A0A3Q0KPJ1_SCHMA Loading...

Hypoxanthine-guanine phosphoribosyltransferase,putative

AlphaFold DB , UniProt , Accession A0A3Q0KPJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 227 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M33.5Very low54Low244 Ų244116.7 Ų116.7100%1.20263%0.634SS**  0107.90-75.2172.2174.400106.9S3M1-S3 PolarHBondContact O-N 3.23Å
2A29.2Very low57.2Low95 Ų95115.3 Ų115.379%0.78562%0.624SS**  trans-67.2115.1171.200000106.8R4A2-R4 VanDerWaalsContact C-N 3.35Å; A2-R4 PolarHBondContact O-N 3.33Å
3S34.5Very low59.8Low107 Ų107107.4 Ų107.475%0.74858%0.58SS**  trans-55.3106.7162.8490000105.7M1 E5M1-S3 PolarHBondContact O-N 3.23Å; S3-E5 PolarHBondContact O-N 2.98Å
4R42.2Very low61.7Low163 Ų163106.8 Ų106.862%0.61558%0.577SS**  trans-63.697.6168.9-70.3-177.1178.6-147.13.5104.6A2 G6A2-R4 VanDerWaalsContact C-N 3.35Å; A2-R4 PolarHBondContact O-N 3.33Å; R4-G6 PolarHBondContact O-N 3.12Å
5E43.7Very low63.2Low177 Ų177106.4 Ų106.483%0.82757%0.574SS**  trans-51.3112.3162.5-78.5-179.6156.400104.9S3 K7S3-E5 PolarHBondContact O-N 2.98Å; E5-K7 VanDerWaalsContact C-N 3.32Å; E5-K7 PolarHBondContact O-N 3.02Å
6G46Very low64.7Low48 Ų48105.9 Ų105.950%0.49558%0.582SS.*  trans-58.397.2-175.600000109.1R4 S8R4-G6 PolarHBondContact O-N 3.12Å; G6-S8 PolarHBondContact O-N 3.41Å
7K47.2Very low66.3Low188 Ų188103.4 Ų103.482%0.81756%0.562SS**  trans-72.387.7161.4-86.3-172.4173.9-1760105.9E5E5-K7 VanDerWaalsContact C-N 3.32Å; E5-K7 PolarHBondContact O-N 3.02Å
8S55.5Low67.6Low34 Ų34106.9 Ų106.924%0.23857%0.574CS.*  trans-125.586169.7169.80000106.7G6 C10 V186G6-S8 PolarHBondContact O-N 3.41Å; S8-C10 VanDerWaalsContact C-N 3.26Å; S8-C10 PolarHBondContact O-N 2.85Å; S8-V186 PolarHBondContact OG-N 3.05Å
9D78.3Confident69Low145 Ų145102.4 Ų102.478%0.77556%0.555SS**  trans-58.698162.3-73.4-24.1000106.8R48D9-R48 PolarHBondContact O-NH2 3.46Å
10C90.9Very high70.4Confident31 Ų31102.7 Ų102.721%0.20955%0.548CS..  trans-107.1161.9173.367.80000109.3S8 I12 V186S8-C10 VanDerWaalsContact C-N 3.26Å; S8-C10 PolarHBondContact O-N 2.85Å; C10-I12 PolarHBondContact O-N 2.74Å; C10-V186 HydrophobicContact CB-CB 4.09Å; C10-V186 HydrophobicContact CB-CG1 4.12Å; C10-V186 WeakPolarHBondContact CB-O 3.24Å
11I93.3Very high71.6Confident52 Ų52100.3 Ų100.327%0.26754%0.54SS..EExtended strand (participates in β ladder)trans-81.1117.3170.9-68.5168.2000107.5F13 M44 R48 G187 F188 E189I11-F13 HydrophobicContact CG2-CD2 4.41Å; I11-F13 HydrophobicContact CG2-CE1 4.26Å; I11-F13 HydrophobicContact CG2-CE2 3.86Å; I11-F13 HydrophobicContact CG2-CZ 3.76Å; I11-M44 HydrophobicContact CD1-CE 4.37Å; I11-M44 HydrophobicContact CG2-CE 4.46Å; I11-R48 HydrophobicContact CD1-CB 4.18Å; I11-R48 HydrophobicContact CD1-CG 4.23Å; I11-G187 PolarHBondContact N-O 3.24Å; I11-G187 VanDerWaalsContact N-O 3.13Å; I11-F188 HydrophobicContact CB-CD1 3.75Å; I11-F188 HydrophobicContact CB-CE1 4.09Å; I11-F188 HydrophobicContact CD1-CD1 4.24Å; I11-F188 HydrophobicContact CD1-CE1 3.68Å; I11-F188 HydrophobicContact CD1-CZ 4.49Å; I11-F188 HydrophobicContact CG1-CE1 4.43Å; I11-F188 HydrophobicContact CG2-CD1 4.08Å; I11-F188 HydrophobicContact CG2-CE1 4.39Å; I11-F188 CarbonylContact O-C 3.57Å; I11-F188 WeakPolarHBondContact O-CA 3.45Å; I11-E189 PolarHBondContact O-N 3.23Å
12I91.9Very high74.4Confident99 Ų9989.2 Ų89.251%0.50849%0.487SS..EExtended strand (participates in β ladder)trans-97.3126.2-179.6-58.2170.5000108.9C10 E189C10-I12 PolarHBondContact O-N 2.74Å; I12-E189 HydrophobicContact CG1-CB 4.17Å; I12-E189 HydrophobicContact CG2-CB 4.48Å; I12-E189 WeakPolarHBondContact CG2-OE1 3.15Å
13F91.5Very high77.4Confident13 Ų1392.4 Ų92.46%0.05748%0.483CS..PPolyproline II helixtrans-102.6125.1169.7-62.8-79000109.6I11 Y17 I40 M44 F188 E189 V190 P191I11-F13 HydrophobicContact CG2-CD2 4.41Å; I11-F13 HydrophobicContact CG2-CE1 4.26Å; I11-F13 HydrophobicContact CG2-CE2 3.86Å; I11-F13 HydrophobicContact CG2-CZ 3.76Å; F13-Y17 HydrophobicContact CB-CD1 4Å; F13-Y17 HydrophobicContact CB-CG 4.28Å; F13-Y17 AromaticContact CD1-CD1 3.43Å; F13-Y17 HydrophobicContact CD1-CD1 3.43Å; F13-Y17 VanDerWaalsContact CD1-CD1 3.43Å; F13-Y17 HydrophobicContact CD1-CD2 4.27Å; F13-Y17 AromaticContact CD1-CE1 3.39Å; F13-Y17 HydrophobicContact CD1-CE1 3.39Å; F13-Y17 HydrophobicContact CD1-CE2 4.25Å; F13-Y17 AromaticContact CD1-CG 3.88Å; F13-Y17 HydrophobicContact CD1-CG 3.88Å; F13-Y17 AromaticContact CD1-CZ 3.82Å; F13-Y17 HydrophobicContact CE1-CD1 4.17Å; F13-Y17 AromaticContact CE1-CE1 3.64Å; F13-Y17 HydrophobicContact CE1-CE1 3.64Å; F13-Y17 HydrophobicContact CE1-CE2 4.5Å; F13-Y17 AromaticContact CE1-CZ 3.82Å; F13-Y17 AromaticContact CG-CD1 3.96Å; F13-Y17 HydrophobicContact CG-CD1 3.96Å; F13-Y17 HydrophobicContact CG-CE1 4.21Å; F13-Y17 HydrophobicContact CG-CG 4.5Å; F13-I40 HydrophobicContact CD2-CD1 4.48Å; F13-I40 HydrophobicContact CE2-CD1 3.68Å; F13-I40 HydrophobicContact CE2-CG1 3.67Å; F13-I40 HydrophobicContact CZ-CD1 4.34Å; F13-I40 HydrophobicContact CZ-CG1 3.9Å; F13-M44 HydrophobicContact CE1-SD 4.42Å; F13-M44 HydrophobicContact CZ-CE 4.46Å; F13-M44 HydrophobicContact CZ-SD 3.91Å; F13-F188 HydrophobicContact CE2-CB 4.38Å; F13-F188 AromaticContact CE2-CD1 3.68Å; F13-F188 HydrophobicContact CE2-CD1 3.68Å; F13-F188 HydrophobicContact CE2-CE1 4.43Å; F13-F188 HydrophobicContact CE2-CG 4.43Å; F13-F188 HydrophobicContact CZ-CD1 4.25Å; F13-E189 WeakPolarHBondContact CD2-O 3.41Å; F13-E189 PolarHBondContact N-O 3.22Å; F13-V190 HydrophobicContact CD2-CG1 4.21Å; F13-P191 HydrophobicContact CB-CG 4.42Å
14D86.1Confident80.3Confident99 Ų9992.6 Ų92.653%0.52948%0.476SS..PPolyproline II helixtrans-65156.2175.4-74.9-52000112.2S16 Y17 K173D14-S16 PolarHBondContact O-N 3.19Å; D14-S16 VanDerWaalsContact O-N 3.13Å; D14-Y17 WeakPolarHBondContact O-CB 3.47Å; D14-Y17 PolarHBondContact O-N 3.47Å; D14-K173 IonicContact OD1-NZ 2.64Å
15D84.4Confident82.9Confident101 Ų10187.4 Ų87.454%0.5446%0.458SS..THydrogen-bonded Turntrans-64.7-20.1179.5-58.7-64.8000112.5Y17 K173D15-Y17 VanDerWaalsContact C-N 3.3Å; D15-K173 WeakPolarHBondContact OD2-CD 3.44Å; D15-K173 WeakPolarHBondContact OD2-CE 3.46Å; D15-K173 IonicContact OD2-NZ 2.82Å; D15-K173 PolarHBondContact OD2-NZ 3.47Å
16S87.4Confident85.3Confident99 Ų9985.1 Ų85.169%0.69246%0.456SS*.THydrogen-bonded Turntrans-84.81.1172.4630000113.6D14 E18D14-S16 PolarHBondContact O-N 3.19Å; D14-S16 VanDerWaalsContact O-N 3.13Å; S16-E18 PolarHBondContact O-N 2.94Å
17Y90.9Very high87.6Confident62 Ų6283.7 Ų83.724%0.24344%0.437CS..  trans-73.2113.1179.4-178.4-111.5000110.5F13 D14 D15 Y20 L39F13-Y17 HydrophobicContact CB-CD1 4Å; F13-Y17 HydrophobicContact CB-CG 4.28Å; F13-Y17 AromaticContact CD1-CD1 3.43Å; F13-Y17 HydrophobicContact CD1-CD1 3.43Å; F13-Y17 VanDerWaalsContact CD1-CD1 3.43Å; F13-Y17 HydrophobicContact CD1-CD2 4.27Å; F13-Y17 AromaticContact CD1-CE1 3.39Å; F13-Y17 HydrophobicContact CD1-CE1 3.39Å; F13-Y17 HydrophobicContact CD1-CE2 4.25Å; F13-Y17 AromaticContact CD1-CG 3.88Å; F13-Y17 HydrophobicContact CD1-CG 3.88Å; F13-Y17 AromaticContact CD1-CZ 3.82Å; F13-Y17 HydrophobicContact CE1-CD1 4.17Å; F13-Y17 AromaticContact CE1-CE1 3.64Å; F13-Y17 HydrophobicContact CE1-CE1 3.64Å; F13-Y17 HydrophobicContact CE1-CE2 4.5Å; F13-Y17 AromaticContact CE1-CZ 3.82Å; F13-Y17 AromaticContact CG-CD1 3.96Å; F13-Y17 HydrophobicContact CG-CD1 3.96Å; F13-Y17 HydrophobicContact CG-CE1 4.21Å; F13-Y17 HydrophobicContact CG-CG 4.5Å; D14-Y17 WeakPolarHBondContact O-CB 3.47Å; D14-Y17 PolarHBondContact O-N 3.47Å; D15-Y17 VanDerWaalsContact C-N 3.3Å; Y17-Y20 WeakPolarHBondContact OH-CE2 3.38Å; Y17-L39 HydrophobicContact CD1-CD2 4.24Å; Y17-L39 HydrophobicContact CE1-CD2 4.47Å; Y17-L39 WeakPolarHBondContact CE1-O 3.27Å; Y17-L39 PolarHBondContact OH-O 2.84Å
18E90.4Very high89.8Confident168 Ų16877.1 Ų77.179%0.78541%0.414SS*.  trans-84.1-11.1-175.2-60.3-175165.100113.6S16 T37S16-E18 PolarHBondContact O-N 2.94Å; E18-T37 WeakPolarHBondContact O-CB 3.42Å; E18-T37 PolarHBondContact O-OG1 2.97Å
19G94.8Very high91.6Very high21 Ų2183.6 Ų83.622%0.21644%0.44CS..  trans68.7-146.4-173.900000113T37 I38G19-T37 WeakPolarHBondContact CA-OG1 3.41Å; G19-I38 CarbonylContact C-O 3.46Å; G19-I38 WeakPolarHBondContact CA-O 3.43Å
20Y96.6Very high92.3Very high107 Ų10780.8 Ų80.842%0.4243%0.43SS..BIsolated β-bridgetrans-126.6141.9-179-53.8-88.4000111.4Y17 A22 F25 T37 I38 P41Y17-Y20 WeakPolarHBondContact OH-CE2 3.38Å; Y20-A22 PolarHBondContact O-N 2.93Å; Y20-F25 HydrophobicContact CD2-CZ 4.47Å; Y20-F25 HydrophobicContact CG-CE2 4.19Å; Y20-F25 HydrophobicContact CG-CZ 4.31Å; Y20-T37 PolarHBondContact N-OG1 2.75Å; Y20-T37 PolarHBondContact O-OG1 3.3Å; Y20-I38 PolarHBondContact N-O 3.5Å; Y20-I38 PolarHBondContact O-N 2.55Å; Y20-P41 HydrophobicContact CD2-CG 3.7Å; Y20-P41 HydrophobicContact CE2-CG 3.58Å
21S94.7Very high92.5Very high54 Ų5480.1 Ų80.138%0.37842%0.423SS..  trans-57.6131.1175.7-175.20000111.9K23 N24S21-K23 PolarHBondContact O-N 2.79Å; S21-K23 WeakPolarHBondContact OG-CD 3.41Å; S21-K23 VanDerWaalsContact OG-CG 3.29Å; S21-K23 WeakPolarHBondContact OG-CG 3.37Å; S21-N24 WeakPolarHBondContact O-CB 3.4Å; S21-N24 PolarHBondContact O-N 2.89Å
22A92.6Very high92.5Very high10 Ų1082.1 Ų82.18%0.08343%0.431CS..G310 helixtrans-53.2-37.6178.200000113.5Y20 N24 F25 L27 I35Y20-A22 PolarHBondContact O-N 2.93Å; A22-N24 PolarHBondContact O-N 3.17Å; A22-F25 PolarHBondContact O-N 3.45Å; A22-L27 HydrophobicContact CB-CD1 3.78Å; A22-I35 HydrophobicContact CB-CB 4.42Å; A22-I35 HydrophobicContact CB-CG2 4.23Å
23K92.4Very high92.7Very high162 Ų16282.8 Ų82.870%0.70443%0.431SS*.G310 helixtrans-54.7-18.9175.982.1-167.2177.4176.60115.7S21 F25S21-K23 PolarHBondContact O-N 2.79Å; S21-K23 WeakPolarHBondContact OG-CD 3.41Å; S21-K23 VanDerWaalsContact OG-CG 3.29Å; S21-K23 WeakPolarHBondContact OG-CG 3.37Å; K23-F25 VanDerWaalsContact C-N 3.29Å
24N95.4Very high92.9Very high111 Ų11182.2 Ų82.259%0.59443%0.428SS*.G310 helixtrans-88.91.3179.1-62-27.8000112.3S21 A22S21-N24 WeakPolarHBondContact O-CB 3.4Å; S21-N24 PolarHBondContact O-N 2.89Å; A22-N24 PolarHBondContact O-N 3.17Å
25F96.4Very high93.4Very high54 Ų5478 Ų7824%0.23741%0.405CS..SBendtrans-130.2159.1-177-65.9-92.9000110.5Y20 A22 K23 I38 P41 H211Y20-F25 HydrophobicContact CD2-CZ 4.47Å; Y20-F25 HydrophobicContact CG-CE2 4.19Å; Y20-F25 HydrophobicContact CG-CZ 4.31Å; A22-F25 PolarHBondContact O-N 3.45Å; K23-F25 VanDerWaalsContact C-N 3.29Å; F25-I38 HydrophobicContact CD2-CB 4.28Å; F25-I38 HydrophobicContact CD2-CG1 3.73Å; F25-I38 HydrophobicContact CE2-CB 4.21Å; F25-I38 HydrophobicContact CE2-CG1 4.16Å; F25-I38 HydrophobicContact CE2-CG2 4.35Å; F25-I38 HydrophobicContact CG-CG1 4.14Å; F25-I38 HydrophobicContact CZ-CG2 4.34Å; F25-P41 HydrophobicContact CE1-CB 3.99Å; F25-P41 HydrophobicContact CE1-CG 4.19Å; F25-P41 HydrophobicContact CZ-CB 4.25Å; F25-P41 HydrophobicContact CZ-CG 3.93Å; F25-H211 AromaticContact CD1-CD2 3.7Å; F25-H211 AromaticContact CD1-NE2 3.29Å; F25-H211 VanDerWaalsContact CD1-NE2 3.29Å; F25-H211 WeakPolarHBondContact CD1-NE2 3.43Å; F25-H211 AromaticContact CG-NE2 3.97Å
26T94.8Very high93.9Very high130 Ų13076.4 Ų76.480%0.79840%0.402SS*.  trans-88.8113.4172.4-530000108.9
27L94.9Very high94.3Very high17 Ų1772.6 Ų72.69%0.08938%0.375CS..  trans-118.6153.5175.2-57.6178.7000109.9A22 E29 E32 I35 I38 L209A22-L27 HydrophobicContact CB-CD1 3.78Å; L27-E29 PolarHBondContact O-N 3.34Å; L27-E32 HydrophobicContact CB-CB 4.31Å; L27-E32 HydrophobicContact CB-CG 4.46Å; L27-E32 HydrophobicContact CD1-CG 4.49Å; L27-I35 HydrophobicContact CD1-CB 4.2Å; L27-I35 HydrophobicContact CD1-CG1 4.1Å; L27-I35 HydrophobicContact CD1-CG2 4.41Å; L27-I38 HydrophobicContact CD1-CD1 4.24Å; L27-I38 HydrophobicContact CD2-CD1 4.11Å; L27-L209 HydrophobicContact CD2-CD2 4.17Å
28P93.6Very high94.6Very high50 Ų5069.7 Ų69.733%0.32536%0.363SS..  trans-61.4134.8169.3-19.432.6000110.8P30 Y31 E32 L209P28-P30 VanDerWaalsContact C-N 3.28Å; P28-Y31 HydrophobicContact CB-CD2 4.03Å; P28-Y31 HydrophobicContact CG-CD2 4.1Å; P28-Y31 PolarHBondContact O-N 3.39Å; P28-E32 PolarHBondContact O-N 2.87Å; P28-E32 VanDerWaalsContact O-N 3.09Å; P28-L209 HydrophobicContact CG-CD2 4Å
29E93.2Very high94.9Very high171 Ų17161.9 Ų61.980%0.79933%0.327SS*.Hα-helixtrans-48.5-41.3177.3-177.4-174.6179.500113.5L27 Y31L27-E29 PolarHBondContact O-N 3.34Å; E29-Y31 PolarHBondContact O-N 2.95Å
30P92Very high95Very high85 Ų8560.9 Ų60.955%0.55232%0.317SS*.Hα-helixtrans-61-19.2179.1-25.736.3000115.2P28 H34P28-P30 VanDerWaalsContact C-N 3.28Å; P30-H34 PolarHBondContact O-CD2 2.97Å; P30-H34 VanDerWaalsContact O-CD2 3.29Å
31Y94.7Very high95.1Very high18 Ų1856.8 Ų56.87%0.07130%0.303CS..Hα-helixtrans-117.2-18.1-176-53.9-49.7000114.2P28 E29 K33 H34 I35 Q205 F206 E208 L209 F223P28-Y31 HydrophobicContact CB-CD2 4.03Å; P28-Y31 HydrophobicContact CG-CD2 4.1Å; P28-Y31 PolarHBondContact O-N 3.39Å; E29-Y31 PolarHBondContact O-N 2.95Å; Y31-K33 VanDerWaalsContact C-N 3.3Å; Y31-K33 PolarHBondContact O-N 2.94Å; Y31-H34 WeakPolarHBondContact O-CA 3.39Å; Y31-H34 WeakPolarHBondContact O-CB 3.47Å; Y31-H34 PolarHBondContact O-N 3.01Å; Y31-I35 PolarHBondContact O-N 2.76Å; Y31-Q205 HydrophobicContact CE1-CB 4.4Å; Y31-F206 AromaticContact CD1-CD1 3.48Å; Y31-F206 HydrophobicContact CD1-CD1 3.48Å; Y31-F206 VanDerWaalsContact CD1-CD1 3.48Å; Y31-F206 AromaticContact CD1-CE1 3.35Å; Y31-F206 HydrophobicContact CD1-CE1 3.35Å; Y31-F206 HydrophobicContact CD1-CG 4.32Å; Y31-F206 HydrophobicContact CD1-CZ 4.07Å; Y31-F206 HydrophobicContact CD2-CD1 4.25Å; Y31-F206 HydrophobicContact CE1-CD1 4.02Å; Y31-F206 HydrophobicContact CE1-CE1 4.12Å; Y31-F206 HydrophobicContact CE1-CG 4.44Å; Y31-F206 AromaticContact CG-CD1 3.6Å; Y31-F206 HydrophobicContact CG-CD1 3.6Å; Y31-F206 AromaticContact CG-CE1 3.74Å; Y31-F206 HydrophobicContact CG-CE1 3.74Å; Y31-E208 VanDerWaalsContact CE2-CD 3.41Å; Y31-E208 HydrophobicContact CE2-CG 4.14Å; Y31-E208 WeakPolarHBondContact CE2-OE1 3.41Å; Y31-E208 PolarHBondContact OH-OE1 3.48Å; Y31-L209 HydrophobicContact CD2-CD2 3.94Å; Y31-L209 HydrophobicContact CD2-CG 4.43Å; Y31-F223 HydrophobicContact CD1-CE2 4.21Å; Y31-F223 AromaticContact CD1-CZ 3.81Å; Y31-F223 HydrophobicContact CD1-CZ 3.81Å; Y31-F223 HydrophobicContact CE1-CE1 4.13Å; Y31-F223 AromaticContact CE1-CZ 3.87Å; Y31-F223 HydrophobicContact CE1-CZ 3.87Å
32E94.1Very high95.2Very high94 Ų9454.5 Ų54.544%0.43929%0.288SS..Hα-helixtrans-53.3-46.8-170.8-173.6-178.1172.600112.3L27 P28 H34 I35L27-E32 HydrophobicContact CB-CB 4.31Å; L27-E32 HydrophobicContact CB-CG 4.46Å; L27-E32 HydrophobicContact CD1-CG 4.49Å; P28-E32 PolarHBondContact O-N 2.87Å; P28-E32 VanDerWaalsContact O-N 3.09Å; E32-H34 PolarHBondContact O-N 3.33Å; E32-I35 PolarHBondContact O-N 2.87Å
33K95.3Very high95.4Very high113 Ų11355.5 Ų55.549%0.49130%0.299SS..THydrogen-bonded Turntrans-68.1-1217869.7174.7176.8116.40114.4Y31 N216 E218 E222Y31-K33 VanDerWaalsContact C-N 3.3Å; Y31-K33 PolarHBondContact O-N 2.94Å; K33-N216 PolarHBondContact O-ND2 3.15Å; K33-E218 IonicContact NZ-OE1 3.55Å; K33-E218 PolarHBondContact NZ-OE1 2.79Å; K33-E222 IonicContact NZ-OE2 3.83Å; K33-E222 PolarHBondContact NZ-OE2 2.83Å
34H96.6Very high95.6Very high0 Ų051 Ų510%028%0.282CS..THydrogen-bonded Turntrans-99.9-7.1-176.5-61.4-53000113.7P30 Y31 E32 F206 V215 N216 E218 G219 E222 F223P30-H34 PolarHBondContact O-CD2 2.97Å; P30-H34 VanDerWaalsContact O-CD2 3.29Å; Y31-H34 WeakPolarHBondContact O-CA 3.39Å; Y31-H34 WeakPolarHBondContact O-CB 3.47Å; Y31-H34 PolarHBondContact O-N 3.01Å; E32-H34 PolarHBondContact O-N 3.33Å; H34-F206 HydrophobicContact CB-CE1 4.13Å; H34-F206 HydrophobicContact CB-CZ 4.27Å; H34-V215 WeakPolarHBondContact O-CA 3.42Å; H34-N216 WeakPolarHBondContact CA-ND2 3.24Å; H34-N216 VanDerWaalsContact O-CG 3.24Å; H34-N216 PolarHBondContact O-N 3.24Å; H34-N216 PolarHBondContact O-OD1 3.31Å; H34-E218 IonicContact CE1-OE1 3.1Å; H34-G219 VanDerWaalsContact ND1-CA 3.31Å; H34-G219 WeakPolarHBondContact ND1-CA 3.46Å; H34-G219 PolarHBondContact ND1-N 3.31Å; H34-E222 IonicContact CE1-OE2 2.88Å; H34-E222 PolarHBondContact CE1-OE2 3.46Å; H34-E222 IonicContact NE2-OE1 3.15Å; H34-E222 IonicContact NE2-OE2 2.91Å; H34-E222 PolarHBondContact NE2-OE2 2.8Å; H34-E222 VanDerWaalsContact NE2-OE2 3.1Å; H34-F223 HydrophobicContact CB-CE2 4.46Å; H34-F223 AromaticContact CD2-CE2 3.46Å; H34-F223 VanDerWaalsContact CD2-CE2 3.46Å; H34-F223 WeakPolarHBondContact CD2-CE2 3.05Å; H34-F223 AromaticContact CG-CE2 3.91Å; H34-F223 AromaticContact NE2-CE2 3.88Å
35I97Very high95.7Very high10 Ų1045.8 Ų45.85%0.05125%0.254CS..EExtended strand (participates in β ladder)trans-94.4120.3177.9-59.9-46.4000109.6A22 L27 Y31 E32 I38 V196 F206 L209 C213A22-I35 HydrophobicContact CB-CB 4.42Å; A22-I35 HydrophobicContact CB-CG2 4.23Å; L27-I35 HydrophobicContact CD1-CB 4.2Å; L27-I35 HydrophobicContact CD1-CG1 4.1Å; L27-I35 HydrophobicContact CD1-CG2 4.41Å; Y31-I35 PolarHBondContact O-N 2.76Å; E32-I35 PolarHBondContact O-N 2.87Å; I35-I38 HydrophobicContact CG2-CD1 3.97Å; I35-V196 HydrophobicContact CD1-CG2 4.2Å; I35-F206 HydrophobicContact CD1-CD1 4.2Å; I35-F206 HydrophobicContact CD1-CE1 4.18Å; I35-L209 HydrophobicContact CD1-CD1 3.78Å; I35-L209 HydrophobicContact CG1-CD1 4.15Å; I35-C213 HydrophobicContact CD1-CB 3.85Å; I35-C213 HydrophobicContact CG1-CB 4.34Å; I35-C213 HydrophobicContact CG2-CB 3.84Å
36S94.5Very high95.7Very high68 Ų6850.7 Ų50.748%0.47627%0.271SS..EExtended strand (participates in β ladder)trans-77.2-42.4173.9530000111.6A214S36-A214 PolarHBondContact N-O 2.82Å; S36-A214 WeakPolarHBondContact OG-CB 3.28Å; S36-A214 PolarHBondContact OG-O 2.64Å; S36-A214 VanDerWaalsContact OG-O 3.07Å
37T95.9Very high95.8Very high20 Ų2048.3 Ų48.312%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-155.9151.6180-173.70000112.2E18 G19 Y20 L39 C213 A214E18-T37 WeakPolarHBondContact O-CB 3.42Å; E18-T37 PolarHBondContact O-OG1 2.97Å; G19-T37 WeakPolarHBondContact CA-OG1 3.41Å; Y20-T37 PolarHBondContact N-OG1 2.75Å; Y20-T37 PolarHBondContact O-OG1 3.3Å; T37-L39 HydrophobicContact CG2-CD2 3.82Å; T37-L39 HydrophobicContact CG2-CG 4.11Å; T37-C213 CarbonylContact O-C 3.52Å; T37-C213 WeakPolarHBondContact O-CA 3.3Å; T37-A214 HydrophobicContact CG2-CB 3.82Å; T37-A214 PolarHBondContact O-N 3.48Å
