A0A060XBV0_ONCMY Loading...

Syntaxin-binding protein 3

AlphaFold DB , UniProt , Accession A0A060XBV0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 598 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
1M27.8Very low57.3Low237 Ų23788.4 Ų88.4100%1.16749%0.49SS*.  061.10-68.1-178.6-171.700109.7
2A24.2Very low60.2Low84 Ų8483.3 Ų83.369%0.69446%0.463SS*.  trans-118.3143.6171.800000107.1
3T27.7Very low62.8Low99 Ų9976.8 Ų76.861%0.60743%0.427SS*.SBendtrans80.331.7167.576.80000121.2
4V38.5Very low64.9Low119 Ų11974 Ų7472%0.72141%0.407SS*.SBendtrans-86.8-19.1158.2-176.50000111.6E6V4-E6 PolarHBondContact O-N 2.96Å
5S39.9Very low66.7Low94 Ų9474.1 Ų74.166%0.65740%0.403SS*.THydrogen-bonded Turntrans-83.1-8.3-172.866.60000115.9R11S5-R11 PolarHBondContact O-NH1 3.2Å
6E48.2Very low68.1Low103 Ų10373.6 Ų73.648%0.48139%0.394SS..THydrogen-bonded Turntrans-100.2-16.2-177.9-61.2-150.8125.500115.2V4 R11V4-E6 PolarHBondContact O-N 2.96Å; E6-R11 IonicContact OE1-NH1 3.11Å; E6-R11 IonicContact OE1-NH2 3.01Å
7H64.1Low69.5Low100 Ų10069.5 Ų69.546%0.46337%0.372SS..THydrogen-bonded Turntrans-122.30.7-168.7-61.1-62.2000115.7
8G86.1Confident70.6Confident10 Ų1069.3 Ų69.310%0.10337%0.367CS..  trans-63.7145.5-178.100000113.8K10 R11 V12G8-K10 VanDerWaalsContact C-N 3.28Å; G8-K10 PolarHBondContact O-N 3.14Å; G8-R11 WeakPolarHBondContact O-CA 3.43Å; G8-R11 WeakPolarHBondContact O-CB 3.25Å; G8-R11 PolarHBondContact O-N 2.84Å; G8-V12 PolarHBondContact O-N 3.43Å; G8-V12 VanDerWaalsContact O-N 3.11Å
9L91.8Very high71.5Confident2 Ų271.8 Ų71.81%0.0138%0.376CS..Hα-helixtrans-54.1-38.9-175.2-169.366.3000113.8R11 V12 V13 F137 P139 S142 F145 L179 L183L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 3.48Å; L9-V12 PolarHBondContact O-N 3.16Å; L9-V13 WeakPolarHBondContact O-CG2 3.04Å; L9-V13 PolarHBondContact O-N 3.01Å; L9-F137 HydrophobicContact CD1-CE2 4.02Å; L9-F137 HydrophobicContact CD1-CZ 4.16Å; L9-F137 HydrophobicContact CD2-CD2 4.41Å; L9-F137 HydrophobicContact CD2-CE2 3.77Å; L9-F137 HydrophobicContact CG-CE2 3.97Å; L9-P139 HydrophobicContact CB-CB 4.27Å; L9-P139 HydrophobicContact CD2-CB 3.92Å; L9-P139 HydrophobicContact CG-CB 3.83Å; L9-S142 WeakPolarHBondContact CB-O 3.38Å; L9-S142 PolarHBondContact N-O 2.93Å; L9-F145 HydrophobicContact CD2-CB 3.66Å; L9-L179 HydrophobicContact CD1-CD1 3.8Å; L9-L179 HydrophobicContact CD2-CD1 4.28Å; L9-L183 HydrophobicContact CD1-CD2 3.83Å; L9-L183 HydrophobicContact CD1-CG 4.46Å
10K92.3Very high72.2Confident32 Ų3270.1 Ų70.114%0.13937%0.369CS..Hα-helixtrans-56.6-43.2173.8-71.5-175.2176.1-173.30112.6G8 W14 S46 C47 P139 Q140 E286G8-K10 VanDerWaalsContact C-N 3.28Å; G8-K10 PolarHBondContact O-N 3.14Å; K10-W14 WeakPolarHBondContact O-CB 3.34Å; K10-W14 PolarHBondContact O-N 2.64Å; K10-S46 WeakPolarHBondContact CD-O 3.46Å; K10-S46 WeakPolarHBondContact CE-O 3.16Å; K10-S46 WeakPolarHBondContact CE-OG 3.48Å; K10-C47 HydrophobicContact CB-CB 4.38Å; K10-C47 WeakPolarHBondContact O-CB 3.29Å; K10-P139 WeakPolarHBondContact CE-O 3.49Å; K10-P139 HydrophobicContact CG-CB 3.9Å; K10-P139 HydrophobicContact CG-CG 4.16Å; K10-Q140 WeakPolarHBondContact CE-O 3.29Å; K10-Q140 PolarHBondContact NZ-O 3.31Å; K10-E286 WeakPolarHBondContact CD-OE2 3.4Å
11R90.3Very high72.9Confident92 Ų9266.9 Ų66.935%0.34735%0.352SS..Hα-helixtrans-70.2-41.2179.2-177.9174171.9166.2-7.6111.2S5 E6 G8 L9 W14 Q15S5-R11 PolarHBondContact O-NH1 3.2Å; E6-R11 IonicContact OE1-NH1 3.11Å; E6-R11 IonicContact OE1-NH2 3.01Å; G8-R11 WeakPolarHBondContact O-CA 3.43Å; G8-R11 WeakPolarHBondContact O-CB 3.25Å; G8-R11 PolarHBondContact O-N 2.84Å; L9-R11 VanDerWaalsContact C-N 3.3Å; L9-R11 PolarHBondContact O-N 3.48Å; R11-W14 PolarHBondContact O-N 3.1Å; R11-Q15 HydrophobicContact CG-CG 4.32Å; R11-Q15 WeakPolarHBondContact O-CB 3.41Å; R11-Q15 VanDerWaalsContact O-CG 3.31Å; R11-Q15 WeakPolarHBondContact O-CG 3.41Å; R11-Q15 PolarHBondContact O-N 3.47Å
12V91.9Very high75.5Confident27 Ų2755.9 Ų55.916%0.16430%0.298CS..Hα-helixtrans-59.4-47.7176.2177.50000110.7G8 L9 Q15 R16 T182G8-V12 PolarHBondContact O-N 3.43Å; G8-V12 VanDerWaalsContact O-N 3.11Å; L9-V12 PolarHBondContact O-N 3.16Å; V12-Q15 PolarHBondContact O-N 2.79Å; V12-R16 PolarHBondContact O-N 3.09Å; V12-T182 HydrophobicContact CG1-CG2 3.99Å
13V93.6Very high78.3Confident0 Ų056.1 Ų56.10%029%0.285CS..Hα-helixtrans-61.3-47.7176.4170.30000111L9 Q15 R16 I17 L43 C47 I135 F137 P139 T182L9-V13 WeakPolarHBondContact O-CG2 3.04Å; L9-V13 PolarHBondContact O-N 3.01Å; V13-Q15 PolarHBondContact O-N 2.98Å; V13-R16 PolarHBondContact O-N 2.9Å; V13-I17 HydrophobicContact CG1-CD1 3.8Å; V13-I17 HydrophobicContact CG1-CG1 4.5Å; V13-I17 WeakPolarHBondContact O-CG1 3.28Å; V13-I17 PolarHBondContact O-N 3.28Å; V13-L43 HydrophobicContact CG1-CD1 3.86Å; V13-C47 HydrophobicContact CG1-CB 4.42Å; V13-I135 HydrophobicContact CG1-CD1 4.47Å; V13-I135 HydrophobicContact CG1-CG2 4.3Å; V13-F137 HydrophobicContact CG2-CE2 3.87Å; V13-F137 HydrophobicContact CG2-CZ 3.64Å; V13-P139 HydrophobicContact CB-CG 4.22Å; V13-P139 HydrophobicContact CG1-CG 4.32Å; V13-P139 HydrophobicContact CG2-CB 4.26Å; V13-P139 HydrophobicContact CG2-CG 4.04Å; V13-T182 HydrophobicContact CG2-CG2 4.17Å
14W92.8Very high80.6Confident37 Ų3754.2 Ų54.214%0.1427%0.271CS..Hα-helixtrans-61.5-42.9178.9175.8-123.6000112.8K10 R11 I17 K18 I22 L44 C47 C48 D52 L53 E56K10-W14 WeakPolarHBondContact O-CB 3.34Å; K10-W14 PolarHBondContact O-N 2.64Å; R11-W14 PolarHBondContact O-N 3.1Å; W14-I17 HydrophobicContact CE3-CB 4.48Å; W14-I17 HydrophobicContact CE3-CG2 4.32Å; W14-I17 HydrophobicContact CZ3-CG2 4.22Å; W14-I17 PolarHBondContact O-N 3.11Å; W14-K18 VanDerWaalsContact O-CB 3.31Å; W14-K18 WeakPolarHBondContact O-CB 3.31Å; W14-K18 PolarHBondContact O-N 2.66Å; W14-I22 HydrophobicContact CH2-CD1 3.82Å; W14-I22 HydrophobicContact CZ2-CD1 4.38Å; W14-I22 HydrophobicContact CZ3-CD1 4.4Å; W14-L44 HydrophobicContact CZ3-CD2 4.13Å; W14-C47 HydrophobicContact CB-CB 4.12Å; W14-C48 HydrophobicContact CD2-CB 3.8Å; W14-C48 HydrophobicContact CE3-CB 3.47Å; W14-C48 VanDerWaalsContact CE3-CB 3.47Å; W14-C48 HydrophobicContact CH2-CB 3.82Å; W14-C48 HydrophobicContact CZ2-CB 4.11Å; W14-C48 HydrophobicContact CZ3-CB 3.49Å; W14-C48 VanDerWaalsContact CZ3-CB 3.49Å; W14-D52 HydrophobicContact CZ2-CB 4.18Å; W14-L53 HydrophobicContact CH2-CD2 3.75Å; W14-L53 HydrophobicContact CZ3-CD2 3.96Å; W14-E56 HydrophobicContact CZ2-CG 4.48Å
15Q90.8Very high82.2Confident76 Ų7648.7 Ų48.736%0.35524%0.237SC..Hα-helixtrans-60.6-46.5176.8-77.9177.9-39.700111.1R11 V12 V13 I17 K18 E19R11-Q15 HydrophobicContact CG-CG 4.32Å; R11-Q15 WeakPolarHBondContact O-CB 3.41Å; R11-Q15 VanDerWaalsContact O-CG 3.31Å; R11-Q15 WeakPolarHBondContact O-CG 3.41Å; R11-Q15 PolarHBondContact O-N 3.47Å; V12-Q15 PolarHBondContact O-N 2.79Å; V13-Q15 PolarHBondContact O-N 2.98Å; Q15-I17 PolarHBondContact O-N 2.87Å; Q15-K18 PolarHBondContact O-N 3.17Å; Q15-K18 VanDerWaalsContact O-N 3.16Å; Q15-E19 WeakPolarHBondContact O-CB 3.44Å; Q15-E19 WeakPolarHBondContact O-CG 3.43Å; Q15-E19 PolarHBondContact O-N 3.17Å
16R90.2Very high83.6Confident66 Ų6649.4 Ų49.425%0.24923%0.229CC..Hα-helixtrans-62.9-41178.1-170.1168.4178.3130.3-8.6112.7V12 V13 T20 L133 I135 A181V12-R16 PolarHBondContact O-N 3.09Å; V13-R16 PolarHBondContact O-N 2.9Å; R16-T20 VanDerWaalsContact O-CB 3.29Å; R16-T20 WeakPolarHBondContact O-CB 3.38Å; R16-T20 PolarHBondContact O-N 3.48Å; R16-T20 PolarHBondContact O-OG1 3.38Å; R16-L133 PolarHBondContact NE-O 3.4Å; R16-L133 PolarHBondContact NH2-O 3.34Å; R16-I135 HydrophobicContact CB-CD1 4.3Å; R16-I135 HydrophobicContact CG-CD1 4.13Å; R16-A181 PolarHBondContact NH1-O 3.14Å
17I91.7Very high84.3Confident4 Ų454.3 Ų54.32%0.02125%0.248CC..Hα-helixtrans-62.2-45173.6-71.3171.7000110.5V13 W14 Q15 I21 L43 L44 F79 L133 I135V13-I17 HydrophobicContact CG1-CD1 3.8Å; V13-I17 HydrophobicContact CG1-CG1 4.5Å; V13-I17 WeakPolarHBondContact O-CG1 3.28Å; V13-I17 PolarHBondContact O-N 3.28Å; W14-I17 HydrophobicContact CE3-CB 4.48Å; W14-I17 HydrophobicContact CE3-CG2 4.32Å; W14-I17 HydrophobicContact CZ3-CG2 4.22Å; W14-I17 PolarHBondContact O-N 3.11Å; Q15-I17 PolarHBondContact O-N 2.87Å; I17-I21 HydrophobicContact CG2-CD1 4.2Å; I17-I21 VanDerWaalsContact O-CB 3.3Å; I17-I21 WeakPolarHBondContact O-CB 3.18Å; I17-I21 PolarHBondContact O-N 3.03Å; I17-L43 HydrophobicContact CD1-CG 4.48Å; I17-L44 HydrophobicContact CD1-CD2 3.95Å; I17-L44 HydrophobicContact CG2-CD2 4.05Å; I17-F79 HydrophobicContact CD1-CE1 4.23Å; I17-F79 HydrophobicContact CD1-CZ 4.49Å; I17-L133 HydrophobicContact CG1-CD2 4.04Å; I17-I135 HydrophobicContact CG1-CD1 4.09Å
18K89.4Confident84.1Confident65 Ų6550.3 Ų50.328%0.28323%0.232SC..Iπ-helixtrans-63.3-52.5179.6178.6169.5171.9167.40111.4W14 Q15 T20 I22 E23 E56W14-K18 VanDerWaalsContact O-CB 3.31Å; W14-K18 WeakPolarHBondContact O-CB 3.31Å; W14-K18 PolarHBondContact O-N 2.66Å; Q15-K18 PolarHBondContact O-N 3.17Å; Q15-K18 VanDerWaalsContact O-N 3.16Å; K18-T20 VanDerWaalsContact C-N 3.3Å; K18-T20 PolarHBondContact O-N 2.99Å; K18-I22 HydrophobicContact CB-CD1 4.22Å; K18-I22 HydrophobicContact CG-CB 4.35Å; K18-I22 HydrophobicContact CG-CD1 4.21Å; K18-I22 WeakPolarHBondContact O-CA 3.38Å; K18-I22 VanDerWaalsContact O-CB 3.26Å; K18-I22 WeakPolarHBondContact O-CB 3.31Å; K18-I22 PolarHBondContact O-N 2.87Å; K18-E23 WeakPolarHBondContact O-CG 3.04Å; K18-E23 PolarHBondContact O-N 3.16Å; K18-E56 WeakPolarHBondContact CE-OE1 3.43Å; K18-E56 WeakPolarHBondContact CE-OE2 3.45Å; K18-E56 IonicContact NZ-OE1 3.04Å; K18-E56 PolarHBondContact NZ-OE1 2.98Å; K18-E56 IonicContact NZ-OE2 3.57Å
19E87.8Confident82.7Confident117 Ų11759.3 Ų59.355%0.54727%0.271SS..Iπ-helixtrans-60.5-37.9179.6-72.1169.7-171.100112.3Q15 E23Q15-E19 WeakPolarHBondContact O-CB 3.44Å; Q15-E19 WeakPolarHBondContact O-CG 3.43Å; Q15-E19 PolarHBondContact O-N 3.17Å; E19-E23 WeakPolarHBondContact O-CB 3.26Å
20T86.1Confident81.3Confident37 Ų3762.5 Ų62.523%0.22729%0.288CS..Iπ-helixtrans-85.6-56.9-178-48.30000112R16 K18 D24 L133R16-T20 VanDerWaalsContact O-CB 3.29Å; R16-T20 WeakPolarHBondContact O-CB 3.38Å; R16-T20 PolarHBondContact O-N 3.48Å; R16-T20 PolarHBondContact O-OG1 3.38Å; K18-T20 VanDerWaalsContact C-N 3.3Å; K18-T20 PolarHBondContact O-N 2.99Å; T20-D24 WeakPolarHBondContact O-CB 3.48Å; T20-L133 HydrophobicContact CG2-CD1 4.04Å; T20-L133 HydrophobicContact CG2-CG 4.05Å
21I86.7Confident80.1Confident4 Ų468.4 Ų68.42%0.02131%0.309CS..Iπ-helixtrans-80.9-49.7-171.1-58.5-170.5000110.7I17 C25 I77 F79 Y106 L133I17-I21 HydrophobicContact CG2-CD1 4.2Å; I17-I21 VanDerWaalsContact O-CB 3.3Å; I17-I21 WeakPolarHBondContact O-CB 3.18Å; I17-I21 PolarHBondContact O-N 3.03Å; I21-C25 WeakPolarHBondContact O-CB 3.46Å; I21-C25 PolarHBondContact O-N 3.04Å; I21-C25 PolarHBondContact O-SG 3.46Å; I21-I77 HydrophobicContact CG2-CD1 4.39Å; I21-I77 HydrophobicContact CG2-CG2 3.69Å; I21-F79 HydrophobicContact CD1-CB 4.2Å; I21-F79 HydrophobicContact CD1-CD1 4.2Å; I21-F79 HydrophobicContact CD1-CD2 3.83Å; I21-F79 HydrophobicContact CD1-CE2 4.22Å; I21-F79 HydrophobicContact CD1-CG 3.83Å; I21-Y106 HydrophobicContact CB-CD2 4.46Å; I21-Y106 HydrophobicContact CB-CE1 4.49Å; I21-Y106 HydrophobicContact CB-CE2 4.35Å; I21-Y106 HydrophobicContact CD1-CD1 4.45Å; I21-Y106 HydrophobicContact CD1-CD2 4.28Å; I21-Y106 HydrophobicContact CD1-CG 3.97Å; I21-Y106 HydrophobicContact CG1-CD1 3.82Å; I21-Y106 HydrophobicContact CG1-CD2 4.13Å; I21-Y106 HydrophobicContact CG1-CE1 4.16Å; I21-Y106 HydrophobicContact CG1-CE2 4.44Å; I21-Y106 HydrophobicContact CG1-CG 3.8Å; I21-Y106 HydrophobicContact CG2-CD2 3.89Å; I21-Y106 HydrophobicContact CG2-CE2 3.74Å; I21-Y106 HydrophobicContact CG2-CG 4.44Å; I21-L133 HydrophobicContact CD1-CD1 4.18Å; I21-L133 HydrophobicContact CD1-CD2 3.8Å; I21-L133 HydrophobicContact CG1-CD1 4.07Å; I21-L133 HydrophobicContact CG1-CD2 3.9Å
22I82.7Confident79.7Confident5 Ų564.8 Ų64.83%0.02630%0.296CS..Iπ-helixtrans-77-44.6-168.3-57.1-178.7000109.8W14 K18 C25 K26 E56W14-I22 HydrophobicContact CH2-CD1 3.82Å; W14-I22 HydrophobicContact CZ2-CD1 4.38Å; W14-I22 HydrophobicContact CZ3-CD1 4.4Å; K18-I22 HydrophobicContact CB-CD1 4.22Å; K18-I22 HydrophobicContact CG-CB 4.35Å; K18-I22 HydrophobicContact CG-CD1 4.21Å; K18-I22 WeakPolarHBondContact O-CA 3.38Å; K18-I22 VanDerWaalsContact O-CB 3.26Å; K18-I22 WeakPolarHBondContact O-CB 3.31Å; K18-I22 PolarHBondContact O-N 2.87Å; I22-C25 CarbonylContact O-C 3.57Å; I22-C25 WeakPolarHBondContact O-CA 3.3Å; I22-C25 PolarHBondContact O-N 3.48Å; I22-C25 VanDerWaalsContact O-N 3.11Å; I22-K26 PolarHBondContact O-N 3.11Å; I22-E56 HydrophobicContact CD1-CB 3.79Å; I22-E56 HydrophobicContact CD1-CG 3.81Å; I22-E56 HydrophobicContact CG2-CB 3.76Å; I22-E56 HydrophobicContact CG2-CG 4.25Å; I22-E56 WeakPolarHBondContact CG2-OE2 3.07Å
23E81.1Confident79.6Confident89 Ų8963.5 Ų63.542%0.41629%0.288SS..Hα-helixtrans-69.3-39.8-178.7-55.3-156.1136.700113.7K18 E19 C25 K26K18-E23 WeakPolarHBondContact O-CG 3.04Å; K18-E23 PolarHBondContact O-N 3.16Å; E19-E23 WeakPolarHBondContact O-CB 3.26Å; E23-C25 PolarHBondContact O-N 3.44Å; E23-C25 VanDerWaalsContact O-N 3.09Å; E23-K26 HydrophobicContact CB-CD 4.33Å; E23-K26 HydrophobicContact CG-CD 4.16Å; E23-K26 WeakPolarHBondContact O-CB 3.39Å; E23-K26 PolarHBondContact O-N 2.83Å; E23-K26 IonicContact OE1-NZ 3.47Å; E23-K26 PolarHBondContact OE1-NZ 2.75Å
24D77Confident79.6Confident59 Ų5963.7 Ų63.732%0.31629%0.289SS..Hα-helixtrans-53.7-32.1170.5-84.6-14.8000111.6T20 Y106 K131T20-D24 WeakPolarHBondContact O-CB 3.48Å; D24-Y106 WeakPolarHBondContact CB-OH 3.41Å; D24-K131 IonicContact OD1-NZ 3.18Å; D24-K131 PolarHBondContact OD1-NZ 3.01Å; D24-K131 VanDerWaalsContact OD2-CD 3.25Å; D24-K131 WeakPolarHBondContact OD2-CD 2.96Å; D24-K131 WeakPolarHBondContact OD2-CE 3.41Å; D24-K131 IonicContact OD2-NZ 2.64Å; D24-K131 PolarHBondContact OD2-NZ 2.83Å
25C72.2Confident79.7Confident3 Ų362 Ų622%0.0228%0.283CS..Hα-helixtrans-93.2-10.3-178.4-61.20000113.5I21 I22 E23 K27 S28 K32 I77 Y106I21-C25 WeakPolarHBondContact O-CB 3.46Å; I21-C25 PolarHBondContact O-N 3.04Å; I21-C25 PolarHBondContact O-SG 3.46Å; I22-C25 CarbonylContact O-C 3.57Å; I22-C25 WeakPolarHBondContact O-CA 3.3Å; I22-C25 PolarHBondContact O-N 3.48Å; I22-C25 VanDerWaalsContact O-N 3.11Å; E23-C25 PolarHBondContact O-N 3.44Å; E23-C25 VanDerWaalsContact O-N 3.09Å; C25-K27 PolarHBondContact O-N 2.98Å; C25-K27 VanDerWaalsContact O-N 3.17Å; C25-S28 PolarHBondContact O-N 3.44Å; C25-K32 VanDerWaalsContact C-NZ 3.26Å; C25-K32 HydrophobicContact CB-CD 3.82Å; C25-K32 WeakPolarHBondContact O-CE 3.29Å; C25-K32 PolarHBondContact O-NZ 3.29Å; C25-I77 HydrophobicContact CB-CD1 4.31Å; C25-Y106 PolarHBondContact SG-OH 3.18Å
26K69.3Low80Confident109 Ų10958.6 Ų58.647%0.47427%0.267SS..THydrogen-bonded Turntrans-59.5-28.2-175-86.6177.7-176170.70113.6I22 E23 S28I22-K26 PolarHBondContact O-N 3.11Å; E23-K26 HydrophobicContact CB-CD 4.33Å; E23-K26 HydrophobicContact CG-CD 4.16Å; E23-K26 WeakPolarHBondContact O-CB 3.39Å; E23-K26 PolarHBondContact O-N 2.83Å; E23-K26 IonicContact OE1-NZ 3.47Å; E23-K26 PolarHBondContact OE1-NZ 2.75Å; K26-S28 PolarHBondContact O-N 3.07Å; K26-S28 VanDerWaalsContact O-N 3.1Å
27K62.9Low80.3Confident206 Ų20655.6 Ų55.690%0.89626%0.256SS*.THydrogen-bonded Turntrans-68.7-4.4179.1-64.8-176.3-178.81770114.7C25C25-K27 PolarHBondContact O-N 2.98Å; C25-K27 VanDerWaalsContact O-N 3.17Å
28S59.1Low80.4Confident17 Ų1761.1 Ų61.112%0.11928%0.281CS..  trans-101.9108.4177.3-167.30000109.2C25 K26 I30 K75C25-S28 PolarHBondContact O-N 3.44Å; K26-S28 PolarHBondContact O-N 3.07Å; K26-S28 VanDerWaalsContact O-N 3.1Å; S28-I30 PolarHBondContact O-N 3.32Å; S28-K75 PolarHBondContact OG-NZ 3.17Å
29E57Low80.6Confident199 Ų19959.2 Ų59.293%0.9327%0.273SS*.  trans-64.913.5177-64.5-175.9156.800114.7
30I63Low81Confident69 Ų6953.7 Ų53.735%0.35425%0.247SC..SBendtrans-114.2134-172.8-51.5173.3000108.3S28 K32S28-I30 PolarHBondContact O-N 3.32Å; I30-K32 VanDerWaalsContact O-CG 3.3Å; I30-K32 WeakPolarHBondContact O-CG 3.4Å
31W66.2Low81.4Confident155 Ų15554.8 Ų54.859%0.58725%0.254SS*.  trans-46.3139.2167.9-60.9108.2000111.9T59 M74W31-T59 HydrophobicContact CB-CG2 3.68Å; W31-T59 HydrophobicContact CD2-CG2 3.47Å; W31-T59 VanDerWaalsContact CD2-CG2 3.47Å; W31-T59 HydrophobicContact CE3-CG2 3.17Å; W31-T59 HydrophobicContact CG-CG2 3.74Å; W31-T59 HydrophobicContact CZ3-CG2 3.87Å; W31-M74 HydrophobicContact CB-CE 4.38Å
32K81.4Confident81.7Confident16 Ų1657.8 Ų57.87%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-119.2140.2-171.6-52.2-177.8-166.2120.80111.1C25 I30 G57 T59 I77C25-K32 VanDerWaalsContact C-NZ 3.26Å; C25-K32 HydrophobicContact CB-CD 3.82Å; C25-K32 WeakPolarHBondContact O-CE 3.29Å; C25-K32 PolarHBondContact O-NZ 3.29Å; I30-K32 VanDerWaalsContact O-CG 3.3Å; I30-K32 WeakPolarHBondContact O-CG 3.4Å; K32-G57 PolarHBondContact N-O 2.74Å; K32-T59 PolarHBondContact O-N 3.17Å; K32-T59 VanDerWaalsContact O-N 3.16Å; K32-T59 PolarHBondContact O-OG1 3.35Å; K32-I77 HydrophobicContact CB-CD1 4.09Å; K32-I77 HydrophobicContact CB-CG1 4.48Å; K32-I77 HydrophobicContact CD-CD1 3.71Å; K32-I77 HydrophobicContact CD-CG1 4.38Å
33I90.3Very high82.3Confident1 Ų157.6 Ų57.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-92.4128.7172.5-56.9171.7000107.4I35 E62 V71 M74 K75 A76 I77 Y100I33-I35 HydrophobicContact CG2-CG1 4.18Å; I33-E62 HydrophobicContact CG2-CG 4.19Å; I33-V71 HydrophobicContact CD1-CB 3.9Å; I33-V71 HydrophobicContact CD1-CG1 4.26Å; I33-V71 HydrophobicContact CD1-CG2 4.02Å; I33-M74 HydrophobicContact CD1-CB 3.97Å; I33-M74 HydrophobicContact CD1-SD 3.92Å; I33-M74 HydrophobicContact CG1-CB 4.34Å; I33-M74 HydrophobicContact CG1-SD 3.88Å; I33-K75 PolarHBondContact N-O 2.96Å; I33-A76 WeakPolarHBondContact O-CA 3.44Å; I33-I77 PolarHBondContact O-N 2.95Å; I33-Y100 HydrophobicContact CD1-CD1 3.95Å; I33-Y100 HydrophobicContact CD1-CE1 3.68Å; I33-Y100 HydrophobicContact CG2-CE1 4.48Å
34L93.8Very high82.9Confident4 Ų453.7 Ų53.72%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-102.4123.2175.5-179.965.6000109.3L36 L44 L53 I58 I60 V61 E62 I77 F79L34-L36 HydrophobicContact CD1-CD2 3.89Å; L34-L36 HydrophobicContact CD2-CD1 4.16Å; L34-L36 HydrophobicContact CD2-CD2 4Å; L34-L36 HydrophobicContact CD2-CG 4.25Å; L34-L36 HydrophobicContact CG-CD1 4.44Å; L34-L36 HydrophobicContact CG-CD2 3.73Å; L34-L36 HydrophobicContact CG-CG 4.01Å; L34-L44 HydrophobicContact CD2-CD1 3.76Å; L34-L53 HydrophobicContact CD2-CD2 4.37Å; L34-I58 HydrophobicContact CB-CD1 4.46Å; L34-I58 HydrophobicContact CB-CG2 3.59Å; L34-I58 HydrophobicContact CD2-CD1 4.04Å; L34-I58 HydrophobicContact CD2-CG2 4.38Å; L34-I60 PolarHBondContact N-O 3.46Å; L34-V61 HydrophobicContact CB-CG2 4.37Å; L34-V61 HydrophobicContact CD2-CG1 4.5Å; L34-V61 HydrophobicContact CD2-CG2 4.22Å; L34-V61 CarbonylContact O-C 3.51Å; L34-V61 VanDerWaalsContact O-CA 3.27Å; L34-V61 WeakPolarHBondContact O-CA 3.31Å; L34-E62 PolarHBondContact O-N 2.93Å; L34-I77 CarbonylContact C-O 3.24Å; L34-I77 HydrophobicContact CD1-CB 3.96Å; L34-I77 HydrophobicContact CD1-CG2 3.62Å; L34-F79 HydrophobicContact CD1-CB 4.41Å
35I95.9Very high83.6Confident1 Ų155 Ų551%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-114.2125-179.2-59.4159.6000107.9I33 E62 L64 A76 I77 Y78 F79 Y100I33-I35 HydrophobicContact CG2-CG1 4.18Å; I35-E62 WeakPolarHBondContact CA-O 3.42Å; I35-L64 HydrophobicContact CG2-CB 3.87Å; I35-L64 HydrophobicContact CG2-CD1 3.8Å; I35-L64 HydrophobicContact CG2-CG 4.44Å; I35-A76 HydrophobicContact CD1-CB 3.71Å; I35-I77 PolarHBondContact N-O 3.27Å; I35-Y78 HydrophobicContact CB-CD1 3.89Å; I35-Y78 HydrophobicContact CB-CE1 4.07Å; I35-Y78 HydrophobicContact CB-CG 4.42Å; I35-Y78 HydrophobicContact CD1-CD1 3.97Å; I35-Y78 HydrophobicContact CD1-CD2 4.26Å; I35-Y78 HydrophobicContact CD1-CE1 3.42Å; I35-Y78 VanDerWaalsContact CD1-CE1 3.42Å; I35-Y78 HydrophobicContact CD1-CE2 3.74Å; I35-Y78 HydrophobicContact CD1-CG 4.38Å; I35-Y78 HydrophobicContact CG1-CE1 4.36Å; I35-Y78 HydrophobicContact CG2-CD1 3.82Å; I35-Y78 HydrophobicContact CG2-CE1 3.84Å; I35-F79 PolarHBondContact O-N 2.83Å; I35-Y100 HydrophobicContact CD1-CD2 4.26Å; I35-Y100 HydrophobicContact CD1-CE2 3.49Å; I35-Y100 VanDerWaalsContact CD1-CE2 3.49Å
36L96.6Very high84.4Confident5 Ų556 Ų563%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-123.5147-172.8-56.5178.9000111L34 T41 L44 V61 E62 L64 F79L34-L36 HydrophobicContact CD1-CD2 3.89Å; L34-L36 HydrophobicContact CD2-CD1 4.16Å; L34-L36 HydrophobicContact CD2-CD2 4Å; L34-L36 HydrophobicContact CD2-CG 4.25Å; L34-L36 HydrophobicContact CG-CD1 4.44Å; L34-L36 HydrophobicContact CG-CD2 3.73Å; L34-L36 HydrophobicContact CG-CG 4.01Å; L36-T41 WeakPolarHBondContact CB-OG1 3.39Å; L36-L44 HydrophobicContact CD1-CD1 3.5Å; L36-L44 HydrophobicContact CD2-CD1 3.49Å; L36-L44 VanDerWaalsContact CD2-CD1 3.49Å; L36-L44 HydrophobicContact CG-CD1 4.14Å; L36-V61 HydrophobicContact CD1-CG1 3.5Å; L36-V61 HydrophobicContact CG-CG1 4.05Å; L36-E62 PolarHBondContact N-O 2.67Å; L36-L64 WeakPolarHBondContact O-CB 3.24Å; L36-L64 PolarHBondContact O-N 3.45Å; L36-F79 HydrophobicContact CD2-CB 3.77Å; L36-F79 HydrophobicContact CD2-CD1 4.02Å; L36-F79 HydrophobicContact CD2-CG 4.36Å
37D95.9Very high85.4Confident2 Ų251.7 Ų51.71%0.01125%0.252CS..  trans-87.4-179.5162.376.5-7.5000111.1F39 T40 T41 L64 Y65 T81 C86D37-F39 PolarHBondContact O-N 3.13Å; D37-F39 PolarHBondContact OD1-N 3.42Å; D37-T40 PolarHBondContact N-OG1 3Å; D37-T40 PolarHBondContact O-OG1 3.35Å; D37-T40 VanDerWaalsContact OD1-CB 3.25Å; D37-T40 WeakPolarHBondContact OD1-CB 3.23Å; D37-T40 VanDerWaalsContact OD1-CG2 3.29Å; D37-T40 WeakPolarHBondContact OD1-CG2 3.47Å; D37-T40 PolarHBondContact OD1-N 3.32Å; D37-T40 PolarHBondContact OD1-OG1 2.71Å; D37-T41 VanDerWaalsContact O-CB 3.24Å; D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 3.05Å; D37-T41 PolarHBondContact O-OG1 3.48Å; D37-L64 HydrophobicContact CB-CD2 4.3Å; D37-Y65 HydrophobicContact CB-CE2 4.14Å; D37-T81 VanDerWaalsContact OD2-CB 3.22Å; D37-T81 WeakPolarHBondContact OD2-CB 3.39Å; D37-T81 WeakPolarHBondContact OD2-CG2 3.47Å; D37-T81 PolarHBondContact OD2-N 3.38Å; D37-T81 PolarHBondContact OD2-OG1 2.86Å; D37-C86 PolarHBondContact OD2-SG 3.29Å; D37-C86 VanDerWaalsContact OD2-SG 3.39Å
38H93.8Very high86.6Confident120 Ų12042.6 Ų42.656%0.55621%0.214SC*.Hα-helixtrans-61.9-42-177.4-177.7-105.8000113K42H38-K42 WeakPolarHBondContact CE1-CE 3.29Å; H38-K42 PolarHBondContact O-N 3.32Å
39F94.4Very high88Confident26 Ų2645.6 Ų45.611%0.11423%0.225CC..Hα-helixtrans-69.4-48.1-179.5172.7-95.7000111.6D37 T41 K42 L43 T81 T108 L138D37-F39 PolarHBondContact O-N 3.13Å; D37-F39 PolarHBondContact OD1-N 3.42Å; F39-T41 VanDerWaalsContact C-N 3.26Å; F39-T41 PolarHBondContact O-N 3.12Å; F39-K42 WeakPolarHBondContact O-CB 3.41Å; F39-K42 PolarHBondContact O-N 3.17Å; F39-K42 VanDerWaalsContact O-N 3.14Å; F39-L43 HydrophobicContact CE1-CD2 4.12Å; F39-L43 WeakPolarHBondContact O-CB 3.25Å; F39-L43 PolarHBondContact O-N 3.37Å; F39-T81 HydrophobicContact CB-CG2 3.78Å; F39-T81 HydrophobicContact CD1-CG2 3.61Å; F39-T81 HydrophobicContact CG-CG2 3.94Å; F39-T108 HydrophobicContact CD1-CG2 3.97Å; F39-T108 HydrophobicContact CE1-CG2 3.95Å; F39-L138 HydrophobicContact CD2-CD2 4.36Å; F39-L138 HydrophobicContact CE2-CD2 3.87Å; F39-L138 HydrophobicContact CE2-CG 4.09Å; F39-L138 HydrophobicContact CZ-CD2 4.23Å
40T95.2Very high89.4Confident0 Ų041 Ų410%021%0.205CC..Hα-helixtrans-66.3-29.4178.254.10000112.5D37 L43 L44 F79 T108D37-T40 PolarHBondContact N-OG1 3Å; D37-T40 PolarHBondContact O-OG1 3.35Å; D37-T40 VanDerWaalsContact OD1-CB 3.25Å; D37-T40 WeakPolarHBondContact OD1-CB 3.23Å; D37-T40 VanDerWaalsContact OD1-CG2 3.29Å; D37-T40 WeakPolarHBondContact OD1-CG2 3.47Å; D37-T40 PolarHBondContact OD1-N 3.32Å; D37-T40 PolarHBondContact OD1-OG1 2.71Å; T40-L43 PolarHBondContact O-N 2.87Å; T40-L44 WeakPolarHBondContact O-CB 3.2Å; T40-L44 PolarHBondContact O-N 2.96Å; T40-F79 HydrophobicContact CG2-CD1 3.81Å; T40-F79 HydrophobicContact CG2-CD2 4.02Å; T40-F79 HydrophobicContact CG2-CE1 3.87Å; T40-F79 HydrophobicContact CG2-CE2 4.06Å; T40-F79 HydrophobicContact CG2-CG 3.89Å; T40-F79 HydrophobicContact CG2-CZ 4Å; T40-F79 PolarHBondContact OG1-O 2.77Å; T40-T108 HydrophobicContact CG2-CG2 3.3Å
41T95.1Very high90.6Very high61 Ų6140.4 Ų40.437%0.37421%0.207SC..Hα-helixtrans-60.8-49.4169.4-60.90000111L36 D37 F39 S45L36-T41 WeakPolarHBondContact CB-OG1 3.39Å; D37-T41 VanDerWaalsContact O-CB 3.24Å; D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 3.05Å; D37-T41 PolarHBondContact O-OG1 3.48Å; F39-T41 VanDerWaalsContact C-N 3.26Å; F39-T41 PolarHBondContact O-N 3.12Å; T41-S45 WeakPolarHBondContact O-CB 3.39Å; T41-S45 PolarHBondContact O-N 3.16Å; T41-S45 PolarHBondContact O-OG 3.37Å
42K93.7Very high91.7Very high67 Ų6735.3 Ų35.329%0.29119%0.191SC..Hα-helixtrans-63-40.6175-71.8-178.2174.7-177.70112.4H38 F39 S45 S46 L138 D148H38-K42 WeakPolarHBondContact CE1-CE 3.29Å; H38-K42 PolarHBondContact O-N 3.32Å; F39-K42 WeakPolarHBondContact O-CB 3.41Å; F39-K42 PolarHBondContact O-N 3.17Å; F39-K42 VanDerWaalsContact O-N 3.14Å; K42-S45 WeakPolarHBondContact CA-OG 3.4Å; K42-S45 PolarHBondContact O-OG 3.29Å; K42-S45 VanDerWaalsContact O-OG 3.05Å; K42-S46 WeakPolarHBondContact O-CB 3.47Å; K42-S46 PolarHBondContact O-N 3.23Å; K42-L138 HydrophobicContact CB-CD1 4.12Å; K42-L138 HydrophobicContact CB-CD2 4Å; K42-L138 HydrophobicContact CD-CD1 4.13Å; K42-D148 WeakPolarHBondContact CD-OD2 3.43Å; K42-D148 VanDerWaalsContact NZ-CG 3.27Å; K42-D148 IonicContact NZ-OD1 2.86Å; K42-D148 PolarHBondContact NZ-OD1 3.21Å; K42-D148 IonicContact NZ-OD2 2.68Å; K42-D148 PolarHBondContact NZ-OD2 3.35Å
43L94.6Very high92.1Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-61.9-48.7179.6178.657.8000111.3V13 I17 F39 T40 S46 C47 F79 I135 F137 L138 P139V13-L43 HydrophobicContact CG1-CD1 3.86Å; I17-L43 HydrophobicContact CD1-CG 4.48Å; F39-L43 HydrophobicContact CE1-CD2 4.12Å; F39-L43 WeakPolarHBondContact O-CB 3.25Å; F39-L43 PolarHBondContact O-N 3.37Å; T40-L43 PolarHBondContact O-N 2.87Å; L43-S46 PolarHBondContact O-N 3.16Å; L43-C47 PolarHBondContact O-N 3.01Å; L43-C47 PolarHBondContact O-SG 2.9Å; L43-F79 HydrophobicContact CD2-CE1 3.97Å; L43-F79 HydrophobicContact CD2-CZ 3.71Å; L43-I135 HydrophobicContact CD1-CG2 4.15Å; L43-I135 HydrophobicContact CD2-CB 4.5Å; L43-I135 HydrophobicContact CD2-CG2 3.86Å; L43-F137 WeakPolarHBondContact CD1-O 3.12Å; L43-L138 HydrophobicContact CB-CD2 3.87Å; L43-L138 HydrophobicContact CD1-CD2 4.25Å; L43-P139 HydrophobicContact CD1-CG 4.44Å
44L93.2Very high91.9Very high7 Ų740.3 Ų40.34%0.03722%0.217CC..Hα-helixtrans-68.3-43.7177.9-79.8173.1000111.9W14 I17 L34 L36 T40 S46 C47 C48 F79W14-L44 HydrophobicContact CZ3-CD2 4.13Å; I17-L44 HydrophobicContact CD1-CD2 3.95Å; I17-L44 HydrophobicContact CG2-CD2 4.05Å; L34-L44 HydrophobicContact CD2-CD1 3.76Å; L36-L44 HydrophobicContact CD1-CD1 3.5Å; L36-L44 HydrophobicContact CD2-CD1 3.49Å; L36-L44 VanDerWaalsContact CD2-CD1 3.49Å; L36-L44 HydrophobicContact CG-CD1 4.14Å; T40-L44 WeakPolarHBondContact O-CB 3.2Å; T40-L44 PolarHBondContact O-N 2.96Å; L44-S46 PolarHBondContact O-N 3.33Å; L44-C47 PolarHBondContact O-N 3.21Å; L44-C47 VanDerWaalsContact O-N 3.13Å; L44-C48 PolarHBondContact O-N 3.3Å; L44-C48 PolarHBondContact O-SG 3.07Å; L44-F79 HydrophobicContact CD1-CD1 3.94Å; L44-F79 HydrophobicContact CD1-CE1 4.41Å; L44-F79 HydrophobicContact CG-CD1 4.24Å; L44-F79 HydrophobicContact CG-CE1 4.21Å
45S91.3Very high91.6Very high87 Ų8747.3 Ų47.361%0.60825%0.249SC*.Hα-helixtrans-62.5-26178.4700000113T41 K42T41-S45 WeakPolarHBondContact O-CB 3.39Å; T41-S45 PolarHBondContact O-N 3.16Å; T41-S45 PolarHBondContact O-OG 3.37Å; K42-S45 WeakPolarHBondContact CA-OG 3.4Å; K42-S45 PolarHBondContact O-OG 3.29Å; K42-S45 VanDerWaalsContact O-OG 3.05Å
46S89.9Confident91Very high25 Ų2549.3 Ų49.318%0.17526%0.258CS..Hα-helixtrans-74.1-32.3176.3-164.90000113.6K10 K42 L43 L44 P139K10-S46 WeakPolarHBondContact CD-O 3.46Å; K10-S46 WeakPolarHBondContact CE-O 3.16Å; K10-S46 WeakPolarHBondContact CE-OG 3.48Å; K42-S46 WeakPolarHBondContact O-CB 3.47Å; K42-S46 PolarHBondContact O-N 3.23Å; L43-S46 PolarHBondContact O-N 3.16Å; L44-S46 PolarHBondContact O-N 3.33Å; S46-P139 PolarHBondContact OG-O 2.96Å
47C89.7Confident90.4Very high18 Ų1850 Ų5012%0.12227%0.267CS..Hα-helixtrans-112.7-13.3-170.465.90000115.4K10 V13 W14 L43 L44 P139K10-C47 HydrophobicContact CB-CB 4.38Å; K10-C47 WeakPolarHBondContact O-CB 3.29Å; V13-C47 HydrophobicContact CG1-CB 4.42Å; W14-C47 HydrophobicContact CB-CB 4.12Å; L43-C47 PolarHBondContact O-N 3.01Å; L43-C47 PolarHBondContact O-SG 2.9Å; L44-C47 PolarHBondContact O-N 3.21Å; L44-C47 VanDerWaalsContact O-N 3.13Å; C47-P139 HydrophobicContact CB-CG 4.47Å
