K102 PolarHBondContact O-NZ 3.41Å; D91-K102 IonicContact OD2-NZ 3.11Å; D91-K102 PolarHBondContact OD2-NZ 2.93Å; E93-K102 IonicContact OE1-NZ 2.69Å; E93-K102 PolarHBondContact OE1-NZ 2.98Å; E93-K102 IonicContact OE2-NZ 2.86Å; K98-K102 WeakPolarHBondContact O-CB 2.87Å; K98-K102 PolarHBondContact O-N 2.83Å; I99-K102 WeakPolarHBondContact O-CB 3.26Å; I99-K102 PolarHBondContact O-N 3.12Å; I99-K102 VanDerWaalsContact O-N 3.11Å; A100-K102 VanDerWaalsContact C-N 3.33Å; A100-K102 PolarHBondContact O-N 3Å; K102-R105 PolarHBondContact O-N 2.98Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.44Å
103E96.7Very high94.9Very high0 Ų058.5 Ų58.50%028%0.276CS..Hα-helixtrans-66-38.5175.1-68.7-178.4152.600112.9R76 M87 V88 I99 A100 A106 N107 K108 I109R76-E103 WeakPolarHBondContact CG-OE2 3.39Å; R76-E103 IonicContact CZ-OE1 2.79Å; R76-E103 IonicContact CZ-OE2 3.06Å; R76-E103 VanDerWaalsContact CZ-OE2 3.27Å; R76-E103 IonicContact NE-OE1 3.58Å; R76-E103 IonicContact NE-OE2 3.77Å; R76-E103 PolarHBondContact NE-OE2 3.05Å; R76-E103 VanDerWaalsContact NH2-CD 3.3Å; R76-E103 IonicContact NH2-OE1 3.89Å; R76-E103 PolarHBondContact NH2-OE1 3.13Å; R76-E103 IonicContact NH2-OE2 2.64Å; R76-E103 PolarHBondContact NH2-OE2 3.17Å; M87-E103 PolarHBondContact N-OE1 2.74Å; V88-E103 HydrophobicContact CB-CG 4.21Å; V88-E103 HydrophobicContact CG1-CB 4.36Å; V88-E103 HydrophobicContact CG1-CG 3.84Å; V88-E103 HydrophobicContact CG2-CG 3.47Å; V88-E103 VanDerWaalsContact CG2-CG 3.47Å; I99-E103 WeakPolarHBondContact O-CG 3.41Å; I99-E103 PolarHBondContact O-N 3.39Å; A100-E103 PolarHBondContact O-N 2.96Å; E103-A106 CarbonylContact O-C 3.57Å; E103-A106 PolarHBondContact O-N 2.96Å; E103-N107 PolarHBondContact O-N 3.21Å; E103-K108 PolarHBondContact O-N 3Å; E103-I109 HydrophobicContact CB-CD1 4.21Å; E103-I109 HydrophobicContact CB-CG1 3.51Å
104L95.7Very high95Very high6 Ų656.3 Ų56.33%0.03127%0.265CS..Hα-helixtrans-63.2-46.9175.6-177.463.8000110.4L64 R69 V72 L73 A100 E101 A106 N107 I109 L127 L132L64-L104 HydrophobicContact CD2-CD1 4.38Å; R69-L104 HydrophobicContact CG-CD2 3.96Å; V72-L104 HydrophobicContact CG1-CD1 4.4Å; L73-L104 HydrophobicContact CD1-CD2 4.21Å; L73-L104 HydrophobicContact CD2-CB 4.06Å; L73-L104 HydrophobicContact CD2-CD2 3.81Å; L73-L104 HydrophobicContact CG-CD2 4Å; A100-L104 WeakPolarHBondContact O-CB 3.48Å; A100-L104 PolarHBondContact O-N 3.41Å; E101-L104 PolarHBondContact O-N 3.04Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.44Å; L104-N107 PolarHBondContact O-N 2.91Å; L104-I109 HydrophobicContact CB-CD1 3.7Å; L104-I109 HydrophobicContact CD1-CD1 4.2Å; L104-L127 HydrophobicContact CD1-CD1 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.9Å; L104-L127 HydrophobicContact CD1-CG 4.3Å; L104-L132 HydrophobicContact CD1-CD2 3.96Å; L104-L132 HydrophobicContact CG-CD1 4.36Å; L104-L132 HydrophobicContact CG-CD2 4.39Å