38I97.3Very high95.9Very high0 Ų048.4 Ų48.40%026%0.258CS..EExtended strand (participates in β ladder)trans-89.2107.8165.6-54-60000107.8G19 Y20 F25 L27 I35 P41 H211 C213G19-I38 CarbonylContact C-O 3.46Å; G19-I38 WeakPolarHBondContact CA-O 3.43Å; Y20-I38 PolarHBondContact N-O 3.5Å; Y20-I38 PolarHBondContact O-N 2.55Å; F25-I38 HydrophobicContact CD2-CB 4.28Å; F25-I38 HydrophobicContact CD2-CG1 3.73Å; F25-I38 HydrophobicContact CE2-CB 4.21Å; F25-I38 HydrophobicContact CE2-CG1 4.16Å; F25-I38 HydrophobicContact CE2-CG2 4.35Å; F25-I38 HydrophobicContact CG-CG1 4.14Å; F25-I38 HydrophobicContact CZ-CG2 4.34Å; L27-I38 HydrophobicContact CD1-CD1 4.24Å; L27-I38 HydrophobicContact CD2-CD1 4.11Å; I35-I38 HydrophobicContact CG2-CD1 3.97Å; I38-P41 HydrophobicContact CG2-CG 4.35Å; I38-H211 HydrophobicContact CD1-CB 4.33Å; I38-H211 HydrophobicContact CG2-CB 3.76Å; I38-C213 HydrophobicContact CD1-CB 4.29Å; I38-C213 WeakPolarHBondContact CD1-SG 3.48Å
39L96.5Very high96.1Very high4 Ų446.2 Ų46.22%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-78.3-47.2178.7-67171.8000111.2Y17 T37 V193 I195 V212 A214Y17-L39 HydrophobicContact CD1-CD2 4.24Å; Y17-L39 HydrophobicContact CE1-CD2 4.47Å; Y17-L39 WeakPolarHBondContact CE1-O 3.27Å; Y17-L39 PolarHBondContact OH-O 2.84Å; T37-L39 HydrophobicContact CG2-CD2 3.82Å; T37-L39 HydrophobicContact CG2-CG 4.11Å; L39-V193 HydrophobicContact CD1-CG2 3.74Å; L39-I195 HydrophobicContact CD1-CG2 3.43Å; L39-I195 VanDerWaalsContact CD1-CG2 3.43Å; L39-V212 PolarHBondContact N-O 2.96Å; L39-A214 HydrophobicContact CD1-CB 4.27Å
40I97.4Very high96.2Very high0 Ų040.5 Ų40.50%022%0.219CC..EExtended strand (participates in β ladder)trans-128.6103-176-44.4177.2000109F13 M44 V45 F188 V190 V212F13-I40 HydrophobicContact CD2-CD1 4.48Å; F13-I40 HydrophobicContact CE2-CD1 3.68Å; F13-I40 HydrophobicContact CE2-CG1 3.67Å; F13-I40 HydrophobicContact CZ-CD1 4.34Å; F13-I40 HydrophobicContact CZ-CG1 3.9Å; I40-M44 HydrophobicContact CG2-CB 4.11Å; I40-M44 HydrophobicContact CG2-CG 4.31Å; I40-M44 HydrophobicContact CG2-SD 4.16Å; I40-V45 HydrophobicContact CB-CG2 4.42Å; I40-V45 HydrophobicContact CG2-CG2 3.67Å; I40-F188 HydrophobicContact CD1-CB 3.77Å; I40-F188 HydrophobicContact CD1-CD1 3.72Å; I40-F188 HydrophobicContact CD1-CD2 4Å; I40-F188 HydrophobicContact CD1-CE1 4.27Å; I40-F188 HydrophobicContact CD1-CG 3.55Å; I40-F188 HydrophobicContact CG2-CD1 4.32Å; I40-F188 HydrophobicContact CG2-CE1 3.81Å; I40-F188 HydrophobicContact CG2-CE2 4.45Å; I40-F188 HydrophobicContact CG2-CZ 3.89Å; I40-V190 HydrophobicContact CD1-CG1 3.81Å; I40-V212 HydrophobicContact CB-CB 3.81Å; I40-V212 HydrophobicContact CB-CG2 3.95Å; I40-V212 HydrophobicContact CD1-CB 4.19Å; I40-V212 HydrophobicContact CD1-CG1 4.45Å; I40-V212 HydrophobicContact CD1-CG2 4.11Å; I40-V212 HydrophobicContact CG1-CB 4.01Å; I40-V212 HydrophobicContact CG1-CG2 4.32Å; I40-V212 PolarHBondContact N-O 3.15Å; I40-V212 VanDerWaalsContact N-O 3.08Å; I40-V212 PolarHBondContact O-N 3.25Å
41P97.7Very high96.5Very high22 Ų2242.7 Ų42.714%0.14322%0.216CC..  trans-57.5141171.9-26.235.9000111.3Y20 F25 I38 G43 M44 V45Y20-P41 HydrophobicContact CD2-CG 3.7Å; Y20-P41 HydrophobicContact CE2-CG 3.58Å; F25-P41 HydrophobicContact CE1-CB 3.99Å; F25-P41 HydrophobicContact CE1-CG 4.19Å; F25-P41 HydrophobicContact CZ-CB 4.25Å; F25-P41 HydrophobicContact CZ-CG 3.93Å; I38-P41 HydrophobicContact CG2-CG 4.35Å; P41-G43 PolarHBondContact O-N 3.28Å; P41-M44 WeakPolarHBondContact O-CA 3.4Å; P41-M44 VanDerWaalsContact O-CB 3.32Å; P41-M44 WeakPolarHBondContact O-CB 3.33Å; P41-M44 PolarHBondContact O-N 3.05Å; P41-V45 PolarHBondContact O-N 3.17Å
42G96.6Very high96.6Very high5 Ų542 Ų425%0.05221%0.213CC..Hα-helixtrans-60.8-23.2-176.600000114.2R46 P210 H211G42-R46 PolarHBondContact O-N 3.04Å; G42-R46 PolarHBondContact O-NH1 2.98Å; G42-P210 WeakPolarHBondContact CA-O 3.46Å; G42-H211 PolarHBondContact N-ND1 3.25Å
43G96.6Very high96.8Very high31 Ų3137.5 Ų37.532%0.3219%0.193SC..Hα-helixtrans-65-41.6170.300000113P41 V45 R46 S47P41-G43 PolarHBondContact O-N 3.28Å; G43-V45 VanDerWaalsContact C-N 3.35Å; G43-R46 PolarHBondContact O-N 2.83Å; G43-S47 PolarHBondContact O-N 2.95Å; G43-S47 PolarHBondContact O-OG 3.07Å
44M97.4Very high96.8Very high69 Ų6934 Ų3434%0.3418%0.179SC..Hα-helixtrans-66.9-38.8177.1-169.2178.3-139.300111.3I11 F13 I40 P41 R46 S47 R48 F188I11-M44 HydrophobicContact CD1-CE 4.37Å; I11-M44 HydrophobicContact CG2-CE 4.46Å; F13-M44 HydrophobicContact CE1-SD 4.42Å; F13-M44 HydrophobicContact CZ-CE 4.46Å; F13-M44 HydrophobicContact CZ-SD 3.91Å; I40-M44 HydrophobicContact CG2-CB 4.11Å; I40-M44 HydrophobicContact CG2-CG 4.31Å; I40-M44 HydrophobicContact CG2-SD 4.16Å; P41-M44 WeakPolarHBondContact O-CA 3.4Å; P41-M44 VanDerWaalsContact O-CB 3.32Å; P41-M44 WeakPolarHBondContact O-CB 3.33Å; P41-M44 PolarHBondContact O-N 3.05Å; M44-R46 PolarHBondContact O-N 3.16Å; M44-S47 PolarHBondContact O-N 2.81Å; M44-R48 PolarHBondContact O-N 3.38Å; M44-F188 HydrophobicContact CG-CE1 4.27Å; M44-F188 HydrophobicContact SD-CE1 4.48Å
45V97.4Very high96.8Very high0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-53.5-54.6172.4172.40000110.6I40 P41 G43 S47 R48 L49 F169 F188 Y198I40-V45 HydrophobicContact CB-CG2 4.42Å; I40-V45 HydrophobicContact CG2-CG2 3.67Å; P41-V45 PolarHBondContact O-N 3.17Å; G43-V45 VanDerWaalsContact C-N 3.35Å; V45-S47 PolarHBondContact O-N 3.41Å; V45-R48 PolarHBondContact O-N 3.14Å; V45-R48 VanDerWaalsContact O-N 3.14Å; V45-L49 HydrophobicContact CG1-CD1 4.27Å; V45-L49 HydrophobicContact CG1-CG 4.32Å; V45-L49 WeakPolarHBondContact O-CG 3.36Å; V45-L49 PolarHBondContact O-N 3.42Å; V45-F169 HydrophobicContact CB-CE2 4.44Å; V45-F169 HydrophobicContact CG1-CE2 3.72Å; V45-F169 HydrophobicContact CG1-CZ 4.38Å; V45-F169 HydrophobicContact CG2-CE2 3.99Å; V45-F169 HydrophobicContact CG2-CZ 3.91Å; V45-F188 HydrophobicContact CG2-CE2 4.31Å; V45-F188 HydrophobicContact CG2-CZ 4.4Å; V45-Y198 HydrophobicContact CG1-CD1 4.19Å; V45-Y198 HydrophobicContact CG1-CD2 4.15Å; V45-Y198 HydrophobicContact CG1-CE1 3.65Å; V45-Y198 HydrophobicContact CG1-CE2 3.62Å; V45-Y198 HydrophobicContact CG1-CG 4.42Å
46R96.4Very high96.8Very high158 Ų15835.2 Ų35.260%0.59619%0.185SC*.Hα-helixtrans-55.7-49.4179.7-69.9-173-62.5-92.47112.3G42 G43 M44 R48 L49 D50G42-R46 PolarHBondContact O-N 3.04Å; G42-R46 PolarHBondContact O-NH1 2.98Å; G43-R46 PolarHBondContact O-N 2.83Å; M44-R46 PolarHBondContact O-N 3.16Å; R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 2.84Å; R46-L49 PolarHBondContact O-N 3.02Å; R46-L49 VanDerWaalsContact O-N 3.15Å; R46-D50 PolarHBondContact O-N 3.41Å
47S97.4Very high97Very high79 Ų7932 Ų3255%0.55216%0.163SC*.Hα-helixtrans-62-36.5179.2-61.70000113.2G43 M44 V45 R51G43-S47 PolarHBondContact O-N 2.95Å; G43-S47 PolarHBondContact O-OG 3.07Å; M44-S47 PolarHBondContact O-N 2.81Å; V45-S47 PolarHBondContact O-N 3.41Å; S47-R51 PolarHBondContact O-N 2.92Å
48R96.7Very high97Very high20 Ų2033.3 Ų33.38%0.07517%0.169CC..Hα-helixtrans-67.4-41.6175-178.265.2-154.9108.7-16.1111.2D9 I11 M44 V45 R46 D50 R51 M52 D55 F188D9-R48 PolarHBondContact O-NH2 3.46Å; I11-R48 HydrophobicContact CD1-CB 4.18Å; I11-R48 HydrophobicContact CD1-CG 4.23Å; M44-R48 PolarHBondContact O-N 3.38Å; V45-R48 PolarHBondContact O-N 3.14Å; V45-R48 VanDerWaalsContact O-N 3.14Å; R46-R48 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 2.84Å; R48-D50 VanDerWaalsContact C-N 3.35Å; R48-R51 VanDerWaalsContact NH1-CB 3.27Å; R48-R51 VanDerWaalsContact NH1-CG 3.29Å; R48-R51 PolarHBondContact O-N 2.92Å; R48-M52 VanDerWaalsContact O-CB 3.28Å; R48-M52 WeakPolarHBondContact O-CB 3.21Å; R48-M52 PolarHBondContact O-N 2.98Å; R48-D55 IonicContact CZ-OD2 3.89Å; R48-D55 IonicContact NH1-OD2 3.01Å; R48-D55 IonicContact NH2-OD2 2.82Å; R48-D55 PolarHBondContact NH2-OD2 2.91Å; R48-F188 HydrophobicContact CB-CE1 4.04Å; R48-F188 HydrophobicContact CB-CE2 3.92Å; R48-F188 HydrophobicContact CB-CZ 3.37Å; R48-F188 HydrophobicContact CG-CE1 4.21Å; R48-F188 HydrophobicContact CG-CE2 3.97Å; R48-F188 HydrophobicContact CG-CZ 3.75Å
49L96.7Very high96.9Very high3 Ų335.7 Ų35.72%0.01618%0.182CC..Hα-helixtrans-64.2-37.6179.3-66.4-166.5000113V45 R46 M52 S53 F80 D83 Y198V45-L49 HydrophobicContact CG1-CD1 4.27Å; V45-L49 HydrophobicContact CG1-CG 4.32Å; V45-L49 WeakPolarHBondContact O-CG 3.36Å; V45-L49 PolarHBondContact O-N 3.42Å; R46-L49 PolarHBondContact O-N 3.02Å; R46-L49 VanDerWaalsContact O-N 3.15Å; L49-M52 HydrophobicContact CD2-SD 4.31Å; L49-M52 PolarHBondContact O-N 2.9Å; L49-S53 WeakPolarHBondContact O-CB 3.42Å; L49-S53 PolarHBondContact O-N 2.76Å; L49-S53 PolarHBondContact O-OG 3.49Å; L49-F80 HydrophobicContact CD1-CD2 4.32Å; L49-F80 HydrophobicContact CD2-CD2 3.73Å; L49-F80 HydrophobicContact CD2-CE2 3.4Å; L49-F80 VanDerWaalsContact CD2-CE2 3.4Å; L49-D83 HydrophobicContact CD1-CB 3.59Å; L49-Y198 VanDerWaalsContact CD1-OH 3.25Å; L49-Y198 WeakPolarHBondContact CD1-OH 3.29Å
50D97.1Very high97Very high52 Ų5235.5 Ų35.528%0.27818%0.181SC..Hα-helixtrans-55.9-53.8171.7-77.6-44000110.7R46 R48 M52 S53 I54 Y91R46-D50 PolarHBondContact O-N 3.41Å; R48-D50 VanDerWaalsContact C-N 3.35Å; D50-M52 PolarHBondContact O-N 3.45Å; D50-S53 PolarHBondContact O-N 2.94Å; D50-I54 WeakPolarHBondContact O-CG1 3.22Å; D50-I54 PolarHBondContact O-N 3.21Å; D50-Y91 HydrophobicContact CB-CE2 4.12Å; D50-Y91 WeakPolarHBondContact CB-OH 3.36Å; D50-Y91 VanDerWaalsContact CG-OH 3.22Å; D50-Y91 WeakPolarHBondContact OD1-CE2 3.38Å; D50-Y91 PolarHBondContact OD1-OH 3.18Å
51R97.2Very high96.9Very high131 Ų13138.3 Ų38.349%0.49419%0.194SC..Hα-helixtrans-65.3-39.9179.8179.968-152.3-177.65.5112.1S47 R48 S53 I54 D55S47-R51 PolarHBondContact O-N 2.92Å; R48-R51 VanDerWaalsContact NH1-CB 3.27Å; R48-R51 VanDerWaalsContact NH1-CG 3.29Å; R48-R51 PolarHBondContact O-N 2.92Å; R51-S53 VanDerWaalsContact C-N 3.32Å; R51-S53 PolarHBondContact O-N 2.87Å; R51-I54 WeakPolarHBondContact O-CB 3.24Å; R51-I54 PolarHBondContact O-N 3.02Å; R51-I54 VanDerWaalsContact O-N 3.16Å; R51-D55 IonicContact CZ-OD1 3.6Å; R51-D55 IonicContact NE-OD1 3.06Å; R51-D55 PolarHBondContact NE-OD1 3.48Å; R51-D55 IonicContact NE-OD2 2.93Å; R51-D55 IonicContact NH2-OD1 3.19Å; R51-D55 PolarHBondContact NH2-OD1 3.2Å; R51-D55 PolarHBondContact O-N 3.46Å; R51-D55 VanDerWaalsContact O-OD2 3.1Å
52M96.9Very high96.8Very high3 Ų344.6 Ų44.62%0.01522%0.219CC..Hα-helixtrans-63.8-39.8-179.4-172.2-178.7-173.500110.8R48 L49 D50 I54 D55 I56 F80 A167R48-M52 VanDerWaalsContact O-CB 3.28Å; R48-M52 WeakPolarHBondContact O-CB 3.21Å; R48-M52 PolarHBondContact O-N 2.98Å; L49-M52 HydrophobicContact CD2-SD 4.31Å; L49-M52 PolarHBondContact O-N 2.9Å; D50-M52 PolarHBondContact O-N 3.45Å; M52-I54 VanDerWaalsContact C-N 3.33Å; M52-I54 PolarHBondContact O-N 2.79Å; M52-D55 PolarHBondContact O-N 3.16Å; M52-I56 HydrophobicContact CG-CD1 4.04Å; M52-I56 VanDerWaalsContact O-CG1 3.24Å; M52-I56 WeakPolarHBondContact O-CG1 3.4Å; M52-I56 PolarHBondContact O-N 3.39Å; M52-F80 HydrophobicContact CE-CZ 3.96Å; M52-F80 HydrophobicContact SD-CE2 4.13Å; M52-F80 HydrophobicContact SD-CZ 4.04Å; M52-A167 HydrophobicContact CE-CB 3.8Å
53S97.6Very high96.7Very high0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-62.5-40.2174.1-650000112.3L49 D50 R51 L57 T87L49-S53 WeakPolarHBondContact O-CB 3.42Å; L49-S53 PolarHBondContact O-N 2.76Å; L49-S53 PolarHBondContact O-OG 3.49Å; D50-S53 PolarHBondContact O-N 2.94Å; R51-S53 VanDerWaalsContact C-N 3.32Å; R51-S53 PolarHBondContact O-N 2.87Å; S53-L57 WeakPolarHBondContact O-CB 3.03Å; S53-L57 VanDerWaalsContact O-CG 3.22Å; S53-L57 WeakPolarHBondContact O-CG 3.36Å; S53-L57 PolarHBondContact O-N 2.94Å; S53-T87 WeakPolarHBondContact OG-CB 3.19Å; S53-T87 PolarHBondContact OG-OG1 3.32Å
54I96.5Very high96.7Very high40 Ų4047.4 Ų47.421%0.20524%0.239CC..Hα-helixtrans-62.3-47.9175-67.4166.7000110.4D50 R51 M52 I56 L57 D58 Y91 R95D50-I54 WeakPolarHBondContact O-CG1 3.22Å; D50-I54 PolarHBondContact O-N 3.21Å; R51-I54 WeakPolarHBondContact O-CB 3.24Å; R51-I54 PolarHBondContact O-N 3.02Å; R51-I54 VanDerWaalsContact O-N 3.16Å; M52-I54 VanDerWaalsContact C-N 3.33Å; M52-I54 PolarHBondContact O-N 2.79Å; I54-I56 PolarHBondContact O-N 2.66Å; I54-L57 PolarHBondContact O-N 3.22Å; I54-D58 VanDerWaalsContact O-CG 3.3Å; I54-D58 PolarHBondContact O-N 3.33Å; I54-Y91 HydrophobicContact CD1-CD1 4.27Å; I54-Y91 HydrophobicContact CD1-CE1 3.98Å; I54-Y91 HydrophobicContact CG1-CD1 3.98Å; I54-Y91 HydrophobicContact CG1-CD2 4.39Å; I54-Y91 HydrophobicContact CG1-CE1 4.16Å; I54-Y91 HydrophobicContact CG1-CG 4.12Å; I54-R95 PolarHBondContact O-NH2 3.37Å; I54-R95 VanDerWaalsContact O-NH2 3.15Å
55D96.5Very high96.7Very high34 Ų3444.1 Ų44.118%0.18222%0.223CC..Hα-helixtrans-59.4-47.2179.7-58.7-34.2000111.1R48 R51 M52 L57 D58 D59R48-D55 IonicContact CZ-OD2 3.89Å; R48-D55 IonicContact NH1-OD2 3.01Å; R48-D55 IonicContact NH2-OD2 2.82Å; R48-D55 PolarHBondContact NH2-OD2 2.91Å; R51-D55 IonicContact CZ-OD1 3.6Å; R51-D55 IonicContact NE-OD1 3.06Å; R51-D55 PolarHBondContact NE-OD1 3.48Å; R51-D55 IonicContact NE-OD2 2.93Å; R51-D55 IonicContact NH2-OD1 3.19Å; R51-D55 PolarHBondContact NH2-OD1 3.2Å; R51-D55 PolarHBondContact O-N 3.46Å; R51-D55 VanDerWaalsContact O-OD2 3.1Å; M52-D55 PolarHBondContact O-N 3.16Å; D55-L57 PolarHBondContact O-N 3.44Å; D55-D58 PolarHBondContact O-N 2.82Å; D55-D59 PolarHBondContact O-N 3.12Å; D55-D59 VanDerWaalsContact O-N 3.17Å
56I97.4Very high96.7Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-59.7-47.4177.2-69.2166.4000111.3M52 I54 D59 Y60 L84 L88 L137 Y185M52-I56 HydrophobicContact CG-CD1 4.04Å; M52-I56 VanDerWaalsContact O-CG1 3.24Å; M52-I56 WeakPolarHBondContact O-CG1 3.4Å; M52-I56 PolarHBondContact O-N 3.39Å; I54-I56 PolarHBondContact O-N 2.66Å; I56-D59 PolarHBondContact O-N 3.1Å; I56-Y60 HydrophobicContact CG2-CD1 4.47Å; I56-Y60 HydrophobicContact CG2-CD2 3.85Å; I56-Y60 HydrophobicContact CG2-CE1 4.16Å; I56-Y60 HydrophobicContact CG2-CE2 3.46Å; I56-Y60 VanDerWaalsContact CG2-CE2 3.46Å; I56-Y60 HydrophobicContact CG2-CG 4.34Å; I56-Y60 WeakPolarHBondContact O-CB 3.41Å; I56-Y60 VanDerWaalsContact O-CG 3.3Å; I56-Y60 PolarHBondContact O-N 3.17Å; I56-L84 HydrophobicContact CD1-CD1 4.18Å; I56-L84 HydrophobicContact CD1-CD2 4.42Å; I56-L88 HydrophobicContact CB-CD2 4.09Å; I56-L88 HydrophobicContact CG2-CD2 3.87Å; I56-L137 HydrophobicContact CD1-CD2 4.43Å; I56-Y185 HydrophobicContact CD1-CD2 4.11Å; I56-Y185 HydrophobicContact CD1-CE2 4.45Å; I56-Y185 HydrophobicContact CD1-CG 4.22Å; I56-Y185 HydrophobicContact CG1-CD1 3.78Å; I56-Y185 HydrophobicContact CG1-CD2 3.74Å; I56-Y185 HydrophobicContact CG1-CE1 3.79Å; I56-Y185 HydrophobicContact CG1-CE2 3.73Å; I56-Y185 HydrophobicContact CG1-CG 3.75Å; I56-Y185 HydrophobicContact CG2-CE2 4.38Å
57L97.5Very high96.7Very high1 Ų144.6 Ų44.61%0.00524%0.235CC..Hα-helixtrans-66.5-38.4-178.4-71.5170.1000112S53 I54 D55 D59 Y60 E61 L88 R95 I99S53-L57 WeakPolarHBondContact O-CB 3.03Å; S53-L57 VanDerWaalsContact O-CG 3.22Å; S53-L57 WeakPolarHBondContact O-CG 3.36Å; S53-L57 PolarHBondContact O-N 2.94Å; I54-L57 PolarHBondContact O-N 3.22Å; D55-L57 PolarHBondContact O-N 3.44Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.15Å; L57-Y60 PolarHBondContact O-N 3.25Å; L57-E61 WeakPolarHBondContact O-CG 3.33Å; L57-E61 PolarHBondContact O-N 3.38Å; L57-L88 HydrophobicContact CD1-CD2 4.38Å; L57-L88 HydrophobicContact CD2-CD2 4.18Å; L57-L88 HydrophobicContact CG-CD2 3.88Å; L57-R95 HydrophobicContact CD1-CG 4.47Å; L57-I99 HydrophobicContact CD2-CB 4.29Å; L57-I99 HydrophobicContact CD2-CD1 3.82Å
58D96Very high96.8Very high48 Ų4841 Ų4126%0.25721%0.209SC..Hα-helixtrans-59.4-44.3175.3-74.72.4000111I54 D55 E61 K62 R95I54-D58 VanDerWaalsContact O-CG 3.3Å; I54-D58 PolarHBondContact O-N 3.33Å; D55-D58 PolarHBondContact O-N 2.82Å; D58-E61 PolarHBondContact O-N 2.92Å; D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.15Å; D58-K62 PolarHBondContact O-N 2.8Å; D58-R95 IonicContact OD1-CZ 2.76Å; D58-R95 IonicContact OD1-NH1 2.55Å; D58-R95 PolarHBondContact OD1-NH1 3.48Å; D58-R95 IonicContact OD1-NH2 2.65Å; D58-R95 PolarHBondContact OD1-NH2 3.27Å
59D96.4Very high96.9Very high49 Ų4942.9 Ų42.926%0.26222%0.217SC..Hα-helixtrans-72.3-33.1-179.6-74.8-9.1000112.6D55 I56 L57 K62 S63D55-D59 PolarHBondContact O-N 3.12Å; D55-D59 VanDerWaalsContact O-N 3.17Å; I56-D59 PolarHBondContact O-N 3.1Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 3.15Å; D59-K62 IonicContact OD1-NZ 2.85Å; D59-K62 PolarHBondContact OD1-NZ 3Å; D59-S63 VanDerWaalsContact O-CB 3.27Å; D59-S63 WeakPolarHBondContact O-CB 3.26Å; D59-S63 PolarHBondContact O-N 3.41Å; D59-S63 PolarHBondContact O-OG 3.37Å
60Y97Very high97Very high1 Ų142.8 Ų42.80%0.00422%0.216CC..Hα-helixtrans-66.3-43.6171.4-77.83.1000112.4I56 L57 S63 G64 V65 V68 Y165I56-Y60 HydrophobicContact CG2-CD1 4.47Å; I56-Y60 HydrophobicContact CG2-CD2 3.85Å; I56-Y60 HydrophobicContact CG2-CE1 4.16Å; I56-Y60 HydrophobicContact CG2-CE2 3.46Å; I56-Y60 VanDerWaalsContact CG2-CE2 3.46Å; I56-Y60 HydrophobicContact CG2-CG 4.34Å; I56-Y60 WeakPolarHBondContact O-CB 3.41Å; I56-Y60 VanDerWaalsContact O-CG 3.3Å; I56-Y60 PolarHBondContact O-N 3.17Å; L57-Y60 PolarHBondContact O-N 3.25Å; Y60-S63 CarbonylContact O-C 3.56Å; Y60-S63 PolarHBondContact O-N 2.83Å; Y60-G64 PolarHBondContact O-N 3.11Å; Y60-V65 HydrophobicContact CD1-CB 4.46Å; Y60-V65 HydrophobicContact CD1-CG2 4.08Å; Y60-V65 HydrophobicContact CD2-CG1 4.11Å; Y60-V65 HydrophobicContact CG-CB 4.03Å; Y60-V65 HydrophobicContact CG-CG1 4.08Å; Y60-V65 HydrophobicContact CG-CG2 4.16Å; Y60-V65 PolarHBondContact O-N 3.24Å; Y60-V68 HydrophobicContact CD2-CG1 4.49Å; Y60-V68 HydrophobicContact CE2-CB 4.01Å; Y60-V68 HydrophobicContact CE2-CG1 3.95Å; Y60-V68 HydrophobicContact CE2-CG2 3.88Å; Y60-Y165 HydrophobicContact CD1-CE2 4.19Å; Y60-Y165 HydrophobicContact CE1-CD1 4.46Å; Y60-Y165 AromaticContact CE1-CD2 3.49Å; Y60-Y165 HydrophobicContact CE1-CD2 3.49Å; Y60-Y165 VanDerWaalsContact CE1-CD2 3.49Å; Y60-Y165 HydrophobicContact CE1-CE1 4.44Å; Y60-Y165 AromaticContact CE1-CE2 3.45Å; Y60-Y165 HydrophobicContact CE1-CE2 3.45Å; Y60-Y165 VanDerWaalsContact CE1-CE2 3.45Å; Y60-Y165 HydrophobicContact CE1-CG 4.01Å; Y60-Y165 AromaticContact CE1-CZ 3.97Å; Y60-Y165 AromaticContact CZ-CD2 3.82Å; Y60-Y165 WeakPolarHBondContact OH-CD2 3.48Å