48C87.9Confident89.9Confident14 Ų1450.3 Ų50.310%0.09527%0.269CS..  trans-145155.2179.972.50000113.1W14 L44 D52W14-C48 HydrophobicContact CD2-CB 3.8Å; W14-C48 HydrophobicContact CE3-CB 3.47Å; W14-C48 VanDerWaalsContact CE3-CB 3.47Å; W14-C48 HydrophobicContact CH2-CB 3.82Å; W14-C48 HydrophobicContact CZ2-CB 4.11Å; W14-C48 HydrophobicContact CZ3-CB 3.49Å; W14-C48 VanDerWaalsContact CZ3-CB 3.49Å; L44-C48 PolarHBondContact O-N 3.3Å; L44-C48 PolarHBondContact O-SG 3.07Å; C48-D52 HydrophobicContact CB-CB 4.5Å
49K88.4Confident89.5Confident80 Ų8047 Ų4735%0.34826%0.257SS..  trans-96.3160.7171.6-67.6173-176.2133.50111.1S51 D52 L53 D287K49-S51 WeakPolarHBondContact CB-OG 3.37Å; K49-S51 PolarHBondContact O-N 3.44Å; K49-D52 WeakPolarHBondContact CB-OD2 3.3Å; K49-D52 PolarHBondContact N-OD2 3.32Å; K49-D52 WeakPolarHBondContact O-CB 3.33Å; K49-D52 PolarHBondContact O-N 3.34Å; K49-L53 PolarHBondContact O-N 3.13Å; K49-L53 VanDerWaalsContact O-N 3.17Å; K49-D287 WeakPolarHBondContact CE-OD1 3.31Å; K49-D287 WeakPolarHBondContact CE-OD2 3.36Å; K49-D287 IonicContact NZ-OD1 3.24Å; K49-D287 PolarHBondContact NZ-OD1 2.91Å; K49-D287 IonicContact NZ-OD2 3.03Å
50M87.4Confident89.3Confident104 Ų10449.5 Ų49.551%0.51227%0.271SS..Hα-helixtrans-55.8-35.8171.4-168.760.470.800112.2D52 L53 M54 V61M50-D52 PolarHBondContact O-N 3.42Å; M50-L53 PolarHBondContact O-N 3.2Å; M50-L53 HydrophobicContact SD-CD1 4.32Å; M50-M54 HydrophobicContact CG-SD 4.39Å; M50-M54 VanDerWaalsContact O-CG 3.29Å; M50-M54 WeakPolarHBondContact O-CG 3.38Å; M50-M54 PolarHBondContact O-N 3.31Å; M50-V61 HydrophobicContact CE-CB 4.19Å; M50-V61 HydrophobicContact CE-CG2 3.84Å; M50-V61 HydrophobicContact SD-CG2 3.92Å
51S88.9Confident89.2Confident56 Ų5651.8 Ų51.839%0.39228%0.284SS..Hα-helixtrans-59.2-36.1174.654.40000113.1K49 Q55K49-S51 WeakPolarHBondContact CB-OG 3.37Å; K49-S51 PolarHBondContact O-N 3.44Å; S51-Q55 VanDerWaalsContact O-CG 3.29Å; S51-Q55 WeakPolarHBondContact O-CG 3.48Å; S51-Q55 PolarHBondContact O-N 2.95Å
52D88.8Confident89.2Confident47 Ų4751.2 Ų51.225%0.25128%0.278SS..Hα-helixtrans-76.2-40.7-176.6-49.8-26.3000109.3W14 C48 K49 M50 M54 Q55 E56W14-D52 HydrophobicContact CZ2-CB 4.18Å; C48-D52 HydrophobicContact CB-CB 4.5Å; K49-D52 WeakPolarHBondContact CB-OD2 3.3Å; K49-D52 PolarHBondContact N-OD2 3.32Å; K49-D52 WeakPolarHBondContact O-CB 3.33Å; K49-D52 PolarHBondContact O-N 3.34Å; M50-D52 PolarHBondContact O-N 3.42Å; D52-M54 PolarHBondContact O-N 3.1Å; D52-Q55 PolarHBondContact O-N 3.03Å; D52-E56 WeakPolarHBondContact O-CG 3.46Å; D52-E56 PolarHBondContact O-N 3.04Å
53L88.7Confident89.2Confident11 Ų1150.5 Ų50.56%0.05828%0.277CS..Hα-helixtrans-61.3-41.9173.5-64.9170.9000112.1W14 L34 K49 M50 E56 G57 I58 V61W14-L53 HydrophobicContact CH2-CD2 3.75Å; W14-L53 HydrophobicContact CZ3-CD2 3.96Å; L34-L53 HydrophobicContact CD2-CD2 4.37Å; K49-L53 PolarHBondContact O-N 3.13Å; K49-L53 VanDerWaalsContact O-N 3.17Å; M50-L53 PolarHBondContact O-N 3.2Å; M50-L53 HydrophobicContact SD-CD1 4.32Å; L53-E56 PolarHBondContact O-N 2.82Å; L53-G57 PolarHBondContact O-N 3.13Å; L53-I58 HydrophobicContact CB-CB 4.28Å; L53-I58 HydrophobicContact CB-CD1 4.4Å; L53-I58 HydrophobicContact CD2-CD1 3.82Å; L53-I58 WeakPolarHBondContact O-CB 3.49Å; L53-I58 PolarHBondContact O-N 2.66Å; L53-I58 VanDerWaalsContact O-N 3.13Å; L53-V61 HydrophobicContact CD1-CG2 4.08Å
54M86.9Confident89.3Confident112 Ų11250.7 Ų50.755%0.55228%0.278SS*.Hα-helixtrans-65.1-37.9177.9-70.7-179.280.200112.8M50 D52 E56 G57 I58M50-M54 HydrophobicContact CG-SD 4.39Å; M50-M54 VanDerWaalsContact O-CG 3.29Å; M50-M54 WeakPolarHBondContact O-CG 3.38Å; M50-M54 PolarHBondContact O-N 3.31Å; D52-M54 PolarHBondContact O-N 3.1Å; M54-E56 PolarHBondContact O-N 3.06Å; M54-G57 PolarHBondContact O-N 2.93Å; M54-G57 VanDerWaalsContact O-N 3.12Å; M54-I58 WeakPolarHBondContact CA-O 3.21Å
55Q86.3Confident89.3Confident151 Ų15155.6 Ų55.671%0.70630%0.297SS*.Hα-helixtrans-63-28.3174.8-74.7171.126.200112.4S51 D52 G57S51-Q55 VanDerWaalsContact O-CG 3.29Å; S51-Q55 WeakPolarHBondContact O-CG 3.48Å; S51-Q55 PolarHBondContact O-N 2.95Å; D52-Q55 PolarHBondContact O-N 3.03Å; Q55-G57 VanDerWaalsContact C-N 3.3Å
56E84.4Confident89.4Confident42 Ų4258.1 Ų58.120%0.19630%0.296CS..THydrogen-bonded Turntrans-89.28.7177.6-61.3-61.7153.300113.5W14 K18 I22 D52 L53 M54W14-E56 HydrophobicContact CZ2-CG 4.48Å; K18-E56 WeakPolarHBondContact CE-OE1 3.43Å; K18-E56 WeakPolarHBondContact CE-OE2 3.45Å; K18-E56 IonicContact NZ-OE1 3.04Å; K18-E56 PolarHBondContact NZ-OE1 2.98Å; K18-E56 IonicContact NZ-OE2 3.57Å; I22-E56 HydrophobicContact CD1-CB 3.79Å; I22-E56 HydrophobicContact CD1-CG 3.81Å; I22-E56 HydrophobicContact CG2-CB 3.76Å; I22-E56 HydrophobicContact CG2-CG 4.25Å; I22-E56 WeakPolarHBondContact CG2-OE2 3.07Å; D52-E56 WeakPolarHBondContact O-CG 3.46Å; D52-E56 PolarHBondContact O-N 3.04Å; L53-E56 PolarHBondContact O-N 2.82Å; M54-E56 PolarHBondContact O-N 3.06Å
57G82.9Confident89.3Confident21 Ų2162.7 Ų62.722%0.21633%0.329CS..THydrogen-bonded Turntrans85.616.3173.400000115.4K32 L53 M54 Q55K32-G57 PolarHBondContact N-O 2.74Å; L53-G57 PolarHBondContact O-N 3.13Å; M54-G57 PolarHBondContact O-N 2.93Å; M54-G57 VanDerWaalsContact O-N 3.12Å; Q55-G57 VanDerWaalsContact C-N 3.3Å
58I87.4Confident89.4Confident8 Ų862.7 Ų62.74%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-89.9118.5172.2-56.4178.3000108.4L34 L53 M54 V61L34-I58 HydrophobicContact CB-CD1 4.46Å; L34-I58 HydrophobicContact CB-CG2 3.59Å; L34-I58 HydrophobicContact CD2-CD1 4.04Å; L34-I58 HydrophobicContact CD2-CG2 4.38Å; L53-I58 HydrophobicContact CB-CB 4.28Å; L53-I58 HydrophobicContact CB-CD1 4.4Å; L53-I58 HydrophobicContact CD2-CD1 3.82Å; L53-I58 WeakPolarHBondContact O-CB 3.49Å; L53-I58 PolarHBondContact O-N 2.66Å; L53-I58 VanDerWaalsContact O-N 3.13Å; M54-I58 WeakPolarHBondContact CA-O 3.21Å; I58-V61 HydrophobicContact CG2-CG2 4.3Å
59T84.8Confident89.5Confident49 Ų4969.6 Ų69.630%0.30136%0.357SS..EExtended strand (participates in β ladder)trans-91.1-39.9-176.643.60000113.1W31 K32W31-T59 HydrophobicContact CB-CG2 3.68Å; W31-T59 HydrophobicContact CD2-CG2 3.47Å; W31-T59 VanDerWaalsContact CD2-CG2 3.47Å; W31-T59 HydrophobicContact CE3-CG2 3.17Å; W31-T59 HydrophobicContact CG-CG2 3.74Å; W31-T59 HydrophobicContact CZ3-CG2 3.87Å; K32-T59 PolarHBondContact O-N 3.17Å; K32-T59 VanDerWaalsContact O-N 3.16Å; K32-T59 PolarHBondContact O-OG1 3.35Å
60I89.6Confident89.5Confident80 Ų8070.1 Ų70.141%0.4137%0.369SS..EExtended strand (participates in β ladder)trans-135.1133.7-171.2-56.4177.1000108.2L34 E62L34-I60 PolarHBondContact N-O 3.46Å; I60-E62 HydrophobicContact CG2-CG 3.64Å
61V93.1Very high89.6Confident47 Ų4767.4 Ų67.429%0.28536%0.358SS..EExtended strand (participates in β ladder)trans-109.7122.6169.6-175.50000108L34 L36 M50 L53 I58L34-V61 HydrophobicContact CB-CG2 4.37Å; L34-V61 HydrophobicContact CD2-CG1 4.5Å; L34-V61 HydrophobicContact CD2-CG2 4.22Å; L34-V61 CarbonylContact O-C 3.51Å; L34-V61 VanDerWaalsContact O-CA 3.27Å; L34-V61 WeakPolarHBondContact O-CA 3.31Å; L36-V61 HydrophobicContact CD1-CG1 3.5Å; L36-V61 HydrophobicContact CG-CG1 4.05Å; M50-V61 HydrophobicContact CE-CB 4.19Å; M50-V61 HydrophobicContact CE-CG2 3.84Å; M50-V61 HydrophobicContact SD-CG2 3.92Å; L53-V61 HydrophobicContact CD1-CG2 4.08Å; I58-V61 HydrophobicContact CG2-CG2 4.3Å
62E94.4Very high89.6Confident50 Ų5070 Ų7023%0.23437%0.366CS..EExtended strand (participates in β ladder)trans-122.1155.4-179.4-56.6-165.4125.500112.1I33 L34 I35 L36 I60 R68 Y100I33-E62 HydrophobicContact CG2-CG 4.19Å; L34-E62 PolarHBondContact O-N 2.93Å; I35-E62 WeakPolarHBondContact CA-O 3.42Å; L36-E62 PolarHBondContact N-O 2.67Å; I60-E62 HydrophobicContact CG2-CG 3.64Å; E62-R68 HydrophobicContact CB-CG 4.19Å; E62-R68 WeakPolarHBondContact OE2-CD 3.47Å; E62-R68 WeakPolarHBondContact OE2-CG 2.99Å; E62-Y100 PolarHBondContact OE2-OH 3.25Å
63D95.2Very high89.4Confident52 Ų5275.5 Ų75.528%0.27839%0.391SS..EExtended strand (participates in β ladder)trans-87.4126.6175.8-177.8-23.5000110.4Y65 K66 R68D63-Y65 PolarHBondContact O-N 2.8Å; D63-Y65 PolarHBondContact OD1-N 3.42Å; D63-K66 HydrophobicContact CB-CB 4.16Å; D63-K66 HydrophobicContact CB-CD 3.91Å; D63-K66 HydrophobicContact CB-CG 3.89Å; D63-K66 PolarHBondContact O-N 2.94Å; D63-K66 WeakPolarHBondContact OD2-CE 3.47Å; D63-R68 WeakPolarHBondContact O-CD 3.45Å; D63-R68 PolarHBondContact O-NE 2.82Å; D63-R68 VanDerWaalsContact O-NE 3.13Å
64L95.1Very high89.4Confident3 Ų377.2 Ų77.22%0.01640%0.399CS..THydrogen-bonded Turntrans-55.7-35.4179.4-178.361.3000112.9I35 L36 D37 R68 Y78 M80 C86 A89I35-L64 HydrophobicContact CG2-CB 3.87Å; I35-L64 HydrophobicContact CG2-CD1 3.8Å; I35-L64 HydrophobicContact CG2-CG 4.44Å; L36-L64 WeakPolarHBondContact O-CB 3.24Å; L36-L64 PolarHBondContact O-N 3.45Å; D37-L64 HydrophobicContact CB-CD2 4.3Å; L64-R68 PolarHBondContact O-NH2 2.64Å; L64-Y78 HydrophobicContact CD1-CD1 3.97Å; L64-Y78 HydrophobicContact CD1-CE1 3.84Å; L64-M80 HydrophobicContact CD2-CB 4.23Å; L64-M80 HydrophobicContact CD2-SD 4.12Å; L64-C86 HydrophobicContact CD2-CB 3.85Å; L64-A89 HydrophobicContact CD1-CB 4.09Å; L64-A89 HydrophobicContact CD2-CB 4.26Å; L64-A89 HydrophobicContact CG-CB 3.82Å
65Y94.4Very high89.4Confident111 Ų11174.1 Ų74.144%0.43538%0.382SS..THydrogen-bonded Turntrans-85.8-15.1-175.3-55.1-61.3000113.4D37 D63 K85 C86 A89D37-Y65 HydrophobicContact CB-CE2 4.14Å; D63-Y65 PolarHBondContact O-N 2.8Å; D63-Y65 PolarHBondContact OD1-N 3.42Å; Y65-K85 HydrophobicContact CE1-CB 4.46Å; Y65-C86 PolarHBondContact OH-SG 3.19Å; Y65-A89 HydrophobicContact CD1-CB 4.44Å
66K93.4Very high89.7Confident139 Ų13966.9 Ų66.960%0.60435%0.349SS*.SBendtrans-83151.1178-67.6-175.3-174.3177.40111.2D63 R68D63-K66 HydrophobicContact CB-CB 4.16Å; D63-K66 HydrophobicContact CB-CD 3.91Å; D63-K66 HydrophobicContact CB-CG 3.89Å; D63-K66 PolarHBondContact O-N 2.94Å; D63-K66 WeakPolarHBondContact OD2-CE 3.47Å; K66-R68 PolarHBondContact O-N 3.05Å; K66-R68 PolarHBondContact O-NE 3.32Å; K66-R68 VanDerWaalsContact O-NE 3.08Å
67S88.1Confident90.1Very high122 Ų12265 Ų6585%0.85334%0.34SS*.  trans-66.1133.3168.4-168.20000108.9
68R91.6Very high90.7Very high17 Ų1764 Ų646%0.06433%0.33CS..  trans-131143.8-170.5-72.7163.6-78.4138.4-1.6109.4E62 D63 L64 K66 D93 Y100E62-R68 HydrophobicContact CB-CG 4.19Å; E62-R68 WeakPolarHBondContact OE2-CD 3.47Å; E62-R68 WeakPolarHBondContact OE2-CG 2.99Å; D63-R68 WeakPolarHBondContact O-CD 3.45Å; D63-R68 PolarHBondContact O-NE 2.82Å; D63-R68 VanDerWaalsContact O-NE 3.13Å; L64-R68 PolarHBondContact O-NH2 2.64Å; K66-R68 PolarHBondContact O-N 3.05Å; K66-R68 PolarHBondContact O-NE 3.32Å; K66-R68 VanDerWaalsContact O-NE 3.08Å; R68-D93 IonicContact CZ-OD1 3.63Å; R68-D93 IonicContact CZ-OD2 3.66Å; R68-D93 VanDerWaalsContact CZ-OD2 3.24Å; R68-D93 IonicContact NH1-OD1 3.45Å; R68-D93 IonicContact NH1-OD2 2.7Å; R68-D93 PolarHBondContact NH1-OD2 3.08Å; R68-D93 VanDerWaalsContact NH2-CG 3.32Å; R68-D93 IonicContact NH2-OD1 3.18Å; R68-D93 PolarHBondContact NH2-OD1 3.17Å; R68-D93 IonicContact NH2-OD2 2.78Å; R68-D93 PolarHBondContact NH2-OD2 3.34Å; R68-Y100 PolarHBondContact NH1-OH 2.83Å
69E88.7Confident91.1Very high160 Ų16063.7 Ų63.775%0.74833%0.328SS*.  trans-73135.3179.7-66.3-171.1168.300110.6V71E69-V71 PolarHBondContact O-N 3.11Å
70P89.6Confident91.7Very high91 Ų9161.4 Ų61.459%0.59131%0.314SS*.  trans-65.4123.9176.5-22.233.9000112.2K99P70-K99 CarbonylContact C-O 3.59Å; P70-K99 HydrophobicContact CG-CG 4.4Å
71V90.3Very high91.9Very high47 Ų4758.6 Ų58.629%0.28530%0.3SS..EExtended strand (participates in β ladder)trans-120.382.4174.4-168.70000109.4I33 E69 E73 M74 K99 Y100I33-V71 HydrophobicContact CD1-CB 3.9Å; I33-V71 HydrophobicContact CD1-CG1 4.26Å; I33-V71 HydrophobicContact CD1-CG2 4.02Å; E69-V71 PolarHBondContact O-N 3.11Å; V71-E73 PolarHBondContact O-N 2.89Å; V71-M74 HydrophobicContact CG1-CB 3.87Å; V71-M74 HydrophobicContact CG1-CG 3.7Å; V71-M74 HydrophobicContact CG1-SD 3.97Å; V71-M74 PolarHBondContact O-N 3.31Å; V71-K99 CarbonylContact C-O 3.6Å; V71-K99 VanDerWaalsContact C-O 3.24Å; V71-K99 PolarHBondContact N-O 2.94Å; V71-Y100 HydrophobicContact CB-CD1 4.44Å
72L87.3Confident91.9Very high109 Ų10957.6 Ų57.657%0.57130%0.295SS*.EExtended strand (participates in β ladder)trans-66.2-19.4-170.5-64.1177.7000114.9P98 K101L72-P98 HydrophobicContact CD2-CG 4.47Å; L72-P98 WeakPolarHBondContact CD2-O 3.17Å; L72-K101 VanDerWaalsContact O-CB 3.31Å; L72-K101 WeakPolarHBondContact O-CB 3.16Å
73E86.1Confident91.9Very high163 Ų16358 Ų5876%0.76230%0.301SS*.EExtended strand (participates in β ladder)trans-85-25.1-178.5-61.5-177174.700112.3V71V71-E73 PolarHBondContact O-N 2.89Å
74M86.9Confident91.9Very high48 Ų4858 Ų5824%0.23631%0.308CS..EExtended strand (participates in β ladder)trans-93.8152.4-174.7-68.3-168.4-177.700112.5W31 I33 V71 K101W31-M74 HydrophobicContact CB-CE 4.38Å; I33-M74 HydrophobicContact CD1-CB 3.97Å; I33-M74 HydrophobicContact CD1-SD 3.92Å; I33-M74 HydrophobicContact CG1-CB 4.34Å; I33-M74 HydrophobicContact CG1-SD 3.88Å; V71-M74 HydrophobicContact CG1-CB 3.87Å; V71-M74 HydrophobicContact CG1-CG 3.7Å; V71-M74 HydrophobicContact CG1-SD 3.97Å; V71-M74 PolarHBondContact O-N 3.31Å; M74-K101 VanDerWaalsContact O-CB 3.28Å; M74-K101 WeakPolarHBondContact O-CB 3.44Å; M74-K101 PolarHBondContact O-N 3Å
75K88.3Confident91.9Very high46 Ų4665.6 Ų65.620%0.234%0.341CS..EExtended strand (participates in β ladder)trans-92.6141.1169.8-64.4167.1172.8-177.30108.4S28 I33 A102 Y104S28-K75 PolarHBondContact OG-NZ 3.17Å; I33-K75 PolarHBondContact N-O 2.96Å; K75-A102 HydrophobicContact CG-CB 4.36Å; K75-Y104 HydrophobicContact CB-CD2 4.43Å; K75-Y104 HydrophobicContact CB-CE2 4.05Å; K75-Y104 HydrophobicContact CD-CE2 3.83Å; K75-Y104 HydrophobicContact CG-CE2 4.23Å; K75-Y104 PolarHBondContact NZ-OH 3.41Å
76A91.9Very high91.9Very high0 Ų060.3 Ų60.30%032%0.32CS..EExtended strand (participates in β ladder)trans-109.3133.2179.700000111.2I33 I35 Y78 Y100 A102 A103 Y104I33-A76 WeakPolarHBondContact O-CA 3.44Å; I35-A76 HydrophobicContact CD1-CB 3.71Å; A76-Y78 HydrophobicContact CB-CD2 4.25Å; A76-Y78 HydrophobicContact CB-CE2 3.71Å; A76-Y100 HydrophobicContact CB-CD1 3.98Å; A76-Y100 HydrophobicContact CB-CD2 3.66Å; A76-Y100 HydrophobicContact CB-CE1 4.4Å; A76-Y100 HydrophobicContact CB-CE2 4.13Å; A76-Y100 HydrophobicContact CB-CG 3.56Å; A76-A102 PolarHBondContact N-O 2.94Å; A76-A103 WeakPolarHBondContact O-CA 3.28Å; A76-Y104 PolarHBondContact O-N 2.94Å
77I93.8Very high92Very high3 Ų353.7 Ų53.72%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-94.9119.5169.5-61.6174.2000106.8I21 C25 K32 I33 L34 I35 Y104 Y106I21-I77 HydrophobicContact CG2-CD1 4.39Å; I21-I77 HydrophobicContact CG2-CG2 3.69Å; C25-I77 HydrophobicContact CB-CD1 4.31Å; K32-I77 HydrophobicContact CB-CD1 4.09Å; K32-I77 HydrophobicContact CB-CG1 4.48Å; K32-I77 HydrophobicContact CD-CD1 3.71Å; K32-I77 HydrophobicContact CD-CG1 4.38Å; I33-I77 PolarHBondContact O-N 2.95Å; L34-I77 CarbonylContact C-O 3.24Å; L34-I77 HydrophobicContact CD1-CB 3.96Å; L34-I77 HydrophobicContact CD1-CG2 3.62Å; I35-I77 PolarHBondContact N-O 3.27Å; I77-Y104 CarbonylContact C-O 3.5Å; I77-Y104 WeakPolarHBondContact CA-O 3.31Å; I77-Y106 HydrophobicContact CG2-CD2 3.81Å; I77-Y106 HydrophobicContact CG2-CE2 3.9Å
78Y95.3Very high92.3Very high0 Ų051.5 Ų51.50%027%0.27CS..EExtended strand (participates in β ladder)trans-101.4112.7171.7-71-96.1000107.8I35 L64 A76 F90 D93 F94 Y100 A103 Y104 Y106I35-Y78 HydrophobicContact CB-CD1 3.89Å; I35-Y78 HydrophobicContact CB-CE1 4.07Å; I35-Y78 HydrophobicContact CB-CG 4.42Å; I35-Y78 HydrophobicContact CD1-CD1 3.97Å; I35-Y78 HydrophobicContact CD1-CD2 4.26Å; I35-Y78 HydrophobicContact CD1-CE1 3.42Å; I35-Y78 VanDerWaalsContact CD1-CE1 3.42Å; I35-Y78 HydrophobicContact CD1-CE2 3.74Å; I35-Y78 HydrophobicContact CD1-CG 4.38Å; I35-Y78 HydrophobicContact CG1-CE1 4.36Å; I35-Y78 HydrophobicContact CG2-CD1 3.82Å; I35-Y78 HydrophobicContact CG2-CE1 3.84Å; L64-Y78 HydrophobicContact CD1-CD1 3.97Å; L64-Y78 HydrophobicContact CD1-CE1 3.84Å; A76-Y78 HydrophobicContact CB-CD2 4.25Å; A76-Y78 HydrophobicContact CB-CE2 3.71Å; Y78-F90 AromaticContact CD1-CD2 3.65Å; Y78-F90 HydrophobicContact CD1-CD2 3.65Å; Y78-F90 HydrophobicContact CD1-CE2 4.26Å; Y78-F90 AromaticContact CD2-CD2 3.97Å; Y78-F90 HydrophobicContact CD2-CD2 3.97Å; Y78-F90 AromaticContact CD2-CE2 3.71Å; Y78-F90 HydrophobicContact CD2-CE2 3.71Å; Y78-F90 AromaticContact CE1-CD2 3.59Å; Y78-F90 HydrophobicContact CE1-CD2 3.59Å; Y78-F90 HydrophobicContact CE1-CE2 4.22Å; Y78-F90 AromaticContact CE2-CD2 3.92Å; Y78-F90 HydrophobicContact CE2-CD2 3.92Å; Y78-F90 AromaticContact CE2-CE2 3.67Å; Y78-F90 HydrophobicContact CE2-CE2 3.67Å; Y78-F90 AromaticContact CG-CD2 3.82Å; Y78-F90 HydrophobicContact CG-CD2 3.82Å; Y78-F90 AromaticContact CG-CE2 4Å; Y78-F90 HydrophobicContact CG-CE2 4Å; Y78-F90 AromaticContact CZ-CD2 3.71Å; Y78-F90 AromaticContact CZ-CE2 3.91Å; Y78-D93 WeakPolarHBondContact CE1-OD2 3.44Å; Y78-D93 WeakPolarHBondContact OH-CB 3.48Å; Y78-D93 PolarHBondContact OH-OD2 3.09Å; Y78-F94 AromaticContact CE2-CE2 3.89Å; Y78-F94 HydrophobicContact CE2-CE2 3.89Å; Y78-F94 HydrophobicContact CE2-CZ 4.07Å; Y78-F94 AromaticContact CZ-CE2 3.85Å; Y78-F94 WeakPolarHBondContact OH-CE2 3.4Å; Y78-Y100 HydrophobicContact CE2-CD2 4.46Å; Y78-Y100 WeakPolarHBondContact OH-CD2 3.46Å; Y78-Y100 WeakPolarHBondContact OH-CE2 3.32Å; Y78-A103 HydrophobicContact CD2-CB 4.01Å; Y78-A103 HydrophobicContact CE2-CB 3.94Å; Y78-Y104 PolarHBondContact N-O 2.71Å; Y78-Y106 PolarHBondContact O-N 3.05Å
79F96.1Very high92.4Very high1 Ų151.9 Ų51.90%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-109.8110167.5-179.6-144.1000107.2I17 I21 L34 I35 L36 T40 L43 L44 Y106 T108 L133I17-F79 HydrophobicContact CD1-CE1 4.23Å; I17-F79 HydrophobicContact CD1-CZ 4.49Å; I21-F79 HydrophobicContact CD1-CB 4.2Å; I21-F79 HydrophobicContact CD1-CD1 4.2Å; I21-F79 HydrophobicContact CD1-CD2 3.83Å; I21-F79 HydrophobicContact CD1-CE2 4.22Å; I21-F79 HydrophobicContact CD1-CG 3.83Å; L34-F79 HydrophobicContact CD1-CB 4.41Å; I35-F79 PolarHBondContact O-N 2.83Å; L36-F79 HydrophobicContact CD2-CB 3.77Å; L36-F79 HydrophobicContact CD2-CD1 4.02Å; L36-F79 HydrophobicContact CD2-CG 4.36Å; T40-F79 HydrophobicContact CG2-CD1 3.81Å; T40-F79 HydrophobicContact CG2-CD2 4.02Å; T40-F79 HydrophobicContact CG2-CE1 3.87Å; T40-F79 HydrophobicContact CG2-CE2 4.06Å; T40-F79 HydrophobicContact CG2-CG 3.89Å; T40-F79 HydrophobicContact CG2-CZ 4Å; T40-F79 PolarHBondContact OG1-O 2.77Å; L43-F79 HydrophobicContact CD2-CE1 3.97Å; L43-F79 HydrophobicContact CD2-CZ 3.71Å; L44-F79 HydrophobicContact CD1-CD1 3.94Å; L44-F79 HydrophobicContact CD1-CE1 4.41Å; L44-F79 HydrophobicContact CG-CD1 4.24Å; L44-F79 HydrophobicContact CG-CE1 4.21Å; F79-Y106 WeakPolarHBondContact CA-O 3.35Å; F79-T108 HydrophobicContact CD2-CG2 4.41Å; F79-T108 HydrophobicContact CE2-CG2 3.73Å; F79-T108 HydrophobicContact CZ-CG2 4.08Å; F79-L133 HydrophobicContact CE2-CD2 4.16Å; F79-L133 HydrophobicContact CZ-CD2 4.35Å
80M95.7Very high92.8Very high1 Ų144.2 Ų44.21%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-147.9158.8-168.564.4-171.7-177.500112.8L64 C86 F90 V105 Y106 F107 T108L64-M80 HydrophobicContact CD2-CB 4.23Å; L64-M80 HydrophobicContact CD2-SD 4.12Å; M80-C86 HydrophobicContact CB-CB 4.3Å; M80-C86 HydrophobicContact CG-CB 4.44Å; M80-C86 HydrophobicContact SD-CB 4.22Å; M80-F90 HydrophobicContact CE-CB 4.09Å; M80-F90 HydrophobicContact CE-CD2 4.42Å; M80-F90 HydrophobicContact CE-CG 4.11Å; M80-F90 HydrophobicContact SD-CB 4.2Å; M80-V105 HydrophobicContact CE-CG1 3.53Å; M80-Y106 PolarHBondContact N-O 2.75Å; M80-F107 HydrophobicContact CE-CD1 4.31Å; M80-F107 HydrophobicContact CE-CE1 3.37Å; M80-F107 HydrophobicContact CE-CZ 3.6Å; M80-F107 HydrophobicContact CG-CD1 4.07Å; M80-F107 HydrophobicContact CG-CE1 3.96Å; M80-F107 WeakPolarHBondContact O-CA 3.38Å; M80-F107 HydrophobicContact SD-CE1 4.42Å; M80-T108 PolarHBondContact O-N 3.12Å; M80-T108 VanDerWaalsContact O-N 3.12Å
81T94.8Very high93Very high20 Ų2040.3 Ų40.312%0.12322%0.215CC..  trans-73.3146.8171.858.20000111.7D37 F39 T83 C86 T108D37-T81 VanDerWaalsContact OD2-CB 3.22Å; D37-T81 WeakPolarHBondContact OD2-CB 3.39Å; D37-T81 WeakPolarHBondContact OD2-CG2 3.47Å; D37-T81 PolarHBondContact OD2-N 3.38Å; D37-T81 PolarHBondContact OD2-OG1 2.86Å; F39-T81 HydrophobicContact CB-CG2 3.78Å; F39-T81 HydrophobicContact CD1-CG2 3.61Å; F39-T81 HydrophobicContact CG-CG2 3.94Å; T81-T83 PolarHBondContact O-N 3.46Å; T81-T83 PolarHBondContact OG1-OG1 3.37Å; T81-C86 VanDerWaalsContact O-CB 3.32Å; T81-C86 WeakPolarHBondContact O-CB 3.34Å; T81-C86 PolarHBondContact OG1-SG 2.98Å; T81-T108 WeakPolarHBondContact CA-OG1 3.35Å; T81-T108 HydrophobicContact CG2-CG2 4.13Å
82P93.7Very high93.2Very high27 Ų2740.5 Ų40.518%0.17523%0.227CC..SBendtrans-7658.217733.5-37.2000111.7F107 T108 D109 Y110 C111 L115P82-F107 HydrophobicContact CB-CD1 3.91Å; P82-F107 HydrophobicContact CB-CE1 4.39Å; P82-F107 HydrophobicContact CB-CG 4.36Å; P82-T108 WeakPolarHBondContact CD-OG1 3.42Å; P82-D109 HydrophobicContact CG-CB 4.12Å; P82-Y110 WeakPolarHBondContact CG-O 3.35Å; P82-C111 HydrophobicContact CB-CB 4.07Å; P82-L115 WeakPolarHBondContact O-CD1 3.34Å
83T93.7Very high93.5Very high59 Ų5935.5 Ų35.536%0.36220%0.201SC..  trans-108.3149.6178.5580000111.1T81 K85 C86 V87T81-T83 PolarHBondContact O-N 3.46Å; T81-T83 PolarHBondContact OG1-OG1 3.37Å; T83-K85 PolarHBondContact O-N 2.81Å; T83-C86 PolarHBondContact O-N 3.3Å; T83-C86 PolarHBondContact OG1-N 2.84Å; T83-C86 PolarHBondContact OG1-SG 2.88Å; T83-V87 WeakPolarHBondContact O-CG2 3.3Å; T83-V87 PolarHBondContact O-N 2.87Å
84A94.4Very high93.8Very high51 Ų5127.9 Ų27.942%0.42117%0.165SC..Hα-helixtrans-54-40.5177.800000112.3C86 V87 D88 L115A84-C86 PolarHBondContact O-N 2.8Å; A84-V87 PolarHBondContact O-N 2.91Å; A84-D88 VanDerWaalsContact O-CB 3.31Å; A84-D88 WeakPolarHBondContact O-CB 3.43Å; A84-D88 VanDerWaalsContact O-CG 3.29Å; A84-D88 PolarHBondContact O-N 3Å; A84-L115 HydrophobicContact CB-CD2 4.08Å
85K95.4Very high93.7Very high162 Ų16231.7 Ų31.770%0.70418%0.18SC*.Hα-helixtrans-60.2-44.5176.5-67.1-176.3-179.6178.70112.6Y65 T83 A89Y65-K85 HydrophobicContact CE1-CB 4.46Å; T83-K85 PolarHBondContact O-N 2.81Å; K85-A89 WeakPolarHBondContact O-CB 3.37Å; K85-A89 PolarHBondContact O-N 3.17Å
86C95.3Very high93.5Very high0 Ų037.3 Ų37.30%021%0.211CC..Hα-helixtrans-68.1-44.3178.7-700000111.7D37 L64 Y65 M80 T81 T83 A84 D88 A89 F90D37-C86 PolarHBondContact OD2-SG 3.29Å; D37-C86 VanDerWaalsContact OD2-SG 3.39Å; L64-C86 HydrophobicContact CD2-CB 3.85Å; Y65-C86 PolarHBondContact OH-SG 3.19Å; M80-C86 HydrophobicContact CB-CB 4.3Å; M80-C86 HydrophobicContact CG-CB 4.44Å; M80-C86 HydrophobicContact SD-CB 4.22Å; T81-C86 VanDerWaalsContact O-CB 3.32Å; T81-C86 WeakPolarHBondContact O-CB 3.34Å; T81-C86 PolarHBondContact OG1-SG 2.98Å; T83-C86 PolarHBondContact O-N 3.3Å; T83-C86 PolarHBondContact OG1-N 2.84Å; T83-C86 PolarHBondContact OG1-SG 2.88Å; A84-C86 PolarHBondContact O-N 2.8Å; C86-D88 VanDerWaalsContact C-N 3.33Å; C86-D88 PolarHBondContact O-N 2.88Å; C86-A89 PolarHBondContact O-N 2.67Å; C86-F90 WeakPolarHBondContact O-CB 3.4Å; C86-F90 PolarHBondContact O-N 2.95Å
87V94.8Very high93.2Very high1 Ų145.6 Ų45.61%0.00625%0.248CC..Hα-helixtrans-64.1-39.4178.6175.10000111.2T83 A84 F90 I91 F107 L115 M119T83-V87 WeakPolarHBondContact O-CG2 3.3Å; T83-V87 PolarHBondContact O-N 2.87Å; A84-V87 PolarHBondContact O-N 2.91Å; V87-F90 PolarHBondContact O-N 3.2Å; V87-I91 HydrophobicContact CG1-CD1 3.83Å; V87-I91 HydrophobicContact CG1-CG1 4.47Å; V87-I91 WeakPolarHBondContact O-CB 3.22Å; V87-I91 WeakPolarHBondContact O-CD1 3.35Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.16Å; V87-F107 HydrophobicContact CG2-CE1 4.31Å; V87-F107 HydrophobicContact CG2-CZ 4.41Å; V87-L115 HydrophobicContact CG2-CB 4.33Å; V87-M119 HydrophobicContact CG1-CB 4.19Å
88D94.9Very high93Very high75 Ų7547.4 Ų47.440%0.40126%0.259SS..Hα-helixtrans-67.2-41175.9-76.7-33.6000112.6A84 C86 I91 G92 K118A84-D88 VanDerWaalsContact O-CB 3.31Å; A84-D88 WeakPolarHBondContact O-CB 3.43Å; A84-D88 VanDerWaalsContact O-CG 3.29Å; A84-D88 PolarHBondContact O-N 3Å; C86-D88 VanDerWaalsContact C-N 3.33Å; C86-D88 PolarHBondContact O-N 2.88Å; D88-I91 PolarHBondContact O-N 3.38Å; D88-G92 PolarHBondContact O-N 3.4Å; D88-K118 VanDerWaalsContact CG-NZ 3.34Å; D88-K118 WeakPolarHBondContact OD1-CE 3.33Å; D88-K118 IonicContact OD1-NZ 3.92Å; D88-K118 PolarHBondContact OD1-NZ 3.02Å; D88-K118 IonicContact OD2-NZ 3.3Å; D88-K118 PolarHBondContact OD2-NZ 3.13Å
89A94.6Very high92.8Very high25 Ų2549.1 Ų49.121%0.20727%0.267CS..Hα-helixtrans-62.6-43.1173.900000111.6L64 Y65 K85 C86 G92 D93L64-A89 HydrophobicContact CD1-CB 4.09Å; L64-A89 HydrophobicContact CD2-CB 4.26Å; L64-A89 HydrophobicContact CG-CB 3.82Å; Y65-A89 HydrophobicContact CD1-CB 4.44Å; K85-A89 WeakPolarHBondContact O-CB 3.37Å; K85-A89 PolarHBondContact O-N 3.17Å; C86-A89 PolarHBondContact O-N 2.67Å; A89-G92 PolarHBondContact O-N 3.13Å; A89-D93 PolarHBondContact O-N 3.3Å
90F95.4Very high92.7Very high0 Ų049.1 Ų49.10%027%0.267CS..Hα-helixtrans-60-46.1173.6172.7-101.2000111.9Y78 M80 C86 V87 G92 D93 F94 A103 V105 M119 C123 I127Y78-F90 AromaticContact CD1-CD2 3.65Å; Y78-F90 HydrophobicContact CD1-CD2 3.65Å; Y78-F90 HydrophobicContact CD1-CE2 4.26Å; Y78-F90 AromaticContact CD2-CD2 3.97Å; Y78-F90 HydrophobicContact CD2-CD2 3.97Å; Y78-F90 AromaticContact CD2-CE2 3.71Å; Y78-F90 HydrophobicContact CD2-CE2 3.71Å; Y78-F90 AromaticContact CE1-CD2 3.59Å; Y78-F90 HydrophobicContact CE1-CD2 3.59Å; Y78-F90 HydrophobicContact CE1-CE2 4.22Å; Y78-F90 AromaticContact CE2-CD2 3.92Å; Y78-F90 HydrophobicContact CE2-CD2 3.92Å; Y78-F90 AromaticContact CE2-CE2 3.67Å; Y78-F90 HydrophobicContact CE2-CE2 3.67Å; Y78-F90 AromaticContact CG-CD2 3.82Å; Y78-F90 HydrophobicContact CG-CD2 3.82Å; Y78-F90 AromaticContact CG-CE2 4Å; Y78-F90 HydrophobicContact CG-CE2 4Å; Y78-F90 AromaticContact CZ-CD2 3.71Å; Y78-F90 AromaticContact CZ-CE2 3.91Å; M80-F90 HydrophobicContact CE-CB 4.09Å; M80-F90 HydrophobicContact CE-CD2 4.42Å; M80-F90 HydrophobicContact CE-CG 4.11Å; M80-F90 HydrophobicContact SD-CB 4.2Å; C86-F90 WeakPolarHBondContact O-CB 3.4Å; C86-F90 PolarHBondContact O-N 2.95Å; V87-F90 PolarHBondContact O-N 3.2Å; F90-G92 PolarHBondContact O-N 2.87Å; F90-D93 WeakPolarHBondContact O-CB 3.48Å; F90-D93 PolarHBondContact O-N 3.4Å; F90-D93 VanDerWaalsContact O-N 3.12Å; F90-F94 HydrophobicContact CD2-CD2 4.39Å; F90-F94 HydrophobicContact CD2-CE2 4.04Å; F90-F94 AromaticContact CE2-CD2 3.96Å; F90-F94 HydrophobicContact CE2-CD2 3.96Å; F90-F94 AromaticContact CE2-CE2 3.46Å; F90-F94 HydrophobicContact CE2-CE2 3.46Å; F90-F94 VanDerWaalsContact CE2-CE2 3.46Å; F90-F94 HydrophobicContact CE2-CZ 4.47Å; F90-F94 HydrophobicContact CZ-CD2 4.02Å; F90-F94 AromaticContact CZ-CE2 3.87Å; F90-F94 HydrophobicContact CZ-CE2 3.87Å; F90-F94 WeakPolarHBondContact O-CD2 3.45Å; F90-A103 HydrophobicContact CE2-CB 3.7Å; F90-A103 HydrophobicContact CZ-CB 3.86Å; F90-V105 HydrophobicContact CE1-CG2 4.43Å; F90-V105 HydrophobicContact CE2-CG2 3.76Å; F90-V105 HydrophobicContact CZ-CG2 3.71Å; F90-M119 HydrophobicContact CD1-CG 3.87Å; F90-M119 HydrophobicContact CD1-SD 3.99Å; F90-M119 HydrophobicContact CE1-CG 3.6Å; F90-M119 HydrophobicContact CE1-SD 3.76Å; F90-C123 HydrophobicContact CD1-CB 4.47Å; F90-C123 HydrophobicContact CE1-CB 3.59Å; F90-C123 HydrophobicContact CZ-CB 4.18Å; F90-I127 HydrophobicContact CE1-CD1 4.07Å; F90-I127 HydrophobicContact CE1-CG1 4.3Å; F90-I127 HydrophobicContact CZ-CD1 4.2Å; F90-I127 HydrophobicContact CZ-CG1 3.93Å
91I94.8Very high92.4Very high8 Ų854.8 Ų54.84%0.04129%0.292CS..Hα-helixtrans-60-38.8176.3-70.3163.1000110.9V87 D88 D93 F94 K95 K118 Y122V87-I91 HydrophobicContact CG1-CD1 3.83Å; V87-I91 HydrophobicContact CG1-CG1 4.47Å; V87-I91 WeakPolarHBondContact O-CB 3.22Å; V87-I91 WeakPolarHBondContact O-CD1 3.35Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.16Å; D88-I91 PolarHBondContact O-N 3.38Å; I91-D93 PolarHBondContact O-N 3.44Å; I91-F94 PolarHBondContact O-N 2.9Å; I91-F94 VanDerWaalsContact O-N 3.12Å; I91-K95 HydrophobicContact CG2-CB 4.16Å; I91-K95 HydrophobicContact CG2-CD 4.15Å; I91-K95 VanDerWaalsContact O-CB 3.27Å; I91-K95 WeakPolarHBondContact O-CB 3.25Å; I91-K95 PolarHBondContact O-N 3.39Å; I91-K118 HydrophobicContact CD1-CD 4.35Å; I91-K118 HydrophobicContact CD1-CG 3.9Å; I91-Y122 HydrophobicContact CD1-CD2 4.05Å; I91-Y122 HydrophobicContact CG2-CD2 4.11Å; I91-Y122 HydrophobicContact CG2-CG 3.98Å