105R94Very high95Very high171 Ų17145.8 Ų45.865%0.64523%0.226SC*.Hα-helixtrans-63.1-33.7176.6-77.3-177.2-96117.4-5.7112.8E101 K102 N107E101-R105 WeakPolarHBondContact O-CB 3.16Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 3.16Å; E101-R105 PolarHBondContact O-NE 3.39Å; E101-R105 IonicContact OE2-NH2 3.27Å; K102-R105 PolarHBondContact O-N 2.98Å; R105-N107 VanDerWaalsContact C-N 3.26Å
106A94.9Very high94.7Very high49 Ų4946 Ų4641%0.40522%0.223SC..THydrogen-bonded Turntrans-81.2-4.3175.400000113.7V88 K102 E103 L104 K108V88-A106 HydrophobicContact CG1-CB 3.67Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.44Å; E103-A106 CarbonylContact O-C 3.57Å; E103-A106 PolarHBondContact O-N 2.96Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.44Å; A106-K108 HydrophobicContact CB-CB 4.45Å; A106-K108 HydrophobicContact CB-CG 3.88Å; A106-K108 WeakPolarHBondContact O-CG 3.46Å; A106-K108 PolarHBondContact O-N 3.21Å
107N93.9Very high94.4Very high67 Ų6746 Ų4636%0.35822%0.221SC..THydrogen-bonded Turntrans56.644.6-175-150.224.1000113.4E103 L104 R105 D128E103-N107 PolarHBondContact O-N 3.21Å; L104-N107 PolarHBondContact O-N 2.91Å; R105-N107 VanDerWaalsContact C-N 3.26Å; N107-D128 VanDerWaalsContact ND2-CA 3.34Å; N107-D128 WeakPolarHBondContact ND2-CA 3.28Å; N107-D128 PolarHBondContact ND2-O 3Å; N107-D128 VanDerWaalsContact OD1-CA 3.26Å; N107-D128 WeakPolarHBondContact OD1-CA 3.38Å
108K95Very high94Very high121 Ų12149.1 Ų49.153%0.52625%0.246SC..  trans-117.62.8-172.9-67.8-59.7-175.5179.80115.1M87 V88 E103 A106 P110M87-K108 HydrophobicContact CB-CB 3.82Å; M87-K108 WeakPolarHBondContact CB-O 3.41Å; V88-K108 HydrophobicContact CG1-CB 4.23Å; V88-K108 HydrophobicContact CG1-CG 4.2Å; E103-K108 PolarHBondContact O-N 3Å; A106-K108 HydrophobicContact CB-CB 4.45Å; A106-K108 HydrophobicContact CB-CG 3.88Å; A106-K108 WeakPolarHBondContact O-CG 3.46Å; A106-K108 PolarHBondContact O-N 3.21Å; K108-P110 WeakPolarHBondContact O-CD 3.45Å
109I94.8Very high93.5Very high10 Ų1049.3 Ų49.35%0.05125%0.253CS..  trans-76.3121.3179.3-63.3177.9000109.6V72 R76 E103 L104 I111 L127V72-I109 HydrophobicContact CG1-CD1 3.95Å; V72-I109 HydrophobicContact CG1-CG2 4.24Å; R76-I109 HydrophobicContact CB-CD1 4.2Å; R76-I109 HydrophobicContact CB-CG2 4.31Å; R76-I109 HydrophobicContact CG-CD1 3.96Å; R76-I109 HydrophobicContact CG-CG1 4.03Å; R76-I109 HydrophobicContact CG-CG2 4.1Å; E103-I109 HydrophobicContact CB-CD1 4.21Å; E103-I109 HydrophobicContact CB-CG1 3.51Å; L104-I109 HydrophobicContact CB-CD1 3.7Å; L104-I109 HydrophobicContact CD1-CD1 4.2Å; I109-I111 VanDerWaalsContact C-N 3.26Å; I109-I111 HydrophobicContact CG2-CB 3.95Å; I109-I111 HydrophobicContact CG2-CD1 3.52Å; I109-I111 HydrophobicContact CG2-CG1 3.59Å; I109-I111 PolarHBondContact O-N 3.4Å; I109-L127 HydrophobicContact CB-CD2 3.65Å; I109-L127 HydrophobicContact CD1-CD2 4.32Å; I109-L127 HydrophobicContact CG1-CD2 4.5Å; I109-L127 HydrophobicContact CG2-CD2 3.81Å