61E95.2Very high97Very high58 Ų5840.3 Ų40.327%0.27120%0.203SC..Hα-helixtrans-61.5-46.1174.8-75.4-170.2123.900111.1L57 D58 S63 G64 R95 S97 I99L57-E61 WeakPolarHBondContact O-CG 3.33Å; L57-E61 PolarHBondContact O-N 3.38Å; D58-E61 PolarHBondContact O-N 2.92Å; E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 3.02Å; E61-G64 PolarHBondContact O-N 2.51Å; E61-G64 VanDerWaalsContact O-N 3.12Å; E61-R95 IonicContact OE2-NH1 2.66Å; E61-R95 PolarHBondContact OE2-NH1 2.6Å; E61-S97 WeakPolarHBondContact OE1-CB 3.37Å; E61-S97 PolarHBondContact OE1-N 2.76Å; E61-I99 HydrophobicContact CG-CD1 3.98Å
62K95.3Very high97Very high154 Ų15434.1 Ų34.167%0.6718%0.18SC*.Hα-helixtrans-60.1-35.6175.4-69.6168.3-150.6153.50112.6D58 D59 G64D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.15Å; D58-K62 PolarHBondContact O-N 2.8Å; D59-K62 IonicContact OD1-NZ 2.85Å; D59-K62 PolarHBondContact OD1-NZ 3Å; K62-G64 VanDerWaalsContact C-N 3.32Å
63S95.6Very high97Very high56 Ų5634.3 Ų34.339%0.39218%0.181SC..THydrogen-bonded Turntrans-86.1-0.4179.8-55.80000113.5D59 Y60 E61 V65D59-S63 VanDerWaalsContact O-CB 3.27Å; D59-S63 WeakPolarHBondContact O-CB 3.26Å; D59-S63 PolarHBondContact O-N 3.41Å; D59-S63 PolarHBondContact O-OG 3.37Å; Y60-S63 CarbonylContact O-C 3.56Å; Y60-S63 PolarHBondContact O-N 2.83Å; E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 PolarHBondContact O-N 3.02Å; S63-V65 VanDerWaalsContact C-N 3.3Å; S63-V65 PolarHBondContact O-N 2.98Å
64G96.1Very high96.9Very high39 Ų3936.6 Ų36.640%0.40219%0.193SC..THydrogen-bonded Turntrans69.522-179.100000114.6Y60 E61 K62Y60-G64 PolarHBondContact O-N 3.11Å; E61-G64 PolarHBondContact O-N 2.51Å; E61-G64 VanDerWaalsContact O-N 3.12Å; K62-G64 VanDerWaalsContact C-N 3.32Å
65V97.6Very high96.6Very high1 Ų140.9 Ų40.91%0.00621%0.21CC..  trans-67135.1173.1175.70000108.7Y60 S63 V68 I99 D135Y60-V65 HydrophobicContact CD1-CB 4.46Å; Y60-V65 HydrophobicContact CD1-CG2 4.08Å; Y60-V65 HydrophobicContact CD2-CG1 4.11Å; Y60-V65 HydrophobicContact CG-CB 4.03Å; Y60-V65 HydrophobicContact CG-CG1 4.08Å; Y60-V65 HydrophobicContact CG-CG2 4.16Å; Y60-V65 PolarHBondContact O-N 3.24Å; S63-V65 VanDerWaalsContact C-N 3.3Å; S63-V65 PolarHBondContact O-N 2.98Å; V65-V68 HydrophobicContact CG1-CB 4.48Å; V65-I99 HydrophobicContact CG1-CG2 4.35Å; V65-D135 HydrophobicContact CG1-CB 4.02Å; V65-D135 HydrophobicContact CG2-CB 4.39Å
66K96.8Very high96.3Very high124 Ų12439.8 Ų39.854%0.53921%0.207SC..  trans-120-19.1178.9-62-63.7179.4179.60113.1S97 I99 K100K66-S97 PolarHBondContact NZ-OG 3.26Å; K66-I99 WeakPolarHBondContact O-CA 3.3Å; K66-K100 PolarHBondContact O-N 2.89Å
67S98Very high96Very high44 Ų4439.8 Ų39.831%0.30821%0.207SC..EExtended strand (participates in β ladder)trans-151.5141.5175.560.20000109.2K100S67-K100 CarbonylContact C-O 3.56Å; S67-K100 WeakPolarHBondContact CA-O 3.4Å
68V98.5Very high96Very high3 Ų344.9 Ų44.92%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-133.5140.3177650000110.8Y60 V65 I99 K100 V101 S102 D135 L137Y60-V68 HydrophobicContact CD2-CG1 4.49Å; Y60-V68 HydrophobicContact CE2-CB 4.01Å; Y60-V68 HydrophobicContact CE2-CG1 3.95Å; Y60-V68 HydrophobicContact CE2-CG2 3.88Å; V65-V68 HydrophobicContact CG1-CB 4.48Å; V68-I99 HydrophobicContact CG1-CG2 4.35Å; V68-K100 PolarHBondContact N-O 3.41Å; V68-V101 HydrophobicContact CG1-CB 4.41Å; V68-V101 HydrophobicContact CG1-CG1 4.1Å; V68-V101 HydrophobicContact CG1-CG2 4.23Å; V68-S102 PolarHBondContact O-N 3.41Å; V68-D135 WeakPolarHBondContact CA-O 3.39Å; V68-L137 HydrophobicContact CG2-CB 3.98Å
69Y98.5Very high96Very high60 Ų6046.3 Ų46.324%0.23523%0.233CC..EExtended strand (participates in β ladder)trans-98.1117.3166-76.8-85.9000109.9F131 K134 D135 V136 L137Y69-F131 HydrophobicContact CD1-CD1 4.35Å; Y69-F131 AromaticContact CD1-CE1 3.82Å; Y69-F131 HydrophobicContact CD1-CE1 3.82Å; Y69-F131 HydrophobicContact CD2-CD1 4.16Å; Y69-F131 HydrophobicContact CD2-CE1 4.44Å; Y69-F131 AromaticContact CG-CD1 3.89Å; Y69-F131 HydrophobicContact CG-CD1 3.89Å; Y69-F131 AromaticContact CG-CE1 3.75Å; Y69-F131 HydrophobicContact CG-CE1 3.75Å; Y69-K134 HydrophobicContact CD2-CB 4Å; Y69-K134 HydrophobicContact CD2-CG 4.11Å; Y69-K134 HydrophobicContact CE2-CB 4.34Å; Y69-K134 HydrophobicContact CE2-CD 4.35Å; Y69-K134 HydrophobicContact CE2-CG 3.94Å; Y69-D135 PolarHBondContact N-O 3.08Å; Y69-V136 CarbonylContact O-C 3.59Å; Y69-V136 WeakPolarHBondContact O-CA 3.5Å; Y69-L137 PolarHBondContact O-N 2.91Å
70I98.5Very high96.1Very high0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-74.5127.4164.1-65.1179.1000107.7F85 L88 V101 S102 I103 D104 L137 V139I70-F85 HydrophobicContact CD1-CB 3.98Å; I70-F85 HydrophobicContact CD1-CD2 4.04Å; I70-L88 HydrophobicContact CD1-CD1 3.72Å; I70-V101 HydrophobicContact CD1-CG1 3.74Å; I70-V101 HydrophobicContact CG1-CG1 4.1Å; I70-S102 PolarHBondContact N-O 3.19Å; I70-I103 HydrophobicContact CB-CB 4.38Å; I70-I103 HydrophobicContact CB-CG1 4.16Å; I70-I103 HydrophobicContact CG2-CD1 4.2Å; I70-I103 HydrophobicContact CG2-CG1 4.01Å; I70-I103 CarbonylContact O-C 3.51Å; I70-I103 WeakPolarHBondContact O-CA 3.35Å; I70-D104 PolarHBondContact O-N 3.24Å; I70-L137 CarbonylContact C-O 3.54Å; I70-L137 VanDerWaalsContact CA-O 3.3Å; I70-L137 WeakPolarHBondContact CA-O 3.43Å; I70-L137 HydrophobicContact CG1-CD2 4.36Å; I70-V139 HydrophobicContact CG2-CB 4.1Å; I70-V139 HydrophobicContact CG2-CG2 3.57Å
71I98.1Very high96.1Very high1 Ų144 Ų441%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-110101.3169.7-62.1-177.8000107.3I73 L106 F131 V136 L137 V139 V156I71-I73 HydrophobicContact CG2-CD1 4.3Å; I71-L106 HydrophobicContact CG2-CB 4.16Å; I71-L106 HydrophobicContact CG2-CD1 3.54Å; I71-L106 HydrophobicContact CG2-CG 3.46Å; I71-L106 VanDerWaalsContact CG2-CG 3.46Å; I71-F131 HydrophobicContact CD1-CD1 4.33Å; I71-F131 HydrophobicContact CD1-CD2 4.04Å; I71-F131 HydrophobicContact CD1-CE1 4.07Å; I71-F131 HydrophobicContact CD1-CE2 3.75Å; I71-F131 HydrophobicContact CD1-CG 4.31Å; I71-F131 HydrophobicContact CD1-CZ 3.76Å; I71-F131 HydrophobicContact CG1-CE1 4.14Å; I71-F131 HydrophobicContact CG1-CE2 4.41Å; I71-F131 HydrophobicContact CG1-CZ 3.94Å; I71-V136 HydrophobicContact CD1-CG1 3.45Å; I71-V136 VanDerWaalsContact CD1-CG1 3.45Å; I71-V136 HydrophobicContact CG1-CG1 3.82Å; I71-L137 PolarHBondContact N-O 2.84Å; I71-V139 PolarHBondContact O-N 2.82Å; I71-V156 HydrophobicContact CD1-CG1 4.37Å; I71-V156 HydrophobicContact CD1-CG2 4.21Å
72C98Very high96.3Very high0 Ų043.5 Ų43.50%022%0.223CC..EExtended strand (participates in β ladder)trans-75.6125.9176.4174.20000110.3F78 A81 D104 F105 L106C72-F78 VanDerWaalsContact SG-CA 3.53Å; C72-A81 HydrophobicContact CB-CB 3.63Å; C72-A81 VanDerWaalsContact SG-CB 3.51Å; C72-D104 WeakPolarHBondContact CB-O 3.28Å; C72-D104 PolarHBondContact N-O 3.18Å; C72-F105 HydrophobicContact CB-CD1 3.61Å; C72-F105 HydrophobicContact CB-CE1 3.88Å; C72-F105 WeakPolarHBondContact O-CA 3.49Å; C72-L106 PolarHBondContact O-N 2.93Å
73I96.2Very high96.4Very high7 Ų737.9 Ų37.94%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-84.7116.6173-52.3-52.4000109.2I71 G77 L106 A108 I138 V139 E140 L152I71-I73 HydrophobicContact CG2-CD1 4.3Å; I73-G77 VanDerWaalsContact O-CA 3.31Å; I73-G77 WeakPolarHBondContact O-CA 3.46Å; I73-G77 PolarHBondContact O-N 3.26Å; I73-G77 VanDerWaalsContact O-N 3.1Å; I73-L106 WeakPolarHBondContact CA-O 3.28Å; I73-L106 HydrophobicContact CD1-CB 3.99Å; I73-L106 HydrophobicContact CD1-CD1 4.32Å; I73-A108 HydrophobicContact CG2-CB 3.69Å; I73-I138 HydrophobicContact CD1-CG2 3.89Å; I73-I138 HydrophobicContact CG1-CG2 3.83Å; I73-V139 PolarHBondContact N-O 2.76Å; I73-E140 HydrophobicContact CB-CG 4.47Å; I73-E140 HydrophobicContact CG1-CB 4.4Å; I73-L152 HydrophobicContact CD1-CD1 3.99Å; I73-L152 HydrophobicContact CD1-CD2 3.75Å; I73-L152 HydrophobicContact CD1-CG 4.46Å; I73-L152 HydrophobicContact CG1-CD1 3.88Å; I73-L152 HydrophobicContact CG2-CD1 4.23Å
74L94.8Very high96.5Very high49 Ų4935.2 Ų35.226%0.25718%0.182SC..EExtended strand (participates in β ladder)trans-87.6148.1-180-67.3178.8000111.4F78 F105 L106 A108L74-F78 HydrophobicContact CD2-CB 4Å; L74-F105 HydrophobicContact CD1-CB 3.87Å; L74-F105 HydrophobicContact CD1-CD1 4.21Å; L74-F105 HydrophobicContact CD1-CG 4.31Å; L74-F105 HydrophobicContact CD2-CD1 3.91Å; L74-F105 HydrophobicContact CG-CB 4.21Å; L74-F105 HydrophobicContact CG-CD1 4.1Å; L74-L106 PolarHBondContact N-O 3.47Å; L74-A108 PolarHBondContact O-N 3.39Å
75K90.8Very high96.6Very high130 Ų13035.4 Ų35.457%0.56517%0.172SC*.THydrogen-bonded Turncis-91-35.51.8-62.9-179.2-167.8168.40113.8G77 F78 D204K75-G77 VanDerWaalsContact C-N 3.34Å; K75-G77 PolarHBondContact O-N 2.96Å; K75-F78 VanDerWaalsContact O-CB 3.3Å; K75-F78 WeakPolarHBondContact O-CB 3.14Å; K75-F78 PolarHBondContact O-N 2.86Å; K75-F78 VanDerWaalsContact O-N 3.13Å; K75-D204 IonicContact NZ-OD1 3Å; K75-D204 IonicContact NZ-OD2 2.8Å; K75-D204 PolarHBondContact NZ-OD2 3.36Å
76G89.2Confident96.7Very high11 Ų1140.7 Ų40.711%0.11320%0.195CC..THydrogen-bonded Turntrans-58.9-38.3-167.100000114.9F78 D141G76-F78 PolarHBondContact O-N 2.88Å; G76-F78 VanDerWaalsContact O-N 3.14Å; G76-D141 VanDerWaalsContact CA-OD2 3.29Å; G76-D141 WeakPolarHBondContact CA-OD2 3.45Å
77G92.9Very high96.7Very high0 Ų035.4 Ų35.40%017%0.173CC..THydrogen-bonded Turntrans-66.3-14.1179.700000115.2I73 K75 K79 F80 A81I73-G77 VanDerWaalsContact O-CA 3.31Å; I73-G77 WeakPolarHBondContact O-CA 3.46Å; I73-G77 PolarHBondContact O-N 3.26Å; I73-G77 VanDerWaalsContact O-N 3.1Å; K75-G77 VanDerWaalsContact C-N 3.34Å; K75-G77 PolarHBondContact O-N 2.96Å; G77-K79 PolarHBondContact O-N 2.81Å; G77-F80 PolarHBondContact O-N 2.84Å; G77-A81 VanDerWaalsContact O-CB 3.24Å; G77-A81 WeakPolarHBondContact O-CB 3.38Å; G77-A81 PolarHBondContact O-N 2.96Å
78F95.8Very high96.7Very high108 Ų10833.3 Ų33.347%0.47416%0.159SC..Hα-helixtrans-55.3-49-172.8166.7-105.3000113.6C72 L74 K75 G76 A81 S82 F105C72-F78 VanDerWaalsContact SG-CA 3.53Å; L74-F78 HydrophobicContact CD2-CB 4Å; K75-F78 VanDerWaalsContact O-CB 3.3Å; K75-F78 WeakPolarHBondContact O-CB 3.14Å; K75-F78 PolarHBondContact O-N 2.86Å; K75-F78 VanDerWaalsContact O-N 3.13Å; G76-F78 PolarHBondContact O-N 2.88Å; G76-F78 VanDerWaalsContact O-N 3.14Å; F78-A81 PolarHBondContact O-N 2.92Å; F78-S82 WeakPolarHBondContact O-CB 3.49Å; F78-S82 PolarHBondContact O-N 2.9Å; F78-F105 HydrophobicContact CD2-CE1 4.43Å
79K96.8Very high96.7Very high77 Ų7736 Ų3634%0.33517%0.171SC..Hα-helixtrans-65.4-47.4-173.5-179.753.9-178.4149.60111G77 S82 D83 Y198G77-K79 PolarHBondContact O-N 2.81Å; K79-S82 PolarHBondContact O-N 2.83Å; K79-D83 WeakPolarHBondContact CE-OD2 3.48Å; K79-D83 VanDerWaalsContact NZ-CG 3.31Å; K79-D83 IonicContact NZ-OD1 3.94Å; K79-D83 PolarHBondContact NZ-OD1 3.33Å; K79-D83 IonicContact NZ-OD2 2.63Å; K79-D83 PolarHBondContact NZ-OD2 3.03Å; K79-D83 PolarHBondContact O-N 3Å; K79-D83 VanDerWaalsContact O-N 3.17Å; K79-Y198 HydrophobicContact CD-CE2 4.45Å; K79-Y198 HydrophobicContact CG-CD1 4.49Å; K79-Y198 HydrophobicContact CG-CD2 4Å; K79-Y198 HydrophobicContact CG-CE1 4.38Å; K79-Y198 HydrophobicContact CG-CE2 3.85Å; K79-Y198 HydrophobicContact CG-CG 4.3Å
80F97.9Very high96.7Very high2 Ų237.2 Ų37.21%0.00918%0.179CC..Hα-helixtrans-61.2-48174.4168.9-134.7000112.1L49 M52 G77 S82 D83 L84 V139 E140 A167 F169 Y198L49-F80 HydrophobicContact CD1-CD2 4.32Å; L49-F80 HydrophobicContact CD2-CD2 3.73Å; L49-F80 HydrophobicContact CD2-CE2 3.4Å; L49-F80 VanDerWaalsContact CD2-CE2 3.4Å; M52-F80 HydrophobicContact CE-CZ 3.96Å; M52-F80 HydrophobicContact SD-CE2 4.13Å; M52-F80 HydrophobicContact SD-CZ 4.04Å; G77-F80 PolarHBondContact O-N 2.84Å; F80-S82 VanDerWaalsContact C-N 3.31Å; F80-S82 PolarHBondContact O-N 2.82Å; F80-D83 PolarHBondContact O-N 2.84Å; F80-L84 HydrophobicContact CD2-CB 4.27Å; F80-L84 HydrophobicContact CE1-CD2 4.46Å; F80-L84 HydrophobicContact CE2-CB 4.06Å; F80-L84 HydrophobicContact CE2-CD1 4.5Å; F80-L84 HydrophobicContact CE2-CD2 4.01Å; F80-L84 HydrophobicContact CE2-CG 4.41Å; F80-L84 HydrophobicContact CZ-CD2 3.82Å; F80-L84 VanDerWaalsContact O-CB 3.24Å; F80-L84 WeakPolarHBondContact O-CB 3.27Å; F80-L84 PolarHBondContact O-N 2.78Å; F80-V139 HydrophobicContact CD1-CG1 3.34Å; F80-V139 HydrophobicContact CE1-CG1 3.42Å; F80-V139 VanDerWaalsContact CE1-CG1 3.42Å; F80-V139 HydrophobicContact CG-CG1 4.22Å; F80-V139 HydrophobicContact CZ-CG1 4.31Å; F80-E140 VanDerWaalsContact CD1-O 3.25Å; F80-E140 WeakPolarHBondContact CD1-O 3.41Å; F80-E140 WeakPolarHBondContact CE1-O 3.27Å; F80-A167 HydrophobicContact CE1-CB 4.45Å; F80-A167 HydrophobicContact CZ-CB 4.33Å; F80-F169 HydrophobicContact CB-CB 3.95Å; F80-F169 HydrophobicContact CB-CG 4.44Å; F80-F169 HydrophobicContact CD1-CB 3.52Å; F80-F169 HydrophobicContact CD2-CB 3.95Å; F80-F169 HydrophobicContact CD2-CD2 4.06Å; F80-F169 HydrophobicContact CD2-CG 4.47Å; F80-F169 HydrophobicContact CE1-CB 3.87Å; F80-F169 HydrophobicContact CE2-CB 4.29Å; F80-F169 HydrophobicContact CG-CB 3.55Å; F80-F169 HydrophobicContact CG-CD2 4.34Å; F80-F169 HydrophobicContact CG-CG 4.33Å; F80-F169 HydrophobicContact CZ-CB 4.25Å; F80-Y198 HydrophobicContact CB-CE1 4.17Å
81A98.2Very high96.6Very high0 Ų040.4 Ų40.40%019%0.191CC..Hα-helixtrans-61.3-39.3-179.400000112.5C72 G77 F78 F85 I103 V139C72-A81 HydrophobicContact CB-CB 3.63Å; C72-A81 VanDerWaalsContact SG-CB 3.51Å; G77-A81 VanDerWaalsContact O-CB 3.24Å; G77-A81 WeakPolarHBondContact O-CB 3.38Å; G77-A81 PolarHBondContact O-N 2.96Å; F78-A81 PolarHBondContact O-N 2.92Å; A81-F85 WeakPolarHBondContact O-CB 3.23Å; A81-F85 PolarHBondContact O-N 3.27Å; A81-I103 HydrophobicContact CB-CD1 4.37Å; A81-V139 HydrophobicContact CB-CB 4.19Å; A81-V139 HydrophobicContact CB-CG1 3.68Å
82S98Very high96.6Very high47 Ų4740.4 Ų40.433%0.32919%0.191SC..Hα-helixtrans-63.1-48.9176.2-175.10000111.9F78 K79 F80 F85 K86F78-S82 WeakPolarHBondContact O-CB 3.49Å; F78-S82 PolarHBondContact O-N 2.9Å; K79-S82 PolarHBondContact O-N 2.83Å; F80-S82 VanDerWaalsContact C-N 3.31Å; F80-S82 PolarHBondContact O-N 2.82Å; S82-F85 PolarHBondContact O-N 2.95Å; S82-K86 PolarHBondContact O-N 2.89Å; S82-K86 VanDerWaalsContact O-N 3.07Å
83D98Very high96.5Very high36 Ų3646.8 Ų46.819%0.19322%0.219CC..Hα-helixtrans-69.4-38.6-179-68.6-5.2000111.4L49 K79 F80 T87 Y198L49-D83 HydrophobicContact CD1-CB 3.59Å; K79-D83 WeakPolarHBondContact CE-OD2 3.48Å; K79-D83 VanDerWaalsContact NZ-CG 3.31Å; K79-D83 IonicContact NZ-OD1 3.94Å; K79-D83 PolarHBondContact NZ-OD1 3.33Å; K79-D83 IonicContact NZ-OD2 2.63Å; K79-D83 PolarHBondContact NZ-OD2 3.03Å; K79-D83 PolarHBondContact O-N 3Å; K79-D83 VanDerWaalsContact O-N 3.17Å; F80-D83 PolarHBondContact O-N 2.84Å; D83-T87 PolarHBondContact O-N 3.13Å; D83-T87 VanDerWaalsContact O-N 3.08Å; D83-T87 PolarHBondContact O-OG1 2.83Å; D83-Y198 WeakPolarHBondContact CB-OH 3.3Å; D83-Y198 VanDerWaalsContact CG-OH 3.32Å; D83-Y198 WeakPolarHBondContact OD2-CE2 3.34Å; D83-Y198 PolarHBondContact OD2-OH 3.2Å
84L98.4Very high96.3Very high0 Ų051.8 Ų51.80%025%0.25CS..Hα-helixtrans-66.6-41.9174.4-175.965.7000111.7I56 F80 K86 T87 L88 L137 V139 A167I56-L84 HydrophobicContact CD1-CD1 4.18Å; I56-L84 HydrophobicContact CD1-CD2 4.42Å; F80-L84 HydrophobicContact CD2-CB 4.27Å; F80-L84 HydrophobicContact CE1-CD2 4.46Å; F80-L84 HydrophobicContact CE2-CB 4.06Å; F80-L84 HydrophobicContact CE2-CD1 4.5Å; F80-L84 HydrophobicContact CE2-CD2 4.01Å; F80-L84 HydrophobicContact CE2-CG 4.41Å; F80-L84 HydrophobicContact CZ-CD2 3.82Å; F80-L84 VanDerWaalsContact O-CB 3.24Å; F80-L84 WeakPolarHBondContact O-CB 3.27Å; F80-L84 PolarHBondContact O-N 2.78Å; L84-K86 PolarHBondContact O-N 2.98Å; L84-T87 WeakPolarHBondContact CA-OG1 3.46Å; L84-T87 PolarHBondContact O-N 3.15Å; L84-T87 PolarHBondContact O-OG1 3.48Å; L84-T87 VanDerWaalsContact O-OG1 3.1Å; L84-L88 HydrophobicContact CD1-CD1 4.24Å; L84-L88 HydrophobicContact CD1-CG 4.2Å; L84-L88 HydrophobicContact CD2-CD1 4.37Å; L84-L88 HydrophobicContact CG-CD1 3.83Å; L84-L88 HydrophobicContact CG-CG 4.25Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.33Å; L84-L88 PolarHBondContact O-N 3.4Å; L84-L137 HydrophobicContact CD2-CD2 4.39Å; L84-V139 HydrophobicContact CD2-CG1 4.46Å; L84-V139 HydrophobicContact CD2-CG2 4.13Å; L84-A167 HydrophobicContact CD2-CB 4.27Å
85F98.6Very high96.1Very high43 Ų4351.9 Ų51.919%0.18925%0.247CC..Hα-helixtrans-58.9-47.6176.2171.9-114.4000111.4I70 A81 S82 Q89 V101 I103I70-F85 HydrophobicContact CD1-CB 3.98Å; I70-F85 HydrophobicContact CD1-CD2 4.04Å; A81-F85 WeakPolarHBondContact O-CB 3.23Å; A81-F85 PolarHBondContact O-N 3.27Å; S82-F85 PolarHBondContact O-N 2.95Å; F85-Q89 HydrophobicContact CD2-CG 4.39Å; F85-Q89 HydrophobicContact CE2-CG 4.07Å; F85-Q89 VanDerWaalsContact CZ-CD 3.4Å; F85-Q89 HydrophobicContact CZ-CG 4.29Å; F85-Q89 WeakPolarHBondContact O-CG 3.46Å; F85-Q89 PolarHBondContact O-N 3.03Å; F85-V101 HydrophobicContact CD2-CB 4.39Å; F85-V101 HydrophobicContact CD2-CG1 3.64Å; F85-V101 HydrophobicContact CE2-CB 4.23Å; F85-V101 HydrophobicContact CE2-CG1 3.9Å; F85-I103 HydrophobicContact CB-CD1 4.11Å; F85-I103 HydrophobicContact CD1-CG2 4.44Å; F85-I103 HydrophobicContact CD2-CB 4.04Å; F85-I103 HydrophobicContact CD2-CG2 4.43Å; F85-I103 HydrophobicContact CE1-CG2 4.23Å; F85-I103 HydrophobicContact CE2-CB 4.15Å; F85-I103 HydrophobicContact CE2-CG2 4.22Å; F85-I103 HydrophobicContact CG-CB 4.34Å; F85-I103 HydrophobicContact CG-CD1 4.27Å; F85-I103 HydrophobicContact CZ-CG2 4.1Å
86K98.2Very high96Very high112 Ų11257.7 Ų57.749%0.48727%0.266SS..Hα-helixtrans-58.2-51.5176.8177.5178.4178-67.70111.6S82 L84 Q89 E90S82-K86 PolarHBondContact O-N 2.89Å; S82-K86 VanDerWaalsContact O-N 3.07Å; L84-K86 PolarHBondContact O-N 2.98Å; K86-Q89 PolarHBondContact O-N 3.25Å; K86-E90 VanDerWaalsContact CE-OE1 3.3Å; K86-E90 WeakPolarHBondContact CE-OE1 3.43Å; K86-E90 VanDerWaalsContact NZ-CD 3.29Å; K86-E90 IonicContact NZ-OE1 2.88Å; K86-E90 PolarHBondContact NZ-OE1 3.49Å; K86-E90 IonicContact NZ-OE2 3.6Å; K86-E90 PolarHBondContact NZ-OE2 2.93Å; K86-E90 VanDerWaalsContact NZ-OE2 3.15Å; K86-E90 WeakPolarHBondContact O-CG 3.41Å; K86-E90 PolarHBondContact O-N 2.86Å