92G93.2Very high92.2Very high51 Ų5154 Ų5453%0.52629%0.287SS..Hα-helixtrans-55.6-32.4175.900000114.2D88 A89 F90 F94D88-G92 PolarHBondContact O-N 3.4Å; A89-G92 PolarHBondContact O-N 3.13Å; F90-G92 PolarHBondContact O-N 2.87Å; G92-F94 VanDerWaalsContact C-N 3.29Å; G92-F94 PolarHBondContact O-N 2.99Å
93D93.6Very high92.1Very high5 Ų552.7 Ų52.73%0.02728%0.279CS..Hα-helixtrans-74.2-16-179.7-70.6-20.3000114R68 Y78 A89 F90 I91 P98 K99R68-D93 IonicContact CZ-OD1 3.63Å; R68-D93 IonicContact CZ-OD2 3.66Å; R68-D93 VanDerWaalsContact CZ-OD2 3.24Å; R68-D93 IonicContact NH1-OD1 3.45Å; R68-D93 IonicContact NH1-OD2 2.7Å; R68-D93 PolarHBondContact NH1-OD2 3.08Å; R68-D93 VanDerWaalsContact NH2-CG 3.32Å; R68-D93 IonicContact NH2-OD1 3.18Å; R68-D93 PolarHBondContact NH2-OD1 3.17Å; R68-D93 IonicContact NH2-OD2 2.78Å; R68-D93 PolarHBondContact NH2-OD2 3.34Å; Y78-D93 WeakPolarHBondContact CE1-OD2 3.44Å; Y78-D93 WeakPolarHBondContact OH-CB 3.48Å; Y78-D93 PolarHBondContact OH-OD2 3.09Å; A89-D93 PolarHBondContact O-N 3.3Å; F90-D93 WeakPolarHBondContact O-CB 3.48Å; F90-D93 PolarHBondContact O-N 3.4Å; F90-D93 VanDerWaalsContact O-N 3.12Å; I91-D93 PolarHBondContact O-N 3.44Å; D93-P98 CarbonylContact O-C 3.53Å; D93-P98 WeakPolarHBondContact O-CA 3.44Å; D93-K99 HydrophobicContact CB-CD 4.21Å; D93-K99 HydrophobicContact CB-CG 4.45Å; D93-K99 PolarHBondContact O-N 3.26Å; D93-K99 WeakPolarHBondContact OD1-CD 3.37Å; D93-K99 WeakPolarHBondContact OD1-CE 3.29Å; D93-K99 IonicContact OD1-NZ 3.33Å; D93-K99 PolarHBondContact OD1-NZ 2.92Å
94F92.6Very high92.1Very high3 Ų351.3 Ų51.31%0.01327%0.267CS..Hα-helixtrans-126.7-17.3-172.7-66.9-76.5000115Y78 F90 I91 G92 P98 Y100 A103 Y126Y78-F94 AromaticContact CE2-CE2 3.89Å; Y78-F94 HydrophobicContact CE2-CE2 3.89Å; Y78-F94 HydrophobicContact CE2-CZ 4.07Å; Y78-F94 AromaticContact CZ-CE2 3.85Å; Y78-F94 WeakPolarHBondContact OH-CE2 3.4Å; F90-F94 HydrophobicContact CD2-CD2 4.39Å; F90-F94 HydrophobicContact CD2-CE2 4.04Å; F90-F94 AromaticContact CE2-CD2 3.96Å; F90-F94 HydrophobicContact CE2-CD2 3.96Å; F90-F94 AromaticContact CE2-CE2 3.46Å; F90-F94 HydrophobicContact CE2-CE2 3.46Å; F90-F94 VanDerWaalsContact CE2-CE2 3.46Å; F90-F94 HydrophobicContact CE2-CZ 4.47Å; F90-F94 HydrophobicContact CZ-CD2 4.02Å; F90-F94 AromaticContact CZ-CE2 3.87Å; F90-F94 HydrophobicContact CZ-CE2 3.87Å; F90-F94 WeakPolarHBondContact O-CD2 3.45Å; I91-F94 PolarHBondContact O-N 2.9Å; I91-F94 VanDerWaalsContact O-N 3.12Å; G92-F94 VanDerWaalsContact C-N 3.29Å; G92-F94 PolarHBondContact O-N 2.99Å; F94-P98 HydrophobicContact CD1-CB 4.02Å; F94-Y100 HydrophobicContact CZ-CD2 4.14Å; F94-A103 HydrophobicContact CE2-CB 4.03Å; F94-A103 HydrophobicContact CZ-CB 3.79Å; F94-Y126 HydrophobicContact CB-CD2 3.7Å; F94-Y126 HydrophobicContact CB-CE2 3.87Å; F94-Y126 HydrophobicContact CD1-CD1 4.27Å; F94-Y126 AromaticContact CD1-CD2 3.46Å; F94-Y126 HydrophobicContact CD1-CD2 3.46Å; F94-Y126 VanDerWaalsContact CD1-CD2 3.46Å; F94-Y126 AromaticContact CD1-CE2 3.97Å; F94-Y126 HydrophobicContact CD1-CE2 3.97Å; F94-Y126 AromaticContact CD1-CG 3.6Å; F94-Y126 HydrophobicContact CD1-CG 3.6Å; F94-Y126 HydrophobicContact CE1-CD2 4.39Å; F94-Y126 HydrophobicContact CE1-CG 4.11Å; F94-Y126 AromaticContact CG-CD2 3.82Å; F94-Y126 HydrophobicContact CG-CD2 3.82Å; F94-Y126 HydrophobicContact CG-CE2 4.34Å; F94-Y126 HydrophobicContact CG-CG 4.33Å
95K86.3Confident92.1Very high128 Ų12848.9 Ų48.956%0.55725%0.247SC*.Hα-helixtrans-67-46.9-172.2-173.8175.6-177.8178.70113.7I91 Y122I91-K95 HydrophobicContact CG2-CB 4.16Å; I91-K95 HydrophobicContact CG2-CD 4.15Å; I91-K95 VanDerWaalsContact O-CB 3.27Å; I91-K95 WeakPolarHBondContact O-CB 3.25Å; I91-K95 PolarHBondContact O-N 3.39Å; K95-Y122 HydrophobicContact CD-CD1 4.46Å
96L82.7Confident92.1Very high163 Ų16341.2 Ų41.285%0.85321%0.213SC*.SBendtrans-92.4-65-177.5-69.8173.5000111.6
97K85.3Confident92.2Very high175 Ų17541.2 Ų41.276%0.76121%0.213SC*.SBendtrans-130.8129.2173.2-69.7-176.4179.2-179.90107.4K99K97-K99 PolarHBondContact O-N 3.19Å
98P90.3Very high92.1Very high40 Ų4041.2 Ų41.226%0.2621%0.213SC..  trans-62.3131.3178.227.1-33000109.4L72 D93 F94 Y126L72-P98 HydrophobicContact CD2-CG 4.47Å; L72-P98 WeakPolarHBondContact CD2-O 3.17Å; D93-P98 CarbonylContact O-C 3.53Å; D93-P98 WeakPolarHBondContact O-CA 3.44Å; F94-P98 HydrophobicContact CD1-CB 4.02Å; P98-Y126 HydrophobicContact CB-CE1 3.98Å; P98-Y126 HydrophobicContact CB-CE2 4.44Å; P98-Y126 HydrophobicContact CG-CE1 4.28Å
99K92.1Very high92Very high36 Ų3639 Ų3916%0.15720%0.202CC..SBendtrans-77.5-27.9171.7-73.2-171.9-176.7162.90113P70 V71 D93 K97P70-K99 CarbonylContact C-O 3.59Å; P70-K99 HydrophobicContact CG-CG 4.4Å; V71-K99 CarbonylContact C-O 3.6Å; V71-K99 VanDerWaalsContact C-O 3.24Å; V71-K99 PolarHBondContact N-O 2.94Å; D93-K99 HydrophobicContact CB-CD 4.21Å; D93-K99 HydrophobicContact CB-CG 4.45Å; D93-K99 PolarHBondContact O-N 3.26Å; D93-K99 WeakPolarHBondContact OD1-CD 3.37Å; D93-K99 WeakPolarHBondContact OD1-CE 3.29Å; D93-K99 IonicContact OD1-NZ 3.33Å; D93-K99 PolarHBondContact OD1-NZ 2.92Å; K97-K99 PolarHBondContact O-N 3.19Å
100Y92.4Very high91.7Very high1 Ų143.6 Ų43.60%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-134.4160.1-172.7-48.5-74.7000111.3I33 I35 E62 R68 V71 A76 Y78 F94 A102I33-Y100 HydrophobicContact CD1-CD1 3.95Å; I33-Y100 HydrophobicContact CD1-CE1 3.68Å; I33-Y100 HydrophobicContact CG2-CE1 4.48Å; I35-Y100 HydrophobicContact CD1-CD2 4.26Å; I35-Y100 HydrophobicContact CD1-CE2 3.49Å; I35-Y100 VanDerWaalsContact CD1-CE2 3.49Å; E62-Y100 PolarHBondContact OE2-OH 3.25Å; R68-Y100 PolarHBondContact NH1-OH 2.83Å; V71-Y100 HydrophobicContact CB-CD1 4.44Å; A76-Y100 HydrophobicContact CB-CD1 3.98Å; A76-Y100 HydrophobicContact CB-CD2 3.66Å; A76-Y100 HydrophobicContact CB-CE1 4.4Å; A76-Y100 HydrophobicContact CB-CE2 4.13Å; A76-Y100 HydrophobicContact CB-CG 3.56Å; Y78-Y100 HydrophobicContact CE2-CD2 4.46Å; Y78-Y100 WeakPolarHBondContact OH-CD2 3.46Å; Y78-Y100 WeakPolarHBondContact OH-CE2 3.32Å; F94-Y100 HydrophobicContact CZ-CD2 4.14Å; Y100-A102 PolarHBondContact O-N 3.24Å
101K90.3Very high91.6Very high121 Ų12143.8 Ų43.853%0.52622%0.216SC..EExtended strand (participates in β ladder)trans-61.6-41.7-179.5-168.6171.1-179.7170.30113L72 M74L72-K101 VanDerWaalsContact O-CB 3.31Å; L72-K101 WeakPolarHBondContact O-CB 3.16Å; M74-K101 VanDerWaalsContact O-CB 3.28Å; M74-K101 WeakPolarHBondContact O-CB 3.44Å; M74-K101 PolarHBondContact O-N 3Å
102A90.3Very high91.4Very high3 Ų345.6 Ų45.63%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-160.6158.1-178.800000110.5K75 A76 Y100 Y126 R128K75-A102 HydrophobicContact CG-CB 4.36Å; A76-A102 PolarHBondContact N-O 2.94Å; Y100-A102 PolarHBondContact O-N 3.24Å; A102-Y126 WeakPolarHBondContact CA-O 3.37Å; A102-R128 HydrophobicContact CB-CG 3.77Å
103A92.4Very high91.4Very high0 Ų048.2 Ų48.20%023%0.231CC..EExtended strand (participates in β ladder)trans-113.9135.3179.200000112A76 Y78 F90 F94 V105 Y126 I127 R128A76-A103 WeakPolarHBondContact O-CA 3.28Å; Y78-A103 HydrophobicContact CD2-CB 4.01Å; Y78-A103 HydrophobicContact CE2-CB 3.94Å; F90-A103 HydrophobicContact CE2-CB 3.7Å; F90-A103 HydrophobicContact CZ-CB 3.86Å; F94-A103 HydrophobicContact CE2-CB 4.03Å; F94-A103 HydrophobicContact CZ-CB 3.79Å; A103-V105 HydrophobicContact CB-CG2 4.28Å; A103-Y126 PolarHBondContact N-O 2.89Å; A103-I127 WeakPolarHBondContact O-CA 3.17Å; A103-R128 PolarHBondContact O-N 2.91Å
104Y93.3Very high91.5Very high30 Ų3055.6 Ų55.612%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-112107.7167.9-68.6-107.4000107K75 A76 I77 Y78 R128 V129K75-Y104 HydrophobicContact CB-CD2 4.43Å; K75-Y104 HydrophobicContact CB-CE2 4.05Å; K75-Y104 HydrophobicContact CD-CE2 3.83Å; K75-Y104 HydrophobicContact CG-CE2 4.23Å; K75-Y104 PolarHBondContact NZ-OH 3.41Å; A76-Y104 PolarHBondContact O-N 2.94Å; I77-Y104 CarbonylContact C-O 3.5Å; I77-Y104 WeakPolarHBondContact CA-O 3.31Å; Y78-Y104 PolarHBondContact N-O 2.71Å; Y104-R128 HydrophobicContact CE1-CB 4.26Å; Y104-R128 HydrophobicContact CE2-CB 4.25Å; Y104-V129 HydrophobicContact CD1-CB 3.74Å; Y104-V129 HydrophobicContact CD1-CG2 3.48Å; Y104-V129 VanDerWaalsContact CD1-CG2 3.48Å; Y104-V129 HydrophobicContact CE1-CB 4.4Å; Y104-V129 HydrophobicContact CE1-CG2 3.66Å; Y104-V129 HydrophobicContact CG-CB 4.47Å
105V94.7Very high91.6Very high0 Ų056.4 Ų56.40%027%0.27CS..EExtended strand (participates in β ladder)trans-101.3124.6-172.1-176.30000109.5M80 F90 A103 F107 M119 I127 V129 C130 K131M80-V105 HydrophobicContact CE-CG1 3.53Å; F90-V105 HydrophobicContact CE1-CG2 4.43Å; F90-V105 HydrophobicContact CE2-CG2 3.76Å; F90-V105 HydrophobicContact CZ-CG2 3.71Å; A103-V105 HydrophobicContact CB-CG2 4.28Å; V105-F107 HydrophobicContact CG1-CD2 4.22Å; V105-F107 HydrophobicContact CG1-CE1 4.34Å; V105-F107 HydrophobicContact CG1-CE2 3.75Å; V105-F107 HydrophobicContact CG1-CZ 3.82Å; V105-M119 HydrophobicContact CG1-SD 4.32Å; V105-I127 HydrophobicContact CG2-CG1 4.41Å; V105-I127 HydrophobicContact CG2-CG2 4.5Å; V105-V129 PolarHBondContact N-O 2.86Å; V105-C130 VanDerWaalsContact O-CA 3.24Å; V105-C130 WeakPolarHBondContact O-CA 3.48Å; V105-K131 PolarHBondContact O-N 3.46Å
106Y95.7Very high92Very high0 Ų054 Ų540%026%0.259CS..EExtended strand (participates in β ladder)trans-124.5117.4176.6-62.6-82.8000108.4I21 D24 C25 I77 Y78 F79 M80 V129 K131 L133I21-Y106 HydrophobicContact CB-CD2 4.46Å; I21-Y106 HydrophobicContact CB-CE1 4.49Å; I21-Y106 HydrophobicContact CB-CE2 4.35Å; I21-Y106 HydrophobicContact CD1-CD1 4.45Å; I21-Y106 HydrophobicContact CD1-CD2 4.28Å; I21-Y106 HydrophobicContact CD1-CG 3.97Å; I21-Y106 HydrophobicContact CG1-CD1 3.82Å; I21-Y106 HydrophobicContact CG1-CD2 4.13Å; I21-Y106 HydrophobicContact CG1-CE1 4.16Å; I21-Y106 HydrophobicContact CG1-CE2 4.44Å; I21-Y106 HydrophobicContact CG1-CG 3.8Å; I21-Y106 HydrophobicContact CG2-CD2 3.89Å; I21-Y106 HydrophobicContact CG2-CE2 3.74Å; I21-Y106 HydrophobicContact CG2-CG 4.44Å; D24-Y106 WeakPolarHBondContact CB-OH 3.41Å; C25-Y106 PolarHBondContact SG-OH 3.18Å; I77-Y106 HydrophobicContact CG2-CD2 3.81Å; I77-Y106 HydrophobicContact CG2-CE2 3.9Å; Y78-Y106 PolarHBondContact O-N 3.05Å; F79-Y106 WeakPolarHBondContact CA-O 3.35Å; M80-Y106 PolarHBondContact N-O 2.75Å; Y106-V129 HydrophobicContact CE1-CG1 4.17Å; Y106-K131 CarbonylContact C-O 3.4Å; Y106-K131 WeakPolarHBondContact CA-O 3.43Å; Y106-K131 HydrophobicContact CD1-CB 3.99Å; Y106-K131 HydrophobicContact CE1-CB 4.2Å; Y106-K131 HydrophobicContact CE1-CD 4.37Å; Y106-L133 HydrophobicContact CD1-CD1 3.79Å; Y106-L133 HydrophobicContact CG-CD1 4.18Å
107F96.1Very high92.5Very high0 Ų050.7 Ų50.70%024%0.242CC..EExtended strand (participates in β ladder)trans-91.6143.5175-69.8-68.3000111.1M80 P82 V87 V105 D109 C111 M119 K131 E132 L133M80-F107 HydrophobicContact CE-CD1 4.31Å; M80-F107 HydrophobicContact CE-CE1 3.37Å; M80-F107 HydrophobicContact CE-CZ 3.6Å; M80-F107 HydrophobicContact CG-CD1 4.07Å; M80-F107 HydrophobicContact CG-CE1 3.96Å; M80-F107 WeakPolarHBondContact O-CA 3.38Å; M80-F107 HydrophobicContact SD-CE1 4.42Å; P82-F107 HydrophobicContact CB-CD1 3.91Å; P82-F107 HydrophobicContact CB-CE1 4.39Å; P82-F107 HydrophobicContact CB-CG 4.36Å; V87-F107 HydrophobicContact CG2-CE1 4.31Å; V87-F107 HydrophobicContact CG2-CZ 4.41Å; V105-F107 HydrophobicContact CG1-CD2 4.22Å; V105-F107 HydrophobicContact CG1-CE1 4.34Å; V105-F107 HydrophobicContact CG1-CE2 3.75Å; V105-F107 HydrophobicContact CG1-CZ 3.82Å; F107-D109 VanDerWaalsContact C-N 3.31Å; F107-D109 WeakPolarHBondContact CB-O 3.42Å; F107-C111 HydrophobicContact CD2-CB 3.82Å; F107-C111 HydrophobicContact CE2-CB 3.93Å; F107-C111 HydrophobicContact CG-CB 4.23Å; F107-C111 HydrophobicContact CZ-CB 4.42Å; F107-M119 HydrophobicContact CE2-CE 4.03Å; F107-M119 HydrophobicContact CE2-SD 4.41Å; F107-M119 HydrophobicContact CZ-CE 4.23Å; F107-M119 HydrophobicContact CZ-SD 4.07Å; F107-K131 PolarHBondContact N-O 3.44Å; F107-E132 HydrophobicContact CB-CG 4.38Å; F107-L133 PolarHBondContact O-N 3.04Å
108T94.1Very high92.9Very high1 Ų145.9 Ų45.91%0.00622%0.222CC..SBendtrans-65.8-35.2173.957.10000112.1F39 T40 F79 M80 T81 P82 N134 I135F39-T108 HydrophobicContact CD1-CG2 3.97Å; F39-T108 HydrophobicContact CE1-CG2 3.95Å; T40-T108 HydrophobicContact CG2-CG2 3.3Å; F79-T108 HydrophobicContact CD2-CG2 4.41Å; F79-T108 HydrophobicContact CE2-CG2 3.73Å; F79-T108 HydrophobicContact CZ-CG2 4.08Å; M80-T108 PolarHBondContact O-N 3.12Å; M80-T108 VanDerWaalsContact O-N 3.12Å; T81-T108 WeakPolarHBondContact CA-OG1 3.35Å; T81-T108 HydrophobicContact CG2-CG2 4.13Å; P82-T108 WeakPolarHBondContact CD-OG1 3.42Å; T108-N134 CarbonylContact O-C 3.58Å; T108-N134 VanDerWaalsContact O-CA 3.25Å; T108-N134 WeakPolarHBondContact O-CA 3.38Å; T108-N134 PolarHBondContact O-N 3.38Å; T108-N134 VanDerWaalsContact O-N 3.13Å; T108-I135 WeakPolarHBondContact CB-O 2.96Å; T108-I135 CarbonylContact O-C 3.41Å; T108-I135 PolarHBondContact O-N 3.44Å
109D91.3Very high93.1Very high30 Ų3044.1 Ų44.116%0.1621%0.21CC..SBendtrans-144-179.9-175.4-156.9-10.3000109.6P82 F107 C111P82-D109 HydrophobicContact CG-CB 4.12Å; F107-D109 VanDerWaalsContact C-N 3.31Å; F107-D109 WeakPolarHBondContact CB-O 3.42Å; D109-C111 PolarHBondContact O-N 2.93Å
110Y89.8Confident93.1Very high121 Ų12148.7 Ų48.748%0.47523%0.23SC..PPolyproline II helixtrans-54128.1178.8175-102.6000112.4P82 D113P82-Y110 WeakPolarHBondContact CG-O 3.35Å; Y110-D113 PolarHBondContact OH-OD1 3.05Å
111C91.7Very high93.1Very high4 Ų455 Ų553%0.02726%0.263CS..PPolyproline II helixtrans-92.5123.7175.3-170.40000110.2P82 F107 D109 E132P82-C111 HydrophobicContact CB-CB 4.07Å; F107-C111 HydrophobicContact CD2-CB 3.82Å; F107-C111 HydrophobicContact CE2-CB 3.93Å; F107-C111 HydrophobicContact CG-CB 4.23Å; F107-C111 HydrophobicContact CZ-CB 4.42Å; D109-C111 PolarHBondContact O-N 2.93Å; C111-E132 PolarHBondContact N-OE1 2.99Å
112S92.3Very high93.1Very high45 Ų4553.9 Ų53.932%0.31526%0.256SS..PPolyproline II helixtrans-62.6147179.269.50000111.9E114 L115 F116S112-E114 PolarHBondContact O-N 2.87Å; S112-E114 VanDerWaalsContact O-N 3.11Å; S112-L115 PolarHBondContact O-N 3.43Å; S112-L115 WeakPolarHBondContact OG-CG 3.28Å; S112-F116 PolarHBondContact O-N 3.42Å
113D93.3Very high93.2Very high107 Ų10753.8 Ų53.857%0.57226%0.255SS*.Hα-helixtrans-55.5-33.5179.8-65.2-17000112.5Y110 N117Y110-D113 PolarHBondContact OH-OD1 3.05Å; D113-N117 WeakPolarHBondContact O-CB 3.35Å; D113-N117 PolarHBondContact O-N 3.14Å; D113-N117 PolarHBondContact O-ND2 3.46Å
114E94.7Very high93.1Very high159 Ų15955.5 Ų55.574%0.74327%0.273SS*.Hα-helixtrans-61.7-51.1175.6-173-174.1168.100111.7S112 N117 K118S112-E114 PolarHBondContact O-N 2.87Å; S112-E114 VanDerWaalsContact O-N 3.11Å; E114-N117 PolarHBondContact O-N 3.44Å; E114-K118 WeakPolarHBondContact O-CB 3.44Å; E114-K118 PolarHBondContact O-N 3.27Å
115L94.4Very high93Very high20 Ų2060.9 Ų60.911%0.10530%0.297CS..Hα-helixtrans-66.6-41179.5-69.5-179.3000111.2P82 A84 V87 S112 K118 M119P82-L115 WeakPolarHBondContact O-CD1 3.34Å; A84-L115 HydrophobicContact CB-CD2 4.08Å; V87-L115 HydrophobicContact CG2-CB 4.33Å; S112-L115 PolarHBondContact O-N 3.43Å; S112-L115 WeakPolarHBondContact OG-CG 3.28Å; L115-K118 PolarHBondContact O-N 3.48Å; L115-M119 WeakPolarHBondContact O-CB 3.44Å; L115-M119 PolarHBondContact O-N 3.17Å
116F94.4Very high92.9Very high78 Ų7862.6 Ų62.634%0.34230%0.304SS..Hα-helixtrans-62.8-46.5177.7-174.8-94000112S112 K118 M119 K120S112-F116 PolarHBondContact O-N 3.42Å; F116-K118 VanDerWaalsContact C-N 3.35Å; F116-K118 PolarHBondContact O-N 3.33Å; F116-M119 HydrophobicContact CD2-CE 3.96Å; F116-M119 HydrophobicContact CE2-CE 4.16Å; F116-M119 PolarHBondContact O-N 3.46Å; F116-K120 HydrophobicContact CE1-CD 4.45Å; F116-K120 WeakPolarHBondContact O-CB 3.45Å; F116-K120 PolarHBondContact O-N 2.76Å
117N94.4Very high92.8Very high93 Ų9364 Ų6450%0.49731%0.311SS..Hα-helixtrans-64.6-39.1178.2-75.6-41.3000112.1D113 E114 K120 L121D113-N117 WeakPolarHBondContact O-CB 3.35Å; D113-N117 PolarHBondContact O-N 3.14Å; D113-N117 PolarHBondContact O-ND2 3.46Å; E114-N117 PolarHBondContact O-N 3.44Å; N117-K120 PolarHBondContact O-N 3.12Å; N117-L121 WeakPolarHBondContact O-CB 3.41Å; N117-L121 PolarHBondContact O-N 3.37Å
118K93.9Very high92.6Very high74 Ų7470.8 Ų70.832%0.32234%0.337SS..Hα-helixtrans-60.5-45.6173.3-173.1179.3174.7-177.20111.4D88 I91 E114 L115 F116 L121 Y122D88-K118 VanDerWaalsContact CG-NZ 3.34Å; D88-K118 WeakPolarHBondContact OD1-CE 3.33Å; D88-K118 IonicContact OD1-NZ 3.92Å; D88-K118 PolarHBondContact OD1-NZ 3.02Å; D88-K118 IonicContact OD2-NZ 3.3Å; D88-K118 PolarHBondContact OD2-NZ 3.13Å; I91-K118 HydrophobicContact CD1-CD 4.35Å; I91-K118 HydrophobicContact CD1-CG 3.9Å; E114-K118 WeakPolarHBondContact O-CB 3.44Å; E114-K118 PolarHBondContact O-N 3.27Å; L115-K118 PolarHBondContact O-N 3.48Å; F116-K118 VanDerWaalsContact C-N 3.35Å; F116-K118 PolarHBondContact O-N 3.33Å; K118-L121 PolarHBondContact O-N 3.31Å; K118-Y122 HydrophobicContact CG-CD2 4.4Å; K118-Y122 HydrophobicContact CG-CE2 4.29Å; K118-Y122 VanDerWaalsContact O-CD2 3.28Å; K118-Y122 WeakPolarHBondContact O-CD2 3.24Å; K118-Y122 PolarHBondContact O-N 2.96Å
119M93.3Very high92.4Very high3 Ų372.3 Ų72.32%0.01535%0.346CS..Hα-helixtrans-63.3-44.4176.7-176.1179.76300112V87 F90 V105 F107 L115 F116 L121 Y122 C123 I127V87-M119 HydrophobicContact CG1-CB 4.19Å; F90-M119 HydrophobicContact CD1-CG 3.87Å; F90-M119 HydrophobicContact CD1-SD 3.99Å; F90-M119 HydrophobicContact CE1-CG 3.6Å; F90-M119 HydrophobicContact CE1-SD 3.76Å; V105-M119 HydrophobicContact CG1-SD 4.32Å; F107-M119 HydrophobicContact CE2-CE 4.03Å; F107-M119 HydrophobicContact CE2-SD 4.41Å; F107-M119 HydrophobicContact CZ-CE 4.23Å; F107-M119 HydrophobicContact CZ-SD 4.07Å; L115-M119 WeakPolarHBondContact O-CB 3.44Å; L115-M119 PolarHBondContact O-N 3.17Å; F116-M119 HydrophobicContact CD2-CE 3.96Å; F116-M119 HydrophobicContact CE2-CE 4.16Å; F116-M119 PolarHBondContact O-N 3.46Å; M119-L121 VanDerWaalsContact C-N 3.33Å; M119-L121 PolarHBondContact O-N 2.85Å; M119-Y122 PolarHBondContact O-N 2.58Å; M119-C123 WeakPolarHBondContact O-CB 3.05Å; M119-C123 PolarHBondContact O-N 3.38Å; M119-I127 HydrophobicContact CE-CD1 4.04Å; M119-I127 HydrophobicContact CG-CD1 3.71Å; M119-I127 HydrophobicContact SD-CD1 3.9Å
120K92.3Very high92.5Very high133 Ų13373.2 Ų73.258%0.57835%0.354SS*.Hα-helixtrans-59.5-42.2178.4-176.9179.2177.8-178.90111.9F116 N117 G124F116-K120 HydrophobicContact CE1-CD 4.45Å; F116-K120 WeakPolarHBondContact O-CB 3.45Å; F116-K120 PolarHBondContact O-N 2.76Å; N117-K120 PolarHBondContact O-N 3.12Å; K120-G124 WeakPolarHBondContact O-CA 3.39Å; K120-G124 PolarHBondContact O-N 3.21Å; K120-G124 VanDerWaalsContact O-N 3.13Å
121L92.8Very high92.6Very high132 Ų13271.6 Ų71.669%0.69135%0.349SS*.Hα-helixtrans-60.8-46.1-179.1-177.765.7000112.6N117 K118 M119N117-L121 WeakPolarHBondContact O-CB 3.41Å; N117-L121 PolarHBondContact O-N 3.37Å; K118-L121 PolarHBondContact O-N 3.31Å; M119-L121 VanDerWaalsContact C-N 3.33Å; M119-L121 PolarHBondContact O-N 2.85Å
122Y90.7Very high92.6Very high99 Ų9975 Ų7539%0.38837%0.365SS..Hα-helixtrans-92-32.8-174.3-66.4-69000114I91 K95 K118 M119I91-Y122 HydrophobicContact CD1-CD2 4.05Å; I91-Y122 HydrophobicContact CG2-CD2 4.11Å; I91-Y122 HydrophobicContact CG2-CG 3.98Å; K95-Y122 HydrophobicContact CD-CD1 4.46Å; K118-Y122 HydrophobicContact CG-CD2 4.4Å; K118-Y122 HydrophobicContact CG-CE2 4.29Å; K118-Y122 VanDerWaalsContact O-CD2 3.28Å; K118-Y122 WeakPolarHBondContact O-CD2 3.24Å; K118-Y122 PolarHBondContact O-N 2.96Å; M119-Y122 PolarHBondContact O-N 2.58Å
123C92.3Very high92.5Very high0 Ų073 Ų730%035%0.35CS..Hα-helixtrans-121.3-1.8-166.4-58.80000114.3F90 M119 K125 Y126 I127F90-C123 HydrophobicContact CD1-CB 4.47Å; F90-C123 HydrophobicContact CE1-CB 3.59Å; F90-C123 HydrophobicContact CZ-CB 4.18Å; M119-C123 WeakPolarHBondContact O-CB 3.05Å; M119-C123 PolarHBondContact O-N 3.38Å; C123-K125 PolarHBondContact O-N 3.26Å; C123-Y126 PolarHBondContact O-N 2.93Å; C123-I127 HydrophobicContact CB-CD1 4.11Å; C123-I127 HydrophobicContact CB-CG1 4.42Å; C123-I127 PolarHBondContact O-N 3Å
124G89.6Confident92.4Very high37 Ų3769.3 Ų69.338%0.38133%0.331SS..THydrogen-bonded Turntrans-52.4-34.3-171.700000115K120 Y126K120-G124 WeakPolarHBondContact O-CA 3.39Å; K120-G124 PolarHBondContact O-N 3.21Å; K120-G124 VanDerWaalsContact O-N 3.13Å; G124-Y126 VanDerWaalsContact C-N 3.27Å; G124-Y126 PolarHBondContact O-N 3.4Å
125K92Very high92.3Very high143 Ų14361.7 Ų61.762%0.62230%0.295SS*.THydrogen-bonded Turntrans-64.4-25.7177.456.9168.9162.31640114.6C123 R128C123-K125 PolarHBondContact O-N 3.26Å; K125-R128 PolarHBondContact O-NH1 2.65Å
126Y92.2Very high92.4Very high36 Ų3661.6 Ų61.614%0.14130%0.296CS..THydrogen-bonded Turntrans-99.6-21.8-175.5-56.7-65.8000113.2F94 P98 A102 A103 C123 G124F94-Y126 HydrophobicContact CB-CD2 3.7Å; F94-Y126 HydrophobicContact CB-CE2 3.87Å; F94-Y126 HydrophobicContact CD1-CD1 4.27Å; F94-Y126 AromaticContact CD1-CD2 3.46Å; F94-Y126 HydrophobicContact CD1-CD2 3.46Å; F94-Y126 VanDerWaalsContact CD1-CD2 3.46Å; F94-Y126 AromaticContact CD1-CE2 3.97Å; F94-Y126 HydrophobicContact CD1-CE2 3.97Å; F94-Y126 AromaticContact CD1-CG 3.6Å; F94-Y126 HydrophobicContact CD1-CG 3.6Å; F94-Y126 HydrophobicContact CE1-CD2 4.39Å; F94-Y126 HydrophobicContact CE1-CG 4.11Å; F94-Y126 AromaticContact CG-CD2 3.82Å; F94-Y126 HydrophobicContact CG-CD2 3.82Å; F94-Y126 HydrophobicContact CG-CE2 4.34Å; F94-Y126 HydrophobicContact CG-CG 4.33Å; P98-Y126 HydrophobicContact CB-CE1 3.98Å; P98-Y126 HydrophobicContact CB-CE2 4.44Å; P98-Y126 HydrophobicContact CG-CE1 4.28Å; A102-Y126 WeakPolarHBondContact CA-O 3.37Å; A103-Y126 PolarHBondContact N-O 2.89Å; C123-Y126 PolarHBondContact O-N 2.93Å; G124-Y126 VanDerWaalsContact C-N 3.27Å; G124-Y126 PolarHBondContact O-N 3.4Å
127I93.1Very high92.5Very high30 Ų3057.9 Ų57.915%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-71.7130.4179.5-60.8167.9000108.8F90 A103 V105 M119 C123 V129 C130F90-I127 HydrophobicContact CE1-CD1 4.07Å; F90-I127 HydrophobicContact CE1-CG1 4.3Å; F90-I127 HydrophobicContact CZ-CD1 4.2Å; F90-I127 HydrophobicContact CZ-CG1 3.93Å; A103-I127 WeakPolarHBondContact O-CA 3.17Å; V105-I127 HydrophobicContact CG2-CG1 4.41Å; V105-I127 HydrophobicContact CG2-CG2 4.5Å; M119-I127 HydrophobicContact CE-CD1 4.04Å; M119-I127 HydrophobicContact CG-CD1 3.71Å; M119-I127 HydrophobicContact SD-CD1 3.9Å; C123-I127 HydrophobicContact CB-CD1 4.11Å; C123-I127 HydrophobicContact CB-CG1 4.42Å; C123-I127 PolarHBondContact O-N 3Å; I127-V129 WeakPolarHBondContact CG2-O 3.4Å; I127-C130 HydrophobicContact CG2-CB 4.23Å
128R91.4Very high92.5Very high142 Ų14253.6 Ų53.654%0.53626%0.257SS..EExtended strand (participates in β ladder)trans-110.4-35.1176.6-66.6-67.5176.5-91.4-0112.3A102 A103 Y104 K125A102-R128 HydrophobicContact CB-CG 3.77Å; A103-R128 PolarHBondContact O-N 2.91Å; Y104-R128 HydrophobicContact CE1-CB 4.26Å; Y104-R128 HydrophobicContact CE2-CB 4.25Å; K125-R128 PolarHBondContact O-NH1 2.65Å
129V91.1Very high92.6Very high33 Ų3350.1 Ų50.120%0.224%0.242CC..EExtended strand (participates in β ladder)trans-136.2138.4177177.70000107.3Y104 V105 Y106 I127 K131Y104-V129 HydrophobicContact CD1-CB 3.74Å; Y104-V129 HydrophobicContact CD1-CG2 3.48Å; Y104-V129 VanDerWaalsContact CD1-CG2 3.48Å; Y104-V129 HydrophobicContact CE1-CB 4.4Å; Y104-V129 HydrophobicContact CE1-CG2 3.66Å; Y104-V129 HydrophobicContact CG-CB 4.47Å; V105-V129 PolarHBondContact N-O 2.86Å; Y106-V129 HydrophobicContact CE1-CG1 4.17Å; I127-V129 WeakPolarHBondContact CG2-O 3.4Å; V129-K131 HydrophobicContact CG1-CB 4.5Å; V129-K131 HydrophobicContact CG1-CD 4.09Å; V129-K131 HydrophobicContact CG1-CG 3.84Å
130C92.1Very high92.7Very high49 Ų4952 Ų5233%0.33125%0.251SS..EExtended strand (participates in β ladder)trans-136.1110.9169.1-171.50000107V105 I127V105-C130 VanDerWaalsContact O-CA 3.24Å; V105-C130 WeakPolarHBondContact O-CA 3.48Å; I127-C130 HydrophobicContact CG2-CB 4.23Å
131K92.3Very high92.8Very high87 Ų8746.2 Ų46.238%0.37823%0.226SC..EExtended strand (participates in β ladder)trans-135.6156.9-178.2-73.8-173.5179-174.80111.1D24 V105 Y106 F107 V129D24-K131 IonicContact OD1-NZ 3.18Å; D24-K131 PolarHBondContact OD1-NZ 3.01Å; D24-K131 VanDerWaalsContact OD2-CD 3.25Å; D24-K131 WeakPolarHBondContact OD2-CD 2.96Å; D24-K131 WeakPolarHBondContact OD2-CE 3.41Å; D24-K131 IonicContact OD2-NZ 2.64Å; D24-K131 PolarHBondContact OD2-NZ 2.83Å; V105-K131 PolarHBondContact O-N 3.46Å; Y106-K131 CarbonylContact C-O 3.4Å; Y106-K131 WeakPolarHBondContact CA-O 3.43Å; Y106-K131 HydrophobicContact CD1-CB 3.99Å; Y106-K131 HydrophobicContact CE1-CB 4.2Å; Y106-K131 HydrophobicContact CE1-CD 4.37Å; F107-K131 PolarHBondContact N-O 3.44Å; V129-K131 HydrophobicContact CG1-CB 4.5Å; V129-K131 HydrophobicContact CG1-CD 4.09Å; V129-K131 HydrophobicContact CG1-CG 3.84Å
132E91.3Very high92.8Very high75 Ų7540.5 Ų40.535%0.3520%0.197SC..EExtended strand (participates in β ladder)trans-114127.1177.5-58.4178.8161.800108.6F107 C111 N134F107-E132 HydrophobicContact CB-CG 4.38Å; C111-E132 PolarHBondContact N-OE1 2.99Å; E132-N134 PolarHBondContact O-ND2 3Å
133L90.4Very high93.1Very high2 Ų236.5 Ų36.51%0.0118%0.182CC..  trans-87.4-26.3-178.4-86.575.3000113.2R16 I17 T20 I21 F79 Y106 F107 I135R16-L133 PolarHBondContact NE-O 3.4Å; R16-L133 PolarHBondContact NH2-O 3.34Å; I17-L133 HydrophobicContact CG1-CD2 4.04Å; T20-L133 HydrophobicContact CG2-CD1 4.04Å; T20-L133 HydrophobicContact CG2-CG 4.05Å; I21-L133 HydrophobicContact CD1-CD1 4.18Å; I21-L133 HydrophobicContact CD1-CD2 3.8Å; I21-L133 HydrophobicContact CG1-CD1 4.07Å; I21-L133 HydrophobicContact CG1-CD2 3.9Å; F79-L133 HydrophobicContact CE2-CD2 4.16Å; F79-L133 HydrophobicContact CZ-CD2 4.35Å; Y106-L133 HydrophobicContact CD1-CD1 3.79Å; Y106-L133 HydrophobicContact CG-CD1 4.18Å; F107-L133 PolarHBondContact O-N 3.04Å; L133-I135 HydrophobicContact CB-CD1 4.3Å; L133-I135 HydrophobicContact CB-CG1 4.2Å; L133-I135 HydrophobicContact CD2-CD1 4.15Å
134N90.9Very high93.3Very high30 Ų3036.5 Ų36.516%0.1618%0.182CC..  trans59.854.2-173.1-59.2-99.1000111.5T108 E132 T178 T182T108-N134 CarbonylContact O-C 3.58Å; T108-N134 VanDerWaalsContact O-CA 3.25Å; T108-N134 WeakPolarHBondContact O-CA 3.38Å; T108-N134 PolarHBondContact O-N 3.38Å; T108-N134 VanDerWaalsContact O-N 3.13Å; E132-N134 PolarHBondContact O-ND2 3Å; N134-T178 HydrophobicContact CB-CG2 4.35Å; N134-T178 WeakPolarHBondContact O-CB 3.38Å; N134-T182 PolarHBondContact O-OG1 3.14Å
135I94.3Very high93.7Very high0 Ų034.8 Ų34.80%016%0.164CC..  trans-130.999.1173.6-52.7176.2000108.6V13 R16 I17 L43 T108 L133 F137V13-I135 HydrophobicContact CG1-CD1 4.47Å; V13-I135 HydrophobicContact CG1-CG2 4.3Å; R16-I135 HydrophobicContact CB-CD1 4.3Å; R16-I135 HydrophobicContact CG-CD1 4.13Å; I17-I135 HydrophobicContact CG1-CD1 4.09Å; L43-I135 HydrophobicContact CD1-CG2 4.15Å; L43-I135 HydrophobicContact CD2-CB 4.5Å; L43-I135 HydrophobicContact CD2-CG2 3.86Å; T108-I135 WeakPolarHBondContact CB-O 2.96Å; T108-I135 CarbonylContact O-C 3.41Å; T108-I135 PolarHBondContact O-N 3.44Å; L133-I135 HydrophobicContact CB-CD1 4.3Å; L133-I135 HydrophobicContact CB-CG1 4.2Å; L133-I135 HydrophobicContact CD2-CD1 4.15Å; I135-F137 HydrophobicContact CG2-CD1 4.38Å; I135-F137 HydrophobicContact CG2-CE1 4.03Å; I135-F137 HydrophobicContact CG2-CZ 4.46Å
136S95Very high94Very high17 Ų1728.2 Ų28.212%0.11914%0.136CC..  trans-125.232.1-177-157.40000112.1Q175 T178S136-Q175 WeakPolarHBondContact O-CB 3.4Å; S136-Q175 WeakPolarHBondContact O-CG 3.46Å; S136-Q175 PolarHBondContact O-NE2 3.02Å; S136-T178 PolarHBondContact N-OG1 2.9Å
137F96.4Very high94.1Very high0 Ų026.7 Ų26.70%013%0.13CC..SBendtrans-135.4160.4175.368.7-85.9000110.2L9 V13 L43 I135 P139 F145 L179 T182L9-F137 HydrophobicContact CD1-CE2 4.02Å; L9-F137 HydrophobicContact CD1-CZ 4.16Å; L9-F137 HydrophobicContact CD2-CD2 4.41Å; L9-F137 HydrophobicContact CD2-CE2 3.77Å; L9-F137 HydrophobicContact CG-CE2 3.97Å; V13-F137 HydrophobicContact CG2-CE2 3.87Å; V13-F137 HydrophobicContact CG2-CZ 3.64Å; L43-F137 WeakPolarHBondContact CD1-O 3.12Å; I135-F137 HydrophobicContact CG2-CD1 4.38Å; I135-F137 HydrophobicContact CG2-CE1 4.03Å; I135-F137 HydrophobicContact CG2-CZ 4.46Å; F137-P139 HydrophobicContact CE2-CB 4.39Å; F137-F145 HydrophobicContact CB-CD2 4.46Å; F137-F145 HydrophobicContact CD2-CB 3.89Å; F137-F145 HydrophobicContact CE2-CB 4.46Å; F137-L179 HydrophobicContact CD1-CB 3.85Å; F137-L179 HydrophobicContact CD1-CD1 4.26Å; F137-L179 HydrophobicContact CD2-CD1 4.09Å; F137-L179 VanDerWaalsContact CE1-CA 3.44Å; F137-L179 HydrophobicContact CE1-CB 3.94Å; F137-L179 HydrophobicContact CE1-CD1 3.86Å; F137-L179 HydrophobicContact CE2-CD1 3.66Å; F137-L179 HydrophobicContact CG-CB 4.36Å; F137-L179 HydrophobicContact CG-CD1 4.37Å; F137-L179 HydrophobicContact CZ-CB 4.49Å; F137-L179 HydrophobicContact CZ-CD1 3.53Å; F137-T182 HydrophobicContact CE1-CG2 4.3Å; F137-T182 HydrophobicContact CZ-CG2 4.05Å
