A0A3Q0KKV1_SCHMA Loading...

Developmentally regulated GTP-binding protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KKV1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 404 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.8Very low70.3Confident210 Ų21077.2 Ų77.2100%1.03438%0.384SS*.  0133.20-69.7-177.1-162.900105.9K3 F49M1-K3 PolarHBondContact O-N 3Å; M1-F49 HydrophobicContact SD-CE1 4.42Å; M1-F49 HydrophobicContact SD-CZ 4.04Å
2S40.9Very low72.4Confident101 Ų10176.8 Ų76.871%0.70638%0.379SS*.  trans-54.9118173.843.20000107.7G4S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 2.91Å; S2-G4 VanDerWaalsContact O-N 3.08Å
3K52.7Low74.2Confident157 Ų15770.9 Ų70.968%0.68335%0.35SS*.  trans-68.4100.5161.8-61.5174.2178176.90103.4M1 E292M1-K3 PolarHBondContact O-N 3Å; K3-E292 VanDerWaalsContact CB-CD 3.45Å; K3-E292 WeakPolarHBondContact CB-OE1 3.35Å; K3-E292 WeakPolarHBondContact CB-OE2 3.26Å
4G59.7Low75.8Confident26 Ų2674.3 Ų74.327%0.26836%0.357SS..  trans-138.1142.7-177.200000107.3S2 I6 Q46 E292S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 2.91Å; S2-G4 VanDerWaalsContact O-N 3.08Å; G4-I6 WeakPolarHBondContact O-CG1 3.46Å; G4-I6 PolarHBondContact O-N 3.42Å; G4-Q46 PolarHBondContact O-OE1 3.35Å; G4-Q46 VanDerWaalsContact O-OE1 3.04Å; G4-E292 PolarHBondContact N-OE2 3.24Å
5F67.1Low77.2Confident39 Ų3969.3 Ų69.317%0.17133%0.333CS..  trans-54.7125.3-179.3-176.2-90.9000111.3D7 L147 E246 L289 K293F5-D7 HydrophobicContact CE1-CB 4.41Å; F5-L147 HydrophobicContact CE1-CD2 4.38Å; F5-L147 HydrophobicContact CZ-CD2 3.99Å; F5-E246 VanDerWaalsContact CE1-O 3.3Å; F5-E246 WeakPolarHBondContact CE1-O 3.33Å; F5-E246 HydrophobicContact CE2-CB 4.08Å; F5-E246 HydrophobicContact CE2-CG 4.4Å; F5-E246 HydrophobicContact CZ-CB 4.26Å; F5-E246 WeakPolarHBondContact CZ-O 3.38Å; F5-L289 HydrophobicContact CB-CD1 4.36Å; F5-L289 HydrophobicContact CD2-CD1 4.17Å; F5-L289 HydrophobicContact CD2-CD2 4.23Å; F5-L289 HydrophobicContact CD2-CG 4.1Å; F5-K293 HydrophobicContact CB-CG 3.91Å; F5-K293 VanDerWaalsContact CD1-CE 3.43Å; F5-K293 HydrophobicContact CG-CD 4.39Å; F5-K293 HydrophobicContact CG-CG 4.27Å
6I73.9Confident78.5Confident36 Ų3665 Ų6519%0.18531%0.312CS..  trans-99.3112.3-177.9-56.3179.9000109.3G4 K8 L9 L45 F49G4-I6 WeakPolarHBondContact O-CG1 3.46Å; G4-I6 PolarHBondContact O-N 3.42Å; I6-K8 WeakPolarHBondContact CG2-O 3.29Å; I6-L9 HydrophobicContact CG2-CB 4.15Å; I6-L45 HydrophobicContact CB-CB 4.24Å; I6-L45 HydrophobicContact CG2-CB 4.13Å; I6-F49 HydrophobicContact CD1-CB 4.04Å; I6-F49 HydrophobicContact CD1-CD1 3.76Å; I6-F49 HydrophobicContact CD1-CG 4.09Å
7D80Confident79.6Confident32 Ų3262.9 Ų62.917%0.17131%0.306CS..SBendtrans-88.5-32.817250.38.8000112.2F5 L45 L147 K376F5-D7 HydrophobicContact CE1-CB 4.41Å; D7-L45 VanDerWaalsContact O-CD1 3.31Å; D7-L45 WeakPolarHBondContact O-CD1 3.22Å; D7-L147 WeakPolarHBondContact O-CB 3.36Å; D7-L147 PolarHBondContact O-N 3.39Å; D7-K376 IonicContact OD2-NZ 2.71Å; D7-K376 PolarHBondContact OD2-NZ 3.48Å
8K86.5Confident80.5Confident112 Ų11260 Ų6049%0.48730%0.295SS..EExtended strand (participates in β ladder)trans-123.5128.5177-60.1-167.4-169.4-141.60112.6I6 L145 D146I6-K8 WeakPolarHBondContact CG2-O 3.29Å; K8-L145 WeakPolarHBondContact CA-O 3.39Å; K8-D146 WeakPolarHBondContact CE-OD1 3.42Å; K8-D146 WeakPolarHBondContact CE-OD2 3.45Å; K8-D146 WeakPolarHBondContact CG-OD1 3.4Å; K8-D146 IonicContact NZ-OD1 2.79Å; K8-D146 PolarHBondContact NZ-OD1 3.3Å; K8-D146 IonicContact NZ-OD2 3.15Å; K8-D146 PolarHBondContact NZ-OD2 2.84Å
9L89.5Confident81.3Confident5 Ų557.5 Ų57.53%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-129.2114.3177.2-17564.8000111.4I6 I11 L45 L48 F49 K55 L145I6-L9 HydrophobicContact CG2-CB 4.15Å; L9-I11 HydrophobicContact CD2-CG2 3.97Å; L9-I11 HydrophobicContact CG-CG2 3.85Å; L9-L45 HydrophobicContact CB-CB 4.42Å; L9-L45 HydrophobicContact CB-CD1 4.22Å; L9-L45 HydrophobicContact CB-CD2 4.35Å; L9-L45 HydrophobicContact CD2-CD2 4.49Å; L9-L48 HydrophobicContact CD2-CB 4.43Å; L9-L48 HydrophobicContact CD2-CD2 3.92Å; L9-L48 HydrophobicContact CD2-CG 4.18Å; L9-F49 HydrophobicContact CD1-CB 4.22Å; L9-F49 HydrophobicContact CD1-CD2 4.35Å; L9-F49 HydrophobicContact CD1-CG 4.48Å; L9-F49 HydrophobicContact CD2-CB 4.3Å; L9-K55 HydrophobicContact CD1-CD 4.21Å; L9-L145 HydrophobicContact CB-CB 4.5Å; L9-L145 PolarHBondContact N-O 3.33Å; L9-L145 PolarHBondContact O-N 3.48Å
10R91.5Very high81.9Confident129 Ų12956.7 Ų56.749%0.48729%0.287SS..EExtended strand (participates in β ladder)trans-83125.9169.8-172177.5-174.5-178.75.7110.4K55 G93 I143 V144R10-K55 WeakPolarHBondContact O-CD 3.5Å; R10-G93 PolarHBondContact NH2-O 3.42Å; R10-I143 WeakPolarHBondContact CA-O 3.43Å; R10-V144 HydrophobicContact CB-CG2 4.19Å; R10-V144 HydrophobicContact CG-CG2 4.09Å
11I94.2Very high82.3Confident2 Ų254.5 Ų54.51%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-127.7159175.165.3173.4000110.5L9 V13 K55 F57 I82 S142 I143 L145L9-I11 HydrophobicContact CD2-CG2 3.97Å; L9-I11 HydrophobicContact CG-CG2 3.85Å; I11-V13 HydrophobicContact CD1-CG1 4.1Å; I11-V13 HydrophobicContact CG1-CG1 4.32Å; I11-K55 CarbonylContact C-O 3.44Å; I11-K55 WeakPolarHBondContact CA-O 3.38Å; I11-K55 HydrophobicContact CG2-CB 4.22Å; I11-F57 HydrophobicContact CB-CD2 4.16Å; I11-F57 HydrophobicContact CB-CE2 4.04Å; I11-F57 HydrophobicContact CD1-CD2 3.93Å; I11-F57 HydrophobicContact CD1-CE2 3.94Å; I11-F57 HydrophobicContact CG2-CE2 3.95Å; I11-I82 HydrophobicContact CD1-CD1 4.25Å; I11-S142 CarbonylContact O-C 3.53Å; I11-S142 VanDerWaalsContact O-CA 3.29Å; I11-S142 WeakPolarHBondContact O-CA 3.49Å; I11-I143 HydrophobicContact CD1-CD1 4.04Å; I11-I143 HydrophobicContact CD1-CG1 4.12Å; I11-I143 HydrophobicContact CG1-CD1 4.03Å; I11-I143 HydrophobicContact CG1-CG1 3.53Å; I11-I143 PolarHBondContact N-O 3.04Å; I11-I143 PolarHBondContact O-N 3.23Å; I11-I143 VanDerWaalsContact O-O 3.13Å; I11-L145 HydrophobicContact CD1-CD1 4.02Å; I11-L145 HydrophobicContact CD1-CG 4.39Å
12F95.3Very high85Confident73 Ų7345.5 Ų45.532%0.3224%0.237SC..EExtended strand (participates in β ladder)trans-108.1126.7172.1-178.8-97000109.2R14 K55 R56 F57 A140 H141F12-R14 HydrophobicContact CE1-CB 4.03Å; F12-K55 PolarHBondContact N-O 3.08Å; F12-R56 HydrophobicContact CB-CG 4.2Å; F12-R56 HydrophobicContact CD1-CG 4.35Å; F12-R56 WeakPolarHBondContact O-CA 3.39Å; F12-F57 PolarHBondContact O-N 2.99Å; F12-A140 HydrophobicContact CZ-CB 3.92Å; F12-H141 WeakPolarHBondContact CD2-O 3.47Å
13V96Very high87.3Confident0 Ų044.2 Ų44.20%023%0.226CC..EExtended strand (participates in β ladder)trans-114.7136.2179.6-66.10000109.3I11 V35 F57 I82 V120 A121 A140 H141 I143I11-V13 HydrophobicContact CD1-CG1 4.1Å; I11-V13 HydrophobicContact CG1-CG1 4.32Å; V13-V35 HydrophobicContact CB-CG1 4.2Å; V13-V35 HydrophobicContact CG1-CG1 4.05Å; V13-F57 CarbonylContact C-O 3.56Å; V13-F57 WeakPolarHBondContact CA-O 3.4Å; V13-F57 HydrophobicContact CG1-CB 4.42Å; V13-I82 HydrophobicContact CG1-CD1 4.13Å; V13-V120 HydrophobicContact CG1-CG2 4.28Å; V13-V120 HydrophobicContact CG2-CG2 4.38Å; V13-A121 HydrophobicContact CB-CB 4.47Å; V13-A121 HydrophobicContact CG2-CB 4.11Å; V13-A140 WeakPolarHBondContact O-CA 3.3Å; V13-H141 WeakPolarHBondContact CG2-O 3.47Å; V13-H141 PolarHBondContact N-O 3.05Å; V13-H141 PolarHBondContact O-N 3.41Å; V13-I143 HydrophobicContact CG1-CD1 3.91Å; V13-I143 HydrophobicContact CG1-CG1 4.28Å; V13-I143 HydrophobicContact CG2-CD1 4.33Å; V13-I143 HydrophobicContact CG2-CG1 4.46Å; V13-I143 HydrophobicContact CG2-CG2 4.24Å
14R96.7Very high89.2Confident118 Ų11842.4 Ų42.445%0.44523%0.231SC..EExtended strand (participates in β ladder)trans-132.4118.8176.3178.2172.6-178.1176.91.1109.5F12 V35 F57 A58 A59 A140F12-R14 HydrophobicContact CE1-CB 4.03Å; R14-V35 WeakPolarHBondContact O-CG2 3.41Å; R14-F57 PolarHBondContact N-O 3.24Å; R14-A58 HydrophobicContact CB-CB 4.4Å; R14-A58 CarbonylContact O-C 3.47Å; R14-A58 VanDerWaalsContact O-CA 3.23Å; R14-A58 WeakPolarHBondContact O-CA 3.4Å; R14-A59 PolarHBondContact O-N 3.29Å; R14-A140 HydrophobicContact CB-CB 4.18Å; R14-A140 HydrophobicContact CG-CB 4.01Å
15A97Very high90.6Very high0 Ų042.9 Ų42.90%023%0.227CC..PPolyproline II helixtrans-76.5156.617000000111A121 Q122 Q139A15-A121 HydrophobicContact CB-CB 3.88Å; A15-Q122 WeakPolarHBondContact CB-O 3.42Å; A15-Q139 PolarHBondContact N-O 2.88Å
16G96.9Very high91.7Very high0 Ų049.4 Ų49.40%026%0.255CS..PPolyproline II helixtrans-64.3150.8173.400000111.6G32 G33 G60 G123 G124 G138G16-G32 WeakPolarHBondContact O-CA 3.36Å; G16-G33 PolarHBondContact N-O 3.11Å; G16-G60 VanDerWaalsContact CA-O 3.28Å; G16-G60 WeakPolarHBondContact CA-O 3.31Å; G16-G123 WeakPolarHBondContact O-CA 3.44Å; G16-G124 PolarHBondContact O-N 3.47Å; G16-G138 WeakPolarHBondContact O-CA 3.41Å
17S97.1Very high92.5Very high30 Ų3047.7 Ų47.721%0.2125%0.246CC..PPolyproline II helixtrans-90.1145.8172.9-480000110.2G32 H61 G62S17-G32 WeakPolarHBondContact O-CA 3.35Å; S17-H61 WeakPolarHBondContact CB-ND1 3.21Å; S17-H61 PolarHBondContact N-ND1 2.93Å; S17-H61 PolarHBondContact OG-ND1 2.99Å; S17-G62 PolarHBondContact O-N 3.15Å
18G95.9Very high93.2Very high10 Ų1051.1 Ų51.110%0.10326%0.256CS..PPolyproline II helixtrans-71.3139169.800000109.9G30 S136G18-G30 WeakPolarHBondContact CA-O 3.45Å; G18-S136 PolarHBondContact N-O 3.09Å
19A95.5Very high93.6Very high13 Ų1345.8 Ų45.811%0.10723%0.233CC..PPolyproline II helixtrans-83161.7179.800000112.1G30 G62 T63 E64 G127A19-G30 PolarHBondContact N-O 3.09Å; A19-G62 WeakPolarHBondContact CB-O 3.5Å; A19-T63 VanDerWaalsContact CB-O 3.23Å; A19-T63 WeakPolarHBondContact CB-O 3.26Å; A19-E64 HydrophobicContact CB-CG 4.01Å; A19-G127 PolarHBondContact O-N 3.32Å
20A93.3Very high93.9Very high40 Ų4045.5 Ų45.533%0.33123%0.232SC..PPolyproline II helixtrans-65.4143.4173.100000111.4G29 E64 Y133A20-G29 VanDerWaalsContact O-CA 3.3Å; A20-G29 WeakPolarHBondContact O-CA 3.22Å; A20-E64 HydrophobicContact CB-CG 4.42Å; A20-E64 WeakPolarHBondContact O-CA 3.5Å; A20-Y133 WeakPolarHBondContact CA-O 3.46Å
21G91.9Very high94.2Very high11 Ų1141.1 Ų41.111%0.11322%0.218CC..  trans-82.5175.7164.800000111.1G27 G127 Y133G21-G27 CarbonylContact C-O 3.56Å; G21-G27 VanDerWaalsContact CA-O 3.22Å; G21-G27 WeakPolarHBondContact CA-O 3.48Å; G21-G127 WeakPolarHBondContact CA-O 3.36Å; G21-Y133 PolarHBondContact N-O 3.45Å
22S92.7Very high94.3Very high21 Ų2141.4 Ų41.415%0.14722%0.221CC..BIsolated β-bridgetrans-120.4100.4-179.31700000110.3P24 I25 K26 G27 A65S22-P24 VanDerWaalsContact C-CD 3.43Å; S22-I25 PolarHBondContact O-N 3.04Å; S22-I25 WeakPolarHBondContact OG-CG1 3.3Å; S22-K26 PolarHBondContact O-N 3.12Å; S22-K26 VanDerWaalsContact O-N 3.12Å; S22-G27 PolarHBondContact N-O 3.43Å; S22-G27 PolarHBondContact O-N 3.12Å; S22-A65 WeakPolarHBondContact CB-O 2.91Å
23P91.1Very high94.5Very high74 Ų7437.9 Ų37.948%0.48121%0.206SC..G310 helixtrans-51.9-43.2178.2-18.624.2000114.4I25 K26 Y133P23-I25 PolarHBondContact O-N 3.21Å; P23-I25 VanDerWaalsContact O-N 3.12Å; P23-K26 PolarHBondContact O-N 2.88Å; P23-Y133 HydrophobicContact CB-CD2 3.88Å; P23-Y133 HydrophobicContact CB-CE2 3.92Å; P23-Y133 HydrophobicContact CB-CG 4.33Å; P23-Y133 HydrophobicContact CG-CD1 4.47Å; P23-Y133 HydrophobicContact CG-CD2 3.62Å; P23-Y133 HydrophobicContact CG-CE2 4.2Å; P23-Y133 HydrophobicContact CG-CG 3.77Å
24P91Very high94.6Very high120 Ų12038.8 Ų38.878%0.77921%0.212SC*.G310 helixtrans-60.8-25.1-177.6-2735.5000115.4S22S22-P24 VanDerWaalsContact C-CD 3.43Å
25I89.4Confident94.6Very high36 Ų3633.2 Ų33.219%0.18519%0.191CC..G310 helixtrans-112.78.2178.770.7-171.8000112.1S22 P23 G27 A65 K67S22-I25 PolarHBondContact O-N 3.04Å; S22-I25 WeakPolarHBondContact OG-CG1 3.3Å; P23-I25 PolarHBondContact O-N 3.21Å; P23-I25 VanDerWaalsContact O-N 3.12Å; I25-G27 PolarHBondContact O-N 2.86Å; I25-G27 VanDerWaalsContact O-N 3.15Å; I25-A65 HydrophobicContact CD1-CB 4.38Å; I25-K67 HydrophobicContact CD1-CB 4.32Å; I25-K67 HydrophobicContact CG2-CB 3.72Å; I25-K67 HydrophobicContact CG2-CD 3.79Å; I25-K67 HydrophobicContact CG2-CG 3.8Å
26K90.1Very high94.7Very high175 Ų17535.5 Ų35.576%0.76120%0.202SC*.THydrogen-bonded Turntrans4934.3-167.7-57.3-177.6179.4179.10112.8S22 P23 Y133S22-K26 PolarHBondContact O-N 3.12Å; S22-K26 VanDerWaalsContact O-N 3.12Å; P23-K26 PolarHBondContact O-N 2.88Å; K26-Y133 WeakPolarHBondContact CA-OH 3.41Å
27G92Very high94.7Very high0 Ų035.5 Ų35.50%020%0.202CC..BIsolated β-bridgetrans-83141.9-172.800000112.4G21 S22 I25 V72 Y133G21-G27 CarbonylContact C-O 3.56Å; G21-G27 VanDerWaalsContact CA-O 3.22Å; G21-G27 WeakPolarHBondContact CA-O 3.48Å; S22-G27 PolarHBondContact N-O 3.43Å; S22-G27 PolarHBondContact O-N 3.12Å; I25-G27 PolarHBondContact O-N 2.86Å; I25-G27 VanDerWaalsContact O-N 3.15Å; G27-V72 CarbonylContact C-O 3.42Å; G27-V72 VanDerWaalsContact C-O 3.27Å; G27-V72 WeakPolarHBondContact CA-O 3.35Å; G27-Y133 VanDerWaalsContact O-CD1 3.25Å; G27-Y133 WeakPolarHBondContact O-CD1 3.32Å; G27-Y133 WeakPolarHBondContact O-CE1 3.25Å
28R94.8Very high94.8Very high104 Ų10436 Ų3639%0.39220%0.2SC..BIsolated β-bridgetrans-95.8128.2178.1170.8168.7-177.9-171.91.6110.3N31 V72 V73 G74 G127 F128R28-N31 PolarHBondContact NH2-OD1 2.97Å; R28-V72 PolarHBondContact N-O 2.97Å; R28-V73 CarbonylContact O-C 3.51Å; R28-V73 WeakPolarHBondContact O-CA 3.38Å; R28-G74 PolarHBondContact O-N 2.83Å; R28-G127 CarbonylContact C-O 3.27Å; R28-G127 VanDerWaalsContact CA-O 3.25Å; R28-G127 WeakPolarHBondContact CA-O 3.44Å; R28-F128 HydrophobicContact CB-CB 4.16Å; R28-F128 HydrophobicContact CG-CB 3.97Å
29G94.6Very high94.7Very high0 Ų035.6 Ų35.60%020%0.196CC..PPolyproline II helixtrans-68.7149.1169.800000111.3A20 G126 G127A20-G29 VanDerWaalsContact O-CA 3.3Å; A20-G29 WeakPolarHBondContact O-CA 3.22Å; G29-G126 WeakPolarHBondContact O-CA 3.36Å; G29-G127 PolarHBondContact N-O 3.34Å
30G96Very high94.3Very high0 Ų035.6 Ų35.60%020%0.198CC..PPolyproline II helixtrans-69.5150.4176.100000112G18 A19 T63 G74 D76 G126G18-G30 WeakPolarHBondContact CA-O 3.45Å; A19-G30 PolarHBondContact N-O 3.09Å; G30-T63 PolarHBondContact N-O 2.77Å; G30-G74 WeakPolarHBondContact CA-O 3.4Å; G30-D76 WeakPolarHBondContact CA-OD1 3.25Å; G30-G126 WeakPolarHBondContact O-CA 3.41Å
31N97.1Very high93.7Very high36 Ų3640.2 Ų40.219%0.19321%0.212CC..PPolyproline II helixtrans-73154.7173.6-50.9-55.6000110.3R28 G62 D76 G77 G124 G126R28-N31 PolarHBondContact NH2-OD1 2.97Å; N31-G62 WeakPolarHBondContact O-CA 3.31Å; N31-G62 PolarHBondContact O-N 2.86Å; N31-D76 PolarHBondContact N-OD1 3.12Å; N31-D76 PolarHBondContact ND2-OD1 2.68Å; N31-D76 PolarHBondContact ND2-OD2 2.99Å; N31-D76 VanDerWaalsContact ND2-OD2 3.14Å; N31-D76 CarbonylContact O-C 3.54Å; N31-D76 WeakPolarHBondContact O-CA 3.31Å; N31-G77 PolarHBondContact O-N 3.15Å; N31-G124 CarbonylContact C-O 3.55Å; N31-G124 WeakPolarHBondContact CA-O 3.49Å; N31-G126 PolarHBondContact OD1-N 2.7Å
32G96.9Very high93.1Very high8 Ų846.1 Ų46.18%0.08224%0.241CC..PPolyproline II helixtrans-78.4147.6169.400000111.4G16 S17 G123 G124G16-G32 WeakPolarHBondContact O-CA 3.36Å; S17-G32 WeakPolarHBondContact O-CA 3.35Å; G32-G123 WeakPolarHBondContact O-CA 3.43Å; G32-G124 PolarHBondContact N-O 3.42Å
33G98Very high92.7Very high0 Ų046.6 Ų46.60%024%0.241CC..PPolyproline II helixtrans-67.8147.5174.300000111.7G16 A59 G60 G77 D79G16-G33 PolarHBondContact N-O 3.11Å; G33-A59 VanDerWaalsContact O-CB 3.27Å; G33-A59 WeakPolarHBondContact O-CB 3.38Å; G33-G60 PolarHBondContact N-O 3.01Å; G33-G77 VanDerWaalsContact CA-O 3.31Å; G33-G77 WeakPolarHBondContact CA-O 3.33Å; G33-G77 PolarHBondContact N-O 3.31Å; G33-D79 VanDerWaalsContact CA-OD1 3.26Å; G33-D79 WeakPolarHBondContact CA-OD1 3.48Å
34S98.3Very high92.4Very high19 Ų1944.3 Ų44.313%0.13323%0.226CC..PPolyproline II helixtrans-93159.8175.8-62.80000111.6D79 L80 A121 G123S34-D79 PolarHBondContact N-OD1 3.4Å; S34-D79 CarbonylContact O-C 3.57Å; S34-D79 WeakPolarHBondContact O-CA 3.43Å; S34-L80 PolarHBondContact O-N 3.41Å; S34-A121 CarbonylContact C-O 3.54Å; S34-A121 WeakPolarHBondContact CA-O 3.35Å; S34-A121 WeakPolarHBondContact CB-O 3.41Å; S34-G123 PolarHBondContact OG-N 2.93Å
35V98.2Very high92.2Very high0 Ų038.8 Ų38.80%019%0.19CC..EExtended strand (participates in β ladder)trans-105.8124.9172.8-172.90000109.2V13 R14 A59 L80 I82 V120 A121V13-V35 HydrophobicContact CB-CG1 4.2Å; V13-V35 HydrophobicContact CG1-CG1 4.05Å; R14-V35 WeakPolarHBondContact O-CG2 3.41Å; V35-A59 HydrophobicContact CG2-CB 3.88Å; V35-L80 CarbonylContact C-O 3.53Å; V35-L80 WeakPolarHBondContact CA-O 3.43Å; V35-L80 HydrophobicContact CG2-CB 4.48Å; V35-I82 HydrophobicContact CG1-CD1 3.71Å; V35-I82 HydrophobicContact CG1-CG1 4.32Å; V35-V120 HydrophobicContact CB-CG2 4.05Å; V35-V120 HydrophobicContact CG1-CG2 3.77Å; V35-V120 VanDerWaalsContact O-CG2 3.25Å; V35-V120 WeakPolarHBondContact O-CG2 3.4Å; V35-V120 PolarHBondContact O-N 3.36Å; V35-A121 HydrophobicContact CB-CB 4.02Å; V35-A121 HydrophobicContact CG2-CB 4.17Å; V35-A121 PolarHBondContact N-O 2.8Å; V35-A121 PolarHBondContact O-N 3.32Å
36F98.1Very high92Very high49 Ų4938 Ų3822%0.21519%0.186CC..EExtended strand (participates in β ladder)trans-115.4148.9175.6-61.1-90000110.5D79 L80 T81 I82 L118 L119F36-D79 HydrophobicContact CD2-CB 4.39Å; F36-D79 HydrophobicContact CE2-CB 4.2Å; F36-L80 PolarHBondContact N-O 2.94Å; F36-T81 WeakPolarHBondContact O-CA 3.43Å; F36-I82 PolarHBondContact O-N 3.15Å; F36-L118 CarbonylContact C-O 3.53Å; F36-L118 VanDerWaalsContact CA-O 3.3Å; F36-L118 WeakPolarHBondContact CA-O 3.47Å; F36-L119 HydrophobicContact CD1-CB 3.98Å; F36-L119 HydrophobicContact CD1-CD1 4.04Å; F36-L119 HydrophobicContact CE1-CB 3.8Å; F36-L119 HydrophobicContact CE1-CD1 3.6Å; F36-L119 HydrophobicContact CE1-CG 4.25Å; F36-L119 HydrophobicContact CE2-CD1 4.36Å; F36-L119 HydrophobicContact CZ-CD1 3.79Å
37L97.9Very high91.8Very high0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-100.6139.6160.8-65.6171.6000108.7I82 V84 V90 L111 K117 L118 V120 I143 L145L37-I82 WeakPolarHBondContact CA-O 3.13Å; L37-I82 HydrophobicContact CD2-CB 3.83Å; L37-I82 HydrophobicContact CD2-CD1 4.25Å; L37-I82 HydrophobicContact CD2-CG2 4.11Å; L37-V84 HydrophobicContact CB-CG2 4.34Å; L37-V84 HydrophobicContact CD2-CG1 3.78Å; L37-V90 HydrophobicContact CD1-CB 4.35Å; L37-V90 HydrophobicContact CD1-CG1 3.89Å; L37-V90 HydrophobicContact CD1-CG2 3.49Å; L37-V90 VanDerWaalsContact CD1-CG2 3.49Å; L37-L111 HydrophobicContact CB-CD1 3.51Å; L37-L111 HydrophobicContact CD1-CD1 4.24Å; L37-K117 CarbonylContact O-C 3.58Å; L37-K117 VanDerWaalsContact O-CA 3.25Å; L37-K117 WeakPolarHBondContact O-CA 3.47Å; L37-L118 PolarHBondContact N-O 3.27Å; L37-L118 PolarHBondContact O-N 2.93Å; L37-V120 HydrophobicContact CB-CG1 4.48Å; L37-V120 HydrophobicContact CD1-CG1 3.49Å; L37-V120 VanDerWaalsContact CD1-CG1 3.49Å; L37-V120 HydrophobicContact CG-CG1 3.75Å; L37-V120 HydrophobicContact CG-CG2 4.12Å; L37-I143 HydrophobicContact CD1-CD1 3.99Å; L37-L145 HydrophobicContact CD1-CD2 3.57Å; L37-L145 HydrophobicContact CD2-CD2 4.24Å
38E97.2Very high91.7Very high40 Ų4035.2 Ų35.219%0.18717%0.174CC..EExtended strand (participates in β ladder)trans-126.7129.7175.5-176.4175.5-175.700110.2G40 T81 I82 R83 V84 Q116 K117E38-G40 PolarHBondContact O-N 2.93Å; E38-T81 HydrophobicContact CB-CG2 3.52Å; E38-T81 WeakPolarHBondContact OE2-CG2 3.38Å; E38-I82 PolarHBondContact N-O 2.76Å; E38-R83 WeakPolarHBondContact O-CA 3.2Å; E38-V84 PolarHBondContact O-N 3.45Å; E38-Q116 WeakPolarHBondContact CA-O 3.49Å; E38-K117 HydrophobicContact CB-CG 4.07Å; E38-K117 VanDerWaalsContact CD-CE 3.4Å; E38-K117 HydrophobicContact CG-CG 3.94Å; E38-K117 VanDerWaalsContact OE2-CE 3.26Å; E38-K117 WeakPolarHBondContact OE2-CE 3.35Å; E38-K117 IonicContact OE2-NZ 3.31Å
39A93.9Very high91.3Very high1 Ų132.3 Ų32.31%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-72113.4174.900000110.6V84 A86 L111 K113 G115 Q116A39-V84 CarbonylContact C-O 3.57Å; A39-V84 WeakPolarHBondContact CA-O 3.43Å; A39-A86 HydrophobicContact CB-CB 4.26Å; A39-L111 HydrophobicContact CB-CB 4.3Å; A39-K113 WeakPolarHBondContact CB-O 3.2Å; A39-G115 PolarHBondContact O-N 2.93Å; A39-Q116 PolarHBondContact N-O 3.46Å
40G88.2Confident90.9Very high14 Ų1438.4 Ų38.414%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-101.9156.3177.500000113.4E38 V84E38-G40 PolarHBondContact O-N 2.93Å; G40-V84 PolarHBondContact N-O 3.14Å
41E80.5Confident90.6Very high136 Ų13641.7 Ų41.764%0.63622%0.222SC*.THydrogen-bonded Turntrans-77.7144.4164.4-65.5-169.9166.600110.5E43 V114E41-E43 PolarHBondContact O-N 3.2Å; E41-E43 VanDerWaalsContact O-N 3.1Å; E41-V114 HydrophobicContact CG-CB 4.34Å; E41-V114 HydrophobicContact CG-CG1 3.6Å; E41-V114 HydrophobicContact CG-CG2 3.79Å
42N78.4Confident90.2Very high136 Ų13642.8 Ų42.873%0.72723%0.228SC*.THydrogen-bonded Turntrans56.724.9177.6-47.7-40000114
43E85.8Confident89.7Confident30 Ų3046.7 Ų46.714%0.1425%0.251CS..  trans-92.7142.5170.7-62.7-60.7170.500110.1E41 K47 R83 P85E41-E43 PolarHBondContact O-N 3.2Å; E41-E43 VanDerWaalsContact O-N 3.1Å; E43-K47 IonicContact OE1-NZ 2.8Å; E43-K47 PolarHBondContact OE1-NZ 2.83Å; E43-K47 WeakPolarHBondContact OE2-CD 3.4Å; E43-K47 WeakPolarHBondContact OE2-CE 3.36Å; E43-K47 IonicContact OE2-NZ 2.74Å; E43-K47 PolarHBondContact OE2-NZ 3.15Å; E43-R83 HydrophobicContact CG-CB 4.08Å; E43-P85 VanDerWaalsContact O-CB 3.32Å; E43-P85 WeakPolarHBondContact O-CB 3.29Å
44T84.8Confident89.3Confident27 Ų2751.4 Ų51.417%0.16628%0.28CS..  trans-130.6152.6173.965.70000109.7Q46 K47 L48 L289T44-Q46 PolarHBondContact O-N 3.21Å; T44-K47 PolarHBondContact O-N 2.79Å; T44-K47 WeakPolarHBondContact OG1-CB 3.36Å; T44-K47 PolarHBondContact OG1-N 2.93Å; T44-K47 VanDerWaalsContact OG1-N 3.12Å; T44-L48 PolarHBondContact O-N 2.81Å; T44-L48 VanDerWaalsContact O-N 3.1Å; T44-L289 HydrophobicContact CG2-CD2 4.33Å
45L86.9Confident89Confident4 Ų454.1 Ų54.12%0.02129%0.29CS..Hα-helixtrans-63.3-29.6176.2-66.7-177.8000112I6 D7 L9 L48 F49 P85 I88 L145 L147I6-L45 HydrophobicContact CB-CB 4.24Å; I6-L45 HydrophobicContact CG2-CB 4.13Å; D7-L45 VanDerWaalsContact O-CD1 3.31Å; D7-L45 WeakPolarHBondContact O-CD1 3.22Å; L9-L45 HydrophobicContact CB-CB 4.42Å; L9-L45 HydrophobicContact CB-CD1 4.22Å; L9-L45 HydrophobicContact CB-CD2 4.35Å; L9-L45 HydrophobicContact CD2-CD2 4.49Å; L45-L48 PolarHBondContact O-N 2.88Å; L45-F49 WeakPolarHBondContact O-CB 3.29Å; L45-F49 PolarHBondContact O-N 2.9Å; L45-P85 HydrophobicContact CD2-CG 4.05Å; L45-P85 HydrophobicContact CG-CG 4.03Å; L45-I88 HydrophobicContact CD1-CD1 3.98Å; L45-I88 HydrophobicContact CD2-CD1 3.96Å; L45-I88 HydrophobicContact CG-CD1 4.2Å; L45-L145 HydrophobicContact CD2-CB 4.03Å; L45-L145 HydrophobicContact CD2-CD1 3.91Å; L45-L147 HydrophobicContact CD1-CB 4.28Å
46Q83.7Confident88.8Confident20 Ų2062.8 Ų62.89%0.09332%0.322CS..Hα-helixtrans-65.4-45.9173.7-175151.8-22.900112.1G4 T44 L48 F49 M50 L289 E292G4-Q46 PolarHBondContact O-OE1 3.35Å; G4-Q46 VanDerWaalsContact O-OE1 3.04Å; T44-Q46 PolarHBondContact O-N 3.21Å; Q46-L48 VanDerWaalsContact C-N 3.3Å; Q46-L48 PolarHBondContact O-N 3.29Å; Q46-F49 PolarHBondContact O-N 3.5Å; Q46-M50 HydrophobicContact CG-CG 4.38Å; Q46-M50 HydrophobicContact CG-SD 4.04Å; Q46-M50 WeakPolarHBondContact O-CB 3.23Å; Q46-M50 VanDerWaalsContact O-CG 3.3Å; Q46-M50 WeakPolarHBondContact O-CG 3.38Å; Q46-M50 PolarHBondContact O-N 3.21Å; Q46-L289 HydrophobicContact CB-CD2 4.38Å; Q46-L289 HydrophobicContact CG-CD1 4.43Å; Q46-E292 PolarHBondContact NE2-OE2 3.33Å
47K86.3Confident88.7Confident102 Ų10261.2 Ų61.244%0.44332%0.315SS..Hα-helixtrans-59.3-42.8175.4-176.5-178.7170.2-152.50111.2E43 T44 M50 A51E43-K47 IonicContact OE1-NZ 2.8Å; E43-K47 PolarHBondContact OE1-NZ 2.83Å; E43-K47 WeakPolarHBondContact OE2-CD 3.4Å; E43-K47 WeakPolarHBondContact OE2-CE 3.36Å; E43-K47 IonicContact OE2-NZ 2.74Å; E43-K47 PolarHBondContact OE2-NZ 3.15Å; T44-K47 PolarHBondContact O-N 2.79Å; T44-K47 WeakPolarHBondContact OG1-CB 3.36Å; T44-K47 PolarHBondContact OG1-N 2.93Å; T44-K47 VanDerWaalsContact OG1-N 3.12Å; K47-M50 PolarHBondContact O-N 3.22Å; K47-A51 WeakPolarHBondContact O-CB 3.48Å; K47-A51 PolarHBondContact O-N 3.33Å
48L89.6Confident88.6Confident14 Ų1464.4 Ų64.47%0.07334%0.342CS..Hα-helixtrans-61.2-44.7175.4-179.762.7000112.1L9 T44 L45 Q46 A51 N52 F57 I82 V84 L145L9-L48 HydrophobicContact CD2-CB 4.43Å; L9-L48 HydrophobicContact CD2-CD2 3.92Å; L9-L48 HydrophobicContact CD2-CG 4.18Å; T44-L48 PolarHBondContact O-N 2.81Å; T44-L48 VanDerWaalsContact O-N 3.1Å; L45-L48 PolarHBondContact O-N 2.88Å; Q46-L48 VanDerWaalsContact C-N 3.3Å; Q46-L48 PolarHBondContact O-N 3.29Å; L48-A51 PolarHBondContact O-N 2.76Å; L48-N52 PolarHBondContact O-N 2.83Å; L48-F57 HydrophobicContact CD1-CE1 4.14Å; L48-F57 HydrophobicContact CD1-CZ 3.7Å; L48-F57 HydrophobicContact CG-CZ 4.29Å; L48-I82 HydrophobicContact CD1-CG2 3.65Å; L48-I82 HydrophobicContact CD2-CG2 4.11Å; L48-V84 HydrophobicContact CD2-CG1 4.02Å; L48-L145 HydrophobicContact CD2-CD1 3.81Å
49F87.7Confident88.6Confident42 Ų4262.8 Ų62.818%0.18434%0.335CS..Hα-helixtrans-65.2-42.2177.8173.4-120.3000112.5M1 I6 L9 L45 Q46 N52 P53 K55M1-F49 HydrophobicContact SD-CE1 4.42Å; M1-F49 HydrophobicContact SD-CZ 4.04Å; I6-F49 HydrophobicContact CD1-CB 4.04Å; I6-F49 HydrophobicContact CD1-CD1 3.76Å; I6-F49 HydrophobicContact CD1-CG 4.09Å; L9-F49 HydrophobicContact CD1-CB 4.22Å; L9-F49 HydrophobicContact CD1-CD2 4.35Å; L9-F49 HydrophobicContact CD1-CG 4.48Å; L9-F49 HydrophobicContact CD2-CB 4.3Å; L45-F49 WeakPolarHBondContact O-CB 3.29Å; L45-F49 PolarHBondContact O-N 2.9Å; Q46-F49 PolarHBondContact O-N 3.5Å; F49-N52 CarbonylContact O-C 3.53Å; F49-N52 PolarHBondContact O-N 2.84Å; F49-P53 WeakPolarHBondContact O-CA 3.16Å; F49-P53 VanDerWaalsContact O-N 3.16Å; F49-K55 HydrophobicContact CD2-CD 4.31Å; F49-K55 HydrophobicContact CD2-CG 4.07Å; F49-K55 HydrophobicContact CE2-CD 4.3Å; F49-K55 HydrophobicContact CE2-CG 4.25Å
50M86.4Confident88.7Confident128 Ų12864 Ų6463%0.63135%0.348SS*.Hα-helixtrans-65.6-40177.8-72179.568.500112Q46 K47 N52Q46-M50 HydrophobicContact CG-CG 4.38Å; Q46-M50 HydrophobicContact CG-SD 4.04Å; Q46-M50 WeakPolarHBondContact O-CB 3.23Å; Q46-M50 VanDerWaalsContact O-CG 3.3Å; Q46-M50 WeakPolarHBondContact O-CG 3.38Å; Q46-M50 PolarHBondContact O-N 3.21Å; K47-M50 PolarHBondContact O-N 3.22Å; M50-N52 VanDerWaalsContact C-N 3.34Å
51A88Confident89.2Confident70 Ų7068 Ų6858%0.57936%0.363SS*.Hα-helixtrans-70.9-29.8177.100000112.6K47 L48K47-A51 WeakPolarHBondContact O-CB 3.48Å; K47-A51 PolarHBondContact O-N 3.33Å; L48-A51 PolarHBondContact O-N 2.76Å
52N89Confident89.8Confident59 Ų5962.1 Ų62.132%0.31634%0.339SS..  trans-133.374.8-179.4-69.2-79.1000112.1L48 F49 M50 T54 K55 F57L48-N52 PolarHBondContact O-N 2.83Å; F49-N52 CarbonylContact O-C 3.53Å; F49-N52 PolarHBondContact O-N 2.84Å; M50-N52 VanDerWaalsContact C-N 3.34Å; N52-T54 PolarHBondContact O-N 2.78Å; N52-T54 VanDerWaalsContact O-N 3.14Å; N52-K55 PolarHBondContact O-N 3.27Å; N52-F57 HydrophobicContact CB-CE1 3.91Å; N52-F57 HydrophobicContact CB-CE2 4.37Å; N52-F57 HydrophobicContact CB-CZ 3.55Å; N52-F57 WeakPolarHBondContact ND2-CE1 3.28Å
53P86Confident90.6Very high90 Ų9058 Ų5858%0.58432%0.319SS*.THydrogen-bonded Turntrans-62.4-25.4-176.4-23.834.5000114F49 K55F49-P53 WeakPolarHBondContact O-CA 3.16Å; F49-P53 VanDerWaalsContact O-N 3.16Å; P53-K55 PolarHBondContact O-N 2.7Å
54T89.5Confident90.9Very high98 Ų9862.6 Ų62.660%0.60134%0.34SS*.THydrogen-bonded Turntrans-68.5-18.9176.363.10000112.8N52 R56N52-T54 PolarHBondContact O-N 2.78Å; N52-T54 VanDerWaalsContact O-N 3.14Å; T54-R56 PolarHBondContact O-N 3.22Å; T54-R56 VanDerWaalsContact O-N 3.15Å; T54-R56 PolarHBondContact OG1-N 2.96Å
55K92.1Very high90.8Very high77 Ų7761.6 Ų61.634%0.33534%0.335SS..  trans54.925.8-175.2-53.4179.5-174.4-176.80112.9L9 R10 I11 F12 F49 N52 P53L9-K55 HydrophobicContact CD1-CD 4.21Å; R10-K55 WeakPolarHBondContact O-CD 3.5Å; I11-K55 CarbonylContact C-O 3.44Å; I11-K55 WeakPolarHBondContact CA-O 3.38Å; I11-K55 HydrophobicContact CG2-CB 4.22Å; F12-K55 PolarHBondContact N-O 3.08Å; F49-K55 HydrophobicContact CD2-CD 4.31Å; F49-K55 HydrophobicContact CD2-CG 4.07Å; F49-K55 HydrophobicContact CE2-CD 4.3Å; F49-K55 HydrophobicContact CE2-CG 4.25Å; N52-K55 PolarHBondContact O-N 3.27Å; P53-K55 PolarHBondContact O-N 2.7Å