87T97.9Very high96.1Very high13 Ų1358.3 Ų58.38%0.0827%0.268CS..Hα-helixtrans-66.4-41.1-177.744.50000111.9S53 D83 L84 Q89 E90 Y91S53-T87 WeakPolarHBondContact OG-CB 3.19Å; S53-T87 PolarHBondContact OG-OG1 3.32Å; D83-T87 PolarHBondContact O-N 3.13Å; D83-T87 VanDerWaalsContact O-N 3.08Å; D83-T87 PolarHBondContact O-OG1 2.83Å; L84-T87 WeakPolarHBondContact CA-OG1 3.46Å; L84-T87 PolarHBondContact O-N 3.15Å; L84-T87 PolarHBondContact O-OG1 3.48Å; L84-T87 VanDerWaalsContact O-OG1 3.1Å; T87-Q89 VanDerWaalsContact C-N 3.32Å; T87-Q89 PolarHBondContact O-N 3.38Å; T87-E90 PolarHBondContact O-N 3.1Å; T87-Y91 WeakPolarHBondContact O-CD2 3.45Å; T87-Y91 PolarHBondContact O-N 3.36Å
88L98.5Very high96.3Very high1 Ų163.8 Ų63.81%0.00529%0.29CS..Hα-helixtrans-58.1-42.1172.7-76.6170.3000112.3I56 L57 I70 L84 S92 V101 L137I56-L88 HydrophobicContact CB-CD2 4.09Å; I56-L88 HydrophobicContact CG2-CD2 3.87Å; L57-L88 HydrophobicContact CD1-CD2 4.38Å; L57-L88 HydrophobicContact CD2-CD2 4.18Å; L57-L88 HydrophobicContact CG-CD2 3.88Å; I70-L88 HydrophobicContact CD1-CD1 3.72Å; L84-L88 HydrophobicContact CD1-CD1 4.24Å; L84-L88 HydrophobicContact CD1-CG 4.2Å; L84-L88 HydrophobicContact CD2-CD1 4.37Å; L84-L88 HydrophobicContact CG-CD1 3.83Å; L84-L88 HydrophobicContact CG-CG 4.25Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.33Å; L84-L88 PolarHBondContact O-N 3.4Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.01Å; L88-V101 HydrophobicContact CB-CG1 4.38Å; L88-V101 HydrophobicContact CB-CG2 4.1Å; L88-L137 HydrophobicContact CD1-CD2 4.4Å
89Q97.8Very high96.4Very high59 Ų5958.7 Ų58.728%0.27627%0.267SS..Hα-helixtrans-64-49.3175.3-73.9-173.7-42.400111.8F85 K86 T87 Y91 S92 F93 V101F85-Q89 HydrophobicContact CD2-CG 4.39Å; F85-Q89 HydrophobicContact CE2-CG 4.07Å; F85-Q89 VanDerWaalsContact CZ-CD 3.4Å; F85-Q89 HydrophobicContact CZ-CG 4.29Å; F85-Q89 WeakPolarHBondContact O-CG 3.46Å; F85-Q89 PolarHBondContact O-N 3.03Å; K86-Q89 PolarHBondContact O-N 3.25Å; T87-Q89 VanDerWaalsContact C-N 3.32Å; T87-Q89 PolarHBondContact O-N 3.38Å; Q89-Y91 PolarHBondContact O-N 3.36Å; Q89-S92 PolarHBondContact O-N 3.15Å; Q89-F93 HydrophobicContact CB-CE2 4.46Å; Q89-F93 VanDerWaalsContact O-CD2 3.26Å; Q89-F93 WeakPolarHBondContact O-CD2 3.45Å; Q89-F93 WeakPolarHBondContact O-CG 3.48Å; Q89-F93 PolarHBondContact O-N 2.66Å; Q89-F93 VanDerWaalsContact O-N 3.12Å; Q89-V101 HydrophobicContact CG-CB 4.05Å; Q89-V101 HydrophobicContact CG-CG2 4.46Å
90E97.4Very high96.4Very high86 Ų8660.7 Ų60.740%0.40228%0.276SS..Hα-helixtrans-57.1-50.5-179.5-74.9173.2164.600111.7K86 T87K86-E90 VanDerWaalsContact CE-OE1 3.3Å; K86-E90 WeakPolarHBondContact CE-OE1 3.43Å; K86-E90 VanDerWaalsContact NZ-CD 3.29Å; K86-E90 IonicContact NZ-OE1 2.88Å; K86-E90 PolarHBondContact NZ-OE1 3.49Å; K86-E90 IonicContact NZ-OE2 3.6Å; K86-E90 PolarHBondContact NZ-OE2 2.93Å; K86-E90 VanDerWaalsContact NZ-OE2 3.15Å; K86-E90 WeakPolarHBondContact O-CG 3.41Å; K86-E90 PolarHBondContact O-N 2.86Å; T87-E90 PolarHBondContact O-N 3.1Å
91Y97.8Very high96.5Very high66 Ų6661 Ų6126%0.25928%0.278SS..Hα-helixtrans-70.6-33.8178.4-71-68.6000112.2D50 I54 T87 Q89 F93 T94 R95D50-Y91 HydrophobicContact CB-CE2 4.12Å; D50-Y91 WeakPolarHBondContact CB-OH 3.36Å; D50-Y91 VanDerWaalsContact CG-OH 3.22Å; D50-Y91 WeakPolarHBondContact OD1-CE2 3.38Å; D50-Y91 PolarHBondContact OD1-OH 3.18Å; I54-Y91 HydrophobicContact CD1-CD1 4.27Å; I54-Y91 HydrophobicContact CD1-CE1 3.98Å; I54-Y91 HydrophobicContact CG1-CD1 3.98Å; I54-Y91 HydrophobicContact CG1-CD2 4.39Å; I54-Y91 HydrophobicContact CG1-CE1 4.16Å; I54-Y91 HydrophobicContact CG1-CG 4.12Å; T87-Y91 WeakPolarHBondContact O-CD2 3.45Å; T87-Y91 PolarHBondContact O-N 3.36Å; Q89-Y91 PolarHBondContact O-N 3.36Å; Y91-F93 VanDerWaalsContact C-N 3.31Å; Y91-F93 PolarHBondContact O-N 3.14Å; Y91-T94 PolarHBondContact O-N 3.37Å; Y91-T94 VanDerWaalsContact O-N 3.17Å; Y91-T94 PolarHBondContact O-OG1 3.06Å; Y91-R95 WeakPolarHBondContact O-CG 3.3Å
92S97.6Very high96.5Very high1 Ų162.3 Ų62.31%0.00729%0.287CS..Hα-helixtrans-61.3-36.8178-177.10000112.6L88 Q89 T94 R95 Y98 I99L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.01Å; Q89-S92 PolarHBondContact O-N 3.15Å; S92-T94 PolarHBondContact O-N 2.97Å; S92-T94 VanDerWaalsContact O-N 3.16Å; S92-R95 WeakPolarHBondContact O-CB 3.28Å; S92-R95 PolarHBondContact O-N 3.38Å; S92-Y98 WeakPolarHBondContact OG-CD2 3.13Å; S92-I99 PolarHBondContact OG-N 3.47Å; S92-I99 PolarHBondContact OG-O 3.45Å
93F95.6Very high96.5Very high134 Ų13462.3 Ų62.359%0.58828%0.283SS*.THydrogen-bonded Turntrans-61.5-23.9177.6-66.2-39.4000114Q89 Y91 Y98Q89-F93 HydrophobicContact CB-CE2 4.46Å; Q89-F93 VanDerWaalsContact O-CD2 3.26Å; Q89-F93 WeakPolarHBondContact O-CD2 3.45Å; Q89-F93 WeakPolarHBondContact O-CG 3.48Å; Q89-F93 PolarHBondContact O-N 2.66Å; Q89-F93 VanDerWaalsContact O-N 3.12Å; Y91-F93 VanDerWaalsContact C-N 3.31Å; Y91-F93 PolarHBondContact O-N 3.14Å; F93-Y98 HydrophobicContact CD1-CD2 4.15Å; F93-Y98 AromaticContact CD1-CE2 3.56Å; F93-Y98 HydrophobicContact CD1-CE2 3.56Å; F93-Y98 AromaticContact CE1-CE2 3.67Å; F93-Y98 HydrophobicContact CE1-CE2 3.67Å
94T91.5Very high96.4Very high113 Ų11361.7 Ų61.769%0.69328%0.28SS*.THydrogen-bonded Turntrans-93.5-5.1179.169.30000113.2Y91 S92Y91-T94 PolarHBondContact O-N 3.37Å; Y91-T94 VanDerWaalsContact O-N 3.17Å; Y91-T94 PolarHBondContact O-OG1 3.06Å; S92-T94 PolarHBondContact O-N 2.97Å; S92-T94 VanDerWaalsContact O-N 3.16Å
95R91.7Very high96.4Very high50 Ų5064.8 Ų64.819%0.18929%0.293CS..SBendtrans-78.1148.3-178.6-62.5-52.1-171.3138.2-4.5111.9I54 L57 D58 E61 Y91 S92 S97I54-R95 PolarHBondContact O-NH2 3.37Å; I54-R95 VanDerWaalsContact O-NH2 3.15Å; L57-R95 HydrophobicContact CD1-CG 4.47Å; D58-R95 IonicContact OD1-CZ 2.76Å; D58-R95 IonicContact OD1-NH1 2.55Å; D58-R95 PolarHBondContact OD1-NH1 3.48Å; D58-R95 IonicContact OD1-NH2 2.65Å; D58-R95 PolarHBondContact OD1-NH2 3.27Å; E61-R95 IonicContact OE2-NH1 2.66Å; E61-R95 PolarHBondContact OE2-NH1 2.6Å; Y91-R95 WeakPolarHBondContact O-CG 3.3Å; S92-R95 WeakPolarHBondContact O-CB 3.28Å; S92-R95 PolarHBondContact O-N 3.38Å; R95-S97 VanDerWaalsContact C-N 3.3Å; R95-S97 PolarHBondContact O-N 2.65Å
96R88.9Confident96.3Very high252 Ų25262.8 Ų62.895%0.95129%0.285SS*.SBendtrans-62.7-41.1173.3-178.1178.8178.8172.60.7110.9
97S90.7Very high96Very high24 Ų2459.2 Ų59.217%0.16828%0.276CS..SBendtrans-10394.9171172.50000108.8E61 K66 R95 I99E61-S97 WeakPolarHBondContact OE1-CB 3.37Å; E61-S97 PolarHBondContact OE1-N 2.76Å; K66-S97 PolarHBondContact NZ-OG 3.26Å; R95-S97 VanDerWaalsContact C-N 3.3Å; R95-S97 PolarHBondContact O-N 2.65Å; S97-I99 PolarHBondContact O-N 2.83Å
98Y95.9Very high95.7Very high116 Ų11659.9 Ų59.946%0.45528%0.283SS..  trans-54.2129173.2175.1-117.3000111.3S92 F93 K100S92-Y98 WeakPolarHBondContact OG-CD2 3.13Å; F93-Y98 HydrophobicContact CD1-CD2 4.15Å; F93-Y98 AromaticContact CD1-CE2 3.56Å; F93-Y98 HydrophobicContact CD1-CE2 3.56Å; F93-Y98 AromaticContact CE1-CE2 3.67Å; F93-Y98 HydrophobicContact CE1-CE2 3.67Å; Y98-K100 HydrophobicContact CE1-CB 4.22Å
99I98.1Very high95Very high0 Ų062.3 Ų62.30%030%0.3CS..  trans-111.9115.9176.3-65161.4000108.1L57 E61 V65 K66 V68 S92 S97 V101L57-I99 HydrophobicContact CD2-CB 4.29Å; L57-I99 HydrophobicContact CD2-CD1 3.82Å; E61-I99 HydrophobicContact CG-CD1 3.98Å; V65-I99 HydrophobicContact CG1-CG2 4.35Å; K66-I99 WeakPolarHBondContact O-CA 3.3Å; V68-I99 HydrophobicContact CG1-CG2 4.35Å; S92-I99 PolarHBondContact OG-N 3.47Å; S92-I99 PolarHBondContact OG-O 3.45Å; S97-I99 PolarHBondContact O-N 2.83Å; I99-V101 PolarHBondContact O-N 2.92Å
100K98.2Very high93.8Very high120 Ų12063.3 Ų63.352%0.52231%0.31SS..EExtended strand (participates in β ladder)trans-71.6120.6176.7-177.3179.4178.1-179.90110.1K66 S67 V68 Y98K66-K100 PolarHBondContact O-N 2.89Å; S67-K100 CarbonylContact C-O 3.56Å; S67-K100 WeakPolarHBondContact CA-O 3.4Å; V68-K100 PolarHBondContact N-O 3.41Å; Y98-K100 HydrophobicContact CE1-CB 4.22Å
101V98.5Very high91.6Very high8 Ų866.1 Ų66.15%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-102.4129.6176.2-167.40000109V68 I70 F85 L88 Q89 I99V68-V101 HydrophobicContact CG1-CB 4.41Å; V68-V101 HydrophobicContact CG1-CG1 4.1Å; V68-V101 HydrophobicContact CG1-CG2 4.23Å; I70-V101 HydrophobicContact CD1-CG1 3.74Å; I70-V101 HydrophobicContact CG1-CG1 4.1Å; F85-V101 HydrophobicContact CD2-CB 4.39Å; F85-V101 HydrophobicContact CD2-CG1 3.64Å; F85-V101 HydrophobicContact CE2-CB 4.23Å; F85-V101 HydrophobicContact CE2-CG1 3.9Å; L88-V101 HydrophobicContact CB-CG1 4.38Å; L88-V101 HydrophobicContact CB-CG2 4.1Å; Q89-V101 HydrophobicContact CG-CB 4.05Å; Q89-V101 HydrophobicContact CG-CG2 4.46Å; I99-V101 PolarHBondContact O-N 2.92Å
102S98.1Very high89Confident28 Ų2868 Ų6820%0.19634%0.336CS..EExtended strand (participates in β ladder)trans-125.1157172.7-60.70000109.2V68 I70V68-S102 PolarHBondContact O-N 3.41Å; I70-S102 PolarHBondContact N-O 3.19Å
103I97.9Very high86.2Confident47 Ų4773.2 Ų73.224%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-127144.6-179.1-169.8163.8000110.9I70 A81 F85 F105I70-I103 HydrophobicContact CB-CB 4.38Å; I70-I103 HydrophobicContact CB-CG1 4.16Å; I70-I103 HydrophobicContact CG2-CD1 4.2Å; I70-I103 HydrophobicContact CG2-CG1 4.01Å; I70-I103 CarbonylContact O-C 3.51Å; I70-I103 WeakPolarHBondContact O-CA 3.35Å; A81-I103 HydrophobicContact CB-CD1 4.37Å; F85-I103 HydrophobicContact CB-CD1 4.11Å; F85-I103 HydrophobicContact CD1-CG2 4.44Å; F85-I103 HydrophobicContact CD2-CB 4.04Å; F85-I103 HydrophobicContact CD2-CG2 4.43Å; F85-I103 HydrophobicContact CE1-CG2 4.23Å; F85-I103 HydrophobicContact CE2-CB 4.15Å; F85-I103 HydrophobicContact CE2-CG2 4.22Å; F85-I103 HydrophobicContact CG-CB 4.34Å; F85-I103 HydrophobicContact CG-CD1 4.27Å; F85-I103 HydrophobicContact CZ-CG2 4.1Å; I103-F105 HydrophobicContact CD1-CE1 4.4Å; I103-F105 HydrophobicContact CD1-CZ 4.29Å; I103-F105 HydrophobicContact CG1-CZ 4.23Å
104D97.3Very high83.8Confident23 Ų2375.1 Ų75.112%0.12338%0.38CS..EExtended strand (participates in β ladder)trans-144.8178.4172.4-140.4-83.6000111.5I70 C72 T126 K130 F131I70-D104 PolarHBondContact O-N 3.24Å; C72-D104 WeakPolarHBondContact CB-O 3.28Å; C72-D104 PolarHBondContact N-O 3.18Å; D104-T126 WeakPolarHBondContact OD1-CB 3.29Å; D104-T126 WeakPolarHBondContact OD1-CG2 3.37Å; D104-K130 IonicContact OD1-NZ 3.32Å; D104-K130 IonicContact OD2-NZ 2.6Å; D104-K130 PolarHBondContact OD2-NZ 3.23Å; D104-F131 HydrophobicContact CB-CE1 4.41Å; D104-F131 HydrophobicContact CB-CZ 3.9Å
105F97.6Very high81.3Confident65 Ų6574 Ų7429%0.28538%0.377SS..EExtended strand (participates in β ladder)trans-136139.2-169.6-54-86000112C72 L74 F78 I103 C125C72-F105 HydrophobicContact CB-CD1 3.61Å; C72-F105 HydrophobicContact CB-CE1 3.88Å; C72-F105 WeakPolarHBondContact O-CA 3.49Å; L74-F105 HydrophobicContact CD1-CB 3.87Å; L74-F105 HydrophobicContact CD1-CD1 4.21Å; L74-F105 HydrophobicContact CD1-CG 4.31Å; L74-F105 HydrophobicContact CD2-CD1 3.91Å; L74-F105 HydrophobicContact CG-CB 4.21Å; L74-F105 HydrophobicContact CG-CD1 4.1Å; F78-F105 HydrophobicContact CD2-CE1 4.43Å; I103-F105 HydrophobicContact CD1-CE1 4.4Å; I103-F105 HydrophobicContact CD1-CZ 4.29Å; I103-F105 HydrophobicContact CG1-CZ 4.23Å; F105-C125 HydrophobicContact CB-CB 4.26Å; F105-C125 WeakPolarHBondContact O-CB 3.4Å; F105-C125 PolarHBondContact O-N 2.87Å
106L96Very high78.8Confident1 Ų178.5 Ų78.51%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-123.7133.3165-67.2179.9000108I71 C72 I73 L74 I122 P124 M128 F155 V156I71-L106 HydrophobicContact CG2-CB 4.16Å; I71-L106 HydrophobicContact CG2-CD1 3.54Å; I71-L106 HydrophobicContact CG2-CG 3.46Å; I71-L106 VanDerWaalsContact CG2-CG 3.46Å; C72-L106 PolarHBondContact O-N 2.93Å; I73-L106 WeakPolarHBondContact CA-O 3.28Å; I73-L106 HydrophobicContact CD1-CB 3.99Å; I73-L106 HydrophobicContact CD1-CD1 4.32Å; L74-L106 PolarHBondContact N-O 3.47Å; L106-I122 HydrophobicContact CD1-CG2 4.23Å; L106-P124 VanDerWaalsContact CD2-CA 3.45Å; L106-P124 HydrophobicContact CD2-CB 3.81Å; L106-P124 HydrophobicContact CD2-CG 4.07Å; L106-M128 HydrophobicContact CD1-CE 4.33Å; L106-M128 HydrophobicContact CD2-CE 4.19Å; L106-M128 HydrophobicContact CD2-SD 3.68Å; L106-F155 HydrophobicContact CD1-CD1 4.31Å; L106-F155 HydrophobicContact CD1-CE1 4.3Å; L106-F155 HydrophobicContact CD2-CE1 4.42Å; L106-V156 HydrophobicContact CD1-CG2 4.13Å
107A93.8Very high76.9Confident37 Ų3768.7 Ų68.731%0.30639%0.387SS..EExtended strand (participates in β ladder)trans-85128.1165.500000108.7T123A107-T123 PolarHBondContact N-O 3.29Å; A107-T123 PolarHBondContact O-N 3.09Å
108A90.9Very high75.2Confident27 Ų2773.2 Ų73.222%0.22341%0.405CS..EExtended strand (participates in β ladder)trans-126.5134.4173.600000109.5I73 L74 T120 N121 L152I73-A108 HydrophobicContact CG2-CB 3.69Å; L74-A108 PolarHBondContact O-N 3.39Å; A108-T120 HydrophobicContact CB-CG2 4.04Å; A108-N121 VanDerWaalsContact CA-O 3.31Å; A108-N121 WeakPolarHBondContact CA-O 3.32Å; A108-L152 HydrophobicContact CB-CD2 4.05Å
109S84.1Confident73.9Confident52 Ų5273.9 Ų73.936%0.36442%0.417SS..EExtended strand (participates in β ladder)trans-136.4134.2176.260.10000109.5N121S109-N121 PolarHBondContact N-O 3.23Å; S109-N121 PolarHBondContact O-N 3.34Å
110T71.4Confident73.1Confident79 Ų7974.9 Ų74.949%0.48542%0.423SS..EExtended strand (participates in β ladder)trans-89124.3170.447.40000108.9
111Y50.8Low72.6Confident146 Ų14672.9 Ų72.957%0.57342%0.418SS*.  trans-88.6142.9165.9-82.6-87000109.3D119 N121Y111-D119 PolarHBondContact N-O 3.44Å; Y111-N121 HydrophobicContact CD2-CB 4.45Å; Y111-N121 HydrophobicContact CE2-CB 4.5Å
112V44.5Very low72.3Confident106 Ų10673.7 Ų73.764%0.64242%0.421SS*.  trans-99.994.3162.4-178.20000105.2
113D38.8Very low72.1Confident110 Ų11075.9 Ų75.959%0.58843%0.434SS*.  trans-81.8131.5162.1-83.8-25.4000107.5S115D113-S115 PolarHBondContact O-N 3.47Å
114D45Very low71.8Confident174 Ų17476 Ų7693%0.9344%0.437SS*.SBendtrans-57.5-7.6-179.7-74.6-34.2000113.4
115S39.2Very low71.5Confident88 Ų8878.6 Ų78.662%0.61546%0.457SS*.SBendtrans-123.898.4174.857.10000110.8D113D113-S115 PolarHBondContact O-N 3.47Å
116V39.5Very low71.3Confident146 Ų14677.7 Ų77.789%0.88546%0.457SS*.SBendtrans68.281.2154.2-159.10000116
117G49Very low71.3Confident46 Ų4683 Ų8347%0.47449%0.485SS..  trans117.5148.9152.500000115.5D119G117-D119 PolarHBondContact O-N 2.87Å
118H55.4Low71.4Confident119 Ų11981.5 Ų81.555%0.55147%0.472SS*.  trans-9176.8172.1-60.8-67.3000108.9T120H118-T120 PolarHBondContact O-N 3.43Å
119D68.3Low71.7Confident129 Ų12984.3 Ų84.369%0.6948%0.48SS*.  trans-71.1125.4172.6-82.1-11.3000109.2Y111 G117 N121Y111-D119 PolarHBondContact N-O 3.44Å; G117-D119 PolarHBondContact O-N 2.87Å; D119-N121 PolarHBondContact O-N 2.87Å
120T80.4Confident72.3Confident22 Ų2285 Ų8514%0.13548%0.477CS..EExtended strand (participates in β ladder)trans-84.4111.1176.3-52.90000108.5A108 H118 I122A108-T120 HydrophobicContact CB-CG2 4.04Å; H118-T120 PolarHBondContact O-N 3.43Å; T120-I122 HydrophobicContact CG2-CD1 4.48Å; T120-I122 HydrophobicContact CG2-CG1 3.93Å
121N88.4Confident73.6Confident78 Ų7881.3 Ų81.342%0.41745%0.454SS..EExtended strand (participates in β ladder)trans-77.6122.9170.3-175.522.3000109.2A108 S109 Y111 D119A108-N121 VanDerWaalsContact CA-O 3.31Å; A108-N121 WeakPolarHBondContact CA-O 3.32Å; S109-N121 PolarHBondContact N-O 3.23Å; S109-N121 PolarHBondContact O-N 3.34Å; Y111-N121 HydrophobicContact CD2-CB 4.45Å; Y111-N121 HydrophobicContact CE2-CB 4.5Å; D119-N121 PolarHBondContact O-N 2.87Å
122I92.5Very high75.9Confident24 Ų2478.2 Ų78.212%0.12344%0.441CS..EExtended strand (participates in β ladder)trans-116.5117.9-176.4-57.9165.7000108.6L106 T120 L152 F155L106-I122 HydrophobicContact CD1-CG2 4.23Å; T120-I122 HydrophobicContact CG2-CD1 4.48Å; T120-I122 HydrophobicContact CG2-CG1 3.93Å; I122-L152 HydrophobicContact CD1-CD2 3.82Å; I122-L152 HydrophobicContact CD1-CG 4.37Å; I122-L152 HydrophobicContact CG1-CD2 3.92Å; I122-L152 HydrophobicContact CG2-CD2 4.36Å; I122-F155 HydrophobicContact CB-CD1 4.43Å; I122-F155 HydrophobicContact CB-CD2 4.42Å; I122-F155 HydrophobicContact CB-CG 4.36Å; I122-F155 HydrophobicContact CD1-CB 3.48Å; I122-F155 VanDerWaalsContact CD1-CB 3.48Å; I122-F155 HydrophobicContact CD1-CD1 4.23Å; I122-F155 HydrophobicContact CD1-CD2 4.22Å; I122-F155 HydrophobicContact CD1-CG 3.72Å; I122-F155 HydrophobicContact CG2-CD1 3.62Å; I122-F155 HydrophobicContact CG2-CD2 4.39Å; I122-F155 HydrophobicContact CG2-CE1 3.6Å; I122-F155 HydrophobicContact CG2-CE2 4.4Å; I122-F155 HydrophobicContact CG2-CG 4.03Å; I122-F155 HydrophobicContact CG2-CZ 4.03Å
123T93.7Very high78.4Confident75 Ų7578.9 Ų78.946%0.4644%0.441SS..EExtended strand (participates in β ladder)trans-113.8108.3178.7-59.30000110A107A107-T123 PolarHBondContact N-O 3.29Å; A107-T123 PolarHBondContact O-N 3.09Å
124P92.1Very high81.3Confident48 Ų4877.4 Ų77.431%0.31243%0.43SS..EExtended strand (participates in β ladder)trans-64.9134.4174-24.535.7000114L106 T126 M128 F155L106-P124 VanDerWaalsContact CD2-CA 3.45Å; L106-P124 HydrophobicContact CD2-CB 3.81Å; L106-P124 HydrophobicContact CD2-CG 4.07Å; P124-T126 VanDerWaalsContact C-N 3.26Å; P124-T126 WeakPolarHBondContact CB-O 3.26Å; P124-M128 HydrophobicContact CB-CG 3.81Å; P124-M128 HydrophobicContact CB-SD 3.76Å; P124-M128 HydrophobicContact CG-CG 3.74Å; P124-M128 HydrophobicContact CG-SD 3.99Å; P124-F155 HydrophobicContact CG-CE1 3.94Å; P124-F155 HydrophobicContact CG-CZ 3.55Å
125C91.1Very high83.8Confident79 Ų7969.5 Ų69.553%0.53439%0.387SS..SBendtrans-88.43.7170.3-55.20000112.4F105F105-C125 HydrophobicContact CB-CB 4.26Å; F105-C125 WeakPolarHBondContact O-CB 3.4Å; F105-C125 PolarHBondContact O-N 2.87Å