138L95.9Very high94.2Very high4 Ų427.7 Ų27.72%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-100.9124.8173.5-60.8-178.5000110.4F39 K42 L43 Q140 F145 T146 D148F39-L138 HydrophobicContact CD2-CD2 4.36Å; F39-L138 HydrophobicContact CE2-CD2 3.87Å; F39-L138 HydrophobicContact CE2-CG 4.09Å; F39-L138 HydrophobicContact CZ-CD2 4.23Å; K42-L138 HydrophobicContact CB-CD1 4.12Å; K42-L138 HydrophobicContact CB-CD2 4Å; K42-L138 HydrophobicContact CD-CD1 4.13Å; L43-L138 HydrophobicContact CB-CD2 3.87Å; L43-L138 HydrophobicContact CD1-CD2 4.25Å; L138-Q140 PolarHBondContact O-N 2.97Å; L138-Q140 VanDerWaalsContact O-N 3.16Å; L138-F145 WeakPolarHBondContact O-CA 3.42Å; L138-T146 HydrophobicContact CB-CG2 3.73Å; L138-T146 HydrophobicContact CD1-CG2 4.28Å; L138-T146 HydrophobicContact CG-CG2 4.42Å; L138-T146 PolarHBondContact N-O 2.88Å; L138-T146 PolarHBondContact O-N 2.97Å; L138-D148 HydrophobicContact CD1-CB 3.64Å; L138-D148 HydrophobicContact CG-CB 4.18Å
139P95.8Very high94.3Very high0 Ų023.1 Ų23.10%012%0.122CC..EExtended strand (participates in β ladder)trans-76.897.7171.932-34.2000109.2L9 K10 V13 L43 S46 C47 F137L9-P139 HydrophobicContact CB-CB 4.27Å; L9-P139 HydrophobicContact CD2-CB 3.92Å; L9-P139 HydrophobicContact CG-CB 3.83Å; K10-P139 WeakPolarHBondContact CE-O 3.49Å; K10-P139 HydrophobicContact CG-CB 3.9Å; K10-P139 HydrophobicContact CG-CG 4.16Å; V13-P139 HydrophobicContact CB-CG 4.22Å; V13-P139 HydrophobicContact CG1-CG 4.32Å; V13-P139 HydrophobicContact CG2-CB 4.26Å; V13-P139 HydrophobicContact CG2-CG 4.04Å; L43-P139 HydrophobicContact CD1-CG 4.44Å; S46-P139 PolarHBondContact OG-O 2.96Å; C47-P139 HydrophobicContact CB-CG 4.47Å; F137-P139 HydrophobicContact CE2-CB 4.39Å
140Q94.3Very high94.4Very high44 Ų4424.8 Ų24.821%0.20613%0.134CC..  trans-73.5-44.7-176.9-71.2-62.5-30.100111.5K10 L138 V144 T146 I570K10-Q140 WeakPolarHBondContact CE-O 3.29Å; K10-Q140 PolarHBondContact NZ-O 3.31Å; L138-Q140 PolarHBondContact O-N 2.97Å; L138-Q140 VanDerWaalsContact O-N 3.16Å; Q140-V144 HydrophobicContact CB-CG1 4.35Å; Q140-V144 PolarHBondContact N-O 2.89Å; Q140-T146 HydrophobicContact CG-CG2 3.43Å; Q140-T146 VanDerWaalsContact CG-CG2 3.43Å; Q140-I570 HydrophobicContact CB-CD1 4.17Å; Q140-I570 HydrophobicContact CG-CD1 3.98Å
141E95.2Very high94.4Very high10 Ų1024.4 Ų24.45%0.04714%0.138CC..SBendtrans-137.7179.1175.7-51.1-170.614300110.1Q143 V144 Q256 R295 M548 Y552E141-Q143 PolarHBondContact O-N 3.15Å; E141-V144 HydrophobicContact CB-CB 3.94Å; E141-V144 HydrophobicContact CB-CG2 4.14Å; E141-V144 HydrophobicContact CG-CB 4.15Å; E141-V144 HydrophobicContact CG-CG2 4.33Å; E141-V144 PolarHBondContact N-O 2.85Å; E141-V144 PolarHBondContact O-N 3.41Å; E141-V144 WeakPolarHBondContact OE2-CG2 3.21Å; E141-Q256 PolarHBondContact OE1-NE2 3.4Å; E141-R295 VanDerWaalsContact CD-CZ 3.49Å; E141-R295 IonicContact OE1-CZ 2.94Å; E141-R295 IonicContact OE1-NE 3.56Å; E141-R295 IonicContact OE1-NH1 3.29Å; E141-R295 PolarHBondContact OE1-NH1 2.97Å; E141-R295 IonicContact OE2-CZ 2.77Å; E141-R295 IonicContact OE2-NE 3.65Å; E141-R295 IonicContact OE2-NH1 3.13Å; E141-R295 PolarHBondContact OE2-NH1 3.05Å; E141-R295 IonicContact OE2-NH2 2.74Å; E141-M548 VanDerWaalsContact CD-CE 3.47Å; E141-M548 HydrophobicContact CG-CE 4.13Å; E141-Y552 WeakPolarHBondContact CB-OH 3.27Å; E141-Y552 VanDerWaalsContact OE2-CE2 3.22Å; E141-Y552 WeakPolarHBondContact OE2-CE2 3.45Å; E141-Y552 PolarHBondContact OE2-OH 3.16Å
142S93.1Very high94.5Very high13 Ų1320.3 Ų20.39%0.09112%0.12CC..SBendtrans-57.4-29.9178.434.90000113.7L9 E286 Y552L9-S142 WeakPolarHBondContact CB-O 3.38Å; L9-S142 PolarHBondContact N-O 2.93Å; S142-E286 WeakPolarHBondContact CB-OE1 3.44Å; S142-E286 VanDerWaalsContact N-CD 3.28Å; S142-E286 PolarHBondContact N-OE1 3.26Å; S142-E286 PolarHBondContact N-OE2 3.38Å; S142-E286 VanDerWaalsContact N-OE2 3.11Å; S142-E286 PolarHBondContact OG-OE1 3.49Å; S142-Y552 PolarHBondContact OG-OH 3.42Å
143Q95.6Very high94.6Very high15 Ų1516.8 Ų16.87%0.0710%0.104CC..SBendtrans-125.110.2177.7-57.5-166.2-60.400113.9E141 Y552 T555 V563 I564 I565E141-Q143 PolarHBondContact O-N 3.15Å; Q143-Y552 HydrophobicContact CB-CD1 4.46Å; Q143-Y552 HydrophobicContact CB-CE1 3.87Å; Q143-Y552 HydrophobicContact CB-CE2 4.26Å; Q143-Y552 HydrophobicContact CG-CD1 4.14Å; Q143-Y552 HydrophobicContact CG-CE1 3.67Å; Q143-Y552 PolarHBondContact N-OH 3.39Å; Q143-Y552 VanDerWaalsContact OE1-CA 3.3Å; Q143-T555 VanDerWaalsContact NE2-CG2 3.33Å; Q143-T555 PolarHBondContact NE2-OG1 3.04Å; Q143-V563 PolarHBondContact NE2-O 3.4Å; Q143-I564 WeakPolarHBondContact O-CA 3.43Å; Q143-I565 PolarHBondContact O-N 3.18Å
144V97.7Very high94.7Very high0 Ų019.3 Ų19.30%011%0.113CC..EExtended strand (participates in β ladder)trans-125.2130.4-175.6-173.70000111.2Q140 E141 I543 M548 Y552 I565Q140-V144 HydrophobicContact CB-CG1 4.35Å; Q140-V144 PolarHBondContact N-O 2.89Å; E141-V144 HydrophobicContact CB-CB 3.94Å; E141-V144 HydrophobicContact CB-CG2 4.14Å; E141-V144 HydrophobicContact CG-CB 4.15Å; E141-V144 HydrophobicContact CG-CG2 4.33Å; E141-V144 PolarHBondContact N-O 2.85Å; E141-V144 PolarHBondContact O-N 3.41Å; E141-V144 WeakPolarHBondContact OE2-CG2 3.21Å; V144-I543 HydrophobicContact CG1-CD1 3.74Å; V144-M548 HydrophobicContact CB-CE 4.22Å; V144-M548 HydrophobicContact CG1-CE 3.94Å; V144-M548 HydrophobicContact CG1-CG 3.98Å; V144-M548 HydrophobicContact CG1-SD 4.18Å; V144-M548 HydrophobicContact CG2-CB 4.04Å; V144-M548 HydrophobicContact CG2-CE 3.9Å; V144-M548 HydrophobicContact CG2-CG 3.92Å; V144-Y552 HydrophobicContact CG2-CE2 3.98Å; V144-I565 VanDerWaalsContact CA-O 3.28Å; V144-I565 WeakPolarHBondContact CA-O 3.31Å; V144-I565 HydrophobicContact CG2-CG2 4.02Å
145F97.8Very high94.7Very high0 Ų019.1 Ų19.10%011%0.114CC..EExtended strand (participates in β ladder)trans-124.7157.4175.174.1-83.6000112.5L9 F137 L138 L179 I536 F538 I564 I565 G566 S567L9-F145 HydrophobicContact CD2-CB 3.66Å; F137-F145 HydrophobicContact CB-CD2 4.46Å; F137-F145 HydrophobicContact CD2-CB 3.89Å; F137-F145 HydrophobicContact CE2-CB 4.46Å; L138-F145 WeakPolarHBondContact O-CA 3.42Å; F145-L179 HydrophobicContact CD1-CD2 3.57Å; F145-L179 HydrophobicContact CD2-CD2 3.91Å; F145-L179 HydrophobicContact CE1-CD2 3.29Å; F145-L179 HydrophobicContact CE2-CD2 3.67Å; F145-L179 HydrophobicContact CG-CD1 4.41Å; F145-L179 HydrophobicContact CG-CD2 3.86Å; F145-L179 HydrophobicContact CZ-CD2 3.34Å; F145-I536 HydrophobicContact CE1-CG2 4.21Å; F145-I536 HydrophobicContact CZ-CG2 4.45Å; F145-F538 AromaticContact CE2-CD2 3.83Å; F145-F538 HydrophobicContact CE2-CD2 3.83Å; F145-F538 HydrophobicContact CE2-CE2 4.15Å; F145-F538 AromaticContact CZ-CD2 3.8Å; F145-F538 HydrophobicContact CZ-CD2 3.8Å; F145-I564 HydrophobicContact CD1-CG2 3.67Å; F145-I564 HydrophobicContact CE1-CG2 3.99Å; F145-I565 WeakPolarHBondContact CD1-O 3.33Å; F145-I565 PolarHBondContact N-O 3Å; F145-G566 VanDerWaalsContact CE1-CA 3.4Å; F145-G566 VanDerWaalsContact CE1-N 3.31Å; F145-G566 WeakPolarHBondContact O-CA 3.4Å; F145-S567 PolarHBondContact O-N 3Å
146T97.3Very high94.7Very high6 Ų619.5 Ų19.54%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-136.7150.3172.8-178.70000111.2L138 Q140 D148 S567 S568 H569L138-T146 HydrophobicContact CB-CG2 3.73Å; L138-T146 HydrophobicContact CD1-CG2 4.28Å; L138-T146 HydrophobicContact CG-CG2 4.42Å; L138-T146 PolarHBondContact N-O 2.88Å; L138-T146 PolarHBondContact O-N 2.97Å; Q140-T146 HydrophobicContact CG-CG2 3.43Å; Q140-T146 VanDerWaalsContact CG-CG2 3.43Å; T146-D148 VanDerWaalsContact C-N 3.3Å; T146-D148 PolarHBondContact OG1-N 3.43Å; T146-D148 VanDerWaalsContact OG1-N 3.16Å; T146-S567 WeakPolarHBondContact CA-O 3.47Å; T146-S568 PolarHBondContact OG1-O 3.22Å; T146-S568 VanDerWaalsContact OG1-O 3.11Å; T146-H569 WeakPolarHBondContact OG1-CA 3.34Å
147C95.8Very high94.5Very high3 Ų319 Ų192%0.0211%0.112CC..  trans-84.2-1.1171.2-63.80000113.7N149 L172 Q175 S567C147-N149 VanDerWaalsContact C-N 3.28Å; C147-N149 PolarHBondContact O-N 2.92Å; C147-L172 HydrophobicContact CB-CD2 3.71Å; C147-Q175 VanDerWaalsContact CB-OE1 3.32Å; C147-Q175 PolarHBondContact O-NE2 3.05Å; C147-S567 PolarHBondContact N-O 3.38Å
148D93.9Very high94.2Very high52 Ų5219.4 Ų19.428%0.27811%0.114SC..SBendtrans53.741.1-178.6-16440000113.1K42 L138 T146 S568K42-D148 WeakPolarHBondContact CD-OD2 3.43Å; K42-D148 VanDerWaalsContact NZ-CG 3.27Å; K42-D148 IonicContact NZ-OD1 2.86Å; K42-D148 PolarHBondContact NZ-OD1 3.21Å; K42-D148 IonicContact NZ-OD2 2.68Å; K42-D148 PolarHBondContact NZ-OD2 3.35Å; L138-D148 HydrophobicContact CD1-CB 3.64Å; L138-D148 HydrophobicContact CG-CB 4.18Å; T146-D148 VanDerWaalsContact C-N 3.3Å; T146-D148 PolarHBondContact OG1-N 3.43Å; T146-D148 VanDerWaalsContact OG1-N 3.16Å; D148-S568 PolarHBondContact N-O 3.15Å
149N94Very high93.6Very high46 Ų4622.5 Ų22.525%0.24614%0.135CC..  trans-130.575.3-179.2-1712.4000112.1C147 G151 A152 S568C147-N149 VanDerWaalsContact C-N 3.28Å; C147-N149 PolarHBondContact O-N 2.92Å; N149-G151 VanDerWaalsContact C-N 3.27Å; N149-G151 PolarHBondContact O-N 3.48Å; N149-A152 HydrophobicContact CB-CB 4.28Å; N149-A152 WeakPolarHBondContact O-CB 3.29Å; N149-A152 PolarHBondContact O-N 3.37Å; N149-A152 VanDerWaalsContact O-N 3.14Å; N149-A152 PolarHBondContact OD1-N 2.91Å; N149-S568 PolarHBondContact N-O 3.28Å; N149-S568 WeakPolarHBondContact O-CB 3.34Å
150P92.9Very high92.9Very high68 Ų6828.3 Ų28.344%0.44216%0.161SC..THydrogen-bonded Turntrans-57.4-39.3174.8-24.134.4000112.9A152 F153 H569P150-A152 PolarHBondContact O-N 3.36Å; P150-F153 PolarHBondContact O-N 3.32Å; P150-F153 VanDerWaalsContact O-N 3.09Å; P150-H569 HydrophobicContact CB-CB 4.43Å; P150-H569 HydrophobicContact CG-CB 4.15Å
151G92.5Very high92Very high41 Ų4126.6 Ų26.642%0.42315%0.154SC..THydrogen-bonded Turntrans-59.4-17.9178.100000114.5N149 F153 R154 S155N149-G151 VanDerWaalsContact C-N 3.27Å; N149-G151 PolarHBondContact O-N 3.48Å; G151-F153 PolarHBondContact O-N 3.13Å; G151-R154 PolarHBondContact O-N 2.93Å; G151-S155 PolarHBondContact O-N 2.9Å; G151-S155 PolarHBondContact O-OG 3.4Å
152A93.6Very high91Very high0 Ų030.3 Ų30.30%018%0.182CC..Hα-helixtrans-58-31.8174.500000112.9N149 P150 S155 I156 T168 L172N149-A152 HydrophobicContact CB-CB 4.28Å; N149-A152 WeakPolarHBondContact O-CB 3.29Å; N149-A152 PolarHBondContact O-N 3.37Å; N149-A152 VanDerWaalsContact O-N 3.14Å; N149-A152 PolarHBondContact OD1-N 2.91Å; P150-A152 PolarHBondContact O-N 3.36Å; A152-S155 PolarHBondContact O-N 3.23Å; A152-I156 HydrophobicContact CB-CD1 4.34Å; A152-I156 VanDerWaalsContact O-CB 3.31Å; A152-I156 WeakPolarHBondContact O-CB 3.43Å; A152-I156 WeakPolarHBondContact O-CD1 3.43Å; A152-I156 WeakPolarHBondContact O-CG1 3.38Å; A152-I156 PolarHBondContact O-N 2.74Å; A152-T168 HydrophobicContact CB-CG2 3.61Å; A152-L172 HydrophobicContact CB-CD1 4.41Å
153F94.1Very high90.2Very high1 Ų138.1 Ų38.10%0.00422%0.217CC..Hα-helixtrans-58.3-55.6178.2-173.5-96.2000110.9P150 G151 I156 Y157 L446 G541 L576 D579 I580 L583P150-F153 PolarHBondContact O-N 3.32Å; P150-F153 VanDerWaalsContact O-N 3.09Å; G151-F153 PolarHBondContact O-N 3.13Å; F153-I156 PolarHBondContact O-N 3.18Å; F153-Y157 AromaticContact CD2-CD2 3.77Å; F153-Y157 HydrophobicContact CD2-CD2 3.77Å; F153-Y157 AromaticContact CD2-CE2 3.91Å; F153-Y157 HydrophobicContact CD2-CE2 3.91Å; F153-Y157 AromaticContact CE2-CD2 3.84Å; F153-Y157 HydrophobicContact CE2-CD2 3.84Å; F153-Y157 AromaticContact CE2-CE2 3.98Å; F153-Y157 HydrophobicContact CE2-CE2 3.98Å; F153-Y157 HydrophobicContact CG-CD2 4.18Å; F153-Y157 HydrophobicContact CZ-CD2 4.3Å; F153-Y157 VanDerWaalsContact O-CD2 3.3Å; F153-Y157 WeakPolarHBondContact O-CD2 3.4Å; F153-Y157 PolarHBondContact O-N 2.71Å; F153-L446 HydrophobicContact CE2-CD1 4.44Å; F153-L446 HydrophobicContact CE2-CD2 4.14Å; F153-L446 HydrophobicContact CZ-CD1 3.85Å; F153-L446 HydrophobicContact CZ-CD2 4.03Å; F153-L446 HydrophobicContact CZ-CG 4.41Å; F153-G541 VanDerWaalsContact CD2-O 3.26Å; F153-G541 WeakPolarHBondContact CD2-O 3.48Å; F153-L576 HydrophobicContact CE2-CD1 3.96Å; F153-L576 HydrophobicContact CZ-CD1 4.01Å; F153-D579 HydrophobicContact CD1-CB 3.7Å; F153-D579 HydrophobicContact CE1-CB 3.85Å; F153-D579 HydrophobicContact CG-CB 4.38Å; F153-I580 HydrophobicContact CE1-CG1 3.98Å; F153-I580 HydrophobicContact CZ-CG1 3.69Å; F153-L583 HydrophobicContact CD1-CD2 3.83Å; F153-L583 HydrophobicContact CD1-CG 4.44Å; F153-L583 HydrophobicContact CE1-CD1 3.84Å; F153-L583 HydrophobicContact CE1-CD2 3.75Å; F153-L583 HydrophobicContact CE1-CG 3.9Å; F153-L583 HydrophobicContact CZ-CD1 4.36Å
154R92.3Very high89.7Confident55 Ų5541.6 Ų41.621%0.20824%0.235CC..Hα-helixtrans-64.7-43.3178.1-172.4175.8-176.6174.21.8112.1G151 I156 S158 L583 K585 P586G151-R154 PolarHBondContact O-N 2.93Å; R154-I156 PolarHBondContact O-N 3.2Å; R154-S158 WeakPolarHBondContact O-CA 3.27Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 3.11Å; R154-L583 HydrophobicContact CB-CD2 4.44Å; R154-L583 HydrophobicContact CG-CD2 4.48Å; R154-K585 PolarHBondContact NH2-O 2.87Å; R154-P586 PolarHBondContact NH2-O 3.01Å
155S92.3Very high89.4Confident26 Ų2643.6 Ų43.618%0.18224%0.244CC..Hα-helixtrans-61.8-31.7-179.9-64.10000113.1G151 A152 K165 T168G151-S155 PolarHBondContact O-N 2.9Å; G151-S155 PolarHBondContact O-OG 3.4Å; A152-S155 PolarHBondContact O-N 3.23Å; S155-K165 WeakPolarHBondContact O-CA 3.33Å; S155-K165 WeakPolarHBondContact O-CB 3.46Å; S155-K165 PolarHBondContact O-N 3.3Å; S155-T168 WeakPolarHBondContact CB-OG1 3.35Å
156I92.3Very high89.1Confident8 Ų847.2 Ų47.24%0.04127%0.266CS..Hα-helixtrans-88.6-44.3-177.7-65.9169.5000111.9A152 F153 R154 T168 L169 L172 N204 I540A152-I156 HydrophobicContact CB-CD1 4.34Å; A152-I156 VanDerWaalsContact O-CB 3.31Å; A152-I156 WeakPolarHBondContact O-CB 3.43Å; A152-I156 WeakPolarHBondContact O-CD1 3.43Å; A152-I156 WeakPolarHBondContact O-CG1 3.38Å; A152-I156 PolarHBondContact O-N 2.74Å; F153-I156 PolarHBondContact O-N 3.18Å; R154-I156 PolarHBondContact O-N 3.2Å; I156-T168 HydrophobicContact CD1-CG2 4.04Å; I156-T168 HydrophobicContact CG1-CG2 4.07Å; I156-L169 HydrophobicContact CD1-CD2 3.83Å; I156-L169 HydrophobicContact CG1-CD2 4.24Å; I156-L172 HydrophobicContact CD1-CD1 3.87Å; I156-N204 HydrophobicContact CG2-CB 4.2Å; I156-I540 HydrophobicContact CD1-CG2 3.63Å; I156-I540 HydrophobicContact CG2-CG2 4.13Å
157Y91.2Very high88.9Confident8 Ų853.7 Ų53.73%0.03129%0.294CS..Hα-helixtrans-97.9-13.4-172.4-61.2-68.6000114.2F153 L202 R241 L446 I540F153-Y157 AromaticContact CD2-CD2 3.77Å; F153-Y157 HydrophobicContact CD2-CD2 3.77Å; F153-Y157 AromaticContact CD2-CE2 3.91Å; F153-Y157 HydrophobicContact CD2-CE2 3.91Å; F153-Y157 AromaticContact CE2-CD2 3.84Å; F153-Y157 HydrophobicContact CE2-CD2 3.84Å; F153-Y157 AromaticContact CE2-CE2 3.98Å; F153-Y157 HydrophobicContact CE2-CE2 3.98Å; F153-Y157 HydrophobicContact CG-CD2 4.18Å; F153-Y157 HydrophobicContact CZ-CD2 4.3Å; F153-Y157 VanDerWaalsContact O-CD2 3.3Å; F153-Y157 WeakPolarHBondContact O-CD2 3.4Å; F153-Y157 PolarHBondContact O-N 2.71Å; Y157-L202 HydrophobicContact CD1-CD2 4.12Å; Y157-L202 HydrophobicContact CE1-CD2 3.96Å; Y157-R241 HydrophobicContact CE2-CB 4.49Å; Y157-R241 PolarHBondContact OH-N 2.9Å; Y157-R241 VanDerWaalsContact OH-N 3.13Å; Y157-L446 HydrophobicContact CD1-CD1 4.23Å; Y157-L446 HydrophobicContact CD1-CG 4.16Å; Y157-L446 HydrophobicContact CD2-CD1 4.35Å; Y157-L446 HydrophobicContact CD2-CG 4.49Å; Y157-L446 HydrophobicContact CE1-CG 4.28Å; Y157-L446 HydrophobicContact CG-CD1 3.99Å; Y157-L446 HydrophobicContact CG-CG 4.28Å; Y157-I540 HydrophobicContact CE2-CG2 4.38Å; Y157-I540 PolarHBondContact OH-O 2.82Å
158S90Very high88.8Confident8 Ų854.2 Ų54.26%0.05630%0.297CS..  trans-75.1130.8177.4-1740000111R154 H160 C161 L583R154-S158 WeakPolarHBondContact O-CA 3.27Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 3.11Å; S158-H160 PolarHBondContact O-N 3.38Å; S158-H160 VanDerWaalsContact O-N 3.12Å; S158-H160 PolarHBondContact OG-N 2.78Å; S158-C161 PolarHBondContact O-N 3.03Å; S158-L583 PolarHBondContact OG-O 2.84Å
159P83.3Confident88.9Confident69 Ų6951.8 Ų51.845%0.44828%0.284SS..THydrogen-bonded Turntrans-64.3-19.1177.325.3-33.7000112.9
160H80.8Confident89Confident121 Ų12153.8 Ų53.856%0.5629%0.292SS*.THydrogen-bonded Turntrans-87.7-5.3-176.8-54.9100.8000114.1S158S158-H160 PolarHBondContact O-N 3.38Å; S158-H160 VanDerWaalsContact O-N 3.12Å; S158-H160 PolarHBondContact OG-N 2.78Å
161C76.7Confident89.1Confident8 Ų853.5 Ų53.55%0.05429%0.289CS..  trans-116.633.1-167.4-72.30000114.6S158 Q163 D164 K165S158-C161 PolarHBondContact O-N 3.03Å; C161-Q163 PolarHBondContact O-N 3.38Å; C161-D164 HydrophobicContact CB-CB 4.3Å; C161-D164 PolarHBondContact O-N 3.03Å; C161-D164 VanDerWaalsContact O-N 3.08Å; C161-K165 PolarHBondContact O-N 2.91Å
162S72.8Confident89.3Confident89 Ų8951.6 Ų51.662%0.62227%0.269SS*.Hα-helixtrans-57-37.7-171.6-69.90000115.4
163Q76.8Confident89.5Confident177 Ų17751.6 Ų51.683%0.82727%0.269SS*.Hα-helixtrans-73.5-37.2176.9-71.6-173.2-9.200112.3C161 K165C161-Q163 PolarHBondContact O-N 3.38Å; Q163-K165 VanDerWaalsContact C-N 3.29Å; Q163-K165 PolarHBondContact O-N 3.16Å
164D86.2Confident89.5Confident87 Ų8752.5 Ų52.547%0.46528%0.277SS..Hα-helixtrans-67.9-32178.1-64.5-32.7000111.4C161 T168C161-D164 HydrophobicContact CB-CB 4.3Å; C161-D164 PolarHBondContact O-N 3.03Å; C161-D164 VanDerWaalsContact O-N 3.08Å; D164-T168 VanDerWaalsContact O-CB 3.25Å; D164-T168 WeakPolarHBondContact O-CB 3.42Å; D164-T168 PolarHBondContact O-N 2.86Å; D164-T168 PolarHBondContact O-OG1 3.13Å
165K90.1Very high89.7Confident43 Ų4350.6 Ų50.619%0.18727%0.27CS..Hα-helixtrans-53.4-55.3175.3174.3175.2152.7169.10112.1S155 C161 Q163 K167 T168 L169 N204S155-K165 WeakPolarHBondContact O-CA 3.33Å; S155-K165 WeakPolarHBondContact O-CB 3.46Å; S155-K165 PolarHBondContact O-N 3.3Å; C161-K165 PolarHBondContact O-N 2.91Å; Q163-K165 VanDerWaalsContact C-N 3.29Å; Q163-K165 PolarHBondContact O-N 3.16Å; K165-K167 PolarHBondContact O-N 3.31Å; K165-T168 WeakPolarHBondContact O-CB 3.38Å; K165-T168 PolarHBondContact O-N 2.93Å; K165-L169 HydrophobicContact CG-CD1 4.07Å; K165-L169 HydrophobicContact CG-CG 4.47Å; K165-L169 WeakPolarHBondContact O-CG 3.01Å; K165-L169 PolarHBondContact O-N 3.48Å; K165-N204 WeakPolarHBondContact CE-OD1 3.34Å; K165-N204 PolarHBondContact NZ-OD1 3.17Å
166V91.2Very high90Very high75 Ų7549.3 Ų49.346%0.45526%0.261SS..Hα-helixtrans-60.1-48.7-175.2178.80000110.7T168 L169 E170V166-T168 VanDerWaalsContact C-N 3.3Å; V166-T168 PolarHBondContact O-N 2.91Å; V166-L169 PolarHBondContact O-N 3.03Å; V166-E170 WeakPolarHBondContact O-CG 3.33Å; V166-E170 PolarHBondContact O-N 3.2Å
167K93.1Very high90.1Very high142 Ų14249.4 Ų49.462%0.61726%0.262SS*.Hα-helixtrans-62-38.2178.3-173.5179.4179.2-178.30112.3K165 E170 T171K165-K167 PolarHBondContact O-N 3.31Å; K167-E170 PolarHBondContact O-N 3.43Å; K167-T171 WeakPolarHBondContact O-CB 3.09Å; K167-T171 PolarHBondContact O-N 2.91Å; K167-T171 PolarHBondContact O-OG1 3.31Å
168T94.9Very high90.3Very high15 Ų1549.1 Ų49.19%0.09226%0.261CS..Hα-helixtrans-65.2-46.6176.6-59.50000110.7A152 S155 I156 D164 K165 V166 E170 T171 L172A152-T168 HydrophobicContact CB-CG2 3.61Å; S155-T168 WeakPolarHBondContact CB-OG1 3.35Å; I156-T168 HydrophobicContact CD1-CG2 4.04Å; I156-T168 HydrophobicContact CG1-CG2 4.07Å; D164-T168 VanDerWaalsContact O-CB 3.25Å; D164-T168 WeakPolarHBondContact O-CB 3.42Å; D164-T168 PolarHBondContact O-N 2.86Å; D164-T168 PolarHBondContact O-OG1 3.13Å; K165-T168 WeakPolarHBondContact O-CB 3.38Å; K165-T168 PolarHBondContact O-N 2.93Å; V166-T168 VanDerWaalsContact C-N 3.3Å; V166-T168 PolarHBondContact O-N 2.91Å; T168-E170 VanDerWaalsContact C-N 3.35Å; T168-E170 PolarHBondContact O-N 3.21Å; T168-T171 WeakPolarHBondContact O-CB 3.1Å; T168-T171 PolarHBondContact O-N 2.99Å; T168-T171 VanDerWaalsContact O-N 3.16Å; T168-L172 HydrophobicContact CG2-CD1 4.34Å; T168-L172 HydrophobicContact CG2-CG 4.48Å; T168-L172 WeakPolarHBondContact O-CG 3.22Å; T168-L172 PolarHBondContact O-N 2.77Å
169L95.9Very high90.6Very high1 Ų148.7 Ų48.71%0.00526%0.258CS..Hα-helixtrans-61.9-40.6176.6-68176.3000112.1I156 K165 V166 T171 L172 A173 Q207 L208 L211I156-L169 HydrophobicContact CD1-CD2 3.83Å; I156-L169 HydrophobicContact CG1-CD2 4.24Å; K165-L169 HydrophobicContact CG-CD1 4.07Å; K165-L169 HydrophobicContact CG-CG 4.47Å; K165-L169 WeakPolarHBondContact O-CG 3.01Å; K165-L169 PolarHBondContact O-N 3.48Å; V166-L169 PolarHBondContact O-N 3.03Å; L169-T171 VanDerWaalsContact C-N 3.3Å; L169-T171 PolarHBondContact O-N 2.76Å; L169-L172 PolarHBondContact O-N 2.91Å; L169-A173 VanDerWaalsContact O-CB 3.3Å; L169-A173 WeakPolarHBondContact O-CB 3.45Å; L169-A173 PolarHBondContact O-N 3.23Å; L169-Q207 HydrophobicContact CD1-CB 4.27Å; L169-L208 HydrophobicContact CD2-CB 4.3Å; L169-L208 HydrophobicContact CD2-CD1 4.42Å; L169-L208 WeakPolarHBondContact O-CD1 3.34Å; L169-L211 HydrophobicContact CB-CD1 3.99Å
170E95.2Very high91.2Very high88 Ų8845.4 Ų45.441%0.41124%0.237SC..Hα-helixtrans-63.1-36.9174.6-73.9-179.7167.200112.9V166 K167 T168 A174 L211 K215V166-E170 WeakPolarHBondContact O-CG 3.33Å; V166-E170 PolarHBondContact O-N 3.2Å; K167-E170 PolarHBondContact O-N 3.43Å; T168-E170 VanDerWaalsContact C-N 3.35Å; T168-E170 PolarHBondContact O-N 3.21Å; E170-A174 PolarHBondContact O-N 2.99Å; E170-A174 VanDerWaalsContact O-N 3.13Å; E170-L211 HydrophobicContact CG-CD1 4.09Å; E170-L211 HydrophobicContact CG-CD2 4.26Å; E170-K215 PolarHBondContact O-NZ 3.12Å
171T94.8Very high91.7Very high62 Ų6239.8 Ų39.838%0.3821%0.212SC..Hα-helixtrans-67.2-51.8176.5-56.10000110K167 T168 L169 A173 A174 Q175K167-T171 WeakPolarHBondContact O-CB 3.09Å; K167-T171 PolarHBondContact O-N 2.91Å; K167-T171 PolarHBondContact O-OG1 3.31Å; T168-T171 WeakPolarHBondContact O-CB 3.1Å; T168-T171 PolarHBondContact O-N 2.99Å; T168-T171 VanDerWaalsContact O-N 3.16Å; L169-T171 VanDerWaalsContact C-N 3.3Å; L169-T171 PolarHBondContact O-N 2.76Å; T171-A173 VanDerWaalsContact C-N 3.27Å; T171-A173 PolarHBondContact O-N 3.07Å; T171-A174 WeakPolarHBondContact O-CB 3.43Å; T171-A174 PolarHBondContact O-N 3.01Å; T171-A174 VanDerWaalsContact O-N 3.09Å; T171-Q175 WeakPolarHBondContact O-CG 3.41Å; T171-Q175 PolarHBondContact O-N 3.49Å
172L97.3Very high92.4Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-57.6-41.2176.1-66.2179000111.4C147 A152 I156 T168 L169 A174 Q175 I176 L208 F538C147-L172 HydrophobicContact CB-CD2 3.71Å; A152-L172 HydrophobicContact CB-CD1 4.41Å; I156-L172 HydrophobicContact CD1-CD1 3.87Å; T168-L172 HydrophobicContact CG2-CD1 4.34Å; T168-L172 HydrophobicContact CG2-CG 4.48Å; T168-L172 WeakPolarHBondContact O-CG 3.22Å; T168-L172 PolarHBondContact O-N 2.77Å; L169-L172 PolarHBondContact O-N 2.91Å; L172-A174 VanDerWaalsContact C-N 3.35Å; L172-A174 PolarHBondContact O-N 3.11Å; L172-Q175 PolarHBondContact O-N 3.32Å; L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.28Å; L172-I176 PolarHBondContact O-N 2.92Å; L172-L208 HydrophobicContact CB-CD1 4.19Å; L172-F538 HydrophobicContact CB-CZ 4.45Å; L172-F538 HydrophobicContact CD1-CE1 4.38Å; L172-F538 HydrophobicContact CD1-CZ 4.26Å; L172-F538 HydrophobicContact CD2-CZ 4.23Å
173A97.5Very high93.3Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-60.1-42.5176.600000112.4L169 T171 V177 L208 L211 V212 K215L169-A173 VanDerWaalsContact O-CB 3.3Å; L169-A173 WeakPolarHBondContact O-CB 3.45Å; L169-A173 PolarHBondContact O-N 3.23Å; T171-A173 VanDerWaalsContact C-N 3.27Å; T171-A173 PolarHBondContact O-N 3.07Å; A173-V177 WeakPolarHBondContact O-CG2 3.29Å; A173-V177 PolarHBondContact O-N 2.91Å; A173-L208 HydrophobicContact CB-CD1 3.91Å; A173-L211 HydrophobicContact CB-CB 3.72Å; A173-V212 HydrophobicContact CB-CG2 3.81Å; A173-K215 HydrophobicContact CB-CD 4.07Å
174A95.3Very high93.9Very high20 Ų2032 Ų3217%0.16517%0.168CC..Hα-helixtrans-62.6-45175.200000111.3E170 T171 L172 I176 V177 T178 K215E170-A174 PolarHBondContact O-N 2.99Å; E170-A174 VanDerWaalsContact O-N 3.13Å; T171-A174 WeakPolarHBondContact O-CB 3.43Å; T171-A174 PolarHBondContact O-N 3.01Å; T171-A174 VanDerWaalsContact O-N 3.09Å; L172-A174 VanDerWaalsContact C-N 3.35Å; L172-A174 PolarHBondContact O-N 3.11Å; A174-I176 PolarHBondContact O-N 2.82Å; A174-V177 WeakPolarHBondContact O-CB 3.42Å; A174-V177 PolarHBondContact O-N 3.17Å; A174-V177 VanDerWaalsContact O-N 3.14Å; A174-T178 WeakPolarHBondContact O-CG2 3.33Å; A174-T178 PolarHBondContact O-N 3.02Å; A174-K215 HydrophobicContact CB-CD 4.38Å
175Q96.4Very high94.1Very high15 Ų1528.9 Ų28.97%0.0715%0.151CC..Hα-helixtrans-63.4-42.2179.7-62.1179-76.600112.1S136 C147 T171 L172 V177 T178 L179S136-Q175 WeakPolarHBondContact O-CB 3.4Å; S136-Q175 WeakPolarHBondContact O-CG 3.46Å; S136-Q175 PolarHBondContact O-NE2 3.02Å; C147-Q175 VanDerWaalsContact CB-OE1 3.32Å; C147-Q175 PolarHBondContact O-NE2 3.05Å; T171-Q175 WeakPolarHBondContact O-CG 3.41Å; T171-Q175 PolarHBondContact O-N 3.49Å; L172-Q175 PolarHBondContact O-N 3.32Å; Q175-V177 VanDerWaalsContact C-N 3.3Å; Q175-V177 PolarHBondContact O-N 3.29Å; Q175-T178 PolarHBondContact O-N 3.3Å; Q175-T178 PolarHBondContact O-OG1 3.2Å; Q175-L179 PolarHBondContact O-N 2.8Å; Q175-L179 VanDerWaalsContact O-N 3.09Å
176I97.6Very high94.2Very high0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-61.8-39.3174.5-65.5163.3000111L172 A174 L179 C180 L208 V212 L236 F538L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.28Å; L172-I176 PolarHBondContact O-N 2.92Å; A174-I176 PolarHBondContact O-N 2.82Å; I176-L179 WeakPolarHBondContact O-CB 3.17Å; I176-L179 PolarHBondContact O-N 3.36Å; I176-C180 PolarHBondContact O-N 2.99Å; I176-C180 PolarHBondContact O-SG 2.98Å; I176-L208 HydrophobicContact CD1-CD1 4.37Å; I176-L208 HydrophobicContact CD1-CD2 4.1Å; I176-L208 HydrophobicContact CD1-CG 4.4Å; I176-V212 HydrophobicContact CB-CG2 4.2Å; I176-V212 HydrophobicContact CD1-CG2 4Å; I176-V212 HydrophobicContact CG2-CG1 4.07Å; I176-V212 HydrophobicContact CG2-CG2 4.17Å; I176-L236 HydrophobicContact CG2-CD1 4.4Å; I176-L236 HydrophobicContact CG2-CD2 3.74Å; I176-F538 HydrophobicContact CD1-CB 4.31Å; I176-F538 HydrophobicContact CD1-CD1 3.74Å; I176-F538 HydrophobicContact CD1-CD2 3.75Å; I176-F538 HydrophobicContact CD1-CE1 3.92Å; I176-F538 HydrophobicContact CD1-CE2 3.93Å; I176-F538 HydrophobicContact CD1-CG 3.64Å; I176-F538 HydrophobicContact CD1-CZ 4.01Å; I176-F538 HydrophobicContact CG1-CD2 3.79Å; I176-F538 HydrophobicContact CG1-CE2 3.93Å; I176-F538 HydrophobicContact CG1-CG 4.16Å; I176-F538 HydrophobicContact CG1-CZ 4.43Å
177V96.1Very high94.3Very high10 Ų1023.8 Ų23.86%0.06112%0.123CC..Hα-helixtrans-63.5-41.7175.61720000110.9A173 A174 Q175 L179 C180 A181 V212 K215 L216 H219A173-V177 WeakPolarHBondContact O-CG2 3.29Å; A173-V177 PolarHBondContact O-N 2.91Å; A174-V177 WeakPolarHBondContact O-CB 3.42Å; A174-V177 PolarHBondContact O-N 3.17Å; A174-V177 VanDerWaalsContact O-N 3.14Å; Q175-V177 VanDerWaalsContact C-N 3.3Å; Q175-V177 PolarHBondContact O-N 3.29Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 3.34Å; V177-C180 WeakPolarHBondContact O-CB 3.4Å; V177-C180 PolarHBondContact O-N 3.11Å; V177-C180 VanDerWaalsContact O-N 3.14Å; V177-A181 WeakPolarHBondContact O-CB 3.39Å; V177-A181 PolarHBondContact O-N 3.44Å; V177-V212 HydrophobicContact CG2-CG1 4.44Å; V177-K215 HydrophobicContact CG2-CB 3.53Å; V177-L216 HydrophobicContact CB-CD2 4.44Å; V177-L216 HydrophobicContact CG1-CD2 4.2Å; V177-L216 HydrophobicContact CG2-CD2 4.17Å; V177-L216 HydrophobicContact CG2-CG 4Å; V177-H219 HydrophobicContact CG1-CB 4.05Å
178T95.3Very high94.4Very high1 Ų117.1 Ų17.11%0.0069%0.094CC..Hα-helixtrans-62.2-34.5175.665.90000113N134 S136 A174 Q175 T182N134-T178 HydrophobicContact CB-CG2 4.35Å; N134-T178 WeakPolarHBondContact O-CB 3.38Å; S136-T178 PolarHBondContact N-OG1 2.9Å; A174-T178 WeakPolarHBondContact O-CG2 3.33Å; A174-T178 PolarHBondContact O-N 3.02Å; Q175-T178 PolarHBondContact O-N 3.3Å; Q175-T178 PolarHBondContact O-OG1 3.2Å; T178-T182 VanDerWaalsContact O-CB 3.29Å; T178-T182 WeakPolarHBondContact O-CB 3.29Å; T178-T182 PolarHBondContact O-N 3.25Å; T178-T182 PolarHBondContact O-OG1 3.25Å