56R94.6Very high90.7Very high181 Ų18162.9 Ų62.968%0.68334%0.344SS*.EExtended strand (participates in β ladder)trans-118.8127.6-177.6-74.9177.7174.3-171.1-2.4109.7F12 T54F12-R56 HydrophobicContact CB-CG 4.2Å; F12-R56 HydrophobicContact CD1-CG 4.35Å; F12-R56 WeakPolarHBondContact O-CA 3.39Å; T54-R56 PolarHBondContact O-N 3.22Å; T54-R56 VanDerWaalsContact O-N 3.15Å; T54-R56 PolarHBondContact OG1-N 2.96Å
57F96.5Very high90.4Very high16 Ų1670 Ų707%0.0737%0.374CS..EExtended strand (participates in β ladder)trans-127.5127-177.9-64.9-88.4000108.7I11 F12 V13 R14 L48 N52 L80 I82I11-F57 HydrophobicContact CB-CD2 4.16Å; I11-F57 HydrophobicContact CB-CE2 4.04Å; I11-F57 HydrophobicContact CD1-CD2 3.93Å; I11-F57 HydrophobicContact CD1-CE2 3.94Å; I11-F57 HydrophobicContact CG2-CE2 3.95Å; F12-F57 PolarHBondContact O-N 2.99Å; V13-F57 CarbonylContact C-O 3.56Å; V13-F57 WeakPolarHBondContact CA-O 3.4Å; V13-F57 HydrophobicContact CG1-CB 4.42Å; R14-F57 PolarHBondContact N-O 3.24Å; L48-F57 HydrophobicContact CD1-CE1 4.14Å; L48-F57 HydrophobicContact CD1-CZ 3.7Å; L48-F57 HydrophobicContact CG-CZ 4.29Å; N52-F57 HydrophobicContact CB-CE1 3.91Å; N52-F57 HydrophobicContact CB-CE2 4.37Å; N52-F57 HydrophobicContact CB-CZ 3.55Å; N52-F57 WeakPolarHBondContact ND2-CE1 3.28Å; F57-L80 HydrophobicContact CB-CD2 3.7Å; F57-L80 HydrophobicContact CD1-CD2 4.29Å; F57-I82 HydrophobicContact CB-CD1 3.51Å; F57-I82 HydrophobicContact CB-CG1 4.3Å; F57-I82 HydrophobicContact CD1-CD1 3.61Å; F57-I82 HydrophobicContact CD1-CG1 3.67Å; F57-I82 HydrophobicContact CD1-CG2 4.41Å; F57-I82 HydrophobicContact CD2-CD1 3.88Å; F57-I82 HydrophobicContact CE1-CD1 4.26Å; F57-I82 HydrophobicContact CE1-CG1 4.15Å; F57-I82 HydrophobicContact CE1-CG2 4.04Å; F57-I82 HydrophobicContact CG-CD1 3.38Å; F57-I82 HydrophobicContact CG-CG1 4.01Å; F57-I82 HydrophobicContact CZ-CG2 4.25Å
58A96.1Very high90.1Very high67 Ų6777 Ų7755%0.55440%0.398SS*.EExtended strand (participates in β ladder)trans-131.3126.8-177.200000110.9R14R14-A58 HydrophobicContact CB-CB 4.4Å; R14-A58 CarbonylContact O-C 3.47Å; R14-A58 VanDerWaalsContact O-CA 3.23Å; R14-A58 WeakPolarHBondContact O-CA 3.4Å
59A96.9Very high89.6Confident6 Ų685 Ų855%0.0543%0.428CS..PPolyproline II helixtrans-80.9162.317100000111.5R14 G33 V35 L80R14-A59 PolarHBondContact O-N 3.29Å; G33-A59 VanDerWaalsContact O-CB 3.27Å; G33-A59 WeakPolarHBondContact O-CB 3.38Å; V35-A59 HydrophobicContact CG2-CB 3.88Å; A59-L80 HydrophobicContact CB-CB 3.92Å
60G96.7Very high89.1Confident28 Ų2886 Ų8629%0.28945%0.45SS..PPolyproline II helixtrans-71.2144.3-176.100000113G16 G33 G77 Q78G16-G60 VanDerWaalsContact CA-O 3.28Å; G16-G60 WeakPolarHBondContact CA-O 3.31Å; G33-G60 PolarHBondContact N-O 3.01Å; G60-G77 WeakPolarHBondContact O-CA 3.26Å; G60-Q78 PolarHBondContact N-O 2.94Å
61H97Very high88.8Confident98 Ų9882.3 Ų82.345%0.45443%0.432SS..PPolyproline II helixtrans-77.7150.9172.8-63.2-84.5000111.2S17 G77S17-H61 WeakPolarHBondContact CB-ND1 3.21Å; S17-H61 PolarHBondContact N-ND1 2.93Å; S17-H61 PolarHBondContact OG-ND1 2.99Å; H61-G77 WeakPolarHBondContact O-CA 3.36Å
62G94.1Very high88.8Confident12 Ų1282.7 Ų82.712%0.12443%0.428CS..PPolyproline II helixtrans-66.3164.9168.200000111.5S17 A19 N31S17-G62 PolarHBondContact O-N 3.15Å; A19-G62 WeakPolarHBondContact CB-O 3.5Å; N31-G62 WeakPolarHBondContact O-CA 3.31Å; N31-G62 PolarHBondContact O-N 2.86Å
63T94.2Very high88.8Confident50 Ų5084.3 Ų84.331%0.30744%0.439SS..  trans-110.5150.7176.862.60000111.6A19 G30 G74 L75A19-T63 VanDerWaalsContact CB-O 3.23Å; A19-T63 WeakPolarHBondContact CB-O 3.26Å; G30-T63 PolarHBondContact N-O 2.77Å; T63-G74 VanDerWaalsContact O-CA 3.29Å; T63-G74 WeakPolarHBondContact O-CA 3.36Å; T63-L75 HydrophobicContact CG2-CB 4.48Å; T63-L75 PolarHBondContact N-O 3.09Å; T63-L75 WeakPolarHBondContact OG1-CA 3.23Å; T63-L75 WeakPolarHBondContact OG1-CB 3.27Å; T63-L75 PolarHBondContact OG1-N 3.03Å; T63-L75 PolarHBondContact OG1-O 3.49Å; T63-L75 VanDerWaalsContact OG1-O 3.09Å
64E92.2Very high89Confident125 Ų12580.1 Ų80.158%0.58441%0.413SS*.  trans-72.7150.5-178.3-63.7175178.200112.1A19 A20A19-E64 HydrophobicContact CB-CG 4.01Å; A20-E64 HydrophobicContact CB-CG 4.42Å; A20-E64 WeakPolarHBondContact O-CA 3.5Å
65A84.4Confident89.2Confident7 Ų780.6 Ų80.66%0.05841%0.411CS..  trans-70.5131.2165.200000109.7S22 I25 L71 V72S22-A65 WeakPolarHBondContact CB-O 2.91Å; I25-A65 HydrophobicContact CD1-CB 4.38Å; A65-L71 CarbonylContact C-O 3.5Å; A65-L71 VanDerWaalsContact CA-O 3.31Å; A65-L71 WeakPolarHBondContact CA-O 3.39Å; A65-V72 WeakPolarHBondContact CB-O 3.34Å
66S83.5Confident89.3Confident31 Ų3181.6 Ų81.622%0.21742%0.42CS..BIsolated β-bridgetrans-139.1122.1-175.1-177.20000112.2R68 R69 G70 L71S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 3.4Å; S66-R68 PolarHBondContact OG-N 2.87Å; S66-R69 PolarHBondContact O-N 2.95Å; S66-G70 PolarHBondContact O-N 2.77Å; S66-L71 PolarHBondContact N-O 2.9Å; S66-L71 PolarHBondContact O-N 2.75Å
67K78.5Confident89.3Confident168 Ų16873.5 Ų73.573%0.7339%0.393SS*.THydrogen-bonded Turntrans-60.2-40.6172.3-164.4176.7-178.7179.10111.7I25 R69 G70I25-K67 HydrophobicContact CD1-CB 4.32Å; I25-K67 HydrophobicContact CG2-CB 3.72Å; I25-K67 HydrophobicContact CG2-CD 3.79Å; I25-K67 HydrophobicContact CG2-CG 3.8Å; K67-R69 VanDerWaalsContact C-N 3.25Å; K67-R69 PolarHBondContact O-N 2.74Å; K67-G70 PolarHBondContact O-N 3Å; K67-G70 VanDerWaalsContact O-N 3.09Å
68R79.5Confident89.4Confident249 Ų24980.5 Ų80.594%0.9443%0.426SS*.THydrogen-bonded Turntrans-62.4-33.1-179.4-72.8-169.3-163.5177.85.7112.6S66S66-R68 VanDerWaalsContact C-N 3.3Å; S66-R68 PolarHBondContact O-N 3.4Å; S66-R68 PolarHBondContact OG-N 2.87Å
69R77.8Confident89.5Confident183 Ų18381.9 Ų81.969%0.69142%0.424SS*.THydrogen-bonded Turntrans-93.32.5178.2-60.6-175.6-176.9158.91.3113.1S66 K67 L71S66-R69 PolarHBondContact O-N 2.95Å; K67-R69 VanDerWaalsContact C-N 3.25Å; K67-R69 PolarHBondContact O-N 2.74Å; R69-L71 HydrophobicContact CB-CB 4.41Å; R69-L71 HydrophobicContact CB-CD1 3.75Å; R69-L71 HydrophobicContact CB-CG 4.26Å; R69-L71 PolarHBondContact O-N 3.42Å
70G78.2Confident89.5Confident64 Ų6484 Ų8466%0.6643%0.434SS*.THydrogen-bonded Turntrans63.717.3-173.100000114.2S66 K67 V72S66-G70 PolarHBondContact O-N 2.77Å; K67-G70 PolarHBondContact O-N 3Å; K67-G70 VanDerWaalsContact O-N 3.09Å; G70-V72 PolarHBondContact O-N 2.85Å
71L80.5Confident89.6Confident49 Ų4985.1 Ų85.126%0.25744%0.436SS..BIsolated β-bridgetrans-97.292.6-176.1-80.4158.4000109.7A65 S66 R69 V73 L75A65-L71 CarbonylContact C-O 3.5Å; A65-L71 VanDerWaalsContact CA-O 3.31Å; A65-L71 WeakPolarHBondContact CA-O 3.39Å; S66-L71 PolarHBondContact N-O 2.9Å; S66-L71 PolarHBondContact O-N 2.75Å; R69-L71 HydrophobicContact CB-CB 4.41Å; R69-L71 HydrophobicContact CB-CD1 3.75Å; R69-L71 HydrophobicContact CB-CG 4.26Å; R69-L71 PolarHBondContact O-N 3.42Å; L71-V73 VanDerWaalsContact C-N 3.29Å; L71-V73 WeakPolarHBondContact CD2-O 3.46Å; L71-L75 HydrophobicContact CD2-CD2 4.45Å
72V87.6Confident89.6Confident79 Ų7980.7 Ų80.748%0.47942%0.415SS..SBendtrans-72.3-29.3171.8-176.60000110.6G27 R28 A65 G70G27-V72 CarbonylContact C-O 3.42Å; G27-V72 VanDerWaalsContact C-O 3.27Å; G27-V72 WeakPolarHBondContact CA-O 3.35Å; R28-V72 PolarHBondContact N-O 2.97Å; A65-V72 WeakPolarHBondContact CB-O 3.34Å; G70-V72 PolarHBondContact O-N 2.85Å
73V89.8Confident89.6Confident92 Ų9287.2 Ų87.256%0.55844%0.436SS*.BIsolated β-bridgetrans-116.3119.9172.9-174.30000108.1R28 L71R28-V73 CarbonylContact O-C 3.51Å; R28-V73 WeakPolarHBondContact O-CA 3.38Å; L71-V73 VanDerWaalsContact C-N 3.29Å; L71-V73 WeakPolarHBondContact CD2-O 3.46Å
74G88.8Confident89.6Confident3 Ų384.9 Ų84.93%0.03142%0.422CS..PPolyproline II helixtrans-65.8145.7173.100000111R28 G30 T63R28-G74 PolarHBondContact O-N 2.83Å; G30-G74 WeakPolarHBondContact CA-O 3.4Å; T63-G74 VanDerWaalsContact O-CA 3.29Å; T63-G74 WeakPolarHBondContact O-CA 3.36Å
75L93.9Very high89.5Confident108 Ų10879.5 Ų79.557%0.56540%0.397SS*.PPolyproline II helixtrans-70.8137.6176-54.4175.4000110.5T63 L71T63-L75 HydrophobicContact CG2-CB 4.48Å; T63-L75 PolarHBondContact N-O 3.09Å; T63-L75 WeakPolarHBondContact OG1-CA 3.23Å; T63-L75 WeakPolarHBondContact OG1-CB 3.27Å; T63-L75 PolarHBondContact OG1-N 3.03Å; T63-L75 PolarHBondContact OG1-O 3.49Å; T63-L75 VanDerWaalsContact OG1-O 3.09Å; L71-L75 HydrophobicContact CD2-CD2 4.45Å
76D95.4Very high89.7Confident97 Ų9779.6 Ų79.652%0.51940%0.399SS..PPolyproline II helixtrans-69.2145.2174.1-72-6.3000110.9G30 N31G30-D76 WeakPolarHBondContact CA-OD1 3.25Å; N31-D76 PolarHBondContact N-OD1 3.12Å; N31-D76 PolarHBondContact ND2-OD1 2.68Å; N31-D76 PolarHBondContact ND2-OD2 2.99Å; N31-D76 VanDerWaalsContact ND2-OD2 3.14Å; N31-D76 CarbonylContact O-C 3.54Å; N31-D76 WeakPolarHBondContact O-CA 3.31Å
77G94.8Very high89.9Confident11 Ų1178.1 Ų78.111%0.11339%0.388CS..PPolyproline II helixtrans-69.3145.517500000111.2N31 G33 G60 H61 D79N31-G77 PolarHBondContact O-N 3.15Å; G33-G77 VanDerWaalsContact CA-O 3.31Å; G33-G77 WeakPolarHBondContact CA-O 3.33Å; G33-G77 PolarHBondContact N-O 3.31Å; G60-G77 WeakPolarHBondContact O-CA 3.26Å; H61-G77 WeakPolarHBondContact O-CA 3.36Å; G77-D79 PolarHBondContact O-N 2.94Å
78Q97.5Very high90.5Very high164 Ų16470.1 Ų70.177%0.76635%0.353SS*.PPolyproline II helixtrans-70.7129.4-179.1-65.3178.119.100111.2G60G60-Q78 PolarHBondContact N-O 2.94Å
79D98Very high91.1Very high95 Ų9559.3 Ų59.351%0.50832%0.315SS..PPolyproline II helixtrans-63146.6170.9-70.9-17.2000110.9G33 S34 F36 G77G33-D79 VanDerWaalsContact CA-OD1 3.26Å; G33-D79 WeakPolarHBondContact CA-OD1 3.48Å; S34-D79 PolarHBondContact N-OD1 3.4Å; S34-D79 CarbonylContact O-C 3.57Å; S34-D79 WeakPolarHBondContact O-CA 3.43Å; F36-D79 HydrophobicContact CD2-CB 4.39Å; F36-D79 HydrophobicContact CE2-CB 4.2Å; G77-D79 PolarHBondContact O-N 2.94Å
80L97.7Very high91.9Very high50 Ų5050.6 Ų50.626%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-109.3123.8173.6179.364000109.6S34 V35 F36 F57 A59 I82S34-L80 PolarHBondContact O-N 3.41Å; V35-L80 CarbonylContact C-O 3.53Å; V35-L80 WeakPolarHBondContact CA-O 3.43Å; V35-L80 HydrophobicContact CG2-CB 4.48Å; F36-L80 PolarHBondContact N-O 2.94Å; F57-L80 HydrophobicContact CB-CD2 3.7Å; F57-L80 HydrophobicContact CD1-CD2 4.29Å; A59-L80 HydrophobicContact CB-CB 3.92Å; L80-I82 HydrophobicContact CD2-CG1 4.35Å; L80-I82 HydrophobicContact CG-CG1 4.24Å
81T97.5Very high92.5Very high53 Ų5348 Ų4833%0.32525%0.253SS..EExtended strand (participates in β ladder)trans-110.3121.3172.4-58.80000110.1F36 E38F36-T81 WeakPolarHBondContact O-CA 3.43Å; E38-T81 HydrophobicContact CB-CG2 3.52Å; E38-T81 WeakPolarHBondContact OE2-CG2 3.38Å
82I96.8Very high93Very high5 Ų549.4 Ų49.43%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-102.3118.5179.7-53.4164.7000108.1I11 V13 V35 F36 L37 E38 L48 F57 L80 V84I11-I82 HydrophobicContact CD1-CD1 4.25Å; V13-I82 HydrophobicContact CG1-CD1 4.13Å; V35-I82 HydrophobicContact CG1-CD1 3.71Å; V35-I82 HydrophobicContact CG1-CG1 4.32Å; F36-I82 PolarHBondContact O-N 3.15Å; L37-I82 WeakPolarHBondContact CA-O 3.13Å; L37-I82 HydrophobicContact CD2-CB 3.83Å; L37-I82 HydrophobicContact CD2-CD1 4.25Å; L37-I82 HydrophobicContact CD2-CG2 4.11Å; E38-I82 PolarHBondContact N-O 2.76Å; L48-I82 HydrophobicContact CD1-CG2 3.65Å; L48-I82 HydrophobicContact CD2-CG2 4.11Å; F57-I82 HydrophobicContact CB-CD1 3.51Å; F57-I82 HydrophobicContact CB-CG1 4.3Å; F57-I82 HydrophobicContact CD1-CD1 3.61Å; F57-I82 HydrophobicContact CD1-CG1 3.67Å; F57-I82 HydrophobicContact CD1-CG2 4.41Å; F57-I82 HydrophobicContact CD2-CD1 3.88Å; F57-I82 HydrophobicContact CE1-CD1 4.26Å; F57-I82 HydrophobicContact CE1-CG1 4.15Å; F57-I82 HydrophobicContact CE1-CG2 4.04Å; F57-I82 HydrophobicContact CG-CD1 3.38Å; F57-I82 HydrophobicContact CG-CG1 4.01Å; F57-I82 HydrophobicContact CZ-CG2 4.25Å; L80-I82 HydrophobicContact CD2-CG1 4.35Å; L80-I82 HydrophobicContact CG-CG1 4.24Å; I82-V84 HydrophobicContact CG2-CG1 4.45Å
83R95.7Very high92.3Very high148 Ų14846.1 Ų46.156%0.55824%0.24SC*.EExtended strand (participates in β ladder)trans-78.1131.9177.4-67.8-171.6175.2173.30.5111.2E38 E43E38-R83 WeakPolarHBondContact O-CA 3.2Å; E43-R83 HydrophobicContact CG-CB 4.08Å
84V93.9Very high90.7Very high1 Ų142.8 Ų42.81%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-133.6157.4-179.9-65.20000110.4L37 E38 A39 G40 L48 I82 L111 L145L37-V84 HydrophobicContact CB-CG2 4.34Å; L37-V84 HydrophobicContact CD2-CG1 3.78Å; E38-V84 PolarHBondContact O-N 3.45Å; A39-V84 CarbonylContact C-O 3.57Å; A39-V84 WeakPolarHBondContact CA-O 3.43Å; G40-V84 PolarHBondContact N-O 3.14Å; L48-V84 HydrophobicContact CD2-CG1 4.02Å; I82-V84 HydrophobicContact CG2-CG1 4.45Å; V84-L111 HydrophobicContact CG2-CD1 3.54Å; V84-L145 HydrophobicContact CG1-CD1 3.74Å
85P89.1Confident88.6Confident12 Ų1252 Ų528%0.07827%0.266CS..EExtended strand (participates in β ladder)trans-56.9149.3170.515.7-26.4000112.3E43 L45 I88 L147E43-P85 VanDerWaalsContact O-CB 3.32Å; E43-P85 WeakPolarHBondContact O-CB 3.29Å; L45-P85 HydrophobicContact CD2-CG 4.05Å; L45-P85 HydrophobicContact CG-CG 4.03Å; P85-I88 HydrophobicContact CB-CG1 4.47Å; P85-I88 HydrophobicContact CG-CD1 3.98Å; P85-I88 HydrophobicContact CG-CG1 3.9Å; P85-I88 WeakPolarHBondContact O-CG1 3.31Å; P85-L147 HydrophobicContact CB-CD1 4.2Å; P85-L147 HydrophobicContact CG-CD1 4.21Å
86A88.6Confident85.8Confident10 Ų1050.3 Ų50.38%0.08328%0.275CS..SBendtrans-68.5149.5165.500000111.5A39 L111 V114 F182 R247A39-A86 HydrophobicContact CB-CB 4.26Å; A86-L111 CarbonylContact C-O 3.59Å; A86-V114 HydrophobicContact CB-CG2 4.37Å; A86-F182 HydrophobicContact CB-CB 4.32Å; A86-R247 PolarHBondContact O-NH2 2.77Å
87G87.4Confident82.8Confident0 Ų050.8 Ų50.80%028%0.281CS..SBendtrans85.527.8-173.800000113.8L111 K148G87-L111 PolarHBondContact N-O 2.89Å; G87-K148 VanDerWaalsContact O-CB 3.27Å; G87-K148 WeakPolarHBondContact O-CB 3.25Å; G87-K148 VanDerWaalsContact O-CG 3.31Å; G87-K148 WeakPolarHBondContact O-CG 3.3Å; G87-K148 PolarHBondContact O-N 2.74Å
88I91.3Very high79.9Confident0 Ų056 Ų560%032%0.316CS..EExtended strand (participates in β ladder)trans-94.8129.5176.9-69.4-78.7000110L45 P85 V90 L111 L145 D146 L147L45-I88 HydrophobicContact CD1-CD1 3.98Å; L45-I88 HydrophobicContact CD2-CD1 3.96Å; L45-I88 HydrophobicContact CG-CD1 4.2Å; P85-I88 HydrophobicContact CB-CG1 4.47Å; P85-I88 HydrophobicContact CG-CD1 3.98Å; P85-I88 HydrophobicContact CG-CG1 3.9Å; P85-I88 WeakPolarHBondContact O-CG1 3.31Å; I88-V90 HydrophobicContact CG2-CG2 3.85Å; I88-L111 PolarHBondContact N-O 2.88Å; I88-L111 PolarHBondContact O-N 2.97Å; I88-L145 HydrophobicContact CD1-CB 4.36Å; I88-L145 HydrophobicContact CG2-CB 4.05Å; I88-L145 HydrophobicContact CG2-CD2 4.21Å; I88-D146 WeakPolarHBondContact CA-O 3.41Å; I88-L147 HydrophobicContact CD1-CB 3.81Å; I88-L147 HydrophobicContact CD1-CD1 3.82Å; I88-L147 HydrophobicContact CD1-CG 4.44Å; I88-L147 HydrophobicContact CG1-CD1 4.17Å
89T91.9Very high77Confident21 Ų2151.4 Ų51.413%0.12930%0.302CS..EExtended strand (participates in β ladder)trans-89.3127.2160.6-52.10000108.2L91 I107 N110 D146 K148T89-L91 HydrophobicContact CG2-CD2 3.68Å; T89-L91 HydrophobicContact CG2-CG 4.27Å; T89-I107 HydrophobicContact CG2-CG1 4.23Å; T89-I107 HydrophobicContact CG2-CG2 3.96Å; T89-N110 PolarHBondContact OG1-OD1 2.81Å; T89-D146 PolarHBondContact N-O 2.96Å; T89-D146 PolarHBondContact O-N 3.49Å; T89-K148 WeakPolarHBondContact OG1-CE 3.33Å
90V94.5Very high74.4Confident0 Ų051.6 Ų51.60%032%0.317CS..EExtended strand (participates in β ladder)trans-101.1119.3179-173.80000108.5L37 I88 L108 G109 L111 L118 V120 I143 L145L37-V90 HydrophobicContact CD1-CB 4.35Å; L37-V90 HydrophobicContact CD1-CG1 3.89Å; L37-V90 HydrophobicContact CD1-CG2 3.49Å; L37-V90 VanDerWaalsContact CD1-CG2 3.49Å; I88-V90 HydrophobicContact CG2-CG2 3.85Å; V90-L108 HydrophobicContact CB-CB 4.4Å; V90-L108 HydrophobicContact CG1-CB 4.21Å; V90-L108 HydrophobicContact CG1-CD1 4.11Å; V90-L108 PolarHBondContact O-N 3.44Å; V90-G109 PolarHBondContact N-O 3.5Å; V90-L111 HydrophobicContact CG2-CD1 4.39Å; V90-L118 HydrophobicContact CB-CD2 3.92Å; V90-L118 HydrophobicContact CG1-CD2 4.48Å; V90-L118 HydrophobicContact CG2-CD2 3.74Å; V90-V120 HydrophobicContact CG1-CG1 4.11Å; V90-I143 HydrophobicContact CG1-CB 4.21Å; V90-I143 HydrophobicContact CG1-CD1 4.02Å; V90-L145 HydrophobicContact CG1-CD2 4.31Å; V90-L145 HydrophobicContact CG2-CD2 4.16Å
91L92.5Very high71.5Confident11 Ų1155.8 Ų55.86%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-111.8144.5-175.8-53171.1000110.1T89 G93 Q105 I107 I143 V144 D146T89-L91 HydrophobicContact CG2-CD2 3.68Å; T89-L91 HydrophobicContact CG2-CG 4.27Å; L91-G93 PolarHBondContact O-N 3.14Å; L91-Q105 HydrophobicContact CD2-CB 4.47Å; L91-I107 HydrophobicContact CD2-CB 4.32Å; L91-I107 HydrophobicContact CD2-CG1 3.58Å; L91-I143 CarbonylContact O-C 3.52Å; L91-I143 VanDerWaalsContact O-CA 3.23Å; L91-I143 WeakPolarHBondContact O-CA 2.93Å; L91-I143 WeakPolarHBondContact O-CB 3.45Å; L91-V144 HydrophobicContact CB-CB 4.23Å; L91-V144 PolarHBondContact N-O 2.92Å; L91-V144 PolarHBondContact O-N 3.45Å; L91-D146 HydrophobicContact CD1-CB 4.05Å
92F89.4Confident68.8Low78 Ų7857.2 Ų57.234%0.34236%0.364SS..EExtended strand (participates in β ladder)trans-73.4120.8172.8-165.3-97.2000110G94 R106 L108 H141F92-G94 PolarHBondContact O-N 3.23Å; F92-R106 HydrophobicContact CB-CB 4.2Å; F92-R106 PolarHBondContact N-O 2.9Å; F92-L108 HydrophobicContact CB-CD2 4.43Å; F92-L108 HydrophobicContact CB-CG 4.34Å; F92-L108 HydrophobicContact CD2-CD1 4.31Å; F92-L108 HydrophobicContact CD2-CD2 4.15Å; F92-H141 AromaticContact CD2-CD2 3.58Å; F92-H141 AromaticContact CD2-NE2 3.92Å; F92-H141 HydrophobicContact CE2-CB 3.81Å; F92-H141 AromaticContact CE2-CD2 3.2Å; F92-H141 WeakPolarHBondContact CE2-CD2 3.35Å; F92-H141 AromaticContact CE2-CG 3.42Å; F92-H141 VanDerWaalsContact CE2-CG 3.42Å; F92-H141 AromaticContact CE2-ND1 3.99Å; F92-H141 AromaticContact CE2-NE2 3.67Å; F92-H141 HydrophobicContact CZ-CB 3.84Å; F92-H141 AromaticContact CZ-CG 3.99Å
93G73.7Confident66.4Low10 Ų1060.6 Ų60.610%0.10339%0.388CS..  trans-99.438.6-174.300000113.7R10 L91 S142R10-G93 PolarHBondContact NH2-O 3.42Å; L91-G93 PolarHBondContact O-N 3.14Å; G93-S142 WeakPolarHBondContact CA-O 3.43Å; G93-S142 PolarHBondContact N-O 2.93Å; G93-S142 WeakPolarHBondContact O-CB 3.36Å
94G56.5Low64.4Low22 Ų2262.3 Ų62.323%0.22740%0.403CS..  trans-49.6157.9-172.300000115.4F92 G96F92-G94 PolarHBondContact O-N 3.23Å; G94-G96 PolarHBondContact O-N 3.15Å
95Q44Very low63.1Low195 Ų19568.8 Ų68.891%0.91143%0.433SS*.SBendtrans-72.3120.3173.6-63.9-163.158.400109.4T97Q95-T97 PolarHBondContact O-N 3.34Å
96G36Very low62.9Low73 Ų7377 Ų7775%0.75346%0.463SS*.SBendtrans85.40.6159.400000118.1G94 S98G94-G96 PolarHBondContact O-N 3.15Å; G96-S98 PolarHBondContact O-N 2.81Å
97T32.2Very low63Low107 Ų10781.3 Ų81.366%0.65648%0.483SS*.  trans-83.255.3169.462.80000111.3Q95 S99Q95-T97 PolarHBondContact O-N 3.34Å; T97-S99 VanDerWaalsContact CA-N 3.35Å; T97-S99 PolarHBondContact O-N 2.84Å
98S34.1Very low63.2Low122 Ų12284 Ų8485%0.85350%0.497SS*.  -74.560.9129.3-62.80000106.1G96 A100G96-S98 PolarHBondContact O-N 2.81Å; S98-A100 PolarHBondContact O-N 2.9Å; S98-A100 VanDerWaalsContact O-N 3.15Å
99S35.5Very low63.3Low66 Ų6684.8 Ų84.846%0.46251%0.505SS..  trans-66.8116.8171.8-164.10000103.9T97 N101T97-S99 VanDerWaalsContact CA-N 3.35Å; T97-S99 PolarHBondContact O-N 2.84Å; S99-N101 PolarHBondContact O-N 2.77Å
100A44.9Very low63.3Low99 Ų9986.6 Ų86.682%0.81851%0.514SS*.THydrogen-bonded Turntrans-57.85.6-168.900000115.4S98S98-A100 PolarHBondContact O-N 2.9Å; S98-A100 VanDerWaalsContact O-N 3.15Å
101N37Very low63.3Low139 Ų13986.6 Ų86.674%0.74351%0.514SS*.THydrogen-bonded Turntrans-122.264.3-178.4-62.1-9000110.5S99 S103S99-N101 PolarHBondContact O-N 2.77Å; N101-S103 PolarHBondContact O-N 2.8Å
102G39.9Very low63.1Low82 Ų8287.6 Ų87.685%0.84552%0.519SS*.THydrogen-bonded Turntrans46.622.8157.100000118.7E104G102-E104 PolarHBondContact O-N 2.95Å
103S45.9Very low63Low76 Ų7691.2 Ų91.253%0.53154%0.535SS..PPolyproline II helixtrans-77.3125.1-169510000110.6N101 Q105N101-S103 PolarHBondContact O-N 2.8Å; S103-Q105 PolarHBondContact O-N 2.95Å
104E54.2Low63.7Low184 Ų18494.6 Ų94.686%0.8655%0.553SS**PPolyproline II helixtrans-47.5130.5-179.6-63.9179162.900111.2G102 R106G102-E104 PolarHBondContact O-N 2.95Å; E104-R106 PolarHBondContact O-N 3.46Å
105Q66.3Low65.4Low137 Ų13795.5 Ų95.564%0.6456%0.562SS**PPolyproline II helixtrans-56.1117.7174.9-72.3-179.4-18.500109L91 S103 I107L91-Q105 HydrophobicContact CD2-CB 4.47Å; S103-Q105 PolarHBondContact O-N 2.95Å; Q105-I107 PolarHBondContact O-N 3.03Å
106R85.7Confident67.8Low186 Ų18689.5 Ų89.570%0.70253%0.534SS*.  trans-61.7111.4-176.4-176-179.8178.9179.10.8110.3F92 E104F92-R106 HydrophobicContact CB-CB 4.2Å; F92-R106 PolarHBondContact N-O 2.9Å; E104-R106 PolarHBondContact O-N 3.46Å
107I89.9Confident70.7Confident100 Ų10091.8 Ų91.851%0.51352%0.523SS..EExtended strand (participates in β ladder)trans-75.6125.5175.3-60.5165000108.7T89 L91 Q105T89-I107 HydrophobicContact CG2-CG1 4.23Å; T89-I107 HydrophobicContact CG2-CG2 3.96Å; L91-I107 HydrophobicContact CD2-CB 4.32Å; L91-I107 HydrophobicContact CD2-CG1 3.58Å; Q105-I107 PolarHBondContact O-N 3.03Å
108L91.6Very high73.8Confident57 Ų5788.1 Ų88.130%0.29850%0.5SS..EExtended strand (participates in β ladder)trans-82.4-33.6171.7-67.7179.7000111.7V90 F92 I143V90-L108 HydrophobicContact CB-CB 4.4Å; V90-L108 HydrophobicContact CG1-CB 4.21Å; V90-L108 HydrophobicContact CG1-CD1 4.11Å; V90-L108 PolarHBondContact O-N 3.44Å; F92-L108 HydrophobicContact CB-CD2 4.43Å; F92-L108 HydrophobicContact CB-CG 4.34Å; F92-L108 HydrophobicContact CD2-CD1 4.31Å; F92-L108 HydrophobicContact CD2-CD2 4.15Å; L108-I143 HydrophobicContact CD1-CG2 3.58Å
109G93.4Very high76.8Confident15 Ų1586 Ų8616%0.15548%0.478CS..EExtended strand (participates in β ladder)trans165.9179.1177.400000112.9V90V90-G109 PolarHBondContact N-O 3.5Å
110N93.2Very high79.7Confident59 Ų5983.1 Ų83.132%0.31646%0.458SS..EExtended strand (participates in β ladder)trans-121.8141.8179.3-68.4-58.9000110.4T89 Q116 K148T89-N110 PolarHBondContact OG1-OD1 2.81Å; N110-Q116 PolarHBondContact O-NE2 3.06Å; N110-K148 VanDerWaalsContact CG-NZ 3.32Å; N110-K148 VanDerWaalsContact OD1-CE 3.27Å; N110-K148 WeakPolarHBondContact OD1-CE 3.32Å; N110-K148 PolarHBondContact OD1-NZ 3.4Å
111L92.7Very high82.2Confident0 Ų078.4 Ų78.40%042%0.419CS..EExtended strand (participates in β ladder)trans-116.780.7175.9-75.4172.9000109.3L37 A39 V84 A86 G87 I88 V90 Q116 L118L37-L111 HydrophobicContact CB-CD1 3.51Å; L37-L111 HydrophobicContact CD1-CD1 4.24Å; A39-L111 HydrophobicContact CB-CB 4.3Å; V84-L111 HydrophobicContact CG2-CD1 3.54Å; A86-L111 CarbonylContact C-O 3.59Å; G87-L111 PolarHBondContact N-O 2.89Å; I88-L111 PolarHBondContact N-O 2.88Å; I88-L111 PolarHBondContact O-N 2.97Å; V90-L111 HydrophobicContact CG2-CD1 4.39Å; L111-Q116 HydrophobicContact CD2-CB 4.11Å; L111-Q116 HydrophobicContact CD2-CG 3.99Å; L111-Q116 VanDerWaalsContact CD2-O 3.29Å; L111-Q116 WeakPolarHBondContact CD2-O 3.47Å; L111-L118 HydrophobicContact CD1-CB 4.34Å; L111-L118 HydrophobicContact CD2-CB 3.73Å; L111-L118 HydrophobicContact CG-CB 4.09Å; L111-L118 HydrophobicContact CG-CD2 4.5Å
112D88.2Confident85.1Confident32 Ų3276.9 Ų76.917%0.17141%0.408CS..  trans-97.9-22.8-171.2-67-43.5000113.1K148 P181 F182D112-K148 IonicContact OD1-NZ 3.49Å; D112-K148 PolarHBondContact OD1-NZ 2.94Å; D112-K148 IonicContact OD2-NZ 2.87Å; D112-K148 PolarHBondContact OD2-NZ 2.87Å; D112-K148 VanDerWaalsContact OD2-NZ 3.15Å; D112-P181 HydrophobicContact CB-CB 4.23Å; D112-P181 HydrophobicContact CB-CG 3.97Å; D112-F182 WeakPolarHBondContact O-CB 3.36Å
113K87.8Confident87.8Confident155 Ų15573.6 Ų73.667%0.67437%0.374SS*.SBendtrans-110.4138.2179.8-62.9-179.4-177178.20110.9A39 Q116A39-K113 WeakPolarHBondContact CB-O 3.2Å; K113-Q116 HydrophobicContact CB-CB 4.33Å; K113-Q116 WeakPolarHBondContact O-CB 3.39Å; K113-Q116 PolarHBondContact O-N 3.48Å; K113-Q116 VanDerWaalsContact O-N 3.07Å
114V88.5Confident90.2Very high81 Ų8170.1 Ų70.149%0.49135%0.35SS..THydrogen-bonded Turntrans-56.2138.5171.8173.60000110E41 A86 Q116E41-V114 HydrophobicContact CG-CB 4.34Å; E41-V114 HydrophobicContact CG-CG1 3.6Å; E41-V114 HydrophobicContact CG-CG2 3.79Å; A86-V114 HydrophobicContact CB-CG2 4.37Å; V114-Q116 PolarHBondContact O-N 3.17Å
115G92.7Very high92.2Very high40 Ų4064.4 Ų64.441%0.41233%0.327SS..THydrogen-bonded Turntrans77.5-7.6-176.100000114.3A39 K117A39-G115 PolarHBondContact O-N 2.93Å; G115-K117 PolarHBondContact O-N 3.49Å
116Q94.8Very high93.6Very high70 Ų7057.9 Ų57.933%0.32730%0.297SS..  trans-64133.1173.9-169.9-176.1-11.200109.4E38 A39 N110 L111 K113 V114E38-Q116 WeakPolarHBondContact CA-O 3.49Å; A39-Q116 PolarHBondContact N-O 3.46Å; N110-Q116 PolarHBondContact O-NE2 3.06Å; L111-Q116 HydrophobicContact CD2-CB 4.11Å; L111-Q116 HydrophobicContact CD2-CG 3.99Å; L111-Q116 VanDerWaalsContact CD2-O 3.29Å; L111-Q116 WeakPolarHBondContact CD2-O 3.47Å; K113-Q116 HydrophobicContact CB-CB 4.33Å; K113-Q116 WeakPolarHBondContact O-CB 3.39Å; K113-Q116 PolarHBondContact O-N 3.48Å; K113-Q116 VanDerWaalsContact O-N 3.07Å; V114-Q116 PolarHBondContact O-N 3.17Å
117K96.7Very high94Very high120 Ų12049 Ų4952%0.52226%0.263SS..EExtended strand (participates in β ladder)trans-109.3143.3176.3-68-175.7176.6-175.60110.9L37 E38 G115L37-K117 CarbonylContact O-C 3.58Å; L37-K117 VanDerWaalsContact O-CA 3.25Å; L37-K117 WeakPolarHBondContact O-CA 3.47Å; E38-K117 HydrophobicContact CB-CG 4.07Å; E38-K117 VanDerWaalsContact CD-CE 3.4Å; E38-K117 HydrophobicContact CG-CG 3.94Å; E38-K117 VanDerWaalsContact OE2-CE 3.26Å; E38-K117 WeakPolarHBondContact OE2-CE 3.35Å; E38-K117 IonicContact OE2-NZ 3.31Å; G115-K117 PolarHBondContact O-N 3.49Å
118L97.6Very high94.2Very high30 Ų3046.5 Ų46.516%0.15725%0.249CC..EExtended strand (participates in β ladder)trans-130.7123175.4-178.268.4000109.3F36 L37 V90 L111 V120F36-L118 CarbonylContact C-O 3.53Å; F36-L118 VanDerWaalsContact CA-O 3.3Å; F36-L118 WeakPolarHBondContact CA-O 3.47Å; L37-L118 PolarHBondContact N-O 3.27Å; L37-L118 PolarHBondContact O-N 2.93Å; V90-L118 HydrophobicContact CB-CD2 3.92Å; V90-L118 HydrophobicContact CG1-CD2 4.48Å; V90-L118 HydrophobicContact CG2-CD2 3.74Å; L111-L118 HydrophobicContact CD1-CB 4.34Å; L111-L118 HydrophobicContact CD2-CB 3.73Å; L111-L118 HydrophobicContact CG-CB 4.09Å; L111-L118 HydrophobicContact CG-CD2 4.5Å; L118-V120 HydrophobicContact CD2-CG1 4.3Å; L118-V120 HydrophobicContact CG-CG1 4.33Å; L118-V120 PolarHBondContact O-N 3.43Å
119L97.4Very high94.2Very high78 Ų7849.9 Ų49.941%0.40826%0.263SS..EExtended strand (participates in β ladder)trans-70.4121.5171.6177.866.1000109F36 Q122F36-L119 HydrophobicContact CD1-CB 3.98Å; F36-L119 HydrophobicContact CD1-CD1 4.04Å; F36-L119 HydrophobicContact CE1-CB 3.8Å; F36-L119 HydrophobicContact CE1-CD1 3.6Å; F36-L119 HydrophobicContact CE1-CG 4.25Å; F36-L119 HydrophobicContact CE2-CD1 4.36Å; F36-L119 HydrophobicContact CZ-CD1 3.79Å; L119-Q122 HydrophobicContact CD2-CB 4.34Å
120V96.4Very high94.2Very high6 Ų656.1 Ų56.14%0.03629%0.288CS..EExtended strand (participates in β ladder)trans-113.6-23.6179.4-67.10000113.5V13 V35 L37 V90 L118 H141 I143V13-V120 HydrophobicContact CG1-CG2 4.28Å; V13-V120 HydrophobicContact CG2-CG2 4.38Å; V35-V120 HydrophobicContact CB-CG2 4.05Å; V35-V120 HydrophobicContact CG1-CG2 3.77Å; V35-V120 VanDerWaalsContact O-CG2 3.25Å; V35-V120 WeakPolarHBondContact O-CG2 3.4Å; V35-V120 PolarHBondContact O-N 3.36Å; L37-V120 HydrophobicContact CB-CG1 4.48Å; L37-V120 HydrophobicContact CD1-CG1 3.49Å; L37-V120 VanDerWaalsContact CD1-CG1 3.49Å; L37-V120 HydrophobicContact CG-CG1 3.75Å; L37-V120 HydrophobicContact CG-CG2 4.12Å; V90-V120 HydrophobicContact CG1-CG1 4.11Å; L118-V120 HydrophobicContact CD2-CG1 4.3Å; L118-V120 HydrophobicContact CG-CG1 4.33Å; L118-V120 PolarHBondContact O-N 3.43Å; V120-H141 PolarHBondContact O-CE1 3.02Å; V120-H141 PolarHBondContact O-NE2 2.76Å; V120-H141 VanDerWaalsContact O-NE2 3.09Å; V120-I143 HydrophobicContact CB-CD1 4.09Å; V120-I143 HydrophobicContact CG1-CD1 4.07Å; V120-I143 HydrophobicContact CG2-CD1 4.19Å