126T92.6Very high86.6Confident46 Ų4665.3 Ų65.328%0.28236%0.358SS..SBendtrans-151.2170.3-175-158.30000111.6D104 P124 M128 K130 F131D104-T126 WeakPolarHBondContact OD1-CB 3.29Å; D104-T126 WeakPolarHBondContact OD1-CG2 3.37Å; P124-T126 VanDerWaalsContact C-N 3.26Å; P124-T126 WeakPolarHBondContact CB-O 3.26Å; T126-M128 HydrophobicContact CG2-SD 4.42Å; T126-M128 PolarHBondContact O-N 3.47Å; T126-K130 HydrophobicContact CG2-CD 4.32Å; T126-K130 VanDerWaalsContact CG2-CE 3.48Å; T126-K130 VanDerWaalsContact CG2-NZ 3.33Å; T126-K130 PolarHBondContact OG1-NZ 2.91Å; T126-F131 HydrophobicContact CG2-CE2 3.93Å; T126-F131 HydrophobicContact CG2-CZ 4.04Å
127N95.7Very high89.5Confident112 Ų11258.4 Ų58.460%0.59932%0.316SS*.  trans-73.1114.4168.5-175.7-9.5000110E129 K130N127-E129 VanDerWaalsContact C-N 3.29Å; N127-E129 PolarHBondContact O-N 3.05Å; N127-E129 WeakPolarHBondContact OD1-CB 3.38Å; N127-E129 PolarHBondContact OD1-N 3.07Å; N127-K130 WeakPolarHBondContact O-CD 3.36Å; N127-K130 VanDerWaalsContact O-CG 3.27Å; N127-K130 WeakPolarHBondContact O-CG 3.33Å; N127-K130 PolarHBondContact O-N 3.29Å
128M96.9Very high91.8Very high5 Ų556.2 Ų56.23%0.02529%0.294CS..G310 helixtrans-67.3-22.8-176.7-64.1-58-6700114.3L106 P124 T126 K130 F131 F155 V156 Y159L106-M128 HydrophobicContact CD1-CE 4.33Å; L106-M128 HydrophobicContact CD2-CE 4.19Å; L106-M128 HydrophobicContact CD2-SD 3.68Å; P124-M128 HydrophobicContact CB-CG 3.81Å; P124-M128 HydrophobicContact CB-SD 3.76Å; P124-M128 HydrophobicContact CG-CG 3.74Å; P124-M128 HydrophobicContact CG-SD 3.99Å; T126-M128 HydrophobicContact CG2-SD 4.42Å; T126-M128 PolarHBondContact O-N 3.47Å; M128-K130 PolarHBondContact O-N 3.35Å; M128-F131 HydrophobicContact CE-CD2 3.72Å; M128-F131 HydrophobicContact CE-CE2 3.8Å; M128-F131 WeakPolarHBondContact O-CD2 3.38Å; M128-F131 PolarHBondContact O-N 3.04Å; M128-F131 VanDerWaalsContact O-N 3.07Å; M128-F131 HydrophobicContact SD-CD2 4.04Å; M128-F131 HydrophobicContact SD-CE2 3.68Å; M128-F155 HydrophobicContact CE-CD1 4.29Å; M128-F155 HydrophobicContact CE-CE1 3.7Å; M128-F155 HydrophobicContact CG-CE1 4.34Å; M128-F155 HydrophobicContact CG-CZ 4.4Å; M128-F155 HydrophobicContact SD-CE1 4.25Å; M128-V156 HydrophobicContact CE-CG2 4.34Å; M128-Y159 HydrophobicContact CB-CD1 3.56Å; M128-Y159 HydrophobicContact CB-CD2 3.69Å; M128-Y159 HydrophobicContact CB-CE1 3.36Å; M128-Y159 HydrophobicContact CB-CE2 3.48Å; M128-Y159 VanDerWaalsContact CB-CE2 3.48Å; M128-Y159 HydrophobicContact CB-CG 3.71Å; M128-Y159 HydrophobicContact CE-CD2 4.03Å; M128-Y159 HydrophobicContact CE-CE2 4.04Å; M128-Y159 HydrophobicContact CG-CD2 4.31Å; M128-Y159 HydrophobicContact CG-CE1 4.25Å; M128-Y159 HydrophobicContact CG-CE2 3.75Å
129E97.1Very high93.8Very high86 Ų8650.6 Ų50.640%0.40227%0.267SS..G310 helixtrans-58.8-22.9178.9-72.7-61.314600113.2N127 F131 R132N127-E129 VanDerWaalsContact C-N 3.29Å; N127-E129 PolarHBondContact O-N 3.05Å; N127-E129 WeakPolarHBondContact OD1-CB 3.38Å; N127-E129 PolarHBondContact OD1-N 3.07Å; E129-F131 PolarHBondContact O-N 2.8Å; E129-R132 VanDerWaalsContact O-CB 3.23Å; E129-R132 WeakPolarHBondContact O-CB 3.16Å; E129-R132 PolarHBondContact O-N 3.47Å; E129-R132 IonicContact OE1-NH2 2.87Å; E129-R132 IonicContact OE2-CZ 2.76Å; E129-R132 IonicContact OE2-NE 3.17Å; E129-R132 PolarHBondContact OE2-NE 2.87Å; E129-R132 IonicContact OE2-NH2 3.74Å; E129-R132 PolarHBondContact OE2-NH2 3.11Å
130K96.7Very high95.1Very high68 Ų6845.4 Ų45.430%0.29624%0.239SC..G310 helixtrans-66-17.3178.578.4-171.4-173.4-176.60114D104 T126 N127 M128 R132 K134D104-K130 IonicContact OD1-NZ 3.32Å; D104-K130 IonicContact OD2-NZ 2.6Å; D104-K130 PolarHBondContact OD2-NZ 3.23Å; T126-K130 HydrophobicContact CG2-CD 4.32Å; T126-K130 VanDerWaalsContact CG2-CE 3.48Å; T126-K130 VanDerWaalsContact CG2-NZ 3.33Å; T126-K130 PolarHBondContact OG1-NZ 2.91Å; N127-K130 WeakPolarHBondContact O-CD 3.36Å; N127-K130 VanDerWaalsContact O-CG 3.27Å; N127-K130 WeakPolarHBondContact O-CG 3.33Å; N127-K130 PolarHBondContact O-N 3.29Å; M128-K130 PolarHBondContact O-N 3.35Å; K130-R132 VanDerWaalsContact C-N 3.34Å; K130-K134 WeakPolarHBondContact O-CG 3.34Å
131F97.9Very high95.7Very high1 Ų145.7 Ų45.70%0.00424%0.24CC..G310 helixtrans-86.4-7.3179.4-57.4-56.9000113.1Y69 I71 D104 T126 M128 E129 D133 K134 V136 P161Y69-F131 HydrophobicContact CD1-CD1 4.35Å; Y69-F131 AromaticContact CD1-CE1 3.82Å; Y69-F131 HydrophobicContact CD1-CE1 3.82Å; Y69-F131 HydrophobicContact CD2-CD1 4.16Å; Y69-F131 HydrophobicContact CD2-CE1 4.44Å; Y69-F131 AromaticContact CG-CD1 3.89Å; Y69-F131 HydrophobicContact CG-CD1 3.89Å; Y69-F131 AromaticContact CG-CE1 3.75Å; Y69-F131 HydrophobicContact CG-CE1 3.75Å; I71-F131 HydrophobicContact CD1-CD1 4.33Å; I71-F131 HydrophobicContact CD1-CD2 4.04Å; I71-F131 HydrophobicContact CD1-CE1 4.07Å; I71-F131 HydrophobicContact CD1-CE2 3.75Å; I71-F131 HydrophobicContact CD1-CG 4.31Å; I71-F131 HydrophobicContact CD1-CZ 3.76Å; I71-F131 HydrophobicContact CG1-CE1 4.14Å; I71-F131 HydrophobicContact CG1-CE2 4.41Å; I71-F131 HydrophobicContact CG1-CZ 3.94Å; D104-F131 HydrophobicContact CB-CE1 4.41Å; D104-F131 HydrophobicContact CB-CZ 3.9Å; T126-F131 HydrophobicContact CG2-CE2 3.93Å; T126-F131 HydrophobicContact CG2-CZ 4.04Å; M128-F131 HydrophobicContact CE-CD2 3.72Å; M128-F131 HydrophobicContact CE-CE2 3.8Å; M128-F131 WeakPolarHBondContact O-CD2 3.38Å; M128-F131 PolarHBondContact O-N 3.04Å; M128-F131 VanDerWaalsContact O-N 3.07Å; M128-F131 HydrophobicContact SD-CD2 4.04Å; M128-F131 HydrophobicContact SD-CE2 3.68Å; E129-F131 PolarHBondContact O-N 2.8Å; F131-D133 PolarHBondContact O-N 2.8Å; F131-K134 WeakPolarHBondContact O-CB 3.43Å; F131-K134 PolarHBondContact O-N 3Å; F131-V136 HydrophobicContact CB-CG2 4.12Å; F131-V136 HydrophobicContact CD1-CG2 4.26Å; F131-V136 HydrophobicContact CG-CG2 4.42Å; F131-P161 WeakPolarHBondContact O-CA 3.25Å
132R98.4Very high95.9Very high81 Ų8143.9 Ų43.931%0.30623%0.229SC..THydrogen-bonded Turntrans-55.1131.5173.6-176.4178-64.6-74.8-3.9111.4E129 K130 K134 Y159 E160E129-R132 VanDerWaalsContact O-CB 3.23Å; E129-R132 WeakPolarHBondContact O-CB 3.16Å; E129-R132 PolarHBondContact O-N 3.47Å; E129-R132 IonicContact OE1-NH2 2.87Å; E129-R132 IonicContact OE2-CZ 2.76Å; E129-R132 IonicContact OE2-NE 3.17Å; E129-R132 PolarHBondContact OE2-NE 2.87Å; E129-R132 IonicContact OE2-NH2 3.74Å; E129-R132 PolarHBondContact OE2-NH2 3.11Å; K130-R132 VanDerWaalsContact C-N 3.34Å; R132-K134 WeakPolarHBondContact O-CG 3.31Å; R132-K134 PolarHBondContact O-N 2.92Å; R132-K134 VanDerWaalsContact O-N 3.07Å; R132-Y159 VanDerWaalsContact CA-O 3.27Å; R132-Y159 WeakPolarHBondContact CA-O 3.24Å; R132-Y159 WeakPolarHBondContact CB-O 3.39Å; R132-E160 IonicContact CZ-OE2 2.79Å; R132-E160 IonicContact NH1-OE2 2.84Å; R132-E160 PolarHBondContact NH1-OE2 3.26Å
133D98.3Very high95.7Very high119 Ų11943.1 Ų43.164%0.63623%0.226SC*.THydrogen-bonded Turntrans56.120.2-176.3-57.9-52.2000114.4F131 E160F131-D133 PolarHBondContact O-N 2.8Å; D133-E160 PolarHBondContact N-O 3.43Å
134K98.4Very high95.3Very high80 Ų8042.7 Ų42.735%0.34822%0.221SC..  trans-104.4152.9175.3-52.5-53.2177-168.10111.7Y69 K130 F131 R132 P161 K162 S163Y69-K134 HydrophobicContact CD2-CB 4Å; Y69-K134 HydrophobicContact CD2-CG 4.11Å; Y69-K134 HydrophobicContact CE2-CB 4.34Å; Y69-K134 HydrophobicContact CE2-CD 4.35Å; Y69-K134 HydrophobicContact CE2-CG 3.94Å; K130-K134 WeakPolarHBondContact O-CG 3.34Å; F131-K134 WeakPolarHBondContact O-CB 3.43Å; F131-K134 PolarHBondContact O-N 3Å; R132-K134 WeakPolarHBondContact O-CG 3.31Å; R132-K134 PolarHBondContact O-N 2.92Å; R132-K134 VanDerWaalsContact O-N 3.07Å; K134-P161 CarbonylContact O-C 3.54Å; K134-P161 WeakPolarHBondContact O-CB 3.24Å; K134-K162 PolarHBondContact O-N 3.08Å; K134-S163 PolarHBondContact O-N 3.19Å
135D98.6Very high94.7Very high8 Ų843.5 Ų43.54%0.04323%0.225CC..EExtended strand (participates in β ladder)trans-80.3128.7167.2-60-66.1000108.2V65 V68 Y69 K162 S163V65-D135 HydrophobicContact CG1-CB 4.02Å; V65-D135 HydrophobicContact CG2-CB 4.39Å; V68-D135 WeakPolarHBondContact CA-O 3.39Å; Y69-D135 PolarHBondContact N-O 3.08Å; D135-K162 IonicContact OD1-NZ 3.23Å; D135-K162 PolarHBondContact OD1-NZ 2.86Å; D135-K162 IonicContact OD2-NZ 3.5Å; D135-K162 PolarHBondContact OD2-NZ 2.95Å; D135-S163 WeakPolarHBondContact CB-OG 3.08Å; D135-S163 WeakPolarHBondContact OD1-CB 3.49Å; D135-S163 PolarHBondContact OD1-OG 2.99Å
136V98.6Very high94.4Very high0 Ų039.9 Ų39.90%020%0.201CC..EExtended strand (participates in β ladder)trans-124.5138.4-173.9175.20000110.5Y69 I71 F131 I138 V156 P161 S163 V164 Y165Y69-V136 CarbonylContact O-C 3.59Å; Y69-V136 WeakPolarHBondContact O-CA 3.5Å; I71-V136 HydrophobicContact CD1-CG1 3.45Å; I71-V136 VanDerWaalsContact CD1-CG1 3.45Å; I71-V136 HydrophobicContact CG1-CG1 3.82Å; F131-V136 HydrophobicContact CB-CG2 4.12Å; F131-V136 HydrophobicContact CD1-CG2 4.26Å; F131-V136 HydrophobicContact CG-CG2 4.42Å; V136-I138 HydrophobicContact CG1-CG1 4.39Å; V136-V156 HydrophobicContact CG1-CG1 4.12Å; V136-P161 HydrophobicContact CG2-CB 4Å; V136-S163 PolarHBondContact N-O 2.82Å; V136-V164 WeakPolarHBondContact O-CA 3.18Å; V136-Y165 WeakPolarHBondContact O-CD2 3.33Å; V136-Y165 PolarHBondContact O-N 2.63Å
137L98.5Very high94.1Very high0 Ų040.7 Ų40.70%021%0.206CC..EExtended strand (participates in β ladder)trans-119.3107.1171.5-179.863.1000109.3I56 V68 Y69 I70 I71 L84 L88 V139 Y165 A167 Y185I56-L137 HydrophobicContact CD1-CD2 4.43Å; V68-L137 HydrophobicContact CG2-CB 3.98Å; Y69-L137 PolarHBondContact O-N 2.91Å; I70-L137 CarbonylContact C-O 3.54Å; I70-L137 VanDerWaalsContact CA-O 3.3Å; I70-L137 WeakPolarHBondContact CA-O 3.43Å; I70-L137 HydrophobicContact CG1-CD2 4.36Å; I71-L137 PolarHBondContact N-O 2.84Å; L84-L137 HydrophobicContact CD2-CD2 4.39Å; L88-L137 HydrophobicContact CD1-CD2 4.4Å; L137-V139 HydrophobicContact CD2-CG2 4.12Å; L137-V139 HydrophobicContact CG-CG2 3.9Å; L137-Y165 WeakPolarHBondContact CA-O 3.32Å; L137-A167 HydrophobicContact CD1-CB 3.87Å; L137-A167 HydrophobicContact CD2-CB 4.37Å; L137-A167 HydrophobicContact CG-CB 4.34Å; L137-Y185 HydrophobicContact CD1-CD2 4.13Å; L137-Y185 HydrophobicContact CD1-CE2 4.2Å
138I97.9Very high93.7Very high1 Ų137.1 Ų37.11%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-73.9131.1171.4-57.6-179.1000108.2I73 V136 L149 L152 E153 V156 V164 Y165 S166 A167I73-I138 HydrophobicContact CD1-CG2 3.89Å; I73-I138 HydrophobicContact CG1-CG2 3.83Å; V136-I138 HydrophobicContact CG1-CG1 4.39Å; I138-L149 HydrophobicContact CG2-CD1 4.04Å; I138-L152 HydrophobicContact CD1-CB 4.45Å; I138-E153 HydrophobicContact CD1-CB 4.46Å; I138-E153 HydrophobicContact CD1-CG 3.75Å; I138-V156 HydrophobicContact CD1-CB 4.21Å; I138-V156 HydrophobicContact CD1-CG2 3.85Å; I138-V156 HydrophobicContact CG1-CG2 4.41Å; I138-V164 HydrophobicContact CD1-CG1 3.95Å; I138-V164 HydrophobicContact CG1-CG1 4.24Å; I138-Y165 PolarHBondContact N-O 2.96Å; I138-S166 CarbonylContact O-C 3.41Å; I138-S166 WeakPolarHBondContact O-CA 3.29Å; I138-A167 PolarHBondContact O-N 2.79Å
139V98Very high93.3Very high0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-123.7119.8-177.4179.50000110.5I70 I71 I73 F80 A81 L84 L137 A167I70-V139 HydrophobicContact CG2-CB 4.1Å; I70-V139 HydrophobicContact CG2-CG2 3.57Å; I71-V139 PolarHBondContact O-N 2.82Å; I73-V139 PolarHBondContact N-O 2.76Å; F80-V139 HydrophobicContact CD1-CG1 3.34Å; F80-V139 HydrophobicContact CE1-CG1 3.42Å; F80-V139 VanDerWaalsContact CE1-CG1 3.42Å; F80-V139 HydrophobicContact CG-CG1 4.22Å; F80-V139 HydrophobicContact CZ-CG1 4.31Å; A81-V139 HydrophobicContact CB-CB 4.19Å; A81-V139 HydrophobicContact CB-CG1 3.68Å; L84-V139 HydrophobicContact CD2-CG1 4.46Å; L84-V139 HydrophobicContact CD2-CG2 4.13Å; L137-V139 HydrophobicContact CD2-CG2 4.12Å; L137-V139 HydrophobicContact CG-CG2 3.9Å; V139-A167 WeakPolarHBondContact CA-O 3.5Å; V139-A167 HydrophobicContact CG2-CB 4.36Å
140E94.7Very high93Very high21 Ų2135.8 Ų35.810%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-130155.1-177.4-168.2168-137.600110.2I73 F80 A167 C168 F169I73-E140 HydrophobicContact CB-CG 4.47Å; I73-E140 HydrophobicContact CG1-CB 4.4Å; F80-E140 VanDerWaalsContact CD1-O 3.25Å; F80-E140 WeakPolarHBondContact CD1-O 3.41Å; F80-E140 WeakPolarHBondContact CE1-O 3.27Å; E140-A167 PolarHBondContact N-O 3.35Å; E140-A167 VanDerWaalsContact N-O 3.08Å; E140-C168 VanDerWaalsContact O-CA 3.29Å; E140-C168 WeakPolarHBondContact O-CA 3.44Å; E140-F169 PolarHBondContact O-N 2.55Å
141D94.2Very high92.8Very high28 Ų2835.2 Ų35.215%0.1518%0.183CC..EExtended strand (participates in β ladder)trans-77.5-38.3179.756.9-19.6000113.1G76 F169 S170 I200G76-D141 VanDerWaalsContact CA-OD2 3.29Å; G76-D141 WeakPolarHBondContact CA-OD2 3.45Å; D141-F169 VanDerWaalsContact O-CB 3.28Å; D141-F169 WeakPolarHBondContact O-CB 3.17Å; D141-S170 PolarHBondContact O-N 3.37Å; D141-S170 PolarHBondContact O-OG 3.47Å; D141-I200 HydrophobicContact CB-CG1 4.05Å
142M91.1Very high92.5Very high39 Ų3935.2 Ų35.219%0.19218%0.183CC..EExtended strand (participates in β ladder)trans-146.7139.2-177.2-166.6-179.5-48.500113.1S170 K172 I195 I200M142-S170 WeakPolarHBondContact CA-O 3.35Å; M142-K172 HydrophobicContact SD-CD 4.46Å; M142-K172 HydrophobicContact SD-CG 4.04Å; M142-I195 HydrophobicContact CE-CD1 3.4Å; M142-I195 VanDerWaalsContact CE-CD1 3.4Å; M142-I195 HydrophobicContact CE-CG1 3.38Å; M142-I200 HydrophobicContact CE-CD1 3.95Å; M142-I200 HydrophobicContact CE-CG2 4.12Å
143V89.2Confident92.3Very high9 Ų931.9 Ų31.96%0.05517%0.171CC..EExtended strand (participates in β ladder)trans-111.9132164.867.40000110.5L149 C168 S170 S171 K172 P183V143-L149 HydrophobicContact CG2-CD2 4.44Å; V143-C168 HydrophobicContact CB-CB 4.42Å; V143-C168 HydrophobicContact CG1-CB 4.17Å; V143-S170 PolarHBondContact N-O 3.48Å; V143-S171 VanDerWaalsContact CG1-CB 3.42Å; V143-S171 VanDerWaalsContact O-CA 3.31Å; V143-S171 WeakPolarHBondContact O-CA 3.5Å; V143-K172 PolarHBondContact O-N 3Å; V143-K172 VanDerWaalsContact O-N 3.11Å; V143-P183 HydrophobicContact CB-CG 4.19Å; V143-P183 HydrophobicContact CG1-CG 3.71Å; V143-P183 HydrophobicContact CG2-CG 4.38Å
144D84.8Confident92.1Very high66 Ų6632.5 Ų32.535%0.35316%0.164SC..SBendtrans-109.2-86.4174.4-165.7-20.1000110.1K172 Q174D144-K172 WeakPolarHBondContact OD2-CD 3.43Å; D144-K172 IonicContact OD2-NZ 2.94Å; D144-K172 PolarHBondContact OD2-NZ 3.13Å; D144-Q174 PolarHBondContact O-NE2 3.38Å; D144-Q174 PolarHBondContact OD1-NE2 3.22Å
145T80.5Confident92Very high64 Ų6430.1 Ų30.139%0.39315%0.154SC..SBendtrans-81.7-19.4174.9620000113.2T147 F178T145-T147 VanDerWaalsContact C-N 3.33Å; T145-T147 PolarHBondContact OG1-N 2.85Å; T145-T147 PolarHBondContact OG1-OG1 2.85Å; T145-F178 HydrophobicContact CG2-CZ 4.16Å
146G84.9Confident91.9Very high3 Ų329.7 Ų29.73%0.03115%0.152CC..SBendtrans82.9-0-171.400000115S148 L149 I150G146-S148 PolarHBondContact O-N 2.94Å; G146-L149 PolarHBondContact O-N 3.39Å; G146-I150 VanDerWaalsContact O-CG1 3.31Å; G146-I150 WeakPolarHBondContact O-CG1 3.31Å; G146-I150 PolarHBondContact O-N 2.6Å
147T85.3Confident91.9Very high63 Ų6335.5 Ų35.539%0.38717%0.174SC..Hα-helixtrans-57.3-52-178.6-54.40000111.8T145 L149 I150 E151T145-T147 VanDerWaalsContact C-N 3.33Å; T145-T147 PolarHBondContact OG1-N 2.85Å; T145-T147 PolarHBondContact OG1-OG1 2.85Å; T147-L149 VanDerWaalsContact C-N 3.32Å; T147-L149 PolarHBondContact O-N 3.27Å; T147-I150 PolarHBondContact O-N 2.83Å; T147-E151 PolarHBondContact O-N 3.07Å; T147-E151 VanDerWaalsContact O-N 3.09Å
148S87Confident91.8Very high37 Ų3742.4 Ų42.426%0.25920%0.204SC..Hα-helixtrans-59.7-43.2179.3-48.80000111.8G146 I150 E151 L152G146-S148 PolarHBondContact O-N 2.94Å; S148-I150 PolarHBondContact O-N 3.28Å; S148-E151 PolarHBondContact O-N 3.41Å; S148-L152 WeakPolarHBondContact O-CB 3.29Å; S148-L152 VanDerWaalsContact O-CG 3.29Å; S148-L152 WeakPolarHBondContact O-CG 3.4Å; S148-L152 PolarHBondContact O-N 3.08Å
149L90Very high91.8Very high1 Ų144.8 Ų44.81%0.00521%0.213CC..Hα-helixtrans-66.3-36.5179.6-171.858.3000112.5I138 V143 G146 T147 L152 E153 Y181 P183I138-L149 HydrophobicContact CG2-CD1 4.04Å; V143-L149 HydrophobicContact CG2-CD2 4.44Å; G146-L149 PolarHBondContact O-N 3.39Å; T147-L149 VanDerWaalsContact C-N 3.32Å; T147-L149 PolarHBondContact O-N 3.27Å; L149-L152 PolarHBondContact O-N 3.17Å; L149-E153 WeakPolarHBondContact O-CB 3.43Å; L149-E153 WeakPolarHBondContact O-CG 3.25Å; L149-E153 PolarHBondContact O-N 3.49Å; L149-Y181 HydrophobicContact CB-CD1 4.29Å; L149-Y181 HydrophobicContact CD2-CD1 3.73Å; L149-Y181 HydrophobicContact CD2-CE1 3.6Å; L149-Y181 HydrophobicContact CG-CD1 3.98Å; L149-Y181 HydrophobicContact CG-CE1 3.79Å; L149-P183 HydrophobicContact CD2-CB 4.1Å; L149-P183 HydrophobicContact CD2-CG 3.75Å
150I90.6Very high91.8Very high63 Ų6350.6 Ų50.632%0.32324%0.24SC..Hα-helixtrans-62.1-46.1172.4-70.4161.8000110.6G146 T147 S148 E153 R154 Y181G146-I150 VanDerWaalsContact O-CG1 3.31Å; G146-I150 WeakPolarHBondContact O-CG1 3.31Å; G146-I150 PolarHBondContact O-N 2.6Å; T147-I150 PolarHBondContact O-N 2.83Å; S148-I150 PolarHBondContact O-N 3.28Å; I150-E153 PolarHBondContact O-N 3.47Å; I150-R154 WeakPolarHBondContact O-CB 3.39Å; I150-R154 PolarHBondContact O-N 3.36Å; I150-Y181 HydrophobicContact CD1-CG 4.4Å; I150-Y181 HydrophobicContact CG1-CD1 4.34Å; I150-Y181 HydrophobicContact CG1-CD2 4.19Å; I150-Y181 HydrophobicContact CG1-CG 3.84Å
151E91.4Very high92Very high56 Ų5650.6 Ų50.626%0.26224%0.242SC..Hα-helixtrans-64.5-41178.8-67.2-53.9134.500111.5T147 S148 R154 F155T147-E151 PolarHBondContact O-N 3.07Å; T147-E151 VanDerWaalsContact O-N 3.09Å; S148-E151 PolarHBondContact O-N 3.41Å; E151-R154 PolarHBondContact O-N 2.82Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NH1 3.77Å; E151-R154 PolarHBondContact OE1-NH1 3.23Å; E151-R154 IonicContact OE1-NH2 3.21Å; E151-R154 PolarHBondContact OE1-NH2 3.38Å; E151-R154 IonicContact OE2-CZ 3.04Å; E151-R154 IonicContact OE2-NH1 3.59Å; E151-R154 PolarHBondContact OE2-NH1 3.36Å; E151-F155 WeakPolarHBondContact O-CB 3.33Å; E151-F155 PolarHBondContact O-N 2.91Å