110P93.9Very high92.9Very high48 Ų4851 Ų5131%0.31227%0.273SS..  trans-84.161.6-176.136.3-38000112.2A38 M87 K108A38-P110 HydrophobicContact CB-CB 4.2Å; A38-P110 PolarHBondContact N-O 2.92Å; M87-P110 HydrophobicContact CE-CG 4.15Å; K108-P110 WeakPolarHBondContact O-CD 3.45Å
111I92.4Very high92.5Very high5 Ų551.8 Ų51.83%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-123.3139.3-178.4-66.9177.1000110.4Y35 R76 I109 L127Y35-I111 HydrophobicContact CD1-CG2 3.78Å; Y35-I111 HydrophobicContact CG-CG2 4.46Å; R76-I111 HydrophobicContact CB-CD1 4.39Å; I109-I111 VanDerWaalsContact C-N 3.26Å; I109-I111 HydrophobicContact CG2-CB 3.95Å; I109-I111 HydrophobicContact CG2-CD1 3.52Å; I109-I111 HydrophobicContact CG2-CG1 3.59Å; I109-I111 PolarHBondContact O-N 3.4Å; I111-L127 VanDerWaalsContact O-CB 3.31Å; I111-L127 WeakPolarHBondContact O-CB 3.41Å; I111-L127 PolarHBondContact O-N 3.13Å; I111-L127 VanDerWaalsContact O-N 3.08Å
112I93.3Very high92.2Very high44 Ų4448.9 Ų48.923%0.22627%0.265CS..EExtended strand (participates in β ladder)trans-105.3132.4167.5-60.6172.1000108.3I36 D124 W125I36-I112 HydrophobicContact CB-CB 4.34Å; I36-I112 PolarHBondContact N-O 3.44Å; I36-I112 PolarHBondContact O-N 2.86Å; I112-D124 HydrophobicContact CG2-CB 3.82Å; I112-W125 CarbonylContact C-O 3.59Å; I112-W125 WeakPolarHBondContact CA-O 3.48Å
113I93Very high92Very high0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-94.8117.8173-62.5173000108V33 Y35 L64 E68 V72 R115 W125 L127 L130V33-I113 HydrophobicContact CG1-CG2 3.92Å; Y35-I113 HydrophobicContact CD1-CG1 4.37Å; Y35-I113 HydrophobicContact CE1-CG1 4.13Å; L64-I113 HydrophobicContact CD1-CD1 3.36Å; E68-I113 HydrophobicContact CB-CD1 4Å; E68-I113 HydrophobicContact CG-CD1 4.31Å; E68-I113 HydrophobicContact CG-CG2 4.18Å; V72-I113 HydrophobicContact CG2-CD1 3.92Å; V72-I113 HydrophobicContact CG2-CG1 4.21Å; I113-R115 HydrophobicContact CG2-CG 4.16Å; I113-W125 PolarHBondContact N-O 2.85Å; I113-W125 PolarHBondContact O-N 3.32Å; I113-L127 HydrophobicContact CD1-CD1 3.99Å; I113-L130 HydrophobicContact CD1-CD1 3.64Å
114R93.1Very high91.8Very high6 Ų648.6 Ų48.62%0.02327%0.265CS..EExtended strand (participates in β ladder)trans-94.7118.1170.9177.1168.6-67.7-177.9-3.6110.1V33 T34 I36 M49 F116 F122 E123 D124V33-R114 WeakPolarHBondContact CA-O 3.18Å; T34-R114 PolarHBondContact N-O 3.19Å; T34-R114 WeakPolarHBondContact O-CB 3.43Å; T34-R114 PolarHBondContact O-N 3.48Å; T34-R114 WeakPolarHBondContact OG1-CB 3.39Å; I36-R114 HydrophobicContact CD1-CB 4.33Å; I36-R114 VanDerWaalsContact CD1-NH2 3.28Å; M49-R114 VanDerWaalsContact