121A96.2Very high94.1Very high0 Ų055.7 Ų55.70%029%0.286CS..EExtended strand (participates in β ladder)trans-145.1120.9170.200000109.9V13 A15 S34 V35 Q139V13-A121 HydrophobicContact CB-CB 4.47Å; V13-A121 HydrophobicContact CG2-CB 4.11Å; A15-A121 HydrophobicContact CB-CB 3.88Å; S34-A121 CarbonylContact C-O 3.54Å; S34-A121 WeakPolarHBondContact CA-O 3.35Å; S34-A121 WeakPolarHBondContact CB-O 3.41Å; V35-A121 HydrophobicContact CB-CB 4.02Å; V35-A121 HydrophobicContact CG2-CB 4.17Å; V35-A121 PolarHBondContact N-O 2.8Å; V35-A121 PolarHBondContact O-N 3.32Å; A121-Q139 HydrophobicContact CB-CB 4.14Å
122Q97.4Very high94.2Very high107 Ų10758 Ų5850%0.531%0.309SS..PPolyproline II helixtrans-80.4133.5179-168174.414.500111.6A15 L119 Q139A15-Q122 WeakPolarHBondContact CB-O 3.42Å; L119-Q122 HydrophobicContact CD2-CB 4.34Å; Q122-Q139 HydrophobicContact CB-CG 4.29Å; Q122-Q139 PolarHBondContact O-N 3.02Å
123G96.8Very high94.5Very high13 Ų1358.5 Ų58.513%0.13431%0.309CS..PPolyproline II helixtrans-64.4151.7172.700000113.4G16 G32 S34G16-G123 WeakPolarHBondContact O-CA 3.44Å; G32-G123 WeakPolarHBondContact O-CA 3.43Å; S34-G123 PolarHBondContact OG-N 2.93Å
124G96.8Very high94.8Very high3 Ų357 Ų573%0.03131%0.307CS..PPolyproline II helixtrans-71.6147.6176.500000112.3G16 N31 G32 S136G16-G124 PolarHBondContact O-N 3.47Å; N31-G124 CarbonylContact C-O 3.55Å; N31-G124 WeakPolarHBondContact CA-O 3.49Å; G32-G124 PolarHBondContact N-O 3.42Å; G124-S136 VanDerWaalsContact CA-O 3.31Å; G124-S136 WeakPolarHBondContact CA-O 3.36Å
125V96.6Very high95Very high64 Ų6454.2 Ų54.239%0.38829%0.294SS..PPolyproline II helixtrans-81.8133.5177.5-176.70000108.9F128 G135 S136V125-F128 HydrophobicContact CG1-CE1 3.96Å; V125-G135 CarbonylContact O-C 3.51Å; V125-G135 WeakPolarHBondContact O-CA 3.23Å; V125-S136 PolarHBondContact N-OG 3.23Å; V125-S136 PolarHBondContact O-N 2.86Å
126G95.3Very high95.2Very high0 Ų054.4 Ų54.40%029%0.289CS..PPolyproline II helixtrans-66.7159.5176.300000113.1G29 G30 N31 F128 N131G29-G126 WeakPolarHBondContact O-CA 3.36Å; G30-G126 WeakPolarHBondContact O-CA 3.41Å; N31-G126 PolarHBondContact OD1-N 2.7Å; G126-F128 VanDerWaalsContact O-CD1 3.26Å; G126-F128 WeakPolarHBondContact O-CD1 3.25Å; G126-N131 PolarHBondContact O-ND2 3.5Å
127G95.1Very high95.2Very high0 Ų056.2 Ų56.20%031%0.307CS..PPolyproline II helixtrans-76.7130.117900000112.7A19 G21 R28 G29 N131A19-G127 PolarHBondContact O-N 3.32Å; G21-G127 WeakPolarHBondContact CA-O 3.36Å; R28-G127 CarbonylContact C-O 3.27Å; R28-G127 VanDerWaalsContact CA-O 3.25Å; R28-G127 WeakPolarHBondContact CA-O 3.44Å; G29-G127 PolarHBondContact N-O 3.34Å; G127-N131 WeakPolarHBondContact CA-OD1 3.48Å
128F93.6Very high95.1Very high47 Ų4751.2 Ų51.221%0.20629%0.29CS..  trans-146.2-177.9174.460.7-79.5000110.3R28 V125 G126 Q130 N131 G132 Y133R28-F128 HydrophobicContact CB-CB 4.16Å; R28-F128 HydrophobicContact CG-CB 3.97Å; V125-F128 HydrophobicContact CG1-CE1 3.96Å; G126-F128 VanDerWaalsContact O-CD1 3.26Å; G126-F128 WeakPolarHBondContact O-CD1 3.25Å; F128-Q130 HydrophobicContact CD2-CB 3.94Å; F128-Q130 HydrophobicContact CD2-CG 3.93Å; F128-Q130 HydrophobicContact CE2-CB 3.42Å; F128-Q130 VanDerWaalsContact CE2-CB 3.42Å; F128-Q130 HydrophobicContact CE2-CG 3.52Å; F128-Q130 HydrophobicContact CZ-CB 4.14Å; F128-Q130 PolarHBondContact O-N 3.02Å; F128-Q130 VanDerWaalsContact O-N 3.08Å; F128-N131 WeakPolarHBondContact CE1-ND2 3.39Å; F128-N131 PolarHBondContact N-OD1 2.83Å; F128-N131 PolarHBondContact O-N 2.96Å; F128-N131 PolarHBondContact O-OD1 2.88Å; F128-G132 PolarHBondContact O-N 2.72Å; F128-Y133 PolarHBondContact O-N 2.82Å
129H91.5Very high95.1Very high128 Ų12854 Ų5459%0.59330%0.302SS*.G310 helixtrans-55.9-34.2-17177.979.6000114.4Y133H129-Y133 HydrophobicContact CB-CE2 4.44Å
130Q92.4Very high95Very high146 Ų14652.9 Ų52.968%0.68230%0.304SS*.G310 helixtrans-77.1-29.1-175.1-53.6-178.8-11.700113F128F128-Q130 HydrophobicContact CD2-CB 3.94Å; F128-Q130 HydrophobicContact CD2-CG 3.93Å; F128-Q130 HydrophobicContact CE2-CB 3.42Å; F128-Q130 VanDerWaalsContact CE2-CB 3.42Å; F128-Q130 HydrophobicContact CE2-CG 3.52Å; F128-Q130 HydrophobicContact CZ-CB 4.14Å; F128-Q130 PolarHBondContact O-N 3.02Å; F128-Q130 VanDerWaalsContact O-N 3.08Å
131N92.8Very high94.9Very high50 Ų5054 Ų5427%0.26731%0.308SS..G310 helixtrans-102.922.3176.267.86000112.1G126 G127 F128 Y133 I134G126-N131 PolarHBondContact O-ND2 3.5Å; G127-N131 WeakPolarHBondContact CA-OD1 3.48Å; F128-N131 WeakPolarHBondContact CE1-ND2 3.39Å; F128-N131 PolarHBondContact N-OD1 2.83Å; F128-N131 PolarHBondContact O-N 2.96Å; F128-N131 PolarHBondContact O-OD1 2.88Å; N131-Y133 VanDerWaalsContact C-N 3.28Å; N131-Y133 PolarHBondContact O-N 3.18Å; N131-I134 VanDerWaalsContact CG-O 3.31Å; N131-I134 PolarHBondContact ND2-O 2.91Å; N131-I134 PolarHBondContact O-N 2.92Å
132G94.6Very high94.8Very high48 Ų4855.2 Ų55.250%0.49532%0.317SS..THydrogen-bonded Turntrans68.423.5175.900000114.5F128 I134F128-G132 PolarHBondContact O-N 2.72Å; G132-I134 PolarHBondContact O-N 3.06Å
133Y93.2Very high94.7Very high42 Ų4250.1 Ų50.117%0.16529%0.294CS..THydrogen-bonded Turntrans63.915.2-173.5-56.7-89.8000114.3A20 G21 P23 K26 G27 F128 H129 N131A20-Y133 WeakPolarHBondContact CA-O 3.46Å; G21-Y133 PolarHBondContact N-O 3.45Å; P23-Y133 HydrophobicContact CB-CD2 3.88Å; P23-Y133 HydrophobicContact CB-CE2 3.92Å; P23-Y133 HydrophobicContact CB-CG 4.33Å; P23-Y133 HydrophobicContact CG-CD1 4.47Å; P23-Y133 HydrophobicContact CG-CD2 3.62Å; P23-Y133 HydrophobicContact CG-CE2 4.2Å; P23-Y133 HydrophobicContact CG-CG 3.77Å; K26-Y133 WeakPolarHBondContact CA-OH 3.41Å; G27-Y133 VanDerWaalsContact O-CD1 3.25Å; G27-Y133 WeakPolarHBondContact O-CD1 3.32Å; G27-Y133 WeakPolarHBondContact O-CE1 3.25Å; F128-Y133 PolarHBondContact O-N 2.82Å; H129-Y133 HydrophobicContact CB-CE2 4.44Å; N131-Y133 VanDerWaalsContact C-N 3.28Å; N131-Y133 PolarHBondContact O-N 3.18Å
134I94.5Very high94.5Very high125 Ų12551.1 Ų51.164%0.64130%0.297SS*.PPolyproline II helixtrans-95.2121.2177.6-57.8172.4000108.8N131 G132N131-I134 VanDerWaalsContact CG-O 3.31Å; N131-I134 PolarHBondContact ND2-O 2.91Å; N131-I134 PolarHBondContact O-N 2.92Å; G132-I134 PolarHBondContact O-N 3.06Å
135G93.5Very high94.4Very high21 Ų2151 Ų5122%0.21630%0.295CS..PPolyproline II helixtrans-73.2152.9173.400000112V125V125-G135 CarbonylContact O-C 3.51Å; V125-G135 WeakPolarHBondContact O-CA 3.23Å
136S95.9Very high94Very high44 Ų4449.4 Ų49.431%0.30829%0.285SS..PPolyproline II helixtrans-98.5150.4176.576.50000112.2G18 G124 V125G18-S136 PolarHBondContact N-O 3.09Å; G124-S136 VanDerWaalsContact CA-O 3.31Å; G124-S136 WeakPolarHBondContact CA-O 3.36Å; V125-S136 PolarHBondContact N-OG 3.23Å; V125-S136 PolarHBondContact O-N 2.86Å
137P95.8Very high93.7Very high108 Ų10849.9 Ų49.970%0.70129%0.287SS*.PPolyproline II helixtrans-69146.3174.429-34.5000111.1
138G94.7Very high93.2Very high15 Ų1552.5 Ų52.516%0.15530%0.299CS..PPolyproline II helixtrans-74.7156.2169.500000111.9G16G16-G138 WeakPolarHBondContact O-CA 3.41Å
139Q96Very high92.6Very high89 Ų8953 Ų5342%0.41630%0.303SS..PPolyproline II helixtrans-65.4141.3176.3-67.1179-10.400111.6A15 A121 Q122A15-Q139 PolarHBondContact N-O 2.88Å; A121-Q139 HydrophobicContact CB-CB 4.14Å; Q122-Q139 HydrophobicContact CB-CG 4.29Å; Q122-Q139 PolarHBondContact O-N 3.02Å
140A95.3Very high92.2Very high54 Ų5447.1 Ų47.145%0.44628%0.276SS..EExtended strand (participates in β ladder)trans-142.9121.8175.300000110.9F12 V13 R14F12-A140 HydrophobicContact CZ-CB 3.92Å; V13-A140 WeakPolarHBondContact O-CA 3.3Å; R14-A140 HydrophobicContact CB-CB 4.18Å; R14-A140 HydrophobicContact CG-CB 4.01Å
141H94.4Very high92Very high29 Ų2940.2 Ų40.213%0.13424%0.244CC..EExtended strand (participates in β ladder)trans-163168.9-179.753.9-89.3000111.4F12 V13 F92 V120F12-H141 WeakPolarHBondContact CD2-O 3.47Å; V13-H141 WeakPolarHBondContact CG2-O 3.47Å; V13-H141 PolarHBondContact N-O 3.05Å; V13-H141 PolarHBondContact O-N 3.41Å; F92-H141 AromaticContact CD2-CD2 3.58Å; F92-H141 AromaticContact CD2-NE2 3.92Å; F92-H141 HydrophobicContact CE2-CB 3.81Å; F92-H141 AromaticContact CE2-CD2 3.2Å; F92-H141 WeakPolarHBondContact CE2-CD2 3.35Å; F92-H141 AromaticContact CE2-CG 3.42Å; F92-H141 VanDerWaalsContact CE2-CG 3.42Å; F92-H141 AromaticContact CE2-ND1 3.99Å; F92-H141 AromaticContact CE2-NE2 3.67Å; F92-H141 HydrophobicContact CZ-CB 3.84Å; F92-H141 AromaticContact CZ-CG 3.99Å; V120-H141 PolarHBondContact O-CE1 3.02Å; V120-H141 PolarHBondContact O-NE2 2.76Å; V120-H141 VanDerWaalsContact O-NE2 3.09Å
142S94.8Very high91.9Very high27 Ų2740 Ų4019%0.18924%0.243CC..EExtended strand (participates in β ladder)trans-87.5144.4170.9-73.10000110.9I11 G93I11-S142 CarbonylContact O-C 3.53Å; I11-S142 VanDerWaalsContact O-CA 3.29Å; I11-S142 WeakPolarHBondContact O-CA 3.49Å; G93-S142 WeakPolarHBondContact CA-O 3.43Å; G93-S142 PolarHBondContact N-O 2.93Å; G93-S142 WeakPolarHBondContact O-CB 3.36Å
143I94.1Very high91.8Very high0 Ų037.8 Ų37.80%022%0.22CC..EExtended strand (participates in β ladder)trans-126.7154169.862.4177.8000109.5R10 I11 V13 L37 V90 L91 L108 V120 L145R10-I143 WeakPolarHBondContact CA-O 3.43Å; I11-I143 HydrophobicContact CD1-CD1 4.04Å; I11-I143 HydrophobicContact CD1-CG1 4.12Å; I11-I143 HydrophobicContact CG1-CD1 4.03Å; I11-I143 HydrophobicContact CG1-CG1 3.53Å; I11-I143 PolarHBondContact N-O 3.04Å; I11-I143 PolarHBondContact O-N 3.23Å; I11-I143 VanDerWaalsContact O-O 3.13Å; V13-I143 HydrophobicContact CG1-CD1 3.91Å; V13-I143 HydrophobicContact CG1-CG1 4.28Å; V13-I143 HydrophobicContact CG2-CD1 4.33Å; V13-I143 HydrophobicContact CG2-CG1 4.46Å; V13-I143 HydrophobicContact CG2-CG2 4.24Å; L37-I143 HydrophobicContact CD1-CD1 3.99Å; V90-I143 HydrophobicContact CG1-CB 4.21Å; V90-I143 HydrophobicContact CG1-CD1 4.02Å; L91-I143 CarbonylContact O-C 3.52Å; L91-I143 VanDerWaalsContact O-CA 3.23Å; L91-I143 WeakPolarHBondContact O-CA 2.93Å; L91-I143 WeakPolarHBondContact O-CB 3.45Å; L108-I143 HydrophobicContact CD1-CG2 3.58Å; V120-I143 HydrophobicContact CB-CD1 4.09Å; V120-I143 HydrophobicContact CG1-CD1 4.07Å; V120-I143 HydrophobicContact CG2-CD1 4.19Å; I143-L145 HydrophobicContact CD1-CD2 4.12Å
144V93.8Very high91.9Very high33 Ų3335.8 Ų35.820%0.221%0.212CC..EExtended strand (participates in β ladder)trans-112.5123.1172.1-177.30000107.7R10 L91R10-V144 HydrophobicContact CB-CG2 4.19Å; R10-V144 HydrophobicContact CG-CG2 4.09Å; L91-V144 HydrophobicContact CB-CB 4.23Å; L91-V144 PolarHBondContact N-O 2.92Å; L91-V144 PolarHBondContact O-N 3.45Å
145L93.7Very high91.9Very high0 Ų029.9 Ų29.90%018%0.181CC..EExtended strand (participates in β ladder)trans-88.6112.2171.2-52179.5000106.9K8 L9 I11 L37 L45 L48 V84 I88 V90 I143K8-L145 WeakPolarHBondContact CA-O 3.39Å; L9-L145 HydrophobicContact CB-CB 4.5Å; L9-L145 PolarHBondContact N-O 3.33Å; L9-L145 PolarHBondContact O-N 3.48Å; I11-L145 HydrophobicContact CD1-CD1 4.02Å; I11-L145 HydrophobicContact CD1-CG 4.39Å; L37-L145 HydrophobicContact CD1-CD2 3.57Å; L37-L145 HydrophobicContact CD2-CD2 4.24Å; L45-L145 HydrophobicContact CD2-CB 4.03Å; L45-L145 HydrophobicContact CD2-CD1 3.91Å; L48-L145 HydrophobicContact CD2-CD1 3.81Å; V84-L145 HydrophobicContact CG1-CD1 3.74Å; I88-L145 HydrophobicContact CD1-CB 4.36Å; I88-L145 HydrophobicContact CG2-CB 4.05Å; I88-L145 HydrophobicContact CG2-CD2 4.21Å; V90-L145 HydrophobicContact CG1-CD2 4.31Å; V90-L145 HydrophobicContact CG2-CD2 4.16Å; I143-L145 HydrophobicContact CD1-CD2 4.12Å
146D89.8Confident92Very high31 Ų3128.9 Ų28.917%0.16617%0.171CC..EExtended strand (participates in β ladder)trans-111.6111.3-178.7-164.1-3.1000109.4K8 I88 T89 L91 K148K8-D146 WeakPolarHBondContact CE-OD1 3.42Å; K8-D146 WeakPolarHBondContact CE-OD2 3.45Å; K8-D146 WeakPolarHBondContact CG-OD1 3.4Å; K8-D146 IonicContact NZ-OD1 2.79Å; K8-D146 PolarHBondContact NZ-OD1 3.3Å; K8-D146 IonicContact NZ-OD2 3.15Å; K8-D146 PolarHBondContact NZ-OD2 2.84Å; I88-D146 WeakPolarHBondContact CA-O 3.41Å; T89-D146 PolarHBondContact N-O 2.96Å; T89-D146 PolarHBondContact O-N 3.49Å; L91-D146 HydrophobicContact CD1-CB 4.05Å; D146-K148 PolarHBondContact O-N 3.44Å
147L87.6Confident91.9Very high10 Ų1026.8 Ų26.85%0.05216%0.156CC..EExtended strand (participates in β ladder)trans-75.1120179.2-174.767.4000109.5F5 D7 L45 P85 I88 L149F5-L147 HydrophobicContact CE1-CD2 4.38Å; F5-L147 HydrophobicContact CZ-CD2 3.99Å; D7-L147 WeakPolarHBondContact O-CB 3.36Å; D7-L147 PolarHBondContact O-N 3.39Å; L45-L147 HydrophobicContact CD1-CB 4.28Å; P85-L147 HydrophobicContact CB-CD1 4.2Å; P85-L147 HydrophobicContact CG-CD1 4.21Å; I88-L147 HydrophobicContact CD1-CB 3.81Å; I88-L147 HydrophobicContact CD1-CD1 3.82Å; I88-L147 HydrophobicContact CD1-CG 4.44Å; I88-L147 HydrophobicContact CG1-CD1 4.17Å; L147-L149 PolarHBondContact O-N 3.04Å
148K84.4Confident91.8Very high55 Ų5521.8 Ų21.824%0.23912%0.124CC..  trans-64106.7176-65.8172.9-176.2174.50109.6G87 T89 N110 D112 D146 F182G87-K148 VanDerWaalsContact O-CB 3.27Å; G87-K148 WeakPolarHBondContact O-CB 3.25Å; G87-K148 VanDerWaalsContact O-CG 3.31Å; G87-K148 WeakPolarHBondContact O-CG 3.3Å; G87-K148 PolarHBondContact O-N 2.74Å; T89-K148 WeakPolarHBondContact OG1-CE 3.33Å; N110-K148 VanDerWaalsContact CG-NZ 3.32Å; N110-K148 VanDerWaalsContact OD1-CE 3.27Å; N110-K148 WeakPolarHBondContact OD1-CE 3.32Å; N110-K148 PolarHBondContact OD1-NZ 3.4Å; D112-K148 IonicContact OD1-NZ 3.49Å; D112-K148 PolarHBondContact OD1-NZ 2.94Å; D112-K148 IonicContact OD2-NZ 2.87Å; D112-K148 PolarHBondContact OD2-NZ 2.87Å; D112-K148 VanDerWaalsContact OD2-NZ 3.15Å; D146-K148 PolarHBondContact O-N 3.44Å; K148-F182 HydrophobicContact CB-CE1 3.81Å; K148-F182 HydrophobicContact CB-CZ 3.87Å; K148-F182 HydrophobicContact CD-CE1 3.87Å; K148-F182 HydrophobicContact CG-CE1 4.49Å
149L81.5Confident91.5Very high58 Ų5823.5 Ų23.530%0.30413%0.132SC..  trans-72.7145.5171.7-59.8177.4000109.9L147 R247 S249L147-L149 PolarHBondContact O-N 3.04Å; L149-R247 CarbonylContact C-O 3.58Å; L149-R247 VanDerWaalsContact CA-O 3.27Å; L149-R247 WeakPolarHBondContact CA-O 3.3Å; L149-R247 WeakPolarHBondContact CD2-O 3.18Å; L149-S249 VanDerWaalsContact CD1-OG 3.29Å; L149-S249 WeakPolarHBondContact CD1-OG 3.17Å
150M82.6Confident91.2Very high4 Ų425.8 Ų25.82%0.0215%0.147CC..SBendtrans-92.6-31.217561.2175.369.100112.9Y180 T183 P187 A203 H244 R247M150-Y180 HydrophobicContact CB-CD2 3.93Å; M150-Y180 HydrophobicContact CB-CE1 4.23Å; M150-Y180 HydrophobicContact CB-CE2 3.48Å; M150-Y180 VanDerWaalsContact CB-CE2 3.48Å; M150-Y180 HydrophobicContact CB-CG 4.48Å; M150-Y180 PolarHBondContact O-OH 3.39Å; M150-T183 HydrophobicContact CE-CG2 3.93Å; M150-P187 HydrophobicContact SD-CG 4Å; M150-A203 HydrophobicContact SD-CB 4.4Å; M150-H244 HydrophobicContact CE-CB 3.49Å; M150-H244 VanDerWaalsContact CE-CB 3.49Å; M150-H244 WeakPolarHBondContact CE-O 3.44Å; M150-H244 HydrophobicContact SD-CB 3.96Å; M150-R247 HydrophobicContact CE-CB 3.68Å; M150-R247 HydrophobicContact CE-CG 4.3Å; M150-R247 HydrophobicContact CG-CB 4.06Å; M150-R247 WeakPolarHBondContact CG-O 3.26Å; M150-R247 PolarHBondContact N-O 3.28Å
151A88.2Confident91.1Very high2 Ų223.4 Ų23.42%0.01713%0.128CC..EExtended strand (participates in β ladder)trans-156.7158.6-177.600000110.4Y153 S201 A203 S248 S249A151-Y153 WeakPolarHBondContact CB-O 3.31Å; A151-S201 VanDerWaalsContact CA-OG 3.23Å; A151-S201 WeakPolarHBondContact CA-OG 3.32Å; A151-A203 HydrophobicContact CB-CB 3.64Å; A151-S248 VanDerWaalsContact O-CA 3.23Å; A151-S248 WeakPolarHBondContact O-CA 3.34Å; A151-S249 PolarHBondContact O-N 2.9Å
152D91.2Very high91Very high44 Ų4422.6 Ų22.624%0.23513%0.128CC..EExtended strand (participates in β ladder)trans-71.7-41.5171.6-56.7-64.5000110.2I200 S201 S249 C250 L369D152-I200 HydrophobicContact CB-CG2 4.04Å; D152-S201 WeakPolarHBondContact CB-O 3.17Å; D152-S201 PolarHBondContact N-O 2.82Å; D152-S201 PolarHBondContact N-OG 2.71Å; D152-S201 PolarHBondContact OD2-N 3.06Å; D152-S201 PolarHBondContact OD2-OG 2.87Å; D152-S249 WeakPolarHBondContact O-CB 3.34Å; D152-S249 PolarHBondContact O-N 3.47Å; D152-C250 PolarHBondContact O-N 3.47Å; D152-L369 HydrophobicContact CB-CD1 3.75Å; D152-L369 HydrophobicContact CB-CD2 4.26Å
153Y93.7Very high91Very high3 Ų322 Ų221%0.01212%0.122CC..EExtended strand (participates in β ladder)trans-119.8143.4177.1-68.5-79.6000111.9A151 I200 S201 I202 A203 C250 L252 L365 L369A151-Y153 WeakPolarHBondContact CB-O 3.31Å; Y153-I200 HydrophobicContact CD2-CG2 3.67Å; Y153-I200 HydrophobicContact CE2-CG2 3.84Å; Y153-S201 PolarHBondContact N-O 3.24Å; Y153-I202 HydrophobicContact CD2-CG1 4.48Å; Y153-I202 CarbonylContact O-C 3.15Å; Y153-I202 WeakPolarHBondContact O-CA 3.26Å; Y153-A203 PolarHBondContact O-N 3.38Å; Y153-C250 WeakPolarHBondContact CA-O 3.31Å; Y153-C250 HydrophobicContact CD1-CB 3.4Å; Y153-C250 VanDerWaalsContact CD1-CB 3.4Å; Y153-C250 HydrophobicContact CE1-CB 3.4Å; Y153-C250 VanDerWaalsContact CE1-CB 3.4Å; Y153-C250 HydrophobicContact CG-CB 4.35Å; Y153-L252 HydrophobicContact CD1-CD1 3.94Å; Y153-L252 HydrophobicContact CD1-CD2 3.68Å; Y153-L252 HydrophobicContact CD1-CG 3.6Å; Y153-L252 HydrophobicContact CE1-CD2 3.95Å; Y153-L252 HydrophobicContact CE1-CG 4.37Å; Y153-L252 HydrophobicContact CG-CD1 3.96Å; Y153-L252 HydrophobicContact CG-CG 4.09Å; Y153-L365 HydrophobicContact CD1-CD2 4.25Å; Y153-L365 HydrophobicContact CD2-CD2 4.42Å; Y153-L365 HydrophobicContact CE1-CD2 3.85Å; Y153-L365 HydrophobicContact CE2-CB 4.05Å; Y153-L365 HydrophobicContact CE2-CD2 4Å; Y153-L365 PolarHBondContact OH-O 2.71Å; Y153-L369 HydrophobicContact CD2-CD1 4.37Å; Y153-L369 HydrophobicContact CE1-CD2 4.46Å; Y153-L369 HydrophobicContact CE2-CD1 3.65Å; Y153-L369 HydrophobicContact CE2-CD2 3.84Å; Y153-L369 HydrophobicContact CE2-CG 3.52Å; Y153-L369 WeakPolarHBondContact OH-CG 3.45Å
154S93.4Very high90.9Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-116.5126.7165.357.10000111.2A203 S248 C250 L252S154-A203 WeakPolarHBondContact CA-O 3.45Å; S154-S248 VanDerWaalsContact CB-OG 3.25Å; S154-S248 WeakPolarHBondContact CB-OG 3.43Å; S154-S248 PolarHBondContact OG-OG 2.96Å; S154-C250 PolarHBondContact N-O 3.24Å; S154-C250 PolarHBondContact OG-O 3.04Å; S154-L252 PolarHBondContact O-N 2.99Å
155L95.4Very high90.9Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-77.4124.1171.5-60.8166.3000109.2K163 L166 L167 I202 A203 D204 L252 V254L155-K163 HydrophobicContact CB-CB 4.31Å; L155-K163 HydrophobicContact CB-CD 4.46Å; L155-K163 HydrophobicContact CB-CG 4.48Å; L155-K163 WeakPolarHBondContact CD1-O 3.34Å; L155-L166 HydrophobicContact CD2-CD2 4.04Å; L155-L167 HydrophobicContact CD1-CB 3.85Å; L155-L167 HydrophobicContact CD1-CD1 4.25Å; L155-I202 HydrophobicContact CD1-CG2 3.95Å; L155-I202 HydrophobicContact CD2-CG2 4.34Å; L155-I202 HydrophobicContact CG-CG2 3.8Å; L155-A203 PolarHBondContact N-O 2.98Å; L155-D204 HydrophobicContact CD1-CB 4.26Å; L155-L252 WeakPolarHBondContact CA-O 3.32Å; L155-L252 HydrophobicContact CD2-CB 3.78Å; L155-L252 HydrophobicContact CD2-CD1 3.87Å; L155-L252 HydrophobicContact CD2-CG 4.47Å; L155-V254 HydrophobicContact CB-CG2 4.35Å; L155-V254 HydrophobicContact CD2-CG2 3.67Å
156I94.6Very high91Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-126.6144.9175.3-164171.1000109.7L208 L242 V245 I251 L252 L253 V254 I278 M282I156-L208 HydrophobicContact CD1-CD1 3.95Å; I156-L208 HydrophobicContact CG1-CD1 4.1Å; I156-L242 HydrophobicContact CD1-CD2 3.56Å; I156-V245 HydrophobicContact CD1-CG2 4.22Å; I156-I251 HydrophobicContact CB-CG2 4.45Å; I156-I251 HydrophobicContact CG2-CG2 3.5Å; I156-I251 VanDerWaalsContact CG2-CG2 3.5Å; I156-L252 PolarHBondContact N-O 2.96Å; I156-L253 HydrophobicContact CG2-CB 4.36Å; I156-L253 HydrophobicContact CG2-CD1 3.91Å; I156-L253 CarbonylContact O-C 3.55Å; I156-V254 PolarHBondContact O-N 3.48Å; I156-I278 HydrophobicContact CD1-CG2 4.24Å; I156-I278 HydrophobicContact CG1-CG2 4.37Å; I156-M282 HydrophobicContact CD1-CE 4.41Å; I156-M282 HydrophobicContact CD1-CG 3.9Å; I156-M282 HydrophobicContact CD1-SD 3.63Å
157G94.7Very high91.2Very high0 Ų024.8 Ų24.80%015%0.145CC..  trans170.3170.7-175.100000111.3G207 L208 V254G157-G207 WeakPolarHBondContact O-CA 3.39Å; G157-L208 PolarHBondContact O-N 3.05Å; G157-V254 WeakPolarHBondContact CA-O 3.4Å
158F93.8Very high91.5Very high3 Ų330.3 Ų30.31%0.01317%0.168CC..  trans-68.2165.1170.9-806.7000111.7A161 K163 L208 D210 F260 V274 L277 I278F158-A161 WeakPolarHBondContact O-CB 3.39Å; F158-A161 PolarHBondContact O-N 3.4Å; F158-K163 PolarHBondContact O-NZ 3.1Å; F158-L208 HydrophobicContact CD1-CB 4.01Å; F158-L208 WeakPolarHBondContact CD1-O 3.34Å; F158-L208 HydrophobicContact CE1-CB 4.12Å; F158-D210 HydrophobicContact CE2-CB 4.12Å; F158-D210 HydrophobicContact CZ-CB 4.39Å; F158-F260 HydrophobicContact CB-CD2 3.96Å; F158-F260 HydrophobicContact CB-CE2 4.08Å; F158-F260 HydrophobicContact CB-CG 4.42Å; F158-F260 HydrophobicContact CD2-CB 3.91Å; F158-F260 AromaticContact CD2-CD1 3.55Å; F158-F260 HydrophobicContact CD2-CD1 3.55Å; F158-F260 AromaticContact CD2-CD2 3.92Å; F158-F260 HydrophobicContact CD2-CD2 3.92Å; F158-F260 AromaticContact CD2-CE1 3.97Å; F158-F260 HydrophobicContact CD2-CE1 3.97Å; F158-F260 HydrophobicContact CD2-CE2 4.31Å; F158-F260 AromaticContact CD2-CG 3.52Å; F158-F260 HydrophobicContact CD2-CG 3.52Å; F158-F260 HydrophobicContact CD2-CZ 4.34Å; F158-F260 AromaticContact CE2-CD1 3.94Å; F158-F260 HydrophobicContact CE2-CD1 3.94Å; F158-F260 HydrophobicContact CE2-CE1 4.4Å; F158-F260 HydrophobicContact CE2-CG 4.28Å; F158-F260 HydrophobicContact CG-CD2 4.47Å; F158-F260 HydrophobicContact CG-CG 4.47Å; F158-V274 HydrophobicContact CB-CG1 4.4Å; F158-V274 HydrophobicContact CD1-CG1 4.21Å; F158-V274 HydrophobicContact CD2-CB 4.42Å; F158-V274 HydrophobicContact CD2-CG1 3.54Å; F158-V274 HydrophobicContact CD2-CG2 4.11Å; F158-V274 HydrophobicContact CE1-CG1 4.42Å; F158-V274 HydrophobicContact CE2-CB 4.35Å; F158-V274 HydrophobicContact CE2-CG1 3.79Å; F158-V274 HydrophobicContact CE2-CG2 4.06Å; F158-V274 HydrophobicContact CG-CG1 3.79Å; F158-V274 HydrophobicContact CZ-CG1 4.23Å; F158-L277 HydrophobicContact CE2-CD1 4.36Å; F158-L277 HydrophobicContact CZ-CB 3.93Å; F158-L277 HydrophobicContact CZ-CD1 4.12Å; F158-I278 HydrophobicContact CD1-CD1 3.82Å; F158-I278 HydrophobicContact CD1-CG1 3.67Å; F158-I278 HydrophobicContact CE1-CD1 4.12Å; F158-I278 HydrophobicContact CE1-CG1 3.5Å; F158-I278 VanDerWaalsContact CE1-CG1 3.5Å; F158-I278 HydrophobicContact CG-CD1 4.48Å; F158-I278 HydrophobicContact CZ-CG1 4.41Å
159P89Confident91.9Very high52 Ų5228.3 Ų28.334%0.33816%0.162SC..THydrogen-bonded Turntrans-49.8148.2165.9-2834.3000111.2A161 L208 F260P159-A161 PolarHBondContact O-N 3.12Å; P159-L208 WeakPolarHBondContact CD-O 3.13Å; P159-F260 HydrophobicContact CB-CE2 4.48Å; P159-F260 WeakPolarHBondContact O-CE2 3.3Å
160N89.3Confident92.5Very high136 Ų13625.7 Ų25.773%0.72715%0.148SC*.THydrogen-bonded Turntrans60.24.6177.5-56.1-25.5000116.8G162 K301N160-G162 PolarHBondContact O-N 3.21Å; N160-K301 WeakPolarHBondContact O-CE 3.36Å; N160-K301 PolarHBondContact O-NZ 2.84Å
161A93.6Very high92.9Very high4 Ų426.1 Ų26.13%0.03315%0.152CC..SBendtrans-62.8-6.5171.800000113.9F158 P159 V254 N300F158-A161 WeakPolarHBondContact O-CB 3.39Å; F158-A161 PolarHBondContact O-N 3.4Å; P159-A161 PolarHBondContact O-N 3.12Å; A161-V254 HydrophobicContact CB-CG1 4.23Å; A161-V254 WeakPolarHBondContact O-CG1 3.41Å; A161-N300 PolarHBondContact O-ND2 3.34Å
162G92.9Very high92.7Very high13 Ų1329.5 Ų29.513%0.13419%0.187CC..SBendtrans85.921.1177.700000114.7N160 S164 S165 L166N160-G162 PolarHBondContact O-N 3.21Å; G162-S164 PolarHBondContact O-N 3.44Å; G162-S165 PolarHBondContact O-N 3.18Å; G162-L166 WeakPolarHBondContact O-CB 3.47Å; G162-L166 PolarHBondContact O-N 3.24Å
163K93.8Very high92Very high15 Ų1529.7 Ų29.77%0.06519%0.194CC..Hα-helixtrans-51.4-53.6177.4-58.1-176-60.5-620113.2L155 F158 S165 L166 L167 D204 L205 V254L155-K163 HydrophobicContact CB-CB 4.31Å; L155-K163 HydrophobicContact CB-CD 4.46Å; L155-K163 HydrophobicContact CB-CG 4.48Å; L155-K163 WeakPolarHBondContact CD1-O 3.34Å; F158-K163 PolarHBondContact O-NZ 3.1Å; K163-S165 VanDerWaalsContact C-N 3.34Å; K163-S165 PolarHBondContact O-N 3.4Å; K163-L166 WeakPolarHBondContact O-CB 3.44Å; K163-L166 PolarHBondContact O-N 3.32Å; K163-L167 PolarHBondContact O-N 2.84Å; K163-D204 WeakPolarHBondContact CB-OD1 3.49Å; K163-L205 WeakPolarHBondContact CE-O 3.28Å; K163-V254 HydrophobicContact CG-CB 4.01Å; K163-V254 HydrophobicContact CG-CG1 4.34Å; K163-V254 HydrophobicContact CG-CG2 4.19Å
164S92.4Very high91.4Very high53 Ų5334.9 Ų34.937%0.37123%0.228SC..Hα-helixtrans-67.3-34.2-178.5-39.70000112.9G162 K168 D204G162-S164 PolarHBondContact O-N 3.44Å; S164-K168 WeakPolarHBondContact O-CG 3.37Å; S164-K168 PolarHBondContact O-N 2.84Å; S164-K168 VanDerWaalsContact O-N 3.16Å; S164-D204 WeakPolarHBondContact CA-OD2 3.1Å; S164-D204 VanDerWaalsContact CB-OD2 3.27Å; S164-D204 WeakPolarHBondContact CB-OD2 3.48Å; S164-D204 PolarHBondContact N-OD2 2.83Å; S164-D204 PolarHBondContact OG-OD2 3.31Å
165S93.5Very high91Very high68 Ų6836.1 Ų36.148%0.47624%0.239SC..Hα-helixtrans-67.1-42.3173.8-56.20000111.1G162 K163 K168 A169G162-S165 PolarHBondContact O-N 3.18Å; K163-S165 VanDerWaalsContact C-N 3.34Å; K163-S165 PolarHBondContact O-N 3.4Å; S165-K168 PolarHBondContact O-N 3.08Å; S165-A169 WeakPolarHBondContact O-CB 3.22Å; S165-A169 PolarHBondContact O-N 3.04Å
166L95Very high90.6Very high0 Ų044 Ų440%027%0.273CS..Hα-helixtrans-63.9-41.7175.9-177.263.8000111.6L155 G162 K163 K168 A169 L170 V254 I298 V350 A352 I358 L361L155-L166 HydrophobicContact CD2-CD2 4.04Å; G162-L166 WeakPolarHBondContact O-CB 3.47Å; G162-L166 PolarHBondContact O-N 3.24Å; K163-L166 WeakPolarHBondContact O-CB 3.44Å; K163-L166 PolarHBondContact O-N 3.32Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.3Å; L166-A169 PolarHBondContact O-N 2.93Å; L166-L170 HydrophobicContact CD1-CD1 4.12Å; L166-L170 HydrophobicContact CD1-CG 4.27Å; L166-L170 HydrophobicContact CG-CD1 3.95Å; L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 WeakPolarHBondContact O-CG 3.36Å; L166-L170 PolarHBondContact O-N 2.94Å; L166-V254 HydrophobicContact CD2-CG1 4.28Å; L166-V254 HydrophobicContact CD2-CG2 3.88Å; L166-I298 HydrophobicContact CD2-CB 4.49Å; L166-I298 HydrophobicContact CD2-CD1 3.7Å; L166-I298 HydrophobicContact CD2-CG2 3.95Å; L166-V350 HydrophobicContact CD1-CG2 4.16Å; L166-A352 HydrophobicContact CB-CB 4.06Å; L166-A352 HydrophobicContact CD1-CB 4.2Å; L166-I358 HydrophobicContact CD1-CD1 3.69Å; L166-L361 HydrophobicContact CD1-CD2 4.07Å
167L94.6Very high90Very high1 Ų149.2 Ų49.21%0.00530%0.3CS..Hα-helixtrans-56.1-47.6174.3-176.963.9000111.1L155 K163 L170 S171 A175 Q188 A190 I202 D204L155-L167 HydrophobicContact CD1-CB 3.85Å; L155-L167 HydrophobicContact CD1-CD1 4.25Å; K163-L167 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 2.91Å; L167-S171 WeakPolarHBondContact O-CB 3.44Å; L167-S171 PolarHBondContact O-N 3.23Å; L167-S171 PolarHBondContact O-OG 3.21Å; L167-A175 HydrophobicContact CD2-CB 3.62Å; L167-A175 HydrophobicContact CG-CB 4.43Å; L167-Q188 HydrophobicContact CD2-CB 4.34Å; L167-A190 HydrophobicContact CD1-CB 3.69Å; L167-A190 HydrophobicContact CD2-CB 4.12Å; L167-A190 HydrophobicContact CG-CB 3.83Å; L167-I202 HydrophobicContact CD1-CB 3.63Å; L167-I202 HydrophobicContact CD1-CG2 3.68Å; L167-I202 WeakPolarHBondContact CD1-O 3.26Å; L167-D204 HydrophobicContact CD2-CB 3.68Å
168K93Very high89Confident125 Ų12550 Ų5054%0.54331%0.306SS..Hα-helixtrans-64.2-41.6177.5-70.3173.4-177.2-179.80112.3S164 S165 L166 S171 G172S164-K168 WeakPolarHBondContact O-CG 3.37Å; S164-K168 PolarHBondContact O-N 2.84Å; S164-K168 VanDerWaalsContact O-N 3.16Å; S165-K168 PolarHBondContact O-N 3.08Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.3Å; K168-S171 PolarHBondContact O-OG 3.38Å; K168-G172 PolarHBondContact O-N 2.84Å