152L92.8Very high92.2Very high0 Ų055 Ų550%026%0.26CS..Hα-helixtrans-61.3-48.1174-75.8166.5000112.1I73 A108 I122 I138 S148 L149 R154 F155 V156I73-L152 HydrophobicContact CD1-CD1 3.99Å; I73-L152 HydrophobicContact CD1-CD2 3.75Å; I73-L152 HydrophobicContact CD1-CG 4.46Å; I73-L152 HydrophobicContact CG1-CD1 3.88Å; I73-L152 HydrophobicContact CG2-CD1 4.23Å; A108-L152 HydrophobicContact CB-CD2 4.05Å; I122-L152 HydrophobicContact CD1-CD2 3.82Å; I122-L152 HydrophobicContact CD1-CG 4.37Å; I122-L152 HydrophobicContact CG1-CD2 3.92Å; I122-L152 HydrophobicContact CG2-CD2 4.36Å; I138-L152 HydrophobicContact CD1-CB 4.45Å; S148-L152 WeakPolarHBondContact O-CB 3.29Å; S148-L152 VanDerWaalsContact O-CG 3.29Å; S148-L152 WeakPolarHBondContact O-CG 3.4Å; S148-L152 PolarHBondContact O-N 3.08Å; L149-L152 PolarHBondContact O-N 3.17Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 2.87Å; L152-F155 WeakPolarHBondContact O-CB 3.35Å; L152-F155 PolarHBondContact O-N 3.25Å; L152-V156 WeakPolarHBondContact O-CG2 3.08Å; L152-V156 PolarHBondContact O-N 2.82Å
153E94.3Very high92.5Very high11 Ų1154.1 Ų54.15%0.05126%0.258CS..Hα-helixtrans-62.4-42175.9-80-161.1-160.800111.6I138 L149 I150 F155 V156 R157 V164 S166 Y181I138-E153 HydrophobicContact CD1-CB 4.46Å; I138-E153 HydrophobicContact CD1-CG 3.75Å; L149-E153 WeakPolarHBondContact O-CB 3.43Å; L149-E153 WeakPolarHBondContact O-CG 3.25Å; L149-E153 PolarHBondContact O-N 3.49Å; I150-E153 PolarHBondContact O-N 3.47Å; E153-F155 VanDerWaalsContact C-N 3.32Å; E153-F155 PolarHBondContact O-N 3.29Å; E153-V156 PolarHBondContact O-N 3.23Å; E153-R157 VanDerWaalsContact O-CB 3.28Å; E153-R157 WeakPolarHBondContact O-CB 3.49Å; E153-R157 WeakPolarHBondContact O-CG 3.19Å; E153-R157 PolarHBondContact O-N 2.81Å; E153-R157 IonicContact OE2-CZ 3.74Å; E153-R157 IonicContact OE2-NE 3.05Å; E153-R157 IonicContact OE2-NH2 3.18Å; E153-R157 PolarHBondContact OE2-NH2 2.76Å; E153-V164 HydrophobicContact CG-CG1 3.97Å; E153-S166 WeakPolarHBondContact OE1-CB 3.42Å; E153-S166 PolarHBondContact OE1-OG 3.01Å; E153-Y181 WeakPolarHBondContact OE1-CE1 3.41Å; E153-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E153-Y181 PolarHBondContact OE1-OH 2.75Å; E153-Y181 PolarHBondContact OE2-OH 2.84Å; E153-Y181 VanDerWaalsContact OE2-OH 3.11Å
154R94.3Very high92.9Very high132 Ų13254.3 Ų54.350%0.49826%0.258SS..Hα-helixtrans-61.4-43.2175.9-169.4-174-58.7141.97.8110.9I150 E151 L152 R157 K158I150-R154 WeakPolarHBondContact O-CB 3.39Å; I150-R154 PolarHBondContact O-N 3.36Å; E151-R154 PolarHBondContact O-N 2.82Å; E151-R154 IonicContact OE1-CZ 3.93Å; E151-R154 IonicContact OE1-NH1 3.77Å; E151-R154 PolarHBondContact OE1-NH1 3.23Å; E151-R154 IonicContact OE1-NH2 3.21Å; E151-R154 PolarHBondContact OE1-NH2 3.38Å; E151-R154 IonicContact OE2-CZ 3.04Å; E151-R154 IonicContact OE2-NH1 3.59Å; E151-R154 PolarHBondContact OE2-NH1 3.36Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 2.87Å; R154-R157 PolarHBondContact O-N 3.05Å; R154-K158 PolarHBondContact O-N 3.1Å
155F95.5Very high93.5Very high30 Ų3051.7 Ų51.713%0.13224%0.244CC..Hα-helixtrans-60.9-50.5176.7176.4-97.4000111.9L106 I122 P124 M128 E151 L152 E153 R157 K158 Y159L106-F155 HydrophobicContact CD1-CD1 4.31Å; L106-F155 HydrophobicContact CD1-CE1 4.3Å; L106-F155 HydrophobicContact CD2-CE1 4.42Å; I122-F155 HydrophobicContact CB-CD1 4.43Å; I122-F155 HydrophobicContact CB-CD2 4.42Å; I122-F155 HydrophobicContact CB-CG 4.36Å; I122-F155 HydrophobicContact CD1-CB 3.48Å; I122-F155 VanDerWaalsContact CD1-CB 3.48Å; I122-F155 HydrophobicContact CD1-CD1 4.23Å; I122-F155 HydrophobicContact CD1-CD2 4.22Å; I122-F155 HydrophobicContact CD1-CG 3.72Å; I122-F155 HydrophobicContact CG2-CD1 3.62Å; I122-F155 HydrophobicContact CG2-CD2 4.39Å; I122-F155 HydrophobicContact CG2-CE1 3.6Å; I122-F155 HydrophobicContact CG2-CE2 4.4Å; I122-F155 HydrophobicContact CG2-CG 4.03Å; I122-F155 HydrophobicContact CG2-CZ 4.03Å; P124-F155 HydrophobicContact CG-CE1 3.94Å; P124-F155 HydrophobicContact CG-CZ 3.55Å; M128-F155 HydrophobicContact CE-CD1 4.29Å; M128-F155 HydrophobicContact CE-CE1 3.7Å; M128-F155 HydrophobicContact CG-CE1 4.34Å; M128-F155 HydrophobicContact CG-CZ 4.4Å; M128-F155 HydrophobicContact SD-CE1 4.25Å; E151-F155 WeakPolarHBondContact O-CB 3.33Å; E151-F155 PolarHBondContact O-N 2.91Å; L152-F155 WeakPolarHBondContact O-CB 3.35Å; L152-F155 PolarHBondContact O-N 3.25Å; E153-F155 VanDerWaalsContact C-N 3.32Å; E153-F155 PolarHBondContact O-N 3.29Å; F155-R157 VanDerWaalsContact C-N 3.32Å; F155-R157 PolarHBondContact O-N 2.8Å; F155-K158 WeakPolarHBondContact O-CB 3.28Å; F155-K158 PolarHBondContact O-N 2.96Å; F155-Y159 HydrophobicContact CE1-CE2 4.13Å; F155-Y159 HydrophobicContact CE2-CE2 4.37Å; F155-Y159 AromaticContact CZ-CE2 3.99Å; F155-Y159 HydrophobicContact CZ-CE2 3.99Å; F155-Y159 WeakPolarHBondContact O-CD2 3.37Å
156V96.8Very high94.3Very high0 Ų048.6 Ų48.60%023%0.225CC..Hα-helixtrans-63.1-38.6179.1171.80000111.4I71 L106 M128 V136 I138 L152 E153 K158 Y159 P161 V164I71-V156 HydrophobicContact CD1-CG1 4.37Å; I71-V156 HydrophobicContact CD1-CG2 4.21Å; L106-V156 HydrophobicContact CD1-CG2 4.13Å; M128-V156 HydrophobicContact CE-CG2 4.34Å; V136-V156 HydrophobicContact CG1-CG1 4.12Å; I138-V156 HydrophobicContact CD1-CB 4.21Å; I138-V156 HydrophobicContact CD1-CG2 3.85Å; I138-V156 HydrophobicContact CG1-CG2 4.41Å; L152-V156 WeakPolarHBondContact O-CG2 3.08Å; L152-V156 PolarHBondContact O-N 2.82Å; E153-V156 PolarHBondContact O-N 3.23Å; V156-K158 PolarHBondContact O-N 3.01Å; V156-Y159 PolarHBondContact O-N 3.33Å; V156-Y159 VanDerWaalsContact O-N 3.17Å; V156-P161 HydrophobicContact CG1-CG 4.28Å; V156-P161 WeakPolarHBondContact O-CD 3.37Å; V156-V164 HydrophobicContact CG1-CG2 4.19Å
157R97.4Very high94.9Very high122 Ų12248.5 Ų48.546%0.4622%0.223SC..Hα-helixtrans-65-20.6179.1-75174.8-167.4-72.8-0.3114.2E153 R154 F155 Y159 E160 V164E153-R157 VanDerWaalsContact O-CB 3.28Å; E153-R157 WeakPolarHBondContact O-CB 3.49Å; E153-R157 WeakPolarHBondContact O-CG 3.19Å; E153-R157 PolarHBondContact O-N 2.81Å; E153-R157 IonicContact OE2-CZ 3.74Å; E153-R157 IonicContact OE2-NE 3.05Å; E153-R157 IonicContact OE2-NH2 3.18Å; E153-R157 PolarHBondContact OE2-NH2 2.76Å; R154-R157 PolarHBondContact O-N 3.05Å; F155-R157 VanDerWaalsContact C-N 3.32Å; F155-R157 PolarHBondContact O-N 2.8Å; R157-Y159 PolarHBondContact O-N 3.14Å; R157-Y159 VanDerWaalsContact O-N 3.15Å; R157-E160 PolarHBondContact O-N 3.13Å; R157-E160 VanDerWaalsContact O-N 3.1Å; R157-V164 HydrophobicContact CG-CG2 3.88Å
158K97.6Very high95.4Very high144 Ų14445.5 Ų45.563%0.62621%0.205SC*.THydrogen-bonded Turntrans-59.3-23.2173.5-67.1175-177.1177.50112.9R154 F155 V156 E160R154-K158 PolarHBondContact O-N 3.1Å; F155-K158 WeakPolarHBondContact O-CB 3.28Å; F155-K158 PolarHBondContact O-N 2.96Å; V156-K158 PolarHBondContact O-N 3.01Å; K158-E160 VanDerWaalsContact C-N 3.34Å
159Y97.9Very high95.9Very high52 Ų5243.8 Ų43.820%0.20419%0.193CC..THydrogen-bonded Turntrans-96.113.4-178.9-57.6-80.3000113.1M128 R132 F155 V156 R157 P161M128-Y159 HydrophobicContact CB-CD1 3.56Å; M128-Y159 HydrophobicContact CB-CD2 3.69Å; M128-Y159 HydrophobicContact CB-CE1 3.36Å; M128-Y159 HydrophobicContact CB-CE2 3.48Å; M128-Y159 VanDerWaalsContact CB-CE2 3.48Å; M128-Y159 HydrophobicContact CB-CG 3.71Å; M128-Y159 HydrophobicContact CE-CD2 4.03Å; M128-Y159 HydrophobicContact CE-CE2 4.04Å; M128-Y159 HydrophobicContact CG-CD2 4.31Å; M128-Y159 HydrophobicContact CG-CE1 4.25Å; M128-Y159 HydrophobicContact CG-CE2 3.75Å; R132-Y159 VanDerWaalsContact CA-O 3.27Å; R132-Y159 WeakPolarHBondContact CA-O 3.24Å; R132-Y159 WeakPolarHBondContact CB-O 3.39Å; F155-Y159 HydrophobicContact CE1-CE2 4.13Å; F155-Y159 HydrophobicContact CE2-CE2 4.37Å; F155-Y159 AromaticContact CZ-CE2 3.99Å; F155-Y159 HydrophobicContact CZ-CE2 3.99Å; F155-Y159 WeakPolarHBondContact O-CD2 3.37Å; V156-Y159 PolarHBondContact O-N 3.33Å; V156-Y159 VanDerWaalsContact O-N 3.17Å; R157-Y159 PolarHBondContact O-N 3.14Å; R157-Y159 VanDerWaalsContact O-N 3.15Å; Y159-P161 VanDerWaalsContact C-CD 3.5Å
160E98.1Very high96.1Very high122 Ų12243.7 Ų43.757%0.5719%0.193SC*.  trans50.452.8174.7-57.3-179.1130.700114R132 D133 R157 K158R132-E160 IonicContact CZ-OE2 2.79Å; R132-E160 IonicContact NH1-OE2 2.84Å; R132-E160 PolarHBondContact NH1-OE2 3.26Å; D133-E160 PolarHBondContact N-O 3.43Å; R157-E160 PolarHBondContact O-N 3.13Å; R157-E160 VanDerWaalsContact O-N 3.1Å; K158-E160 VanDerWaalsContact C-N 3.34Å
161P98.4Very high96.1Very high20 Ų2041.3 Ų41.313%0.1318%0.182CC..  trans-63.7149.7169.231-36.6000110.3F131 K134 V136 V156 Y159 S163 V164F131-P161 WeakPolarHBondContact O-CA 3.25Å; K134-P161 CarbonylContact O-C 3.54Å; K134-P161 WeakPolarHBondContact O-CB 3.24Å; V136-P161 HydrophobicContact CG2-CB 4Å; V156-P161 HydrophobicContact CG1-CG 4.28Å; V156-P161 WeakPolarHBondContact O-CD 3.37Å; Y159-P161 VanDerWaalsContact C-CD 3.5Å; P161-S163 VanDerWaalsContact C-N 3.29Å; P161-S163 PolarHBondContact O-N 2.91Å; P161-V164 HydrophobicContact CB-CG2 4.09Å; P161-V164 HydrophobicContact CG-CG2 3.28Å
162K98.3Very high96Very high122 Ų12240.8 Ų40.853%0.5318%0.178SC..SBendtrans-61.7-39.5176.6174.6-177164.2-141.80111.6K134 D135K134-K162 PolarHBondContact O-N 3.08Å; D135-K162 IonicContact OD1-NZ 3.23Å; D135-K162 PolarHBondContact OD1-NZ 2.86Å; D135-K162 IonicContact OD2-NZ 3.5Å; D135-K162 PolarHBondContact OD2-NZ 2.95Å
163S98.1Very high95.5Very high20 Ų2043.3 Ų43.314%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-150.6151.9172.967.90000110.7K134 D135 V136 P161 Y165K134-S163 PolarHBondContact O-N 3.19Å; D135-S163 WeakPolarHBondContact CB-OG 3.08Å; D135-S163 WeakPolarHBondContact OD1-CB 3.49Å; D135-S163 PolarHBondContact OD1-OG 2.99Å; V136-S163 PolarHBondContact N-O 2.82Å; P161-S163 VanDerWaalsContact C-N 3.29Å; P161-S163 PolarHBondContact O-N 2.91Å; S163-Y165 WeakPolarHBondContact OG-CE2 3.3Å
164V97.5Very high94.8Very high12 Ų1245.5 Ų45.57%0.07320%0.2CC..EExtended strand (participates in β ladder)trans-128.7121.6174.1-176.80000107.5V136 I138 E153 V156 R157 P161V136-V164 WeakPolarHBondContact O-CA 3.18Å; I138-V164 HydrophobicContact CD1-CG1 3.95Å; I138-V164 HydrophobicContact CG1-CG1 4.24Å; E153-V164 HydrophobicContact CG-CG1 3.97Å; V156-V164 HydrophobicContact CG1-CG2 4.19Å; R157-V164 HydrophobicContact CG-CG2 3.88Å; P161-V164 HydrophobicContact CB-CG2 4.09Å; P161-V164 HydrophobicContact CG-CG2 3.28Å
165Y97.3Very high93.8Very high11 Ų1143.1 Ų43.14%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-113.5162.1171.3-53.3-72.7000108.9Y60 V136 L137 I138 S163 T184Y60-Y165 HydrophobicContact CD1-CE2 4.19Å; Y60-Y165 HydrophobicContact CE1-CD1 4.46Å; Y60-Y165 AromaticContact CE1-CD2 3.49Å; Y60-Y165 HydrophobicContact CE1-CD2 3.49Å; Y60-Y165 VanDerWaalsContact CE1-CD2 3.49Å; Y60-Y165 HydrophobicContact CE1-CE1 4.44Å; Y60-Y165 AromaticContact CE1-CE2 3.45Å; Y60-Y165 HydrophobicContact CE1-CE2 3.45Å; Y60-Y165 VanDerWaalsContact CE1-CE2 3.45Å; Y60-Y165 HydrophobicContact CE1-CG 4.01Å; Y60-Y165 AromaticContact CE1-CZ 3.97Å; Y60-Y165 AromaticContact CZ-CD2 3.82Å; Y60-Y165 WeakPolarHBondContact OH-CD2 3.48Å; V136-Y165 WeakPolarHBondContact O-CD2 3.33Å; V136-Y165 PolarHBondContact O-N 2.63Å; L137-Y165 WeakPolarHBondContact CA-O 3.32Å; I138-Y165 PolarHBondContact N-O 2.96Å; S163-Y165 WeakPolarHBondContact OG-CE2 3.3Å; Y165-T184 HydrophobicContact CD1-CG2 3.99Å
166S96.5Very high92.6Very high0 Ų050.3 Ų50.30%024%0.239CC..EExtended strand (participates in β ladder)trans-133.6133.9174.539.60000110.7I138 E153 P183 T184 Y185I138-S166 CarbonylContact O-C 3.41Å; I138-S166 WeakPolarHBondContact O-CA 3.29Å; E153-S166 WeakPolarHBondContact OE1-CB 3.42Å; E153-S166 PolarHBondContact OE1-OG 3.01Å; S166-P183 WeakPolarHBondContact OG-CA 3.47Å; S166-T184 PolarHBondContact N-OG1 3.5Å; S166-T184 VanDerWaalsContact N-OG1 3.14Å; S166-T184 CarbonylContact O-C 3.52Å; S166-T184 WeakPolarHBondContact O-CA 3.35Å; S166-T184 WeakPolarHBondContact O-CB 3.2Å; S166-T184 PolarHBondContact O-N 2.86Å; S166-T184 PolarHBondContact OG-N 3.5Å; S166-Y185 PolarHBondContact O-N 2.98Å
167A97Very high91.1Very high0 Ų056.5 Ų56.50%028%0.277CS..EExtended strand (participates in β ladder)trans-121.8123.9171.700000109.2M52 F80 L84 L137 I138 V139 E140 Y185M52-A167 HydrophobicContact CE-CB 3.8Å; F80-A167 HydrophobicContact CE1-CB 4.45Å; F80-A167 HydrophobicContact CZ-CB 4.33Å; L84-A167 HydrophobicContact CD2-CB 4.27Å; L137-A167 HydrophobicContact CD1-CB 3.87Å; L137-A167 HydrophobicContact CD2-CB 4.37Å; L137-A167 HydrophobicContact CG-CB 4.34Å; I138-A167 PolarHBondContact O-N 2.79Å; V139-A167 WeakPolarHBondContact CA-O 3.5Å; V139-A167 HydrophobicContact CG2-CB 4.36Å; E140-A167 PolarHBondContact N-O 3.35Å; E140-A167 VanDerWaalsContact N-O 3.08Å; A167-Y185 CarbonylContact C-O 3.51Å; A167-Y185 VanDerWaalsContact CA-O 3.28Å; A167-Y185 WeakPolarHBondContact CA-O 3.33Å; A167-Y185 HydrophobicContact CB-CD2 4.27Å
168C96.1Very high89.7Confident0 Ų054.3 Ų54.30%027%0.271CS..EExtended strand (participates in β ladder)trans-111.9136.4174.5-64.30000109.7E140 V143 S170 P183 Y185 V186 G187E140-C168 VanDerWaalsContact O-CA 3.29Å; E140-C168 WeakPolarHBondContact O-CA 3.44Å; V143-C168 HydrophobicContact CB-CB 4.42Å; V143-C168 HydrophobicContact CG1-CB 4.17Å; C168-S170 VanDerWaalsContact C-N 3.34Å; C168-P183 HydrophobicContact CB-CB 4.35Å; C168-P183 HydrophobicContact CB-CG 3.98Å; C168-P183 WeakPolarHBondContact SG-CG 3.36Å; C168-Y185 PolarHBondContact N-O 3.43Å; C168-V186 WeakPolarHBondContact O-CA 3.29Å; C168-G187 PolarHBondContact O-N 3.23Å
169F96.8Very high88Confident1 Ų153.6 Ų53.60%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-62.8-47.1176.2166.2-105.1000110.6V45 F80 E140 D141 G187 F188 Y198 I200 V212V45-F169 HydrophobicContact CB-CE2 4.44Å; V45-F169 HydrophobicContact CG1-CE2 3.72Å; V45-F169 HydrophobicContact CG1-CZ 4.38Å; V45-F169 HydrophobicContact CG2-CE2 3.99Å; V45-F169 HydrophobicContact CG2-CZ 3.91Å; F80-F169 HydrophobicContact CB-CB 3.95Å; F80-F169 HydrophobicContact CB-CG 4.44Å; F80-F169 HydrophobicContact CD1-CB 3.52Å; F80-F169 HydrophobicContact CD2-CB 3.95Å; F80-F169 HydrophobicContact CD2-CD2 4.06Å; F80-F169 HydrophobicContact CD2-CG 4.47Å; F80-F169 HydrophobicContact CE1-CB 3.87Å; F80-F169 HydrophobicContact CE2-CB 4.29Å; F80-F169 HydrophobicContact CG-CB 3.55Å; F80-F169 HydrophobicContact CG-CD2 4.34Å; F80-F169 HydrophobicContact CG-CG 4.33Å; F80-F169 HydrophobicContact CZ-CB 4.25Å; E140-F169 PolarHBondContact O-N 2.55Å; D141-F169 VanDerWaalsContact O-CB 3.28Å; D141-F169 WeakPolarHBondContact O-CB 3.17Å; F169-G187 CarbonylContact O-C 3.49Å; F169-G187 VanDerWaalsContact O-CA 3.3Å; F169-G187 WeakPolarHBondContact O-CA 3.29Å; F169-G187 PolarHBondContact O-N 2.81Å; F169-F188 HydrophobicContact CD2-CD2 4.2Å; F169-F188 HydrophobicContact CD2-CE2 4.29Å; F169-F188 AromaticContact CE2-CD2 3.75Å; F169-F188 HydrophobicContact CE2-CD2 3.75Å; F169-F188 AromaticContact CE2-CE2 3.61Å; F169-F188 HydrophobicContact CE2-CE2 3.61Å; F169-F188 HydrophobicContact CZ-CD2 4Å; F169-F188 HydrophobicContact CZ-CE2 4.1Å; F169-F188 PolarHBondContact O-N 3.38Å; F169-Y198 HydrophobicContact CD1-CD1 4.32Å; F169-Y198 AromaticContact CD2-CD1 3.98Å; F169-Y198 HydrophobicContact CD2-CD1 3.98Å; F169-Y198 AromaticContact CD2-CE1 3.73Å; F169-Y198 HydrophobicContact CD2-CE1 3.73Å; F169-Y198 AromaticContact CE1-CD1 3.91Å; F169-Y198 HydrophobicContact CE1-CD1 3.91Å; F169-Y198 AromaticContact CE2-CD1 3.53Å; F169-Y198 HydrophobicContact CE2-CD1 3.53Å; F169-Y198 AromaticContact CE2-CE1 3.5Å; F169-Y198 HydrophobicContact CE2-CE1 3.5Å; F169-Y198 HydrophobicContact CG-CD1 4.35Å; F169-Y198 HydrophobicContact CG-CE1 4.38Å; F169-Y198 AromaticContact CZ-CD1 3.48Å; F169-Y198 HydrophobicContact CZ-CD1 3.48Å; F169-Y198 VanDerWaalsContact CZ-CD1 3.48Å; F169-Y198 AromaticContact CZ-CE1 3.99Å; F169-Y198 HydrophobicContact CZ-CE1 3.99Å; F169-Y198 HydrophobicContact CZ-CG 4.26Å; F169-I200 HydrophobicContact CD1-CD1 4.11Å; F169-I200 HydrophobicContact CE1-CD1 4.14Å; F169-V212 HydrophobicContact CE1-CG2 3.49Å; F169-V212 VanDerWaalsContact CE1-CG2 3.49Å; F169-V212 HydrophobicContact CZ-CG2 3.44Å; F169-V212 VanDerWaalsContact CZ-CG2 3.44Å
170S94.4Very high86.5Confident0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-133.1158178.6630000112.7D141 M142 V143 C168 F188D141-S170 PolarHBondContact O-N 3.37Å; D141-S170 PolarHBondContact O-OG 3.47Å; M142-S170 WeakPolarHBondContact CA-O 3.35Å; V143-S170 PolarHBondContact N-O 3.48Å; C168-S170 VanDerWaalsContact C-N 3.34Å; S170-F188 CarbonylContact C-O 3.54Å; S170-F188 WeakPolarHBondContact CA-O 3.43Å
171S92.2Very high85.4Confident13 Ų1349.9 Ų49.99%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-130.1145.4165.962.20000108.9V143 F188 E189 V190V143-S171 VanDerWaalsContact CG1-CB 3.42Å; V143-S171 VanDerWaalsContact O-CA 3.31Å; V143-S171 WeakPolarHBondContact O-CA 3.5Å; S171-F188 PolarHBondContact N-O 2.86Å; S171-E189 WeakPolarHBondContact O-CA 3.31Å; S171-V190 WeakPolarHBondContact O-CG2 3.37Å; S171-V190 PolarHBondContact O-N 2.81Å
172K87.7Confident84.5Confident44 Ų4456.7 Ų56.719%0.19130%0.296CS..EExtended strand (participates in β ladder)trans-79.3138.8169-67-170.5-169.9162.10109.6M142 V143 D144 Q174 N192M142-K172 HydrophobicContact SD-CD 4.46Å; M142-K172 HydrophobicContact SD-CG 4.04Å; V143-K172 PolarHBondContact O-N 3Å; V143-K172 VanDerWaalsContact O-N 3.11Å; D144-K172 WeakPolarHBondContact OD2-CD 3.43Å; D144-K172 IonicContact OD2-NZ 2.94Å; D144-K172 PolarHBondContact OD2-NZ 3.13Å; K172-Q174 PolarHBondContact O-N 3Å; K172-N192 WeakPolarHBondContact CD-OD1 3.34Å
173K82.3Confident84.1Confident53 Ų5351.2 Ų51.223%0.2327%0.273CS..  trans-59.2123.4173.3-164171.5-177-171.80110.1D14 D15 E189 V190D14-K173 IonicContact OD1-NZ 2.64Å; D15-K173 WeakPolarHBondContact OD2-CD 3.44Å; D15-K173 WeakPolarHBondContact OD2-CE 3.46Å; D15-K173 IonicContact OD2-NZ 2.82Å; D15-K173 PolarHBondContact OD2-NZ 3.47Å; K173-E189 HydrophobicContact CB-CG 4.17Å; K173-E189 HydrophobicContact CG-CG 4.45Å; K173-V190 PolarHBondContact N-O 2.85Å