179L96.3Very high94.5Very high0 Ų016.4 Ų16.40%09%0.09CC..Hα-helixtrans-62.5-49.8171174.871.9000111.1L9 F137 F145 Q175 I176 V177 A181 T182 L183 I536L9-L179 HydrophobicContact CD1-CD1 3.8Å; L9-L179 HydrophobicContact CD2-CD1 4.28Å; F137-L179 HydrophobicContact CD1-CB 3.85Å; F137-L179 HydrophobicContact CD1-CD1 4.26Å; F137-L179 HydrophobicContact CD2-CD1 4.09Å; F137-L179 VanDerWaalsContact CE1-CA 3.44Å; F137-L179 HydrophobicContact CE1-CB 3.94Å; F137-L179 HydrophobicContact CE1-CD1 3.86Å; F137-L179 HydrophobicContact CE2-CD1 3.66Å; F137-L179 HydrophobicContact CG-CB 4.36Å; F137-L179 HydrophobicContact CG-CD1 4.37Å; F137-L179 HydrophobicContact CZ-CB 4.49Å; F137-L179 HydrophobicContact CZ-CD1 3.53Å; F145-L179 HydrophobicContact CD1-CD2 3.57Å; F145-L179 HydrophobicContact CD2-CD2 3.91Å; F145-L179 HydrophobicContact CE1-CD2 3.29Å; F145-L179 HydrophobicContact CE2-CD2 3.67Å; F145-L179 HydrophobicContact CG-CD1 4.41Å; F145-L179 HydrophobicContact CG-CD2 3.86Å; F145-L179 HydrophobicContact CZ-CD2 3.34Å; Q175-L179 PolarHBondContact O-N 2.8Å; Q175-L179 VanDerWaalsContact O-N 3.09Å; I176-L179 WeakPolarHBondContact O-CB 3.17Å; I176-L179 PolarHBondContact O-N 3.36Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 3.34Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.34Å; L179-T182 PolarHBondContact O-N 3.13Å; L179-T182 VanDerWaalsContact O-N 3.15Å; L179-L183 HydrophobicContact CD1-CD1 3.92Å; L179-L183 HydrophobicContact CD1-CG 4.2Å; L179-L183 HydrophobicContact CG-CD1 3.93Å; L179-L183 HydrophobicContact CG-CG 4.49Å; L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 WeakPolarHBondContact O-CG 3.31Å; L179-L183 PolarHBondContact O-N 3.11Å; L179-I536 HydrophobicContact CD2-CG2 4Å
180C94.6Very high94.6Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-59.3-43.7178.9-61.70000111.1I176 V177 T182 L183 D184 E185 L216 Y220I176-C180 PolarHBondContact O-N 2.99Å; I176-C180 PolarHBondContact O-SG 2.98Å; V177-C180 WeakPolarHBondContact O-CB 3.4Å; V177-C180 PolarHBondContact O-N 3.11Å; V177-C180 VanDerWaalsContact O-N 3.14Å; C180-T182 PolarHBondContact O-N 3.22Å; C180-L183 PolarHBondContact O-N 3.5Å; C180-D184 PolarHBondContact O-N 3.06Å; C180-E185 CarbonylContact C-O 3.58Å; C180-E185 WeakPolarHBondContact CB-O 3.26Å; C180-E185 PolarHBondContact O-N 3.05Å; C180-L216 HydrophobicContact CB-CD2 3.64Å; C180-Y220 PolarHBondContact O-OH 2.95Å
181A91.9Very high94.6Very high3 Ų314 Ų143%0.0258%0.077CC..Hα-helixtrans-64-37.9175.900000112.7R16 V177 L179 D184 H219R16-A181 PolarHBondContact NH1-O 3.14Å; V177-A181 WeakPolarHBondContact O-CB 3.39Å; V177-A181 PolarHBondContact O-N 3.44Å; L179-A181 VanDerWaalsContact C-N 3.31Å; L179-A181 PolarHBondContact O-N 3.34Å; A181-D184 PolarHBondContact O-N 3.4Å; A181-H219 VanDerWaalsContact CB-CE1 3.42Å; A181-H219 WeakPolarHBondContact CB-CE1 3.4Å
182T92.3Very high94.5Very high8 Ų811.9 Ų11.95%0.0496%0.063CC..Hα-helixtrans-68.2-38.8177.7-62.60000112V12 V13 N134 F137 T178 L179 C180 D184V12-T182 HydrophobicContact CG1-CG2 3.99Å; V13-T182 HydrophobicContact CG2-CG2 4.17Å; N134-T182 PolarHBondContact O-OG1 3.14Å; F137-T182 HydrophobicContact CE1-CG2 4.3Å; F137-T182 HydrophobicContact CZ-CG2 4.05Å; T178-T182 VanDerWaalsContact O-CB 3.29Å; T178-T182 WeakPolarHBondContact O-CB 3.29Å; T178-T182 PolarHBondContact O-N 3.25Å; T178-T182 PolarHBondContact O-OG1 3.25Å; L179-T182 PolarHBondContact O-N 3.13Å; L179-T182 VanDerWaalsContact O-N 3.15Å; C180-T182 PolarHBondContact O-N 3.22Å; T182-D184 PolarHBondContact O-N 2.91Å
183L91Very high94.1Very high10 Ų1017.8 Ų17.85%0.0529%0.089CC..Hα-helixtrans-76.7-8.8175.4-69.5177.4000113.2L9 L179 C180 E185 R534 I536 I564L9-L183 HydrophobicContact CD1-CD2 3.83Å; L9-L183 HydrophobicContact CD1-CG 4.46Å; L179-L183 HydrophobicContact CD1-CD1 3.92Å; L179-L183 HydrophobicContact CD1-CG 4.2Å; L179-L183 HydrophobicContact CG-CD1 3.93Å; L179-L183 HydrophobicContact CG-CG 4.49Å; L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 WeakPolarHBondContact O-CG 3.31Å; L179-L183 PolarHBondContact O-N 3.11Å; C180-L183 PolarHBondContact O-N 3.5Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 HydrophobicContact CB-CB 4.38Å; L183-E185 HydrophobicContact CB-CG 3.97Å; L183-R534 PolarHBondContact O-NH1 3.12Å; L183-I536 HydrophobicContact CD1-CD1 4.05Å; L183-I564 HydrophobicContact CD1-CD1 3.61Å; L183-I564 HydrophobicContact CD2-CD1 4.02Å; L183-I564 HydrophobicContact CG-CD1 4.49Å
184D89Confident93Very high92 Ų9219.9 Ų19.949%0.49210%0.098SC..THydrogen-bonded Turntrans58.144.4-172.8-163.831.8000112C180 A181 T182 K229C180-D184 PolarHBondContact O-N 3.06Å; A181-D184 PolarHBondContact O-N 3.4Å; T182-D184 PolarHBondContact O-N 2.91Å; D184-K229 WeakPolarHBondContact O-CE 3.11Å; D184-K229 PolarHBondContact O-NZ 3.01Å; D184-K229 IonicContact OD1-NZ 2.79Å; D184-K229 PolarHBondContact OD1-NZ 2.98Å; D184-K229 IonicContact OD2-NZ 3.96Å; D184-K229 PolarHBondContact OD2-NZ 2.73Å
185E89.7Confident91.5Very high22 Ų2222.7 Ų22.710%0.10311%0.114CC..  trans-121.1138-177.7-67.9-67.2178.900112.2C180 L183 P187 Y220 T232 A234 R534C180-E185 CarbonylContact C-O 3.58Å; C180-E185 WeakPolarHBondContact CB-O 3.26Å; C180-E185 PolarHBondContact O-N 3.05Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 HydrophobicContact CB-CB 4.38Å; L183-E185 HydrophobicContact CB-CG 3.97Å; E185-P187 WeakPolarHBondContact O-CD 3.48Å; E185-Y220 VanDerWaalsContact C-OH 3.23Å; E185-Y220 PolarHBondContact N-OH 2.7Å; E185-Y220 PolarHBondContact O-OH 2.94Å; E185-T232 WeakPolarHBondContact OE2-CB 3.34Å; E185-T232 PolarHBondContact OE2-OG1 3.42Å; E185-A234 HydrophobicContact CB-CB 4.23Å; E185-A234 HydrophobicContact CG-CB 4.24Å; E185-A234 WeakPolarHBondContact OE2-CB 3.35Å; E185-R534 IonicContact OE1-NH1 3.63Å
186N92.3Very high89.8Confident11 Ų1127.1 Ų27.16%0.05914%0.141CC..  trans-11779.3171-173.41.8000109.1Y220 K229 K231 T232N186-Y220 HydrophobicContact CB-CD2 3.86Å; N186-Y220 HydrophobicContact CB-CE2 3.6Å; N186-K229 PolarHBondContact ND2-O 3.22Å; N186-K231 CarbonylContact O-C 3.58Å; N186-K231 VanDerWaalsContact O-CA 3.25Å; N186-K231 WeakPolarHBondContact O-CA 3.47Å; N186-K231 WeakPolarHBondContact O-CD 3.16Å; N186-K231 PolarHBondContact OD1-NZ 3.37Å; N186-T232 HydrophobicContact CB-CG2 4.31Å; N186-T232 PolarHBondContact N-OG1 3.37Å; N186-T232 VanDerWaalsContact N-OG1 3.12Å; N186-T232 PolarHBondContact O-N 3.01Å; N186-T232 PolarHBondContact O-OG1 3.32Å
187P94.4Very high87.7Confident0 Ų028.8 Ų28.80%015%0.15CC..PPolyproline II helixtrans-73.6155.6-168.329.3-35.8000113.4E185 L216 K231 A234 L236E185-P187 WeakPolarHBondContact O-CD 3.48Å; P187-L216 HydrophobicContact CG-CD1 4.18Å; P187-K231 WeakPolarHBondContact O-CD 3.36Å; P187-K231 PolarHBondContact O-NZ 3.25Å; P187-A234 CarbonylContact C-O 3.58Å; P187-A234 WeakPolarHBondContact CA-O 3.45Å; P187-A234 HydrophobicContact CB-CB 3.93Å; P187-A234 WeakPolarHBondContact CB-O 3.33Å; P187-L236 HydrophobicContact CB-CB 3.98Å; P187-L236 HydrophobicContact CG-CB 3.9Å
188G94.9Very high85.4Confident1 Ų133.2 Ų33.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-74126.9161.800000109.9A234 L236 S503G188-A234 PolarHBondContact N-O 3.16Å; G188-L236 PolarHBondContact O-N 3.34Å; G188-S503 CarbonylContact C-O 3.51Å; G188-S503 WeakPolarHBondContact CA-O 3.45Å
189V97.4Very high83.2Confident0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-94127.4-174.2-173.90000110A209 V212 D213 L216 L236 I238 Q502 S503V189-A209 HydrophobicContact CG1-CB 3.75Å; V189-V212 HydrophobicContact CG2-CG1 4.33Å; V189-D213 HydrophobicContact CB-CB 4.48Å; V189-D213 HydrophobicContact CG2-CB 4.12Å; V189-L216 HydrophobicContact CG2-CD1 3.99Å; V189-L236 HydrophobicContact CG1-CD2 4.39Å; V189-L236 HydrophobicContact CG2-CD2 4.27Å; V189-I238 HydrophobicContact CG1-CD1 4.03Å; V189-Q502 HydrophobicContact CB-CB 4.11Å; V189-Q502 HydrophobicContact CG1-CB 4.2Å; V189-Q502 WeakPolarHBondContact O-CB 3.26Å; V189-Q502 PolarHBondContact O-N 3.3Å; V189-S503 PolarHBondContact N-O 2.98Å; V189-S503 PolarHBondContact N-OG 2.78Å; V189-S503 VanDerWaalsContact N-OG 3.12Å; V189-S503 PolarHBondContact O-N 3.22Å; V189-S503 VanDerWaalsContact O-N 3.15Å
190R96.6Very high81.2Confident13 Ų1345.7 Ų45.75%0.04924%0.24CC..EExtended strand (participates in β ladder)trans-126.3156.3171.5-55.5177.573.1173.52.1109.6L236 L237 I238 L494 W499 P500R190-L236 PolarHBondContact N-O 2.91Å; R190-L237 HydrophobicContact CB-CD2 3.71Å; R190-L237 HydrophobicContact CG-CD2 4.23Å; R190-L237 WeakPolarHBondContact O-CA 3.43Å; R190-I238 PolarHBondContact O-N 2.82Å; R190-L494 PolarHBondContact NH2-O 3.01Å; R190-W499 PolarHBondContact NE-O 3.27Å; R190-W499 PolarHBondContact NH2-O 3.46Å; R190-P500 WeakPolarHBondContact CA-O 3.24Å
191Y95.9Very high79.5Confident26 Ų2650 Ų5010%0.10227%0.266CS..EExtended strand (participates in β ladder)trans-137.4152.2176.159.8-86000110.6K193 K206 A209 I238 W499 P500 Q502Y191-K193 PolarHBondContact O-N 3.2Å; Y191-K206 HydrophobicContact CD2-CB 3.86Å; Y191-K206 HydrophobicContact CD2-CG 4.42Å; Y191-K206 HydrophobicContact CE1-CG 4.17Å; Y191-K206 HydrophobicContact CE2-CB 3.63Å; Y191-K206 HydrophobicContact CE2-CD 4.15Å; Y191-K206 HydrophobicContact CE2-CG 3.79Å; Y191-K206 HydrophobicContact CG-CB 4.42Å; Y191-A209 HydrophobicContact CD1-CB 3.73Å; Y191-A209 HydrophobicContact CG-CB 4.17Å; Y191-I238 CarbonylContact C-O 3.58Å; Y191-I238 VanDerWaalsContact CA-O 3.26Å; Y191-I238 WeakPolarHBondContact CA-O 3.47Å; Y191-W499 WeakPolarHBondContact O-CA 3.46Å; Y191-P500 HydrophobicContact CD1-CG 4.39Å; Y191-P500 HydrophobicContact CD2-CG 4.09Å; Y191-P500 HydrophobicContact CE1-CB 4.41Å; Y191-P500 HydrophobicContact CE1-CG 3.85Å; Y191-P500 HydrophobicContact CE2-CG 3.5Å; Y191-P500 HydrophobicContact CG-CG 4.5Å; Y191-P500 PolarHBondContact N-O 3.17Å; Y191-P500 WeakPolarHBondContact O-CD 3.19Å; Y191-Q502 HydrophobicContact CD1-CB 4.39Å; Y191-Q502 HydrophobicContact CE1-CB 4.39Å
192K93Very high78.7Confident18 Ų1851 Ų518%0.07827%0.271CS..PPolyproline II helixtrans-70.6120.7168.6179.354.7175.2159.40108.5E194 I238 V239 F243 E498 W499K192-E194 PolarHBondContact O-N 3.17Å; K192-I238 PolarHBondContact N-O 3.12Å; K192-V239 HydrophobicContact CB-CG1 4.28Å; K192-F243 HydrophobicContact CD-CD2 4.24Å; K192-F243 HydrophobicContact CD-CE2 4.3Å; K192-F243 HydrophobicContact CG-CD2 3.97Å; K192-F243 HydrophobicContact CG-CE2 4.47Å; K192-E498 IonicContact NZ-OE2 3.88Å; K192-E498 PolarHBondContact NZ-OE2 3.24Å; K192-W499 HydrophobicContact CB-CD2 4.39Å; K192-W499 HydrophobicContact CB-CE3 3.99Å; K192-W499 HydrophobicContact CB-CH2 3.77Å; K192-W499 HydrophobicContact CB-CZ2 4.14Å; K192-W499 HydrophobicContact CB-CZ3 3.69Å; K192-W499 HydrophobicContact CD-CD2 4.2Å; K192-W499 HydrophobicContact CD-CH2 4.33Å; K192-W499 HydrophobicContact CD-CZ2 3.79Å; K192-W499 HydrophobicContact CG-CH2 4.34Å; K192-W499 HydrophobicContact CG-CZ2 4.27Å
193K87.9Confident78.4Confident124 Ų12453.1 Ų53.154%0.53928%0.282SS..PPolyproline II helixtrans-74.5121.2170.5-174.8178.3178-177.30108.7Y191 E498 P500Y191-K193 PolarHBondContact O-N 3.2Å; K193-E498 WeakPolarHBondContact CB-O 3.5Å; K193-E498 PolarHBondContact N-O 3.06Å; K193-P500 HydrophobicContact CB-CG 4.21Å
194E75.1Confident78.5Confident43 Ų4352.8 Ų52.820%0.20128%0.281CS..PPolyproline II helixtrans-73.5148.8177.6-162.949.1-101.300111.6K192 L202K192-E194 PolarHBondContact O-N 3.17Å; E194-L202 WeakPolarHBondContact CB-O 3.3Å; E194-L202 HydrophobicContact CG-CB 4.43Å
195T63.7Low78.7Confident80 Ų8048.4 Ų48.449%0.49126%0.258SS..PPolyproline II helixtrans-84.4127.1173.3-510000108.3L197T195-L197 PolarHBondContact O-N 3.12Å; T195-L197 VanDerWaalsContact O-N 3.11Å
196V60.1Low78.9Confident107 Ų10752.5 Ų52.565%0.64828%0.275SS*.PPolyproline II helixtrans-59.9117.5-176.7-178.10000110.1T201V196-T201 HydrophobicContact CG1-CG2 4.22Å; V196-T201 HydrophobicContact CG2-CG2 4.24Å
197L53.6Low79.1Confident35 Ų3555.1 Ų55.118%0.18329%0.287CS..BIsolated β-bridgetrans-107.9125.5169.7-71.3161.8000108.6T195 N199 T200 G447 F456T195-L197 PolarHBondContact O-N 3.12Å; T195-L197 VanDerWaalsContact O-N 3.11Å; L197-N199 PolarHBondContact O-N 3.41Å; L197-N199 VanDerWaalsContact O-N 3.14Å; L197-T200 PolarHBondContact O-N 2.88Å; L197-G447 WeakPolarHBondContact CD1-O 3.35Å; L197-F456 HydrophobicContact CD2-CD1 3.61Å; L197-F456 HydrophobicContact CD2-CE1 3.47Å; L197-F456 VanDerWaalsContact CD2-CE1 3.47Å
198E49.2Very low79.2Confident104 Ų10455.1 Ų55.149%0.48629%0.287SS..THydrogen-bonded Turntrans15.681169.6-67-176.1162.800116.1T200 S453 F456E198-T200 PolarHBondContact O-N 3.37Å; E198-S453 PolarHBondContact OE1-OG 3.29Å; E198-F456 HydrophobicContact CG-CE1 3.71Å; E198-F456 HydrophobicContact CG-CZ 3.9Å; E198-F456 WeakPolarHBondContact OE2-CZ 3.14Å
199N48.3Very low79.3Confident170 Ų17055 Ų5591%0.90929%0.286SS*.THydrogen-bonded Turntrans60.22.8171.5-57.9-31.8000117.3L197L197-N199 PolarHBondContact O-N 3.41Å; L197-N199 VanDerWaalsContact O-N 3.14Å
200T53.9Low79.3Confident92 Ų9257 Ų5756%0.56430%0.302SS*.BIsolated β-bridgetrans-118.292.3174.1-53.30000108.9L197 E198 L202L197-T200 PolarHBondContact O-N 2.88Å; E198-T200 PolarHBondContact O-N 3.37Å; T200-L202 HydrophobicContact CG2-CD1 4.01Å; T200-L202 PolarHBondContact O-N 2.95Å
201T60.2Low79.4Confident90 Ų9058.4 Ų58.455%0.55231%0.31SS*.  trans-78.1103.6170.344.10000109.3V196 D203V196-T201 HydrophobicContact CG1-CG2 4.22Å; V196-T201 HydrophobicContact CG2-CG2 4.24Å; T201-D203 PolarHBondContact O-N 2.9Å; T201-D203 VanDerWaalsContact O-N 3.13Å
202L74.3Confident79.5Confident24 Ų2457.1 Ų57.113%0.12631%0.305CS..  trans-67.4104.3158.8-98.269.1000107.4Y157 E194 T200 E240 E445 L446Y157-L202 HydrophobicContact CD1-CD2 4.12Å; Y157-L202 HydrophobicContact CE1-CD2 3.96Å; E194-L202 WeakPolarHBondContact CB-O 3.3Å; E194-L202 HydrophobicContact CG-CB 4.43Å; T200-L202 HydrophobicContact CG2-CD1 4.01Å; T200-L202 PolarHBondContact O-N 2.95Å; L202-E240 WeakPolarHBondContact CD2-OE2 3.46Å; L202-E445 WeakPolarHBondContact CD2-O 3.34Å; L202-L446 VanDerWaalsContact CD2-C 3.49Å
203D85.9Confident79.6Confident53 Ų5357.4 Ų57.428%0.28331%0.308SS..  trans-116.822.117771.4-26.7000111.5T201 A205 K206 Q207T201-D203 PolarHBondContact O-N 2.9Å; T201-D203 VanDerWaalsContact O-N 3.13Å; D203-A205 VanDerWaalsContact C-N 3.31Å; D203-A205 PolarHBondContact O-N 3.44Å; D203-K206 PolarHBondContact O-N 2.92Å; D203-K206 VanDerWaalsContact O-N 3.12Å; D203-Q207 WeakPolarHBondContact O-CG 3.46Å; D203-Q207 PolarHBondContact O-N 3.31Å; D203-Q207 PolarHBondContact OD1-NE2 3.48Å; D203-Q207 PolarHBondContact OD2-NE2 2.9Å
204N92.1Very high80Confident3 Ų358.8 Ų58.82%0.01631%0.311CS..Hα-helixtrans-59.2-43.1-176.9-51.5-57.1000110.9I156 K165 K206 Q207 L208 E240 I540I156-N204 HydrophobicContact CG2-CB 4.2Å; K165-N204 WeakPolarHBondContact CE-OD1 3.34Å; K165-N204 PolarHBondContact NZ-OD1 3.17Å; N204-K206 VanDerWaalsContact C-N 3.33Å; N204-K206 PolarHBondContact O-N 3.02Å; N204-Q207 PolarHBondContact O-N 3.04Å; N204-L208 VanDerWaalsContact O-CB 3.28Å; N204-L208 WeakPolarHBondContact O-CB 3.5Å; N204-L208 PolarHBondContact O-N 3.44Å; N204-E240 VanDerWaalsContact CA-OE1 3.3Å; N204-E240 WeakPolarHBondContact CA-OE1 3.39Å; N204-E240 WeakPolarHBondContact CB-OE1 3.3Å; N204-E240 PolarHBondContact N-OE1 3.44Å; N204-E240 PolarHBondContact ND2-OE2 2.67Å; N204-I540 HydrophobicContact CB-CD1 4.03Å
205A94.3Very high80.9Confident1 Ų159.6 Ų59.61%0.00831%0.313CS..Hα-helixtrans-61.6-40.3177.800000112.4D203 A209 I238 E240 I540D203-A205 VanDerWaalsContact C-N 3.31Å; D203-A205 PolarHBondContact O-N 3.44Å; A205-A209 VanDerWaalsContact O-CB 3.24Å; A205-A209 WeakPolarHBondContact O-CB 3.34Å; A205-A209 PolarHBondContact O-N 3.39Å; A205-I238 HydrophobicContact CB-CG2 3.97Å; A205-E240 HydrophobicContact CB-CG 3.69Å; A205-E240 PolarHBondContact N-OE1 3.14Å; A205-I540 HydrophobicContact CB-CD1 4.38Å
206K94.7Very high82.4Confident107 Ų10755.8 Ų55.847%0.46529%0.29SS..Hα-helixtrans-68.4-45.8176.6-179.2-179.9176.5-169.30111.6Y191 D203 N204 A209 A210Y191-K206 HydrophobicContact CD2-CB 3.86Å; Y191-K206 HydrophobicContact CD2-CG 4.42Å; Y191-K206 HydrophobicContact CE1-CG 4.17Å; Y191-K206 HydrophobicContact CE2-CB 3.63Å; Y191-K206 HydrophobicContact CE2-CD 4.15Å; Y191-K206 HydrophobicContact CE2-CG 3.79Å; Y191-K206 HydrophobicContact CG-CB 4.42Å; D203-K206 PolarHBondContact O-N 2.92Å; D203-K206 VanDerWaalsContact O-N 3.12Å; N204-K206 VanDerWaalsContact C-N 3.33Å; N204-K206 PolarHBondContact O-N 3.02Å; K206-A209 PolarHBondContact O-N 3.39Å; K206-A210 PolarHBondContact O-N 2.89Å
207Q95Very high83.9Confident66 Ų6653.7 Ų53.731%0.30828%0.278SS..Hα-helixtrans-61-46.2177.5-69.7-174.918.800111L169 D203 N204 A209 A210 L211L169-Q207 HydrophobicContact CD1-CB 4.27Å; D203-Q207 WeakPolarHBondContact O-CG 3.46Å; D203-Q207 PolarHBondContact O-N 3.31Å; D203-Q207 PolarHBondContact OD1-NE2 3.48Å; D203-Q207 PolarHBondContact OD2-NE2 2.9Å; N204-Q207 PolarHBondContact O-N 3.04Å; Q207-A209 PolarHBondContact O-N 3.43Å; Q207-A210 PolarHBondContact O-N 2.87Å; Q207-L211 WeakPolarHBondContact O-CG 3.41Å; Q207-L211 PolarHBondContact O-N 3.35Å
208L97Very high85.6Confident0 Ų056.7 Ų56.70%029%0.289CS..Hα-helixtrans-62.7-42.8176.8-174.159.1000111.6L169 L172 A173 I176 N204 A210 L211 V212 I238 F538 I540L169-L208 HydrophobicContact CD2-CB 4.3Å; L169-L208 HydrophobicContact CD2-CD1 4.42Å; L169-L208 WeakPolarHBondContact O-CD1 3.34Å; L172-L208 HydrophobicContact CB-CD1 4.19Å; A173-L208 HydrophobicContact CB-CD1 3.91Å; I176-L208 HydrophobicContact CD1-CD1 4.37Å; I176-L208 HydrophobicContact CD1-CD2 4.1Å; I176-L208 HydrophobicContact CD1-CG 4.4Å; N204-L208 VanDerWaalsContact O-CB 3.28Å; N204-L208 WeakPolarHBondContact O-CB 3.5Å; N204-L208 PolarHBondContact O-N 3.44Å; L208-A210 PolarHBondContact O-N 2.8Å; L208-L211 PolarHBondContact O-N 3.37Å; L208-V212 HydrophobicContact CD1-CG2 4.2Å; L208-V212 HydrophobicContact CG-CG2 4.32Å; L208-V212 WeakPolarHBondContact O-CB 3.4Å; L208-V212 VanDerWaalsContact O-CG2 3.28Å; L208-V212 WeakPolarHBondContact O-CG2 3.44Å; L208-V212 PolarHBondContact O-N 3.02Å; L208-I238 HydrophobicContact CB-CG2 4.32Å; L208-I238 HydrophobicContact CD2-CG2 3.91Å; L208-I238 HydrophobicContact CG-CD1 4.21Å; L208-I238 HydrophobicContact CG-CG2 4.37Å; L208-F538 HydrophobicContact CD2-CD1 3.75Å; L208-F538 HydrophobicContact CD2-CE1 3.67Å; L208-I540 HydrophobicContact CB-CD1 4.28Å; L208-I540 HydrophobicContact CD2-CD1 3.71Å; L208-I540 HydrophobicContact CD2-CG1 3.75Å
209A97.4Very high87.5Confident0 Ų053.8 Ų53.80%028%0.276CS..Hα-helixtrans-59.4-44.7176.700000112.5V189 Y191 A205 K206 Q207 V212 D213 I238 Q502V189-A209 HydrophobicContact CG1-CB 3.75Å; Y191-A209 HydrophobicContact CD1-CB 3.73Å; Y191-A209 HydrophobicContact CG-CB 4.17Å; A205-A209 VanDerWaalsContact O-CB 3.24Å; A205-A209 WeakPolarHBondContact O-CB 3.34Å; A205-A209 PolarHBondContact O-N 3.39Å; K206-A209 PolarHBondContact O-N 3.39Å; Q207-A209 PolarHBondContact O-N 3.43Å; A209-V212 PolarHBondContact O-N 3.11Å; A209-D213 WeakPolarHBondContact O-CB 3.29Å; A209-D213 PolarHBondContact O-N 3.04Å; A209-I238 HydrophobicContact CB-CD1 3.85Å; A209-Q502 HydrophobicContact CB-CB 4.22Å; A209-Q502 HydrophobicContact CB-CG 4.42Å
210A97.4Very high89.3Confident40 Ų4046.1 Ų46.133%0.33123%0.234SC..Hα-helixtrans-63.1-43.1176.400000112.1K206 Q207 L208 D213 Y214K206-A210 PolarHBondContact O-N 2.89Å; Q207-A210 PolarHBondContact O-N 2.87Å; L208-A210 PolarHBondContact O-N 2.8Å; A210-D213 PolarHBondContact O-N 3.02Å; A210-Y214 WeakPolarHBondContact O-CB 3.47Å; A210-Y214 PolarHBondContact O-N 2.8Å
211L97.7Very high90.7Very high43 Ų4345.8 Ų45.823%0.22523%0.229CC..Hα-helixtrans-63.6-43.6176.9-71.8171.6000112.1L169 E170 A173 Q207 L208 K215L169-L211 HydrophobicContact CB-CD1 3.99Å; E170-L211 HydrophobicContact CG-CD1 4.09Å; E170-L211 HydrophobicContact CG-CD2 4.26Å; A173-L211 HydrophobicContact CB-CB 3.72Å; Q207-L211 WeakPolarHBondContact O-CG 3.41Å; Q207-L211 PolarHBondContact O-N 3.35Å; L208-L211 PolarHBondContact O-N 3.37Å; L211-K215 WeakPolarHBondContact O-CB 3.46Å; L211-K215 WeakPolarHBondContact O-CG 3.29Å; L211-K215 PolarHBondContact O-N 2.89Å
212V97.7Very high91.4Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-63.7-47.7177.8170.80000110.6A173 I176 V177 V189 L208 A209 Y214 K215 L216 L236 I238A173-V212 HydrophobicContact CB-CG2 3.81Å; I176-V212 HydrophobicContact CB-CG2 4.2Å; I176-V212 HydrophobicContact CD1-CG2 4Å; I176-V212 HydrophobicContact CG2-CG1 4.07Å; I176-V212 HydrophobicContact CG2-CG2 4.17Å; V177-V212 HydrophobicContact CG2-CG1 4.44Å; V189-V212 HydrophobicContact CG2-CG1 4.33Å; L208-V212 HydrophobicContact CD1-CG2 4.2Å; L208-V212 HydrophobicContact CG-CG2 4.32Å; L208-V212 WeakPolarHBondContact O-CB 3.4Å; L208-V212 VanDerWaalsContact O-CG2 3.28Å; L208-V212 WeakPolarHBondContact O-CG2 3.44Å; L208-V212 PolarHBondContact O-N 3.02Å; A209-V212 PolarHBondContact O-N 3.11Å; V212-Y214 PolarHBondContact O-N 3.22Å; V212-K215 PolarHBondContact O-N 3.01Å; V212-L216 HydrophobicContact CG1-CD1 3.7Å; V212-L216 HydrophobicContact CG1-CG 4.1Å; V212-L216 WeakPolarHBondContact O-CB 3.41Å; V212-L216 VanDerWaalsContact O-CG 3.3Å; V212-L216 WeakPolarHBondContact O-CG 3.33Å; V212-L216 PolarHBondContact O-N 3.11Å; V212-L236 HydrophobicContact CG1-CD2 3.6Å; V212-I238 HydrophobicContact CG2-CD1 4.34Å
213D96.4Very high91.1Very high23 Ų2349.8 Ų49.812%0.12324%0.244CC..Hα-helixtrans-63.9-40.6-178.9-169.960.7000112.5V189 A209 A210 T217 K231 Q502 S503V189-D213 HydrophobicContact CB-CB 4.48Å; V189-D213 HydrophobicContact CG2-CB 4.12Å; A209-D213 WeakPolarHBondContact O-CB 3.29Å; A209-D213 PolarHBondContact O-N 3.04Å; A210-D213 PolarHBondContact O-N 3.02Å; D213-T217 WeakPolarHBondContact O-CB 3.21Å; D213-T217 PolarHBondContact O-N 2.85Å; D213-T217 PolarHBondContact O-OG1 3.26Å; D213-K231 IonicContact OD1-NZ 2.76Å; D213-K231 PolarHBondContact OD1-NZ 3.47Å; D213-Q502 HydrophobicContact CB-CG 3.74Å; D213-S503 WeakPolarHBondContact OD1-CB 3.23Å; D213-S503 PolarHBondContact OD1-OG 3.34Å
214Y95.9Very high89.7Confident154 Ų15454.8 Ų54.860%0.60427%0.271SS*.Hα-helixtrans-60.2-47.8172.8172.2-106.8000112A210 V212 T217 K218A210-Y214 WeakPolarHBondContact O-CB 3.47Å; A210-Y214 PolarHBondContact O-N 2.8Å; V212-Y214 PolarHBondContact O-N 3.22Å; Y214-T217 PolarHBondContact O-N 3.07Å; Y214-K218 PolarHBondContact O-N 3.37Å
215K94.8Very high88.2Confident59 Ų5960.9 Ų60.926%0.25730%0.304SS..Hα-helixtrans-69.2-36.9-179.5-73.1-173.7-177.3-152.70112.8E170 A173 A174 V177 L211 V212 K218 H219E170-K215 PolarHBondContact O-NZ 3.12Å; A173-K215 HydrophobicContact CB-CD 4.07Å; A174-K215 HydrophobicContact CB-CD 4.38Å; V177-K215 HydrophobicContact CG2-CB 3.53Å; L211-K215 WeakPolarHBondContact O-CB 3.46Å; L211-K215 WeakPolarHBondContact O-CG 3.29Å; L211-K215 PolarHBondContact O-N 2.89Å; V212-K215 PolarHBondContact O-N 3.01Å; K215-K218 PolarHBondContact O-N 3.09Å; K215-H219 WeakPolarHBondContact O-CB 3.34Å; K215-H219 PolarHBondContact O-N 2.75Å
216L93.5Very high86Confident0 Ų066.5 Ų66.50%034%0.343CS..Hα-helixtrans-60.3-46.8172.9-77.6170.9000110.9V177 C180 P187 V189 V212 K218 H219 Y220V177-L216 HydrophobicContact CB-CD2 4.44Å; V177-L216 HydrophobicContact CG1-CD2 4.2Å; V177-L216 HydrophobicContact CG2-CD2 4.17Å; V177-L216 HydrophobicContact CG2-CG 4Å; C180-L216 HydrophobicContact CB-CD2 3.64Å; P187-L216 HydrophobicContact CG-CD1 4.18Å; V189-L216 HydrophobicContact CG2-CD1 3.99Å; V212-L216 HydrophobicContact CG1-CD1 3.7Å; V212-L216 HydrophobicContact CG1-CG 4.1Å; V212-L216 WeakPolarHBondContact O-CB 3.41Å; V212-L216 VanDerWaalsContact O-CG 3.3Å; V212-L216 WeakPolarHBondContact O-CG 3.33Å; V212-L216 PolarHBondContact O-N 3.11Å; L216-K218 PolarHBondContact O-N 3.04Å; L216-H219 PolarHBondContact O-N 3.18Å; L216-Y220 HydrophobicContact CD2-CE2 4.09Å; L216-Y220 WeakPolarHBondContact O-CD2 3.31Å; L216-Y220 PolarHBondContact O-N 2.83Å
217T91.7Very high84.2Confident63 Ų6370.1 Ų70.139%0.38736%0.359SS..Hα-helixtrans-58.5-49.2177.4-57.50000110.5D213 Y214 H219 Y220 D221D213-T217 WeakPolarHBondContact O-CB 3.21Å; D213-T217 PolarHBondContact O-N 2.85Å; D213-T217 PolarHBondContact O-OG1 3.26Å; Y214-T217 PolarHBondContact O-N 3.07Å; T217-H219 PolarHBondContact O-N 3.14Å; T217-Y220 PolarHBondContact O-N 3.19Å; T217-D221 VanDerWaalsContact O-CB 3.31Å; T217-D221 WeakPolarHBondContact O-CB 3.22Å; T217-D221 PolarHBondContact O-N 2.87Å
218K90.6Very high82.7Confident99 Ų9974.7 Ų74.743%0.4338%0.378SS..Hα-helixtrans-59.3-45.4177.4-172.1-177176.4-173.10112.6Y214 K215 L216 M222Y214-K218 PolarHBondContact O-N 3.37Å; K215-K218 PolarHBondContact O-N 3.09Å; L216-K218 PolarHBondContact O-N 3.04Å; K218-M222 HydrophobicContact CD-CE 4.07Å; K218-M222 HydrophobicContact CG-CE 3.63Å; K218-M222 HydrophobicContact CG-SD 3.97Å; K218-M222 WeakPolarHBondContact O-CB 3.33Å; K218-M222 VanDerWaalsContact O-CG 3.26Å; K218-M222 WeakPolarHBondContact O-CG 3.25Å; K218-M222 PolarHBondContact O-N 2.9Å
219H88.8Confident81.5Confident43 Ų4377.6 Ų77.620%0.19939%0.39CS..Hα-helixtrans-61.7-47.9-179178.9-84.3000111.6V177 A181 K215 L216 T217 M222 D223V177-H219 HydrophobicContact CG1-CB 4.05Å; A181-H219 VanDerWaalsContact CB-CE1 3.42Å; A181-H219 WeakPolarHBondContact CB-CE1 3.4Å; K215-H219 WeakPolarHBondContact O-CB 3.34Å; K215-H219 PolarHBondContact O-N 2.75Å; L216-H219 PolarHBondContact O-N 3.18Å; T217-H219 PolarHBondContact O-N 3.14Å; H219-M222 PolarHBondContact O-N 3.29Å; H219-D223 PolarHBondContact O-N 2.96Å
220Y86Confident80.7Confident8 Ų880 Ų803%0.03142%0.415CS..Hα-helixtrans-80.7-17.2-178.2-72.3-64.9000114.6C180 E185 N186 L216 T217 K229C180-Y220 PolarHBondContact O-OH 2.95Å; E185-Y220 VanDerWaalsContact C-OH 3.23Å; E185-Y220 PolarHBondContact N-OH 2.7Å; E185-Y220 PolarHBondContact O-OH 2.94Å; N186-Y220 HydrophobicContact CB-CD2 3.86Å; N186-Y220 HydrophobicContact CB-CE2 3.6Å; L216-Y220 HydrophobicContact CD2-CE2 4.09Å; L216-Y220 WeakPolarHBondContact O-CD2 3.31Å; L216-Y220 PolarHBondContact O-N 2.83Å; T217-Y220 PolarHBondContact O-N 3.19Å; Y220-K229 HydrophobicContact CD1-CB 4.02Å; Y220-K229 HydrophobicContact CE1-CB 4.49Å; Y220-K229 HydrophobicContact CE1-CD 4.17Å
221D83.9Confident80.3Confident85 Ų8580.8 Ų80.846%0.45541%0.411SS..Hα-helixtrans-76-27.7168.9-87.6-34.7000112.6T217 K228T217-D221 VanDerWaalsContact O-CB 3.31Å; T217-D221 WeakPolarHBondContact O-CB 3.22Å; T217-D221 PolarHBondContact O-N 2.87Å; D221-K228 IonicContact OD1-NZ 3.68Å; D221-K228 PolarHBondContact OD1-NZ 3.16Å
222M74.1Confident79.9Confident124 Ų12480 Ų8061%0.61141%0.408SS*.SBendtrans-88.1-9.8179.4-70.918017700114K218 H219 D224K218-M222 HydrophobicContact CD-CE 4.07Å; K218-M222 HydrophobicContact CG-CE 3.63Å; K218-M222 HydrophobicContact CG-SD 3.97Å; K218-M222 WeakPolarHBondContact O-CB 3.33Å; K218-M222 VanDerWaalsContact O-CG 3.26Å; K218-M222 WeakPolarHBondContact O-CG 3.25Å; K218-M222 PolarHBondContact O-N 2.9Å; H219-M222 PolarHBondContact O-N 3.29Å; M222-D224 PolarHBondContact O-N 2.99Å
223D68.3Low79.4Confident74 Ų7484.2 Ų84.240%0.39643%0.428SS..  trans-70.1104.6-178.7-164.7-7.2000110.3H219 N225H219-D223 PolarHBondContact O-N 2.96Å; D223-N225 PolarHBondContact O-N 3.32Å
224D57.2Low79.2Confident159 Ų15983.1 Ų83.185%0.8542%0.422SS*.  trans-63.8-6-175.6-88-29.8000113.7M222 S226M222-D224 PolarHBondContact O-N 2.99Å; D224-S226 PolarHBondContact O-N 3.17Å
225N59Low79.2Confident130 Ų13076.6 Ų76.670%0.69540%0.397SS*.SBendtrans-74.255.2177.2-86-27.6000113.8D223 K227D223-N225 PolarHBondContact O-N 3.32Å; N225-K227 PolarHBondContact O-N 3.47Å
226S48.1Very low79.3Confident120 Ų12073.8 Ų73.884%0.83939%0.385SS*.SBendtrans53.7-3.5152.2-49.90000120.3D224D224-S226 PolarHBondContact O-N 3.17Å
227K57.4Low79.5Confident183 Ų18373.8 Ų73.880%0.79639%0.385SS*.SBendtrans-144.1106.2173.7-70.8-178.8-173.3165.50107.9N225 K229N225-K227 PolarHBondContact O-N 3.47Å; K227-K229 PolarHBondContact O-N 3.44Å
228K63.8Low79.8Confident162 Ų16270.8 Ų70.870%0.70437%0.367SS*.  trans-47.2112.9168.2-70.5-167.9170.4-137.10109.1D221 G230D221-K228 IonicContact OD1-NZ 3.68Å; D221-K228 PolarHBondContact OD1-NZ 3.16Å; K228-G230 PolarHBondContact O-N 3.36Å; K228-G230 VanDerWaalsContact O-N 3.13Å
229K70.8Confident80Confident60 Ų6066.1 Ų66.126%0.26135%0.347SS..  trans-78.2101.8-179.2-170.2165.6-180170.60108.6D184 N186 Y220 K227D184-K229 WeakPolarHBondContact O-CE 3.11Å; D184-K229 PolarHBondContact O-NZ 3.01Å; D184-K229 IonicContact OD1-NZ 2.79Å; D184-K229 PolarHBondContact OD1-NZ 2.98Å; D184-K229 IonicContact OD2-NZ 3.96Å; D184-K229 PolarHBondContact OD2-NZ 2.73Å; N186-K229 PolarHBondContact ND2-O 3.22Å; Y220-K229 HydrophobicContact CD1-CB 4.02Å; Y220-K229 HydrophobicContact CE1-CB 4.49Å; Y220-K229 HydrophobicContact CE1-CD 4.17Å; K227-K229 PolarHBondContact O-N 3.44Å
230G82.6Confident80.2Confident51 Ų5164.3 Ų64.353%0.52634%0.338SS..  trans-62.2174.8174.100000112.2K228 T232K228-G230 PolarHBondContact O-N 3.36Å; K228-G230 VanDerWaalsContact O-N 3.13Å; G230-T232 PolarHBondContact O-N 3.45Å