169A93.6Very high88.1Confident13 Ų1355.2 Ų55.211%0.10733%0.334CS..Hα-helixtrans-64.8-39.218000000112.1S165 L166 A352 I358S165-A169 WeakPolarHBondContact O-CB 3.22Å; S165-A169 PolarHBondContact O-N 3.04Å; L166-A169 PolarHBondContact O-N 2.93Å; A169-A352 HydrophobicContact CB-CB 4.45Å; A169-I358 HydrophobicContact CB-CD1 4.3Å; A169-I358 HydrophobicContact CB-CG1 4.3Å; A169-I358 HydrophobicContact CB-CG2 4.28Å
170L93.6Very high87.4Confident3 Ų355.9 Ų55.92%0.01633%0.331CS..Hα-helixtrans-75.4-43.1178.8-74.2168.6000113.1L166 L167 I202 I358 L361 K362 L365L166-L170 HydrophobicContact CD1-CD1 4.12Å; L166-L170 HydrophobicContact CD1-CG 4.27Å; L166-L170 HydrophobicContact CG-CD1 3.95Å; L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 WeakPolarHBondContact O-CG 3.36Å; L166-L170 PolarHBondContact O-N 2.94Å; L167-L170 PolarHBondContact O-N 2.91Å; L170-I202 HydrophobicContact CB-CD1 4.39Å; L170-I202 HydrophobicContact CD1-CD1 3.92Å; L170-I358 HydrophobicContact CD2-CG2 4.1Å; L170-L361 HydrophobicContact CD1-CD2 4.23Å; L170-L361 HydrophobicContact CD2-CD2 3.93Å; L170-L361 HydrophobicContact CD2-CG 4.04Å; L170-L361 HydrophobicContact CG-CD2 4.47Å; L170-K362 HydrophobicContact CD2-CB 4.17Å; L170-L365 HydrophobicContact CD1-CD1 4.01Å; L170-L365 HydrophobicContact CD2-CD1 4.13Å
171S90.8Very high86.2Confident13 Ų1353.6 Ų53.69%0.09132%0.323CS..Hα-helixtrans-76-29.9-177.665.90000113.1L167 K168 A173L167-S171 WeakPolarHBondContact O-CB 3.44Å; L167-S171 PolarHBondContact O-N 3.23Å; L167-S171 PolarHBondContact O-OG 3.21Å; K168-S171 PolarHBondContact O-OG 3.38Å; S171-A173 PolarHBondContact O-N 2.95Å; S171-A173 VanDerWaalsContact O-N 3.15Å; S171-A173 PolarHBondContact OG-N 2.91Å; S171-A173 PolarHBondContact OG-O 2.88Å
172G84.3Confident85Confident74 Ų7454.2 Ų54.276%0.76333%0.325SS*.SBendtrans65.45.3-169.500000114K168K168-G172 PolarHBondContact O-N 2.84Å
173A78Confident83.6Confident47 Ų4754.6 Ų54.639%0.38833%0.325SS..SBendtrans-138.2150.6-172.800000111.1S171 A175S171-A173 PolarHBondContact O-N 2.95Å; S171-A173 VanDerWaalsContact O-N 3.15Å; S171-A173 PolarHBondContact OG-N 2.91Å; S171-A173 PolarHBondContact OG-O 2.88Å; A173-A175 PolarHBondContact O-N 2.88Å
174P80.5Confident82.1Confident112 Ų11258.7 Ų58.773%0.72735%0.351SS*.PPolyproline II helixtrans-59.9130.2177.624.1-32.5000110.8
175A85.4Confident81.1Confident26 Ų2659.1 Ų59.122%0.21535%0.348CS..PPolyproline II helixtrans-64.2139.9175.900000110.4L167 A173 Q188 A190L167-A175 HydrophobicContact CD2-CB 3.62Å; L167-A175 HydrophobicContact CG-CB 4.43Å; A173-A175 PolarHBondContact O-N 2.88Å; A175-Q188 HydrophobicContact CB-CB 4.01Å; A175-A190 HydrophobicContact CB-CB 4.15Å
176K85.5Confident80.3Confident165 Ų16561.9 Ų61.972%0.71735%0.352SS*.EExtended strand (participates in β ladder)trans-101.1140.3177.9-66.7179.4-178.8177.50109.2A178 V189K176-A178 PolarHBondContact O-N 2.79Å; K176-V189 PolarHBondContact N-O 3.01Å; K176-V189 PolarHBondContact O-N 2.74Å
177I82Confident79.7Confident110 Ų11062 Ų6256%0.56435%0.353SS*.EExtended strand (participates in β ladder)trans-72.2117.9173.5-60.3173.8000107.6K186I177-K186 HydrophobicContact CG2-CB 3.64Å; I177-K186 HydrophobicContact CG2-CD 3.95Å; I177-K186 HydrophobicContact CG2-CG 4.4Å
178A75.5Confident79.4Confident16 Ų1665.6 Ų65.613%0.13237%0.37CS..PPolyproline II helixtrans-89.5130.5-179.900000111.1K176 Y180 P187 V189K176-A178 PolarHBondContact O-N 2.79Å; A178-Y180 HydrophobicContact CB-CD2 3.72Å; A178-Y180 HydrophobicContact CB-CE2 3.29Å; A178-P187 HydrophobicContact CB-CG 4.48Å; A178-P187 PolarHBondContact N-O 2.93Å; A178-V189 HydrophobicContact CB-CB 4.18Å; A178-V189 HydrophobicContact CB-CG2 3.62Å
179N74.9Confident79.3Confident114 Ų11460.6 Ų60.661%0.6135%0.349SS*.  trans-10368.2-179.2-72.2-28.5000110.6K186N179-K186 WeakPolarHBondContact OD1-CD 3.39Å; N179-K186 WeakPolarHBondContact OD1-CE 3.29Å; N179-K186 PolarHBondContact OD1-NZ 3.27Å
180Y73.5Confident79.2Confident66 Ų6660.2 Ų60.226%0.25935%0.346SS..  trans-75.9127.1175-66.6-78000110.2M150 A178 F182 T183 P187 V189M150-Y180 HydrophobicContact CB-CD2 3.93Å; M150-Y180 HydrophobicContact CB-CE1 4.23Å; M150-Y180 HydrophobicContact CB-CE2 3.48Å; M150-Y180 VanDerWaalsContact CB-CE2 3.48Å; M150-Y180 HydrophobicContact CB-CG 4.48Å; M150-Y180 PolarHBondContact O-OH 3.39Å; A178-Y180 HydrophobicContact CB-CD2 3.72Å; A178-Y180 HydrophobicContact CB-CE2 3.29Å; Y180-F182 HydrophobicContact CD1-CE2 4.28Å; Y180-F182 AromaticContact CD1-CZ 3.85Å; Y180-F182 HydrophobicContact CD1-CZ 3.85Å; Y180-F182 HydrophobicContact CG-CE2 4.13Å; Y180-F182 HydrophobicContact CG-CZ 4.16Å; Y180-F182 PolarHBondContact O-N 3.42Å; Y180-T183 HydrophobicContact CG-CG2 4.38Å; Y180-T183 PolarHBondContact O-N 3.43Å; Y180-T183 VanDerWaalsContact O-N 3.07Å; Y180-T183 PolarHBondContact O-OG1 2.92Å; Y180-P187 HydrophobicContact CD2-CG 4.42Å; Y180-V189 HydrophobicContact CE2-CG2 4.32Å
181P63.2Low79.1Confident87 Ų8765.4 Ų65.457%0.56537%0.369SS*.THydrogen-bonded Turntrans-63-19.9-169.323.7-33.9000114D112D112-P181 HydrophobicContact CB-CB 4.23Å; D112-P181 HydrophobicContact CB-CG 3.97Å
182F69.8Low79.1Confident18 Ų1864.8 Ų64.88%0.07937%0.365CS..THydrogen-bonded Turntrans-103.611.5-175.649.4-114.5000113.2A86 D112 K148 Y180 R247A86-F182 HydrophobicContact CB-CB 4.32Å; D112-F182 WeakPolarHBondContact O-CB 3.36Å; K148-F182 HydrophobicContact CB-CE1 3.81Å; K148-F182 HydrophobicContact CB-CZ 3.87Å; K148-F182 HydrophobicContact CD-CE1 3.87Å; K148-F182 HydrophobicContact CG-CE1 4.49Å; Y180-F182 HydrophobicContact CD1-CE2 4.28Å; Y180-F182 AromaticContact CD1-CZ 3.85Å; Y180-F182 HydrophobicContact CD1-CZ 3.85Å; Y180-F182 HydrophobicContact CG-CE2 4.13Å; Y180-F182 HydrophobicContact CG-CZ 4.16Å; Y180-F182 PolarHBondContact O-N 3.42Å; F182-R247 PolarHBondContact O-NH1 3.29Å; F182-R247 PolarHBondContact O-NH2 2.66Å
183T63.6Low79.4Confident20 Ų2065.5 Ų65.512%0.12335%0.35CS..  trans-109.4134.4-178.663.20000110.1M150 Y180 H244M150-T183 HydrophobicContact CE-CG2 3.93Å; Y180-T183 HydrophobicContact CG-CG2 4.38Å; Y180-T183 PolarHBondContact O-N 3.43Å; Y180-T183 VanDerWaalsContact O-N 3.07Å; Y180-T183 PolarHBondContact O-OG1 2.92Å; T183-H244 VanDerWaalsContact CB-CD2 3.47Å; T183-H244 WeakPolarHBondContact CB-CD2 3.46Å; T183-H244 VanDerWaalsContact CB-NE2 3.3Å; T183-H244 WeakPolarHBondContact CB-NE2 3.22Å; T183-H244 WeakPolarHBondContact CG2-CD2 3.32Å
184T61.5Low80Confident101 Ų10164.1 Ų64.162%0.6234%0.335SS*.SBendtrans-90.4-20.3176.251.70000111.9K243 H244T184-K243 WeakPolarHBondContact OG1-CE 3.46Å; T184-K243 PolarHBondContact OG1-NZ 3.44Å; T184-H244 PolarHBondContact N-NE2 3.32Å
185I70.3Confident80.3Confident62 Ų6264.5 Ų64.532%0.31834%0.34SS..SBendtrans-122.1126176.8-65.5164.3000105.6P187 P206 F241 H244I185-P187 WeakPolarHBondContact O-CD 3.36Å; I185-P206 HydrophobicContact CG2-CG 3.8Å; I185-F241 HydrophobicContact CD1-CB 3.63Å; I185-H244 PolarHBondContact O-NE2 2.65Å
186K78.4Confident80.5Confident126 Ų12666.9 Ų66.955%0.54835%0.349SS..  trans-80.6110.2-178.3-63.3177.5175-163.70108.7I177 N179I177-K186 HydrophobicContact CG2-CB 3.64Å; I177-K186 HydrophobicContact CG2-CD 3.95Å; I177-K186 HydrophobicContact CG2-CG 4.4Å; N179-K186 WeakPolarHBondContact OD1-CD 3.39Å; N179-K186 WeakPolarHBondContact OD1-CE 3.29Å; N179-K186 PolarHBondContact OD1-NZ 3.27Å
187P82.3Confident80.5Confident2 Ų266.7 Ų66.71%0.01335%0.351CS..  trans-72.6154.6176.732.4-34.6000110.2M150 A178 Y180 I185 V189 A203 L205M150-P187 HydrophobicContact SD-CG 4Å; A178-P187 HydrophobicContact CB-CG 4.48Å; A178-P187 PolarHBondContact N-O 2.93Å; Y180-P187 HydrophobicContact CD2-CG 4.42Å; I185-P187 WeakPolarHBondContact O-CD 3.36Å; P187-V189 HydrophobicContact CB-CG2 4.44Å; P187-V189 HydrophobicContact CG-CG2 4.15Å; P187-A203 HydrophobicContact CB-CB 4.41Å; P187-L205 HydrophobicContact CB-CD2 3.96Å
188Q88.6Confident80.8Confident78 Ų7864.2 Ų64.236%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-85.6121.4165.5-68.4-174.71.400107.8L167 A175 A203 D204L167-Q188 HydrophobicContact CD2-CB 4.34Å; A175-Q188 HydrophobicContact CB-CB 4.01Å; Q188-A203 CarbonylContact O-C 3.57Å; Q188-A203 WeakPolarHBondContact O-CA 3.36Å; Q188-D204 HydrophobicContact CB-CB 4.38Å; Q188-D204 PolarHBondContact N-O 3.49Å; Q188-D204 PolarHBondContact O-N 2.92Å
189V89.7Confident81.6Confident19 Ų1968 Ų6812%0.11535%0.349CS..EExtended strand (participates in β ladder)trans-115.3131.8179.6-176.20000108.7K176 A178 Y180 P187 I202 A203K176-V189 PolarHBondContact N-O 3.01Å; K176-V189 PolarHBondContact O-N 2.74Å; A178-V189 HydrophobicContact CB-CB 4.18Å; A178-V189 HydrophobicContact CB-CG2 3.62Å; Y180-V189 HydrophobicContact CE2-CG2 4.32Å; P187-V189 HydrophobicContact CB-CG2 4.44Å; P187-V189 HydrophobicContact CG-CG2 4.15Å; V189-I202 WeakPolarHBondContact CA-O 3.4Å; V189-A203 HydrophobicContact CG2-CB 4.08Å
190A91.8Very high82.4Confident6 Ų662.7 Ų62.75%0.0532%0.32CS..EExtended strand (participates in β ladder)trans-124152.9171.100000110L167 A175 I202L167-A190 HydrophobicContact CD1-CB 3.69Å; L167-A190 HydrophobicContact CD2-CB 4.12Å; L167-A190 HydrophobicContact CG-CB 3.83Å; A175-A190 HydrophobicContact CB-CB 4.15Å; A190-I202 PolarHBondContact N-O 3.4Å; A190-I202 PolarHBondContact O-N 2.86Å
191K91.8Very high83.3Confident112 Ų11260.7 Ų60.749%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-105.5128.7175.1-65.3-177.8171.2-165.30109E199 I200K191-E199 WeakPolarHBondContact CD-OE2 2.92Å; K191-E199 WeakPolarHBondContact CE-OE2 3.3Å; K191-E199 IonicContact NZ-OE1 3.95Å; K191-E199 IonicContact NZ-OE2 2.67Å; K191-E199 PolarHBondContact NZ-OE2 3.38Å; K191-I200 CarbonylContact C-O 3.57Å; K191-I200 WeakPolarHBondContact CA-O 3.27Å
192C90.7Very high84.8Confident0 Ų056.5 Ų56.50%029%0.289CS..EExtended strand (participates in β ladder)trans-89.6113.7167.9-59.80000107.5Y194 E199 I200 I202C192-Y194 HydrophobicContact CB-CE2 4.2Å; C192-E199 WeakPolarHBondContact O-CA 3.16Å; C192-I200 HydrophobicContact CB-CB 4.49Å; C192-I200 PolarHBondContact N-O 2.9Å; C192-I200 PolarHBondContact O-N 2.91Å; C192-I202 WeakPolarHBondContact SG-CD1 3.42Å
193I90.1Very high85.8Confident89 Ų8955.7 Ų55.746%0.45629%0.285SS..EExtended strand (participates in β ladder)trans-95.4129.9179-54.4176.2000108.4E199 K362I193-E199 HydrophobicContact CG1-CG 4.41Å; I193-K362 WeakPolarHBondContact O-CE 3.34Å; I193-K362 PolarHBondContact O-NZ 2.8Å
194Y90.1Very high87.1Confident18 Ų1855.3 Ų55.37%0.07128%0.283CS..  trans-97.2166.9177-66.2-97000110.9C192 D196 H197 R198 I200 K362 R366C192-Y194 HydrophobicContact CB-CE2 4.2Å; Y194-D196 WeakPolarHBondContact CB-OD1 3.1Å; Y194-D196 PolarHBondContact O-N 3.31Å; Y194-H197 PolarHBondContact O-N 2.81Å; Y194-R198 HydrophobicContact CD2-CB 4.41Å; Y194-R198 WeakPolarHBondContact CD2-O 3.46Å; Y194-R198 PolarHBondContact N-O 2.98Å; Y194-I200 HydrophobicContact CE2-CB 3.99Å; Y194-I200 HydrophobicContact CE2-CD1 3.54Å; Y194-I200 HydrophobicContact CE2-CG1 3.72Å; Y194-K362 HydrophobicContact CE1-CD 4.42Å; Y194-K362 HydrophobicContact CE1-CG 3.66Å; Y194-K362 WeakPolarHBondContact CE1-O 3.43Å; Y194-K362 PolarHBondContact OH-O 2.67Å; Y194-R366 HydrophobicContact CD1-CB 4.38Å; Y194-R366 HydrophobicContact CE1-CB 3.65Å; Y194-R366 HydrophobicContact CE1-CG 4.29Å
195S87.2Confident88.3Confident119 Ų11950.8 Ų50.883%0.83226%0.255SS*.THydrogen-bonded Turntrans-60.6-27.4-178.647.40000113.5H197S195-H197 VanDerWaalsContact C-N 3.28Å; S195-H197 PolarHBondContact O-N 2.89Å
196D89.4Confident89Confident77 Ų7750.2 Ų50.241%0.41226%0.255SS..THydrogen-bonded Turntrans-90.218.3175.265.6-23.6000113.3Y194 R198 R366Y194-D196 WeakPolarHBondContact CB-OD1 3.1Å; Y194-D196 PolarHBondContact O-N 3.31Å; D196-R198 PolarHBondContact O-N 3.28Å; D196-R198 WeakPolarHBondContact OD1-CB 3.16Å; D196-R198 PolarHBondContact OD1-N 3.34Å; D196-R366 IonicContact OD1-CZ 2.83Å; D196-R366 IonicContact OD1-NH1 2.7Å; D196-R366 PolarHBondContact OD1-NH1 2.81Å; D196-R366 IonicContact OD2-CZ 3.88Å; D196-R366 IonicContact OD2-NH1 3.07Å; D196-R366 PolarHBondContact OD2-NH1 2.94Å; D196-R366 IonicContact OD2-NH2 2.67Å; D196-R366 PolarHBondContact OD2-NH2 3.23Å
197H87.1Confident89.2Confident161 Ų16145.5 Ų45.575%0.74524%0.242SC*.SBendtrans61.87.8-178.3-54.4-68.2000115.6Y194 S195 E199Y194-H197 PolarHBondContact O-N 2.81Å; S195-H197 VanDerWaalsContact C-N 3.28Å; S195-H197 PolarHBondContact O-N 2.89Å; H197-E199 PolarHBondContact O-N 3.41Å
198R88.2Confident89.2Confident58 Ų5845.4 Ų45.422%0.21924%0.241CC..  trans-60.4139.6167.9-173.7177.4179.8179.25109.2Y194 D196 D370Y194-R198 HydrophobicContact CD2-CB 4.41Å; Y194-R198 WeakPolarHBondContact CD2-O 3.46Å; Y194-R198 PolarHBondContact N-O 2.98Å; D196-R198 PolarHBondContact O-N 3.28Å; D196-R198 WeakPolarHBondContact OD1-CB 3.16Å; D196-R198 PolarHBondContact OD1-N 3.34Å; R198-D370 IonicContact CZ-OD1 2.96Å; R198-D370 IonicContact CZ-OD2 3.21Å; R198-D370 IonicContact NH1-OD1 2.9Å; R198-D370 PolarHBondContact NH1-OD1 3Å; R198-D370 IonicContact NH1-OD2 3.84Å; R198-D370 PolarHBondContact NH1-OD2 3.3Å; R198-D370 IonicContact NH2-OD1 2.66Å; R198-D370 PolarHBondContact NH2-OD1 3Å
199E90.4Very high88.8Confident96 Ų9643.1 Ų43.145%0.44924%0.236SC..EExtended strand (participates in β ladder)trans-115.4131176.4-59-172152.400109.7K191 C192 I193 H197K191-E199 WeakPolarHBondContact CD-OE2 2.92Å; K191-E199 WeakPolarHBondContact CE-OE2 3.3Å; K191-E199 IonicContact NZ-OE1 3.95Å; K191-E199 IonicContact NZ-OE2 2.67Å; K191-E199 PolarHBondContact NZ-OE2 3.38Å; C192-E199 WeakPolarHBondContact O-CA 3.16Å; I193-E199 HydrophobicContact CG1-CG 4.41Å; H197-E199 PolarHBondContact O-N 3.41Å
200I92.5Very high88.4Confident1 Ų142.7 Ų42.71%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-117.2126.3169.8-67.7178.4000108.4D152 Y153 K191 C192 Y194 I202 R366 L369D152-I200 HydrophobicContact CB-CG2 4.04Å; Y153-I200 HydrophobicContact CD2-CG2 3.67Å; Y153-I200 HydrophobicContact CE2-CG2 3.84Å; K191-I200 CarbonylContact C-O 3.57Å; K191-I200 WeakPolarHBondContact CA-O 3.27Å; C192-I200 HydrophobicContact CB-CB 4.49Å; C192-I200 PolarHBondContact N-O 2.9Å; C192-I200 PolarHBondContact O-N 2.91Å; Y194-I200 HydrophobicContact CE2-CB 3.99Å; Y194-I200 HydrophobicContact CE2-CD1 3.54Å; Y194-I200 HydrophobicContact CE2-CG1 3.72Å; I200-I202 HydrophobicContact CG2-CG1 4.42Å; I200-R366 HydrophobicContact CD1-CB 4.07Å; I200-L369 HydrophobicContact CB-CD1 4.42Å; I200-L369 HydrophobicContact CD1-CD1 3.58Å; I200-L369 HydrophobicContact CD1-CG 4.5Å; I200-L369 HydrophobicContact CG1-CD1 3.77Å; I200-L369 HydrophobicContact CG2-CD1 3.83Å
201S92Very high88Confident24 Ų2442.5 Ų42.517%0.16823%0.231CC..EExtended strand (participates in β ladder)trans-91.7132.1-18056.50000111.4A151 D152 Y153A151-S201 VanDerWaalsContact CA-OG 3.23Å; A151-S201 WeakPolarHBondContact CA-OG 3.32Å; D152-S201 WeakPolarHBondContact CB-O 3.17Å; D152-S201 PolarHBondContact N-O 2.82Å; D152-S201 PolarHBondContact N-OG 2.71Å; D152-S201 PolarHBondContact OD2-N 3.06Å; D152-S201 PolarHBondContact OD2-OG 2.87Å; Y153-S201 PolarHBondContact N-O 3.24Å
202I94.3Very high87.5Confident0 Ų038.3 Ų38.30%021%0.213CC..EExtended strand (participates in β ladder)trans-125.6127.6178-50.1-175.1000108.3Y153 L155 L167 L170 V189 A190 C192 I200 L365Y153-I202 HydrophobicContact CD2-CG1 4.48Å; Y153-I202 CarbonylContact O-C 3.15Å; Y153-I202 WeakPolarHBondContact O-CA 3.26Å; L155-I202 HydrophobicContact CD1-CG2 3.95Å; L155-I202 HydrophobicContact CD2-CG2 4.34Å; L155-I202 HydrophobicContact CG-CG2 3.8Å; L167-I202 HydrophobicContact CD1-CB 3.63Å; L167-I202 HydrophobicContact CD1-CG2 3.68Å; L167-I202 WeakPolarHBondContact CD1-O 3.26Å; L170-I202 HydrophobicContact CB-CD1 4.39Å; L170-I202 HydrophobicContact CD1-CD1 3.92Å; V189-I202 WeakPolarHBondContact CA-O 3.4Å; A190-I202 PolarHBondContact N-O 3.4Å; A190-I202 PolarHBondContact O-N 2.86Å; C192-I202 WeakPolarHBondContact SG-CD1 3.42Å; I200-I202 HydrophobicContact CG2-CG1 4.42Å; I202-L365 HydrophobicContact CD1-CD1 4.14Å
203A91.8Very high86.9Confident0 Ų038.8 Ų38.80%022%0.217CC..EExtended strand (participates in β ladder)trans-102.1127.7175.200000110.8M150 A151 Y153 S154 L155 P187 Q188 V189M150-A203 HydrophobicContact SD-CB 4.4Å; A151-A203 HydrophobicContact CB-CB 3.64Å; Y153-A203 PolarHBondContact O-N 3.38Å; S154-A203 WeakPolarHBondContact CA-O 3.45Å; L155-A203 PolarHBondContact N-O 2.98Å; P187-A203 HydrophobicContact CB-CB 4.41Å; Q188-A203 CarbonylContact O-C 3.57Å; Q188-A203 WeakPolarHBondContact O-CA 3.36Å; V189-A203 HydrophobicContact CG2-CB 4.08Å
204D91.7Very high86.3Confident13 Ų1339.1 Ų39.17%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-88.3125.5164.9-17725.1000109.9L155 K163 S164 L167 Q188L155-D204 HydrophobicContact CD1-CB 4.26Å; K163-D204 WeakPolarHBondContact CB-OD1 3.49Å; S164-D204 WeakPolarHBondContact CA-OD2 3.1Å; S164-D204 VanDerWaalsContact CB-OD2 3.27Å; S164-D204 WeakPolarHBondContact CB-OD2 3.48Å; S164-D204 PolarHBondContact N-OD2 2.83Å; S164-D204 PolarHBondContact OG-OD2 3.31Å; L167-D204 HydrophobicContact CD2-CB 3.68Å; Q188-D204 HydrophobicContact CB-CB 4.38Å; Q188-D204 PolarHBondContact N-O 3.49Å; Q188-D204 PolarHBondContact O-N 2.92Å
205L86.6Confident85.8Confident5 Ų539 Ų393%0.02622%0.216CC..  trans-108.6154.2-179.2-60.4178.8000110.3K163 P187 F241 H244 V245K163-L205 WeakPolarHBondContact CE-O 3.28Å; P187-L205 HydrophobicContact CB-CD2 3.96Å; L205-F241 HydrophobicContact CB-CD2 4.27Å; L205-H244 HydrophobicContact CD2-CB 3.85Å; L205-V245 HydrophobicContact CD1-CB 4.33Å; L205-V245 HydrophobicContact CD1-CG2 3.31Å
206P84Confident85.3Confident51 Ų5135.3 Ų35.333%0.33119%0.186SC..PPolyproline II helixtrans-51.3149.2172.8-24.632.5000112.5I185 F241I185-P206 HydrophobicContact CG2-CG 3.8Å; P206-F241 HydrophobicContact CB-CD1 4.04Å; P206-F241 HydrophobicContact CB-CD2 4.47Å; P206-F241 HydrophobicContact CB-CE1 4.2Å; P206-F241 HydrophobicContact CB-CG 4.16Å; P206-F241 HydrophobicContact CB-CZ 4.48Å; P206-F241 HydrophobicContact CG-CB 4.19Å; P206-F241 HydrophobicContact CG-CD1 4.41Å; P206-F241 HydrophobicContact CG-CG 4.15Å; P206-F241 WeakPolarHBondContact O-CE2 3.23Å; P206-F241 WeakPolarHBondContact O-CZ 3.49Å
207G82.6Confident84.5Confident26 Ų2633.8 Ų33.827%0.26818%0.184SC..PPolyproline II helixtrans-68.9145177.200000112.5G157G157-G207 WeakPolarHBondContact O-CA 3.39Å
208L83Confident83.9Confident0 Ų029.2 Ų29.20%016%0.163CC..PPolyproline II helixtrans-72.9141.2170.9-76.7169.2000110.6I156 G157 F158 P159 T239 F241 L242 I278 Q281I156-L208 HydrophobicContact CD1-CD1 3.95Å; I156-L208 HydrophobicContact CG1-CD1 4.1Å; G157-L208 PolarHBondContact O-N 3.05Å; F158-L208 HydrophobicContact CD1-CB 4.01Å; F158-L208 WeakPolarHBondContact CD1-O 3.34Å; F158-L208 HydrophobicContact CE1-CB 4.12Å; P159-L208 WeakPolarHBondContact CD-O 3.13Å; L208-T239 HydrophobicContact CD2-CG2 3.71Å; L208-F241 HydrophobicContact CB-CZ 4.42Å; L208-F241 HydrophobicContact CD2-CE1 4.06Å; L208-F241 HydrophobicContact CD2-CE2 4.17Å; L208-F241 HydrophobicContact CD2-CZ 3.42Å; L208-F241 VanDerWaalsContact CD2-CZ 3.42Å; L208-F241 HydrophobicContact CG-CE2 4.32Å; L208-F241 HydrophobicContact CG-CZ 3.69Å; L208-L242 HydrophobicContact CD2-CD1 4.26Å; L208-L242 HydrophobicContact CD2-CD2 4.14Å; L208-L242 HydrophobicContact CD2-CG 4.28Å; L208-I278 HydrophobicContact CD1-CB 4.11Å; L208-I278 HydrophobicContact CD1-CG1 3.96Å; L208-I278 HydrophobicContact CD1-CG2 3.64Å; L208-Q281 HydrophobicContact CD1-CB 4.46Å
209A80.3Confident83.1Confident31 Ų3128.7 Ų28.726%0.25616%0.164SC..PPolyproline II helixtrans-72.9152.7174.600000110.6I211 H238 Q281A209-I211 PolarHBondContact O-N 3Å; A209-I211 VanDerWaalsContact O-N 3.16Å; A209-H238 HydrophobicContact CB-CB 4.43Å; A209-H238 WeakPolarHBondContact CB-CD2 3.34Å; A209-H238 PolarHBondContact N-CD2 2.8Å; A209-Q281 PolarHBondContact O-NE2 2.97Å; A209-Q281 VanDerWaalsContact O-NE2 3.14Å; A209-Q281 PolarHBondContact O-OE1 2.69Å
210D81.7Confident82Confident10 Ų1028.7 Ų28.75%0.05317%0.167CC..  trans-78.498.5175.6-177.510.3000110.3F158 Y212 H214 F260F158-D210 HydrophobicContact CE2-CB 4.12Å; F158-D210 HydrophobicContact CZ-CB 4.39Å; D210-Y212 PolarHBondContact O-N 3.26Å; D210-Y212 VanDerWaalsContact OD1-CB 3.27Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.43Å; D210-Y212 PolarHBondContact OD1-N 2.87Å; D210-H214 PolarHBondContact O-CD2 3.25Å; D210-F260 HydrophobicContact CB-CD1 4.38Å; D210-F260 HydrophobicContact CB-CE1 3.79Å
211I81.6Confident80.6Confident1 Ų135.1 Ų35.11%0.00520%0.197CC..Hα-helixtrans-70.6-21.3176.561.6167.3000112.1A209 H214 Y215 P234 L236 L277 Q281 L336A209-I211 PolarHBondContact O-N 3Å; A209-I211 VanDerWaalsContact O-N 3.16Å; I211-H214 PolarHBondContact O-N 3.46Å; I211-Y215 PolarHBondContact O-N 2.88Å; I211-Y215 VanDerWaalsContact O-N 3.07Å; I211-P234 HydrophobicContact CB-CB 4.19Å; I211-P234 HydrophobicContact CB-CG 4.26Å; I211-P234 HydrophobicContact CG2-CB 4.41Å; I211-P234 WeakPolarHBondContact O-CG 3.44Å; I211-L236 HydrophobicContact CG2-CD2 4.42Å; I211-L277 HydrophobicContact CD1-CD2 4.2Å; I211-L277 HydrophobicContact CG1-CD2 3.88Å; I211-Q281 HydrophobicContact CD1-CG 3.67Å; I211-Q281 HydrophobicContact CG1-CG 4.22Å; I211-Q281 HydrophobicContact CG2-CG 4.09Å; I211-L336 HydrophobicContact CD1-CD2 3.96Å; I211-L336 HydrophobicContact CG1-CD2 4.46Å
212Y82.3Confident78.9Confident25 Ų2537.4 Ų37.410%0.09821%0.208CC..Hα-helixtrans-66.5-46.5179.2-178.6-85.8000110.7D210 H214 Y215 D216 P267 R269 L332 P333 L336D210-Y212 PolarHBondContact O-N 3.26Å; D210-Y212 VanDerWaalsContact OD1-CB 3.27Å; D210-Y212 WeakPolarHBondContact OD1-CB 3.43Å; D210-Y212 PolarHBondContact OD1-N 2.87Å; Y212-H214 PolarHBondContact O-N 3.4Å; Y212-H214 VanDerWaalsContact O-N 3.17Å; Y212-Y215 WeakPolarHBondContact O-CB 3.19Å; Y212-Y215 PolarHBondContact O-N 3.47Å; Y212-D216 HydrophobicContact CD1-CB 4.27Å; Y212-D216 HydrophobicContact CE1-CB 3.75Å; Y212-D216 WeakPolarHBondContact O-CB 3.04Å; Y212-D216 PolarHBondContact O-N 3.41Å; Y212-D216 PolarHBondContact OH-OD1 3.39Å; Y212-D216 VanDerWaalsContact OH-OD1 3.06Å; Y212-P267 HydrophobicContact CD1-CG 4.23Å; Y212-P267 HydrophobicContact CE1-CG 3.56Å; Y212-R269 VanDerWaalsContact CE1-CZ 3.49Å; Y212-R269 VanDerWaalsContact CZ-NH1 3.27Å; Y212-R269 PolarHBondContact OH-NH1 3.1Å; Y212-L332 HydrophobicContact CD2-CD2 3.47Å; Y212-L332 VanDerWaalsContact CD2-CD2 3.47Å; Y212-L332 HydrophobicContact CE2-CD2 3.95Å; Y212-L332 HydrophobicContact CG-CD2 4.29Å; Y212-P333 HydrophobicContact CE2-CG 4.43Å; Y212-L336 HydrophobicContact CD2-CD1 3.52Å; Y212-L336 HydrophobicContact CE2-CD1 4.22Å; Y212-L336 HydrophobicContact CG-CD1 4.37Å
213A78.2Confident77Confident10 Ų1042.8 Ų42.88%0.08324%0.236CC..Hα-helixtrans-56.3-34.6177.500000113A217 K262A213-A217 WeakPolarHBondContact O-CB 3.48Å; A213-A217 PolarHBondContact O-N 2.83Å; A213-K262 HydrophobicContact CB-CD 3.82Å
214H76.4Confident75.1Confident95 Ų9549.7 Ų49.744%0.4427%0.273SS..Hα-helixtrans-72.8-40.4174.6-74.2-72.4000112.8D210 I211 Y212 Q218 P234D210-H214 PolarHBondContact O-CD2 3.25Å; I211-H214 PolarHBondContact O-N 3.46Å; Y212-H214 PolarHBondContact O-N 3.4Å; Y212-H214 VanDerWaalsContact O-N 3.17Å; H214-Q218 WeakPolarHBondContact O-CG 3.35Å; H214-Q218 PolarHBondContact O-N 2.67Å; H214-Q218 VanDerWaalsContact O-N 3.15Å; H214-P234 HydrophobicContact CB-CB 4.18Å; H214-P234 HydrophobicContact CB-CG 4.15Å
215Y79.5Confident73Confident17 Ų1755 Ų557%0.06730%0.302CS..Hα-helixtrans-66.8-43.2178.3-177.4-97.1000112I211 Y212 Q218 I219 T231 P333 L336I211-Y215 PolarHBondContact O-N 2.88Å; I211-Y215 VanDerWaalsContact O-N 3.07Å; Y212-Y215 WeakPolarHBondContact O-CB 3.19Å; Y212-Y215 PolarHBondContact O-N 3.47Å; Y215-Q218 PolarHBondContact O-N 2.7Å; Y215-I219 HydrophobicContact CD1-CD1 3.75Å; Y215-I219 HydrophobicContact CD1-CG1 4.47Å; Y215-I219 HydrophobicContact CE1-CD1 3.11Å; Y215-I219 HydrophobicContact CE1-CG1 4.11Å; Y215-I219 HydrophobicContact CE2-CD1 4.46Å; Y215-I219 PolarHBondContact O-N 2.46Å; Y215-T231 HydrophobicContact CD2-CG2 4.26Å; Y215-T231 HydrophobicContact CE2-CG2 4.01Å; Y215-P333 HydrophobicContact CD1-CG 4.02Å; Y215-P333 HydrophobicContact CE1-CB 4.1Å; Y215-P333 HydrophobicContact CE1-CG 3.49Å; Y215-P333 VanDerWaalsContact CE1-CG 3.49Å; Y215-L336 HydrophobicContact CD1-CD1 3.76Å; Y215-L336 HydrophobicContact CD1-CG 4.42Å; Y215-L336 HydrophobicContact CE1-CD1 4.37Å; Y215-L336 HydrophobicContact CG-CD1 3.91Å; Y215-L336 HydrophobicContact CG-CD2 4.47Å; Y215-L336 HydrophobicContact CG-CG 4.39Å
216D76.7Confident70.9Confident40 Ų4064.6 Ų64.621%0.21435%0.346CS..Hα-helixtrans-63.1-44.2178.3-16376.5000111.4Y212 Q218 I219 N220Y212-D216 HydrophobicContact CD1-CB 4.27Å; Y212-D216 HydrophobicContact CE1-CB 3.75Å; Y212-D216 WeakPolarHBondContact O-CB 3.04Å; Y212-D216 PolarHBondContact O-N 3.41Å; Y212-D216 PolarHBondContact OH-OD1 3.39Å; Y212-D216 VanDerWaalsContact OH-OD1 3.06Å; D216-Q218 VanDerWaalsContact C-N 3.32Å; D216-Q218 PolarHBondContact O-N 3.16Å; D216-I219 PolarHBondContact O-N 3Å; D216-N220 WeakPolarHBondContact O-CB 3.15Å; D216-N220 VanDerWaalsContact O-CG 3.29Å; D216-N220 PolarHBondContact O-N 3.14Å; D216-N220 PolarHBondContact O-ND2 3.33Å; D216-N220 VanDerWaalsContact O-ND2 3.09Å; D216-N220 PolarHBondContact OD2-ND2 2.91Å
217A74.4Confident68.9Low45 Ų4566.5 Ų66.537%0.37236%0.361SS..Hα-helixtrans-62.1-36.4174.700000113A213 Q221A213-A217 WeakPolarHBondContact O-CB 3.48Å; A213-A217 PolarHBondContact O-N 2.83Å; A217-Q221 WeakPolarHBondContact O-CG 3.02Å; A217-Q221 PolarHBondContact O-N 2.8Å
218Q72.8Confident67.2Low65 Ų6571.9 Ų71.930%0.30438%0.384SS..Hα-helixtrans-67.8-45.8176.1-76.4175.4-22.300111.6H214 Y215 D216 N220 Q221 D222 T231 S232H214-Q218 WeakPolarHBondContact O-CG 3.35Å; H214-Q218 PolarHBondContact O-N 2.67Å; H214-Q218 VanDerWaalsContact O-N 3.15Å; Y215-Q218 PolarHBondContact O-N 2.7Å; D216-Q218 VanDerWaalsContact C-N 3.32Å; D216-Q218 PolarHBondContact O-N 3.16Å; Q218-N220 VanDerWaalsContact C-N 3.31Å; Q218-N220 PolarHBondContact O-N 2.5Å; Q218-Q221 PolarHBondContact O-N 3.37Å; Q218-Q221 VanDerWaalsContact O-N 3.14Å; Q218-D222 WeakPolarHBondContact O-CB 3.27Å; Q218-D222 VanDerWaalsContact O-CG 3.31Å; Q218-D222 PolarHBondContact O-N 3.03Å; Q218-T231 HydrophobicContact CB-CG2 3.96Å; Q218-S232 PolarHBondContact OE1-O 3.22Å
219I71.4Confident65.7Low47 Ų4776.7 Ų76.724%0.24142%0.417CS..Hα-helixtrans-59.4-43.8175.9-71.9179.4000111.3Y215 D216 Q221 D222 N223 T231Y215-I219 HydrophobicContact CD1-CD1 3.75Å; Y215-I219 HydrophobicContact CD1-CG1 4.47Å; Y215-I219 HydrophobicContact CE1-CD1 3.11Å; Y215-I219 HydrophobicContact CE1-CG1 4.11Å; Y215-I219 HydrophobicContact CE2-CD1 4.46Å; Y215-I219 PolarHBondContact O-N 2.46Å; D216-I219 PolarHBondContact O-N 3Å; I219-Q221 PolarHBondContact O-N 3.28Å; I219-D222 PolarHBondContact O-N 3.4Å; I219-N223 WeakPolarHBondContact O-CB 3.3Å; I219-N223 PolarHBondContact O-N 2.93Å; I219-N223 PolarHBondContact O-ND2 3.38Å; I219-T231 HydrophobicContact CG1-CG2 4.16Å
220N67.6Low64.5Low96 Ų9681.6 Ų81.651%0.51344%0.439SS..Hα-helixtrans-68.1-21.5-179.3-68.9-33.5000113D216 Q218D216-N220 WeakPolarHBondContact O-CB 3.15Å; D216-N220 VanDerWaalsContact O-CG 3.29Å; D216-N220 PolarHBondContact O-N 3.14Å; D216-N220 PolarHBondContact O-ND2 3.33Å; D216-N220 VanDerWaalsContact O-ND2 3.09Å; D216-N220 PolarHBondContact OD2-ND2 2.91Å; Q218-N220 VanDerWaalsContact C-N 3.31Å; Q218-N220 PolarHBondContact O-N 2.5Å
221Q63.1Low63.5Low136 Ų13682.2 Ų82.264%0.63644%0.443SS*.Hα-helixtrans-84.3-45.9171.7-72.717513.400111.7A217 Q218 I219 N223 N224A217-Q221 WeakPolarHBondContact O-CG 3.02Å; A217-Q221 PolarHBondContact O-N 2.8Å; Q218-Q221 PolarHBondContact O-N 3.37Å; Q218-Q221 VanDerWaalsContact O-N 3.14Å; I219-Q221 PolarHBondContact O-N 3.28Å; Q221-N223 VanDerWaalsContact C-N 3.25Å; Q221-N223 PolarHBondContact O-N 3.1Å; Q221-N224 PolarHBondContact O-N 3.46Å
222D57.8Low62.9Low73 Ų7385.9 Ų85.939%0.3947%0.469SS..Hα-helixtrans-64-29.2-179.6-70.2-13000111.7Q218 I219 N224 D225 T231Q218-D222 WeakPolarHBondContact O-CB 3.27Å; Q218-D222 VanDerWaalsContact O-CG 3.31Å; Q218-D222 PolarHBondContact O-N 3.03Å; I219-D222 PolarHBondContact O-N 3.4Å; D222-N224 PolarHBondContact O-N 2.8Å; D222-D225 CarbonylContact O-C 3.48Å; D222-D225 WeakPolarHBondContact O-CA 2.85Å; D222-D225 PolarHBondContact O-N 3.18Å; D222-T231 PolarHBondContact OD2-OG1 3.07Å; D222-T231 VanDerWaalsContact OD2-OG1 3.06Å