CE-NH1 3.29Å; R114-F116 HydrophobicContact CG-CD2 4.42Å; R114-F116 HydrophobicContact CG-CE1 4.38Å; R114-F116 HydrophobicContact CG-CE2 3.89Å; R114-F116 HydrophobicContact CG-CZ 3.88Å; R114-F122 VanDerWaalsContact CD-CD2 3.48Å; R114-F122 HydrophobicContact CG-CB 3.76Å; R114-F122 HydrophobicContact CG-CD2 3.72Å; R114-F122 HydrophobicContact CG-CG 3.86Å; R114-F122 VanDerWaalsContact NE-CE2 3.28Å; R114-F122 VanDerWaalsContact NH2-CE2 3.31Å; R114-E123 CarbonylContact C-O 3.57Å; R114-E123 WeakPolarHBondContact CA-O 3.38Å; R114-D124 WeakPolarHBondContact CB-OD1 3.4Å; R114-D124 WeakPolarHBondContact CG-OD1 3.42Å; R114-D124 IonicContact CZ-OD1 2.69Å; R114-D124 IonicContact CZ-OD2 3.41Å; R114-D124 IonicContact NE-OD1 3.4Å; R114-D124 PolarHBondContact NE-OD1 3.37Å; R114-D124 IonicContact NE-OD2 2.7Å; R114-D124 IonicContact NH2-OD1 3.32Å; R114-D124 PolarHBondContact NH2-OD1 3.03Å; R114-D124 IonicContact NH2-OD2 3.25Å; R114-D124 PolarHBondContact NH2-OD2 2.9Å
115R92.4Very high91.7Very high17 Ų1749.4 Ų49.46%0.06427%0.268CS..EExtended strand (participates in β ladder)trans-100.7119.9175.8-65.8176.3174.5167.1-4110T60 T61 Y63 E68 I113 F122 E123T60-R115 HydrophobicContact CG2-CB 4.33Å; T60-R115 VanDerWaalsContact OG1-CD 3.27Å; T60-R115 WeakPolarHBondContact OG1-CD 3.38Å; T60-R115 PolarHBondContact OG1-NH1 3.39Å; T61-R115 PolarHBondContact O-NH1 3Å; Y63-R115 PolarHBondContact O-NH2 3.05Å; E68-R115 IonicContact OE1-CZ 2.9Å; E68-R115 IonicContact OE1-NE 2.8Å; E68-R115 PolarHBondContact OE1-NE 3.47Å; E68-R115 IonicContact OE1-NH2 3.72Å; E68-R115 PolarHBondContact OE1-NH2 3.03Å; E68-R115 VanDerWaalsContact OE1-NH2 3.11Å; E68-R115 IonicContact OE2-CZ 3.6Å; E68-R115 IonicContact OE2-NE 3.2Å; E68-R115 IonicContact OE2-NH2 2.72Å; E68-R115 PolarHBondContact OE2-NH2 2.92Å; I113-R115 HydrophobicContact CG2-CG 4.16Å; R115-F122 CarbonylContact O-C 3.48Å; R115-F122 WeakPolarHBondContact O-CA 3.47Å; R115-F122 VanDerWaalsContact O-CB 3.3Å; R115-F122 WeakPolarHBondContact O-CB 3.45Å; R115-E123 PolarHBondContact N-O 3.39Å; R115-E123 PolarHBondContact O-N 3.48Å
116F90.7Very high91.6Very high69 Ų6943 Ų4330%0.30325%0.25SC..EExtended strand (participates in β ladder)trans-84.7139.9176.1-65.2-88.6000111.1G32 T34 R114 F122G32-F116 PolarHBondContact O-N 2.73Å; T34-F116 HydrophobicContact CG2-CE2 3.85Å; T34-F116 HydrophobicContact CG2-CZ 4.19Å; T34-F116 WeakPolarHBondContact OG1-CE2 3.34Å; R114-F116 HydrophobicContact CG-CD2 4.42Å; R114-F116 HydrophobicContact CG-CE1 4.38Å; R114-F116 HydrophobicContact CG-CE2 3.89Å; R114-F116 HydrophobicContact CG-CZ 3.88Å; F116-F122 HydrophobicContact CD1-CB 3.81Å; F116-F122 HydrophobicContact CD1-CD1 4.34Å; F116-F122 HydrophobicContact CD1-CG 4.45Å; F116-F122 HydrophobicContact CE1-CB 4.1Å; F116-F122 HydrophobicContact CE1-CD1 4.06Å; F116-F122 HydrophobicContact CE1-CG 4.3Å; F116-F122 HydrophobicContact CG-CB 4.31Å