231K87.9Confident80.6Confident56 Ų5664.1 Ų64.124%0.24334%0.337CS..  trans-56.8128176.8-67.1-75-174.5-174.70110.6N186 P187 D213 S503 E504 C505 P506N186-K231 CarbonylContact O-C 3.58Å; N186-K231 VanDerWaalsContact O-CA 3.25Å; N186-K231 WeakPolarHBondContact O-CA 3.47Å; N186-K231 WeakPolarHBondContact O-CD 3.16Å; N186-K231 PolarHBondContact OD1-NZ 3.37Å; P187-K231 WeakPolarHBondContact O-CD 3.36Å; P187-K231 PolarHBondContact O-NZ 3.25Å; D213-K231 IonicContact OD1-NZ 2.76Å; D213-K231 PolarHBondContact OD1-NZ 3.47Å; K231-S503 PolarHBondContact NZ-OG 2.86Å; K231-S503 VanDerWaalsContact NZ-OG 3.14Å; K231-E504 WeakPolarHBondContact CG-O 3.33Å; K231-C505 HydrophobicContact CB-CB 4.4Å; K231-P506 WeakPolarHBondContact O-CD 3.42Å
232T89.1Confident80.9Confident27 Ų2760.4 Ų60.417%0.16632%0.32CS..  trans-82.8175.3175.461.50000110.3E185 N186 G230 A234 C505 P506E185-T232 WeakPolarHBondContact OE2-CB 3.34Å; E185-T232 PolarHBondContact OE2-OG1 3.42Å; N186-T232 HydrophobicContact CB-CG2 4.31Å; N186-T232 PolarHBondContact N-OG1 3.37Å; N186-T232 VanDerWaalsContact N-OG1 3.12Å; N186-T232 PolarHBondContact O-N 3.01Å; N186-T232 PolarHBondContact O-OG1 3.32Å; G230-T232 PolarHBondContact O-N 3.45Å; T232-A234 PolarHBondContact O-N 2.9Å; T232-A234 VanDerWaalsContact O-N 3.13Å; T232-C505 VanDerWaalsContact O-CB 3.28Å; T232-C505 WeakPolarHBondContact O-CB 3.21Å; T232-P506 WeakPolarHBondContact O-CD 3.42Å
233Q88.3Confident81.6Confident88 Ų8856.3 Ų56.341%0.41130%0.298SS..SBendtrans-72.86.4175.2-69.2-176.9-2600113.7P506 A507 S533Q233-P506 HydrophobicContact CG-CB 4.28Å; Q233-A507 PolarHBondContact NE2-O 3.07Å; Q233-S533 PolarHBondContact O-OG 3.37Å
234A91.8Very high82.8Confident1 Ų152.9 Ų52.91%0.00828%0.28CS..  trans-80.2147.7178.800000111.5E185 P187 G188 T232 R534E185-A234 HydrophobicContact CB-CB 4.23Å; E185-A234 HydrophobicContact CG-CB 4.24Å; E185-A234 WeakPolarHBondContact OE2-CB 3.35Å; P187-A234 CarbonylContact C-O 3.58Å; P187-A234 WeakPolarHBondContact CA-O 3.45Å; P187-A234 HydrophobicContact CB-CB 3.93Å; P187-A234 WeakPolarHBondContact CB-O 3.33Å; G188-A234 PolarHBondContact N-O 3.16Å; T232-A234 PolarHBondContact O-N 2.9Å; T232-A234 VanDerWaalsContact O-N 3.13Å; A234-R534 CarbonylContact C-O 3.55Å; A234-R534 WeakPolarHBondContact CA-O 3.36Å; A234-R534 HydrophobicContact CB-CB 4.17Å; A234-R534 WeakPolarHBondContact CB-O 2.95Å
235Q94.6Very high84.6Confident16 Ų1646.2 Ų46.28%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-117.8138.8174.5-65.8-176.641.600109.7R534 L535 I536Q235-R534 PolarHBondContact N-O 2.75Å; Q235-L535 HydrophobicContact CB-CD1 3.91Å; Q235-I536 PolarHBondContact O-N 2.89Å
236L97.7Very high86.4Confident0 Ų040.7 Ų40.70%022%0.216CC..EExtended strand (participates in β ladder)trans-113.4118.8170.8172.363.8000109I176 P187 G188 V189 R190 V212 I238 I536 F538I176-L236 HydrophobicContact CG2-CD1 4.4Å; I176-L236 HydrophobicContact CG2-CD2 3.74Å; P187-L236 HydrophobicContact CB-CB 3.98Å; P187-L236 HydrophobicContact CG-CB 3.9Å; G188-L236 PolarHBondContact O-N 3.34Å; V189-L236 HydrophobicContact CG1-CD2 4.39Å; V189-L236 HydrophobicContact CG2-CD2 4.27Å; R190-L236 PolarHBondContact N-O 2.91Å; V212-L236 HydrophobicContact CG1-CD2 3.6Å; L236-I238 HydrophobicContact CD2-CD1 4.3Å; L236-I238 HydrophobicContact CG-CG1 4.29Å; L236-I536 CarbonylContact C-O 3.59Å; L236-I536 VanDerWaalsContact CA-O 3.31Å; L236-I536 WeakPolarHBondContact CA-O 3.36Å; L236-I536 HydrophobicContact CD1-CB 3.82Å; L236-I536 HydrophobicContact CD1-CG2 3.55Å; L236-F538 HydrophobicContact CD1-CB 4.48Å
237L98Very high88.7Confident0 Ų035 Ų350%018%0.177CC..EExtended strand (participates in β ladder)trans-104.4127.1174.7-52-175000110.1R190 V485 A489 L494 W499 L535 I536 I537 F538R190-L237 HydrophobicContact CB-CD2 3.71Å; R190-L237 HydrophobicContact CG-CD2 4.23Å; R190-L237 WeakPolarHBondContact O-CA 3.43Å; L237-V485 HydrophobicContact CD1-CG1 3.86Å; L237-A489 HydrophobicContact CD1-CB 3.96Å; L237-L494 HydrophobicContact CD1-CD2 4.2Å; L237-L494 HydrophobicContact CD2-CD2 4.24Å; L237-W499 HydrophobicContact CB-CZ3 4.37Å; L237-L535 HydrophobicContact CD1-CD1 3.94Å; L237-L535 HydrophobicContact CG-CD1 3.89Å; L237-I536 PolarHBondContact N-O 3.38Å; L237-I537 HydrophobicContact CB-CG1 4.3Å; L237-I537 HydrophobicContact CD1-CG1 4.41Å; L237-I537 WeakPolarHBondContact O-CA 3.13Å; L237-F538 PolarHBondContact O-N 2.98Å
238I98.1Very high90.6Very high0 Ų026.5 Ų26.50%014%0.14CC..EExtended strand (participates in β ladder)trans-111.2129.1175.5-64.3164.2000109.6V189 R190 Y191 K192 A205 L208 A209 V212 L236 F538 I540V189-I238 HydrophobicContact CG1-CD1 4.03Å; R190-I238 PolarHBondContact O-N 2.82Å; Y191-I238 CarbonylContact C-O 3.58Å; Y191-I238 VanDerWaalsContact CA-O 3.26Å; Y191-I238 WeakPolarHBondContact CA-O 3.47Å; K192-I238 PolarHBondContact N-O 3.12Å; A205-I238 HydrophobicContact CB-CG2 3.97Å; L208-I238 HydrophobicContact CB-CG2 4.32Å; L208-I238 HydrophobicContact CD2-CG2 3.91Å; L208-I238 HydrophobicContact CG-CD1 4.21Å; L208-I238 HydrophobicContact CG-CG2 4.37Å; A209-I238 HydrophobicContact CB-CD1 3.85Å; V212-I238 HydrophobicContact CG2-CD1 4.34Å; L236-I238 HydrophobicContact CD2-CD1 4.3Å; L236-I238 HydrophobicContact CG-CG1 4.29Å; I238-F538 WeakPolarHBondContact CA-O 3.33Å; I238-F538 HydrophobicContact CG1-CB 4.4Å; I238-I540 HydrophobicContact CG2-CD1 4.05Å; I238-I540 HydrophobicContact CG2-CG1 4.3Å
239V95.4Very high92.2Very high2 Ų218.8 Ų18.81%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-134.1150.7-176.7-52.40000111.3K192 I482 W499 F538 V539 I540K192-V239 HydrophobicContact CB-CG1 4.28Å; V239-I482 HydrophobicContact CG1-CD1 4.46Å; V239-I482 HydrophobicContact CG2-CD1 4.47Å; V239-W499 HydrophobicContact CG1-CH2 3.31Å; V239-W499 HydrophobicContact CG1-CZ3 3.41Å; V239-W499 VanDerWaalsContact CG1-CZ3 3.41Å; V239-F538 PolarHBondContact N-O 3.13Å; V239-V539 HydrophobicContact CG2-CB 3.9Å; V239-V539 HydrophobicContact CG2-CG1 3.95Å; V239-V539 HydrophobicContact CG2-CG2 3.57Å; V239-I540 PolarHBondContact O-N 3.43Å
240E93Very high93.4Very high5 Ų516.1 Ų16.12%0.02310%0.095CC..EExtended strand (participates in β ladder)trans-88.5156.7172.6-56-147.3-167.700111.2L202 N204 A205 G242 F243L202-E240 WeakPolarHBondContact CD2-OE2 3.46Å; N204-E240 VanDerWaalsContact CA-OE1 3.3Å; N204-E240 WeakPolarHBondContact CA-OE1 3.39Å; N204-E240 WeakPolarHBondContact CB-OE1 3.3Å; N204-E240 PolarHBondContact N-OE1 3.44Å; N204-E240 PolarHBondContact ND2-OE2 2.67Å; A205-E240 HydrophobicContact CB-CG 3.69Å; A205-E240 PolarHBondContact N-OE1 3.14Å; E240-G242 VanDerWaalsContact C-N 3.25Å; E240-G242 PolarHBondContact O-N 2.91Å; E240-F243 VanDerWaalsContact O-CB 3.27Å; E240-F243 WeakPolarHBondContact O-CB 3.42Å; E240-F243 PolarHBondContact O-N 3.04Å
241R93Very high94.1Very high3 Ų313.9 Ų13.91%0.0117%0.071CC..G310 helixtrans-63.1-34.2-179-171.160.4-90.8175-5.9112.3Y157 F243 D244 L446 I540 G542 E547Y157-R241 HydrophobicContact CE2-CB 4.49Å; Y157-R241 PolarHBondContact OH-N 2.9Å; Y157-R241 VanDerWaalsContact OH-N 3.13Å; R241-F243 PolarHBondContact O-N 2.91Å; R241-D244 PolarHBondContact NH2-O 2.63Å; R241-D244 PolarHBondContact O-N 2.84Å; R241-L446 HydrophobicContact CB-CD2 4.01Å; R241-L446 HydrophobicContact CG-CD2 3.88Å; R241-I540 WeakPolarHBondContact CB-O 3.27Å; R241-I540 PolarHBondContact N-O 2.94Å; R241-G542 WeakPolarHBondContact CD-O 3.41Å; R241-G542 PolarHBondContact NH1-O 3.05Å; R241-E547 IonicContact CZ-OE1 3.2Å; R241-E547 IonicContact CZ-OE2 3.73Å; R241-E547 VanDerWaalsContact NH1-CD 3.32Å; R241-E547 IonicContact NH1-OE1 2.84Å; R241-E547 PolarHBondContact NH1-OE1 3.12Å; R241-E547 VanDerWaalsContact NH1-OE1 3.08Å; R241-E547 IonicContact NH1-OE2 2.86Å; R241-E547 PolarHBondContact NH1-OE2 3.45Å; R241-E547 IonicContact NH2-OE1 3.72Å; R241-E547 PolarHBondContact NH2-OE1 3.38Å; R241-E547 IonicContact NH2-OE2 3.51Å
242G90.3Very high94.4Very high8 Ų811.8 Ų11.88%0.0826%0.062CC..G310 helixtrans-63.9-14.3178.900000115.1E240 D244 L446E240-G242 VanDerWaalsContact C-N 3.25Å; E240-G242 PolarHBondContact O-N 2.91Å; G242-D244 VanDerWaalsContact C-N 3.26Å; G242-D244 PolarHBondContact O-N 2.79Å; G242-L446 WeakPolarHBondContact CA-O 3.25Å
243F89.8Confident94.8Very high37 Ų3710.7 Ų10.716%0.1626%0.055CC..G310 helixtrans-60-35.8176168.5-101.6000112.9K192 E240 R241 V481 V485 W499K192-F243 HydrophobicContact CD-CD2 4.24Å; K192-F243 HydrophobicContact CD-CE2 4.3Å; K192-F243 HydrophobicContact CG-CD2 3.97Å; K192-F243 HydrophobicContact CG-CE2 4.47Å; E240-F243 VanDerWaalsContact O-CB 3.27Å; E240-F243 WeakPolarHBondContact O-CB 3.42Å; E240-F243 PolarHBondContact O-N 3.04Å; R241-F243 PolarHBondContact O-N 2.91Å; F243-V481 HydrophobicContact CE1-CB 3.87Å; F243-V481 HydrophobicContact CE1-CG1 3.53Å; F243-V481 HydrophobicContact CE2-CG1 4.32Å; F243-V481 HydrophobicContact CZ-CB 4.24Å; F243-V481 HydrophobicContact CZ-CG1 3.37Å; F243-V485 HydrophobicContact CE1-CG2 4.08Å; F243-V485 HydrophobicContact CZ-CG2 3.6Å; F243-W499 HydrophobicContact CE2-CZ2 4.1Å; F243-W499 HydrophobicContact CZ-CZ2 4.15Å
244D93.8Very high95.2Very high3 Ų37.1 Ų7.12%0.0164%0.039CC..  trans-139.888.8177-175.4-5.2000109.5R241 G242 V246 T247 P248 V481R241-D244 PolarHBondContact NH2-O 2.63Å; R241-D244 PolarHBondContact O-N 2.84Å; G242-D244 VanDerWaalsContact C-N 3.26Å; G242-D244 PolarHBondContact O-N 2.79Å; D244-V246 VanDerWaalsContact C-N 3.33Å; D244-V246 PolarHBondContact OD1-N 3.4Å; D244-T247 PolarHBondContact OD1-N 3.05Å; D244-T247 PolarHBondContact OD1-OG1 3.38Å; D244-T247 VanDerWaalsContact OD1-OG1 3.13Å; D244-T247 VanDerWaalsContact OD2-CB 3.3Å; D244-T247 WeakPolarHBondContact OD2-CB 3.44Å; D244-T247 PolarHBondContact OD2-OG1 2.9Å; D244-P248 WeakPolarHBondContact O-CD 3.4Å; D244-V481 HydrophobicContact CB-CB 4.12Å; D244-V481 HydrophobicContact CB-CG2 4.13Å; D244-V481 WeakPolarHBondContact OD2-CB 3.2Å; D244-V481 WeakPolarHBondContact OD2-CG2 3.36Å; D244-V481 PolarHBondContact OD2-N 2.96Å
245P94.3Very high95.5Very high18 Ų187 Ų712%0.1174%0.039CC..SBendtrans-82.9-12.8179.434.3-35.6000113F414 W443 V448P245-F414 HydrophobicContact CB-CD2 4.09Å; P245-F414 HydrophobicContact CB-CE1 4.38Å; P245-F414 HydrophobicContact CB-CE2 3.65Å; P245-F414 HydrophobicContact CB-CZ 3.83Å; P245-F414 HydrophobicContact CG-CD1 4.46Å; P245-F414 HydrophobicContact CG-CD2 4.04Å; P245-F414 HydrophobicContact CG-CE2 4.11Å; P245-F414 HydrophobicContact CG-CG 4.23Å; P245-F414 HydrophobicContact CG-CZ 4.38Å; P245-F414 WeakPolarHBondContact O-CE2 3.36Å; P245-W443 HydrophobicContact CB-CE3 3.89Å; P245-W443 HydrophobicContact CB-CH2 4.32Å; P245-W443 HydrophobicContact CB-CZ3 3.41Å; P245-W443 VanDerWaalsContact CB-CZ3 3.41Å; P245-V448 HydrophobicContact CB-CG1 4.17Å; P245-V448 HydrophobicContact CB-CG2 3.91Å; P245-V448 HydrophobicContact CG-CG1 3.97Å; P245-V448 HydrophobicContact CG-CG2 4.14Å
246V96.3Very high95.6Very high14 Ų146.5 Ų6.59%0.0854%0.036CC..SBendtrans-80.7-50.1-1751700000110.8D244 P248 I249 L250 A375 L411 F414 W478D244-V246 VanDerWaalsContact C-N 3.33Å; D244-V246 PolarHBondContact OD1-N 3.4Å; V246-P248 VanDerWaalsContact C-CD 3.49Å; V246-I249 WeakPolarHBondContact O-CG1 3.48Å; V246-I249 PolarHBondContact O-N 2.86Å; V246-L250 HydrophobicContact CG1-CD1 3.58Å; V246-L250 HydrophobicContact CG1-CG 4.05Å; V246-L250 PolarHBondContact O-N 3.19Å; V246-A375 HydrophobicContact CG1-CB 3.79Å; V246-L411 HydrophobicContact CB-CD2 4.37Å; V246-L411 HydrophobicContact CG1-CD2 3.74Å; V246-L411 HydrophobicContact CG2-CD2 4.38Å; V246-F414 HydrophobicContact CG2-CB 4.1Å; V246-F414 HydrophobicContact CG2-CD2 3.93Å; V246-F414 HydrophobicContact CG2-CG 4.46Å; V246-W478 HydrophobicContact CB-CH2 3.97Å; V246-W478 HydrophobicContact CB-CZ2 3.63Å; V246-W478 HydrophobicContact CG1-CD2 3.92Å; V246-W478 HydrophobicContact CG1-CE3 4.21Å; V246-W478 HydrophobicContact CG1-CH2 3.77Å; V246-W478 HydrophobicContact CG1-CZ2 3.47Å; V246-W478 VanDerWaalsContact CG1-CZ2 3.47Å; V246-W478 HydrophobicContact CG1-CZ3 4.15Å; V246-W478 HydrophobicContact CG2-CH2 4.28Å; V246-W478 HydrophobicContact CG2-CZ2 4.42Å
247T96.9Very high95.6Very high2 Ų26.9 Ų6.91%0.0124%0.04CC..G310 helixtrans-53.5-46.2-175.4-64.70000115.2D244 I249 W478 P480 S546 E547D244-T247 PolarHBondContact OD1-N 3.05Å; D244-T247 PolarHBondContact OD1-OG1 3.38Å; D244-T247 VanDerWaalsContact OD1-OG1 3.13Å; D244-T247 VanDerWaalsContact OD2-CB 3.3Å; D244-T247 WeakPolarHBondContact OD2-CB 3.44Å; D244-T247 PolarHBondContact OD2-OG1 2.9Å; T247-I249 PolarHBondContact O-N 3.14Å; T247-W478 PolarHBondContact OG1-NE1 3.1Å; T247-P480 HydrophobicContact CG2-CB 3.85Å; T247-P480 HydrophobicContact CG2-CG 3.76Å; T247-P480 WeakPolarHBondContact OG1-CA 3.36Å; T247-S546 WeakPolarHBondContact CG2-OG 3.47Å; T247-E547 HydrophobicContact CG2-CG 3.78Å
248P96.9Very high95.6Very high3 Ų37 Ų72%0.0194%0.04CC..G310 helixtrans-75.1-9-174.731.5-37.6000114.2D244 V246 P573 L576D244-P248 WeakPolarHBondContact O-CD 3.4Å; V246-P248 VanDerWaalsContact C-CD 3.49Å; P248-P573 WeakPolarHBondContact O-CA 3.29Å; P248-P573 WeakPolarHBondContact O-CG 3.25Å; P248-L576 HydrophobicContact CB-CD2 3.56Å; P248-L576 HydrophobicContact CG-CD2 3.6Å
249I97Very high95.5Very high0 Ų07 Ų70%04%0.04CC..G310 helixtrans-109.2-2.7179.464.4165.6000113.7V246 T247 R407 L410 L411 F414 W443 L576V246-I249 WeakPolarHBondContact O-CG1 3.48Å; V246-I249 PolarHBondContact O-N 2.86Å; T247-I249 PolarHBondContact O-N 3.14Å; I249-R407 HydrophobicContact CB-CG 4.34Å; I249-R407 PolarHBondContact O-NE 2.55Å; I249-R407 PolarHBondContact O-NH2 2.93Å; I249-R407 VanDerWaalsContact O-NH2 3.15Å; I249-L410 HydrophobicContact CD1-CB 3.59Å; I249-L410 HydrophobicContact CD1-CD1 4.25Å; I249-L411 HydrophobicContact CD1-CD2 3.86Å; I249-L411 HydrophobicContact CD1-CG 3.91Å; I249-L411 HydrophobicContact CG1-CD2 4.08Å; I249-L411 HydrophobicContact CG1-CG 4.43Å; I249-F414 HydrophobicContact CD1-CD2 4.12Å; I249-F414 HydrophobicContact CD1-CE2 3.61Å; I249-W443 HydrophobicContact CG2-CH2 3.79Å; I249-W443 HydrophobicContact CG2-CZ2 3.76Å; I249-L576 HydrophobicContact CG2-CD2 4.32Å
250L96.4Very high95.6Very high4 Ų47.9 Ų7.92%0.0214%0.043CC..SBendtrans-78.8143.9179.6-82.5171.1000112.1V246 E252 E371 A375 R407 L411 W478V246-L250 HydrophobicContact CG1-CD1 3.58Å; V246-L250 HydrophobicContact CG1-CG 4.05Å; V246-L250 PolarHBondContact O-N 3.19Å; L250-E252 PolarHBondContact O-N 2.78Å; L250-E252 VanDerWaalsContact O-N 3.15Å; L250-E371 HydrophobicContact CD2-CB 3.83Å; L250-A375 HydrophobicContact CD1-CB 4.09Å; L250-A375 HydrophobicContact CD2-CB 4.05Å; L250-R407 PolarHBondContact O-NH2 3.33Å; L250-L411 HydrophobicContact CD2-CD1 3.66Å; L250-L411 HydrophobicContact CD2-CD2 3.95Å; L250-L411 HydrophobicContact CD2-CG 4.47Å; L250-L411 HydrophobicContact CG-CD2 4.19Å; L250-W478 HydrophobicContact CD1-CB 3.72Å; L250-W478 HydrophobicContact CD1-CD2 3.96Å; L250-W478 HydrophobicContact CD1-CG 3.33Å
251H96.9Very high95.8Very high4 Ų48.2 Ų8.22%0.0195%0.045CC..  trans-72.6103.9167.8-75.792.6000109.8D261 V364 L367 E371 D404 R407H251-D261 IonicContact CD2-OD2 3.54Å; H251-D261 PolarHBondContact CD2-OD2 2.95Å; H251-D261 VanDerWaalsContact CD2-OD2 3.24Å; H251-D261 IonicContact CG-OD2 3.92Å; H251-D261 IonicContact NE2-OD2 3.56Å; H251-V364 HydrophobicContact CB-CG1 3.87Å; H251-L367 WeakPolarHBondContact CE1-CD2 3.46Å; H251-E371 WeakPolarHBondContact CB-OE2 3.43Å; H251-E371 IonicContact CE1-OE1 3.45Å; H251-E371 PolarHBondContact CE1-OE1 3.42Å; H251-E371 IonicContact CG-OE1 3.63Å; H251-E371 IonicContact CG-OE2 3.24Å; H251-E371 PolarHBondContact N-OE2 3.36Å; H251-E371 VanDerWaalsContact ND1-CD 3.27Å; H251-E371 IonicContact ND1-OE1 2.92Å; H251-E371 PolarHBondContact ND1-OE1 2.98Å; H251-E371 IonicContact ND1-OE2 3.9Å; H251-E371 PolarHBondContact ND1-OE2 3.02Å; H251-E371 VanDerWaalsContact ND1-OE2 3.13Å; H251-D404 IonicContact CE1-OD1 3.73Å; H251-D404 IonicContact NE2-OD1 2.8Å; H251-R407 PolarHBondContact CE1-NE 2.96Å; H251-R407 PolarHBondContact CE1-NH1 3.42Å; H251-R407 VanDerWaalsContact CE1-NH1 3.25Å; H251-R407 VanDerWaalsContact N-NH2 3.2Å; H251-R407 PolarHBondContact ND1-NH2 2.93Å; H251-R407 PolarHBondContact NE2-NH1 2.97Å
252E95.5Very high95.9Very high12 Ų129.2 Ų9.26%0.0565%0.051CC..  trans-90.5135.7-177.3-16076.2179.800111.1L250 A257 M258 R549L250-E252 PolarHBondContact O-N 2.78Å; L250-E252 VanDerWaalsContact O-N 3.15Å; E252-A257 HydrophobicContact CB-CB 3.64Å; E252-A257 HydrophobicContact CG-CB 3.72Å; E252-M258 WeakPolarHBondContact O-CA 3.48Å; E252-M258 VanDerWaalsContact O-CB 3.23Å; E252-M258 WeakPolarHBondContact O-CB 3.35Å; E252-R549 IonicContact OE1-CZ 3.71Å; E252-R549 IonicContact OE1-NH1 3.31Å; E252-R549 PolarHBondContact OE1-NH1 2.69Å; E252-R549 IonicContact OE1-NH2 3.74Å; E252-R549 PolarHBondContact OE1-NH2 3.19Å
253L96.6Very high96.1Very high4 Ų49.3 Ų9.32%0.0215%0.049CC..  trans-103.113.2-175.1-55.8-178.7000114.3M258 H298 I299 F360 L475L253-M258 HydrophobicContact CD2-CE 4.36Å; L253-M258 HydrophobicContact CD2-SD 4.32Å; L253-H298 WeakPolarHBondContact CB-NE2 3.44Å; L253-I299 HydrophobicContact CB-CG2 4.31Å; L253-I299 WeakPolarHBondContact O-CB 3.32Å; L253-I299 WeakPolarHBondContact O-CG2 3.36Å; L253-I299 PolarHBondContact O-N 3.33Å; L253-F360 HydrophobicContact CD1-CE2 3.92Å; L253-F360 HydrophobicContact CD1-CZ 4.36Å; L253-F360 HydrophobicContact CD2-CD2 3.73Å; L253-F360 HydrophobicContact CD2-CE2 3.62Å; L253-F360 HydrophobicContact CG-CE2 4.46Å; L253-L475 HydrophobicContact CD1-CB 3.67Å; L253-L475 HydrophobicContact CD1-CD1 4.46Å
254T96.9Very high96.2Very high13 Ų1312.7 Ų12.78%0.088%0.075CC..BIsolated β-bridgetrans-84.4144.7166.451.50000111.3Q256 A257 M258 M297 R549T254-Q256 PolarHBondContact O-N 3.12Å; T254-A257 PolarHBondContact O-N 3.01Å; T254-A257 VanDerWaalsContact O-N 3.14Å; T254-M258 VanDerWaalsContact O-CB 3.3Å; T254-M258 WeakPolarHBondContact O-CB 3.24Å; T254-M258 PolarHBondContact O-N 3.27Å; T254-M297 CarbonylContact C-O 3.58Å; T254-M297 WeakPolarHBondContact CA-O 3.19Å; T254-R549 PolarHBondContact OG1-NH1 3.43Å
255Y97.6Very high96.3Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-51.5-50.3-162-174.9-142.4000115.1A259 W291 L294 M297 I299 V302 H349 L352Y255-A259 WeakPolarHBondContact O-CB 3.35Å; Y255-A259 PolarHBondContact O-N 3.17Å; Y255-W291 HydrophobicContact CD1-CE3 4.02Å; Y255-W291 AromaticContact CD1-CZ3 3.73Å; Y255-W291 HydrophobicContact CD1-CZ3 3.73Å; Y255-W291 AromaticContact CE1-CE3 3.68Å; Y255-W291 HydrophobicContact CE1-CE3 3.68Å; Y255-W291 AromaticContact CE1-CZ3 3.56Å; Y255-W291 HydrophobicContact CE1-CZ3 3.56Å; Y255-W291 HydrophobicContact CG-CZ3 4.43Å; Y255-L294 HydrophobicContact CD1-CB 3.85Å; Y255-L294 HydrophobicContact CE1-CB 4.14Å; Y255-M297 PolarHBondContact N-O 3Å; Y255-I299 HydrophobicContact CD2-CD1 3.88Å; Y255-I299 HydrophobicContact CE2-CD1 4.44Å; Y255-V302 HydrophobicContact CD1-CG1 4.17Å; Y255-V302 HydrophobicContact CD1-CG2 4.42Å; Y255-V302 HydrophobicContact CD2-CG1 4.15Å; Y255-V302 HydrophobicContact CE1-CG1 4.26Å; Y255-V302 HydrophobicContact CE2-CG1 4.25Å; Y255-V302 HydrophobicContact CG-CG1 4.11Å; Y255-V302 HydrophobicContact CG-CG2 4.2Å; Y255-H349 AromaticContact CE1-ND1 3.55Å; Y255-H349 AromaticContact CZ-ND1 3.67Å; Y255-H349 WeakPolarHBondContact OH-CA 3.48Å; Y255-H349 PolarHBondContact OH-ND1 3.48Å; Y255-H349 PolarHBondContact OH-O 3.43Å; Y255-L352 HydrophobicContact CE2-CD2 4.19Å; Y255-L352 HydrophobicContact CE2-CG 4.08Å
256Q97.9Very high96.2Very high4 Ų420.6 Ų20.62%0.01911%0.108CC..Hα-helixtrans-67.7-49.6179173.1-179.334.100112.7E141 T254 M258 A259 Y260 W291 R295 H296 Y545E141-Q256 PolarHBondContact OE1-NE2 3.4Å; T254-Q256 PolarHBondContact O-N 3.12Å; Q256-M258 VanDerWaalsContact C-N 3.3Å; Q256-M258 PolarHBondContact O-N 2.8Å; Q256-A259 PolarHBondContact O-N 2.65Å; Q256-Y260 HydrophobicContact CG-CD2 4.15Å; Q256-Y260 HydrophobicContact CG-CE2 4.16Å; Q256-Y260 VanDerWaalsContact O-CD2 3.29Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.27Å; Q256-Y260 PolarHBondContact O-N 3.14Å; Q256-Y260 VanDerWaalsContact O-N 3.08Å; Q256-W291 HydrophobicContact CB-CH2 3.76Å; Q256-W291 HydrophobicContact CB-CZ2 3.89Å; Q256-W291 HydrophobicContact CG-CH2 4.01Å; Q256-W291 HydrophobicContact CG-CZ2 3.75Å; Q256-R295 HydrophobicContact CB-CB 3.83Å; Q256-R295 VanDerWaalsContact CB-O 3.3Å; Q256-R295 WeakPolarHBondContact CB-O 3.25Å; Q256-R295 PolarHBondContact N-O 3.15Å; Q256-H296 PolarHBondContact OE1-CE1 2.59Å; Q256-H296 VanDerWaalsContact OE1-CE1 3.32Å; Q256-Y545 HydrophobicContact CG-CD1 3.57Å; Q256-Y545 HydrophobicContact CG-CE1 4.05Å; Q256-Y545 HydrophobicContact CG-CG 4.23Å
257A97.4Very high95.8Very high9 Ų927.1 Ų27.17%0.07414%0.143CC..Hα-helixtrans-60-43.4-179.500000111.6E252 T254 D261E252-A257 HydrophobicContact CB-CB 3.64Å; E252-A257 HydrophobicContact CG-CB 3.72Å; T254-A257 PolarHBondContact O-N 3.01Å; T254-A257 VanDerWaalsContact O-N 3.14Å; A257-D261 WeakPolarHBondContact O-CB 3.47Å; A257-D261 PolarHBondContact O-N 3.11Å; A257-D261 VanDerWaalsContact O-N 3.11Å
258M97.3Very high95.6Very high1 Ų129.4 Ų29.41%0.00516%0.155CC..Hα-helixtrans-64.6-42.7177.3-169.5-179.1-179.800112.4E252 L253 T254 Q256 D261 L262 I299 C356 F360E252-M258 WeakPolarHBondContact O-CA 3.48Å; E252-M258 VanDerWaalsContact O-CB 3.23Å; E252-M258 WeakPolarHBondContact O-CB 3.35Å; L253-M258 HydrophobicContact CD2-CE 4.36Å; L253-M258 HydrophobicContact CD2-SD 4.32Å; T254-M258 VanDerWaalsContact O-CB 3.3Å; T254-M258 WeakPolarHBondContact O-CB 3.24Å; T254-M258 PolarHBondContact O-N 3.27Å; Q256-M258 VanDerWaalsContact C-N 3.3Å; Q256-M258 PolarHBondContact O-N 2.8Å; M258-D261 PolarHBondContact O-N 2.91Å; M258-L262 HydrophobicContact CE-CD1 3.65Å; M258-L262 HydrophobicContact CG-CD1 3.74Å; M258-L262 HydrophobicContact CG-CG 4.32Å; M258-L262 WeakPolarHBondContact O-CB 3.34Å; M258-L262 WeakPolarHBondContact O-CG 3.42Å; M258-L262 PolarHBondContact O-N 3.47Å; M258-I299 HydrophobicContact CE-CG1 4.38Å; M258-I299 HydrophobicContact SD-CB 3.72Å; M258-I299 HydrophobicContact SD-CD1 4.12Å; M258-I299 HydrophobicContact SD-CG1 3.66Å; M258-I299 HydrophobicContact SD-CG2 3.87Å; M258-C356 HydrophobicContact CE-CB 3.95Å; M258-C356 WeakPolarHBondContact CE-O 3.38Å; M258-C356 HydrophobicContact CG-CB 4.43Å; M258-C356 HydrophobicContact SD-CB 4.09Å; M258-F360 HydrophobicContact CE-CB 3.48Å; M258-F360 VanDerWaalsContact CE-CB 3.48Å; M258-F360 HydrophobicContact CE-CD2 4.13Å; M258-F360 HydrophobicContact CE-CG 4Å
259A97.3Very high95.5Very high0 Ų031 Ų310%017%0.165CC..Hα-helixtrans-62.9-45.9-179.800000111.5Y255 Q256 D261 V263 I265 L352Y255-A259 WeakPolarHBondContact O-CB 3.35Å; Y255-A259 PolarHBondContact O-N 3.17Å; Q256-A259 PolarHBondContact O-N 2.65Å; A259-D261 VanDerWaalsContact C-N 3.34Å; A259-V263 WeakPolarHBondContact O-CA 3.46Å; A259-V263 VanDerWaalsContact O-CB 3.27Å; A259-V263 WeakPolarHBondContact O-CB 3.31Å; A259-V263 PolarHBondContact O-N 2.84Å; A259-I265 HydrophobicContact CB-CD1 3.91Å; A259-L352 HydrophobicContact CB-CD1 4.11Å; A259-L352 HydrophobicContact CB-CD2 4.22Å; A259-L352 HydrophobicContact CB-CG 4.36Å
260Y97.4Very high95.5Very high21 Ų2131 Ų318%0.08217%0.165CC..Hα-helixtrans-75-21.8-179.4-79.1-104.5000113.5Q256 I265 D268 L284 W291 Y545Q256-Y260 HydrophobicContact CG-CD2 4.15Å; Q256-Y260 HydrophobicContact CG-CE2 4.16Å; Q256-Y260 VanDerWaalsContact O-CD2 3.29Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.27Å; Q256-Y260 PolarHBondContact O-N 3.14Å; Q256-Y260 VanDerWaalsContact O-N 3.08Å; Y260-I265 HydrophobicContact CD1-CB 4.21Å; Y260-I265 HydrophobicContact CD1-CG2 4.07Å; Y260-I265 HydrophobicContact CD2-CD1 3.98Å; Y260-I265 HydrophobicContact CE1-CB 4.31Å; Y260-I265 HydrophobicContact CE1-CG2 3.65Å; Y260-I265 HydrophobicContact CE2-CD1 4.16Å; Y260-I265 HydrophobicContact CE2-CG2 4.47Å; Y260-I265 HydrophobicContact CG-CD1 4.27Å; Y260-D268 WeakPolarHBondContact CE1-OD1 3.48Å; Y260-D268 PolarHBondContact OH-OD1 2.73Å; Y260-L284 HydrophobicContact CE2-CD1 4.27Å; Y260-W291 HydrophobicContact CE2-CH2 4.12Å; Y260-W291 AromaticContact CE2-CZ2 3.95Å; Y260-W291 HydrophobicContact CE2-CZ2 3.95Å; Y260-Y545 HydrophobicContact CD1-CE1 4.38Å; Y260-Y545 AromaticContact CD1-CE2 3.88Å; Y260-Y545 HydrophobicContact CD1-CE2 3.88Å; Y260-Y545 AromaticContact CD1-CZ 3.52Å; Y260-Y545 WeakPolarHBondContact CD1-OH 3.39Å; Y260-Y545 HydrophobicContact CD2-CE1 4.3Å; Y260-Y545 HydrophobicContact CD2-CE2 4.44Å; Y260-Y545 HydrophobicContact CE1-CE1 4.46Å; Y260-Y545 AromaticContact CE1-CZ 3.86Å; Y260-Y545 WeakPolarHBondContact CE1-OH 3.35Å; Y260-Y545 HydrophobicContact CE2-CE1 4.41Å; Y260-Y545 HydrophobicContact CG-CD2 4.44Å; Y260-Y545 HydrophobicContact CG-CE1 4.26Å; Y260-Y545 AromaticContact CG-CE2 3.72Å; Y260-Y545 HydrophobicContact CG-CE2 3.72Å; Y260-Y545 AromaticContact CG-CZ 3.61Å
261D96.3Very high95.3Very high13 Ų1336.6 Ų36.67%0.0719%0.189CC..Hα-helixtrans-79.4-45.2173.8-171.115.6000111.8H251 A257 M258 A259 R407 P573H251-D261 IonicContact CD2-OD2 3.54Å; H251-D261 PolarHBondContact CD2-OD2 2.95Å; H251-D261 VanDerWaalsContact CD2-OD2 3.24Å; H251-D261 IonicContact CG-OD2 3.92Å; H251-D261 IonicContact NE2-OD2 3.56Å; A257-D261 WeakPolarHBondContact O-CB 3.47Å; A257-D261 PolarHBondContact O-N 3.11Å; A257-D261 VanDerWaalsContact O-N 3.11Å; M258-D261 PolarHBondContact O-N 2.91Å; A259-D261 VanDerWaalsContact C-N 3.34Å; D261-R407 IonicContact OD1-CZ 3.11Å; D261-R407 IonicContact OD1-NH1 3.58Å; D261-R407 PolarHBondContact OD1-NH1 2.97Å; D261-R407 IonicContact OD1-NH2 3.51Å; D261-R407 IonicContact OD2-CZ 3.48Å; D261-R407 IonicContact OD2-NH1 2.87Å; D261-R407 PolarHBondContact OD2-NH1 3.33Å; D261-R407 IonicContact OD2-NH2 2.89Å; D261-R407 PolarHBondContact OD2-NH2 3.04Å; D261-P573 HydrophobicContact CB-CG 4.48Å
262L94.9Very high95Very high23 Ų2337.7 Ų37.712%0.1219%0.193CC..Hα-helixtrans-98.5-26.5-168.4-58.1-175000114.9M258 H359 V364M258-L262 HydrophobicContact CE-CD1 3.65Å; M258-L262 HydrophobicContact CG-CD1 3.74Å; M258-L262 HydrophobicContact CG-CG 4.32Å; M258-L262 WeakPolarHBondContact O-CB 3.34Å; M258-L262 WeakPolarHBondContact O-CG 3.42Å; M258-L262 PolarHBondContact O-N 3.47Å; L262-H359 HydrophobicContact CB-CB 4.16Å; L262-H359 HydrophobicContact CD1-CB 4.12Å; L262-V364 HydrophobicContact CD1-CG2 4.16Å; L262-V364 HydrophobicContact CD2-CG2 3.78Å
263V94.8Very high94.5Very high10 Ų1044.1 Ų44.16%0.06122%0.221CC..SBendtrans-110.7136.4-175-177.30000108.6A259 I265 Y270 L352 D355A259-V263 WeakPolarHBondContact O-CA 3.46Å; A259-V263 VanDerWaalsContact O-CB 3.27Å; A259-V263 WeakPolarHBondContact O-CB 3.31Å; A259-V263 PolarHBondContact O-N 2.84Å; V263-I265 VanDerWaalsContact C-N 3.28Å; V263-I265 HydrophobicContact CB-CG1 4.42Å; V263-I265 HydrophobicContact CG1-CG1 4.29Å; V263-I265 PolarHBondContact O-N 2.85Å; V263-Y270 HydrophobicContact CG1-CD2 3.81Å; V263-Y270 HydrophobicContact CG1-CE2 3.64Å; V263-L352 HydrophobicContact CB-CD1 4.32Å; V263-L352 HydrophobicContact CG1-CD1 4.12Å; V263-L352 HydrophobicContact CG2-CD1 4.15Å; V263-D355 HydrophobicContact CG2-CB 4.13Å
264P92.9Very high93.6Very high109 Ų10944.5 Ų44.571%0.70822%0.224SC*.  trans-72.281.3-17830-36.7000111.6
265I95.3Very high92.3Very high22 Ų2250.3 Ų50.311%0.11325%0.248CC..  trans-95.5125.5174.7-60.9169000107.9A259 Y260 V263 Y270 L284 L352A259-I265 HydrophobicContact CB-CD1 3.91Å; Y260-I265 HydrophobicContact CD1-CB 4.21Å; Y260-I265 HydrophobicContact CD1-CG2 4.07Å; Y260-I265 HydrophobicContact CD2-CD1 3.98Å; Y260-I265 HydrophobicContact CE1-CB 4.31Å; Y260-I265 HydrophobicContact CE1-CG2 3.65Å; Y260-I265 HydrophobicContact CE2-CD1 4.16Å; Y260-I265 HydrophobicContact CE2-CG2 4.47Å; Y260-I265 HydrophobicContact CG-CD1 4.27Å; V263-I265 VanDerWaalsContact C-N 3.28Å; V263-I265 HydrophobicContact CB-CG1 4.42Å; V263-I265 HydrophobicContact CG1-CG1 4.29Å; V263-I265 PolarHBondContact O-N 2.85Å; I265-Y270 HydrophobicContact CG1-CD2 4.46Å; I265-L284 HydrophobicContact CD1-CD1 3.77Å; I265-L284 HydrophobicContact CG2-CD1 4.4Å; I265-L352 HydrophobicContact CD1-CD1 4.41Å
266K91.2Very high91Very high164 Ų16456.5 Ų56.571%0.71328%0.281SS*.BIsolated β-bridgetrans-124129.9177.6-65.5-170.4177.8-171.20109.7D268 T269K266-D268 PolarHBondContact O-N 2.77Å; K266-T269 PolarHBondContact N-O 3.35Å; K266-T269 WeakPolarHBondContact O-CA 3.5Å; K266-T269 VanDerWaalsContact O-CB 3.26Å; K266-T269 WeakPolarHBondContact O-CB 3.33Å; K266-T269 PolarHBondContact O-N 2.81Å
267N88.6Confident90Very high152 Ų15259.1 Ų59.181%0.81331%0.31SS*.THydrogen-bonded Turntrans48.748.6-177.7-57-30.1000111.9T269N267-T269 PolarHBondContact O-N 3.03Å; N267-T269 PolarHBondContact O-OG1 2.75Å
268D93Very high89.3Confident49 Ų4961.2 Ų61.226%0.26232%0.323SS..THydrogen-bonded Turntrans57.212.7-177-51.5-41.4000115.3Y260 K266 L283 L284Y260-D268 WeakPolarHBondContact CE1-OD1 3.48Å; Y260-D268 PolarHBondContact OH-OD1 2.73Å; K266-D268 PolarHBondContact O-N 2.77Å; D268-L283 HydrophobicContact CB-CD1 4.03Å; D268-L283 WeakPolarHBondContact O-CA 3.48Å; D268-L284 PolarHBondContact O-N 3.13Å