174Q79.5Confident84Confident58 Ų5851.8 Ų51.827%0.27128%0.276SS..  trans-110.1154.9178.6-66.4-64.9-27.800110.3D144 K172 F178D144-Q174 PolarHBondContact O-NE2 3.38Å; D144-Q174 PolarHBondContact OD1-NE2 3.22Å; K172-Q174 PolarHBondContact O-N 3Å; Q174-F178 HydrophobicContact CB-CB 4Å; Q174-F178 HydrophobicContact CB-CD1 4.07Å; Q174-F178 HydrophobicContact CB-CG 4.24Å; Q174-F178 HydrophobicContact CG-CD1 3.92Å; Q174-F178 HydrophobicContact CG-CE1 4.39Å; Q174-F178 HydrophobicContact CG-CG 4.44Å
175P74.3Confident83.9Confident82 Ų8251.6 Ų51.653%0.53227%0.274SS..  trans-54.8142.4168.5-22.633.2000110.8T177 F178P175-T177 PolarHBondContact O-N 3.09Å; P175-F178 WeakPolarHBondContact O-CB 3.34Å; P175-F178 PolarHBondContact O-N 2.83Å
176I69.8Low83.8Confident180 Ų18051.7 Ų51.792%0.92328%0.275SS*.THydrogen-bonded Turntrans-56.2-27.8179.1-63167.7000111.9F178I176-F178 PolarHBondContact O-N 2.83Å
177T65Low83.8Confident130 Ų13051.7 Ų51.780%0.79828%0.275SS*.THydrogen-bonded Turntrans-75.1-10.1177.555.80000113.8P175 P179P175-T177 PolarHBondContact O-N 3.09Å; T177-P179 WeakPolarHBondContact O-CD 3.32Å
178F67.8Low83.7Confident77 Ų7751.7 Ų51.734%0.33828%0.275SS..  trans-74.6117.3-178.6-168.3-106000109.2T145 Q174 P175 I176 G180T145-F178 HydrophobicContact CG2-CZ 4.16Å; Q174-F178 HydrophobicContact CB-CB 4Å; Q174-F178 HydrophobicContact CB-CD1 4.07Å; Q174-F178 HydrophobicContact CB-CG 4.24Å; Q174-F178 HydrophobicContact CG-CD1 3.92Å; Q174-F178 HydrophobicContact CG-CE1 4.39Å; Q174-F178 HydrophobicContact CG-CG 4.44Å; P175-F178 WeakPolarHBondContact O-CB 3.34Å; P175-F178 PolarHBondContact O-N 2.83Å; I176-F178 PolarHBondContact O-N 2.83Å; F178-G180 VanDerWaalsContact CD1-CA 3.42Å; F178-G180 VanDerWaalsContact CD1-N 3.33Å; F178-G180 PolarHBondContact O-N 2.98Å
179P61.8Low83.6Confident128 Ų12854.1 Ų54.183%0.83129%0.287SS*.  trans-76.414.9-177.133.9-36.8000112.8T177T177-P179 WeakPolarHBondContact O-CD 3.32Å
180G68Low83.4Confident22 Ų2254.1 Ų54.123%0.22729%0.287CS..PPolyproline II helixtrans-51.3156.9-167.200000114.9F178 K182F178-G180 VanDerWaalsContact CD1-CA 3.42Å; F178-G180 VanDerWaalsContact CD1-N 3.33Å; F178-G180 PolarHBondContact O-N 2.98Å; G180-K182 PolarHBondContact O-N 3.49Å
181Y74.5Confident83.1Confident74 Ų7454.4 Ų54.429%0.2929%0.289SS..PPolyproline II helixtrans-68.3126.2176.6-175.7-108.8000110.7L149 I150 E153L149-Y181 HydrophobicContact CB-CD1 4.29Å; L149-Y181 HydrophobicContact CD2-CD1 3.73Å; L149-Y181 HydrophobicContact CD2-CE1 3.6Å; L149-Y181 HydrophobicContact CG-CD1 3.98Å; L149-Y181 HydrophobicContact CG-CE1 3.79Å; I150-Y181 HydrophobicContact CD1-CG 4.4Å; I150-Y181 HydrophobicContact CG1-CD1 4.34Å; I150-Y181 HydrophobicContact CG1-CD2 4.19Å; I150-Y181 HydrophobicContact CG1-CG 3.84Å; E153-Y181 WeakPolarHBondContact OE1-CE1 3.41Å; E153-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E153-Y181 PolarHBondContact OE1-OH 2.75Å; E153-Y181 PolarHBondContact OE2-OH 2.84Å; E153-Y181 VanDerWaalsContact OE2-OH 3.11Å
182K79.3Confident82.9Confident164 Ų16458.9 Ų58.971%0.71331%0.312SS*.PPolyproline II helixtrans-98.5119.3175.5-67.1-170.1178.5-1710109.3G180G180-K182 PolarHBondContact O-N 3.49Å
183P90.2Very high82.9Confident6 Ų659.6 Ų59.64%0.03932%0.319CS..PPolyproline II helixtrans-54.8157.7171.1-20.730.5000111V143 L149 S166 C168 Y185 V186V143-P183 HydrophobicContact CB-CG 4.19Å; V143-P183 HydrophobicContact CG1-CG 3.71Å; V143-P183 HydrophobicContact CG2-CG 4.38Å; L149-P183 HydrophobicContact CD2-CB 4.1Å; L149-P183 HydrophobicContact CD2-CG 3.75Å; S166-P183 WeakPolarHBondContact OG-CA 3.47Å; C168-P183 HydrophobicContact CB-CB 4.35Å; C168-P183 HydrophobicContact CB-CG 3.98Å; C168-P183 WeakPolarHBondContact SG-CG 3.36Å; P183-Y185 PolarHBondContact O-N 2.88Å; P183-V186 HydrophobicContact CB-CG2 4Å; P183-V186 HydrophobicContact CG-CG2 3.87Å
184T95Very high83.4Confident32 Ų3260.9 Ų60.920%0.19633%0.325CS..SBendtrans-60.3-39.3175.1-48.10000111.2Y165 S166Y165-T184 HydrophobicContact CD1-CG2 3.99Å; S166-T184 PolarHBondContact N-OG1 3.5Å; S166-T184 VanDerWaalsContact N-OG1 3.14Å; S166-T184 CarbonylContact O-C 3.52Å; S166-T184 WeakPolarHBondContact O-CA 3.35Å; S166-T184 WeakPolarHBondContact O-CB 3.2Å; S166-T184 PolarHBondContact O-N 2.86Å; S166-T184 PolarHBondContact OG-N 3.5Å
185Y96.1Very high84Confident9 Ų958.5 Ų58.54%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-135.5134.3-179-46.5-77.4000110.8I56 L137 S166 A167 C168 P183I56-Y185 HydrophobicContact CD1-CD2 4.11Å; I56-Y185 HydrophobicContact CD1-CE2 4.45Å; I56-Y185 HydrophobicContact CD1-CG 4.22Å; I56-Y185 HydrophobicContact CG1-CD1 3.78Å; I56-Y185 HydrophobicContact CG1-CD2 3.74Å; I56-Y185 HydrophobicContact CG1-CE1 3.79Å; I56-Y185 HydrophobicContact CG1-CE2 3.73Å; I56-Y185 HydrophobicContact CG1-CG 3.75Å; I56-Y185 HydrophobicContact CG2-CE2 4.38Å; L137-Y185 HydrophobicContact CD1-CD2 4.13Å; L137-Y185 HydrophobicContact CD1-CE2 4.2Å; S166-Y185 PolarHBondContact O-N 2.98Å; A167-Y185 CarbonylContact C-O 3.51Å; A167-Y185 VanDerWaalsContact CA-O 3.28Å; A167-Y185 WeakPolarHBondContact CA-O 3.33Å; A167-Y185 HydrophobicContact CB-CD2 4.27Å; C168-Y185 PolarHBondContact N-O 3.43Å; P183-Y185 PolarHBondContact O-N 2.88Å
186V95.2Very high85Confident12 Ų1254.6 Ų54.67%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-127.3131175.2179.90000109.2S8 C10 C168 P183 F188S8-V186 PolarHBondContact OG-N 3.05Å; C10-V186 HydrophobicContact CB-CB 4.09Å; C10-V186 HydrophobicContact CB-CG1 4.12Å; C10-V186 WeakPolarHBondContact CB-O 3.24Å; C168-V186 WeakPolarHBondContact O-CA 3.29Å; P183-V186 HydrophobicContact CB-CG2 4Å; P183-V186 HydrophobicContact CG-CG2 3.87Å; V186-F188 WeakPolarHBondContact CG1-O 3.31Å
187G96.1Very high86.3Confident0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-72.1-55.7175.900000112I11 C168 F169I11-G187 PolarHBondContact N-O 3.24Å; I11-G187 VanDerWaalsContact N-O 3.13Å; C168-G187 PolarHBondContact O-N 3.23Å; F169-G187 CarbonylContact O-C 3.49Å; F169-G187 VanDerWaalsContact O-CA 3.3Å; F169-G187 WeakPolarHBondContact O-CA 3.29Å; F169-G187 PolarHBondContact O-N 2.81Å
188F95.7Very high87.8Confident0 Ų040.5 Ų40.50%021%0.21CC..EExtended strand (participates in β ladder)trans-136.2136.7-172.7-58.4-84000112I11 F13 I40 M44 V45 R48 F169 S170 S171 V186 V190I11-F188 HydrophobicContact CB-CD1 3.75Å; I11-F188 HydrophobicContact CB-CE1 4.09Å; I11-F188 HydrophobicContact CD1-CD1 4.24Å; I11-F188 HydrophobicContact CD1-CE1 3.68Å; I11-F188 HydrophobicContact CD1-CZ 4.49Å; I11-F188 HydrophobicContact CG1-CE1 4.43Å; I11-F188 HydrophobicContact CG2-CD1 4.08Å; I11-F188 HydrophobicContact CG2-CE1 4.39Å; I11-F188 CarbonylContact O-C 3.57Å; I11-F188 WeakPolarHBondContact O-CA 3.45Å; F13-F188 HydrophobicContact CE2-CB 4.38Å; F13-F188 AromaticContact CE2-CD1 3.68Å; F13-F188 HydrophobicContact CE2-CD1 3.68Å; F13-F188 HydrophobicContact CE2-CE1 4.43Å; F13-F188 HydrophobicContact CE2-CG 4.43Å; F13-F188 HydrophobicContact CZ-CD1 4.25Å; I40-F188 HydrophobicContact CD1-CB 3.77Å; I40-F188 HydrophobicContact CD1-CD1 3.72Å; I40-F188 HydrophobicContact CD1-CD2 4Å; I40-F188 HydrophobicContact CD1-CE1 4.27Å; I40-F188 HydrophobicContact CD1-CG 3.55Å; I40-F188 HydrophobicContact CG2-CD1 4.32Å; I40-F188 HydrophobicContact CG2-CE1 3.81Å; I40-F188 HydrophobicContact CG2-CE2 4.45Å; I40-F188 HydrophobicContact CG2-CZ 3.89Å; M44-F188 HydrophobicContact CG-CE1 4.27Å; M44-F188 HydrophobicContact SD-CE1 4.48Å; V45-F188 HydrophobicContact CG2-CE2 4.31Å; V45-F188 HydrophobicContact CG2-CZ 4.4Å; R48-F188 HydrophobicContact CB-CE1 4.04Å; R48-F188 HydrophobicContact CB-CE2 3.92Å; R48-F188 HydrophobicContact CB-CZ 3.37Å; R48-F188 HydrophobicContact CG-CE1 4.21Å; R48-F188 HydrophobicContact CG-CE2 3.97Å; R48-F188 HydrophobicContact CG-CZ 3.75Å; F169-F188 HydrophobicContact CD2-CD2 4.2Å; F169-F188 HydrophobicContact CD2-CE2 4.29Å; F169-F188 AromaticContact CE2-CD2 3.75Å; F169-F188 HydrophobicContact CE2-CD2 3.75Å; F169-F188 AromaticContact CE2-CE2 3.61Å; F169-F188 HydrophobicContact CE2-CE2 3.61Å; F169-F188 HydrophobicContact CZ-CD2 4Å; F169-F188 HydrophobicContact CZ-CE2 4.1Å; F169-F188 PolarHBondContact O-N 3.38Å; S170-F188 CarbonylContact C-O 3.54Å; S170-F188 WeakPolarHBondContact CA-O 3.43Å; S171-F188 PolarHBondContact N-O 2.86Å; V186-F188 WeakPolarHBondContact CG1-O 3.31Å; F188-V190 HydrophobicContact CB-CG1 4.22Å
189E93.5Very high89Confident51 Ų5137.2 Ų37.224%0.23820%0.197CC..EExtended strand (participates in β ladder)trans-101.1114.9163.8-173.3177.693.100108I11 I12 F13 S171 K173I11-E189 PolarHBondContact O-N 3.23Å; I12-E189 HydrophobicContact CG1-CB 4.17Å; I12-E189 HydrophobicContact CG2-CB 4.48Å; I12-E189 WeakPolarHBondContact CG2-OE1 3.15Å; F13-E189 WeakPolarHBondContact CD2-O 3.41Å; F13-E189 PolarHBondContact N-O 3.22Å; S171-E189 WeakPolarHBondContact O-CA 3.31Å; K173-E189 HydrophobicContact CB-CG 4.17Å; K173-E189 HydrophobicContact CG-CG 4.45Å
190V92.1Very high90.6Very high1 Ų131.5 Ų31.51%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-108.5155.9-172.8-62.40000111.7F13 I40 S171 K173 F188 I195F13-V190 HydrophobicContact CD2-CG1 4.21Å; I40-V190 HydrophobicContact CD1-CG1 3.81Å; S171-V190 WeakPolarHBondContact O-CG2 3.37Å; S171-V190 PolarHBondContact O-N 2.81Å; K173-V190 PolarHBondContact N-O 2.85Å; F188-V190 HydrophobicContact CB-CG1 4.22Å; V190-I195 HydrophobicContact CG2-CD1 3.99Å
191P89.7Confident91.8Very high6 Ų632.6 Ų32.64%0.03916%0.161CC..  trans-57.6155.8173.4-22.635.2000111F13 V193F13-P191 HydrophobicContact CB-CG 4.42Å; P191-V193 HydrophobicContact CB-CG1 4.38Å; P191-V193 HydrophobicContact CB-CG2 4.4Å; P191-V193 PolarHBondContact O-N 3.06Å
192N87.4Confident92.5Very high108 Ų10830.7 Ų30.758%0.57815%0.153SC*.SBendtrans-7566.8176.9-17114.7000111.7K172K172-N192 WeakPolarHBondContact CD-OD1 3.34Å
193V88.4Confident93Very high58 Ų5825.4 Ų25.435%0.35213%0.133SC..SBendtrans-121.3159.9175.5-62.10000109.7L39 P191 I195 A214L39-V193 HydrophobicContact CD1-CG2 3.74Å; P191-V193 HydrophobicContact CB-CG1 4.38Å; P191-V193 HydrophobicContact CB-CG2 4.4Å; P191-V193 PolarHBondContact O-N 3.06Å; V193-I195 HydrophobicContact CG2-CG2 3.79Å; V193-I195 PolarHBondContact O-N 3.02Å; V193-A214 HydrophobicContact CG2-CB 4.21Å
194F90.8Very high93Very high81 Ų8128.1 Ų28.136%0.35515%0.147SC..  trans-79.6105.8-179.4-169.5-86000109.9V196 Y202 A214 V215F194-V196 HydrophobicContact CD1-CG1 4.38Å; F194-V196 HydrophobicContact CE1-CG1 3.79Å; F194-Y202 AromaticContact CE1-CD2 3.77Å; F194-Y202 HydrophobicContact CE1-CD2 3.77Å; F194-Y202 AromaticContact CE1-CG 3.72Å; F194-Y202 HydrophobicContact CE1-CG 3.72Å; F194-Y202 HydrophobicContact CE2-CD2 4.19Å; F194-Y202 AromaticContact CZ-CD2 3.29Å; F194-Y202 HydrophobicContact CZ-CD2 3.29Å; F194-Y202 HydrophobicContact CZ-CE2 4.06Å; F194-Y202 AromaticContact CZ-CG 3.73Å; F194-Y202 HydrophobicContact CZ-CG 3.73Å; F194-A214 WeakPolarHBondContact O-CA 3.48Å; F194-V215 HydrophobicContact CD1-CB 4.13Å; F194-V215 HydrophobicContact CD1-CG2 4.11Å; F194-V215 HydrophobicContact CE1-CG2 4.35Å; F194-V215 PolarHBondContact O-N 3.18Å; F194-V215 VanDerWaalsContact O-N 3.09Å
195I94Very high92.9Very high7 Ų728.8 Ų28.84%0.03615%0.148CC..EExtended strand (participates in β ladder)trans-104.1149.3-17564.8167.3000112.9L39 M142 V190 V193 I200 V212 C213L39-I195 HydrophobicContact CD1-CG2 3.43Å; L39-I195 VanDerWaalsContact CD1-CG2 3.43Å; M142-I195 HydrophobicContact CE-CD1 3.4Å; M142-I195 VanDerWaalsContact CE-CD1 3.4Å; M142-I195 HydrophobicContact CE-CG1 3.38Å; V190-I195 HydrophobicContact CG2-CD1 3.99Å; V193-I195 HydrophobicContact CG2-CG2 3.79Å; V193-I195 PolarHBondContact O-N 3.02Å; I195-I200 HydrophobicContact CD1-CD1 3.93Å; I195-I200 HydrophobicContact CG1-CD1 4.4Å; I195-I200 WeakPolarHBondContact O-CG2 3.41Å; I195-V212 HydrophobicContact CB-CG1 3.97Å; I195-V212 HydrophobicContact CD1-CG1 3.68Å; I195-V212 HydrophobicContact CG1-CG1 4.35Å; I195-V212 HydrophobicContact CG2-CG1 4.37Å; I195-C213 CarbonylContact C-O 3.57Å; I195-C213 WeakPolarHBondContact CA-O 3.3Å
196V95.5Very high92.8Very high0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-142.1173.9176.5-630000110.5I35 F194 F206 L209 C213 V215I35-V196 HydrophobicContact CD1-CG2 4.2Å; F194-V196 HydrophobicContact CD1-CG1 4.38Å; F194-V196 HydrophobicContact CE1-CG1 3.79Å; V196-F206 HydrophobicContact CB-CB 3.61Å; V196-F206 HydrophobicContact CB-CD2 4.39Å; V196-F206 HydrophobicContact CB-CG 4.1Å; V196-F206 HydrophobicContact CG1-CB 4.19Å; V196-F206 HydrophobicContact CG1-CD2 4.09Å; V196-F206 HydrophobicContact CG1-CG 4.3Å; V196-F206 HydrophobicContact CG2-CB 3.6Å; V196-F206 HydrophobicContact CG2-CD1 4.09Å; V196-F206 HydrophobicContact CG2-CD2 4.33Å; V196-F206 HydrophobicContact CG2-CG 3.78Å; V196-L209 HydrophobicContact CG2-CD1 4.27Å; V196-C213 HydrophobicContact CG2-CB 4.18Å; V196-C213 PolarHBondContact N-O 2.92Å; V196-C213 PolarHBondContact O-N 3.01Å; V196-V215 HydrophobicContact CB-CG2 3.98Å; V196-V215 HydrophobicContact CG1-CG2 3.45Å; V196-V215 VanDerWaalsContact CG1-CG2 3.45Å; V196-V215 HydrophobicContact CG2-CG2 3.29Å
197G96.3Very high92.8Very high0 Ų030.6 Ų30.60%015%0.153CC..BIsolated β-bridgetrans88.9170-179.800000112.6G199 I200 F206 H211G197-G199 PolarHBondContact O-N 2.86Å; G197-I200 PolarHBondContact N-O 3.11Å; G197-I200 WeakPolarHBondContact O-CB 3.39Å; G197-I200 PolarHBondContact O-N 3.05Å; G197-F206 VanDerWaalsContact CA-O 3.29Å; G197-F206 WeakPolarHBondContact CA-O 3.34Å; G197-H211 CarbonylContact C-O 3.58Å; G197-H211 WeakPolarHBondContact CA-O 3.31Å
198Y96.5Very high92.7Very high14 Ų1435.9 Ų35.96%0.05518%0.178CC..THydrogen-bonded Turntrans50.942.3-173.2-165.7-105.9000112.5V45 L49 K79 F80 D83 F169 I200 L209 H211V45-Y198 HydrophobicContact CG1-CD1 4.19Å; V45-Y198 HydrophobicContact CG1-CD2 4.15Å; V45-Y198 HydrophobicContact CG1-CE1 3.65Å; V45-Y198 HydrophobicContact CG1-CE2 3.62Å; V45-Y198 HydrophobicContact CG1-CG 4.42Å; L49-Y198 VanDerWaalsContact CD1-OH 3.25Å; L49-Y198 WeakPolarHBondContact CD1-OH 3.29Å; K79-Y198 HydrophobicContact CD-CE2 4.45Å; K79-Y198 HydrophobicContact CG-CD1 4.49Å; K79-Y198 HydrophobicContact CG-CD2 4Å; K79-Y198 HydrophobicContact CG-CE1 4.38Å; K79-Y198 HydrophobicContact CG-CE2 3.85Å; K79-Y198 HydrophobicContact CG-CG 4.3Å; F80-Y198 HydrophobicContact CB-CE1 4.17Å; D83-Y198 WeakPolarHBondContact CB-OH 3.3Å; D83-Y198 VanDerWaalsContact CG-OH 3.32Å; D83-Y198 WeakPolarHBondContact OD2-CE2 3.34Å; D83-Y198 PolarHBondContact OD2-OH 3.2Å; F169-Y198 HydrophobicContact CD1-CD1 4.32Å; F169-Y198 AromaticContact CD2-CD1 3.98Å; F169-Y198 HydrophobicContact CD2-CD1 3.98Å; F169-Y198 AromaticContact CD2-CE1 3.73Å; F169-Y198 HydrophobicContact CD2-CE1 3.73Å; F169-Y198 AromaticContact CE1-CD1 3.91Å; F169-Y198 HydrophobicContact CE1-CD1 3.91Å; F169-Y198 AromaticContact CE2-CD1 3.53Å; F169-Y198 HydrophobicContact CE2-CD1 3.53Å; F169-Y198 AromaticContact CE2-CE1 3.5Å; F169-Y198 HydrophobicContact CE2-CE1 3.5Å; F169-Y198 HydrophobicContact CG-CD1 4.35Å; F169-Y198 HydrophobicContact CG-CE1 4.38Å; F169-Y198 AromaticContact CZ-CD1 3.48Å; F169-Y198 HydrophobicContact CZ-CD1 3.48Å; F169-Y198 VanDerWaalsContact CZ-CD1 3.48Å; F169-Y198 AromaticContact CZ-CE1 3.99Å; F169-Y198 HydrophobicContact CZ-CE1 3.99Å; F169-Y198 HydrophobicContact CZ-CG 4.26Å; Y198-I200 VanDerWaalsContact C-N 3.33Å; Y198-I200 PolarHBondContact O-N 2.88Å; Y198-L209 PolarHBondContact N-O 2.98Å; Y198-H211 PolarHBondContact N-O 3.19Å
199G94Very high92.7Very high8 Ų836 Ų368%0.08218%0.178CC..THydrogen-bonded Turntrans89.2-19.1-177.600000115.4G197 R207G197-G199 PolarHBondContact O-N 2.86Å; G199-R207 PolarHBondContact N-O 3.18Å; G199-R207 WeakPolarHBondContact O-CG 3.29Å; G199-R207 PolarHBondContact O-NH1 3.09Å
200I94Very high92.8Very high8 Ų836.6 Ų36.64%0.04119%0.187CC..BIsolated β-bridgetrans-75.7134.6173.9-54.5167.7000108.5D141 M142 F169 I195 G197 Y198D141-I200 HydrophobicContact CB-CG1 4.05Å; M142-I200 HydrophobicContact CE-CD1 3.95Å; M142-I200 HydrophobicContact CE-CG2 4.12Å; F169-I200 HydrophobicContact CD1-CD1 4.11Å; F169-I200 HydrophobicContact CE1-CD1 4.14Å; I195-I200 HydrophobicContact CD1-CD1 3.93Å; I195-I200 HydrophobicContact CG1-CD1 4.4Å; I195-I200 WeakPolarHBondContact O-CG2 3.41Å; G197-I200 PolarHBondContact N-O 3.11Å; G197-I200 WeakPolarHBondContact O-CB 3.39Å; G197-I200 PolarHBondContact O-N 3.05Å; Y198-I200 VanDerWaalsContact C-N 3.33Å; Y198-I200 PolarHBondContact O-N 2.88Å
201D92.8Very high93Very high46 Ų4637.7 Ų37.725%0.24619%0.192CC..  trans-119.5169.4-173.776.799.4000114.3N203 D204 Q205 R207D201-N203 PolarHBondContact OD1-N 3.11Å; D201-D204 PolarHBondContact OD1-N 2.63Å; D201-Q205 WeakPolarHBondContact CA-O 3.33Å; D201-Q205 WeakPolarHBondContact CB-O 3.21Å; D201-R207 HydrophobicContact CB-CG 3.51Å; D201-R207 VanDerWaalsContact CB-CZ 3.45Å; D201-R207 IonicContact OD1-NH2 3.52Å; D201-R207 IonicContact OD2-CZ 2.78Å; D201-R207 IonicContact OD2-NE 2.83Å; D201-R207 IonicContact OD2-NH1 3.59Å; D201-R207 PolarHBondContact OD2-NH1 2.82Å; D201-R207 IonicContact OD2-NH2 3.39Å; D201-R207 PolarHBondContact OD2-NH2 2.78Å
202Y90.6Very high93.3Very high34 Ų3437.4 Ų37.413%0.13319%0.19CC..BIsolated β-bridgetrans-132.1110.8157.5177.2-124.3000109.6F194 D204 Q205 F206 K220 F223 L224F194-Y202 AromaticContact CE1-CD2 3.77Å; F194-Y202 HydrophobicContact CE1-CD2 3.77Å; F194-Y202 AromaticContact CE1-CG 3.72Å; F194-Y202 HydrophobicContact CE1-CG 3.72Å; F194-Y202 HydrophobicContact CE2-CD2 4.19Å; F194-Y202 AromaticContact CZ-CD2 3.29Å; F194-Y202 HydrophobicContact CZ-CD2 3.29Å; F194-Y202 HydrophobicContact CZ-CE2 4.06Å; F194-Y202 AromaticContact CZ-CG 3.73Å; F194-Y202 HydrophobicContact CZ-CG 3.73Å; Y202-D204 VanDerWaalsContact C-N 3.3Å; Y202-D204 PolarHBondContact O-N 2.89Å; Y202-Q205 PolarHBondContact N-O 3.07Å; Y202-Q205 VanDerWaalsContact N-O 3.11Å; Y202-Q205 VanDerWaalsContact O-CB 3.24Å; Y202-Q205 WeakPolarHBondContact O-CB 3.44Å; Y202-Q205 WeakPolarHBondContact O-CG 3.47Å; Y202-Q205 PolarHBondContact O-N 3.31Å; Y202-F206 HydrophobicContact CD1-CE2 4.17Å; Y202-K220 VanDerWaalsContact CE1-O 3.3Å; Y202-K220 WeakPolarHBondContact CE1-O 3.4Å; Y202-K220 PolarHBondContact OH-O 3.39Å; Y202-F223 HydrophobicContact CD1-CB 3.84Å; Y202-F223 HydrophobicContact CE1-CB 3.87Å; Y202-L224 VanDerWaalsContact OH-CD1 3.31Å; Y202-L224 WeakPolarHBondContact OH-CD1 3.34Å