223N53.5Low62.6Low112 Ų11287.9 Ų87.960%0.59948%0.481SS*.THydrogen-bonded Turntrans-62.2-13.6177.7-77.2-27.5000114.4I219 Q221I219-N223 WeakPolarHBondContact O-CB 3.3Å; I219-N223 PolarHBondContact O-N 2.93Å; I219-N223 PolarHBondContact O-ND2 3.38Å; Q221-N223 VanDerWaalsContact C-N 3.25Å; Q221-N223 PolarHBondContact O-N 3.1Å
224N52.4Low62.6Low145 Ų14587.8 Ų87.878%0.77548%0.479SS*.THydrogen-bonded Turntrans-81.4-20.4169.8-75.3-23.7000113.1Q221 D222Q221-N224 PolarHBondContact O-N 3.46Å; D222-N224 PolarHBondContact O-N 2.8Å
225D48.1Very low62.5Low124 Ų12486.4 Ų86.466%0.66348%0.481SS*.SBendtrans-115.1101.2178.2-74.3-29.8000109.3D222 S227D222-D225 CarbonylContact O-C 3.48Å; D222-D225 WeakPolarHBondContact O-CA 2.85Å; D222-D225 PolarHBondContact O-N 3.18Å; D225-S227 PolarHBondContact O-N 3.32Å
226Q42.4Very low62.4Low207 Ų20787.1 Ų87.197%0.96749%0.485SS*.  trans-67.739.2-174.9-113.3167.626.600115.1
227S41.1Very low62.2Low91 Ų9194.9 Ų94.964%0.63651%0.512SS*.  trans-122107.8179.461.50000112.1D225D225-S227 PolarHBondContact O-N 3.32Å
228D47.4Very low62Low140 Ų14095.8 Ų95.875%0.74951%0.508SS*.  trans56.3113.8157.8-64.5-30.1000118.8N230D228-N230 PolarHBondContact O-N 2.78Å
229S51.4Low62.1Low100 Ų10092.7 Ų92.770%0.69949%0.494SS*.SBendtrans-45.223.3172.163.30000119.9T231 K335S229-T231 VanDerWaalsContact C-N 3.28Å; S229-T231 PolarHBondContact O-N 3.37Å; S229-K335 PolarHBondContact O-NZ 3.14Å
230N54.5Low62.1Low135 Ų13598.6 Ų98.672%0.72251%0.513SS*.  trans-8929.5179.3-75.5-23.5000113.2D228 S232D228-N230 PolarHBondContact O-N 2.78Å; N230-S232 PolarHBondContact O-N 3.29Å
231T60.2Low62.4Low22 Ų2294.3 Ų94.314%0.13549%0.49CS..  trans-52.8109.8169.2-50.20000108.6Y215 Q218 I219 D222 S229 K335Y215-T231 HydrophobicContact CD2-CG2 4.26Å; Y215-T231 HydrophobicContact CE2-CG2 4.01Å; Q218-T231 HydrophobicContact CB-CG2 3.96Å; I219-T231 HydrophobicContact CG1-CG2 4.16Å; D222-T231 PolarHBondContact OD2-OG1 3.07Å; D222-T231 VanDerWaalsContact OD2-OG1 3.06Å; S229-T231 VanDerWaalsContact C-N 3.28Å; S229-T231 PolarHBondContact O-N 3.37Å; T231-K335 PolarHBondContact O-NZ 3.45Å
232S69.7Low63.2Low78 Ų7887.9 Ų87.955%0.54546%0.46SS..PPolyproline II helixtrans-73.1146.9-174.667.30000110.2Q218 N230Q218-S232 PolarHBondContact OE1-O 3.22Å; N230-S232 PolarHBondContact O-N 3.29Å
233L76.7Confident64Low68 Ų6887.1 Ų87.136%0.35645%0.453SS..PPolyproline II helixtrans-63.4139.9176.4-80.3163.4000110.7S235 K335 L336L233-S235 PolarHBondContact O-N 2.66Å; L233-K335 HydrophobicContact CD2-CB 4.34Å; L233-K335 WeakPolarHBondContact CD2-O 3.5Å; L233-L336 HydrophobicContact CD2-CD2 3.61Å
234P76.6Confident65.1Low7 Ų781.9 Ų81.95%0.04543%0.425CS..PPolyproline II helixtrans-55.7141.6178.4-25.632.9000112.3I211 H214 R284I211-P234 HydrophobicContact CB-CB 4.19Å; I211-P234 HydrophobicContact CB-CG 4.26Å; I211-P234 HydrophobicContact CG2-CB 4.41Å; I211-P234 WeakPolarHBondContact O-CG 3.44Å; H214-P234 HydrophobicContact CB-CB 4.18Å; H214-P234 HydrophobicContact CB-CG 4.15Å; P234-R284 PolarHBondContact O-NH2 3.31Å
235S74.8Confident66.5Low67 Ų6775 Ų7547%0.46939%0.388SS..PPolyproline II helixtrans-63.4144179142.60000112L233 R237 H238L233-S235 PolarHBondContact O-N 2.66Å; S235-R237 WeakPolarHBondContact OG-CG 3.5Å; S235-R237 PolarHBondContact OG-N 2.97Å; S235-H238 PolarHBondContact O-CE1 2.78Å
236L77.7Confident68.1Low31 Ų3170.7 Ų70.716%0.16236%0.364CS..  trans-96.625.3-179.8-60.6179.3000113.7I211 H238 T239 Q281 R284I211-L236 HydrophobicContact CG2-CD2 4.42Å; L236-H238 PolarHBondContact O-N 2.78Å; L236-H238 VanDerWaalsContact O-N 3.1Å; L236-T239 HydrophobicContact CB-CG2 4.03Å; L236-T239 HydrophobicContact CD2-CG2 4.02Å; L236-T239 PolarHBondContact O-N 3.19Å; L236-T239 PolarHBondContact O-OG1 2.73Å; L236-Q281 HydrophobicContact CD2-CB 4.38Å; L236-Q281 HydrophobicContact CD2-CG 3.89Å; L236-R284 HydrophobicContact CD1-CB 3.49Å; L236-R284 VanDerWaalsContact CD1-CB 3.49Å
237R71.6Confident69.9Low203 Ų20361.9 Ų61.977%0.76632%0.322SS*.G310 helixtrans-55.7-31-177.8-81.4-176.1-125.8-165.81.2113.6S235 T239S235-R237 WeakPolarHBondContact OG-CG 3.5Å; S235-R237 PolarHBondContact OG-N 2.97Å; R237-T239 VanDerWaalsContact C-N 3.3Å; R237-T239 PolarHBondContact O-N 3.36Å
238H71.3Confident72Confident65 Ų6557.6 Ų57.630%0.30129%0.292SS..G310 helixtrans-76-12.7178.357.5-78.2000113.9A209 S235 L236 R240 F241 Q281A209-H238 HydrophobicContact CB-CB 4.43Å; A209-H238 WeakPolarHBondContact CB-CD2 3.34Å; A209-H238 PolarHBondContact N-CD2 2.8Å; S235-H238 PolarHBondContact O-CE1 2.78Å; L236-H238 PolarHBondContact O-N 2.78Å; L236-H238 VanDerWaalsContact O-N 3.1Å; H238-R240 VanDerWaalsContact C-N 3.33Å; H238-R240 PolarHBondContact O-N 3.39Å; H238-F241 VanDerWaalsContact O-CD1 3.27Å; H238-F241 WeakPolarHBondContact O-CD1 3.29Å; H238-F241 VanDerWaalsContact O-CE1 3.28Å; H238-F241 WeakPolarHBondContact O-CE1 3.32Å; H238-Q281 PolarHBondContact NE2-OE1 2.87Å
239T75.3Confident73.8Confident0 Ų052 Ų520%026%0.264CS..G310 helixtrans-90.511.2-174.3740000113.7L208 L236 R237 F241 L242 W285L208-T239 HydrophobicContact CD2-CG2 3.71Å; L236-T239 HydrophobicContact CB-CG2 4.03Å; L236-T239 HydrophobicContact CD2-CG2 4.02Å; L236-T239 PolarHBondContact O-N 3.19Å; L236-T239 PolarHBondContact O-OG1 2.73Å; R237-T239 VanDerWaalsContact C-N 3.3Å; R237-T239 PolarHBondContact O-N 3.36Å; T239-F241 PolarHBondContact O-N 2.84Å; T239-L242 HydrophobicContact CG2-CD1 4.31Å; T239-L242 VanDerWaalsContact O-CB 3.24Å; T239-L242 WeakPolarHBondContact O-CB 3.38Å; T239-L242 WeakPolarHBondContact O-CG 3.27Å; T239-L242 PolarHBondContact O-N 2.84Å; T239-W285 VanDerWaalsContact OG1-CE3 3.23Å
240R70.3Confident75.7Confident170 Ų17047.3 Ų47.364%0.64223%0.231SC*.G310 helixtrans-56.7-21.4178.9-74.4-179.4175.4173.6-1.6113.8H238 L242 K243H238-R240 VanDerWaalsContact C-N 3.33Å; H238-R240 PolarHBondContact O-N 3.39Å; R240-L242 PolarHBondContact O-N 3.18Å; R240-K243 VanDerWaalsContact O-CG 3.3Å; R240-K243 WeakPolarHBondContact O-CG 3.41Å
241F75.5Confident77.6Confident7 Ų740.9 Ų40.93%0.03120%0.197CC..G310 helixtrans-72.8-15.3174.268-94.6000113.1I185 L205 P206 L208 H238 T239 K243 H244I185-F241 HydrophobicContact CD1-CB 3.63Å; L205-F241 HydrophobicContact CB-CD2 4.27Å; P206-F241 HydrophobicContact CB-CD1 4.04Å; P206-F241 HydrophobicContact CB-CD2 4.47Å; P206-F241 HydrophobicContact CB-CE1 4.2Å; P206-F241 HydrophobicContact CB-CG 4.16Å; P206-F241 HydrophobicContact CB-CZ 4.48Å; P206-F241 HydrophobicContact CG-CB 4.19Å; P206-F241 HydrophobicContact CG-CD1 4.41Å; P206-F241 HydrophobicContact CG-CG 4.15Å; P206-F241 WeakPolarHBondContact O-CE2 3.23Å; P206-F241 WeakPolarHBondContact O-CZ 3.49Å; L208-F241 HydrophobicContact CB-CZ 4.42Å; L208-F241 HydrophobicContact CD2-CE1 4.06Å; L208-F241 HydrophobicContact CD2-CE2 4.17Å; L208-F241 HydrophobicContact CD2-CZ 3.42Å; L208-F241 VanDerWaalsContact CD2-CZ 3.42Å; L208-F241 HydrophobicContact CG-CE2 4.32Å; L208-F241 HydrophobicContact CG-CZ 3.69Å; H238-F241 VanDerWaalsContact O-CD1 3.27Å; H238-F241 WeakPolarHBondContact O-CD1 3.29Å; H238-F241 VanDerWaalsContact O-CE1 3.28Å; H238-F241 WeakPolarHBondContact O-CE1 3.32Å; T239-F241 PolarHBondContact O-N 2.84Å; F241-K243 PolarHBondContact O-N 2.79Å; F241-H244 WeakPolarHBondContact CA-ND1 3.43Å; F241-H244 VanDerWaalsContact O-CB 3.23Å; F241-H244 WeakPolarHBondContact O-CB 3.4Å; F241-H244 PolarHBondContact O-N 3.21Å; F241-H244 PolarHBondContact O-ND1 2.96Å
242L78.9Confident79.3Confident0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-61.9-23.5177.7-68.8-177.4000113.1I156 L208 T239 R240 H244 V245 E246 M282 W285 L290I156-L242 HydrophobicContact CD1-CD2 3.56Å; L208-L242 HydrophobicContact CD2-CD1 4.26Å; L208-L242 HydrophobicContact CD2-CD2 4.14Å; L208-L242 HydrophobicContact CD2-CG 4.28Å; T239-L242 HydrophobicContact CG2-CD1 4.31Å; T239-L242 VanDerWaalsContact O-CB 3.24Å; T239-L242 WeakPolarHBondContact O-CB 3.38Å; T239-L242 WeakPolarHBondContact O-CG 3.27Å; T239-L242 PolarHBondContact O-N 2.84Å; R240-L242 PolarHBondContact O-N 3.18Å; L242-H244 PolarHBondContact O-N 3.32Å; L242-V245 HydrophobicContact CD2-CG2 3.8Å; L242-V245 WeakPolarHBondContact O-CA 3.27Å; L242-V245 VanDerWaalsContact O-CB 3.23Å; L242-V245 WeakPolarHBondContact O-CB 3.31Å; L242-V245 PolarHBondContact O-N 2.84Å; L242-E246 PolarHBondContact O-N 3.15Å; L242-M282 HydrophobicContact CD1-CG 4.45Å; L242-M282 HydrophobicContact CD2-CG 4.43Å; L242-W285 HydrophobicContact CB-CD2 3.99Å; L242-W285 HydrophobicContact CB-CG 3.79Å; L242-W285 HydrophobicContact CD1-CB 3.63Å; L242-W285 HydrophobicContact CD1-CD2 4.34Å; L242-W285 HydrophobicContact CD1-CG 3.72Å; L242-W285 HydrophobicContact CG-CG 4.4Å; L242-L290 HydrophobicContact CB-CD1 4.34Å
243K75.1Confident80.7Confident58 Ų5836.1 Ų36.125%0.25216%0.164SC..Hα-helixtrans-56.4-19.6167.877.4-174.9177175.10113.9T184 R240 F241 W285T184-K243 WeakPolarHBondContact OG1-CE 3.46Å; T184-K243 PolarHBondContact OG1-NZ 3.44Å; R240-K243 VanDerWaalsContact O-CG 3.3Å; R240-K243 WeakPolarHBondContact O-CG 3.41Å; F241-K243 PolarHBondContact O-N 2.79Å; K243-W285 HydrophobicContact CB-CZ2 4.12Å
244H75.9Confident81.7Confident1 Ų132.9 Ų32.91%0.00515%0.147CC..Hα-helixtrans-83.2-29.8176.2-53.587000111.2M150 T183 T184 I185 L205 F241 L242 E246 R247M150-H244 HydrophobicContact CE-CB 3.49Å; M150-H244 VanDerWaalsContact CE-CB 3.49Å; M150-H244 WeakPolarHBondContact CE-O 3.44Å; M150-H244 HydrophobicContact SD-CB 3.96Å; T183-H244 VanDerWaalsContact CB-CD2 3.47Å; T183-H244 WeakPolarHBondContact CB-CD2 3.46Å; T183-H244 VanDerWaalsContact CB-NE2 3.3Å; T183-H244 WeakPolarHBondContact CB-NE2 3.22Å; T183-H244 WeakPolarHBondContact CG2-CD2 3.32Å; T184-H244 PolarHBondContact N-NE2 3.32Å; I185-H244 PolarHBondContact O-NE2 2.65Å; L205-H244 HydrophobicContact CD2-CB 3.85Å; F241-H244 WeakPolarHBondContact CA-ND1 3.43Å; F241-H244 VanDerWaalsContact O-CB 3.23Å; F241-H244 WeakPolarHBondContact O-CB 3.4Å; F241-H244 PolarHBondContact O-N 3.21Å; F241-H244 PolarHBondContact O-ND1 2.96Å; L242-H244 PolarHBondContact O-N 3.32Å; H244-E246 PolarHBondContact O-N 3.32Å; H244-R247 PolarHBondContact O-N 3.12Å
245V82.7Confident82.7Confident0 Ų032.6 Ų32.60%015%0.145CC..Hα-helixtrans-62.6-31.2168.8-173.30000110.3I156 L205 L242 R247 S248 I251 L290 K293I156-V245 HydrophobicContact CD1-CG2 4.22Å; L205-V245 HydrophobicContact CD1-CB 4.33Å; L205-V245 HydrophobicContact CD1-CG2 3.31Å; L242-V245 HydrophobicContact CD2-CG2 3.8Å; L242-V245 WeakPolarHBondContact O-CA 3.27Å; L242-V245 VanDerWaalsContact O-CB 3.23Å; L242-V245 WeakPolarHBondContact O-CB 3.31Å; L242-V245 PolarHBondContact O-N 2.84Å; V245-R247 PolarHBondContact O-N 3.32Å; V245-S248 PolarHBondContact O-N 2.92Å; V245-S248 PolarHBondContact O-OG 3.34Å; V245-I251 HydrophobicContact CG1-CD1 3.46Å; V245-I251 VanDerWaalsContact CG1-CD1 3.46Å; V245-I251 HydrophobicContact CG1-CG1 3.78Å; V245-L290 HydrophobicContact CB-CD1 4.33Å; V245-L290 HydrophobicContact CB-CD2 4.19Å; V245-L290 HydrophobicContact CG1-CD1 4.37Å; V245-L290 HydrophobicContact CG1-CD2 3.9Å; V245-K293 PolarHBondContact O-NZ 3.4Å
246E80.2Confident83.7Confident35 Ų3530.9 Ų30.916%0.16413%0.131CC..THydrogen-bonded Turntrans-61.3-24.3172.3-66.2173.2-153.600112.2F5 L242 H244 W285 L290 K293F5-E246 VanDerWaalsContact CE1-O 3.3Å; F5-E246 WeakPolarHBondContact CE1-O 3.33Å; F5-E246 HydrophobicContact CE2-CB 4.08Å; F5-E246 HydrophobicContact CE2-CG 4.4Å; F5-E246 HydrophobicContact CZ-CB 4.26Å; F5-E246 WeakPolarHBondContact CZ-O 3.38Å; L242-E246 PolarHBondContact O-N 3.15Å; H244-E246 PolarHBondContact O-N 3.32Å; E246-W285 PolarHBondContact OE1-NE1 3.15Å; E246-W285 VanDerWaalsContact OE1-NE1 3.14Å; E246-L290 HydrophobicContact CB-CD2 4.47Å; E246-L290 HydrophobicContact CG-CD2 3.68Å; E246-L290 HydrophobicContact CG-CG 4.36Å; E246-K293 PolarHBondContact O-NZ 2.95Å
247R80.9Confident84.6Confident22 Ų2229.4 Ų29.48%0.08312%0.123CC..THydrogen-bonded Turntrans-99.716.1-180-56.1-171.2174.6121.4-11.2114.3A86 L149 M150 F182 H244 V245A86-R247 PolarHBondContact O-NH2 2.77Å; L149-R247 CarbonylContact C-O 3.58Å; L149-R247 VanDerWaalsContact CA-O 3.27Å; L149-R247 WeakPolarHBondContact CA-O 3.3Å; L149-R247 WeakPolarHBondContact CD2-O 3.18Å; M150-R247 HydrophobicContact CE-CB 3.68Å; M150-R247 HydrophobicContact CE-CG 4.3Å; M150-R247 HydrophobicContact CG-CB 4.06Å; M150-R247 WeakPolarHBondContact CG-O 3.26Å; M150-R247 PolarHBondContact N-O 3.28Å; F182-R247 PolarHBondContact O-NH1 3.29Å; F182-R247 PolarHBondContact O-NH2 2.66Å; H244-R247 PolarHBondContact O-N 3.12Å; V245-R247 PolarHBondContact O-N 3.32Å
248S85Confident85.7Confident0 Ų022 Ų220%010%0.098CC..EExtended strand (participates in β ladder)trans-106.1150165.850.90000111.4A151 S154 V245 K293A151-S248 VanDerWaalsContact O-CA 3.23Å; A151-S248 WeakPolarHBondContact O-CA 3.34Å; S154-S248 VanDerWaalsContact CB-OG 3.25Å; S154-S248 WeakPolarHBondContact CB-OG 3.43Å; S154-S248 PolarHBondContact OG-OG 2.96Å; V245-S248 PolarHBondContact O-N 2.92Å; V245-S248 PolarHBondContact O-OG 3.34Å; S248-K293 PolarHBondContact O-NZ 3.47Å
249S84.9Confident86.7Confident23 Ų2319.2 Ų19.216%0.1619%0.087CC..EExtended strand (participates in β ladder)trans-68.4-43.2175.6-64.90000111.5L149 A151 D152L149-S249 VanDerWaalsContact CD1-OG 3.29Å; L149-S249 WeakPolarHBondContact CD1-OG 3.17Å; A151-S249 PolarHBondContact O-N 2.9Å; D152-S249 WeakPolarHBondContact O-CB 3.34Å; D152-S249 PolarHBondContact O-N 3.47Å
250C92Very high87.5Confident2 Ų220.7 Ų20.71%0.0149%0.094CC..EExtended strand (participates in β ladder)trans-133.6159.4-170.8-53.10000111.2D152 Y153 S154 P294 I372D152-C250 PolarHBondContact O-N 3.47Å; Y153-C250 WeakPolarHBondContact CA-O 3.31Å; Y153-C250 HydrophobicContact CD1-CB 3.4Å; Y153-C250 VanDerWaalsContact CD1-CB 3.4Å; Y153-C250 HydrophobicContact CE1-CB 3.4Å; Y153-C250 VanDerWaalsContact CE1-CB 3.4Å; Y153-C250 HydrophobicContact CG-CB 4.35Å; S154-C250 PolarHBondContact N-O 3.24Å; S154-C250 PolarHBondContact OG-O 3.04Å; C250-P294 WeakPolarHBondContact CA-O 3.35Å; C250-I372 WeakPolarHBondContact SG-CD1 3.34Å
251I94.7Very high88.3Confident0 Ų015.6 Ų15.60%08%0.084CC..EExtended strand (participates in β ladder)trans-116.2132.4-177.5-56.8179.9000109.6I156 V245 M282 L290 K293 P294 M295 A296I156-I251 HydrophobicContact CB-CG2 4.45Å; I156-I251 HydrophobicContact CG2-CG2 3.5Å; I156-I251 VanDerWaalsContact CG2-CG2 3.5Å; V245-I251 HydrophobicContact CG1-CD1 3.46Å; V245-I251 VanDerWaalsContact CG1-CD1 3.46Å; V245-I251 HydrophobicContact CG1-CG1 3.78Å; I251-M282 HydrophobicContact CD1-CE 3.46Å; I251-M282 VanDerWaalsContact CD1-CE 3.46Å; I251-M282 HydrophobicContact CG2-CE 4.47Å; I251-L290 WeakPolarHBondContact CD1-O 3.24Å; I251-K293 HydrophobicContact CD1-CB 3.98Å; I251-K293 HydrophobicContact CD1-CD 4.13Å; I251-K293 HydrophobicContact CG1-CB 4.2Å; I251-K293 HydrophobicContact CG1-CD 4.29Å; I251-P294 PolarHBondContact N-O 2.77Å; I251-M295 HydrophobicContact CB-CB 4.41Å; I251-M295 HydrophobicContact CB-CE 4.2Å; I251-M295 HydrophobicContact CB-CG 4.01Å; I251-M295 HydrophobicContact CD1-CE 3.98Å; I251-M295 HydrophobicContact CG2-CE 4.09Å; I251-M295 HydrophobicContact CG2-CG 4.08Å; I251-M295 HydrophobicContact CG2-SD 4.39Å; I251-M295 VanDerWaalsContact O-CA 3.3Å; I251-M295 WeakPolarHBondContact O-CA 3.46Å; I251-A296 PolarHBondContact O-N 3.03Å
252L96.5Very high88.5Confident0 Ų020.1 Ų20.10%010%0.103CC..EExtended strand (participates in β ladder)trans-111103.5170.7-63.4-178.9000108.3Y153 S154 L155 I156 V254 A296 I298 L365 W368Y153-L252 HydrophobicContact CD1-CD1 3.94Å; Y153-L252 HydrophobicContact CD1-CD2 3.68Å; Y153-L252 HydrophobicContact CD1-CG 3.6Å; Y153-L252 HydrophobicContact CE1-CD2 3.95Å; Y153-L252 HydrophobicContact CE1-CG 4.37Å; Y153-L252 HydrophobicContact CG-CD1 3.96Å; Y153-L252 HydrophobicContact CG-CG 4.09Å; S154-L252 PolarHBondContact O-N 2.99Å; L155-L252 WeakPolarHBondContact CA-O 3.32Å; L155-L252 HydrophobicContact CD2-CB 3.78Å; L155-L252 HydrophobicContact CD2-CD1 3.87Å; L155-L252 HydrophobicContact CD2-CG 4.47Å; I156-L252 PolarHBondContact N-O 2.96Å; L252-V254 PolarHBondContact O-N 2.77Å; L252-A296 HydrophobicContact CD2-CB 3.92Å; L252-I298 HydrophobicContact CB-CD1 4.14Å; L252-I298 HydrophobicContact CD1-CD1 4.23Å; L252-I298 HydrophobicContact CD2-CD1 4.38Å; L252-I298 HydrophobicContact CG-CD1 4.47Å; L252-L365 HydrophobicContact CD1-CD1 4.31Å; L252-L365 HydrophobicContact CD1-CD2 3.76Å; L252-L365 HydrophobicContact CD2-CD2 3.56Å; L252-L365 HydrophobicContact CG-CD2 4.26Å; L252-W368 HydrophobicContact CD2-CZ3 4.34Å
253L97.2Very high88.5Confident0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-78.4110.4175.9178.664.1000109.1I156 L255 A275 I278 M295 A296 C297 I298 F344I156-L253 HydrophobicContact CG2-CB 4.36Å; I156-L253 HydrophobicContact CG2-CD1 3.91Å; I156-L253 CarbonylContact O-C 3.55Å; L253-L255 HydrophobicContact CD1-CD2 4.07Å; L253-L255 HydrophobicContact CD2-CD1 4.38Å; L253-L255 HydrophobicContact CD2-CD2 4.28Å; L253-L255 HydrophobicContact CD2-CG 4.43Å; L253-L255 HydrophobicContact CG-CD2 3.99Å; L253-L255 HydrophobicContact CG-CG 4.13Å; L253-A275 HydrophobicContact CD2-CB 4.09Å; L253-I278 HydrophobicContact CD1-CB 4.12Å; L253-I278 HydrophobicContact CD1-CD1 3.65Å; L253-I278 HydrophobicContact CD1-CG1 4.48Å; L253-I278 HydrophobicContact CD1-CG2 3.6Å; L253-M295 HydrophobicContact CB-SD 4.36Å; L253-A296 PolarHBondContact N-O 3.33Å; L253-C297 CarbonylContact O-C 3.56Å; L253-C297 WeakPolarHBondContact O-CA 3.28Å; L253-I298 PolarHBondContact O-N 2.82Å; L253-F344 HydrophobicContact CB-CE1 4.33Å; L253-F344 HydrophobicContact CD2-CE1 3.82Å; L253-F344 HydrophobicContact CD2-CZ 3.67Å
254V97.9Very high88.5Confident0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-99.6119.2179.3-171.40000109.4L155 I156 G157 A161 K163 L166 L252 N300L155-V254 HydrophobicContact CB-CG2 4.35Å; L155-V254 HydrophobicContact CD2-CG2 3.67Å; I156-V254 PolarHBondContact O-N 3.48Å; G157-V254 WeakPolarHBondContact CA-O 3.4Å; A161-V254 HydrophobicContact CB-CG1 4.23Å; A161-V254 WeakPolarHBondContact O-CG1 3.41Å; K163-V254 HydrophobicContact CG-CB 4.01Å; K163-V254 HydrophobicContact CG-CG1 4.34Å; K163-V254 HydrophobicContact CG-CG2 4.19Å; L166-V254 HydrophobicContact CD2-CG1 4.28Å; L166-V254 HydrophobicContact CD2-CG2 3.88Å; L252-V254 PolarHBondContact O-N 2.77Å; V254-N300 HydrophobicContact CG1-CB 4.14Å
255L97.6Very high88.6Confident1 Ų138.1 Ų38.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-116143.5177.9-55.2176.2000109L253 V274 A275 I278 C297 I298 L299 N300 L318L253-L255 HydrophobicContact CD1-CD2 4.07Å; L253-L255 HydrophobicContact CD2-CD1 4.38Å; L253-L255 HydrophobicContact CD2-CD2 4.28Å; L253-L255 HydrophobicContact CD2-CG 4.43Å; L253-L255 HydrophobicContact CG-CD2 3.99Å; L253-L255 HydrophobicContact CG-CG 4.13Å; L255-V274 HydrophobicContact CD2-CB 4.35Å; L255-V274 HydrophobicContact CD2-CG1 3.84Å; L255-A275 HydrophobicContact CD1-CB 3.79Å; L255-A275 HydrophobicContact CD2-CB 4.24Å; L255-I278 HydrophobicContact CD2-CD1 4.03Å; L255-C297 VanDerWaalsContact CD1-SG 3.51Å; L255-I298 PolarHBondContact N-O 3.07Å; L255-L299 HydrophobicContact CB-CD2 4.08Å; L255-L299 HydrophobicContact CD1-CD2 4.09Å; L255-N300 WeakPolarHBondContact O-CB 3.34Å; L255-N300 PolarHBondContact O-N 3.31Å; L255-L318 HydrophobicContact CD1-CD1 4.18Å; L255-L318 HydrophobicContact CD1-CD2 4.48Å
256D96.8Very high88.4Confident30 Ų3039.1 Ų39.116%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-77.6126.8164.3-172.3-29.1000107.7L258 G259 A271 K301D256-L258 PolarHBondContact O-N 3.31Å; D256-L258 PolarHBondContact OD1-N 3.48Å; D256-L258 VanDerWaalsContact OD1-N 3.1Å; D256-G259 WeakPolarHBondContact CB-O 3.23Å; D256-G259 WeakPolarHBondContact O-CA 3.45Å; D256-G259 PolarHBondContact O-N 2.95Å; D256-A271 WeakPolarHBondContact O-CB 3.41Å; D256-K301 WeakPolarHBondContact OD2-CD 3.23Å; D256-K301 VanDerWaalsContact OD2-CE 3.29Å; D256-K301 WeakPolarHBondContact OD2-CE 3.34Å; D256-K301 IonicContact OD2-NZ 2.68Å; D256-K301 PolarHBondContact OD2-NZ 3.46Å
257S96Very high88.5Confident0 Ų039.7 Ų39.70%021%0.209CC..THydrogen-bonded Turntrans-59.3-31.3-176.8-60.50000112.8G259 N300S257-G259 PolarHBondContact O-N 3.5Å; S257-N300 WeakPolarHBondContact CB-O 3.24Å; S257-N300 PolarHBondContact N-O 3.12Å; S257-N300 PolarHBondContact OG-O 2.68Å
258L94.7Very high88.9Confident47 Ų4744.7 Ų44.725%0.24623%0.231CC..THydrogen-bonded Turntrans-84.23.9176.9-67.8176.4000113.2D256 K268 T304 A307 E310D256-L258 PolarHBondContact O-N 3.31Å; D256-L258 PolarHBondContact OD1-N 3.48Å; D256-L258 VanDerWaalsContact OD1-N 3.1Å; L258-K268 WeakPolarHBondContact O-CE 3.39Å; L258-K268 PolarHBondContact O-NZ 3.38Å; L258-T304 HydrophobicContact CD1-CG2 3.59Å; L258-A307 HydrophobicContact CD1-CB 4.31Å; L258-A307 HydrophobicContact CD2-CB 3.97Å; L258-A307 HydrophobicContact CG-CB 3.83Å; L258-E310 HydrophobicContact CD2-CB 4.44Å; L258-E310 HydrophobicContact CD2-CG 4.17Å
259G92.7Very high89.2Confident7 Ų745.3 Ų45.37%0.07223%0.233CC..  trans83.6-154.2-177.900000113.6D256 S257 R269D256-G259 WeakPolarHBondContact CB-O 3.23Å; D256-G259 WeakPolarHBondContact O-CA 3.45Å; D256-G259 PolarHBondContact O-N 2.95Å; S257-G259 PolarHBondContact O-N 3.5Å; G259-R269 CarbonylContact C-O 3.59Å; G259-R269 WeakPolarHBondContact CA-O 3.48Å
260F92.1Very high89.7Confident31 Ų3145.6 Ų45.614%0.13623%0.233CC..BIsolated β-bridgetrans-138.5143.7-174.9-176.8-99.3000112.1F158 P159 D210 K262 R269 V274F158-F260 HydrophobicContact CB-CD2 3.96Å; F158-F260 HydrophobicContact CB-CE2 4.08Å; F158-F260 HydrophobicContact CB-CG 4.42Å; F158-F260 HydrophobicContact CD2-CB 3.91Å; F158-F260 AromaticContact CD2-CD1 3.55Å; F158-F260 HydrophobicContact CD2-CD1 3.55Å; F158-F260 AromaticContact CD2-CD2 3.92Å; F158-F260 HydrophobicContact CD2-CD2 3.92Å; F158-F260 AromaticContact CD2-CE1 3.97Å; F158-F260 HydrophobicContact CD2-CE1 3.97Å; F158-F260 HydrophobicContact CD2-CE2 4.31Å; F158-F260 AromaticContact CD2-CG 3.52Å; F158-F260 HydrophobicContact CD2-CG 3.52Å; F158-F260 HydrophobicContact CD2-CZ 4.34Å; F158-F260 AromaticContact CE2-CD1 3.94Å; F158-F260 HydrophobicContact CE2-CD1 3.94Å; F158-F260 HydrophobicContact CE2-CE1 4.4Å; F158-F260 HydrophobicContact CE2-CG 4.28Å; F158-F260 HydrophobicContact CG-CD2 4.47Å; F158-F260 HydrophobicContact CG-CG 4.47Å; P159-F260 HydrophobicContact CB-CE2 4.48Å; P159-F260 WeakPolarHBondContact O-CE2 3.3Å; D210-F260 HydrophobicContact CB-CD1 4.38Å; D210-F260 HydrophobicContact CB-CE1 3.79Å; F260-K262 HydrophobicContact CE1-CB 3.97Å; F260-K262 HydrophobicContact CZ-CB 4.5Å; F260-R269 PolarHBondContact N-O 2.95Å; F260-R269 PolarHBondContact O-N 3.39Å; F260-V274 HydrophobicContact CB-CG2 3.57Å
261C86.4Confident89.9Confident63 Ų6345.6 Ų45.643%0.42623%0.233SC..  trans-139.2123171.7-166.30000108.1D263 S266C261-D263 PolarHBondContact SG-O 3.01Å; C261-S266 PolarHBondContact SG-O 3.43Å; C261-S266 VanDerWaalsContact SG-O 3.37Å
262K79.9Confident89.9Confident102 Ų10245.6 Ų45.644%0.44323%0.233SC..SBendtrans-70.4-46.6-176.3-178.4-173.4172.1-173.20111.8A213 F260A213-K262 HydrophobicContact CB-CD 3.82Å; F260-K262 HydrophobicContact CE1-CB 3.97Å; F260-K262 HydrophobicContact CZ-CB 4.5Å
263D78.9Confident89.9Confident70 Ų7045.6 Ų45.637%0.37423%0.233SC..SBendtrans-154.8175.2-179.354.747.3000109.4C261 L265 S266C261-D263 PolarHBondContact SG-O 3.01Å; D263-L265 PolarHBondContact O-N 2.65Å; D263-L265 VanDerWaalsContact O-N 3.15Å; D263-L265 PolarHBondContact OD1-N 3.47Å; D263-S266 VanDerWaalsContact CG-OG 3.25Å; D263-S266 PolarHBondContact O-N 2.84Å; D263-S266 VanDerWaalsContact OD1-CB 3.32Å; D263-S266 WeakPolarHBondContact OD1-CB 3.44Å; D263-S266 PolarHBondContact OD1-N 2.98Å; D263-S266 PolarHBondContact OD1-OG 3.24Å; D263-S266 PolarHBondContact OD2-OG 3.33Å
264Q76.2Confident89.8Confident200 Ų20045.9 Ų45.994%0.93524%0.235SC*.THydrogen-bonded Turntrans-66.1-14.1-176.8-64.4177.73.400114.2
265L76.8Confident89.8Confident168 Ų16845.9 Ų45.988%0.8824%0.235SC*.THydrogen-bonded Turntrans-99.3-21-177.2-60.6173.7000112D263D263-L265 PolarHBondContact O-N 2.65Å; D263-L265 VanDerWaalsContact O-N 3.15Å; D263-L265 PolarHBondContact OD1-N 3.47Å
266S78.5Confident89.7Confident20 Ų2045.8 Ų45.814%0.1424%0.235CC..SBendtrans-82.2140.1-178.4-60.70000111C261 D263 K268C261-S266 PolarHBondContact SG-O 3.43Å; C261-S266 VanDerWaalsContact SG-O 3.37Å; D263-S266 VanDerWaalsContact CG-OG 3.25Å; D263-S266 PolarHBondContact O-N 2.84Å; D263-S266 VanDerWaalsContact OD1-CB 3.32Å; D263-S266 WeakPolarHBondContact OD1-CB 3.44Å; D263-S266 PolarHBondContact OD1-N 2.98Å; D263-S266 PolarHBondContact OD1-OG 3.24Å; D263-S266 PolarHBondContact OD2-OG 3.33Å; S266-K268 PolarHBondContact O-N 3.12Å
267P83.1Confident89.6Confident48 Ų4844.4 Ų44.431%0.31223%0.227SC..PPolyproline II helixtrans-65.1132.5177.226.5-34.1000111Y212 R269Y212-P267 HydrophobicContact CD1-CG 4.23Å; Y212-P267 HydrophobicContact CE1-CG 3.56Å; P267-R269 WeakPolarHBondContact O-CD 3.37Å; P267-R269 PolarHBondContact O-N 2.99Å
268K88.6Confident89.5Confident126 Ų12644.4 Ų44.455%0.54823%0.227SC..PPolyproline II helixtrans-62.8134.1174.8-174.3-177.7177.7-168.50109.8L258 S266L258-K268 WeakPolarHBondContact O-CE 3.39Å; L258-K268 PolarHBondContact O-NZ 3.38Å; S266-K268 PolarHBondContact O-N 3.12Å
269R91.9Very high89.5Confident13 Ų1342.1 Ų42.15%0.04922%0.215CC..BIsolated β-bridgetrans-107.3135.1174.1-46.1-50.1-77.3170.2-0.8108.9Y212 G259 F260 P267 A273 V274 Q331Y212-R269 VanDerWaalsContact CE1-CZ 3.49Å; Y212-R269 VanDerWaalsContact CZ-NH1 3.27Å; Y212-R269 PolarHBondContact OH-NH1 3.1Å; G259-R269 CarbonylContact C-O 3.59Å; G259-R269 WeakPolarHBondContact CA-O 3.48Å; F260-R269 PolarHBondContact N-O 2.95Å; F260-R269 PolarHBondContact O-N 3.39Å; P267-R269 WeakPolarHBondContact O-CD 3.37Å; P267-R269 PolarHBondContact O-N 2.99Å; R269-A273 HydrophobicContact CB-CB 4.05Å; R269-V274 HydrophobicContact CB-CG2 4.17Å; R269-Q331 PolarHBondContact NH2-O 2.95Å
270N94.4Very high89.5Confident30 Ų3042.1 Ų42.116%0.1621%0.214CC..  trans-68.3165172.162.831000110.9L272 A273 V274 Y329N270-L272 VanDerWaalsContact C-N 3.25Å; N270-L272 PolarHBondContact O-N 3.19Å; N270-L272 PolarHBondContact OD1-N 3.3Å; N270-A273 WeakPolarHBondContact O-CB 3.39Å; N270-A273 PolarHBondContact O-N 3.09Å; N270-A273 VanDerWaalsContact O-N 3.16Å; N270-A273 VanDerWaalsContact OD1-CB 3.23Å; N270-A273 WeakPolarHBondContact OD1-CB 3.32Å; N270-A273 PolarHBondContact OD1-N 3.39Å; N270-V274 WeakPolarHBondContact O-CG2 3.46Å; N270-V274 PolarHBondContact O-N 2.92Å; N270-Y329 VanDerWaalsContact ND2-CE1 3.29Å; N270-Y329 WeakPolarHBondContact ND2-CE1 3.38Å; N270-Y329 PolarHBondContact ND2-O 3.07Å
271A96.1Very high89.5Confident1 Ų140.7 Ų40.71%0.00821%0.207CC..Hα-helixtrans-61.5-33.7-175.400000112.6D256 V274 A275 L299 T314D256-A271 WeakPolarHBondContact O-CB 3.41Å; A271-V274 WeakPolarHBondContact O-CB 3.25Å; A271-V274 PolarHBondContact O-N 3.31Å; A271-A275 PolarHBondContact O-N 3.39Å; A271-L299 HydrophobicContact CB-CD2 4.37Å; A271-T314 HydrophobicContact CB-CG2 3.61Å
272L96.6Very high89.7Confident0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-62.9-46.2174-177.569.5000112.2N270 V274 A275 Y276 T314 W317 L318 M321 A326 Y329N270-L272 VanDerWaalsContact C-N 3.25Å; N270-L272 PolarHBondContact O-N 3.19Å; N270-L272 PolarHBondContact OD1-N 3.3Å; L272-V274 VanDerWaalsContact C-N 3.29Å; L272-V274 PolarHBondContact O-N 2.91Å; L272-A275 VanDerWaalsContact O-CB 3.32Å; L272-A275 WeakPolarHBondContact O-CB 3.43Å; L272-A275 PolarHBondContact O-N 3.02Å; L272-A275 VanDerWaalsContact O-N 3.12Å; L272-Y276 HydrophobicContact CD1-CD2 4.46Å; L272-Y276 HydrophobicContact CD1-CE2 3.97Å; L272-Y276 HydrophobicContact CD2-CE2 3.9Å; L272-Y276 HydrophobicContact CG-CD2 4.03Å; L272-Y276 HydrophobicContact CG-CE2 3.67Å; L272-Y276 WeakPolarHBondContact O-CD2 2.92Å; L272-Y276 PolarHBondContact O-N 3.22Å; L272-T314 HydrophobicContact CB-CG2 4.48Å; L272-W317 HydrophobicContact CD1-CB 4.01Å; L272-W317 HydrophobicContact CD2-CB 3.61Å; L272-W317 HydrophobicContact CD2-CG 4.12Å; L272-W317 HydrophobicContact CG-CB 4.32Å; L272-L318 HydrophobicContact CD1-CD2 3.77Å; L272-L318 HydrophobicContact CD1-CG 4.15Å; L272-M321 HydrophobicContact CD1-CG 4.21Å; L272-A326 HydrophobicContact CD2-CB 4.22Å; L272-A326 VanDerWaalsContact CD2-O 3.24Å; L272-A326 WeakPolarHBondContact CD2-O 3.49Å; L272-Y329 HydrophobicContact CB-CD1 4.42Å; L272-Y329 HydrophobicContact CD2-CD1 3.65Å; L272-Y329 HydrophobicContact CD2-CE1 4.47Å; L272-Y329 HydrophobicContact CD2-CG 4.5Å