117L89.5Confident91.6Very high40 Ų4040.8 Ų40.821%0.20923%0.231CC..PPolyproline II helixtrans-98.9156175.5-66.8-179000109.7V53 T60 D119 G120 S121 E123V53-L117 HydrophobicContact CG2-CD1 4.25Å; T60-L117 HydrophobicContact CG2-CD2 3.86Å; L117-D119 VanDerWaalsContact CB-OD1 3.25Å; L117-D119 WeakPolarHBondContact CB-OD1 3.39Å; L117-D119 PolarHBondContact O-N 3.34Å; L117-D119 VanDerWaalsContact O-N 3.09Å; L117-G120 PolarHBondContact O-N 3.4Å; L117-S121 WeakPolarHBondContact CD1-OG 3.47Å; L117-S121 PolarHBondContact N-O 3.44Å; L117-E123 HydrophobicContact CD1-CG 4.43Å
118P88.3Confident91.6Very high142 Ų14242.5 Ų42.592%0.92224%0.24SC*.THydrogen-bonded Turntrans-64.3-16-175.425.4-35.9000114.3G120P118-G120 VanDerWaalsContact C-N 3.27Å
119D85.6Confident91.5Very high124 Ų12439.7 Ų39.766%0.66323%0.229SC*.THydrogen-bonded Turntrans-84.40.1173.768.7-15.8000113.3L117 S121L117-D119 VanDerWaalsContact CB-OD1 3.25Å; L117-D119 WeakPolarHBondContact CB-OD1 3.39Å; L117-D119 PolarHBondContact O-N 3.34Å; L117-D119 VanDerWaalsContact O-N 3.09Å; D119-S121 VanDerWaalsContact C-N 3.32Å; D119-S121 VanDerWaalsContact CG-OG 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 3.46Å; D119-S121 PolarHBondContact OD1-N 2.9Å; D119-S121 PolarHBondContact OD1-OG 3.26Å; D119-S121 PolarHBondContact OD2-OG 3.41Å
120G84.6Confident91.5Very high49 Ų4939.7 Ų39.751%0.50523%0.228SC..SBendtrans85.2-2-177.700000114.4L117 P118L117-G120 PolarHBondContact O-N 3.4Å; P118-G120 VanDerWaalsContact C-N 3.27Å
121S87.9Confident91.6Very high15 Ų1541.2 Ų41.211%0.10523%0.233CC..  trans-74.9170.1168.672.40000110.8L117 D119L117-S121 WeakPolarHBondContact CD1-OG 3.47Å; L117-S121 PolarHBondContact N-O 3.44Å; D119-S121 VanDerWaalsContact C-N 3.32Å; D119-S121 VanDerWaalsContact CG-OG 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 3.46Å; D119-S121 PolarHBondContact OD1-N 2.9Å; D119-S121 PolarHBondContact OD1-OG 3.26Å; D119-S121 PolarHBondContact OD2-OG 3.41Å
122F89.7Confident91.6Very high6 Ų644 Ų443%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-147158177.758.6-93.6000113.1M49 A50 P52 V53 R114 R115 F116M49-F122 HydrophobicContact CB-CE1 4.04Å; M49-F122 HydrophobicContact SD-CE1 4.13Å; A50-F122 WeakPolarHBondContact O-CE1 3.5Å; A50-F122 WeakPolarHBondContact O-CZ 3.3Å; P52-F122 WeakPolarHBondContact CA-O 3.08Å; P52-F122 HydrophobicContact CB-CD2 4.14Å; P52-F122 HydrophobicContact CB-CE2 3.65Å; P52-F122 HydrophobicContact CB-CZ 4.45Å; P52-F122 HydrophobicContact CG-CE2 4.3Å; V53-F122 PolarHBondContact N-O 3.04Å; R114-F122 VanDerWaalsContact CD-CD2 3.48Å; R114-F122 HydrophobicContact CG-CB 3.76Å; R114-F122 HydrophobicContact CG-CD2 3.72Å; R114-F122 HydrophobicContact CG-CG 3.86Å; R114-F122 