269T95.1Very high88.9Confident36 Ų3667.5 Ų67.522%0.22135%0.353CS..EExtended strand (participates in β ladder)trans-99.7111.8-178.8-55.90000109.7K266 N267 E281 A282K266-T269 PolarHBondContact N-O 3.35Å; K266-T269 WeakPolarHBondContact O-CA 3.5Å; K266-T269 VanDerWaalsContact O-CB 3.26Å; K266-T269 WeakPolarHBondContact O-CB 3.33Å; K266-T269 PolarHBondContact O-N 2.81Å; N267-T269 PolarHBondContact O-N 3.03Å; N267-T269 PolarHBondContact O-OG1 2.75Å; T269-E281 HydrophobicContact CG2-CB 3.96Å; T269-E281 HydrophobicContact CG2-CG 4.47Å; T269-A282 WeakPolarHBondContact CA-O 3.41Å
270Y95.6Very high88.5Confident1 Ų171.1 Ų71.10%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-91.8122.4173.3168.8-123.7000109.9V263 I265 Y272 E281 A282 V348 N351 L352 D355V263-Y270 HydrophobicContact CG1-CD2 3.81Å; V263-Y270 HydrophobicContact CG1-CE2 3.64Å; I265-Y270 HydrophobicContact CG1-CD2 4.46Å; Y270-Y272 AromaticContact CD1-CD1 3.9Å; Y270-Y272 HydrophobicContact CD1-CD1 3.9Å; Y270-Y272 HydrophobicContact CD1-CG 4.49Å; Y270-Y272 AromaticContact CE1-CD1 3.72Å; Y270-Y272 HydrophobicContact CE1-CD1 3.72Å; Y270-Y272 AromaticContact CE1-CG 3.88Å; Y270-Y272 HydrophobicContact CE1-CG 3.88Å; Y270-Y272 WeakPolarHBondContact OH-CB 3.49Å; Y270-E281 WeakPolarHBondContact O-CA 3.48Å; Y270-A282 PolarHBondContact N-O 3.2Å; Y270-A282 PolarHBondContact O-N 2.83Å; Y270-V348 HydrophobicContact CD1-CG1 4.06Å; Y270-V348 HydrophobicContact CE1-CG1 4.43Å; Y270-N351 HydrophobicContact CE1-CB 4.49Å; Y270-L352 HydrophobicContact CD1-CB 4.27Å; Y270-L352 HydrophobicContact CD1-CD1 4.43Å; Y270-L352 HydrophobicContact CD2-CD1 3.9Å; Y270-L352 HydrophobicContact CE1-CB 3.75Å; Y270-L352 HydrophobicContact CE1-CD1 4.29Å; Y270-L352 HydrophobicContact CE2-CD1 3.77Å; Y270-L352 HydrophobicContact CG-CD1 4.24Å; Y270-L352 WeakPolarHBondContact OH-CA 3.49Å; Y270-L352 PolarHBondContact OH-N 3.32Å; Y270-D355 PolarHBondContact OH-OD2 3.24Å
271K93.9Very high88.3Confident122 Ų12275.9 Ų75.953%0.5339%0.392SS..EExtended strand (participates in β ladder)trans-100.6128175.4-51.9-161.3-174.5-150.90109.7K280 E281K271-K280 WeakPolarHBondContact CA-O 3.45Å; K271-E281 HydrophobicContact CD-CG 4.33Å; K271-E281 WeakPolarHBondContact CD-OE1 3.1Å; K271-E281 WeakPolarHBondContact CE-OE1 3.39Å; K271-E281 HydrophobicContact CG-CG 4.1Å; K271-E281 IonicContact NZ-OE1 3.75Å; K271-E281 PolarHBondContact NZ-OE1 2.82Å
272Y90.1Very high88.1Confident27 Ų2776 Ų7611%0.10639%0.394CS..EExtended strand (participates in β ladder)trans-138.4153.1-179.668.3-80.8000111.9Y270 K280 A282 V348 N351Y270-Y272 AromaticContact CD1-CD1 3.9Å; Y270-Y272 HydrophobicContact CD1-CD1 3.9Å; Y270-Y272 HydrophobicContact CD1-CG 4.49Å; Y270-Y272 AromaticContact CE1-CD1 3.72Å; Y270-Y272 HydrophobicContact CE1-CD1 3.72Å; Y270-Y272 AromaticContact CE1-CG 3.88Å; Y270-Y272 HydrophobicContact CE1-CG 3.88Å; Y270-Y272 WeakPolarHBondContact OH-CB 3.49Å; Y272-K280 HydrophobicContact CD1-CB 4.27Å; Y272-K280 WeakPolarHBondContact CD1-O 3.42Å; Y272-K280 HydrophobicContact CE1-CB 3.73Å; Y272-K280 HydrophobicContact CE2-CB 4.02Å; Y272-K280 HydrophobicContact CE2-CD 4.13Å; Y272-K280 PolarHBondContact N-O 3.37Å; Y272-K280 PolarHBondContact O-N 3.29Å; Y272-A282 HydrophobicContact CE1-CB 4.1Å; Y272-V348 HydrophobicContact CE1-CG2 3.89Å; Y272-N351 HydrophobicContact CD2-CB 4.29Å
273K85.3Confident88Confident146 Ų14679.4 Ų79.464%0.63541%0.412SS*.EExtended strand (participates in β ladder)trans-90.4121178.6-68.9-176.6179.5-177.10110E279K273-E279 WeakPolarHBondContact CE-OE1 3.34Å; K273-E279 HydrophobicContact CG-CG 4.14Å
274S77.9Confident88Confident12 Ų1279.1 Ų79.18%0.08441%0.41CS..  trans-68.4155.2166.6-165.10000109.5D276 G277 S278 K280S274-D276 PolarHBondContact O-N 3.33Å; S274-G277 PolarHBondContact O-N 2.68Å; S274-S278 WeakPolarHBondContact CB-O 3.48Å; S274-S278 PolarHBondContact N-O 3.39Å; S274-K280 PolarHBondContact OG-NZ 2.91Å
275K67.9Low87.8Confident135 Ų13575.6 Ų75.659%0.58739%0.386SS*.THydrogen-bonded Turntrans-59.6-20175.5-72.1-164.7169-171.10114G277 I326K275-G277 PolarHBondContact O-N 2.97Å; K275-I326 HydrophobicContact CD-CB 4.29Å; K275-I326 HydrophobicContact CD-CG2 4.23Å; K275-I326 HydrophobicContact CG-CG2 4.21Å
276D71.4Confident87.5Confident130 Ų13076.8 Ų76.870%0.69539%0.39SS*.THydrogen-bonded Turntrans-77.34.1174.2-46.2-47.6000112.7S274 S278S274-D276 PolarHBondContact O-N 3.33Å; D276-S278 PolarHBondContact O-N 3.44Å
277G75.8Confident87.3Confident60 Ų6072.4 Ų72.462%0.61938%0.375SS*.SBendtrans78.4-9.2-175.700000114.5S274 K275S274-G277 PolarHBondContact O-N 2.68Å; K275-G277 PolarHBondContact O-N 2.97Å
278S84Confident87.3Confident52 Ų5265.9 Ų65.936%0.36434%0.34SS..  trans-70.9131.3176.4470000111.8S274 D276S274-S278 WeakPolarHBondContact CB-O 3.48Å; S274-S278 PolarHBondContact N-O 3.39Å; D276-S278 PolarHBondContact O-N 3.44Å
279E88.1Confident87.1Confident134 Ų13471.4 Ų71.463%0.62636%0.364SS*.EExtended strand (participates in β ladder)trans-74.2133.8168.3-70.1-172.9172.700109.8K273K273-E279 WeakPolarHBondContact CE-OE1 3.34Å; K273-E279 HydrophobicContact CG-CG 4.14Å
280K89.9Confident86.8Confident76 Ų7670.7 Ų70.733%0.3336%0.359SS..EExtended strand (participates in β ladder)trans-125.7150.5177.1-70.8179.9179.7162.80109K271 Y272 S274K271-K280 WeakPolarHBondContact CA-O 3.45Å; Y272-K280 HydrophobicContact CD1-CB 4.27Å; Y272-K280 WeakPolarHBondContact CD1-O 3.42Å; Y272-K280 HydrophobicContact CE1-CB 3.73Å; Y272-K280 HydrophobicContact CE2-CB 4.02Å; Y272-K280 HydrophobicContact CE2-CD 4.13Å; Y272-K280 PolarHBondContact N-O 3.37Å; Y272-K280 PolarHBondContact O-N 3.29Å; S274-K280 PolarHBondContact OG-NZ 2.91Å
281E92.6Very high86.8Confident121 Ų12170.8 Ų70.857%0.56536%0.359SS*.EExtended strand (participates in β ladder)trans-117.8141.7178.7-55-170.6157.700109.4T269 Y270 K271T269-E281 HydrophobicContact CG2-CB 3.96Å; T269-E281 HydrophobicContact CG2-CG 4.47Å; Y270-E281 WeakPolarHBondContact O-CA 3.48Å; K271-E281 HydrophobicContact CD-CG 4.33Å; K271-E281 WeakPolarHBondContact CD-OE1 3.1Å; K271-E281 WeakPolarHBondContact CE-OE1 3.39Å; K271-E281 HydrophobicContact CG-CG 4.1Å; K271-E281 IonicContact NZ-OE1 3.75Å; K271-E281 PolarHBondContact NZ-OE1 2.82Å
282A92.9Very high86.7Confident15 Ų1566.8 Ų66.812%0.12435%0.349CS..EExtended strand (participates in β ladder)trans-134.8134.1175.500000109.8T269 Y270 Y272 V348T269-A282 WeakPolarHBondContact CA-O 3.41Å; Y270-A282 PolarHBondContact N-O 3.2Å; Y270-A282 PolarHBondContact O-N 2.83Å; Y272-A282 HydrophobicContact CE1-CB 4.1Å; A282-V348 HydrophobicContact CB-CB 4.26Å; A282-V348 HydrophobicContact CB-CG1 3.57Å; A282-V348 HydrophobicContact CB-CG2 3.59Å
283L92.4Very high86.8Confident94 Ų9472 Ų7249%0.49237%0.369SS..EExtended strand (participates in β ladder)trans-89.7124.9176.1-172.168.3000109.6D268 N285D268-L283 HydrophobicContact CB-CD1 4.03Å; D268-L283 WeakPolarHBondContact O-CA 3.48Å; L283-N285 WeakPolarHBondContact CD2-ND2 3.46Å; L283-N285 HydrophobicContact CG-CB 4.37Å; L283-N285 PolarHBondContact O-N 3.08Å
284L93.2Very high87.2Confident5 Ų565 Ų653%0.02634%0.338CS..  trans-93.290.6179.2-58.3179.4000109.7Y260 I265 D268 W291 V348 L352Y260-L284 HydrophobicContact CE2-CD1 4.27Å; I265-L284 HydrophobicContact CD1-CD1 3.77Å; I265-L284 HydrophobicContact CG2-CD1 4.4Å; D268-L284 PolarHBondContact O-N 3.13Å; L284-W291 HydrophobicContact CB-CD2 4.43Å; L284-W291 HydrophobicContact CB-CZ2 4.18Å; L284-W291 HydrophobicContact CD1-CH2 4.06Å; L284-W291 HydrophobicContact CD1-CZ2 4.32Å; L284-W291 HydrophobicContact CD1-CZ3 4.42Å; L284-W291 HydrophobicContact CD2-CE3 4.46Å; L284-V348 HydrophobicContact CD2-CG1 4.46Å; L284-L352 HydrophobicContact CD1-CD2 4.02Å; L284-L352 HydrophobicContact CD2-CD2 4.25Å
285N89.7Confident88.1Confident35 Ų3564.8 Ų64.819%0.18734%0.336CS..SBendtrans-139.1179-177.6744.9000112.1L283 D287 D288L283-N285 WeakPolarHBondContact CD2-ND2 3.46Å; L283-N285 HydrophobicContact CG-CB 4.37Å; L283-N285 PolarHBondContact O-N 3.08Å; N285-D287 PolarHBondContact ND2-OD2 3.08Å; N285-D287 PolarHBondContact O-N 3.5Å; N285-D287 WeakPolarHBondContact OD1-CB 3.46Å; N285-D287 PolarHBondContact OD1-N 3.32Å; N285-D288 PolarHBondContact O-N 3.24Å
286E88.6Confident89.4Confident46 Ų4660.2 Ų60.222%0.21532%0.316CS..THydrogen-bonded Turntrans-72.4-4.6-178.4-63.7-165.5137.800114.3K10 S142 R295K10-E286 WeakPolarHBondContact CD-OE2 3.4Å; S142-E286 WeakPolarHBondContact CB-OE1 3.44Å; S142-E286 VanDerWaalsContact N-CD 3.28Å; S142-E286 PolarHBondContact N-OE1 3.26Å; S142-E286 PolarHBondContact N-OE2 3.38Å; S142-E286 VanDerWaalsContact N-OE2 3.11Å; S142-E286 PolarHBondContact OG-OE1 3.49Å; E286-R295 IonicContact OE1-CZ 3.68Å; E286-R295 IonicContact OE1-NH1 2.64Å; E286-R295 PolarHBondContact OE1-NH1 2.64Å; E286-R295 IonicContact OE1-NH2 2.67Å; E286-R295 PolarHBondContact OE1-NH2 2.82Å
287D86.9Confident90.6Very high73 Ų7356 Ų5639%0.3929%0.292SS..THydrogen-bonded Turntrans-72.9-23.6170-62.1-50.3000112.2K49 N285 Q289K49-D287 WeakPolarHBondContact CE-OD1 3.31Å; K49-D287 WeakPolarHBondContact CE-OD2 3.36Å; K49-D287 IonicContact NZ-OD1 3.24Å; K49-D287 PolarHBondContact NZ-OD1 2.91Å; K49-D287 IonicContact NZ-OD2 3.03Å; N285-D287 PolarHBondContact ND2-OD2 3.08Å; N285-D287 PolarHBondContact O-N 3.5Å; N285-D287 WeakPolarHBondContact OD1-CB 3.46Å; N285-D287 PolarHBondContact OD1-N 3.32Å; D287-Q289 PolarHBondContact O-N 3Å
288D90.1Very high91.6Very high14 Ų1454.1 Ų54.18%0.07527%0.268CS..  trans-85.597.1168.5-163.4-24.8000109.9N285 L290 W291 A292 Q345 H349N285-D288 PolarHBondContact O-N 3.24Å; D288-L290 PolarHBondContact O-N 3.39Å; D288-L290 WeakPolarHBondContact OD1-CA 3.47Å; D288-L290 VanDerWaalsContact OD1-CB 3.22Å; D288-L290 WeakPolarHBondContact OD1-CB 3.46Å; D288-L290 PolarHBondContact OD1-N 3.36Å; D288-W291 HydrophobicContact CB-CB 3.83Å; D288-W291 WeakPolarHBondContact O-CB 3.28Å; D288-W291 PolarHBondContact O-N 2.81Å; D288-W291 VanDerWaalsContact O-N 3.11Å; D288-W291 PolarHBondContact OD1-N 2.88Å; D288-A292 PolarHBondContact O-N 2.85Å; D288-Q345 WeakPolarHBondContact OD2-CB 3.05Å; D288-Q345 VanDerWaalsContact OD2-CG 3.3Å; D288-Q345 WeakPolarHBondContact OD2-CG 3.39Å; D288-H349 IonicContact OD1-NE2 2.85Å; D288-H349 IonicContact OD2-CD2 3.53Å; D288-H349 IonicContact OD2-NE2 2.67Å; D288-H349 PolarHBondContact OD2-NE2 3.39Å
289Q87.3Confident92.1Very high166 Ų16651.9 Ų51.978%0.77625%0.252SS*.Hα-helixtrans-59.5-26.9176.2-65.6-178.7-5.900112.7D287 R293D287-Q289 PolarHBondContact O-N 3Å; Q289-R293 WeakPolarHBondContact O-CB 3.46Å; Q289-R293 PolarHBondContact O-N 3.3Å
290L90.1Very high92.3Very high21 Ų2147.5 Ų47.511%0.1124%0.238CC..Hα-helixtrans-71.6-44.3176.3-175.257.2000110.1D288 R293 L294 L309 K346 H349D288-L290 PolarHBondContact O-N 3.39Å; D288-L290 WeakPolarHBondContact OD1-CA 3.47Å; D288-L290 VanDerWaalsContact OD1-CB 3.22Å; D288-L290 WeakPolarHBondContact OD1-CB 3.46Å; D288-L290 PolarHBondContact OD1-N 3.36Å; L290-R293 PolarHBondContact O-N 3.21Å; L290-L294 HydrophobicContact CD1-CD1 3.54Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 3.75Å; L290-L294 HydrophobicContact CG-CG 4.41Å; L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 VanDerWaalsContact O-CG 3.29Å; L290-L294 WeakPolarHBondContact O-CG 3.09Å; L290-L294 PolarHBondContact O-N 2.97Å; L290-L309 HydrophobicContact CD1-CD1 3.55Å; L290-K346 HydrophobicContact CD2-CG 3.69Å; L290-H349 HydrophobicContact CD2-CB 4.48Å
291W94.2Very high92.5Very high3 Ų347 Ų471%0.01124%0.237CC..Hα-helixtrans-56.8-53.1172.4176.2-117.6000111.8Y255 Q256 Y260 L284 D288 R293 L294 R295 H349 L352Y255-W291 HydrophobicContact CD1-CE3 4.02Å; Y255-W291 AromaticContact CD1-CZ3 3.73Å; Y255-W291 HydrophobicContact CD1-CZ3 3.73Å; Y255-W291 AromaticContact CE1-CE3 3.68Å; Y255-W291 HydrophobicContact CE1-CE3 3.68Å; Y255-W291 AromaticContact CE1-CZ3 3.56Å; Y255-W291 HydrophobicContact CE1-CZ3 3.56Å; Y255-W291 HydrophobicContact CG-CZ3 4.43Å; Q256-W291 HydrophobicContact CB-CH2 3.76Å; Q256-W291 HydrophobicContact CB-CZ2 3.89Å; Q256-W291 HydrophobicContact CG-CH2 4.01Å; Q256-W291 HydrophobicContact CG-CZ2 3.75Å; Y260-W291 HydrophobicContact CE2-CH2 4.12Å; Y260-W291 AromaticContact CE2-CZ2 3.95Å; Y260-W291 HydrophobicContact CE2-CZ2 3.95Å; L284-W291 HydrophobicContact CB-CD2 4.43Å; L284-W291 HydrophobicContact CB-CZ2 4.18Å; L284-W291 HydrophobicContact CD1-CH2 4.06Å; L284-W291 HydrophobicContact CD1-CZ2 4.32Å; L284-W291 HydrophobicContact CD1-CZ3 4.42Å; L284-W291 HydrophobicContact CD2-CE3 4.46Å; D288-W291 HydrophobicContact CB-CB 3.83Å; D288-W291 WeakPolarHBondContact O-CB 3.28Å; D288-W291 PolarHBondContact O-N 2.81Å; D288-W291 VanDerWaalsContact O-N 3.11Å; D288-W291 PolarHBondContact OD1-N 2.88Å; W291-R293 PolarHBondContact O-N 3.35Å; W291-R293 VanDerWaalsContact O-N 3.16Å; W291-L294 PolarHBondContact O-N 2.83Å; W291-R295 HydrophobicContact CD2-CB 4.13Å; W291-R295 HydrophobicContact CE3-CB 4.33Å; W291-R295 HydrophobicContact CZ2-CB 4.26Å; W291-R295 VanDerWaalsContact O-CB 3.27Å; W291-R295 WeakPolarHBondContact O-CB 3.32Å; W291-R295 WeakPolarHBondContact O-CG 3.44Å; W291-R295 PolarHBondContact O-N 3.26Å; W291-H349 AromaticContact CE3-CE1 3.5Å; W291-H349 PolarHBondContact N-NE2 3.06Å; W291-L352 HydrophobicContact CZ3-CD2 4.22Å
292A92.6Very high92.5Very high38 Ų3841.3 Ų41.331%0.31421%0.21SC..Hα-helixtrans-57.9-33.2-17900000112.8D288D288-A292 PolarHBondContact O-N 2.85Å
293R91.7Very high92.4Very high136 Ų13642.4 Ų42.451%0.51322%0.217SC..Hα-helixtrans-75.7-39176.1-179.6177.7170.6-178.6-3.5113.1Q289 L290 W291Q289-R293 WeakPolarHBondContact O-CB 3.46Å; Q289-R293 PolarHBondContact O-N 3.3Å; L290-R293 PolarHBondContact O-N 3.21Å; W291-R293 PolarHBondContact O-N 3.35Å; W291-R293 VanDerWaalsContact O-N 3.16Å
294L94.4Very high92.2Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-91.9-25.5-171.6-64.5178.5000113.9Y255 L290 W291 H296 M297 V302 I306Y255-L294 HydrophobicContact CD1-CB 3.85Å; Y255-L294 HydrophobicContact CE1-CB 4.14Å; L290-L294 HydrophobicContact CD1-CD1 3.54Å; L290-L294 HydrophobicContact CD1-CG 3.92Å; L290-L294 HydrophobicContact CG-CD1 3.75Å; L290-L294 HydrophobicContact CG-CG 4.41Å; L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 VanDerWaalsContact O-CG 3.29Å; L290-L294 WeakPolarHBondContact O-CG 3.09Å; L290-L294 PolarHBondContact O-N 2.97Å; W291-L294 PolarHBondContact O-N 2.83Å; L294-H296 PolarHBondContact O-N 3.12Å; L294-M297 HydrophobicContact CD2-SD 4.02Å; L294-M297 WeakPolarHBondContact O-CB 3.37Å; L294-M297 PolarHBondContact O-N 2.83Å; L294-V302 HydrophobicContact CB-CG2 4.28Å; L294-V302 HydrophobicContact CD1-CG1 4.3Å; L294-V302 HydrophobicContact CD2-CG2 4.36Å; L294-I306 HydrophobicContact CD1-CD1 4.16Å; L294-I306 HydrophobicContact CD1-CG1 3.81Å
295R95.9Very high92Very high7 Ų745.5 Ų45.53%0.02623%0.229CC..THydrogen-bonded Turntrans-53.6-33.3-167.262.2171-173.2-153.6-10.2115.1E141 Q256 E286 W291 Y552E141-R295 VanDerWaalsContact CD-CZ 3.49Å; E141-R295 IonicContact OE1-CZ 2.94Å; E141-R295 IonicContact OE1-NE 3.56Å; E141-R295 IonicContact OE1-NH1 3.29Å; E141-R295 PolarHBondContact OE1-NH1 2.97Å; E141-R295 IonicContact OE2-CZ 2.77Å; E141-R295 IonicContact OE2-NE 3.65Å; E141-R295 IonicContact OE2-NH1 3.13Å; E141-R295 PolarHBondContact OE2-NH1 3.05Å; E141-R295 IonicContact OE2-NH2 2.74Å; Q256-R295 HydrophobicContact CB-CB 3.83Å; Q256-R295 VanDerWaalsContact CB-O 3.3Å; Q256-R295 WeakPolarHBondContact CB-O 3.25Å; Q256-R295 PolarHBondContact N-O 3.15Å; E286-R295 IonicContact OE1-CZ 3.68Å; E286-R295 IonicContact OE1-NH1 2.64Å; E286-R295 PolarHBondContact OE1-NH1 2.64Å; E286-R295 IonicContact OE1-NH2 2.67Å; E286-R295 PolarHBondContact OE1-NH2 2.82Å; W291-R295 HydrophobicContact CD2-CB 4.13Å; W291-R295 HydrophobicContact CE3-CB 4.33Å; W291-R295 HydrophobicContact CZ2-CB 4.26Å; W291-R295 VanDerWaalsContact O-CB 3.27Å; W291-R295 WeakPolarHBondContact O-CB 3.32Å; W291-R295 WeakPolarHBondContact O-CG 3.44Å; W291-R295 PolarHBondContact O-N 3.26Å; R295-Y552 VanDerWaalsContact NH2-CE1 3.32Å; R295-Y552 PolarHBondContact NH2-OH 3.44Å
296H96.4Very high91.7Very high38 Ų3844 Ų4418%0.17622%0.221CC..THydrogen-bonded Turntrans-98.70.2-177.9-62.8-36.9000114.1Q256 L294 R549 Y552Q256-H296 PolarHBondContact OE1-CE1 2.59Å; Q256-H296 VanDerWaalsContact OE1-CE1 3.32Å; L294-H296 PolarHBondContact O-N 3.12Å; H296-R549 HydrophobicContact CB-CG 3.97Å; H296-Y552 AromaticContact CD2-CD2 3.79Å; H296-Y552 AromaticContact CD2-CG 3.78Å; H296-Y552 AromaticContact CE1-CD2 3.72Å; H296-Y552 AromaticContact CE1-CE2 3.87Å; H296-Y552 AromaticContact NE2-CD2 3.11Å; H296-Y552 WeakPolarHBondContact NE2-CD2 3.32Å; H296-Y552 AromaticContact NE2-CE2 3.31Å; H296-Y552 VanDerWaalsContact NE2-CE2 3.31Å; H296-Y552 WeakPolarHBondContact NE2-CE2 3.34Å; H296-Y552 AromaticContact NE2-CG 3.52Å; H296-Y552 AromaticContact NE2-CZ 3.89Å
297M95.8Very high91.3Very high41 Ų4144.1 Ų44.120%0.20223%0.226CC..SBendtrans-82.6153.9178.2-57-166.46700111T254 Y255 L294 E301 V302T254-M297 CarbonylContact C-O 3.58Å; T254-M297 WeakPolarHBondContact CA-O 3.19Å; Y255-M297 PolarHBondContact N-O 3Å; L294-M297 HydrophobicContact CD2-SD 4.02Å; L294-M297 WeakPolarHBondContact O-CB 3.37Å; L294-M297 PolarHBondContact O-N 2.83Å; M297-E301 HydrophobicContact CE-CB 4.01Å; M297-E301 WeakPolarHBondContact CE-OE2 3.41Å; M297-V302 HydrophobicContact CB-CG2 3.72Å
298H96.2Very high91.2Very high21 Ų2146.1 Ų46.110%0.09723%0.231CC..BIsolated β-bridgetrans-67143.2173.8-171.5-97.4000110.9L253 A300 E301 V302 Y473L253-H298 WeakPolarHBondContact CB-NE2 3.44Å; H298-A300 WeakPolarHBondContact ND1-CB 3.38Å; H298-A300 PolarHBondContact ND1-N 3.24Å; H298-A300 PolarHBondContact O-N 3.49Å; H298-A300 VanDerWaalsContact O-N 3.14Å; H298-E301 PolarHBondContact O-N 3.46Å; H298-V302 PolarHBondContact O-N 3.33Å; H298-V302 VanDerWaalsContact O-N 3.11Å; H298-Y473 HydrophobicContact CB-CD2 4.13Å; H298-Y473 HydrophobicContact CB-CE2 3.58Å; H298-Y473 AromaticContact CD2-CD2 3.76Å; H298-Y473 AromaticContact CE1-CD1 3.69Å; H298-Y473 AromaticContact CE1-CE1 3.96Å; H298-Y473 AromaticContact CE1-CG 3.81Å; H298-Y473 AromaticContact CG-CD2 3.69Å; H298-Y473 AromaticContact CG-CE2 3.55Å; H298-Y473 AromaticContact CG-CZ 3.83Å; H298-Y473 AromaticContact ND1-CD1 3.78Å; H298-Y473 AromaticContact ND1-CD2 3.96Å; H298-Y473 AromaticContact ND1-CE1 3.59Å; H298-Y473 AromaticContact ND1-CE2 3.79Å; H298-Y473 AromaticContact ND1-CG 3.96Å; H298-Y473 AromaticContact ND1-CZ 3.61Å; H298-Y473 AromaticContact NE2-CG 3.86Å
299I94.9Very high90.6Very high6 Ų646.3 Ų46.33%0.03123%0.232CC..Hα-helixtrans-58.4-30.9-174.5-17064000113.4L253 Y255 M258 V302 S303 T353 C356 M357L253-I299 HydrophobicContact CB-CG2 4.31Å; L253-I299 WeakPolarHBondContact O-CB 3.32Å; L253-I299 WeakPolarHBondContact O-CG2 3.36Å; L253-I299 PolarHBondContact O-N 3.33Å; Y255-I299 HydrophobicContact CD2-CD1 3.88Å; Y255-I299 HydrophobicContact CE2-CD1 4.44Å; M258-I299 HydrophobicContact CE-CG1 4.38Å; M258-I299 HydrophobicContact SD-CB 3.72Å; M258-I299 HydrophobicContact SD-CD1 4.12Å; M258-I299 HydrophobicContact SD-CG1 3.66Å; M258-I299 HydrophobicContact SD-CG2 3.87Å; I299-V302 PolarHBondContact O-N 3.5Å; I299-S303 WeakPolarHBondContact O-CB 3.25Å; I299-S303 PolarHBondContact O-N 3.02Å; I299-S303 PolarHBondContact O-OG 3.44Å; I299-T353 HydrophobicContact CD1-CG2 3.95Å; I299-C356 HydrophobicContact CD1-CB 4.24Å; I299-M357 HydrophobicContact CG1-CG 4.28Å; I299-M357 HydrophobicContact CG1-SD 3.64Å; I299-M357 HydrophobicContact CG2-SD 4.32Å
300A92.7Very high89.9Confident41 Ų4138.8 Ų38.834%0.33920%0.197SC..Hα-helixtrans-61.7-45175.400000111.6H298 S303 E304 Y473H298-A300 WeakPolarHBondContact ND1-CB 3.38Å; H298-A300 PolarHBondContact ND1-N 3.24Å; H298-A300 PolarHBondContact O-N 3.49Å; H298-A300 VanDerWaalsContact O-N 3.14Å; A300-S303 PolarHBondContact O-N 2.95Å; A300-E304 PolarHBondContact O-N 2.89Å; A300-Y473 HydrophobicContact CB-CE1 4.16Å
301E93.6Very high89.1Confident67 Ų6742.4 Ų42.431%0.31321%0.212SC..Hα-helixtrans-69.4-39.6178.4-60.8175-141.900111.4M297 H298 S303 E304 Q305 Y473M297-E301 HydrophobicContact CE-CB 4.01Å; M297-E301 WeakPolarHBondContact CE-OE2 3.41Å; H298-E301 PolarHBondContact O-N 3.46Å; E301-S303 VanDerWaalsContact C-N 3.35Å; E301-E304 PolarHBondContact O-N 3.3Å; E301-Q305 WeakPolarHBondContact O-CB 3.31Å; E301-Q305 WeakPolarHBondContact O-CG 3.05Å; E301-Q305 PolarHBondContact O-N 3.48Å; E301-Y473 VanDerWaalsContact CD-OH 3.32Å; E301-Y473 WeakPolarHBondContact CG-OH 3.19Å; E301-Y473 PolarHBondContact OE1-OH 2.82Å
302V93.7Very high88.2Confident0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-62-44.5177.5174.30000111.1Y255 L294 M297 H298 I299 E304 Q305 I306 T353Y255-V302 HydrophobicContact CD1-CG1 4.17Å; Y255-V302 HydrophobicContact CD1-CG2 4.42Å; Y255-V302 HydrophobicContact CD2-CG1 4.15Å; Y255-V302 HydrophobicContact CE1-CG1 4.26Å; Y255-V302 HydrophobicContact CE2-CG1 4.25Å; Y255-V302 HydrophobicContact CG-CG1 4.11Å; Y255-V302 HydrophobicContact CG-CG2 4.2Å; L294-V302 HydrophobicContact CB-CG2 4.28Å; L294-V302 HydrophobicContact CD1-CG1 4.3Å; L294-V302 HydrophobicContact CD2-CG2 4.36Å; M297-V302 HydrophobicContact CB-CG2 3.72Å; H298-V302 PolarHBondContact O-N 3.33Å; H298-V302 VanDerWaalsContact O-N 3.11Å; I299-V302 PolarHBondContact O-N 3.5Å; V302-E304 PolarHBondContact O-N 2.85Å; V302-Q305 PolarHBondContact O-N 3.31Å; V302-I306 HydrophobicContact CG1-CD1 3.44Å; V302-I306 VanDerWaalsContact CG1-CD1 3.44Å; V302-I306 HydrophobicContact CG1-CG1 4.1Å; V302-I306 WeakPolarHBondContact O-CG1 3.16Å; V302-I306 PolarHBondContact O-N 2.83Å; V302-T353 HydrophobicContact CG1-CG2 4.42Å
303S89.5Confident87Confident39 Ų3947 Ų4727%0.27323%0.228SC..Hα-helixtrans-60.6-31.5177.1-61.10000112.7I299 A300 E301 P307 T353I299-S303 WeakPolarHBondContact O-CB 3.25Å; I299-S303 PolarHBondContact O-N 3.02Å; I299-S303 PolarHBondContact O-OG 3.44Å; A300-S303 PolarHBondContact O-N 2.95Å; E301-S303 VanDerWaalsContact C-N 3.35Å; S303-P307 WeakPolarHBondContact O-CD 3.21Å; S303-P307 WeakPolarHBondContact O-CG 3.46Å; S303-T353 VanDerWaalsContact OG-CG2 3.31Å; S303-T353 WeakPolarHBondContact OG-CG2 3.5Å
304E89.6Confident85.6Confident121 Ų12141.9 Ų41.957%0.56521%0.213SC*.Hα-helixtrans-80.7-36.9173.7-71.1-167.9-167.200113.9A300 E301 V302 K308A300-E304 PolarHBondContact O-N 2.89Å; E301-E304 PolarHBondContact O-N 3.3Å; V302-E304 PolarHBondContact O-N 2.85Å; E304-K308 WeakPolarHBondContact O-CD 3.41Å; E304-K308 WeakPolarHBondContact O-CG 3.45Å; E304-K308 IonicContact OE2-NZ 3.81Å; E304-K308 PolarHBondContact OE2-NZ 2.69Å
305Q88.1Confident83.9Confident43 Ų4345.3 Ų45.320%0.20124%0.241CC..Hα-helixtrans-76.5-40.4-173.9-76.9-171.242.500113.1E301 V302 K308 L309E301-Q305 WeakPolarHBondContact O-CB 3.31Å; E301-Q305 WeakPolarHBondContact O-CG 3.05Å; E301-Q305 PolarHBondContact O-N 3.48Å; V302-Q305 PolarHBondContact O-N 3.31Å; Q305-K308 WeakPolarHBondContact O-CB 3.42Å; Q305-K308 PolarHBondContact O-N 2.81Å; Q305-K308 VanDerWaalsContact O-N 3.13Å; Q305-L309 WeakPolarHBondContact O-CG 3.46Å; Q305-L309 PolarHBondContact O-N 3.01Å
306I83.4Confident82.2Confident2 Ų251.7 Ų51.71%0.0128%0.276CS..Hα-helixtrans-57.7-48.6-176.7-69.4168000111.7L294 V302 K308 L309 V310 H349 L350 T353L294-I306 HydrophobicContact CD1-CD1 4.16Å; L294-I306 HydrophobicContact CD1-CG1 3.81Å; V302-I306 HydrophobicContact CG1-CD1 3.44Å; V302-I306 VanDerWaalsContact CG1-CD1 3.44Å; V302-I306 HydrophobicContact CG1-CG1 4.1Å; V302-I306 WeakPolarHBondContact O-CG1 3.16Å; V302-I306 PolarHBondContact O-N 2.83Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 2.99Å; I306-L309 PolarHBondContact O-N 3.13Å; I306-V310 WeakPolarHBondContact O-CG2 3.28Å; I306-V310 PolarHBondContact O-N 2.85Å; I306-H349 HydrophobicContact CD1-CB 3.87Å; I306-H349 HydrophobicContact CG1-CB 4.49Å; I306-L350 HydrophobicContact CG2-CB 4.08Å; I306-L350 HydrophobicContact CG2-CD1 4.06Å; I306-T353 HydrophobicContact CD1-CG2 4.48Å; I306-T353 WeakPolarHBondContact CD1-OG1 3.43Å
307P81.2Confident80.2Confident50 Ų5058.1 Ų58.133%0.32530%0.303SS..Hα-helixtrans-60.8-39.3176.4-24.535.1000113.2S303 V310 K311S303-P307 WeakPolarHBondContact O-CD 3.21Å; S303-P307 WeakPolarHBondContact O-CG 3.46Å; P307-V310 PolarHBondContact O-N 3.2Å; P307-K311 WeakPolarHBondContact O-CG 3.47Å; P307-K311 PolarHBondContact O-N 3.01Å
308K83.2Confident78.1Confident115 Ų11566.3 Ų66.350%0.534%0.338SS..Hα-helixtrans-61.6-46.9177.1-67.9170-172.2165.50110.7E304 Q305 I306 V310 K311 E312E304-K308 WeakPolarHBondContact O-CD 3.41Å; E304-K308 WeakPolarHBondContact O-CG 3.45Å; E304-K308 IonicContact OE2-NZ 3.81Å; E304-K308 PolarHBondContact OE2-NZ 2.69Å; Q305-K308 WeakPolarHBondContact O-CB 3.42Å; Q305-K308 PolarHBondContact O-N 2.81Å; Q305-K308 VanDerWaalsContact O-N 3.13Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 2.99Å; K308-V310 VanDerWaalsContact C-N 3.28Å; K308-V310 PolarHBondContact O-N 2.81Å; K308-K311 WeakPolarHBondContact O-CB 3.33Å; K308-K311 PolarHBondContact O-N 3.08Å; K308-K311 VanDerWaalsContact O-N 3.08Å; K308-E312 PolarHBondContact O-N 2.88Å; K308-E312 VanDerWaalsContact O-N 3.09Å
309L78.4Confident76Confident18 Ų1871.3 Ų71.39%0.09436%0.361CS..Hα-helixtrans-62.4-35.1176.5-67.7171.4000111.9L290 Q305 I306 K346L290-L309 HydrophobicContact CD1-CD1 3.55Å; Q305-L309 WeakPolarHBondContact O-CG 3.46Å; Q305-L309 PolarHBondContact O-N 3.01Å; I306-L309 PolarHBondContact O-N 3.13Å; L309-K346 PolarHBondContact O-NZ 2.86Å
310V72.9Confident73.8Confident7 Ų777 Ų774%0.04240%0.398CS..Hα-helixtrans-68.3-40.7173.8177.30000111.3I306 P307 K308 E312 I313 S314 I324 L329 K346I306-V310 WeakPolarHBondContact O-CG2 3.28Å; I306-V310 PolarHBondContact O-N 2.85Å; P307-V310 PolarHBondContact O-N 3.2Å; K308-V310 VanDerWaalsContact C-N 3.28Å; K308-V310 PolarHBondContact O-N 2.81Å; V310-E312 VanDerWaalsContact C-N 3.3Å; V310-E312 PolarHBondContact O-N 3.41Å; V310-I313 PolarHBondContact O-N 3.14Å; V310-S314 PolarHBondContact O-N 3.45Å; V310-I324 HydrophobicContact CB-CD1 3.93Å; V310-I324 HydrophobicContact CB-CG2 4.39Å; V310-I324 HydrophobicContact CG1-CD1 3.72Å; V310-I324 HydrophobicContact CG1-CG1 4.34Å; V310-I324 HydrophobicContact CG1-CG2 3.58Å; V310-L329 HydrophobicContact CG1-CD1 4.18Å; V310-L329 HydrophobicContact CG1-CD2 3.27Å; V310-L329 HydrophobicContact CG1-CG 4.1Å; V310-L329 HydrophobicContact CG2-CD1 4.44Å; V310-K346 HydrophobicContact CG2-CB 3.87Å; V310-K346 HydrophobicContact CG2-CD 4Å; V310-K346 HydrophobicContact CG2-CG 4.33Å
311K73.5Confident71.8Confident98 Ų9882.4 Ų82.443%0.42642%0.422SS..Hα-helixtrans-59.4-38.2176-73.5-169.5177.4-1660112.5P307 K308 I313 S314 A315 I324P307-K311 WeakPolarHBondContact O-CG 3.47Å; P307-K311 PolarHBondContact O-N 3.01Å; K308-K311 WeakPolarHBondContact O-CB 3.33Å; K308-K311 PolarHBondContact O-N 3.08Å; K308-K311 VanDerWaalsContact O-N 3.08Å; K311-I313 PolarHBondContact O-N 3.07Å; K311-S314 WeakPolarHBondContact CA-OG 3.49Å; K311-S314 CarbonylContact O-C 3.45Å; K311-S314 PolarHBondContact O-N 2.89Å; K311-S314 PolarHBondContact O-OG 2.86Å; K311-A315 VanDerWaalsContact O-CB 3.25Å; K311-A315 WeakPolarHBondContact O-CB 3.39Å; K311-A315 PolarHBondContact O-N 2.63Å; K311-I324 HydrophobicContact CB-CD1 4.05Å; K311-I324 HydrophobicContact CD-CD1 4.25Å; K311-I324 HydrophobicContact CG-CD1 3.13Å; K311-I324 HydrophobicContact CG-CG1 4.19Å
312E73.8Confident70Confident117 Ų11781.5 Ų81.555%0.54743%0.43SS..Hα-helixtrans-59.7-34.7179.1-72.1171.9-176.200112.7K308 V310K308-E312 PolarHBondContact O-N 2.88Å; K308-E312 VanDerWaalsContact O-N 3.09Å; V310-E312 VanDerWaalsContact C-N 3.3Å; V310-E312 PolarHBondContact O-N 3.41Å
313I68.6Low68.3Low19 Ų1991.1 Ų91.110%0.09747%0.472CS..Hα-helixtrans-68.7-38175.3-63.7-177000110.9V310 K311 L332 M336 Q342 V343 K346V310-I313 PolarHBondContact O-N 3.14Å; K311-I313 PolarHBondContact O-N 3.07Å; I313-L332 HydrophobicContact CG2-CD2 4.03Å; I313-M336 HydrophobicContact CG2-CE 4.07Å; I313-Q342 HydrophobicContact CD1-CB 4.13Å; I313-V343 HydrophobicContact CD1-CG2 4.24Å; I313-V343 HydrophobicContact CG2-CG2 4.41Å; I313-K346 HydrophobicContact CD1-CD 3.6Å; I313-K346 HydrophobicContact CG1-CD 4.49Å; I313-K346 VanDerWaalsContact CG1-NZ 3.32Å
314S61.8Low67Low30 Ų3091.9 Ų91.921%0.2147%0.473CS..Hα-helixtrans-79.9-33.3-179.8580000113.6V310 K311 N316 K317V310-S314 PolarHBondContact O-N 3.45Å; K311-S314 WeakPolarHBondContact CA-OG 3.49Å; K311-S314 CarbonylContact O-C 3.45Å; K311-S314 PolarHBondContact O-N 2.89Å; K311-S314 PolarHBondContact O-OG 2.86Å; S314-N316 VanDerWaalsContact C-N 3.3Å; S314-N316 PolarHBondContact O-N 3.05Å; S314-K317 PolarHBondContact O-N 3.42Å
315A59.4Low65.9Low72 Ų7289.2 Ų89.260%0.59547%0.465SS*.Hα-helixtrans-68.6-26.9-175.900000113K311 K317K311-A315 VanDerWaalsContact O-CB 3.25Å; K311-A315 WeakPolarHBondContact O-CB 3.39Å; K311-A315 PolarHBondContact O-N 2.63Å; A315-K317 PolarHBondContact O-N 3.21Å