273A95.6Very high90.3Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-60.6-41.4176.200000111.1R269 N270 A275 Y276 L277 S330 L332R269-A273 HydrophobicContact CB-CB 4.05Å; N270-A273 WeakPolarHBondContact O-CB 3.39Å; N270-A273 PolarHBondContact O-N 3.09Å; N270-A273 VanDerWaalsContact O-N 3.16Å; N270-A273 VanDerWaalsContact OD1-CB 3.23Å; N270-A273 WeakPolarHBondContact OD1-CB 3.32Å; N270-A273 PolarHBondContact OD1-N 3.39Å; A273-A275 VanDerWaalsContact C-N 3.32Å; A273-A275 PolarHBondContact O-N 3.25Å; A273-Y276 PolarHBondContact O-N 2.88Å; A273-L277 VanDerWaalsContact O-CG 3.26Å; A273-L277 WeakPolarHBondContact O-CG 3.32Å; A273-L277 PolarHBondContact O-N 2.97Å; A273-S330 WeakPolarHBondContact CB-O 3.23Å; A273-L332 HydrophobicContact CB-CD1 3.95Å; A273-L332 HydrophobicContact CB-CD2 4.3Å; A273-L332 HydrophobicContact CB-CG 4Å
274V95.7Very high90.8Very high6 Ų633.6 Ų33.64%0.03616%0.164CC..Hα-helixtrans-59.9-43.5173.6175.70000111.1F158 L255 F260 R269 N270 A271 L272 L277 I278F158-V274 HydrophobicContact CB-CG1 4.4Å; F158-V274 HydrophobicContact CD1-CG1 4.21Å; F158-V274 HydrophobicContact CD2-CB 4.42Å; F158-V274 HydrophobicContact CD2-CG1 3.54Å; F158-V274 HydrophobicContact CD2-CG2 4.11Å; F158-V274 HydrophobicContact CE1-CG1 4.42Å; F158-V274 HydrophobicContact CE2-CB 4.35Å; F158-V274 HydrophobicContact CE2-CG1 3.79Å; F158-V274 HydrophobicContact CE2-CG2 4.06Å; F158-V274 HydrophobicContact CG-CG1 3.79Å; F158-V274 HydrophobicContact CZ-CG1 4.23Å; L255-V274 HydrophobicContact CD2-CB 4.35Å; L255-V274 HydrophobicContact CD2-CG1 3.84Å; F260-V274 HydrophobicContact CB-CG2 3.57Å; R269-V274 HydrophobicContact CB-CG2 4.17Å; N270-V274 WeakPolarHBondContact O-CG2 3.46Å; N270-V274 PolarHBondContact O-N 2.92Å; A271-V274 WeakPolarHBondContact O-CB 3.25Å; A271-V274 PolarHBondContact O-N 3.31Å; L272-V274 VanDerWaalsContact C-N 3.29Å; L272-V274 PolarHBondContact O-N 2.91Å; V274-L277 PolarHBondContact O-N 2.87Å; V274-I278 HydrophobicContact CG1-CD1 3.77Å; V274-I278 HydrophobicContact CG1-CG1 4.47Å; V274-I278 WeakPolarHBondContact O-CG1 2.73Å; V274-I278 PolarHBondContact O-N 3.43Å
275A96.6Very high91.2Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-57.8-51.6175.700000111.4L253 L255 A271 L272 A273 L277 I278 L279 L318L253-A275 HydrophobicContact CD2-CB 4.09Å; L255-A275 HydrophobicContact CD1-CB 3.79Å; L255-A275 HydrophobicContact CD2-CB 4.24Å; A271-A275 PolarHBondContact O-N 3.39Å; L272-A275 VanDerWaalsContact O-CB 3.32Å; L272-A275 WeakPolarHBondContact O-CB 3.43Å; L272-A275 PolarHBondContact O-N 3.02Å; L272-A275 VanDerWaalsContact O-N 3.12Å; A273-A275 VanDerWaalsContact C-N 3.32Å; A273-A275 PolarHBondContact O-N 3.25Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.98Å; A275-I278 PolarHBondContact O-N 2.98Å; A275-I278 VanDerWaalsContact O-N 3.16Å; A275-L279 VanDerWaalsContact O-CG 3.23Å; A275-L279 WeakPolarHBondContact O-CG 3.44Å; A275-L279 PolarHBondContact O-N 2.87Å; A275-L318 HydrophobicContact CB-CD2 3.76Å
276Y96.2Very high91.4Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-58.3-42.3177.2-75.7-50.5000112.8L272 A273 I278 L279 N280 M321 A326 L332 L337 P338 T341L272-Y276 HydrophobicContact CD1-CD2 4.46Å; L272-Y276 HydrophobicContact CD1-CE2 3.97Å; L272-Y276 HydrophobicContact CD2-CE2 3.9Å; L272-Y276 HydrophobicContact CG-CD2 4.03Å; L272-Y276 HydrophobicContact CG-CE2 3.67Å; L272-Y276 WeakPolarHBondContact O-CD2 2.92Å; L272-Y276 PolarHBondContact O-N 3.22Å; A273-Y276 PolarHBondContact O-N 2.88Å; Y276-I278 VanDerWaalsContact C-N 3.33Å; Y276-I278 PolarHBondContact O-N 2.89Å; Y276-L279 PolarHBondContact O-N 3.07Å; Y276-N280 VanDerWaalsContact O-CB 3.28Å; Y276-N280 WeakPolarHBondContact O-CB 2.81Å; Y276-N280 PolarHBondContact O-N 3.01Å; Y276-M321 HydrophobicContact CE1-CB 4Å; Y276-M321 HydrophobicContact CE1-CG 4.12Å; Y276-M321 HydrophobicContact CE1-SD 4.31Å; Y276-M321 WeakPolarHBondContact OH-CA 3.27Å; Y276-M321 PolarHBondContact OH-O 2.84Å; Y276-A326 WeakPolarHBondContact OH-CB 3.23Å; Y276-L332 HydrophobicContact CD2-CD1 4.29Å; Y276-L332 HydrophobicContact CG-CD1 4.46Å; Y276-L337 HydrophobicContact CD1-CD2 4.38Å; Y276-L337 HydrophobicContact CD2-CD2 3.88Å; Y276-L337 HydrophobicContact CE2-CD2 4.27Å; Y276-L337 HydrophobicContact CG-CD2 3.93Å; Y276-P338 HydrophobicContact CD1-CG 3.7Å; Y276-P338 HydrophobicContact CE1-CG 4.42Å; Y276-T341 HydrophobicContact CE1-CG2 3.97Å
277L94.2Very high91.6Very high0 Ų026.6 Ų26.60%013%0.129CC..Hα-helixtrans-63.6-38.5177.8-71.6171.3000112.3F158 I211 A273 V274 A275 Q281 L332 L336F158-L277 HydrophobicContact CE2-CD1 4.36Å; F158-L277 HydrophobicContact CZ-CB 3.93Å; F158-L277 HydrophobicContact CZ-CD1 4.12Å; I211-L277 HydrophobicContact CD1-CD2 4.2Å; I211-L277 HydrophobicContact CG1-CD2 3.88Å; A273-L277 VanDerWaalsContact O-CG 3.26Å; A273-L277 WeakPolarHBondContact O-CG 3.32Å; A273-L277 PolarHBondContact O-N 2.97Å; V274-L277 PolarHBondContact O-N 2.87Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.98Å; L277-Q281 VanDerWaalsContact O-CG 3.26Å; L277-Q281 WeakPolarHBondContact O-CG 3.48Å; L277-Q281 PolarHBondContact O-N 3.06Å; L277-Q281 VanDerWaalsContact O-N 3.14Å; L277-Q281 PolarHBondContact O-NE2 2.89Å; L277-L332 HydrophobicContact CD1-CD2 4.17Å; L277-L332 HydrophobicContact CD2-CD1 4.38Å; L277-L332 HydrophobicContact CD2-CD2 4Å; L277-L332 HydrophobicContact CG-CD1 4.1Å; L277-L332 HydrophobicContact CG-CD2 4.07Å; L277-L336 HydrophobicContact CD2-CB 4.11Å; L277-L336 HydrophobicContact CD2-CD1 4.21Å
278I94.2Very high91.6Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-67.4-47.5175.9-69.4165.2000110.2I156 F158 L208 L253 L255 V274 A275 Y276 N280 Q281 M282I156-I278 HydrophobicContact CD1-CG2 4.24Å; I156-I278 HydrophobicContact CG1-CG2 4.37Å; F158-I278 HydrophobicContact CD1-CD1 3.82Å; F158-I278 HydrophobicContact CD1-CG1 3.67Å; F158-I278 HydrophobicContact CE1-CD1 4.12Å; F158-I278 HydrophobicContact CE1-CG1 3.5Å; F158-I278 VanDerWaalsContact CE1-CG1 3.5Å; F158-I278 HydrophobicContact CG-CD1 4.48Å; F158-I278 HydrophobicContact CZ-CG1 4.41Å; L208-I278 HydrophobicContact CD1-CB 4.11Å; L208-I278 HydrophobicContact CD1-CG1 3.96Å; L208-I278 HydrophobicContact CD1-CG2 3.64Å; L253-I278 HydrophobicContact CD1-CB 4.12Å; L253-I278 HydrophobicContact CD1-CD1 3.65Å; L253-I278 HydrophobicContact CD1-CG1 4.48Å; L253-I278 HydrophobicContact CD1-CG2 3.6Å; L255-I278 HydrophobicContact CD2-CD1 4.03Å; V274-I278 HydrophobicContact CG1-CD1 3.77Å; V274-I278 HydrophobicContact CG1-CG1 4.47Å; V274-I278 WeakPolarHBondContact O-CG1 2.73Å; V274-I278 PolarHBondContact O-N 3.43Å; A275-I278 PolarHBondContact O-N 2.98Å; A275-I278 VanDerWaalsContact O-N 3.16Å; Y276-I278 VanDerWaalsContact C-N 3.33Å; Y276-I278 PolarHBondContact O-N 2.89Å; I278-N280 PolarHBondContact O-N 2.73Å; I278-Q281 PolarHBondContact O-N 2.95Å; I278-M282 HydrophobicContact CG2-CG 4.42Å; I278-M282 HydrophobicContact CG2-SD 3.86Å; I278-M282 WeakPolarHBondContact O-CG 3.42Å; I278-M282 PolarHBondContact O-N 2.88Å
279L94.7Very high91.4Very high0 Ų019.1 Ų19.10%09%0.093CC..Hα-helixtrans-60.8-43.4178.9-66.2171.9000111.5A275 Y276 Q281 M282 E283 L291 M295 M321 P338 P342A275-L279 VanDerWaalsContact O-CG 3.23Å; A275-L279 WeakPolarHBondContact O-CG 3.44Å; A275-L279 PolarHBondContact O-N 2.87Å; Y276-L279 PolarHBondContact O-N 3.07Å; L279-Q281 VanDerWaalsContact C-N 3.34Å; L279-Q281 PolarHBondContact O-N 2.75Å; L279-M282 PolarHBondContact O-N 2.85Å; L279-E283 VanDerWaalsContact O-CB 3.31Å; L279-E283 WeakPolarHBondContact O-CB 3.42Å; L279-E283 PolarHBondContact O-N 3.42Å; L279-L291 HydrophobicContact CB-CD2 4.42Å; L279-L291 HydrophobicContact CD2-CD2 3.58Å; L279-M295 HydrophobicContact CD2-CE 4.14Å; L279-M295 HydrophobicContact CD2-SD 3.94Å; L279-M321 HydrophobicContact CD1-CE 4.24Å; L279-M321 HydrophobicContact CD1-SD 3.84Å; L279-P338 HydrophobicContact CB-CB 4.07Å; L279-P338 HydrophobicContact CB-CG 3.97Å; L279-P342 HydrophobicContact CD1-CG 4.45Å; L279-P342 HydrophobicContact CD2-CG 3.71Å
280N93.2Very high91.1Very high7 Ų718.5 Ų18.54%0.0379%0.09CC..Hα-helixtrans-59.4-44175.1178.3-86.8000111.5Y276 I278 E283 R284 L336 L337 P338Y276-N280 VanDerWaalsContact O-CB 3.28Å; Y276-N280 WeakPolarHBondContact O-CB 2.81Å; Y276-N280 PolarHBondContact O-N 3.01Å; I278-N280 PolarHBondContact O-N 2.73Å; N280-E283 PolarHBondContact O-N 3.22Å; N280-R284 WeakPolarHBondContact O-CB 3.21Å; N280-R284 WeakPolarHBondContact O-CD 3.42Å; N280-R284 WeakPolarHBondContact O-CG 3.46Å; N280-R284 PolarHBondContact O-N 3.46Å; N280-R284 WeakPolarHBondContact OD1-CD 3.33Å; N280-R284 PolarHBondContact OD1-NH1 2.87Å; N280-L336 WeakPolarHBondContact CB-O 3.26Å; N280-L336 PolarHBondContact ND2-O 3.14Å; N280-L337 PolarHBondContact ND2-O 3.16Å; N280-P338 HydrophobicContact CB-CB 4.36Å
281Q91.8Very high91Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-64-41.7176.9-73.5-179.584.200112.2L208 A209 I211 L236 H238 L277 I278 L279 W285L208-Q281 HydrophobicContact CD1-CB 4.46Å; A209-Q281 PolarHBondContact O-NE2 2.97Å; A209-Q281 VanDerWaalsContact O-NE2 3.14Å; A209-Q281 PolarHBondContact O-OE1 2.69Å; I211-Q281 HydrophobicContact CD1-CG 3.67Å; I211-Q281 HydrophobicContact CG1-CG 4.22Å; I211-Q281 HydrophobicContact CG2-CG 4.09Å; L236-Q281 HydrophobicContact CD2-CB 4.38Å; L236-Q281 HydrophobicContact CD2-CG 3.89Å; H238-Q281 PolarHBondContact NE2-OE1 2.87Å; L277-Q281 VanDerWaalsContact O-CG 3.26Å; L277-Q281 WeakPolarHBondContact O-CG 3.48Å; L277-Q281 PolarHBondContact O-N 3.06Å; L277-Q281 VanDerWaalsContact O-N 3.14Å; L277-Q281 PolarHBondContact O-NE2 2.89Å; I278-Q281 PolarHBondContact O-N 2.95Å; L279-Q281 VanDerWaalsContact C-N 3.34Å; L279-Q281 PolarHBondContact O-N 2.75Å; Q281-W285 WeakPolarHBondContact O-CB 3.48Å; Q281-W285 PolarHBondContact O-N 3.02Å
282M91.6Very high90.5Very high0 Ų020.8 Ų20.80%010%0.1CC..Hα-helixtrans-67-41.5177.6-69.5172.16500112.6I156 L242 I251 I278 L279 W285 S286 L290 L291 M295I156-M282 HydrophobicContact CD1-CE 4.41Å; I156-M282 HydrophobicContact CD1-CG 3.9Å; I156-M282 HydrophobicContact CD1-SD 3.63Å; L242-M282 HydrophobicContact CD1-CG 4.45Å; L242-M282 HydrophobicContact CD2-CG 4.43Å; I251-M282 HydrophobicContact CD1-CE 3.46Å; I251-M282 VanDerWaalsContact CD1-CE 3.46Å; I251-M282 HydrophobicContact CG2-CE 4.47Å; I278-M282 HydrophobicContact CG2-CG 4.42Å; I278-M282 HydrophobicContact CG2-SD 3.86Å; I278-M282 WeakPolarHBondContact O-CG 3.42Å; I278-M282 PolarHBondContact O-N 2.88Å; L279-M282 PolarHBondContact O-N 2.85Å; M282-W285 PolarHBondContact O-N 3.39Å; M282-S286 PolarHBondContact O-N 2.75Å; M282-S286 VanDerWaalsContact O-N 3.12Å; M282-S286 PolarHBondContact O-OG 2.94Å; M282-L290 HydrophobicContact CB-CB 4.45Å; M282-L290 HydrophobicContact CE-CB 3.88Å; M282-L291 HydrophobicContact CB-CD2 4.04Å; M282-L291 HydrophobicContact CE-CD2 4.1Å; M282-L291 HydrophobicContact SD-CD2 4.41Å; M282-M295 HydrophobicContact CE-CE 3.72Å; M282-M295 HydrophobicContact SD-CE 4.45Å
283E91.2Very high90.1Very high19 Ų1921.1 Ų21.19%0.08910%0.102CC..Hα-helixtrans-60.1-51.5176-176.8174.3-155.200110.7L279 N280 W285 S286 N287 G288 L291 P338 S339 L340L279-E283 VanDerWaalsContact O-CB 3.31Å; L279-E283 WeakPolarHBondContact O-CB 3.42Å; L279-E283 PolarHBondContact O-N 3.42Å; N280-E283 PolarHBondContact O-N 3.22Å; E283-W285 VanDerWaalsContact C-N 3.3Å; E283-W285 PolarHBondContact O-N 2.86Å; E283-S286 PolarHBondContact O-N 2.93Å; E283-N287 CarbonylContact O-C 3.15Å; E283-N287 WeakPolarHBondContact O-CA 3.1Å; E283-N287 PolarHBondContact O-N 2.67Å; E283-G288 PolarHBondContact O-N 3.01Å; E283-L291 HydrophobicContact CB-CD1 3.76Å; E283-L291 HydrophobicContact CB-CG 4.48Å; E283-L291 HydrophobicContact CG-CD1 4.2Å; E283-P338 WeakPolarHBondContact OE2-CA 3.31Å; E283-P338 WeakPolarHBondContact OE2-CB 3.12Å; E283-S339 WeakPolarHBondContact OE1-CB 3.5Å; E283-S339 PolarHBondContact OE1-N 2.9Å; E283-S339 PolarHBondContact OE1-OG 3.39Å; E283-S339 PolarHBondContact OE2-N 2.87Å; E283-L340 WeakPolarHBondContact OE1-CG 3.4Å; E283-L340 PolarHBondContact OE1-N 3.42Å
284R88.8Confident90Very high67 Ų6722.9 Ų22.925%0.25311%0.113SC..Hα-helixtrans-65.7-31.3179.5-70.1167.162.7-163-3.5112.9P234 L236 N280P234-R284 PolarHBondContact O-NH2 3.31Å; L236-R284 HydrophobicContact CD1-CB 3.49Å; L236-R284 VanDerWaalsContact CD1-CB 3.49Å; N280-R284 WeakPolarHBondContact O-CB 3.21Å; N280-R284 WeakPolarHBondContact O-CD 3.42Å; N280-R284 WeakPolarHBondContact O-CG 3.46Å; N280-R284 PolarHBondContact O-N 3.46Å; N280-R284 WeakPolarHBondContact OD1-CD 3.33Å; N280-R284 PolarHBondContact OD1-NH1 2.87Å
285W84.6Confident89.9Confident69 Ų6922.8 Ų22.826%0.26111%0.112SC..Hα-helixtrans-67.6-43.2176.5172.1-97.7000112.4T239 L242 K243 E246 Q281 M282 E283T239-W285 VanDerWaalsContact OG1-CE3 3.23Å; L242-W285 HydrophobicContact CB-CD2 3.99Å; L242-W285 HydrophobicContact CB-CG 3.79Å; L242-W285 HydrophobicContact CD1-CB 3.63Å; L242-W285 HydrophobicContact CD1-CD2 4.34Å; L242-W285 HydrophobicContact CD1-CG 3.72Å; L242-W285 HydrophobicContact CG-CG 4.4Å; K243-W285 HydrophobicContact CB-CZ2 4.12Å; E246-W285 PolarHBondContact OE1-NE1 3.15Å; E246-W285 VanDerWaalsContact OE1-NE1 3.14Å; Q281-W285 WeakPolarHBondContact O-CB 3.48Å; Q281-W285 PolarHBondContact O-N 3.02Å; M282-W285 PolarHBondContact O-N 3.39Å; E283-W285 VanDerWaalsContact C-N 3.3Å; E283-W285 PolarHBondContact O-N 2.86Å
286S81.3Confident89.9Confident18 Ų1822.9 Ų22.913%0.12611%0.113CC..Hα-helixtrans-116.311.2-167.665.30000113.9M282 E283 G288 L289 L290M282-S286 PolarHBondContact O-N 2.75Å; M282-S286 VanDerWaalsContact O-N 3.12Å; M282-S286 PolarHBondContact O-OG 2.94Å; E283-S286 PolarHBondContact O-N 2.93Å; S286-G288 PolarHBondContact O-N 3.32Å; S286-L289 WeakPolarHBondContact O-CB 3.44Å; S286-L289 PolarHBondContact O-N 3.27Å; S286-L289 VanDerWaalsContact O-N 3.14Å; S286-L289 PolarHBondContact OG-N 3.27Å; S286-L290 WeakPolarHBondContact OG-CB 3.49Å; S286-L290 WeakPolarHBondContact OG-CG 3.34Å; S286-L290 PolarHBondContact OG-N 2.79Å
287N83.9Confident90Very high154 Ų15422.9 Ų22.982%0.82411%0.113SC*.THydrogen-bonded Turntrans48.645-169.5-64.8-6.3000112.4E283 L289E283-N287 CarbonylContact O-C 3.15Å; E283-N287 WeakPolarHBondContact O-CA 3.1Å; E283-N287 PolarHBondContact O-N 2.67Å; N287-L289 VanDerWaalsContact C-N 3.31Å; N287-L289 PolarHBondContact O-N 2.88Å
288G83.3Confident90.1Very high1 Ų122.9 Ų22.91%0.0111%0.113CC..THydrogen-bonded Turntrans84.8-12.2179.400000115.7E283 S286 L290 L291E283-G288 PolarHBondContact O-N 3.01Å; S286-G288 PolarHBondContact O-N 3.32Å; G288-L290 VanDerWaalsContact C-N 3.34Å; G288-L290 PolarHBondContact O-N 3.44Å; G288-L291 WeakPolarHBondContact O-CB 3.43Å; G288-L291 PolarHBondContact O-N 3.04Å
289L83Confident90.3Very high17 Ų1722.9 Ų22.99%0.08911%0.113CC..G310 helixtrans-58.5-40.2-175.4173.757.7000113.8F5 T44 Q46 S286 N287 L291 E292F5-L289 HydrophobicContact CB-CD1 4.36Å; F5-L289 HydrophobicContact CD2-CD1 4.17Å; F5-L289 HydrophobicContact CD2-CD2 4.23Å; F5-L289 HydrophobicContact CD2-CG 4.1Å; T44-L289 HydrophobicContact CG2-CD2 4.33Å; Q46-L289 HydrophobicContact CB-CD2 4.38Å; Q46-L289 HydrophobicContact CG-CD1 4.43Å; S286-L289 WeakPolarHBondContact O-CB 3.44Å; S286-L289 PolarHBondContact O-N 3.27Å; S286-L289 VanDerWaalsContact O-N 3.14Å; S286-L289 PolarHBondContact OG-N 3.27Å; N287-L289 VanDerWaalsContact C-N 3.31Å; N287-L289 PolarHBondContact O-N 2.88Å; L289-L291 PolarHBondContact O-N 3.28Å; L289-E292 WeakPolarHBondContact O-CB 3.31Å; L289-E292 PolarHBondContact O-N 3.37Å
290L87.2Confident90.5Very high0 Ų023 Ų230%011%0.114CC..G310 helixtrans-66.6-24.7178.3-76178.7000113L242 V245 E246 I251 M282 S286 G288 E292 K293L242-L290 HydrophobicContact CB-CD1 4.34Å; V245-L290 HydrophobicContact CB-CD1 4.33Å; V245-L290 HydrophobicContact CB-CD2 4.19Å; V245-L290 HydrophobicContact CG1-CD1 4.37Å; V245-L290 HydrophobicContact CG1-CD2 3.9Å; E246-L290 HydrophobicContact CB-CD2 4.47Å; E246-L290 HydrophobicContact CG-CD2 3.68Å; E246-L290 HydrophobicContact CG-CG 4.36Å; I251-L290 WeakPolarHBondContact CD1-O 3.24Å; M282-L290 HydrophobicContact CB-CB 4.45Å; M282-L290 HydrophobicContact CE-CB 3.88Å; S286-L290 WeakPolarHBondContact OG-CB 3.49Å; S286-L290 WeakPolarHBondContact OG-CG 3.34Å; S286-L290 PolarHBondContact OG-N 2.79Å; G288-L290 VanDerWaalsContact C-N 3.34Å; G288-L290 PolarHBondContact O-N 3.44Å; L290-E292 PolarHBondContact O-N 2.64Å; L290-K293 HydrophobicContact CD2-CD 4.34Å; L290-K293 PolarHBondContact O-N 3.49Å
291L90.6Very high90.6Very high13 Ų1325.3 Ų25.37%0.06812%0.123CC..G310 helixtrans-77.2-12.1177.7-57.7-174.2000112.6L279 M282 E283 G288 L289 K293 M295 L340 P342L279-L291 HydrophobicContact CB-CD2 4.42Å; L279-L291 HydrophobicContact CD2-CD2 3.58Å; M282-L291 HydrophobicContact CB-CD2 4.04Å; M282-L291 HydrophobicContact CE-CD2 4.1Å; M282-L291 HydrophobicContact SD-CD2 4.41Å; E283-L291 HydrophobicContact CB-CD1 3.76Å; E283-L291 HydrophobicContact CB-CG 4.48Å; E283-L291 HydrophobicContact CG-CD1 4.2Å; G288-L291 WeakPolarHBondContact O-CB 3.43Å; G288-L291 PolarHBondContact O-N 3.04Å; L289-L291 PolarHBondContact O-N 3.28Å; L291-K293 VanDerWaalsContact C-N 3.28Å; L291-M295 HydrophobicContact CD2-CE 4.2Å; L291-L340 HydrophobicContact CD1-CB 3.89Å; L291-L340 VanDerWaalsContact CD1-O 3.28Å; L291-L340 WeakPolarHBondContact CD1-O 3.46Å; L291-P342 HydrophobicContact CD2-CG 4.31Å
292E87.2Confident90.8Very high66 Ų6626.2 Ų26.231%0.30813%0.129SC..G310 helixtrans-80.8-10.6173.6-58.2179.9163.500112.2K3 G4 Q46 L289 L290K3-E292 VanDerWaalsContact CB-CD 3.45Å; K3-E292 WeakPolarHBondContact CB-OE1 3.35Å; K3-E292 WeakPolarHBondContact CB-OE2 3.26Å; G4-E292 PolarHBondContact N-OE2 3.24Å; Q46-E292 PolarHBondContact NE2-OE2 3.33Å; L289-E292 WeakPolarHBondContact O-CB 3.31Å; L289-E292 PolarHBondContact O-N 3.37Å; L290-E292 PolarHBondContact O-N 2.64Å
293K88.2Confident91Very high7 Ų729 Ų293%0.0314%0.144CC..SBendtrans-73.9143.3176.3-69.6-166.4173.7-167.30110.8F5 V245 E246 S248 I251 L290 L291 M295F5-K293 HydrophobicContact CB-CG 3.91Å; F5-K293 VanDerWaalsContact CD1-CE 3.43Å; F5-K293 HydrophobicContact CG-CD 4.39Å; F5-K293 HydrophobicContact CG-CG 4.27Å; V245-K293 PolarHBondContact O-NZ 3.4Å; E246-K293 PolarHBondContact O-NZ 2.95Å; S248-K293 PolarHBondContact O-NZ 3.47Å; I251-K293 HydrophobicContact CD1-CB 3.98Å; I251-K293 HydrophobicContact CD1-CD 4.13Å; I251-K293 HydrophobicContact CG1-CB 4.2Å; I251-K293 HydrophobicContact CG1-CD 4.29Å; L290-K293 HydrophobicContact CD2-CD 4.34Å; L290-K293 PolarHBondContact O-N 3.49Å; L291-K293 VanDerWaalsContact C-N 3.28Å; K293-M295 PolarHBondContact O-N 3.46Å
294P92.2Very high91.1Very high37 Ų3730.9 Ų30.924%0.2416%0.156CC..  trans-53127.5169.5-2433.9000110.4C250 I251 I372C250-P294 WeakPolarHBondContact CA-O 3.35Å; I251-P294 PolarHBondContact N-O 2.77Å; P294-I372 HydrophobicContact CB-CD1 3.43Å; P294-I372 VanDerWaalsContact CB-CD1 3.43Å; P294-I372 HydrophobicContact CB-CG1 4.05Å; P294-I372 HydrophobicContact CG-CD1 3.83Å; P294-I372 HydrophobicContact CG-CG1 4.04Å; P294-I372 HydrophobicContact CG-CG2 4.09Å
295M95Very high91.2Very high3 Ų334.3 Ų34.32%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-132.6135.3-172.8-168.4177.6-57.200109.8I251 L253 L279 M282 L291 K293 P342 F344 E345I251-M295 HydrophobicContact CB-CB 4.41Å; I251-M295 HydrophobicContact CB-CE 4.2Å; I251-M295 HydrophobicContact CB-CG 4.01Å; I251-M295 HydrophobicContact CD1-CE 3.98Å; I251-M295 HydrophobicContact CG2-CE 4.09Å; I251-M295 HydrophobicContact CG2-CG 4.08Å; I251-M295 HydrophobicContact CG2-SD 4.39Å; I251-M295 VanDerWaalsContact O-CA 3.3Å; I251-M295 WeakPolarHBondContact O-CA 3.46Å; L253-M295 HydrophobicContact CB-SD 4.36Å; L279-M295 HydrophobicContact CD2-CE 4.14Å; L279-M295 HydrophobicContact CD2-SD 3.94Å; M282-M295 HydrophobicContact CE-CE 3.72Å; M282-M295 HydrophobicContact SD-CE 4.45Å; L291-M295 HydrophobicContact CD2-CE 4.2Å; K293-M295 PolarHBondContact O-N 3.46Å; M295-P342 HydrophobicContact CE-CG 4.32Å; M295-P342 HydrophobicContact SD-CG 4.27Å; M295-F344 HydrophobicContact CB-CD1 4.24Å; M295-F344 HydrophobicContact CG-CD1 3.84Å; M295-F344 HydrophobicContact CG-CE1 3.78Å; M295-F344 CarbonylContact O-C 3.55Å; M295-F344 VanDerWaalsContact O-CA 3.27Å; M295-F344 WeakPolarHBondContact O-CA 3.1Å; M295-F344 HydrophobicContact SD-CD1 4.15Å; M295-F344 HydrophobicContact SD-CE1 3.52Å; M295-F344 VanDerWaalsContact SD-CE1 3.52Å; M295-F344 HydrophobicContact SD-CZ 4.47Å; M295-E345 PolarHBondContact O-N 3.18Å
296A95.9Very high91.6Very high2 Ų232.9 Ų32.92%0.01719%0.191CC..EExtended strand (participates in β ladder)trans-119.1152.6166.800000109.5I251 L252 L253 W368I251-A296 PolarHBondContact O-N 3.03Å; L252-A296 HydrophobicContact CD2-CB 3.92Å; L253-A296 PolarHBondContact N-O 3.33Å; A296-W368 HydrophobicContact CB-CE3 3.82Å; A296-W368 HydrophobicContact CB-CH2 3.79Å; A296-W368 HydrophobicContact CB-CZ3 3.25Å
297C97.3Very high92.2Very high0 Ų032 Ų320%019%0.185CC..EExtended strand (participates in β ladder)trans-109.4139.9178.2-170.30000110.6L253 L255 L318 F344 S346 I347 E348L253-C297 CarbonylContact O-C 3.56Å; L253-C297 WeakPolarHBondContact O-CA 3.28Å; L255-C297 VanDerWaalsContact CD1-SG 3.51Å; C297-L318 HydrophobicContact CB-CD1 4.49Å; C297-F344 HydrophobicContact CB-CD1 3.75Å; C297-F344 HydrophobicContact CB-CD2 4.16Å; C297-F344 HydrophobicContact CB-CE1 3.79Å; C297-F344 HydrophobicContact CB-CE2 4.2Å; C297-F344 HydrophobicContact CB-CG 3.94Å; C297-F344 HydrophobicContact CB-CZ 4.04Å; C297-S346 PolarHBondContact N-O 3.22Å; C297-I347 HydrophobicContact CB-CG1 4.04Å; C297-I347 HydrophobicContact CB-CG2 4.36Å; C297-I347 WeakPolarHBondContact O-CA 3.38Å; C297-E348 PolarHBondContact O-N 2.83Å
298I98Very high92.7Very high0 Ų028.7 Ų28.70%017%0.166CC..EExtended strand (participates in β ladder)trans-125.3111.5-179.6-54.9178.6000107.9L166 L252 L253 L255 N300 E348 V350 L361L166-I298 HydrophobicContact CD2-CB 4.49Å; L166-I298 HydrophobicContact CD2-CD1 3.7Å; L166-I298 HydrophobicContact CD2-CG2 3.95Å; L252-I298 HydrophobicContact CB-CD1 4.14Å; L252-I298 HydrophobicContact CD1-CD1 4.23Å; L252-I298 HydrophobicContact CD2-CD1 4.38Å; L252-I298 HydrophobicContact CG-CD1 4.47Å; L253-I298 PolarHBondContact O-N 2.82Å; L255-I298 PolarHBondContact N-O 3.07Å; I298-N300 PolarHBondContact O-N 3.36Å; I298-E348 WeakPolarHBondContact CA-O 3.42Å; I298-V350 HydrophobicContact CG2-CB 4.5Å; I298-V350 HydrophobicContact CG2-CG1 4.4Å; I298-V350 HydrophobicContact CG2-CG2 3.33Å; I298-L361 HydrophobicContact CD1-CD1 4.27Å; I298-L361 HydrophobicContact CD1-CD2 4.01Å
299L98Very high93.4Very high0 Ų034.3 Ų34.30%020%0.196CC..EExtended strand (participates in β ladder)trans-87.4100.4171.4-65.9169.2000107.9L255 A271 A311 T314 K315 L318 I347 E348 L349 V350L255-L299 HydrophobicContact CB-CD2 4.08Å; L255-L299 HydrophobicContact CD1-CD2 4.09Å; A271-L299 HydrophobicContact CB-CD2 4.37Å; L299-A311 HydrophobicContact CB-CB 4.27Å; L299-A311 HydrophobicContact CD1-CB 4.16Å; L299-A311 WeakPolarHBondContact CD1-O 3.23Å; L299-T314 HydrophobicContact CD1-CG2 4.43Å; L299-T314 HydrophobicContact CD2-CG2 3.67Å; L299-K315 HydrophobicContact CD1-CB 3.95Å; L299-L318 HydrophobicContact CD1-CD1 4.42Å; L299-L318 HydrophobicContact CD2-CD1 4.16Å; L299-L318 HydrophobicContact CG-CD1 4.46Å; L299-I347 HydrophobicContact CD1-CG2 3.85Å; L299-I347 HydrophobicContact CG-CG2 4.27Å; L299-E348 PolarHBondContact N-O 3.16Å; L299-L349 HydrophobicContact CB-CG 4.24Å; L299-L349 HydrophobicContact CD1-CD1 4.03Å; L299-L349 HydrophobicContact CD1-CG 4.21Å; L299-L349 WeakPolarHBondContact O-CA 3.26Å; L299-V350 PolarHBondContact O-N 2.95Å
300N97.8Very high93.9Very high3 Ų336.8 Ų36.82%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-93.3166.3-173.9-169.124.1000111.6A161 V254 L255 S257 I298 V350 A352A161-N300 PolarHBondContact O-ND2 3.34Å; V254-N300 HydrophobicContact CG1-CB 4.14Å; L255-N300 WeakPolarHBondContact O-CB 3.34Å; L255-N300 PolarHBondContact O-N 3.31Å; S257-N300 WeakPolarHBondContact CB-O 3.24Å; S257-N300 PolarHBondContact N-O 3.12Å; S257-N300 PolarHBondContact OG-O 2.68Å; I298-N300 PolarHBondContact O-N 3.36Å; N300-V350 CarbonylContact C-O 3.4Å; N300-V350 VanDerWaalsContact CA-O 3.3Å; N300-V350 WeakPolarHBondContact CA-O 3.32Å; N300-V350 HydrophobicContact CB-CG2 4.34Å; N300-A352 PolarHBondContact OD1-N 2.96Å; N300-A352 VanDerWaalsContact OD1-N 3.09Å
301K96.7Very high94.4Very high56 Ų5636.8 Ų36.824%0.24321%0.207CC..  trans66.230.1177-48.1-171.6-169.2168.60115.5N160 D256 D303 T304 A307 V350N160-K301 WeakPolarHBondContact O-CE 3.36Å; N160-K301 PolarHBondContact O-NZ 2.84Å; D256-K301 WeakPolarHBondContact OD2-CD 3.23Å; D256-K301 VanDerWaalsContact OD2-CE 3.29Å; D256-K301 WeakPolarHBondContact OD2-CE 3.34Å; D256-K301 IonicContact OD2-NZ 2.68Å; D256-K301 PolarHBondContact OD2-NZ 3.46Å; K301-D303 WeakPolarHBondContact CA-OD1 3.05Å; K301-D303 PolarHBondContact O-N 3.45Å; K301-T304 PolarHBondContact O-N 3.14Å; K301-T304 VanDerWaalsContact O-N 3.07Å; K301-T304 PolarHBondContact O-OG1 3.19Å; K301-A307 WeakPolarHBondContact O-CB 3.12Å; K301-V350 PolarHBondContact N-O 2.82Å; K301-V350 VanDerWaalsContact N-O 3.07Å
302V96Very high94.7Very high18 Ų1840.4 Ų40.411%0.10923%0.226CC..THydrogen-bonded Turntrans-63.6-8.4176.3-56.80000113.9T304 M308 A311 L349 V350V302-T304 PolarHBondContact O-N 3.45Å; V302-M308 HydrophobicContact CB-SD 4.07Å; V302-M308 HydrophobicContact CG1-SD 4.39Å; V302-A311 HydrophobicContact CG1-CB 4Å; V302-L349 HydrophobicContact CG1-CB 4.13Å; V302-L349 HydrophobicContact CG1-CG 4.46Å; V302-V350 WeakPolarHBondContact CG2-O 3.11Å; V302-V350 PolarHBondContact N-O 2.94Å
303D94.4Very high95.1Very high59 Ų5941.1 Ų41.132%0.31623%0.229SC..THydrogen-bonded Turntrans-73.8-12.5172.360.4-65.7000114K301 S351 R354K301-D303 WeakPolarHBondContact CA-OD1 3.05Å; K301-D303 PolarHBondContact O-N 3.45Å; D303-S351 VanDerWaalsContact OD1-CB 3.31Å; D303-S351 WeakPolarHBondContact OD1-CB 3.36Å; D303-S351 PolarHBondContact OD1-OG 2.99Å; D303-R354 HydrophobicContact CB-CB 4.36Å; D303-R354 HydrophobicContact CB-CG 3.56Å
304T93.1Very high95.5Very high58 Ų5840.8 Ų40.836%0.35623%0.228SC..SBendtrans-78.1145.4177.9-46.30000110.4L258 K301 V302 G306 A307L258-T304 HydrophobicContact CD1-CG2 3.59Å; K301-T304 PolarHBondContact O-N 3.14Å; K301-T304 VanDerWaalsContact O-N 3.07Å; K301-T304 PolarHBondContact O-OG1 3.19Å; V302-T304 PolarHBondContact O-N 3.45Å; T304-G306 PolarHBondContact O-N 3.16Å; T304-A307 WeakPolarHBondContact O-CB 3.37Å; T304-A307 PolarHBondContact O-N 3.29Å
305T92.6Very high95.8Very high140 Ų14042 Ų4286%0.85923%0.229SC*.THydrogen-bonded Turntrans-54.9127.4178.7-46.20000111.6A307T305-A307 PolarHBondContact O-N 3.43Å
306G92.1Very high95.9Very high38 Ų3847.4 Ų47.439%0.39225%0.25SS..THydrogen-bonded Turntrans75.7-8.4-177.600000115.2T304 M308 D309 E310T304-G306 PolarHBondContact O-N 3.16Å; G306-M308 VanDerWaalsContact C-N 3.31Å; G306-M308 PolarHBondContact O-N 2.9Å; G306-D309 PolarHBondContact O-N 2.96Å; G306-E310 WeakPolarHBondContact O-CG 3.3Å; G306-E310 PolarHBondContact O-N 2.83Å
307A94.6Very high95.9Very high0 Ų049.2 Ų49.20%026%0.257CS..Hα-helixtrans-69.3-28.7-176.400000113.3L258 K301 T304 T305 A311L258-A307 HydrophobicContact CD1-CB 4.31Å; L258-A307 HydrophobicContact CD2-CB 3.97Å; L258-A307 HydrophobicContact CG-CB 3.83Å; K301-A307 WeakPolarHBondContact O-CB 3.12Å; T304-A307 WeakPolarHBondContact O-CB 3.37Å; T304-A307 PolarHBondContact O-N 3.29Å; T305-A307 PolarHBondContact O-N 3.43Å; A307-A311 WeakPolarHBondContact O-CB 3.48Å; A307-A311 PolarHBondContact O-N 3.12Å
308M94.5Very high95.9Very high85 Ų8549.4 Ų49.442%0.41926%0.258SS..Hα-helixtrans-66.5-44178.9-170.565.2-175.500111.9V302 G306 A311 L312 L349V302-M308 HydrophobicContact CB-SD 4.07Å; V302-M308 HydrophobicContact CG1-SD 4.39Å; G306-M308 VanDerWaalsContact C-N 3.31Å; G306-M308 PolarHBondContact O-N 2.9Å; M308-A311 PolarHBondContact O-N 3.42Å; M308-L312 HydrophobicContact CE-CD1 4.37Å; M308-L312 HydrophobicContact CE-CD2 4.4Å; M308-L312 HydrophobicContact CE-CG 4.37Å; M308-L312 WeakPolarHBondContact O-CG 3.3Å; M308-L312 PolarHBondContact O-N 2.97Å; M308-L349 HydrophobicContact CE-CD2 3.85Å; M308-L349 HydrophobicContact SD-CD2 3.91Å