VanDerWaalsContact NE-CE2 3.28Å; R114-F122 VanDerWaalsContact NH2-CE2 3.31Å; R115-F122 CarbonylContact O-C 3.48Å; R115-F122 WeakPolarHBondContact O-CA 3.47Å; R115-F122 VanDerWaalsContact O-CB 3.3Å; R115-F122 WeakPolarHBondContact O-CB 3.45Å; F116-F122 HydrophobicContact CD1-CB 3.81Å; F116-F122 HydrophobicContact CD1-CD1 4.34Å; F116-F122 HydrophobicContact CD1-CG 4.45Å; F116-F122 HydrophobicContact CE1-CB 4.1Å; F116-F122 HydrophobicContact CE1-CD1 4.06Å; F116-F122 HydrophobicContact CE1-CG 4.3Å; F116-F122 HydrophobicContact CG-CB 4.31Å
123E92.1Very high91.1Very high0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-115.5123.7175.4-62179-172.900109.9V53 R58 V59 T60 R114 R115 L117 W125V53-E123 HydrophobicContact CB-CG 4.1Å; V53-E123 HydrophobicContact CG2-CG 4.41Å; R58-E123 VanDerWaalsContact CA-OE1 3.31Å; R58-E123 WeakPolarHBondContact CA-OE1 3.45Å; R58-E123 HydrophobicContact CB-CG 4.44Å; R58-E123 HydrophobicContact CG-CB 4.47Å; R58-E123 HydrophobicContact CG-CG 4.08Å; V59-E123 PolarHBondContact N-OE1 3.35Å; T60-E123 WeakPolarHBondContact CB-OE2 3.34Å; T60-E123 WeakPolarHBondContact CG2-OE2 3.39Å; T60-E123 PolarHBondContact N-OE1 3.06Å; T60-E123 PolarHBondContact N-OE2 2.64Å; T60-E123 PolarHBondContact OG1-OE2 2.79Å; R114-E123 CarbonylContact C-O 3.57Å; R114-E123 WeakPolarHBondContact CA-O 3.38Å; R115-E123 PolarHBondContact N-O 3.39Å; R115-E123 PolarHBondContact O-N 3.48Å; L117-E123 HydrophobicContact CD1-CG 4.43Å; E123-W125 PolarHBondContact OE2-NE1 2.79Å
124D92.6Very high90Very high32 Ų3256.7 Ų56.717%0.17131%0.311CS..EExtended strand (participates in β ladder)trans-90.8114172.8-74.6-12.4000109.5R58 I112 R114R58-D124 PolarHBondContact NH2-O 2.81Å; I112-D124 HydrophobicContact CG2-CB 3.82Å; R114-D124 WeakPolarHBondContact CB-OD1 3.4Å; R114-D124 WeakPolarHBondContact CG-OD1 3.42Å; R114-D124 IonicContact CZ-OD1 2.69Å; R114-D124 IonicContact CZ-OD2 3.41Å; R114-D124 IonicContact NE-OD1 3.4Å; R114-D124 PolarHBondContact NE-OD1 3.37Å; R114-D124 IonicContact NE-OD2 2.7Å; R114-D124 IonicContact NH2-OD1 3.32Å; R114-D124 PolarHBondContact NH2-OD1 3.03Å; R114-D124 IonicContact NH2-OD2 3.25Å; R114-D124 PolarHBondContact NH2-OD2 2.9Å
125W93.6Very high89.8Confident23 Ų2359.3 Ų59.39%0.08733%0.325CS..EExtended strand (participates in β ladder)trans-107.7116.9176.7-72.584.4000110R58 T60 P62 I112 I113 E123 E129 L130R58-W125 HydrophobicContact CB-CZ2 4.06Å; R58-W125 HydrophobicContact CG-CZ2 4.44Å; T60-W125 PolarHBondContact OG1-NE1 2.64Å; P62-W125 HydrophobicContact CB-CH2 4.27Å; P62-W125 HydrophobicContact CB-CZ3 4.33Å; I112-W125 CarbonylContact C-O 3.59Å; I112-W125 WeakPolarHBondContact CA-O 3.48Å; I113-W125 PolarHBondContact N-O 2.85Å; I113-W125 PolarHBondContact O-N 3.32Å; E123-W125 PolarHBondContact OE2-NE1 2.79Å; W125-E129 WeakPolarHBondContact