203N88.6Confident93.8Very high53 Ų5332.3 Ų32.328%0.28316%0.163SC..THydrogen-bonded Turntrans52.349.6-174.6-58.3-34.4000111.6D201 Q205 F223 L224 G225 G227D201-N203 PolarHBondContact OD1-N 3.11Å; N203-Q205 PolarHBondContact O-N 3.34Å; N203-Q205 VanDerWaalsContact O-N 3.09Å; N203-Q205 PolarHBondContact O-NE2 3.38Å; N203-F223 PolarHBondContact ND2-O 3.07Å; N203-L224 WeakPolarHBondContact ND2-CA 3.43Å; N203-G225 PolarHBondContact ND2-N 2.93Å; N203-G227 WeakPolarHBondContact O-CA 2.96Å
204D90.4Very high94.1Very high63 Ų6329.8 Ų29.834%0.33715%0.148SC..THydrogen-bonded Turntrans61.611.5-177.4-84.3-32.6000115.2K75 D201 Y202 R207K75-D204 IonicContact NZ-OD1 3Å; K75-D204 IonicContact NZ-OD2 2.8Å; K75-D204 PolarHBondContact NZ-OD2 3.36Å; D201-D204 PolarHBondContact OD1-N 2.63Å; Y202-D204 VanDerWaalsContact C-N 3.3Å; Y202-D204 PolarHBondContact O-N 2.89Å; D204-R207 IonicContact OD1-CZ 3.7Å; D204-R207 IonicContact OD1-NE 3.67Å; D204-R207 PolarHBondContact OD1-NE 2.84Å; D204-R207 IonicContact OD1-NH2 2.86Å; D204-R207 PolarHBondContact OD1-NH2 2.77Å
205Q93.1Very high94.4Very high45 Ų4526.2 Ų26.221%0.2113%0.133CC..BIsolated β-bridgetrans-96.2164.7173.8-50.7-60.7-59.900112.2Y31 D201 Y202 N203 R207 F223Y31-Q205 HydrophobicContact CE1-CB 4.4Å; D201-Q205 WeakPolarHBondContact CA-O 3.33Å; D201-Q205 WeakPolarHBondContact CB-O 3.21Å; Y202-Q205 PolarHBondContact N-O 3.07Å; Y202-Q205 VanDerWaalsContact N-O 3.11Å; Y202-Q205 VanDerWaalsContact O-CB 3.24Å; Y202-Q205 WeakPolarHBondContact O-CB 3.44Å; Y202-Q205 WeakPolarHBondContact O-CG 3.47Å; Y202-Q205 PolarHBondContact O-N 3.31Å; N203-Q205 PolarHBondContact O-N 3.34Å; N203-Q205 VanDerWaalsContact O-N 3.09Å; N203-Q205 PolarHBondContact O-NE2 3.38Å; Q205-R207 PolarHBondContact O-N 3.03Å; Q205-R207 VanDerWaalsContact O-N 3.11Å; Q205-F223 HydrophobicContact CB-CD1 4.28Å; Q205-F223 HydrophobicContact CG-CB 4.18Å; Q205-F223 HydrophobicContact CG-CD1 3.6Å; Q205-F223 HydrophobicContact CG-CE1 4.26Å; Q205-F223 HydrophobicContact CG-CG 4.09Å
206F95.4Very high94.4Very high0 Ų027.7 Ų27.70%014%0.141CC..SBendtrans68.7-6.4171.8-51.5-84.4000117.2Y31 H34 I35 V196 G197 Y202 E208 L209 V215 F223Y31-F206 AromaticContact CD1-CD1 3.48Å; Y31-F206 HydrophobicContact CD1-CD1 3.48Å; Y31-F206 VanDerWaalsContact CD1-CD1 3.48Å; Y31-F206 AromaticContact CD1-CE1 3.35Å; Y31-F206 HydrophobicContact CD1-CE1 3.35Å; Y31-F206 HydrophobicContact CD1-CG 4.32Å; Y31-F206 HydrophobicContact CD1-CZ 4.07Å; Y31-F206 HydrophobicContact CD2-CD1 4.25Å; Y31-F206 HydrophobicContact CE1-CD1 4.02Å; Y31-F206 HydrophobicContact CE1-CE1 4.12Å; Y31-F206 HydrophobicContact CE1-CG 4.44Å; Y31-F206 AromaticContact CG-CD1 3.6Å; Y31-F206 HydrophobicContact CG-CD1 3.6Å; Y31-F206 AromaticContact CG-CE1 3.74Å; Y31-F206 HydrophobicContact CG-CE1 3.74Å; H34-F206 HydrophobicContact CB-CE1 4.13Å; H34-F206 HydrophobicContact CB-CZ 4.27Å; I35-F206 HydrophobicContact CD1-CD1 4.2Å; I35-F206 HydrophobicContact CD1-CE1 4.18Å; V196-F206 HydrophobicContact CB-CB 3.61Å; V196-F206 HydrophobicContact CB-CD2 4.39Å; V196-F206 HydrophobicContact CB-CG 4.1Å; V196-F206 HydrophobicContact CG1-CB 4.19Å; V196-F206 HydrophobicContact CG1-CD2 4.09Å; V196-F206 HydrophobicContact CG1-CG 4.3Å; V196-F206 HydrophobicContact CG2-CB 3.6Å; V196-F206 HydrophobicContact CG2-CD1 4.09Å; V196-F206 HydrophobicContact CG2-CD2 4.33Å; V196-F206 HydrophobicContact CG2-CG 3.78Å; G197-F206 VanDerWaalsContact CA-O 3.29Å; G197-F206 WeakPolarHBondContact CA-O 3.34Å; Y202-F206 HydrophobicContact CD1-CE2 4.17Å; F206-E208 VanDerWaalsContact CA-OE2 3.29Å; F206-E208 WeakPolarHBondContact CA-OE2 3.31Å; F206-E208 PolarHBondContact N-OE2 3.27Å; F206-E208 PolarHBondContact O-N 3.2Å; F206-L209 HydrophobicContact CB-CD1 4.15Å; F206-L209 HydrophobicContact CB-CG 4.44Å; F206-L209 HydrophobicContact CD1-CD1 3.98Å; F206-L209 WeakPolarHBondContact O-CB 3.29Å; F206-L209 WeakPolarHBondContact O-CG 3.43Å; F206-L209 PolarHBondContact O-N 3.38Å; F206-V215 HydrophobicContact CZ-CG1 4.21Å; F206-F223 HydrophobicContact CE1-CD2 4.4Å; F206-F223 HydrophobicContact CE1-CE2 4.11Å; F206-F223 HydrophobicContact CE2-CB 4.29Å; F206-F223 AromaticContact CE2-CD2 3.63Å; F206-F223 HydrophobicContact CE2-CD2 3.63Å; F206-F223 HydrophobicContact CE2-CE2 4.12Å; F206-F223 HydrophobicContact CE2-CG 4.01Å; F206-F223 AromaticContact CZ-CD2 3.32Å; F206-F223 HydrophobicContact CZ-CD2 3.32Å; F206-F223 AromaticContact CZ-CE2 3.42Å; F206-F223 HydrophobicContact CZ-CE2 3.42Å; F206-F223 VanDerWaalsContact CZ-CE2 3.42Å; F206-F223 HydrophobicContact CZ-CG 4.14Å; F206-F223 HydrophobicContact CZ-CZ 4.3Å
207R94.6Very high94.4Very high59 Ų5932.9 Ų32.922%0.22317%0.168CC..THydrogen-bonded Turntrans-51.9-35.6-178.5-68.4-167.1-170.3-77.40.4113.2G199 D201 D204 Q205 L209G199-R207 PolarHBondContact N-O 3.18Å; G199-R207 WeakPolarHBondContact O-CG 3.29Å; G199-R207 PolarHBondContact O-NH1 3.09Å; D201-R207 HydrophobicContact CB-CG 3.51Å; D201-R207 VanDerWaalsContact CB-CZ 3.45Å; D201-R207 IonicContact OD1-NH2 3.52Å; D201-R207 IonicContact OD2-CZ 2.78Å; D201-R207 IonicContact OD2-NE 2.83Å; D201-R207 IonicContact OD2-NH1 3.59Å; D201-R207 PolarHBondContact OD2-NH1 2.82Å; D201-R207 IonicContact OD2-NH2 3.39Å; D201-R207 PolarHBondContact OD2-NH2 2.78Å; D204-R207 IonicContact OD1-CZ 3.7Å; D204-R207 IonicContact OD1-NE 3.67Å; D204-R207 PolarHBondContact OD1-NE 2.84Å; D204-R207 IonicContact OD1-NH2 2.86Å; D204-R207 PolarHBondContact OD1-NH2 2.77Å; Q205-R207 PolarHBondContact O-N 3.03Å; Q205-R207 VanDerWaalsContact O-N 3.11Å; R207-L209 VanDerWaalsContact C-N 3.27Å; R207-L209 PolarHBondContact O-N 3.49Å
208E93.8Very high94.4Very high112 Ų11236.8 Ų36.852%0.52319%0.187SC..THydrogen-bonded Turntrans-73.9-13.3-175.669.3-88.5-126.400113.9Y31 F206Y31-E208 VanDerWaalsContact CE2-CD 3.41Å; Y31-E208 HydrophobicContact CE2-CG 4.14Å; Y31-E208 WeakPolarHBondContact CE2-OE1 3.41Å; Y31-E208 PolarHBondContact OH-OE1 3.48Å; F206-E208 VanDerWaalsContact CA-OE2 3.29Å; F206-E208 WeakPolarHBondContact CA-OE2 3.31Å; F206-E208 PolarHBondContact N-OE2 3.27Å; F206-E208 PolarHBondContact O-N 3.2Å
209L96.4Very high94.2Very high1 Ų136.1 Ų36.11%0.00518%0.184CC..  trans-60.1128.6176.8-65.5-176.6000109.5L27 P28 Y31 I35 V196 Y198 F206 R207 H211 C213L27-L209 HydrophobicContact CD2-CD2 4.17Å; P28-L209 HydrophobicContact CG-CD2 4Å; Y31-L209 HydrophobicContact CD2-CD2 3.94Å; Y31-L209 HydrophobicContact CD2-CG 4.43Å; I35-L209 HydrophobicContact CD1-CD1 3.78Å; I35-L209 HydrophobicContact CG1-CD1 4.15Å; V196-L209 HydrophobicContact CG2-CD1 4.27Å; Y198-L209 PolarHBondContact N-O 2.98Å; F206-L209 HydrophobicContact CB-CD1 4.15Å; F206-L209 HydrophobicContact CB-CG 4.44Å; F206-L209 HydrophobicContact CD1-CD1 3.98Å; F206-L209 WeakPolarHBondContact O-CB 3.29Å; F206-L209 WeakPolarHBondContact O-CG 3.43Å; F206-L209 PolarHBondContact O-N 3.38Å; R207-L209 VanDerWaalsContact C-N 3.27Å; R207-L209 PolarHBondContact O-N 3.49Å; L209-H211 PolarHBondContact O-N 3.34Å; L209-C213 HydrophobicContact CD1-CB 4.31Å
210P93.8Very high94.2Very high65 Ų6539 Ų3942%0.42219%0.194SC..SBendtrans-75.94.1-174.930.8-36000113.4G42G42-P210 WeakPolarHBondContact CA-O 3.46Å
211H96.9Very high94.2Very high24 Ų2447.7 Ų47.711%0.11123%0.227CC..SBendtrans-133.4159.9-172-51.2-31.6000109.1F25 I38 G42 G197 Y198 L209 C213F25-H211 AromaticContact CD1-CD2 3.7Å; F25-H211 AromaticContact CD1-NE2 3.29Å; F25-H211 VanDerWaalsContact CD1-NE2 3.29Å; F25-H211 WeakPolarHBondContact CD1-NE2 3.43Å; F25-H211 AromaticContact CG-NE2 3.97Å; I38-H211 HydrophobicContact CD1-CB 4.33Å; I38-H211 HydrophobicContact CG2-CB 3.76Å; G42-H211 PolarHBondContact N-ND1 3.25Å; G197-H211 CarbonylContact C-O 3.58Å; G197-H211 WeakPolarHBondContact CA-O 3.31Å; Y198-H211 PolarHBondContact N-O 3.19Å; L209-H211 PolarHBondContact O-N 3.34Å; H211-C213 PolarHBondContact O-SG 3.32Å
212V97.3Very high94.3Very high0 Ų049 Ų490%023%0.231CC..EExtended strand (participates in β ladder)trans-87.4120.9167.2-174.10000108L39 I40 F169 I195L39-V212 PolarHBondContact N-O 2.96Å; I40-V212 HydrophobicContact CB-CB 3.81Å; I40-V212 HydrophobicContact CB-CG2 3.95Å; I40-V212 HydrophobicContact CD1-CB 4.19Å; I40-V212 HydrophobicContact CD1-CG1 4.45Å; I40-V212 HydrophobicContact CD1-CG2 4.11Å; I40-V212 HydrophobicContact CG1-CB 4.01Å; I40-V212 HydrophobicContact CG1-CG2 4.32Å; I40-V212 PolarHBondContact N-O 3.15Å; I40-V212 VanDerWaalsContact N-O 3.08Å; I40-V212 PolarHBondContact O-N 3.25Å; F169-V212 HydrophobicContact CE1-CG2 3.49Å; F169-V212 VanDerWaalsContact CE1-CG2 3.49Å; F169-V212 HydrophobicContact CZ-CG2 3.44Å; F169-V212 VanDerWaalsContact CZ-CG2 3.44Å; I195-V212 HydrophobicContact CB-CG1 3.97Å; I195-V212 HydrophobicContact CD1-CG1 3.68Å; I195-V212 HydrophobicContact CG1-CG1 4.35Å; I195-V212 HydrophobicContact CG2-CG1 4.37Å
213C97Very high94.3Very high0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-124.1148-169.7-54.80000109.7I35 T37 I38 I195 V196 L209 H211I35-C213 HydrophobicContact CD1-CB 3.85Å; I35-C213 HydrophobicContact CG1-CB 4.34Å; I35-C213 HydrophobicContact CG2-CB 3.84Å; T37-C213 CarbonylContact O-C 3.52Å; T37-C213 WeakPolarHBondContact O-CA 3.3Å; I38-C213 HydrophobicContact CD1-CB 4.29Å; I38-C213 WeakPolarHBondContact CD1-SG 3.48Å; I195-C213 CarbonylContact C-O 3.57Å; I195-C213 WeakPolarHBondContact CA-O 3.3Å; V196-C213 HydrophobicContact CG2-CB 4.18Å; V196-C213 PolarHBondContact N-O 2.92Å; V196-C213 PolarHBondContact O-N 3.01Å; L209-C213 HydrophobicContact CD1-CB 4.31Å; H211-C213 PolarHBondContact O-SG 3.32Å
214A95.5Very high94.4Very high5 Ų551.2 Ų51.24%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-92.3136.1165.300000110.2S36 T37 L39 V193 F194S36-A214 PolarHBondContact N-O 2.82Å; S36-A214 WeakPolarHBondContact OG-CB 3.28Å; S36-A214 PolarHBondContact OG-O 2.64Å; S36-A214 VanDerWaalsContact OG-O 3.07Å; T37-A214 HydrophobicContact CG2-CB 3.82Å; T37-A214 PolarHBondContact O-N 3.48Å; L39-A214 HydrophobicContact CD1-CB 4.27Å; V193-A214 HydrophobicContact CG2-CB 4.21Å; F194-A214 WeakPolarHBondContact O-CA 3.48Å
215V95.3Very high94.2Very high6 Ų651.4 Ų51.44%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-89.6134.4178-171.70000109.9H34 F194 V196 F206 K220H34-V215 WeakPolarHBondContact O-CA 3.42Å; F194-V215 HydrophobicContact CD1-CB 4.13Å; F194-V215 HydrophobicContact CD1-CG2 4.11Å; F194-V215 HydrophobicContact CE1-CG2 4.35Å; F194-V215 PolarHBondContact O-N 3.18Å; F194-V215 VanDerWaalsContact O-N 3.09Å; V196-V215 HydrophobicContact CB-CG2 3.98Å; V196-V215 HydrophobicContact CG1-CG2 3.45Å; V196-V215 VanDerWaalsContact CG1-CG2 3.45Å; V196-V215 HydrophobicContact CG2-CG2 3.29Å; F206-V215 HydrophobicContact CZ-CG1 4.21Å; V215-K220 HydrophobicContact CB-CG 4.5Å; V215-K220 HydrophobicContact CG1-CG 4.16Å; V215-K220 WeakPolarHBondContact O-CE 3.08Å
216N94.9Very high93.5Very high38 Ų3854.7 Ų54.720%0.20327%0.274CS..PPolyproline II helixtrans-78.9168.617468.928.8000112.1K33 H34 E218 G219 K220K33-N216 PolarHBondContact O-ND2 3.15Å; H34-N216 WeakPolarHBondContact CA-ND2 3.24Å; H34-N216 VanDerWaalsContact O-CG 3.24Å; H34-N216 PolarHBondContact O-N 3.24Å; H34-N216 PolarHBondContact O-OD1 3.31Å; N216-E218 PolarHBondContact O-N 3.42Å; N216-E218 WeakPolarHBondContact OD1-CB 3.45Å; N216-E218 PolarHBondContact OD1-N 2.83Å; N216-G219 PolarHBondContact O-N 3Å; N216-G219 VanDerWaalsContact O-N 3.15Å; N216-G219 PolarHBondContact OD1-N 3.49Å; N216-K220 PolarHBondContact O-N 2.83Å
217D95.4Very high92.4Very high109 Ų10959.2 Ų59.258%0.58332%0.321SS*.Hα-helixtrans-69.4-20.6-176-62-29.3000113.5K220 R221D217-K220 IonicContact OD1-NZ 3.83Å; D217-K220 PolarHBondContact OD1-NZ 3.06Å; D217-R221 VanDerWaalsContact O-CG 3.31Å; D217-R221 WeakPolarHBondContact O-CG 3.43Å; D217-R221 PolarHBondContact O-N 3.09Å; D217-R221 PolarHBondContact O-NE 3.05Å
218E95.4Very high92.3Very high82 Ų8259.2 Ų59.238%0.38333%0.326SS..Hα-helixtrans-66.6-48.5169.4-171.5-176.1149.100110.6K33 H34 N216 K220 R221 E222K33-E218 IonicContact NZ-OE1 3.55Å; K33-E218 PolarHBondContact NZ-OE1 2.79Å; H34-E218 IonicContact CE1-OE1 3.1Å; N216-E218 PolarHBondContact O-N 3.42Å; N216-E218 WeakPolarHBondContact OD1-CB 3.45Å; N216-E218 PolarHBondContact OD1-N 2.83Å; E218-K220 PolarHBondContact O-N 3.22Å; E218-R221 PolarHBondContact O-N 2.98Å; E218-E222 WeakPolarHBondContact O-CB 3.31Å; E218-E222 PolarHBondContact O-N 3.35Å
219G93.8Very high92.2Very high0 Ų056.4 Ų56.40%032%0.315CS..Hα-helixtrans-60.2-45.1176.200000112.6H34 N216 R221 E222 F223H34-G219 VanDerWaalsContact ND1-CA 3.31Å; H34-G219 WeakPolarHBondContact ND1-CA 3.46Å; H34-G219 PolarHBondContact ND1-N 3.31Å; N216-G219 PolarHBondContact O-N 3Å; N216-G219 VanDerWaalsContact O-N 3.15Å; N216-G219 PolarHBondContact OD1-N 3.49Å; G219-R221 VanDerWaalsContact C-N 3.29Å; G219-R221 PolarHBondContact O-N 3.18Å; G219-E222 PolarHBondContact O-N 3.29Å; G219-F223 VanDerWaalsContact O-CD2 3.28Å; G219-F223 WeakPolarHBondContact O-CD2 3.34Å; G219-F223 PolarHBondContact O-N 2.75Å
220K93.6Very high92Very high69 Ų6959.5 Ų59.530%0.333%0.333SS..Hα-helixtrans-57.8-42.4176.9-67.4176.4-162.9155.40112.1Y202 V215 N216 D217 E218 L224Y202-K220 VanDerWaalsContact CE1-O 3.3Å; Y202-K220 WeakPolarHBondContact CE1-O 3.4Å; Y202-K220 PolarHBondContact OH-O 3.39Å; V215-K220 HydrophobicContact CB-CG 4.5Å; V215-K220 HydrophobicContact CG1-CG 4.16Å; V215-K220 WeakPolarHBondContact O-CE 3.08Å; N216-K220 PolarHBondContact O-N 2.83Å; D217-K220 IonicContact OD1-NZ 3.83Å; D217-K220 PolarHBondContact OD1-NZ 3.06Å; E218-K220 PolarHBondContact O-N 3.22Å; K220-L224 WeakPolarHBondContact O-CB 3.35Å; K220-L224 PolarHBondContact O-N 3.09Å
221R94.4Very high91.8Very high191 Ų19159.2 Ų59.272%0.72133%0.327SS*.Hα-helixtrans-70.7-43.1177.1-72.8-175.6-60.4160.44.2112.2D217 E218 G219 F223D217-R221 VanDerWaalsContact O-CG 3.31Å; D217-R221 WeakPolarHBondContact O-CG 3.43Å; D217-R221 PolarHBondContact O-N 3.09Å; D217-R221 PolarHBondContact O-NE 3.05Å; E218-R221 PolarHBondContact O-N 2.98Å; G219-R221 VanDerWaalsContact C-N 3.29Å; G219-R221 PolarHBondContact O-N 3.18Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.44Å
222E93.6Very high91.5Very high72 Ų7261.4 Ų61.434%0.33634%0.341SS..Hα-helixtrans-66.8-35.1-175.6-178.2160.5169.100112.4K33 H34 E218 G219 K226K33-E222 IonicContact NZ-OE2 3.83Å; K33-E222 PolarHBondContact NZ-OE2 2.83Å; H34-E222 IonicContact CE1-OE2 2.88Å; H34-E222 PolarHBondContact CE1-OE2 3.46Å; H34-E222 IonicContact NE2-OE1 3.15Å; H34-E222 IonicContact NE2-OE2 2.91Å; H34-E222 PolarHBondContact NE2-OE2 2.8Å; H34-E222 VanDerWaalsContact NE2-OE2 3.1Å; E218-E222 WeakPolarHBondContact O-CB 3.31Å; E218-E222 PolarHBondContact O-N 3.35Å; G219-E222 PolarHBondContact O-N 3.29Å; E222-K226 VanDerWaalsContact O-CD 3.31Å; E222-K226 WeakPolarHBondContact O-CD 3.31Å; E222-K226 WeakPolarHBondContact O-CE 3.42Å; E222-K226 PolarHBondContact O-NZ 2.88Å
223F91.2Very high91.1Very high13 Ų1365.5 Ų65.56%0.05736%0.364CS..THydrogen-bonded Turntrans-103.45.3-177.4-62.3-75.7000114.4Y31 H34 Y202 N203 Q205 F206 G219 R221 G225 K226Y31-F223 HydrophobicContact CD1-CE2 4.21Å; Y31-F223 AromaticContact CD1-CZ 3.81Å; Y31-F223 HydrophobicContact CD1-CZ 3.81Å; Y31-F223 HydrophobicContact CE1-CE1 4.13Å; Y31-F223 AromaticContact CE1-CZ 3.87Å; Y31-F223 HydrophobicContact CE1-CZ 3.87Å; H34-F223 HydrophobicContact CB-CE2 4.46Å; H34-F223 AromaticContact CD2-CE2 3.46Å; H34-F223 VanDerWaalsContact CD2-CE2 3.46Å; H34-F223 WeakPolarHBondContact CD2-CE2 3.05Å; H34-F223 AromaticContact CG-CE2 3.91Å; H34-F223 AromaticContact NE2-CE2 3.88Å; Y202-F223 HydrophobicContact CD1-CB 3.84Å; Y202-F223 HydrophobicContact CE1-CB 3.87Å; N203-F223 PolarHBondContact ND2-O 3.07Å; Q205-F223 HydrophobicContact CB-CD1 4.28Å; Q205-F223 HydrophobicContact CG-CB 4.18Å; Q205-F223 HydrophobicContact CG-CD1 3.6Å; Q205-F223 HydrophobicContact CG-CE1 4.26Å; Q205-F223 HydrophobicContact CG-CG 4.09Å; F206-F223 HydrophobicContact CE1-CD2 4.4Å; F206-F223 HydrophobicContact CE1-CE2 4.11Å; F206-F223 HydrophobicContact CE2-CB 4.29Å; F206-F223 AromaticContact CE2-CD2 3.63Å; F206-F223 HydrophobicContact CE2-CD2 3.63Å; F206-F223 HydrophobicContact CE2-CE2 4.12Å; F206-F223 HydrophobicContact CE2-CG 4.01Å; F206-F223 AromaticContact CZ-CD2 3.32Å; F206-F223 HydrophobicContact CZ-CD2 3.32Å; F206-F223 AromaticContact CZ-CE2 3.42Å; F206-F223 HydrophobicContact CZ-CE2 3.42Å; F206-F223 VanDerWaalsContact CZ-CE2 3.42Å; F206-F223 HydrophobicContact CZ-CG 4.14Å; F206-F223 HydrophobicContact CZ-CZ 4.3Å; G219-F223 VanDerWaalsContact O-CD2 3.28Å; G219-F223 WeakPolarHBondContact O-CD2 3.34Å; G219-F223 PolarHBondContact O-N 2.75Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 PolarHBondContact O-N 3.44Å; F223-G225 PolarHBondContact O-N 3.1Å; F223-K226 HydrophobicContact CD1-CD 4.13Å; F223-K226 PolarHBondContact O-N 2.91Å
224L90.4Very high90.7Very high122 Ų12270.1 Ų70.164%0.63939%0.39SS*.THydrogen-bonded Turntrans-60.3120.6174-174.664.4000110.1Y202 N203 K220 K226Y202-L224 VanDerWaalsContact OH-CD1 3.31Å; Y202-L224 WeakPolarHBondContact OH-CD1 3.34Å; N203-L224 WeakPolarHBondContact ND2-CA 3.43Å; K220-L224 WeakPolarHBondContact O-CB 3.35Å; K220-L224 PolarHBondContact O-N 3.09Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 2.83Å
225G85.6Confident90.4Very high66 Ų6675.2 Ų75.268%0.6842%0.416SS*.THydrogen-bonded Turntrans74.214.6175.900000115.9N203 F223 G227N203-G225 PolarHBondContact ND2-N 2.93Å; F223-G225 PolarHBondContact O-N 3.1Å; G225-G227 VanDerWaalsContact C-N 3.34Å
226K79.5Confident89.9Confident114 Ų11480.9 Ų80.950%0.49645%0.448SS..  trans-91.417.8177.7-69.5-169176.9161.30114.6E222 F223 L224E222-K226 VanDerWaalsContact O-CD 3.31Å; E222-K226 WeakPolarHBondContact O-CD 3.31Å; E222-K226 WeakPolarHBondContact O-CE 3.42Å; E222-K226 PolarHBondContact O-NZ 2.88Å; F223-K226 HydrophobicContact CD1-CD 4.13Å; F223-K226 PolarHBondContact O-N 2.91Å; L224-K226 VanDerWaalsContact C-N 3.34Å; L224-K226 PolarHBondContact O-N 2.83Å
227G71.6Confident89.5Confident95 Ų9584.8 Ų84.898%0.97947%0.47SS*.  trans-93.10179.900000114.1N203 G225N203-G227 WeakPolarHBondContact O-CA 2.96Å; G225-G227 VanDerWaalsContact C-N 3.34Å

Retrieved 227 of 227 residues in 457.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).