309D96.4Very high95.8Very high118 Ų11854.7 Ų54.763%0.63128%0.282SS*.Hα-helixtrans-66.3-46.2179.9-60.4-39000110.8G306 A311 L312 E313G306-D309 PolarHBondContact O-N 2.96Å; D309-A311 VanDerWaalsContact C-N 3.3Å; D309-A311 PolarHBondContact O-N 3.1Å; D309-L312 PolarHBondContact O-N 3.19Å; D309-E313 PolarHBondContact O-N 3.48Å
310E95.2Very high95.6Very high70 Ų7059.6 Ų59.633%0.32730%0.301SS..Hα-helixtrans-60.9-36.8174.3-70.2-78.9-179.200112.4L258 G306 T314L258-E310 HydrophobicContact CD2-CB 4.44Å; L258-E310 HydrophobicContact CD2-CG 4.17Å; G306-E310 WeakPolarHBondContact O-CG 3.3Å; G306-E310 PolarHBondContact O-N 2.83Å; E310-T314 VanDerWaalsContact O-CB 3.23Å; E310-T314 WeakPolarHBondContact O-CB 3.47Å; E310-T314 PolarHBondContact O-N 3.04Å; E310-T314 PolarHBondContact O-OG1 3.29Å
311A96.6Very high95.4Very high0 Ų059.8 Ų59.80%030%0.302CS..Hα-helixtrans-67.2-42.7175.400000111.8L299 V302 A307 M308 D309 T314 K315 L349L299-A311 HydrophobicContact CB-CB 4.27Å; L299-A311 HydrophobicContact CD1-CB 4.16Å; L299-A311 WeakPolarHBondContact CD1-O 3.23Å; V302-A311 HydrophobicContact CG1-CB 4Å; A307-A311 WeakPolarHBondContact O-CB 3.48Å; A307-A311 PolarHBondContact O-N 3.12Å; M308-A311 PolarHBondContact O-N 3.42Å; D309-A311 VanDerWaalsContact C-N 3.3Å; D309-A311 PolarHBondContact O-N 3.1Å; A311-T314 PolarHBondContact O-N 3.36Å; A311-K315 VanDerWaalsContact O-CB 3.31Å; A311-K315 WeakPolarHBondContact O-CB 3.44Å; A311-K315 PolarHBondContact O-N 3.18Å; A311-L349 HydrophobicContact CB-CD2 3.58Å; A311-L349 HydrophobicContact CB-CG 4Å
312L97.1Very high95.2Very high88 Ų8861.5 Ų61.546%0.46131%0.313SS..Hα-helixtrans-64.7-42.5177.2-71.7172.2000111.4M308 D309 K315 Y316 L349M308-L312 HydrophobicContact CE-CD1 4.37Å; M308-L312 HydrophobicContact CE-CD2 4.4Å; M308-L312 HydrophobicContact CE-CG 4.37Å; M308-L312 WeakPolarHBondContact O-CG 3.3Å; M308-L312 PolarHBondContact O-N 2.97Å; D309-L312 PolarHBondContact O-N 3.19Å; L312-K315 PolarHBondContact O-N 2.91Å; L312-Y316 PolarHBondContact O-N 2.83Å; L312-L349 HydrophobicContact CD2-CD2 3.86Å; L312-L349 HydrophobicContact CG-CD2 4.12Å
313E96.3Very high95Very high82 Ų8262 Ų6238%0.38332%0.318SS..Hα-helixtrans-63.8-46174.6-171.6176.8-172.800111.3D309 K315 Y316 W317 Y329D309-E313 PolarHBondContact O-N 3.48Å; E313-K315 VanDerWaalsContact C-N 3.31Å; E313-K315 PolarHBondContact O-N 3.18Å; E313-Y316 WeakPolarHBondContact O-CB 3.43Å; E313-Y316 PolarHBondContact O-N 3.2Å; E313-W317 PolarHBondContact O-N 2.81Å; E313-Y329 WeakPolarHBondContact OE1-CE2 3.39Å; E313-Y329 PolarHBondContact OE1-OH 3Å; E313-Y329 PolarHBondContact OE2-OH 2.83Å
314T96.6Very high94.9Very high0 Ų063.4 Ų63.40%033%0.332CS..Hα-helixtrans-60-42.9176-62.50000111.2A271 L272 L299 E310 A311 Y316 W317 L318A271-T314 HydrophobicContact CB-CG2 3.61Å; L272-T314 HydrophobicContact CB-CG2 4.48Å; L299-T314 HydrophobicContact CD1-CG2 4.43Å; L299-T314 HydrophobicContact CD2-CG2 3.67Å; E310-T314 VanDerWaalsContact O-CB 3.23Å; E310-T314 WeakPolarHBondContact O-CB 3.47Å; E310-T314 PolarHBondContact O-N 3.04Å; E310-T314 PolarHBondContact O-OG1 3.29Å; A311-T314 PolarHBondContact O-N 3.36Å; T314-Y316 VanDerWaalsContact C-N 3.33Å; T314-Y316 PolarHBondContact O-N 3.38Å; T314-W317 PolarHBondContact O-N 2.77Å; T314-L318 HydrophobicContact CG2-CD1 3.75Å; T314-L318 HydrophobicContact CG2-CG 3.99Å; T314-L318 WeakPolarHBondContact O-CB 3.2Å; T314-L318 VanDerWaalsContact O-CG 3.3Å; T314-L318 WeakPolarHBondContact O-CG 3.31Å; T314-L318 PolarHBondContact O-N 2.79Å
315K97.5Very high95Very high63 Ų6366.1 Ų66.127%0.27434%0.341SS..Hα-helixtrans-58-46.2176.6174.2170.3176.6167.70111.2L299 A311 L312 E313 W317 L318 E319 I347 L349L299-K315 HydrophobicContact CD1-CB 3.95Å; A311-K315 VanDerWaalsContact O-CB 3.31Å; A311-K315 WeakPolarHBondContact O-CB 3.44Å; A311-K315 PolarHBondContact O-N 3.18Å; L312-K315 PolarHBondContact O-N 2.91Å; E313-K315 VanDerWaalsContact C-N 3.31Å; E313-K315 PolarHBondContact O-N 3.18Å; K315-W317 PolarHBondContact O-N 3.37Å; K315-L318 PolarHBondContact O-N 3.36Å; K315-E319 WeakPolarHBondContact CE-OE1 3.49Å; K315-E319 WeakPolarHBondContact O-CG 3.44Å; K315-E319 PolarHBondContact O-N 3.44Å; K315-E319 VanDerWaalsContact O-N 3.09Å; K315-I347 HydrophobicContact CB-CG2 4.04Å; K315-I347 HydrophobicContact CD-CB 4.34Å; K315-I347 HydrophobicContact CD-CG2 4.14Å; K315-I347 HydrophobicContact CG-CB 4.13Å; K315-I347 HydrophobicContact CG-CD1 4.32Å; K315-I347 HydrophobicContact CG-CG2 3.82Å; K315-I347 PolarHBondContact NZ-O 3.44Å; K315-L349 HydrophobicContact CB-CD1 4.4Å; K315-L349 HydrophobicContact CD-CD1 3.64Å
316Y96.8Very high95.1Very high116 Ų11659.4 Ų59.446%0.45530%0.3SS..Hα-helixtrans-54.6-42.3176.9171.4-95.4000112.2L312 E313 T314 R320L312-Y316 PolarHBondContact O-N 2.83Å; E313-Y316 WeakPolarHBondContact O-CB 3.43Å; E313-Y316 PolarHBondContact O-N 3.2Å; T314-Y316 VanDerWaalsContact C-N 3.33Å; T314-Y316 PolarHBondContact O-N 3.38Å; Y316-R320 PolarHBondContact O-NH1 2.93Å
317W96.7Very high95.1Very high40 Ų4061 Ų6115%0.15230%0.296CS..Hα-helixtrans-75.7-36177.6-65.6120.4000113.9L272 E313 T314 K315 E319 R320 M321 E325 A326 Y329L272-W317 HydrophobicContact CD1-CB 4.01Å; L272-W317 HydrophobicContact CD2-CB 3.61Å; L272-W317 HydrophobicContact CD2-CG 4.12Å; L272-W317 HydrophobicContact CG-CB 4.32Å; E313-W317 PolarHBondContact O-N 2.81Å; T314-W317 PolarHBondContact O-N 2.77Å; K315-W317 PolarHBondContact O-N 3.37Å; W317-E319 VanDerWaalsContact C-N 3.27Å; W317-E319 PolarHBondContact O-N 2.91Å; W317-R320 CarbonylContact O-C 3.6Å; W317-R320 WeakPolarHBondContact O-CA 3.47Å; W317-R320 PolarHBondContact O-N 3.26Å; W317-M321 PolarHBondContact O-N 2.76Å; W317-M321 VanDerWaalsContact O-N 3.1Å; W317-E325 HydrophobicContact CH2-CB 4Å; W317-E325 HydrophobicContact CZ3-CB 3.68Å; W317-A326 HydrophobicContact CE3-CB 3.83Å; W317-A326 HydrophobicContact CZ3-CB 4.49Å; W317-Y329 AromaticContact CD1-CD1 3.55Å; W317-Y329 AromaticContact CD1-CE1 3.5Å; W317-Y329 AromaticContact CD1-CG 3.9Å; W317-Y329 AromaticContact CD1-CZ 3.82Å; W317-Y329 HydrophobicContact CD2-CD1 4.49Å; W317-Y329 HydrophobicContact CD2-CG 4.31Å; W317-Y329 AromaticContact CE2-CD2 3.85Å; W317-Y329 AromaticContact CE2-CG 3.82Å; W317-Y329 HydrophobicContact CG-CD1 4.07Å; W317-Y329 HydrophobicContact CG-CE1 4.39Å; W317-Y329 HydrophobicContact CG-CG 4.36Å; W317-Y329 HydrophobicContact CZ2-CD2 4.1Å; W317-Y329 HydrophobicContact CZ2-CG 4.32Å; W317-Y329 AromaticContact NE1-CD1 3.68Å; W317-Y329 AromaticContact NE1-CD2 3.46Å; W317-Y329 AromaticContact NE1-CE1 3.72Å; W317-Y329 AromaticContact NE1-CE2 3.49Å; W317-Y329 AromaticContact NE1-CG 3.55Å; W317-Y329 AromaticContact NE1-CZ 3.62Å
318L96.3Very high95.1Very high4 Ų468.4 Ų68.42%0.02133%0.331CS..Hα-helixtrans-63.9-32.1177-74.9171.2000112.2L255 L272 A275 C297 L299 T314 K315 R320 M321 F344 I347L255-L318 HydrophobicContact CD1-CD1 4.18Å; L255-L318 HydrophobicContact CD1-CD2 4.48Å; L272-L318 HydrophobicContact CD1-CD2 3.77Å; L272-L318 HydrophobicContact CD1-CG 4.15Å; A275-L318 HydrophobicContact CB-CD2 3.76Å; C297-L318 HydrophobicContact CB-CD1 4.49Å; L299-L318 HydrophobicContact CD1-CD1 4.42Å; L299-L318 HydrophobicContact CD2-CD1 4.16Å; L299-L318 HydrophobicContact CG-CD1 4.46Å; T314-L318 HydrophobicContact CG2-CD1 3.75Å; T314-L318 HydrophobicContact CG2-CG 3.99Å; T314-L318 WeakPolarHBondContact O-CB 3.2Å; T314-L318 VanDerWaalsContact O-CG 3.3Å; T314-L318 WeakPolarHBondContact O-CG 3.31Å; T314-L318 PolarHBondContact O-N 2.79Å; K315-L318 PolarHBondContact O-N 3.36Å; L318-R320 PolarHBondContact O-N 2.83Å; L318-M321 HydrophobicContact CD2-CG 4.39Å; L318-M321 HydrophobicContact CD2-SD 3.97Å; L318-M321 WeakPolarHBondContact O-CG 3.48Å; L318-F344 HydrophobicContact CB-CD2 4.49Å; L318-F344 HydrophobicContact CB-CE2 4.29Å; L318-F344 HydrophobicContact CD2-CE2 3.81Å; L318-F344 HydrophobicContact CD2-CZ 4.38Å; L318-I347 HydrophobicContact CB-CD1 3.55Å; L318-I347 HydrophobicContact CB-CG1 4.32Å; L318-I347 HydrophobicContact CD1-CG2 4.09Å
319E95.8Very high95.1Very high110 Ų11066.7 Ų66.751%0.51432%0.32SS..THydrogen-bonded Turntrans-67.6-18.1171.6-68.5174.4175.500112.8K315 W317 I347K315-E319 WeakPolarHBondContact CE-OE1 3.49Å; K315-E319 WeakPolarHBondContact O-CG 3.44Å; K315-E319 PolarHBondContact O-N 3.44Å; K315-E319 VanDerWaalsContact O-N 3.09Å; W317-E319 VanDerWaalsContact C-N 3.27Å; W317-E319 PolarHBondContact O-N 2.91Å; E319-I347 HydrophobicContact CG-CD1 3.6Å
320R94.8Very high94.9Very high104 Ų10461.2 Ų61.239%0.39229%0.291SS..THydrogen-bonded Turntrans-126.331.4-172.4-67.3168.2-178.7695.6112.2Y316 W317 L318 D322 S323 A326Y316-R320 PolarHBondContact O-NH1 2.93Å; W317-R320 CarbonylContact O-C 3.6Å; W317-R320 WeakPolarHBondContact O-CA 3.47Å; W317-R320 PolarHBondContact O-N 3.26Å; L318-R320 PolarHBondContact O-N 2.83Å; R320-D322 PolarHBondContact O-N 2.8Å; R320-S323 VanDerWaalsContact O-CB 3.26Å; R320-S323 WeakPolarHBondContact O-CB 3.39Å; R320-S323 PolarHBondContact O-N 2.94Å; R320-S323 PolarHBondContact O-OG 2.93Å; R320-A326 VanDerWaalsContact O-CB 3.31Å; R320-A326 WeakPolarHBondContact O-CB 3.44Å
321M92.9Very high94.7Very high6 Ų664.6 Ų64.63%0.0331%0.307CS..THydrogen-bonded Turntrans-57-23.7-176.5-76.8-169.9-59.400114.6L272 Y276 L279 W317 L318 S323 T341 P342 F344L272-M321 HydrophobicContact CD1-CG 4.21Å; Y276-M321 HydrophobicContact CE1-CB 4Å; Y276-M321 HydrophobicContact CE1-CG 4.12Å; Y276-M321 HydrophobicContact CE1-SD 4.31Å; Y276-M321 WeakPolarHBondContact OH-CA 3.27Å; Y276-M321 PolarHBondContact OH-O 2.84Å; L279-M321 HydrophobicContact CD1-CE 4.24Å; L279-M321 HydrophobicContact CD1-SD 3.84Å; W317-M321 PolarHBondContact O-N 2.76Å; W317-M321 VanDerWaalsContact O-N 3.1Å; L318-M321 HydrophobicContact CD2-CG 4.39Å; L318-M321 HydrophobicContact CD2-SD 3.97Å; L318-M321 WeakPolarHBondContact O-CG 3.48Å; M321-S323 VanDerWaalsContact C-N 3.28Å; M321-S323 PolarHBondContact O-N 2.86Å; M321-T341 HydrophobicContact CB-CG2 4Å; M321-P342 WeakPolarHBondContact CE-O 3.11Å; M321-F344 HydrophobicContact CE-CD2 3.85Å; M321-F344 HydrophobicContact CE-CE2 3.22Å; M321-F344 HydrophobicContact CE-CZ 3.84Å; M321-F344 HydrophobicContact SD-CE2 3.71Å; M321-F344 HydrophobicContact SD-CZ 4.22Å
322D92Very high94.5Very high92 Ų9265.3 Ų65.349%0.49231%0.31SS..THydrogen-bonded Turntrans-73.4-22.8178.9-62-15.5000112.8R320 T341R320-D322 PolarHBondContact O-N 2.8Å; D322-T341 WeakPolarHBondContact OD1-CB 3.44Å; D322-T341 PolarHBondContact OD1-OG1 3.43Å
323S93.3Very high94.1Very high29 Ų2962.7 Ų62.720%0.20330%0.298CS..SBendtrans-67.8149.1-174.6720000112.2R320 M321 E325 A326 K327R320-S323 VanDerWaalsContact O-CB 3.26Å; R320-S323 WeakPolarHBondContact O-CB 3.39Å; R320-S323 PolarHBondContact O-N 2.94Å; R320-S323 PolarHBondContact O-OG 2.93Å; M321-S323 VanDerWaalsContact C-N 3.28Å; M321-S323 PolarHBondContact O-N 2.86Å; S323-E325 VanDerWaalsContact CB-OE2 3.3Å; S323-E325 WeakPolarHBondContact CB-OE2 3.42Å; S323-E325 PolarHBondContact O-N 3.48Å; S323-A326 PolarHBondContact O-N 3.28Å; S323-A326 WeakPolarHBondContact OG-CB 3.37Å; S323-A326 PolarHBondContact OG-N 3.24Å; S323-A326 VanDerWaalsContact OG-N 3.12Å; S323-K327 WeakPolarHBondContact O-CG 3.39Å; S323-K327 PolarHBondContact O-N 3.02Å
324S92.3Very high93.7Very high89 Ų8964.1 Ų64.162%0.62232%0.315SS*.Hα-helixtrans-69.2-31.3178.4-58.80000110.7K327 Q328S324-K327 PolarHBondContact O-N 3.41Å; S324-Q328 WeakPolarHBondContact O-CB 3.29Å; S324-Q328 PolarHBondContact O-N 3.5Å
325E94.1Very high93.3Very high114 Ų11468.7 Ų68.753%0.53334%0.335SS..Hα-helixtrans-64.4-45.6177.6-60.581177.200111W317 S323 K327 Q328 Y329W317-E325 HydrophobicContact CH2-CB 4Å; W317-E325 HydrophobicContact CZ3-CB 3.68Å; S323-E325 VanDerWaalsContact CB-OE2 3.3Å; S323-E325 WeakPolarHBondContact CB-OE2 3.42Å; S323-E325 PolarHBondContact O-N 3.48Å; E325-K327 VanDerWaalsContact C-N 3.34Å; E325-K327 PolarHBondContact O-N 2.84Å; E325-Q328 PolarHBondContact O-N 2.99Å; E325-Y329 WeakPolarHBondContact O-CB 3.3Å; E325-Y329 PolarHBondContact O-N 2.93Å
326A94.4Very high92.9Very high0 Ų065.7 Ų65.70%032%0.322CS..Hα-helixtrans-62.4-41.9174.600000111.6L272 Y276 W317 R320 S323 Q328 Y329 S330L272-A326 HydrophobicContact CD2-CB 4.22Å; L272-A326 VanDerWaalsContact CD2-O 3.24Å; L272-A326 WeakPolarHBondContact CD2-O 3.49Å; Y276-A326 WeakPolarHBondContact OH-CB 3.23Å; W317-A326 HydrophobicContact CE3-CB 3.83Å; W317-A326 HydrophobicContact CZ3-CB 4.49Å; R320-A326 VanDerWaalsContact O-CB 3.31Å; R320-A326 WeakPolarHBondContact O-CB 3.44Å; S323-A326 PolarHBondContact O-N 3.28Å; S323-A326 WeakPolarHBondContact OG-CB 3.37Å; S323-A326 PolarHBondContact OG-N 3.24Å; S323-A326 VanDerWaalsContact OG-N 3.12Å; A326-Q328 PolarHBondContact O-N 3.26Å; A326-Y329 PolarHBondContact O-N 3.15Å; A326-S330 PolarHBondContact O-N 2.68Å
327K93.6Very high92.8Very high71 Ų7161.5 Ų61.531%0.30931%0.307SS..Hα-helixtrans-63-42.2176.4-68.8172-179.7168.80111.3S323 S324 E325 S330 L337S323-K327 WeakPolarHBondContact O-CG 3.39Å; S323-K327 PolarHBondContact O-N 3.02Å; S324-K327 PolarHBondContact O-N 3.41Å; E325-K327 VanDerWaalsContact C-N 3.34Å; E325-K327 PolarHBondContact O-N 2.84Å; K327-S330 WeakPolarHBondContact O-CB 3.41Å; K327-S330 PolarHBondContact O-N 3.06Å; K327-S330 PolarHBondContact O-OG 3.45Å; K327-L337 HydrophobicContact CB-CD1 3.86Å; K327-L337 HydrophobicContact CD-CD1 4.04Å; K327-L337 HydrophobicContact CG-CD1 3.88Å; K327-L337 HydrophobicContact CG-CD2 4.47Å
328Q93.9Very high92.5Very high156 Ų15660 Ų6073%0.72930%0.302SS*.Hα-helixtrans-65.9-42.8175.5-173.6176.5-1.400111.9S324 E325 A326 S330 Q331S324-Q328 WeakPolarHBondContact O-CB 3.29Å; S324-Q328 PolarHBondContact O-N 3.5Å; E325-Q328 PolarHBondContact O-N 2.99Å; A326-Q328 PolarHBondContact O-N 3.26Å; Q328-S330 PolarHBondContact O-N 3.29Å; Q328-Q331 PolarHBondContact O-N 3.27Å
329Y93.9Very high92.2Very high49 Ų4964.7 Ų64.719%0.19234%0.335CS..Hα-helixtrans-60.4-32.5176.6-178.5-91.8000112.6N270 L272 E313 W317 E325 A326 Q331N270-Y329 VanDerWaalsContact ND2-CE1 3.29Å; N270-Y329 WeakPolarHBondContact ND2-CE1 3.38Å; N270-Y329 PolarHBondContact ND2-O 3.07Å; L272-Y329 HydrophobicContact CB-CD1 4.42Å; L272-Y329 HydrophobicContact CD2-CD1 3.65Å; L272-Y329 HydrophobicContact CD2-CE1 4.47Å; L272-Y329 HydrophobicContact CD2-CG 4.5Å; E313-Y329 WeakPolarHBondContact OE1-CE2 3.39Å; E313-Y329 PolarHBondContact OE1-OH 3Å; E313-Y329 PolarHBondContact OE2-OH 2.83Å; W317-Y329 AromaticContact CD1-CD1 3.55Å; W317-Y329 AromaticContact CD1-CE1 3.5Å; W317-Y329 AromaticContact CD1-CG 3.9Å; W317-Y329 AromaticContact CD1-CZ 3.82Å; W317-Y329 HydrophobicContact CD2-CD1 4.49Å; W317-Y329 HydrophobicContact CD2-CG 4.31Å; W317-Y329 AromaticContact CE2-CD2 3.85Å; W317-Y329 AromaticContact CE2-CG 3.82Å; W317-Y329 HydrophobicContact CG-CD1 4.07Å; W317-Y329 HydrophobicContact CG-CE1 4.39Å; W317-Y329 HydrophobicContact CG-CG 4.36Å; W317-Y329 HydrophobicContact CZ2-CD2 4.1Å; W317-Y329 HydrophobicContact CZ2-CG 4.32Å; W317-Y329 AromaticContact NE1-CD1 3.68Å; W317-Y329 AromaticContact NE1-CD2 3.46Å; W317-Y329 AromaticContact NE1-CE1 3.72Å; W317-Y329 AromaticContact NE1-CE2 3.49Å; W317-Y329 AromaticContact NE1-CG 3.55Å; W317-Y329 AromaticContact NE1-CZ 3.62Å; E325-Y329 WeakPolarHBondContact O-CB 3.3Å; E325-Y329 PolarHBondContact O-N 2.93Å; A326-Y329 PolarHBondContact O-N 3.15Å; Y329-Q331 PolarHBondContact O-N 2.86Å
330S92.4Very high91.9Very high2 Ų263.5 Ų63.51%0.01433%0.332CS..THydrogen-bonded Turntrans-65.1-21.2174.981.70000113.9A273 A326 K327 Q328 L332A273-S330 WeakPolarHBondContact CB-O 3.23Å; A326-S330 PolarHBondContact O-N 2.68Å; K327-S330 WeakPolarHBondContact O-CB 3.41Å; K327-S330 PolarHBondContact O-N 3.06Å; K327-S330 PolarHBondContact O-OG 3.45Å; Q328-S330 PolarHBondContact O-N 3.29Å; S330-L332 PolarHBondContact O-N 3.46Å; S330-L332 PolarHBondContact OG-N 3.38Å
331Q91.8Very high91.6Very high142 Ų14260.1 Ų60.166%0.66432%0.323SS*.THydrogen-bonded Turntrans53.526.7-175.5-54.81721900112.9R269 Q328 Y329R269-Q331 PolarHBondContact NH2-O 2.95Å; Q328-Q331 PolarHBondContact O-N 3.27Å; Y329-Q331 PolarHBondContact O-N 2.86Å
332L91.5Very high91.5Very high15 Ų1560.6 Ų60.68%0.07933%0.327CS..  trans-90.8143.7175.3-66.8169.6000110.5Y212 A273 Y276 L277 S330 L337Y212-L332 HydrophobicContact CD2-CD2 3.47Å; Y212-L332 VanDerWaalsContact CD2-CD2 3.47Å; Y212-L332 HydrophobicContact CE2-CD2 3.95Å; Y212-L332 HydrophobicContact CG-CD2 4.29Å; A273-L332 HydrophobicContact CB-CD1 3.95Å; A273-L332 HydrophobicContact CB-CD2 4.3Å; A273-L332 HydrophobicContact CB-CG 4Å; Y276-L332 HydrophobicContact CD2-CD1 4.29Å; Y276-L332 HydrophobicContact CG-CD1 4.46Å; L277-L332 HydrophobicContact CD1-CD2 4.17Å; L277-L332 HydrophobicContact CD2-CD1 4.38Å; L277-L332 HydrophobicContact CD2-CD2 4Å; L277-L332 HydrophobicContact CG-CD1 4.1Å; L277-L332 HydrophobicContact CG-CD2 4.07Å; S330-L332 PolarHBondContact O-N 3.46Å; S330-L332 PolarHBondContact OG-N 3.38Å; L332-L337 HydrophobicContact CB-CD2 3.99Å; L332-L337 HydrophobicContact CB-CG 4.46Å; L332-L337 HydrophobicContact CD1-CD2 4.06Å
333P89.5Confident91.4Very high32 Ų3264.9 Ų64.921%0.20834%0.341CS..  trans-64.8146.7170.528.1-34.6000110Y212 Y215 K335 L336Y212-P333 HydrophobicContact CE2-CG 4.43Å; Y215-P333 HydrophobicContact CD1-CG 4.02Å; Y215-P333 HydrophobicContact CE1-CB 4.1Å; Y215-P333 HydrophobicContact CE1-CG 3.49Å; Y215-P333 VanDerWaalsContact CE1-CG 3.49Å; P333-K335 PolarHBondContact O-N 3.01Å; P333-L336 HydrophobicContact CG-CB 4.24Å; P333-L336 HydrophobicContact CG-CD1 3.71Å; P333-L336 HydrophobicContact CG-CG 3.96Å; P333-L336 PolarHBondContact O-N 3.33Å
334P88.5Confident91.5Very high112 Ų11264.8 Ų64.873%0.72734%0.337SS*.G310 helixtrans-54-32.3-175.9-2935000115L336 L337P334-L336 PolarHBondContact O-N 3.35Å; P334-L337 PolarHBondContact O-N 3.45Å
335K87.1Confident91.5Very high96 Ų9663.8 Ų63.842%0.41732%0.323SS..G310 helixtrans-62.5-25.8178.2-68.1-176179.2175.70113.5S229 T231 L233 P333S229-K335 PolarHBondContact O-NZ 3.14Å; T231-K335 PolarHBondContact O-NZ 3.45Å; L233-K335 HydrophobicContact CD2-CB 4.34Å; L233-K335 WeakPolarHBondContact CD2-O 3.5Å; P333-K335 PolarHBondContact O-N 3.01Å
336L90.3Very high91.4Very high0 Ų059.3 Ų59.30%030%0.304CS..G310 helixtrans-96.6-6.9-178.8-67.7-179.9000113.6I211 Y212 Y215 L233 L277 N280 P333 P334I211-L336 HydrophobicContact CD1-CD2 3.96Å; I211-L336 HydrophobicContact CG1-CD2 4.46Å; Y212-L336 HydrophobicContact CD2-CD1 3.52Å; Y212-L336 HydrophobicContact CE2-CD1 4.22Å; Y212-L336 HydrophobicContact CG-CD1 4.37Å; Y215-L336 HydrophobicContact CD1-CD1 3.76Å; Y215-L336 HydrophobicContact CD1-CG 4.42Å; Y215-L336 HydrophobicContact CE1-CD1 4.37Å; Y215-L336 HydrophobicContact CG-CD1 3.91Å; Y215-L336 HydrophobicContact CG-CD2 4.47Å; Y215-L336 HydrophobicContact CG-CG 4.39Å; L233-L336 HydrophobicContact CD2-CD2 3.61Å; L277-L336 HydrophobicContact CD2-CB 4.11Å; L277-L336 HydrophobicContact CD2-CD1 4.21Å; N280-L336 WeakPolarHBondContact CB-O 3.26Å; N280-L336 PolarHBondContact ND2-O 3.14Å; P333-L336 HydrophobicContact CG-CB 4.24Å; P333-L336 HydrophobicContact CG-CD1 3.71Å; P333-L336 HydrophobicContact CG-CG 3.96Å; P333-L336 PolarHBondContact O-N 3.33Å; P334-L336 PolarHBondContact O-N 3.35Å
337L92.7Very high91.5Very high28 Ų2860 Ų6015%0.14731%0.307CS..SBendtrans-74.6143.4172.7-64.4173.6000109.6Y276 N280 K327 L332 P334Y276-L337 HydrophobicContact CD1-CD2 4.38Å; Y276-L337 HydrophobicContact CD2-CD2 3.88Å; Y276-L337 HydrophobicContact CE2-CD2 4.27Å; Y276-L337 HydrophobicContact CG-CD2 3.93Å; N280-L337 PolarHBondContact ND2-O 3.16Å; K327-L337 HydrophobicContact CB-CD1 3.86Å; K327-L337 HydrophobicContact CD-CD1 4.04Å; K327-L337 HydrophobicContact CG-CD1 3.88Å; K327-L337 HydrophobicContact CG-CD2 4.47Å; L332-L337 HydrophobicContact CB-CD2 3.99Å; L332-L337 HydrophobicContact CB-CG 4.46Å; L332-L337 HydrophobicContact CD1-CD2 4.06Å; P334-L337 PolarHBondContact O-N 3.45Å
338P92.4Very high91.7Very high8 Ų859 Ų595%0.05230%0.303CS..  trans-68.5148.7171.131.2-34.8000110.2Y276 L279 N280 E283 L340 T341Y276-P338 HydrophobicContact CD1-CG 3.7Å; Y276-P338 HydrophobicContact CE1-CG 4.42Å; L279-P338 HydrophobicContact CB-CB 4.07Å; L279-P338 HydrophobicContact CB-CG 3.97Å; N280-P338 HydrophobicContact CB-CB 4.36Å; E283-P338 WeakPolarHBondContact OE2-CA 3.31Å; E283-P338 WeakPolarHBondContact OE2-CB 3.12Å; P338-L340 WeakPolarHBondContact CB-O 3.33Å; P338-T341 HydrophobicContact CG-CG2 4.1Å
339S90Very high91.9Very high103 Ų10352.1 Ų52.172%0.7227%0.272SS*.SBendtrans-81.6-27.3173.487.60000112E283E283-S339 WeakPolarHBondContact OE1-CB 3.5Å; E283-S339 PolarHBondContact OE1-N 2.9Å; E283-S339 PolarHBondContact OE1-OG 3.39Å; E283-S339 PolarHBondContact OE2-N 2.87Å
340L87.9Confident92.1Very high86 Ų8649.8 Ų49.845%0.4526%0.263SS..  trans-112.1127.6174-64.9168.9000110.6E283 L291 P338E283-L340 WeakPolarHBondContact OE1-CG 3.4Å; E283-L340 PolarHBondContact OE1-N 3.42Å; L291-L340 HydrophobicContact CD1-CB 3.89Å; L291-L340 VanDerWaalsContact CD1-O 3.28Å; L291-L340 WeakPolarHBondContact CD1-O 3.46Å; P338-L340 WeakPolarHBondContact CB-O 3.33Å
341T89.2Confident92.3Very high32 Ų3249.7 Ų49.720%0.19626%0.262CS..  trans-115.5104.8-179.627.10000108.6Y276 M321 D322 P338Y276-T341 HydrophobicContact CE1-CG2 3.97Å; M321-T341 HydrophobicContact CB-CG2 4Å; D322-T341 WeakPolarHBondContact OD1-CB 3.44Å; D322-T341 PolarHBondContact OD1-OG1 3.43Å; P338-T341 HydrophobicContact CG-CG2 4.1Å
342P90.2Very high92.4Very high17 Ų1743.2 Ų43.211%0.1123%0.233CC..PPolyproline II helixtrans-70.5149.3-179.530.7-34.9000110.4L279 L291 M295 M321L279-P342 HydrophobicContact CD1-CG 4.45Å; L279-P342 HydrophobicContact CD2-CG 3.71Å; L291-P342 HydrophobicContact CD2-CG 4.31Å; M295-P342 HydrophobicContact CE-CG 4.32Å; M295-P342 HydrophobicContact SD-CG 4.27Å; M321-P342 WeakPolarHBondContact CE-O 3.11Å
343K90.8Very high92.5Very high182 Ų18248.7 Ų48.779%0.79126%0.262SS*.PPolyproline II helixtrans-82.2126.9167.7-68.3-173.7177.2-174.70108.8
344F94.1Very high92.7Very high27 Ų2755.7 Ų55.712%0.11828%0.284CS..PPolyproline II helixtrans-72.6136.8172.7-61.4-70.2000110.3L253 M295 C297 L318 M321 S346 I347L253-F344 HydrophobicContact CB-CE1 4.33Å; L253-F344 HydrophobicContact CD2-CE1 3.82Å; L253-F344 HydrophobicContact CD2-CZ 3.67Å; M295-F344 HydrophobicContact CB-CD1 4.24Å; M295-F344 HydrophobicContact CG-CD1 3.84Å; M295-F344 HydrophobicContact CG-CE1 3.78Å; M295-F344 CarbonylContact O-C 3.55Å; M295-F344 VanDerWaalsContact O-CA 3.27Å; M295-F344 WeakPolarHBondContact O-CA 3.1Å; M295-F344 HydrophobicContact SD-CD1 4.15Å; M295-F344 HydrophobicContact SD-CE1 3.52Å; M295-F344 VanDerWaalsContact SD-CE1 3.52Å; M295-F344 HydrophobicContact SD-CZ 4.47Å; C297-F344 HydrophobicContact CB-CD1 3.75Å; C297-F344 HydrophobicContact CB-CD2 4.16Å; C297-F344 HydrophobicContact CB-CE1 3.79Å; C297-F344 HydrophobicContact CB-CE2 4.2Å; C297-F344 HydrophobicContact CB-CG 3.94Å; C297-F344 HydrophobicContact CB-CZ 4.04Å; L318-F344 HydrophobicContact CB-CD2 4.49Å; L318-F344 HydrophobicContact CB-CE2 4.29Å; L318-F344 HydrophobicContact CD2-CE2 3.81Å; L318-F344 HydrophobicContact CD2-CZ 4.38Å; M321-F344 HydrophobicContact CE-CD2 3.85Å; M321-F344 HydrophobicContact CE-CE2 3.22Å; M321-F344 HydrophobicContact CE-CZ 3.84Å; M321-F344 HydrophobicContact SD-CE2 3.71Å; M321-F344 HydrophobicContact SD-CZ 4.22Å; F344-S346 WeakPolarHBondContact CB-O 3.28Å; F344-S346 PolarHBondContact O-N 3.49Å; F344-I347 HydrophobicContact CB-CG1 4.13Å; F344-I347 HydrophobicContact CD2-CD1 4.32Å; F344-I347 HydrophobicContact CD2-CG1 4.13Å; F344-I347 HydrophobicContact CG-CG1 4.36Å
345E92.3Very high92.9Very high68 Ų6855.7 Ų55.732%0.31827%0.274SS..SBendtrans-62.2-32.1170.7-64.7-71.4164.400110.6M295 R375M295-E345 PolarHBondContact O-N 3.18Å; E345-R375 IonicContact OE1-CZ 3.51Å; E345-R375 IonicContact OE1-NH1 3.24Å; E345-R375 PolarHBondContact OE1-NH1 3Å; E345-R375 IonicContact OE1-NH2 2.82Å; E345-R375 IonicContact OE2-CZ 3.87Å; E345-R375 IonicContact OE2-NH1 3.78Å; E345-R375 PolarHBondContact OE2-NH1 3.07Å; E345-R375 IonicContact OE2-NH2 3.7Å; E345-R375 PolarHBondContact OE2-NH2 3.39Å
346S93.8Very high93.3Very high20 Ų2053.9 Ų53.914%0.1427%0.271CS..  trans-159.716816984.10000112C297 F344 E348 W368C297-S346 PolarHBondContact N-O 3.22Å; F344-S346 WeakPolarHBondContact CB-O 3.28Å; F344-S346 PolarHBondContact O-N 3.49Å; S346-E348 PolarHBondContact OG-OE1 3.49Å; S346-W368 WeakPolarHBondContact OG-CH2 3.27Å; S346-W368 WeakPolarHBondContact OG-CZ2 3.23Å
347I96.5Very high93.5Very high13 Ų1357.2 Ų57.27%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-129.2109.4168.9-58.4153.1000108C297 L299 K315 L318 E319 F344C297-I347 HydrophobicContact CB-CG1 4.04Å; C297-I347 HydrophobicContact CB-CG2 4.36Å; C297-I347 WeakPolarHBondContact O-CA 3.38Å; L299-I347 HydrophobicContact CD1-CG2 3.85Å; L299-I347 HydrophobicContact CG-CG2 4.27Å; K315-I347 HydrophobicContact CB-CG2 4.04Å; K315-I347 HydrophobicContact CD-CB 4.34Å; K315-I347 HydrophobicContact CD-CG2 4.14Å; K315-I347 HydrophobicContact CG-CB 4.13Å; K315-I347 HydrophobicContact CG-CD1 4.32Å; K315-I347 HydrophobicContact CG-CG2 3.82Å; K315-I347 PolarHBondContact NZ-O 3.44Å; L318-I347 HydrophobicContact CB-CD1 3.55Å; L318-I347 HydrophobicContact CB-CG1 4.32Å; L318-I347 HydrophobicContact CD1-CG2 4.09Å; E319-I347 HydrophobicContact CG-CD1 3.6Å; F344-I347 HydrophobicContact CB-CG1 4.13Å; F344-I347 HydrophobicContact CD2-CD1 4.32Å; F344-I347 HydrophobicContact CD2-CG1 4.13Å; F344-I347 HydrophobicContact CG-CG1 4.36Å
348E97Very high93.6Very high50 Ų5056.2 Ų56.223%0.23428%0.284CS..EExtended strand (participates in β ladder)trans-104.7139.5-177.1-58.3-60.9166.600111.5C297 I298 L299 S346 V350 L361 W368C297-E348 PolarHBondContact O-N 2.83Å; I298-E348 WeakPolarHBondContact CA-O 3.42Å; L299-E348 PolarHBondContact N-O 3.16Å; S346-E348 PolarHBondContact OG-OE1 3.49Å; E348-V350 HydrophobicContact CB-CG1 4.41Å; E348-L361 HydrophobicContact CB-CD1 4.2Å; E348-L361 HydrophobicContact CG-CD1 3.91Å; E348-W368 HydrophobicContact CG-CH2 3.94Å; E348-W368 HydrophobicContact CG-CZ2 4.35Å
349L97.9Very high93.7Very high12 Ų1259.9 Ų59.96%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-104.4120.8176.7-78.874000108.3L299 V302 M308 A311 L312 K315 N357L299-L349 HydrophobicContact CB-CG 4.24Å; L299-L349 HydrophobicContact CD1-CD1 4.03Å; L299-L349 HydrophobicContact CD1-CG 4.21Å; L299-L349 WeakPolarHBondContact O-CA 3.26Å; V302-L349 HydrophobicContact CG1-CB 4.13Å; V302-L349 HydrophobicContact CG1-CG 4.46Å; M308-L349 HydrophobicContact CE-CD2 3.85Å; M308-L349 HydrophobicContact SD-CD2 3.91Å; A311-L349 HydrophobicContact CB-CD2 3.58Å; A311-L349 HydrophobicContact CB-CG 4Å; L312-L349 HydrophobicContact CD2-CD2 3.86Å; L312-L349 HydrophobicContact CG-CD2 4.12Å; K315-L349 HydrophobicContact CB-CD1 4.4Å; K315-L349 HydrophobicContact CD-CD1 3.64Å; L349-N357 WeakPolarHBondContact O-CB 3.21Å; L349-N357 PolarHBondContact O-ND2 3.29Å
350V97.5Very high93.8Very high0 Ų060.4 Ų60.40%030%0.298CS..  trans-139.5157.8-173.7-55.20000112.8L166 I298 L299 N300 K301 V302 E348 N357 I358 L361L166-V350 HydrophobicContact CD1-CG2 4.16Å; I298-V350 HydrophobicContact CG2-CB 4.5Å; I298-V350 HydrophobicContact CG2-CG1 4.4Å; I298-V350 HydrophobicContact CG2-CG2 3.33Å; L299-V350 PolarHBondContact O-N 2.95Å; N300-V350 CarbonylContact C-O 3.4Å; N300-V350 VanDerWaalsContact CA-O 3.3Å; N300-V350 WeakPolarHBondContact CA-O 3.32Å; N300-V350 HydrophobicContact CB-CG2 4.34Å; K301-V350 PolarHBondContact N-O 2.82Å; K301-V350 VanDerWaalsContact N-O 3.07Å; V302-V350 WeakPolarHBondContact CG2-O 3.11Å; V302-V350 PolarHBondContact N-O 2.94Å; E348-V350 HydrophobicContact CB-CG1 4.41Å; V350-N357 HydrophobicContact CG1-CB 4.11Å; V350-I358 HydrophobicContact CB-CD1 4.09Å; V350-I358 HydrophobicContact CG1-CD1 4.45Å; V350-I358 HydrophobicContact CG2-CD1 4.43Å; V350-L361 HydrophobicContact CG1-CB 4.33Å; V350-L361 HydrophobicContact CG1-CD2 3.95Å