CA-OE1 3.44Å; W125-E129 HydrophobicContact CE3-CG 4.1Å; W125-L130 HydrophobicContact CB-CD1 4.07Å; W125-L130 HydrophobicContact CB-CD2 4.19Å; W125-L130 HydrophobicContact CB-CG 4.18Å; W125-L130 HydrophobicContact CD2-CD2 3.83Å; W125-L130 HydrophobicContact CE3-CD2 3.46Å; W125-L130 VanDerWaalsContact CE3-CD2 3.46Å; W125-L130 HydrophobicContact CE3-CG 4.18Å; W125-L130 HydrophobicContact CG-CD2 4.16Å; W125-L130 HydrophobicContact CZ3-CD2 4.09Å
126S93.2Very high89.7Confident37 Ų3761.5 Ų61.526%0.25934%0.339SS..EExtended strand (participates in β ladder)trans-66.4138.4168.5-57.30000108.6D128 E129S126-D128 WeakPolarHBondContact CB-OD1 3.31Å; S126-D128 PolarHBondContact O-N 3.06Å; S126-D128 VanDerWaalsContact O-N 3.14Å; S126-E129 PolarHBondContact N-OE1 2.96Å; S126-E129 WeakPolarHBondContact O-CG 3.44Å; S126-E129 PolarHBondContact O-N 3.42Å; S126-E129 VanDerWaalsContact O-N 3.16Å
127L93.5Very high89.6Confident2 Ų261.1 Ų61.11%0.0134%0.341CS..G310 helixtrans-61-27.6-177.5-176.765.2000112.3L64 V72 L104 I109 I111 I113 L130L64-L127 HydrophobicContact CD1-CD1 3.77Å; L64-L127 HydrophobicContact CD2-CD1 3.98Å; L64-L127 HydrophobicContact CG-CD1 4.5Å; V72-L127 HydrophobicContact CG1-CD1 4.37Å; V72-L127 HydrophobicContact CG1-CD2 3.53Å; V72-L127 HydrophobicContact CG2-CD1 4.23Å; L104-L127 HydrophobicContact CD1-CD1 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.9Å; L104-L127 HydrophobicContact CD1-CG 4.3Å; I109-L127 HydrophobicContact CB-CD2 3.65Å; I109-L127 HydrophobicContact CD1-CD2 4.32Å; I109-L127 HydrophobicContact CG1-CD2 4.5Å; I109-L127 HydrophobicContact CG2-CD2 3.81Å; I111-L127 VanDerWaalsContact O-CB 3.31Å; I111-L127 WeakPolarHBondContact O-CB 3.41Å; I111-L127 PolarHBondContact O-N 3.13Å; I111-L127 VanDerWaalsContact O-N 3.08Å; I113-L127 HydrophobicContact CD1-CD1 3.99Å; L127-L130 HydrophobicContact CD1-CD1 4.47Å; L127-L130 PolarHBondContact O-N 3.5Å
128D93.6Very high89.6Confident102 Ų10262.3 Ų62.355%0.54535%0.349SS..G310 helixtrans-71.2-24179.368.1-24.2000115.3N107 S126N107-D128 VanDerWaalsContact ND2-CA 3.34Å; N107-D128 WeakPolarHBondContact ND2-CA 3.28Å; N107-D128 PolarHBondContact ND2-O 3Å; N107-D128 VanDerWaalsContact OD1-CA 3.26Å; N107-D128 WeakPolarHBondContact OD1-CA 3.38Å; S126-D128 WeakPolarHBondContact CB-OD1 3.31Å; S126-D128 PolarHBondContact O-N 3.06Å; S126-D128 VanDerWaalsContact O-N 3.14Å
129E93.9Very high89.7Confident63 Ų6357.3 Ų57.329%0.29431%0.313SS..G310 helixtrans-87.7-6.1174.358.5178.1-157.900113.2K55 R58 W125 S126K55-E129 IonicContact NZ-OE2 3.86Å; K55-E129 PolarHBondContact NZ-OE2 3.11Å; R58-E129 IonicContact CZ-OE1 3.78Å; R58-E129 IonicContact NH1-OE1 2.87Å; R58-E129 PolarHBondContact NH1-OE1 2.8Å; R58-E129 IonicContact NH1-OE2 3.84Å; R58-E129 IonicContact NH2-OE1 3.95Å; R58-E129 PolarHBondContact NH2-OE1 3.39Å; W125-E129 WeakPolarHBondContact CA-OE1 3.44Å; W125-E129 HydrophobicContact CE3-CG 4.1Å; S126-E129 PolarHBondContact N-OE1 2.96Å; S126-E129 WeakPolarHBondContact O-CG 3.44Å; S126-E129 PolarHBondContact O-N 3.42Å; S126-E129 VanDerWaalsContact O-N 3.16Å