351S97Very high94.2Very high0 Ų056.4 Ų56.40%028%0.277CS..BIsolated β-bridgetrans-118.9106.5160.71770000109.3D303 L353 R354 H355 T356D303-S351 VanDerWaalsContact OD1-CB 3.31Å; D303-S351 WeakPolarHBondContact OD1-CB 3.36Å; D303-S351 PolarHBondContact OD1-OG 2.99Å; S351-L353 PolarHBondContact O-N 3.21Å; S351-L353 PolarHBondContact OG-N 3.06Å; S351-R354 PolarHBondContact OG-N 3.06Å; S351-H355 CarbonylContact O-C 3.34Å; S351-H355 VanDerWaalsContact O-CA 3.3Å; S351-H355 WeakPolarHBondContact O-CA 3.18Å; S351-H355 PolarHBondContact O-N 3.38Å; S351-T356 PolarHBondContact N-O 3.33Å; S351-T356 VanDerWaalsContact N-O 3.09Å; S351-T356 PolarHBondContact O-N 2.77Å; S351-T356 VanDerWaalsContact O-N 3.12Å
352A94.2Very high94.4Very high7 Ų757.3 Ų57.36%0.05828%0.279CS..THydrogen-bonded Turntrans-62.6-26.8172.400000112.6L166 A169 N300L166-A352 HydrophobicContact CB-CB 4.06Å; L166-A352 HydrophobicContact CD1-CB 4.2Å; A169-A352 HydrophobicContact CB-CB 4.45Å; N300-A352 PolarHBondContact OD1-N 2.96Å; N300-A352 VanDerWaalsContact OD1-N 3.09Å
353L92.9Very high94.5Very high129 Ų12961.9 Ų61.968%0.67530%0.299SS*.THydrogen-bonded Turntrans-79.1-43.5-179.2-178.962.8000112.1S351S351-L353 PolarHBondContact O-N 3.21Å; S351-L353 PolarHBondContact OG-N 3.06Å
354R93.9Very high94.7Very high179 Ų17954.4 Ų54.468%0.67527%0.269SS*.THydrogen-bonded Turntrans-92.41.8-179.4-61.2-61.2-175163.71.2113.6D303 S351 T356D303-R354 HydrophobicContact CB-CB 4.36Å; D303-R354 HydrophobicContact CB-CG 3.56Å; S351-R354 PolarHBondContact OG-N 3.06Å; R354-T356 PolarHBondContact O-N 2.84Å
355H93.4Very high94.6Very high113 Ų11353.1 Ų53.152%0.52326%0.264SS..THydrogen-bonded Turntrans55.825.4-172.9-68.4-96.3000114S351 I358S351-H355 CarbonylContact O-C 3.34Å; S351-H355 VanDerWaalsContact O-CA 3.3Å; S351-H355 WeakPolarHBondContact O-CA 3.18Å; S351-H355 PolarHBondContact O-N 3.38Å; H355-I358 HydrophobicContact CB-CG1 4.48Å
356T94.6Very high94.6Very high58 Ų5852.4 Ų52.436%0.35626%0.258SS..BIsolated β-bridgetrans-72.8128.9177.6-47.90000110.1S351 R354 I358S351-T356 PolarHBondContact N-O 3.33Å; S351-T356 VanDerWaalsContact N-O 3.09Å; S351-T356 PolarHBondContact O-N 2.77Å; S351-T356 VanDerWaalsContact O-N 3.12Å; R354-T356 PolarHBondContact O-N 2.84Å; T356-I358 PolarHBondContact O-N 3.4Å
357N95.2Very high94.5Very high69 Ų6954.8 Ų54.837%0.36927%0.269SS..THydrogen-bonded Turntrans60.713.4-179.6-59.2-10.6000115.5L349 V350 E360 L361L349-N357 WeakPolarHBondContact O-CB 3.21Å; L349-N357 PolarHBondContact O-ND2 3.29Å; V350-N357 HydrophobicContact CG1-CB 4.11Å; N357-E360 VanDerWaalsContact C-OE2 3.28Å; N357-E360 WeakPolarHBondContact CA-OE2 3.16Å; N357-L361 VanDerWaalsContact O-CB 3.3Å; N357-L361 WeakPolarHBondContact O-CB 3.49Å; N357-L361 PolarHBondContact O-N 2.87Å
358I95.3Very high94.2Very high8 Ų855.2 Ų55.24%0.04127%0.27CS..Hα-helixtrans-71.5-43-179.6-62.9-60.2000112.7L166 A169 L170 V350 H355 T356 E360 L361 K362L166-I358 HydrophobicContact CD1-CD1 3.69Å; A169-I358 HydrophobicContact CB-CD1 4.3Å; A169-I358 HydrophobicContact CB-CG1 4.3Å; A169-I358 HydrophobicContact CB-CG2 4.28Å; L170-I358 HydrophobicContact CD2-CG2 4.1Å; V350-I358 HydrophobicContact CB-CD1 4.09Å; V350-I358 HydrophobicContact CG1-CD1 4.45Å; V350-I358 HydrophobicContact CG2-CD1 4.43Å; H355-I358 HydrophobicContact CB-CG1 4.48Å; T356-I358 PolarHBondContact O-N 3.4Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 2.89Å; I358-L361 PolarHBondContact O-N 3.32Å; I358-K362 WeakPolarHBondContact O-CB 3.5Å; I358-K362 PolarHBondContact O-N 2.89Å
359P92.9Very high93.9Very high84 Ų8453.6 Ų53.655%0.54526%0.263SS..Hα-helixtrans-58.6-44174.8-25.135.8000112.8K362 E363P359-K362 WeakPolarHBondContact O-CB 3.3Å; P359-K362 PolarHBondContact O-N 2.9Å; P359-E363 PolarHBondContact O-N 3.46Å
360E94.1Very high93.4Very high115 Ų11555.4 Ų55.454%0.53727%0.273SS..Hα-helixtrans-65.6-44.5178.8-62.878.5-175.900110.9N357 I358 K362 E363 S364N357-E360 VanDerWaalsContact C-OE2 3.28Å; N357-E360 WeakPolarHBondContact CA-OE2 3.16Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 2.89Å; E360-K362 VanDerWaalsContact C-N 3.29Å; E360-K362 PolarHBondContact O-N 2.97Å; E360-E363 PolarHBondContact O-N 2.83Å; E360-S364 WeakPolarHBondContact O-CB 3.33Å; E360-S364 PolarHBondContact O-N 2.57Å
361L94.9Very high93Very high1 Ų159.8 Ų59.81%0.00529%0.293CS..Hα-helixtrans-58.4-42.9173.417462.9000111L166 L170 I298 E348 V350 N357 I358 S364 L365 W368L166-L361 HydrophobicContact CD1-CD2 4.07Å; L170-L361 HydrophobicContact CD1-CD2 4.23Å; L170-L361 HydrophobicContact CD2-CD2 3.93Å; L170-L361 HydrophobicContact CD2-CG 4.04Å; L170-L361 HydrophobicContact CG-CD2 4.47Å; I298-L361 HydrophobicContact CD1-CD1 4.27Å; I298-L361 HydrophobicContact CD1-CD2 4.01Å; E348-L361 HydrophobicContact CB-CD1 4.2Å; E348-L361 HydrophobicContact CG-CD1 3.91Å; V350-L361 HydrophobicContact CG1-CB 4.33Å; V350-L361 HydrophobicContact CG1-CD2 3.95Å; N357-L361 VanDerWaalsContact O-CB 3.3Å; N357-L361 WeakPolarHBondContact O-CB 3.49Å; N357-L361 PolarHBondContact O-N 2.87Å; I358-L361 PolarHBondContact O-N 3.32Å; L361-S364 WeakPolarHBondContact O-CB 3.2Å; L361-S364 PolarHBondContact O-N 3.45Å; L361-L365 HydrophobicContact CD1-CD1 4.4Å; L361-L365 HydrophobicContact CD1-CD2 4.45Å; L361-L365 HydrophobicContact CD1-CG 4.11Å; L361-L365 HydrophobicContact CG-CD1 4.23Å; L361-L365 HydrophobicContact CG-CG 4.38Å; L361-L365 VanDerWaalsContact O-CG 3.27Å; L361-L365 WeakPolarHBondContact O-CG 3.08Å; L361-L365 PolarHBondContact O-N 2.83Å; L361-W368 HydrophobicContact CD1-CH2 4.28Å
362K93.6Very high92.5Very high52 Ų5260.5 Ų60.523%0.22630%0.297CS..Hα-helixtrans-61.5-47.3178.6-173.9178.2175.5-179.40111.3L170 I193 Y194 I358 P359 E360 S364 L365 R366L170-K362 HydrophobicContact CD2-CB 4.17Å; I193-K362 WeakPolarHBondContact O-CE 3.34Å; I193-K362 PolarHBondContact O-NZ 2.8Å; Y194-K362 HydrophobicContact CE1-CD 4.42Å; Y194-K362 HydrophobicContact CE1-CG 3.66Å; Y194-K362 WeakPolarHBondContact CE1-O 3.43Å; Y194-K362 PolarHBondContact OH-O 2.67Å; I358-K362 WeakPolarHBondContact O-CB 3.5Å; I358-K362 PolarHBondContact O-N 2.89Å; P359-K362 WeakPolarHBondContact O-CB 3.3Å; P359-K362 PolarHBondContact O-N 2.9Å; E360-K362 VanDerWaalsContact C-N 3.29Å; E360-K362 PolarHBondContact O-N 2.97Å; K362-S364 VanDerWaalsContact C-N 3.29Å; K362-S364 PolarHBondContact O-N 3.4Å; K362-L365 PolarHBondContact O-N 3.09Å; K362-R366 PolarHBondContact O-N 3.39Å
363E93.4Very high91.9Very high113 Ų11365.6 Ų65.653%0.52832%0.319SS..Hα-helixtrans-57.9-43.2173.6-164.386.7-163.500111.5P359 E360 R366 N367P359-E363 PolarHBondContact O-N 3.46Å; E360-E363 PolarHBondContact O-N 2.83Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 3.47Å; E363-N367 PolarHBondContact O-N 3.41Å; E363-N367 VanDerWaalsContact O-N 3.12Å; E363-N367 PolarHBondContact O-ND2 2.86Å
364S93.3Very high91.5Very high25 Ų2564.1 Ų64.118%0.17531%0.311CS..Hα-helixtrans-64.9-43.2-178.8-152.60000112.3E360 L361 K362 R366 N367 W368E360-S364 WeakPolarHBondContact O-CB 3.33Å; E360-S364 PolarHBondContact O-N 2.57Å; L361-S364 WeakPolarHBondContact O-CB 3.2Å; L361-S364 PolarHBondContact O-N 3.45Å; K362-S364 VanDerWaalsContact C-N 3.29Å; K362-S364 PolarHBondContact O-N 3.4Å; S364-R366 VanDerWaalsContact C-N 3.28Å; S364-R366 PolarHBondContact O-N 3.03Å; S364-N367 PolarHBondContact O-N 2.85Å; S364-N367 VanDerWaalsContact O-N 3.15Å; S364-W368 VanDerWaalsContact O-CG 3.27Å; S364-W368 PolarHBondContact O-N 3.42Å; S364-W368 VanDerWaalsContact OG-CE2 3.23Å; S364-W368 WeakPolarHBondContact OG-CZ2 3.18Å; S364-W368 PolarHBondContact OG-NE1 3.46Å
365L93.2Very high91Very high0 Ų060.5 Ų60.50%030%0.298CS..Hα-helixtrans-59.6-37.1175.3-71.5174.2000112.7Y153 L170 I202 L252 L361 K362 W368 L369Y153-L365 HydrophobicContact CD1-CD2 4.25Å; Y153-L365 HydrophobicContact CD2-CD2 4.42Å; Y153-L365 HydrophobicContact CE1-CD2 3.85Å; Y153-L365 HydrophobicContact CE2-CB 4.05Å; Y153-L365 HydrophobicContact CE2-CD2 4Å; Y153-L365 PolarHBondContact OH-O 2.71Å; L170-L365 HydrophobicContact CD1-CD1 4.01Å; L170-L365 HydrophobicContact CD2-CD1 4.13Å; I202-L365 HydrophobicContact CD1-CD1 4.14Å; L252-L365 HydrophobicContact CD1-CD1 4.31Å; L252-L365 HydrophobicContact CD1-CD2 3.76Å; L252-L365 HydrophobicContact CD2-CD2 3.56Å; L252-L365 HydrophobicContact CG-CD2 4.26Å; L361-L365 HydrophobicContact CD1-CD1 4.4Å; L361-L365 HydrophobicContact CD1-CD2 4.45Å; L361-L365 HydrophobicContact CD1-CG 4.11Å; L361-L365 HydrophobicContact CG-CD1 4.23Å; L361-L365 HydrophobicContact CG-CG 4.38Å; L361-L365 VanDerWaalsContact O-CG 3.27Å; L361-L365 WeakPolarHBondContact O-CG 3.08Å; L361-L365 PolarHBondContact O-N 2.83Å; K362-L365 PolarHBondContact O-N 3.09Å; L365-W368 HydrophobicContact CD2-CE3 3.78Å; L365-W368 HydrophobicContact CD2-CZ3 3.54Å; L365-W368 HydrophobicContact CG-CZ3 4.35Å; L365-L369 PolarHBondContact O-N 2.98Å
366R92Very high90.2Very high53 Ų5359.5 Ų59.520%0.229%0.292CS..Hα-helixtrans-63.5-51.9173.6175.9-170.3169.7134.98.2110.9Y194 D196 I200 K362 E363 S364 W368 L369 D370Y194-R366 HydrophobicContact CD1-CB 4.38Å; Y194-R366 HydrophobicContact CE1-CB 3.65Å; Y194-R366 HydrophobicContact CE1-CG 4.29Å; D196-R366 IonicContact OD1-CZ 2.83Å; D196-R366 IonicContact OD1-NH1 2.7Å; D196-R366 PolarHBondContact OD1-NH1 2.81Å; D196-R366 IonicContact OD2-CZ 3.88Å; D196-R366 IonicContact OD2-NH1 3.07Å; D196-R366 PolarHBondContact OD2-NH1 2.94Å; D196-R366 IonicContact OD2-NH2 2.67Å; D196-R366 PolarHBondContact OD2-NH2 3.23Å; I200-R366 HydrophobicContact CD1-CB 4.07Å; K362-R366 PolarHBondContact O-N 3.39Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 3.47Å; S364-R366 VanDerWaalsContact C-N 3.28Å; S364-R366 PolarHBondContact O-N 3.03Å; R366-W368 VanDerWaalsContact C-N 3.29Å; R366-W368 PolarHBondContact O-N 3.17Å; R366-L369 PolarHBondContact O-N 3.2Å; R366-D370 PolarHBondContact O-N 2.76Å; R366-D370 VanDerWaalsContact O-N 3.16Å
367N92.1Very high89.2Confident70 Ų7061.5 Ų61.537%0.37430%0.3SS..Hα-helixtrans-61.3-37.6-177.6-69-27.1000112.2E363 S364 D370 Q371E363-N367 PolarHBondContact O-N 3.41Å; E363-N367 VanDerWaalsContact O-N 3.12Å; E363-N367 PolarHBondContact O-ND2 2.86Å; S364-N367 PolarHBondContact O-N 2.85Å; S364-N367 VanDerWaalsContact O-N 3.15Å; N367-D370 PolarHBondContact O-N 3.23Å; N367-Q371 VanDerWaalsContact O-CG 3.32Å; N367-Q371 WeakPolarHBondContact O-CG 3.36Å; N367-Q371 PolarHBondContact O-N 2.74Å
368W90.6Very high88.3Confident21 Ų2165.1 Ų65.18%0.0831%0.312CS..Hα-helixtrans-65.7-42.6176.4-61.5-21.4000112.8L252 A296 S346 E348 L361 S364 L365 R366 D370 Q371 I372L252-W368 HydrophobicContact CD2-CZ3 4.34Å; A296-W368 HydrophobicContact CB-CE3 3.82Å; A296-W368 HydrophobicContact CB-CH2 3.79Å; A296-W368 HydrophobicContact CB-CZ3 3.25Å; S346-W368 WeakPolarHBondContact OG-CH2 3.27Å; S346-W368 WeakPolarHBondContact OG-CZ2 3.23Å; E348-W368 HydrophobicContact CG-CH2 3.94Å; E348-W368 HydrophobicContact CG-CZ2 4.35Å; L361-W368 HydrophobicContact CD1-CH2 4.28Å; S364-W368 VanDerWaalsContact O-CG 3.27Å; S364-W368 PolarHBondContact O-N 3.42Å; S364-W368 VanDerWaalsContact OG-CE2 3.23Å; S364-W368 WeakPolarHBondContact OG-CZ2 3.18Å; S364-W368 PolarHBondContact OG-NE1 3.46Å; L365-W368 HydrophobicContact CD2-CE3 3.78Å; L365-W368 HydrophobicContact CD2-CZ3 3.54Å; L365-W368 HydrophobicContact CG-CZ3 4.35Å; R366-W368 VanDerWaalsContact C-N 3.29Å; R366-W368 PolarHBondContact O-N 3.17Å; W368-D370 VanDerWaalsContact C-N 3.29Å; W368-D370 PolarHBondContact O-N 3.49Å; W368-Q371 PolarHBondContact O-N 3.04Å; W368-I372 WeakPolarHBondContact O-CB 3.44Å; W368-I372 WeakPolarHBondContact O-CD1 3.47Å; W368-I372 WeakPolarHBondContact O-CG1 3.47Å; W368-I372 PolarHBondContact O-N 3.02Å
369L89Confident87.1Confident17 Ų1769.2 Ų69.29%0.08933%0.334CS..Hα-helixtrans-59.9-43.3175.8-76.8-175.8000111.3D152 Y153 I200 L365 R366 Q371 I372 E373D152-L369 HydrophobicContact CB-CD1 3.75Å; D152-L369 HydrophobicContact CB-CD2 4.26Å; Y153-L369 HydrophobicContact CD2-CD1 4.37Å; Y153-L369 HydrophobicContact CE1-CD2 4.46Å; Y153-L369 HydrophobicContact CE2-CD1 3.65Å; Y153-L369 HydrophobicContact CE2-CD2 3.84Å; Y153-L369 HydrophobicContact CE2-CG 3.52Å; Y153-L369 WeakPolarHBondContact OH-CG 3.45Å; I200-L369 HydrophobicContact CB-CD1 4.42Å; I200-L369 HydrophobicContact CD1-CD1 3.58Å; I200-L369 HydrophobicContact CD1-CG 4.5Å; I200-L369 HydrophobicContact CG1-CD1 3.77Å; I200-L369 HydrophobicContact CG2-CD1 3.83Å; L365-L369 PolarHBondContact O-N 2.98Å; R366-L369 PolarHBondContact O-N 3.2Å; L369-Q371 VanDerWaalsContact C-N 3.35Å; L369-Q371 PolarHBondContact O-N 3.19Å; L369-I372 PolarHBondContact O-N 3.34Å; L369-E373 WeakPolarHBondContact O-CB 3.2Å; L369-E373 PolarHBondContact O-N 3.14Å
370D89Confident85.8Confident50 Ų5067.7 Ų67.727%0.26733%0.325SS..Hα-helixtrans-60.3-45.5177.5-70.2-24.3000111.6R198 R366 N367 W368 I372 E373 L374R198-D370 IonicContact CZ-OD1 2.96Å; R198-D370 IonicContact CZ-OD2 3.21Å; R198-D370 IonicContact NH1-OD1 2.9Å; R198-D370 PolarHBondContact NH1-OD1 3Å; R198-D370 IonicContact NH1-OD2 3.84Å; R198-D370 PolarHBondContact NH1-OD2 3.3Å; R198-D370 IonicContact NH2-OD1 2.66Å; R198-D370 PolarHBondContact NH2-OD1 3Å; R366-D370 PolarHBondContact O-N 2.76Å; R366-D370 VanDerWaalsContact O-N 3.16Å; N367-D370 PolarHBondContact O-N 3.23Å; W368-D370 VanDerWaalsContact C-N 3.29Å; W368-D370 PolarHBondContact O-N 3.49Å; D370-I372 PolarHBondContact O-N 2.85Å; D370-E373 PolarHBondContact O-N 3.39Å; D370-L374 WeakPolarHBondContact O-CB 3.39Å; D370-L374 WeakPolarHBondContact O-CG 3.45Å; D370-L374 PolarHBondContact O-N 3.06Å
371Q88.7Confident84.3Confident92 Ų9265.5 Ų65.543%0.4332%0.32SS..Hα-helixtrans-63.3-41.6177-71.5179.816.300112.2N367 W368 L369 L374 R375N367-Q371 VanDerWaalsContact O-CG 3.32Å; N367-Q371 WeakPolarHBondContact O-CG 3.36Å; N367-Q371 PolarHBondContact O-N 2.74Å; W368-Q371 PolarHBondContact O-N 3.04Å; L369-Q371 VanDerWaalsContact C-N 3.35Å; L369-Q371 PolarHBondContact O-N 3.19Å; Q371-L374 PolarHBondContact O-N 3.36Å; Q371-R375 VanDerWaalsContact O-CG 3.26Å; Q371-R375 WeakPolarHBondContact O-CG 3.41Å; Q371-R375 PolarHBondContact O-N 3.3Å
372I85.7Confident82.5Confident15 Ų1567.7 Ų67.78%0.07734%0.339CS..Hα-helixtrans-65.2-43.2178.9-69.5162000110.4C250 P294 W368 L369 D370 R375 K376C250-I372 WeakPolarHBondContact SG-CD1 3.34Å; P294-I372 HydrophobicContact CB-CD1 3.43Å; P294-I372 VanDerWaalsContact CB-CD1 3.43Å; P294-I372 HydrophobicContact CB-CG1 4.05Å; P294-I372 HydrophobicContact CG-CD1 3.83Å; P294-I372 HydrophobicContact CG-CG1 4.04Å; P294-I372 HydrophobicContact CG-CG2 4.09Å; W368-I372 WeakPolarHBondContact O-CB 3.44Å; W368-I372 WeakPolarHBondContact O-CD1 3.47Å; W368-I372 WeakPolarHBondContact O-CG1 3.47Å; W368-I372 PolarHBondContact O-N 3.02Å; L369-I372 PolarHBondContact O-N 3.34Å; D370-I372 PolarHBondContact O-N 2.85Å; I372-R375 PolarHBondContact O-N 3.24Å; I372-K376 WeakPolarHBondContact O-CG 3.32Å; I372-K376 PolarHBondContact O-N 3.17Å
373E82.6Confident80.9Confident113 Ų11369.9 Ų69.953%0.52836%0.356SS..Hα-helixtrans-64.2-42.8177-171166.9-168.100111.6L369 D370 R375 K376 L377L369-E373 WeakPolarHBondContact O-CB 3.2Å; L369-E373 PolarHBondContact O-N 3.14Å; D370-E373 PolarHBondContact O-N 3.39Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-R375 PolarHBondContact O-N 3.15Å; E373-K376 PolarHBondContact O-N 3.42Å; E373-L377 WeakPolarHBondContact O-CG 3.27Å; E373-L377 PolarHBondContact O-N 2.87Å
374L84.3Confident79.1Confident98 Ų9870 Ų7051%0.51336%0.357SS..Hα-helixtrans-60.5-40.5173.1-73.2170.2000112.5D370 Q371 L377 K378D370-L374 WeakPolarHBondContact O-CB 3.39Å; D370-L374 WeakPolarHBondContact O-CG 3.45Å; D370-L374 PolarHBondContact O-N 3.06Å; Q371-L374 PolarHBondContact O-N 3.36Å; L374-L377 PolarHBondContact O-N 2.85Å; L374-K378 WeakPolarHBondContact O-CG 3.4Å; L374-K378 PolarHBondContact O-N 3.4Å
375R82.9Confident77.2Confident104 Ų10473 Ų7339%0.39237%0.37SS..Hα-helixtrans-62.8-46.7174.5-70.8173-158.4171.68.3110.8E345 Q371 I372 E373 L377 K378 D379E345-R375 IonicContact OE1-CZ 3.51Å; E345-R375 IonicContact OE1-NH1 3.24Å; E345-R375 PolarHBondContact OE1-NH1 3Å; E345-R375 IonicContact OE1-NH2 2.82Å; E345-R375 IonicContact OE2-CZ 3.87Å; E345-R375 IonicContact OE2-NH1 3.78Å; E345-R375 PolarHBondContact OE2-NH1 3.07Å; E345-R375 IonicContact OE2-NH2 3.7Å; E345-R375 PolarHBondContact OE2-NH2 3.39Å; Q371-R375 VanDerWaalsContact O-CG 3.26Å; Q371-R375 WeakPolarHBondContact O-CG 3.41Å; Q371-R375 PolarHBondContact O-N 3.3Å; I372-R375 PolarHBondContact O-N 3.24Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-R375 PolarHBondContact O-N 3.15Å; R375-L377 VanDerWaalsContact C-N 3.32Å; R375-L377 PolarHBondContact O-N 3.39Å; R375-K378 PolarHBondContact O-N 2.83Å; R375-D379 PolarHBondContact O-N 3.1Å
376K75.8Confident75.5Confident92 Ų9279.7 Ų79.740%0.440%0.399SS..Hα-helixtrans-58.4-42176.5-73.2-176.5177.9-172.50112.1D7 I372 E373 D379 S380D7-K376 IonicContact OD2-NZ 2.71Å; D7-K376 PolarHBondContact OD2-NZ 3.48Å; I372-K376 WeakPolarHBondContact O-CG 3.32Å; I372-K376 PolarHBondContact O-N 3.17Å; E373-K376 PolarHBondContact O-N 3.42Å; K376-D379 PolarHBondContact O-N 3.01Å; K376-S380 WeakPolarHBondContact O-CB 3.18Å; K376-S380 PolarHBondContact O-N 2.68Å
377L74.8Confident73.7Confident99 Ų9979.8 Ų79.852%0.51841%0.408SS..Hα-helixtrans-64.3-44.2176.7-73.2169.7000112E373 L374 R375 S380 T381E373-L377 WeakPolarHBondContact O-CG 3.27Å; E373-L377 PolarHBondContact O-N 2.87Å; L374-L377 PolarHBondContact O-N 2.85Å; R375-L377 VanDerWaalsContact C-N 3.32Å; R375-L377 PolarHBondContact O-N 3.39Å; L377-S380 PolarHBondContact O-N 2.94Å; L377-S380 PolarHBondContact O-OG 3.37Å; L377-T381 PolarHBondContact O-N 3.46Å; L377-T381 PolarHBondContact O-OG1 3.07Å
378K76.1Confident71.7Confident146 Ų14682 Ų8264%0.63542%0.416SS*.Hα-helixtrans-61.8-42.6175.6-73.9177.4-178.1-178.90112.3L374 R375 S380 T381 A382L374-K378 WeakPolarHBondContact O-CG 3.4Å; L374-K378 PolarHBondContact O-N 3.4Å; R375-K378 PolarHBondContact O-N 2.83Å; K378-S380 VanDerWaalsContact C-N 3.35Å; K378-S380 PolarHBondContact O-N 2.91Å; K378-T381 WeakPolarHBondContact CA-OG1 3.49Å; K378-T381 PolarHBondContact O-N 3.49Å; K378-T381 PolarHBondContact O-OG1 3.23Å; K378-A382 VanDerWaalsContact O-CB 3.31Å; K378-A382 WeakPolarHBondContact O-CB 3.5Å; K378-A382 PolarHBondContact O-N 3.03Å
379D70.8Confident70.2Confident94 Ų9486 Ų8650%0.50344%0.436SS..Hα-helixtrans-65.1-40.6176.8-73.8-17.5000111.5R375 K376 T381 A382 V383R375-D379 PolarHBondContact O-N 3.1Å; K376-D379 PolarHBondContact O-N 3.01Å; D379-T381 PolarHBondContact O-N 3.38Å; D379-A382 PolarHBondContact O-N 3.07Å; D379-V383 WeakPolarHBondContact O-CB 3.47Å; D379-V383 WeakPolarHBondContact O-CG2 3.37Å; D379-V383 PolarHBondContact O-N 2.92Å
380S64.8Low68.7Low51 Ų5191.3 Ų91.336%0.35746%0.461SS..Hα-helixtrans-64-41.6178.278.40000112.6K376 L377 K378 Q384K376-S380 WeakPolarHBondContact O-CB 3.18Å; K376-S380 PolarHBondContact O-N 2.68Å; L377-S380 PolarHBondContact O-N 2.94Å; L377-S380 PolarHBondContact O-OG 3.37Å; K378-S380 VanDerWaalsContact C-N 3.35Å; K378-S380 PolarHBondContact O-N 2.91Å; S380-Q384 WeakPolarHBondContact O-CG 3.29Å; S380-Q384 PolarHBondContact O-N 2.74Å
381T61.8Low67.2Low70 Ų7095.9 Ų95.943%0.42948%0.479SS..Hα-helixtrans-71.3-42.1178.345.10000111.4L377 K378 D379 V383 Q384 I385L377-T381 PolarHBondContact O-N 3.46Å; L377-T381 PolarHBondContact O-OG1 3.07Å; K378-T381 WeakPolarHBondContact CA-OG1 3.49Å; K378-T381 PolarHBondContact O-N 3.49Å; K378-T381 PolarHBondContact O-OG1 3.23Å; D379-T381 PolarHBondContact O-N 3.38Å; T381-V383 VanDerWaalsContact C-N 3.32Å; T381-V383 PolarHBondContact O-N 2.98Å; T381-Q384 PolarHBondContact O-N 3.14Å; T381-I385 WeakPolarHBondContact O-CG1 3.36Å; T381-I385 PolarHBondContact O-N 3.47Å
382A57.4Low65.4Low47 Ų4797.2 Ų97.239%0.38849%0.485SS..Hα-helixtrans-61.3-39.1174.700000112.6K378 D379 K386K378-A382 VanDerWaalsContact O-CB 3.31Å; K378-A382 WeakPolarHBondContact O-CB 3.5Å; K378-A382 PolarHBondContact O-N 3.03Å; D379-A382 PolarHBondContact O-N 3.07Å; A382-K386 WeakPolarHBondContact O-CB 3.43Å; A382-K386 PolarHBondContact O-N 2.6Å
383V59.5Low64Low97 Ų97103.6 Ų103.659%0.58851%0.512SS*.Hα-helixtrans-66.2-40.7174.6170.50000111.2D379 T381 S387D379-V383 WeakPolarHBondContact O-CB 3.47Å; D379-V383 WeakPolarHBondContact O-CG2 3.37Å; D379-V383 PolarHBondContact O-N 2.92Å; T381-V383 VanDerWaalsContact C-N 3.32Å; T381-V383 PolarHBondContact O-N 2.98Å; V383-S387 WeakPolarHBondContact O-CB 3.4Å; V383-S387 PolarHBondContact O-N 3.02Å
384Q55.7Low62.6Low117 Ų117107.2 Ų107.255%0.54752%0.521SS..Hα-helixtrans-62.6-47.2176-74.9176.711.500111.8S380 T381 K386 S387 Q388S380-Q384 WeakPolarHBondContact O-CG 3.29Å; S380-Q384 PolarHBondContact O-N 2.74Å; T381-Q384 PolarHBondContact O-N 3.14Å; Q384-K386 PolarHBondContact O-N 3.09Å; Q384-S387 PolarHBondContact O-N 3.42Å; Q384-S387 VanDerWaalsContact O-N 3.15Å; Q384-S387 PolarHBondContact O-OG 3.29Å; Q384-Q388 PolarHBondContact O-N 3.26Å
385I55.4Low61.1Low87 Ų87109.8 Ų109.845%0.44653%0.528SS..Hα-helixtrans-61.2-47.2178.5-65.9165.5000110.9T381 S387 Q388 Q389T381-I385 WeakPolarHBondContact O-CG1 3.36Å; T381-I385 PolarHBondContact O-N 3.47Å; I385-S387 VanDerWaalsContact C-N 3.26Å; I385-S387 PolarHBondContact O-N 2.91Å; I385-Q388 PolarHBondContact O-N 3.16Å; I385-Q388 VanDerWaalsContact O-N 3.15Å; I385-Q389 HydrophobicContact CG2-CG 4.43Å; I385-Q389 WeakPolarHBondContact O-CG 3.12Å; I385-Q389 PolarHBondContact O-N 3.2Å
386K55.7Low59.5Low140 Ų140110.8 Ų110.861%0.60954%0.541SS*.Hα-helixtrans-59-38.9175.7-81.8-177.5177.1176.70112.2A382 Q384 M390A382-K386 WeakPolarHBondContact O-CB 3.43Å; A382-K386 PolarHBondContact O-N 2.6Å; Q384-K386 PolarHBondContact O-N 3.09Å; K386-M390 WeakPolarHBondContact O-CB 3.35Å; K386-M390 WeakPolarHBondContact O-CG 3.31Å; K386-M390 PolarHBondContact O-N 3.12Å
387S54.8Low58.5Low56 Ų56111.8 Ų111.839%0.39255%0.55SS.*Hα-helixtrans-67.9-34.8178.279.90000112.8V383 Q384 I385 K391V383-S387 WeakPolarHBondContact O-CB 3.4Å; V383-S387 PolarHBondContact O-N 3.02Å; Q384-S387 PolarHBondContact O-N 3.42Å; Q384-S387 VanDerWaalsContact O-N 3.15Å; Q384-S387 PolarHBondContact O-OG 3.29Å; I385-S387 VanDerWaalsContact C-N 3.26Å; I385-S387 PolarHBondContact O-N 2.91Å; S387-K391 WeakPolarHBondContact O-CG 3.14Å; S387-K391 PolarHBondContact O-N 3.3Å
388Q49.8Very low57.6Low117 Ų117113.7 Ų113.755%0.54756%0.561SS.*Hα-helixtrans-70-48.8174.7-76.8175.5-27.900111.1Q384 I385 M390 K391 E392Q384-Q388 PolarHBondContact O-N 3.26Å; I385-Q388 PolarHBondContact O-N 3.16Å; I385-Q388 VanDerWaalsContact O-N 3.15Å; Q388-M390 VanDerWaalsContact C-N 3.29Å; Q388-M390 PolarHBondContact O-N 2.93Å; Q388-K391 WeakPolarHBondContact O-CA 3.45Å; Q388-K391 WeakPolarHBondContact O-CB 3.34Å; Q388-K391 PolarHBondContact O-N 2.84Å; Q388-E392 PolarHBondContact O-N 3.24Å
389Q60.3Low56.2Low105 Ų105112.4 Ų112.449%0.49156%0.56SS.*Hα-helixtrans-59.6-37.1177-71.3179.3-10.700112.8I385 E392 K393I385-Q389 HydrophobicContact CG2-CG 4.43Å; I385-Q389 WeakPolarHBondContact O-CG 3.12Å; I385-Q389 PolarHBondContact O-N 3.2Å; Q389-E392 PolarHBondContact O-N 2.96Å; Q389-K393 WeakPolarHBondContact O-CB 3.37Å; Q389-K393 WeakPolarHBondContact O-CG 3.3Å; Q389-K393 PolarHBondContact O-N 3.32Å
390M56.5Low54.9Low127 Ų127115.4 Ų115.463%0.62657%0.571SS**Hα-helixtrans-66.9-35.3173.9-78.8-167.4-168.300112.8K386 Q388 R394K386-M390 WeakPolarHBondContact O-CB 3.35Å; K386-M390 WeakPolarHBondContact O-CG 3.31Å; K386-M390 PolarHBondContact O-N 3.12Å; Q388-M390 VanDerWaalsContact C-N 3.29Å; Q388-M390 PolarHBondContact O-N 2.93Å; M390-R394 WeakPolarHBondContact O-CG 3.49Å; M390-R394 PolarHBondContact O-N 3Å; M390-R394 VanDerWaalsContact O-N 3.11Å
391K57.2Low54Low147 Ų147117.1 Ų117.164%0.63958%0.581SS**Hα-helixtrans-68-42.6174.5-75.7178179.7-177.40111.2S387 Q388 R394 F395S387-K391 WeakPolarHBondContact O-CG 3.14Å; S387-K391 PolarHBondContact O-N 3.3Å; Q388-K391 WeakPolarHBondContact O-CA 3.45Å; Q388-K391 WeakPolarHBondContact O-CB 3.34Å; Q388-K391 PolarHBondContact O-N 2.84Å; K391-R394 PolarHBondContact O-N 3.19Å; K391-F395 PolarHBondContact O-N 3.26Å
392E51.7Low53.2Low119 Ų119119.3 Ų119.356%0.55659%0.594SS**Hα-helixtrans-62.3-46.7176.1-71.6172.4173.400111.6Q388 Q389 R394 F395 L396Q388-E392 PolarHBondContact O-N 3.24Å; Q389-E392 PolarHBondContact O-N 2.96Å; E392-R394 VanDerWaalsContact C-N 3.31Å; E392-R394 PolarHBondContact O-N 3.29Å; E392-F395 WeakPolarHBondContact O-CB 3.45Å; E392-F395 PolarHBondContact O-N 3.4Å; E392-F395 VanDerWaalsContact O-N 3.12Å; E392-L396 PolarHBondContact O-N 3.37Å
393K56.5Low52.7Low150 Ų150127 Ų12765%0.65262%0.615SS**Hα-helixtrans-59.8-37.9175.1-80.3-175.4175.5-175.50113.2Q389 N397Q389-K393 WeakPolarHBondContact O-CB 3.37Å; Q389-K393 WeakPolarHBondContact O-CG 3.3Å; Q389-K393 PolarHBondContact O-N 3.32Å; K393-N397 PolarHBondContact O-N 3.07Å
394R52Low52.2Low189 Ų189135.6 Ų135.671%0.71364%0.638SS**Hα-helixtrans-65.2-44.5173.6-77.9-177.7179.1-173-1.1111.4M390 K391 E392 L396 N397 D398M390-R394 WeakPolarHBondContact O-CG 3.49Å; M390-R394 PolarHBondContact O-N 3Å; M390-R394 VanDerWaalsContact O-N 3.11Å; K391-R394 PolarHBondContact O-N 3.19Å; E392-R394 VanDerWaalsContact C-N 3.31Å; E392-R394 PolarHBondContact O-N 3.29Å; R394-L396 VanDerWaalsContact C-N 3.33Å; R394-L396 PolarHBondContact O-N 3.09Å; R394-N397 PolarHBondContact O-N 3.32Å; R394-D398 PolarHBondContact O-N 2.71Å
395F53.5Low52.1Low152 Ų152136.5 Ų136.567%0.66764%0.643SS**Hα-helixtrans-58.8-43175.3-112.8-84.5000112.5K391 E392 D398 I399K391-F395 PolarHBondContact O-N 3.26Å; E392-F395 WeakPolarHBondContact O-CB 3.45Å; E392-F395 PolarHBondContact O-N 3.4Å; E392-F395 VanDerWaalsContact O-N 3.12Å; F395-D398 PolarHBondContact O-N 3.06Å; F395-I399 WeakPolarHBondContact O-CD1 3.32Å; F395-I399 VanDerWaalsContact O-CG1 3.29Å; F395-I399 WeakPolarHBondContact O-CG1 3.49Å; F395-I399 PolarHBondContact O-N 3.25Å
396L49.8Very low51.9Low124 Ų124139.1 Ų139.165%0.64965%0.653SS**Hα-helixtrans-66.1-37.2176.9-90.9134.7000112.9E392 R394 I399E392-L396 PolarHBondContact O-N 3.37Å; R394-L396 VanDerWaalsContact C-N 3.33Å; R394-L396 PolarHBondContact O-N 3.09Å; L396-I399 PolarHBondContact O-N 2.97Å
397N53.7Low51.7Low113 Ų113139.1 Ų139.160%0.60466%0.656SS**Hα-helixtrans-71-31.3177.2-76.60.4000112.8K393 R394 I399 Q400K393-N397 PolarHBondContact O-N 3.07Å; R394-N397 PolarHBondContact O-N 3.32Å; N397-I399 PolarHBondContact O-N 3.28Å; N397-Q400 WeakPolarHBondContact O-CG 3.38Å; N397-Q400 PolarHBondContact O-N 3.33Å
398D55.8Low51.5Low139 Ų139143.9 Ų143.974%0.74367%0.671SS**Hα-helixtrans-72.5-12.7176.2-69-19.8000112.6R394 F395R394-D398 PolarHBondContact O-N 2.71Å; F395-D398 PolarHBondContact O-N 3.06Å
399I48.1Very low51.6Low120 Ų120145.6 Ų145.662%0.61568%0.679SS**THydrogen-bonded Turntrans-95.610.6178.5-58.9162.5000111.9F395 L396 N397 P401F395-I399 WeakPolarHBondContact O-CD1 3.32Å; F395-I399 VanDerWaalsContact O-CG1 3.29Å; F395-I399 WeakPolarHBondContact O-CG1 3.49Å; F395-I399 PolarHBondContact O-N 3.25Å; L396-I399 PolarHBondContact O-N 2.97Å; N397-I399 PolarHBondContact O-N 3.28Å; I399-P401 VanDerWaalsContact O-CD 3.26Å; I399-P401 WeakPolarHBondContact O-CD 3.32Å
400Q42.4Very low51Low157 Ų157148.3 Ų148.373%0.73469%0.692SS**  trans-55.7114.5172.4-77.8-107.1-41.100109.7N397 T402N397-Q400 WeakPolarHBondContact O-CG 3.38Å; N397-Q400 PolarHBondContact O-N 3.33Å; Q400-T402 PolarHBondContact O-N 2.8Å
401P46.9Very low50.6Low86 Ų86149.9 Ų149.956%0.55870%0.697SS**  trans-67.7125.5-173.66.60.6000108.3I399 Y403I399-P401 VanDerWaalsContact O-CD 3.26Å; I399-P401 WeakPolarHBondContact O-CD 3.32Å; P401-Y403 VanDerWaalsContact C-N 3.31Å; P401-Y403 HydrophobicContact CG-CE2 4.22Å; P401-Y403 WeakPolarHBondContact O-CD2 2.82Å; P401-Y403 PolarHBondContact O-N 3.15Å
402T44.9Very low50.1Low117 Ų117150.1 Ų150.172%0.71870%0.701SS**  trans-61.598.7163.932.90000107.2Q400 Y404Q400-T402 PolarHBondContact O-N 2.8Å; T402-Y404 VanDerWaalsContact C-N 3.33Å; T402-Y404 PolarHBondContact O-N 3.04Å
403Y45.6Very low50Low207 Ų207152.7 Ų152.781%0.81271%0.713SS**  trans-67.397.7166.7-75.4-86.8000106.9P401P401-Y403 VanDerWaalsContact C-N 3.31Å; P401-Y403 HydrophobicContact CG-CE2 4.22Å; P401-Y403 WeakPolarHBondContact O-CD2 2.82Å; P401-Y403 PolarHBondContact O-N 3.15Å
404Y50.6Low49.4Very low278 Ų278152.9 Ų152.9100%1.0972%0.719SS**  trans-63.60151.4-70.3-85.6000108.8T402T402-Y404 VanDerWaalsContact C-N 3.33Å; T402-Y404 PolarHBondContact O-N 3.04Å

Retrieved 404 of 404 residues in 842.6 ms (Link to these results)

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