130L94.7Very high90Very high9 Ų952.9 Ų52.95%0.04729%0.289CS..SBendtrans-89.8139.9179.8-70.8172.4000112.6L64 I113 W125 L127 L132L64-L130 HydrophobicContact CB-CB 4.22Å; L64-L130 HydrophobicContact CD1-CD1 3.82Å; I113-L130 HydrophobicContact CD1-CD1 3.64Å; W125-L130 HydrophobicContact CB-CD1 4.07Å; W125-L130 HydrophobicContact CB-CD2 4.19Å; W125-L130 HydrophobicContact CB-CG 4.18Å; W125-L130 HydrophobicContact CD2-CD2 3.83Å; W125-L130 HydrophobicContact CE3-CD2 3.46Å; W125-L130 VanDerWaalsContact CE3-CD2 3.46Å; W125-L130 HydrophobicContact CE3-CG 4.18Å; W125-L130 HydrophobicContact CG-CD2 4.16Å; W125-L130 HydrophobicContact CZ3-CD2 4.09Å; L127-L130 HydrophobicContact CD1-CD1 4.47Å; L127-L130 PolarHBondContact O-N 3.5Å; L130-L132 PolarHBondContact O-N 2.86Å
131I95.7Very high90.3Very high81 Ų8153.1 Ų53.142%0.41527%0.274SS..EExtended strand (participates in β ladder)trans-81.3119.3175.6-57.1166.8000108.8P62 Y63 L64 T133P62-I131 HydrophobicContact CB-CD1 4.39Å; P62-I131 HydrophobicContact CG-CD1 4.43Å; P62-I131 WeakPolarHBondContact O-CB 3.32Å; P62-I131 PolarHBondContact O-N 3.38Å; Y63-I131 CarbonylContact C-O 3.6Å; Y63-I131 WeakPolarHBondContact CA-O 3.28Å; Y63-I131 HydrophobicContact CD1-CB 3.69Å; Y63-I131 HydrophobicContact CD1-CD1 4.39Å; Y63-I131 HydrophobicContact CD1-CG2 3.66Å; Y63-I131 HydrophobicContact CE1-CB 3.96Å; Y63-I131 HydrophobicContact CE1-CD1 4.01Å; Y63-I131 HydrophobicContact CE1-CG2 3.62Å; Y63-I131 HydrophobicContact CG-CB 4.41Å; L64-I131 PolarHBondContact N-O 2.68Å; I131-T133 PolarHBondContact O-N 2.69Å
132L92.3Very high90.5Very high64 Ų6456.1 Ų56.134%0.33529%0.287SS..EExtended strand (participates in β ladder)trans-68.9126175.6-56-177.7000109.9L64 L104 L130L64-L132 HydrophobicContact CB-CD2 4.21Å; L64-L132 HydrophobicContact CD2-CD2 3.41Å; L64-L132 VanDerWaalsContact CD2-CD2 3.41Å; L64-L132 HydrophobicContact CG-CD2 4.45Å; L104-L132 HydrophobicContact CD1-CD2 3.96Å; L104-L132 HydrophobicContact CG-CD1 4.36Å; L104-L132 HydrophobicContact CG-CD2 4.39Å; L130-L132 PolarHBondContact O-N 2.86Å
133T83.4Confident90.6Very high63 Ų6360.3 Ų60.339%0.38731%0.309SS..PPolyproline II helixtrans-90.7131.1164.7460000108.7Y63 L64 I131Y63-T133 HydrophobicContact CD1-CG2 3.77Å; Y63-T133 HydrophobicContact CG-CG2 4.35Å; L64-T133 PolarHBondContact O-OG1 2.79Å; I131-T133 PolarHBondContact O-N 2.69Å
134E68.5Low90.5Very high247 Ų24765.7 Ų65.7100%1.15434%0.337SS*.  trans-71.30177.9-67.5-167.5160.100112.1

Retrieved 134 of 134 residues in 258.2 ms (Link to these results)