316N59.5Low64.8Low140 Ų14088 Ų8875%0.74946%0.46SS*.THydrogen-bonded Turntrans-58.7-8.1174.8-88.1-21.6000114.3S314S314-N316 VanDerWaalsContact C-N 3.3Å; S314-N316 PolarHBondContact O-N 3.05Å
317K54.6Low63.9Low174 Ų17490.7 Ų90.776%0.75748%0.478SS*.THydrogen-bonded Turntrans-147.555.9174.8-71.9-162.9175.6-176.40116.4S314 A315 Q319S314-K317 PolarHBondContact O-N 3.42Å; A315-K317 PolarHBondContact O-N 3.21Å; K317-Q319 PolarHBondContact O-N 3.09Å; K317-Q319 VanDerWaalsContact O-N 3.14Å
318K51.3Low63.3Low212 Ų21289.7 Ų89.792%0.92248%0.477SS*.  trans46.650.6161.1-62.8-176.1176.7-178.20114.8
319Q52.3Low62.5Low127 Ų12784.6 Ų84.659%0.59346%0.455SS*.  trans-89.6145.4163.4-83.6-160.9-10.200110.4K317K317-Q319 PolarHBondContact O-N 3.09Å; K317-Q319 VanDerWaalsContact O-N 3.14Å
320P49Very low62.2Low124 Ų12485.3 Ų85.381%0.80546%0.462SS*.  trans-64.4153.5178.927.1-32.3000111G322P320-G322 PolarHBondContact O-N 3.13Å
321D50.3Low62Low155 Ų15590.7 Ų90.783%0.82949%0.487SS*.  trans-69.361.8-171.1-137.5-10.1000112.7
322G56.9Low61.8Low48 Ų4887 Ų8750%0.49547%0.472SS..PPolyproline II helixtrans-85.8149.2176.600000112.1P320 I324P320-G322 PolarHBondContact O-N 3.13Å; G322-I324 PolarHBondContact O-N 3.21Å
323K57.8Low61.7Low202 Ų20283.6 Ų83.688%0.87846%0.456SS*.PPolyproline II helixtrans-56.2122.5167.9-78.1-174.5177.5-178.40109.3T325K323-T325 PolarHBondContact O-N 3.11Å
324I62.3Low62Low56 Ų5691.7 Ų91.729%0.28749%0.491SS..PPolyproline II helixtrans-64.6123.2174.2-66.9164.3000108V310 K311 G322 L329V310-I324 HydrophobicContact CB-CD1 3.93Å; V310-I324 HydrophobicContact CB-CG2 4.39Å; V310-I324 HydrophobicContact CG1-CD1 3.72Å; V310-I324 HydrophobicContact CG1-CG1 4.34Å; V310-I324 HydrophobicContact CG1-CG2 3.58Å; K311-I324 HydrophobicContact CB-CD1 4.05Å; K311-I324 HydrophobicContact CD-CD1 4.25Å; K311-I324 HydrophobicContact CG-CD1 3.13Å; K311-I324 HydrophobicContact CG-CG1 4.19Å; G322-I324 PolarHBondContact O-N 3.21Å; I324-L329 HydrophobicContact CG2-CD1 4.41Å; I324-L329 HydrophobicContact CG2-CG 4.3Å
325T64.9Low62.5Low65 Ų6597.5 Ų97.540%0.39951%0.512SS..  trans-120.5152.5174.1520000109.1K323 S327 G328 L329K323-T325 PolarHBondContact O-N 3.11Å; T325-S327 PolarHBondContact O-N 2.89Å; T325-S327 VanDerWaalsContact O-N 3.14Å; T325-S327 PolarHBondContact OG1-OG 3.21Å; T325-S327 VanDerWaalsContact OG1-OG 3.06Å; T325-G328 WeakPolarHBondContact O-CA 3.17Å; T325-G328 PolarHBondContact O-N 2.87Å; T325-G328 PolarHBondContact OG1-N 3.44Å; T325-L329 PolarHBondContact O-N 2.99Å; T325-L329 VanDerWaalsContact O-N 3.11Å
326I66.8Low63Low18 Ų1896.4 Ų96.49%0.09250%0.495CS..Hα-helixtrans-54.2-32.5175.6-65.2162.2000111.6K275 L329 S330 L350 N351K275-I326 HydrophobicContact CD-CB 4.29Å; K275-I326 HydrophobicContact CD-CG2 4.23Å; K275-I326 HydrophobicContact CG-CG2 4.21Å; I326-L329 PolarHBondContact O-N 3.48Å; I326-S330 PolarHBondContact O-N 2.84Å; I326-S330 PolarHBondContact O-OG 3.07Å; I326-L350 HydrophobicContact CD1-CD2 4.47Å; I326-L350 HydrophobicContact CG1-CD2 3.69Å; I326-N351 WeakPolarHBondContact CD1-OD1 3.44Å
327S62.8Low63.7Low57 Ų5794 Ų9440%0.39949%0.487SS..Hα-helixtrans-66.4-38.9174.344.20000112.6T325 L329 S330 Q331T325-S327 PolarHBondContact O-N 2.89Å; T325-S327 VanDerWaalsContact O-N 3.14Å; T325-S327 PolarHBondContact OG1-OG 3.21Å; T325-S327 VanDerWaalsContact OG1-OG 3.06Å; S327-L329 VanDerWaalsContact C-N 3.32Å; S327-S330 PolarHBondContact O-N 2.95Å; S327-Q331 WeakPolarHBondContact O-CG 3.32Å; S327-Q331 PolarHBondContact O-N 2.91Å; S327-Q331 VanDerWaalsContact O-N 3.14Å
328G68.5Low64.7Low30 Ų3094.3 Ų94.331%0.30949%0.491SS..Hα-helixtrans-61.4-39.8171.300000112.3T325 Q331 L332T325-G328 WeakPolarHBondContact O-CA 3.17Å; T325-G328 PolarHBondContact O-N 2.87Å; T325-G328 PolarHBondContact OG1-N 3.44Å; G328-Q331 PolarHBondContact O-N 3.03Å; G328-L332 VanDerWaalsContact O-CB 3.23Å; G328-L332 WeakPolarHBondContact O-CB 3.49Å; G328-L332 PolarHBondContact O-N 3.05Å
329L68Low65.7Low7 Ų788.1 Ų88.14%0.03746%0.464CS..Hα-helixtrans-65.3-44.5176.7-73.1172.8000112.7V310 I324 T325 I326 S327 Q331 L332 M333 V343 L350V310-L329 HydrophobicContact CG1-CD1 4.18Å; V310-L329 HydrophobicContact CG1-CD2 3.27Å; V310-L329 HydrophobicContact CG1-CG 4.1Å; V310-L329 HydrophobicContact CG2-CD1 4.44Å; I324-L329 HydrophobicContact CG2-CD1 4.41Å; I324-L329 HydrophobicContact CG2-CG 4.3Å; T325-L329 PolarHBondContact O-N 2.99Å; T325-L329 VanDerWaalsContact O-N 3.11Å; I326-L329 PolarHBondContact O-N 3.48Å; S327-L329 VanDerWaalsContact C-N 3.32Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; L329-Q331 PolarHBondContact O-N 3.5Å; L329-L332 CarbonylContact O-C 3.48Å; L329-L332 WeakPolarHBondContact O-CB 3.46Å; L329-L332 PolarHBondContact O-N 3.09Å; L329-L332 VanDerWaalsContact O-N 3.12Å; L329-M333 WeakPolarHBondContact O-CG 3.28Å; L329-M333 PolarHBondContact O-N 3.05Å; L329-V343 HydrophobicContact CB-CG1 4.26Å; L329-V343 HydrophobicContact CD2-CG1 3.99Å; L329-L350 HydrophobicContact CD1-CD2 3.94Å
330S70.4Confident67Low33 Ų3389.9 Ų89.923%0.23147%0.465CS..Hα-helixtrans-61.9-39176-66.90000112.8I326 S327 L332 M333 K334I326-S330 PolarHBondContact O-N 2.84Å; I326-S330 PolarHBondContact O-OG 3.07Å; S327-S330 PolarHBondContact O-N 2.95Å; S330-L332 VanDerWaalsContact C-N 3.34Å; S330-M333 PolarHBondContact O-N 3.19Å; S330-K334 PolarHBondContact O-N 2.73Å
331Q70.6Confident68.6Low121 Ų12190.7 Ų90.757%0.56546%0.456SS*.Hα-helixtrans-67.2-37.5173.2-71.4-178.5-0.800111.9S327 G328 L329 K334 K335S327-Q331 WeakPolarHBondContact O-CG 3.32Å; S327-Q331 PolarHBondContact O-N 2.91Å; S327-Q331 VanDerWaalsContact O-N 3.14Å; G328-Q331 PolarHBondContact O-N 3.03Å; L329-Q331 VanDerWaalsContact C-N 3.34Å; L329-Q331 PolarHBondContact O-N 3.5Å; Q331-K334 PolarHBondContact O-N 2.96Å; Q331-K335 WeakPolarHBondContact O-CG 3.22Å; Q331-K335 PolarHBondContact O-N 3.41Å
332L68.4Low70Confident21 Ų2187.5 Ų87.511%0.1144%0.436CS..Hα-helixtrans-66.5-36.1177.6-169.6138.2000111.6I313 G328 L329 S330 K334 K335 M336 V343I313-L332 HydrophobicContact CG2-CD2 4.03Å; G328-L332 VanDerWaalsContact O-CB 3.23Å; G328-L332 WeakPolarHBondContact O-CB 3.49Å; G328-L332 PolarHBondContact O-N 3.05Å; L329-L332 CarbonylContact O-C 3.48Å; L329-L332 WeakPolarHBondContact O-CB 3.46Å; L329-L332 PolarHBondContact O-N 3.09Å; L329-L332 VanDerWaalsContact O-N 3.12Å; S330-L332 VanDerWaalsContact C-N 3.34Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 2.67Å; L332-K335 PolarHBondContact O-N 2.91Å; L332-M336 HydrophobicContact CD1-CE 3.64Å; L332-M336 HydrophobicContact CD2-CE 3.41Å; L332-M336 VanDerWaalsContact CD2-CE 3.41Å; L332-M336 HydrophobicContact CG-CE 3.36Å; L332-M336 WeakPolarHBondContact O-CB 3.45Å; L332-M336 PolarHBondContact O-N 3.02Å; L332-V343 HydrophobicContact CD2-CB 4.42Å; L332-V343 HydrophobicContact CD2-CG1 4.14Å; L332-V343 HydrophobicContact CD2-CG2 3.39Å
333M70.9Confident71.2Confident44 Ų4485.2 Ų85.222%0.21741%0.413CS..Hα-helixtrans-59.6-40.7170.1-69.118071.700112.6L329 S330 R340 V343 A344L329-M333 WeakPolarHBondContact O-CG 3.28Å; L329-M333 PolarHBondContact O-N 3.05Å; S330-M333 PolarHBondContact O-N 3.19Å; M333-R340 HydrophobicContact CE-CG 3.73Å; M333-V343 HydrophobicContact CG-CB 3.8Å; M333-V343 HydrophobicContact CG-CG1 3.32Å; M333-V343 HydrophobicContact SD-CG1 4.18Å; M333-A344 HydrophobicContact CE-CB 4.08Å
334K75.2Confident72.4Confident190 Ų19077.2 Ų77.283%0.82638%0.384SS*.Hα-helixtrans-69-38177.8-69.3-178.8180-1790111.9S330 Q331 L332S330-K334 PolarHBondContact O-N 2.73Å; Q331-K334 PolarHBondContact O-N 2.96Å; L332-K334 VanDerWaalsContact C-N 3.33Å; L332-K334 PolarHBondContact O-N 2.67Å
335K73.1Confident73.5Confident152 Ų15276.5 Ų76.566%0.66138%0.38SS*.Hα-helixtrans-80.7-20.5-179-70-179178.7-179.50113.7Q331 L332Q331-K335 WeakPolarHBondContact O-CG 3.22Å; Q331-K335 PolarHBondContact O-N 3.41Å; L332-K335 PolarHBondContact O-N 2.91Å
336M69.1Low74.6Confident49 Ų4974.4 Ų74.424%0.24137%0.365CS..  trans-132.978.8-174.6-65.5-156.6-76.900112.6I313 L332 H338 F339 R340I313-M336 HydrophobicContact CG2-CE 4.07Å; L332-M336 HydrophobicContact CD1-CE 3.64Å; L332-M336 HydrophobicContact CD2-CE 3.41Å; L332-M336 VanDerWaalsContact CD2-CE 3.41Å; L332-M336 HydrophobicContact CG-CE 3.36Å; L332-M336 WeakPolarHBondContact O-CB 3.45Å; L332-M336 PolarHBondContact O-N 3.02Å; M336-H338 VanDerWaalsContact C-N 3.28Å; M336-H338 PolarHBondContact O-N 3.5Å; M336-F339 HydrophobicContact CB-CB 4.41Å; M336-F339 HydrophobicContact CB-CD2 4.3Å; M336-F339 PolarHBondContact O-N 3.03Å; M336-F339 VanDerWaalsContact O-N 3.16Å; M336-F339 HydrophobicContact SD-CD2 4.05Å; M336-R340 PolarHBondContact O-N 2.81Å
337P73.6Confident75.5Confident89 Ų8974.1 Ų74.158%0.57836%0.364SS*.G310 helixtrans-61.4-32.9-17921.2-30.9000113.4F339 R340P337-F339 VanDerWaalsContact C-N 3.28Å; P337-F339 PolarHBondContact O-N 3.17Å; P337-R340 VanDerWaalsContact O-CB 3.24Å; P337-R340 WeakPolarHBondContact O-CB 3.47Å; P337-R340 PolarHBondContact O-N 3.27Å
338H75.9Confident76.9Confident180 Ų18071.9 Ų71.983%0.83335%0.348SS*.G310 helixtrans-65.2-27.1177.8-61.8-70000113.8M336M336-H338 VanDerWaalsContact C-N 3.28Å; M336-H338 PolarHBondContact O-N 3.5Å
339F73.9Confident78Confident83 Ų8370.5 Ų70.536%0.36433%0.334SS..G310 helixtrans-100.55.2178.4-68.3-77.5000113.1M336 P337 K341 Q342 V343M336-F339 HydrophobicContact CB-CB 4.41Å; M336-F339 HydrophobicContact CB-CD2 4.3Å; M336-F339 PolarHBondContact O-N 3.03Å; M336-F339 VanDerWaalsContact O-N 3.16Å; M336-F339 HydrophobicContact SD-CD2 4.05Å; P337-F339 VanDerWaalsContact C-N 3.28Å; P337-F339 PolarHBondContact O-N 3.17Å; F339-K341 VanDerWaalsContact C-N 3.26Å; F339-K341 PolarHBondContact O-N 3.29Å; F339-K341 VanDerWaalsContact O-N 3.16Å; F339-Q342 PolarHBondContact O-N 3.11Å; F339-Q342 VanDerWaalsContact O-N 3.07Å; F339-V343 HydrophobicContact CB-CG2 4.24Å; F339-V343 VanDerWaalsContact O-CG2 3.31Å; F339-V343 WeakPolarHBondContact O-CG2 3.36Å; F339-V343 PolarHBondContact O-N 3.16Å
340R78.6Confident79.1Confident163 Ų16371.8 Ų71.862%0.61534%0.341SS*.Hα-helixtrans-54.1-41.1-173.2-172.6177.8178.5177.9-0.4112.9M333 M336 P337 A344M333-R340 HydrophobicContact CE-CG 3.73Å; M336-R340 PolarHBondContact O-N 2.81Å; P337-R340 VanDerWaalsContact O-CB 3.24Å; P337-R340 WeakPolarHBondContact O-CB 3.47Å; P337-R340 PolarHBondContact O-N 3.27Å; R340-A344 VanDerWaalsContact O-CB 3.29Å; R340-A344 WeakPolarHBondContact O-CB 3.3Å; R340-A344 PolarHBondContact O-N 2.99Å
341K82.8Confident80.1Confident141 Ų14171 Ų7161%0.61333%0.334SS*.Hα-helixtrans-62-51.1177.1-173.7-178.7177.9-174.90111.7F339 V343 A344 Q345F339-K341 VanDerWaalsContact C-N 3.26Å; F339-K341 PolarHBondContact O-N 3.29Å; F339-K341 VanDerWaalsContact O-N 3.16Å; K341-V343 VanDerWaalsContact C-N 3.32Å; K341-V343 PolarHBondContact O-N 2.59Å; K341-A344 PolarHBondContact O-N 3.05Å; K341-Q345 WeakPolarHBondContact O-CG 3.21Å; K341-Q345 PolarHBondContact O-N 3.45Å
342Q80.6Confident81.2Confident89 Ų8965.3 Ų65.342%0.41631%0.307SS..Hα-helixtrans-64-38.8-178.6-64.1-176.127.700112.1I313 F339 K346I313-Q342 HydrophobicContact CD1-CB 4.13Å; F339-Q342 PolarHBondContact O-N 3.11Å; F339-Q342 VanDerWaalsContact O-N 3.07Å; Q342-K346 WeakPolarHBondContact O-CB 3.49Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 3.45Å
343V80.3Confident82.4Confident0 Ų064.7 Ų64.70%030%0.304CS..Hα-helixtrans-69.7-37.9178-1790000110.9I313 L329 L332 M333 F339 K341 T347I313-V343 HydrophobicContact CD1-CG2 4.24Å; I313-V343 HydrophobicContact CG2-CG2 4.41Å; L329-V343 HydrophobicContact CB-CG1 4.26Å; L329-V343 HydrophobicContact CD2-CG1 3.99Å; L332-V343 HydrophobicContact CD2-CB 4.42Å; L332-V343 HydrophobicContact CD2-CG1 4.14Å; L332-V343 HydrophobicContact CD2-CG2 3.39Å; M333-V343 HydrophobicContact CG-CB 3.8Å; M333-V343 HydrophobicContact CG-CG1 3.32Å; M333-V343 HydrophobicContact SD-CG1 4.18Å; F339-V343 HydrophobicContact CB-CG2 4.24Å; F339-V343 VanDerWaalsContact O-CG2 3.31Å; F339-V343 WeakPolarHBondContact O-CG2 3.36Å; F339-V343 PolarHBondContact O-N 3.16Å; K341-V343 VanDerWaalsContact C-N 3.32Å; K341-V343 PolarHBondContact O-N 2.59Å; V343-T347 WeakPolarHBondContact O-CB 3.43Å; V343-T347 PolarHBondContact O-N 2.92Å; V343-T347 PolarHBondContact O-OG1 3.21Å
344A83.9Confident83.4Confident34 Ų3467.2 Ų67.228%0.28132%0.315SS..Hα-helixtrans-62-49.3174.700000111.4M333 R340 K341 K346 T347 V348M333-A344 HydrophobicContact CE-CB 4.08Å; R340-A344 VanDerWaalsContact O-CB 3.29Å; R340-A344 WeakPolarHBondContact O-CB 3.3Å; R340-A344 PolarHBondContact O-N 2.99Å; K341-A344 PolarHBondContact O-N 3.05Å; A344-K346 PolarHBondContact O-N 3.28Å; A344-T347 WeakPolarHBondContact O-CB 3.13Å; A344-T347 PolarHBondContact O-N 3.2Å; A344-T347 VanDerWaalsContact O-N 3.13Å; A344-V348 WeakPolarHBondContact O-CG2 3.29Å; A344-V348 PolarHBondContact O-N 2.98Å
345Q86.3Confident84.3Confident40 Ų4060.7 Ų60.719%0.18729%0.29CS..Hα-helixtrans-57.5-47.9176.8-70.4176.4-45.600111.8D288 K341 T347 V348 H349D288-Q345 WeakPolarHBondContact OD2-CB 3.05Å; D288-Q345 VanDerWaalsContact OD2-CG 3.3Å; D288-Q345 WeakPolarHBondContact OD2-CG 3.39Å; K341-Q345 WeakPolarHBondContact O-CG 3.21Å; K341-Q345 PolarHBondContact O-N 3.45Å; Q345-T347 VanDerWaalsContact C-N 3.29Å; Q345-T347 PolarHBondContact O-N 3.14Å; Q345-V348 WeakPolarHBondContact O-CB 3.17Å; Q345-V348 PolarHBondContact O-N 3.19Å; Q345-H349 PolarHBondContact O-CD2 3.05Å; Q345-H349 VanDerWaalsContact O-CD2 3.25Å; Q345-H349 PolarHBondContact O-N 3.33Å; Q345-H349 VanDerWaalsContact O-N 3.11Å
346K86.7Confident85.3Confident22 Ų2253.5 Ų53.510%0.09626%0.258CS..Hα-helixtrans-62.9-35.1176.8-72.5176.3-177.6-176.90113L290 L309 V310 I313 Q342 A344 L350L290-K346 HydrophobicContact CD2-CG 3.69Å; L309-K346 PolarHBondContact O-NZ 2.86Å; V310-K346 HydrophobicContact CG2-CB 3.87Å; V310-K346 HydrophobicContact CG2-CD 4Å; V310-K346 HydrophobicContact CG2-CG 4.33Å; I313-K346 HydrophobicContact CD1-CD 3.6Å; I313-K346 HydrophobicContact CG1-CD 4.49Å; I313-K346 VanDerWaalsContact CG1-NZ 3.32Å; Q342-K346 WeakPolarHBondContact O-CB 3.49Å; Q342-K346 WeakPolarHBondContact O-CG 3.27Å; Q342-K346 PolarHBondContact O-N 3.45Å; A344-K346 PolarHBondContact O-N 3.28Å; K346-L350 WeakPolarHBondContact O-CB 3.35Å; K346-L350 PolarHBondContact O-N 2.9Å
347T86.8Confident86.5Confident11 Ų1153.2 Ų53.27%0.06726%0.257CS..Hα-helixtrans-66.9-41.9176.3-580000111.1V343 A344 Q345 L350 N351V343-T347 WeakPolarHBondContact O-CB 3.43Å; V343-T347 PolarHBondContact O-N 2.92Å; V343-T347 PolarHBondContact O-OG1 3.21Å; A344-T347 WeakPolarHBondContact O-CB 3.13Å; A344-T347 PolarHBondContact O-N 3.2Å; A344-T347 VanDerWaalsContact O-N 3.13Å; Q345-T347 VanDerWaalsContact C-N 3.29Å; Q345-T347 PolarHBondContact O-N 3.14Å; T347-L350 PolarHBondContact O-N 2.89Å; T347-N351 PolarHBondContact O-N 3.05Å; T347-N351 VanDerWaalsContact O-N 3.08Å; T347-N351 PolarHBondContact O-ND2 2.73Å
348V91.2Very high87.4Confident11 Ų1151.8 Ų51.87%0.06724%0.244CC..Hα-helixtrans-57.1-53.6175170.50000110.3Y270 Y272 A282 L284 A344 Q345 L350 N351 L352Y270-V348 HydrophobicContact CD1-CG1 4.06Å; Y270-V348 HydrophobicContact CE1-CG1 4.43Å; Y272-V348 HydrophobicContact CE1-CG2 3.89Å; A282-V348 HydrophobicContact CB-CB 4.26Å; A282-V348 HydrophobicContact CB-CG1 3.57Å; A282-V348 HydrophobicContact CB-CG2 3.59Å; L284-V348 HydrophobicContact CD2-CG1 4.46Å; A344-V348 WeakPolarHBondContact O-CG2 3.29Å; A344-V348 PolarHBondContact O-N 2.98Å; Q345-V348 WeakPolarHBondContact O-CB 3.17Å; Q345-V348 PolarHBondContact O-N 3.19Å; V348-L350 VanDerWaalsContact C-N 3.31Å; V348-L350 PolarHBondContact O-N 3.41Å; V348-N351 PolarHBondContact O-N 3.45Å; V348-L352 WeakPolarHBondContact O-CB 3.48Å; V348-L352 PolarHBondContact O-N 2.88Å
349H92.6Very high88.2Confident0 Ų047.5 Ų47.50%023%0.225CC..Hα-helixtrans-66.5-31.3-178-71.9-60.3000113.5Y255 D288 L290 W291 I306 Q345 T353Y255-H349 AromaticContact CE1-ND1 3.55Å; Y255-H349 AromaticContact CZ-ND1 3.67Å; Y255-H349 WeakPolarHBondContact OH-CA 3.48Å; Y255-H349 PolarHBondContact OH-ND1 3.48Å; Y255-H349 PolarHBondContact OH-O 3.43Å; D288-H349 IonicContact OD1-NE2 2.85Å; D288-H349 IonicContact OD2-CD2 3.53Å; D288-H349 IonicContact OD2-NE2 2.67Å; D288-H349 PolarHBondContact OD2-NE2 3.39Å; L290-H349 HydrophobicContact CD2-CB 4.48Å; W291-H349 AromaticContact CE3-CE1 3.5Å; W291-H349 PolarHBondContact N-NE2 3.06Å; I306-H349 HydrophobicContact CD1-CB 3.87Å; I306-H349 HydrophobicContact CG1-CB 4.49Å; Q345-H349 PolarHBondContact O-CD2 3.05Å; Q345-H349 VanDerWaalsContact O-CD2 3.25Å; Q345-H349 PolarHBondContact O-N 3.33Å; Q345-H349 VanDerWaalsContact O-N 3.11Å; H349-T353 VanDerWaalsContact O-CB 3.27Å; H349-T353 WeakPolarHBondContact O-CB 3.26Å; H349-T353 PolarHBondContact O-N 2.94Å; H349-T353 PolarHBondContact O-OG1 2.97Å
350L89.6Confident89Confident35 Ų3544.6 Ų44.618%0.18321%0.212CC..Hα-helixtrans-63.2-49.2173.1-176.565.4000111.5I306 I326 L329 K346 T347 V348 T353 E354I306-L350 HydrophobicContact CG2-CB 4.08Å; I306-L350 HydrophobicContact CG2-CD1 4.06Å; I326-L350 HydrophobicContact CD1-CD2 4.47Å; I326-L350 HydrophobicContact CG1-CD2 3.69Å; L329-L350 HydrophobicContact CD1-CD2 3.94Å; K346-L350 WeakPolarHBondContact O-CB 3.35Å; K346-L350 PolarHBondContact O-N 2.9Å; T347-L350 PolarHBondContact O-N 2.89Å; V348-L350 VanDerWaalsContact C-N 3.31Å; V348-L350 PolarHBondContact O-N 3.41Å; L350-T353 PolarHBondContact O-N 2.93Å; L350-E354 WeakPolarHBondContact O-CB 3.32Å; L350-E354 PolarHBondContact O-N 3.31Å
351N91.3Very high89.7Confident17 Ų1742.5 Ų42.59%0.09121%0.209CC..Hα-helixtrans-63.9-45.4177.2-69-66.4000111.2Y270 Y272 I326 T347 V348 T353 E354 D355Y270-N351 HydrophobicContact CE1-CB 4.49Å; Y272-N351 HydrophobicContact CD2-CB 4.29Å; I326-N351 WeakPolarHBondContact CD1-OD1 3.44Å; T347-N351 PolarHBondContact O-N 3.05Å; T347-N351 VanDerWaalsContact O-N 3.08Å; T347-N351 PolarHBondContact O-ND2 2.73Å; V348-N351 PolarHBondContact O-N 3.45Å; N351-T353 VanDerWaalsContact C-N 3.29Å; N351-T353 PolarHBondContact O-N 3.12Å; N351-E354 PolarHBondContact O-N 3.25Å; N351-E354 VanDerWaalsContact O-N 3.15Å; N351-D355 PolarHBondContact O-N 2.56Å
352L94.6Very high89.9Confident0 Ų043.2 Ų43.20%021%0.212CC..Hα-helixtrans-61.2-39.5-179.8-179.158000111.9Y255 A259 V263 I265 Y270 L284 W291 V348 C356Y255-L352 HydrophobicContact CE2-CD2 4.19Å; Y255-L352 HydrophobicContact CE2-CG 4.08Å; A259-L352 HydrophobicContact CB-CD1 4.11Å; A259-L352 HydrophobicContact CB-CD2 4.22Å; A259-L352 HydrophobicContact CB-CG 4.36Å; V263-L352 HydrophobicContact CB-CD1 4.32Å; V263-L352 HydrophobicContact CG1-CD1 4.12Å; V263-L352 HydrophobicContact CG2-CD1 4.15Å; I265-L352 HydrophobicContact CD1-CD1 4.41Å; Y270-L352 HydrophobicContact CD1-CB 4.27Å; Y270-L352 HydrophobicContact CD1-CD1 4.43Å; Y270-L352 HydrophobicContact CD2-CD1 3.9Å; Y270-L352 HydrophobicContact CE1-CB 3.75Å; Y270-L352 HydrophobicContact CE1-CD1 4.29Å; Y270-L352 HydrophobicContact CE2-CD1 3.77Å; Y270-L352 HydrophobicContact CG-CD1 4.24Å; Y270-L352 WeakPolarHBondContact OH-CA 3.49Å; Y270-L352 PolarHBondContact OH-N 3.32Å; L284-L352 HydrophobicContact CD1-CD2 4.02Å; L284-L352 HydrophobicContact CD2-CD2 4.25Å; W291-L352 HydrophobicContact CZ3-CD2 4.22Å; V348-L352 WeakPolarHBondContact O-CB 3.48Å; V348-L352 PolarHBondContact O-N 2.88Å; L352-C356 WeakPolarHBondContact O-CB 3.28Å; L352-C356 PolarHBondContact O-N 3.2Å; L352-C356 PolarHBondContact O-SG 3.37Å
353T93.9Very high89.9Confident9 Ų942.8 Ų42.86%0.05521%0.213CC..Hα-helixtrans-67.9-41.4176.3-56.70000111.5I299 V302 S303 I306 H349 L350 N351 C356 M357I299-T353 HydrophobicContact CD1-CG2 3.95Å; V302-T353 HydrophobicContact CG1-CG2 4.42Å; S303-T353 VanDerWaalsContact OG-CG2 3.31Å; S303-T353 WeakPolarHBondContact OG-CG2 3.5Å; I306-T353 HydrophobicContact CD1-CG2 4.48Å; I306-T353 WeakPolarHBondContact CD1-OG1 3.43Å; H349-T353 VanDerWaalsContact O-CB 3.27Å; H349-T353 WeakPolarHBondContact O-CB 3.26Å; H349-T353 PolarHBondContact O-N 2.94Å; H349-T353 PolarHBondContact O-OG1 2.97Å; L350-T353 PolarHBondContact O-N 2.93Å; N351-T353 VanDerWaalsContact C-N 3.29Å; N351-T353 PolarHBondContact O-N 3.12Å; T353-C356 PolarHBondContact O-N 3.23Å; T353-M357 HydrophobicContact CG2-CG 4.49Å; T353-M357 WeakPolarHBondContact O-CB 3.4Å; T353-M357 WeakPolarHBondContact O-CG 3.39Å; T353-M357 PolarHBondContact O-N 3.41Å
354E91.6Very high90.2Very high96 Ų9643 Ų4345%0.44921%0.214SC..Hα-helixtrans-61.5-44.3175.2-173.417317900111.2L350 N351 M357 N358L350-E354 WeakPolarHBondContact O-CB 3.32Å; L350-E354 PolarHBondContact O-N 3.31Å; N351-E354 PolarHBondContact O-N 3.25Å; N351-E354 VanDerWaalsContact O-N 3.15Å; E354-M357 PolarHBondContact O-N 3.4Å; E354-N358 VanDerWaalsContact O-CB 3.28Å; E354-N358 WeakPolarHBondContact O-CB 3.44Å; E354-N358 PolarHBondContact O-N 3.37Å; E354-N358 PolarHBondContact O-ND2 3.08Å; E354-N358 VanDerWaalsContact O-ND2 3.11Å
355D93.5Very high90.5Very high54 Ų5446.1 Ų46.129%0.28922%0.223SC..Hα-helixtrans-61.3-47.8175.4-72-15.4000111.5V263 Y270 N351 M357 N358 H359V263-D355 HydrophobicContact CG2-CB 4.13Å; Y270-D355 PolarHBondContact OH-OD2 3.24Å; N351-D355 PolarHBondContact O-N 2.56Å; D355-M357 PolarHBondContact O-N 3.11Å; D355-N358 PolarHBondContact O-N 3.29Å; D355-H359 PolarHBondContact O-CD2 2.84Å; D355-H359 VanDerWaalsContact O-CD2 3.26Å; D355-H359 PolarHBondContact O-N 2.97Å
356C95.2Very high90.5Very high0 Ų051 Ų510%024%0.244CC..Hα-helixtrans-56.8-48.7175.9-68.80000111.6M258 I299 L352 T353 N358 H359 F360M258-C356 HydrophobicContact CE-CB 3.95Å; M258-C356 WeakPolarHBondContact CE-O 3.38Å; M258-C356 HydrophobicContact CG-CB 4.43Å; M258-C356 HydrophobicContact SD-CB 4.09Å; I299-C356 HydrophobicContact CD1-CB 4.24Å; L352-C356 WeakPolarHBondContact O-CB 3.28Å; L352-C356 PolarHBondContact O-N 3.2Å; L352-C356 PolarHBondContact O-SG 3.37Å; T353-C356 PolarHBondContact O-N 3.23Å; C356-N358 PolarHBondContact O-N 2.94Å; C356-H359 PolarHBondContact O-N 3.36Å; C356-F360 WeakPolarHBondContact O-CB 3.39Å; C356-F360 PolarHBondContact O-N 3.17Å
357M93.3Very high90.8Very high44 Ų4450 Ų5022%0.21724%0.239CC..Hα-helixtrans-66.5-36.4-179.4-72-58.5-61.600112.6I299 T353 E354 D355 F360 Q361I299-M357 HydrophobicContact CG1-CG 4.28Å; I299-M357 HydrophobicContact CG1-SD 3.64Å; I299-M357 HydrophobicContact CG2-SD 4.32Å; T353-M357 HydrophobicContact CG2-CG 4.49Å; T353-M357 WeakPolarHBondContact O-CB 3.4Å; T353-M357 WeakPolarHBondContact O-CG 3.39Å; T353-M357 PolarHBondContact O-N 3.41Å; E354-M357 PolarHBondContact O-N 3.4Å; D355-M357 PolarHBondContact O-N 3.11Å; M357-F360 HydrophobicContact CE-CD1 4.31Å; M357-F360 PolarHBondContact O-N 2.92Å; M357-Q361 WeakPolarHBondContact O-CB 3.35Å; M357-Q361 WeakPolarHBondContact O-CG 3.33Å; M357-Q361 PolarHBondContact O-N 3.11Å
358N93.2Very high91.1Very high58 Ų5849.5 Ų49.531%0.3124%0.236SC..Hα-helixtrans-63.1-42.1175.4-77.3-30.5000111.9E354 D355 C356 K362E354-N358 VanDerWaalsContact O-CB 3.28Å; E354-N358 WeakPolarHBondContact O-CB 3.44Å; E354-N358 PolarHBondContact O-N 3.37Å; E354-N358 PolarHBondContact O-ND2 3.08Å; E354-N358 VanDerWaalsContact O-ND2 3.11Å; D355-N358 PolarHBondContact O-N 3.29Å; C356-N358 PolarHBondContact O-N 2.94Å; N358-K362 WeakPolarHBondContact O-CB 3.07Å; N358-K362 WeakPolarHBondContact O-CD 3.43Å; N358-K362 WeakPolarHBondContact O-CG 3.45Å; N358-K362 PolarHBondContact O-N 2.86Å
359H91.7Very high91.1Very high90 Ų9054.9 Ų54.942%0.41726%0.259SS..Hα-helixtrans-68-41.7174.7-82.6-103.9000111.4L262 D355 C356 K362 N363L262-H359 HydrophobicContact CB-CB 4.16Å; L262-H359 HydrophobicContact CD1-CB 4.12Å; D355-H359 PolarHBondContact O-CD2 2.84Å; D355-H359 VanDerWaalsContact O-CD2 3.26Å; D355-H359 PolarHBondContact O-N 2.97Å; C356-H359 PolarHBondContact O-N 3.36Å; H359-K362 PolarHBondContact O-N 3.15Å; H359-N363 PolarHBondContact O-N 2.86Å
360F92.6Very high91.2Very high22 Ų2255.3 Ų55.310%0.09626%0.262CS..Iπ-helixtrans-60.1-53.7-179.8177.2-103.3000113.5L253 M258 C356 M357 K362 V364 E365 L475L253-F360 HydrophobicContact CD1-CE2 3.92Å; L253-F360 HydrophobicContact CD1-CZ 4.36Å; L253-F360 HydrophobicContact CD2-CD2 3.73Å; L253-F360 HydrophobicContact CD2-CE2 3.62Å; L253-F360 HydrophobicContact CG-CE2 4.46Å; M258-F360 HydrophobicContact CE-CB 3.48Å; M258-F360 VanDerWaalsContact CE-CB 3.48Å; M258-F360 HydrophobicContact CE-CD2 4.13Å; M258-F360 HydrophobicContact CE-CG 4Å; C356-F360 WeakPolarHBondContact O-CB 3.39Å; C356-F360 PolarHBondContact O-N 3.17Å; M357-F360 HydrophobicContact CE-CD1 4.31Å; M357-F360 PolarHBondContact O-N 2.92Å; F360-K362 VanDerWaalsContact C-N 3.29Å; F360-K362 PolarHBondContact O-N 2.56Å; F360-V364 HydrophobicContact CD2-CB 4.12Å; F360-V364 HydrophobicContact CD2-CG1 4.27Å; F360-V364 PolarHBondContact O-N 2.91Å; F360-E365 HydrophobicContact CD1-CB 4.39Å; F360-E365 HydrophobicContact CE1-CB 3.91Å; F360-E365 HydrophobicContact CE1-CG 3.99Å; F360-E365 HydrophobicContact CE2-CB 4.08Å; F360-E365 HydrophobicContact CZ-CB 3.74Å; F360-E365 HydrophobicContact CZ-CG 3.78Å; F360-E365 PolarHBondContact O-N 2.69Å; F360-L475 HydrophobicContact CE2-CD1 4.36Å; F360-L475 HydrophobicContact CZ-CD1 3.82Å
361Q91.4Very high91.5Very high120 Ų12053.6 Ų53.656%0.56125%0.253SS*.Iπ-helixtrans-66.3-29.4-176.3-70.6176.4-7.400113.1M357M357-Q361 WeakPolarHBondContact O-CB 3.35Å; M357-Q361 WeakPolarHBondContact O-CG 3.33Å; M357-Q361 PolarHBondContact O-N 3.11Å
362K87.3Confident91.6Very high155 Ų15552.8 Ų52.867%0.67425%0.249SC*.Iπ-helixtrans-75-46.7-178.9-73.8174.9-173.7174.70112N358 H359 F360N358-K362 WeakPolarHBondContact O-CB 3.07Å; N358-K362 WeakPolarHBondContact O-CD 3.43Å; N358-K362 WeakPolarHBondContact O-CG 3.45Å; N358-K362 PolarHBondContact O-N 2.86Å; H359-K362 PolarHBondContact O-N 3.15Å; F360-K362 VanDerWaalsContact C-N 3.29Å; F360-K362 PolarHBondContact O-N 2.56Å
363N81.9Confident91.6Very high80 Ų8053.6 Ų53.643%0.42825%0.253SS..Iπ-helixtrans-131.9-38.8-165.4-68.3-14.7000114.6H359 H400H359-N363 PolarHBondContact O-N 2.86Å; N363-H400 PolarHBondContact O-CE1 3.45Å; N363-H400 VanDerWaalsContact O-CE1 3.3Å
364V86.8Confident91.7Very high6 Ų653.3 Ų53.34%0.03625%0.251CS..Iπ-helixtrans-87.2-29-162.9-173.40000112.7H251 L262 F360 K366 L367 C368H251-V364 HydrophobicContact CB-CG1 3.87Å; L262-V364 HydrophobicContact CD1-CG2 4.16Å; L262-V364 HydrophobicContact CD2-CG2 3.78Å; F360-V364 HydrophobicContact CD2-CB 4.12Å; F360-V364 HydrophobicContact CD2-CG1 4.27Å; F360-V364 PolarHBondContact O-N 2.91Å; V364-K366 PolarHBondContact O-N 2.89Å; V364-L367 WeakPolarHBondContact O-CA 3.4Å; V364-L367 WeakPolarHBondContact O-CB 3.26Å; V364-L367 PolarHBondContact O-N 2.89Å; V364-C368 PolarHBondContact O-N 3.24Å
365E89.8Confident91.8Very high98 Ų9849.2 Ų49.246%0.45823%0.234SC..Hα-helixtrans-54.8-48.1-175.9-178.2179.1-173.500113.3F360 L367 L475F360-E365 HydrophobicContact CD1-CB 4.39Å; F360-E365 HydrophobicContact CE1-CB 3.91Å; F360-E365 HydrophobicContact CE1-CG 3.99Å; F360-E365 HydrophobicContact CE2-CB 4.08Å; F360-E365 HydrophobicContact CZ-CB 3.74Å; F360-E365 HydrophobicContact CZ-CG 3.78Å; F360-E365 PolarHBondContact O-N 2.69Å; E365-L367 VanDerWaalsContact C-N 3.31Å; E365-L367 PolarHBondContact O-N 2.86Å; E365-L475 HydrophobicContact CG-CD1 4.33Å
366K86.4Confident91.7Very high144 Ų14449 Ų4963%0.62624%0.235SC*.Hα-helixtrans-67.9-34.6178-66.4-178.8-175.3172.90112.1V364 K369V364-K366 PolarHBondContact O-N 2.89Å; K366-K369 PolarHBondContact O-N 3.3Å
367L91.3Very high91.5Very high0 Ų050.3 Ų50.30%025%0.247CC..Hα-helixtrans-67.4-48.8-179.9179.762.6000110.5H251 V364 E365 K369 A370 E371 V395 D404 A408H251-L367 WeakPolarHBondContact CE1-CD2 3.46Å; V364-L367 WeakPolarHBondContact O-CA 3.4Å; V364-L367 WeakPolarHBondContact O-CB 3.26Å; V364-L367 PolarHBondContact O-N 2.89Å; E365-L367 VanDerWaalsContact C-N 3.31Å; E365-L367 PolarHBondContact O-N 2.86Å; L367-K369 PolarHBondContact O-N 2.88Å; L367-K369 VanDerWaalsContact O-N 3.12Å; L367-A370 PolarHBondContact O-N 3.03Å; L367-E371 HydrophobicContact CD1-CG 4.08Å; L367-E371 HydrophobicContact CG-CG 4.05Å; L367-E371 WeakPolarHBondContact CG-OE1 3.36Å; L367-E371 WeakPolarHBondContact O-CG 3.24Å; L367-E371 PolarHBondContact O-N 2.8Å; L367-V395 HydrophobicContact CD1-CG1 3.5Å; L367-V395 VanDerWaalsContact CD1-CG1 3.5Å; L367-V395 HydrophobicContact CD1-CG2 4.33Å; L367-D404 HydrophobicContact CD2-CB 3.69Å; L367-A408 HydrophobicContact CD1-CB 4.27Å
368C93.9Very high91.3Very high0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-52.3-38.3176.9-75.40000112.5V364 E371 Q372 L475V364-C368 PolarHBondContact O-N 3.24Å; C368-E371 PolarHBondContact O-N 3.22Å; C368-Q372 WeakPolarHBondContact O-CB 3.28Å; C368-Q372 WeakPolarHBondContact O-CG 3.3Å; C368-Q372 PolarHBondContact O-N 3.35Å; C368-L475 HydrophobicContact CB-CB 4.29Å; C368-L475 HydrophobicContact CB-CD1 4.45Å; C368-L475 HydrophobicContact CB-CD2 4.21Å
369K92.1Very high91.2Very high124 Ų12449.2 Ų49.254%0.53925%0.245SC..Hα-helixtrans-59.3-51.7177.9-174.9178.3178.8178.30111.3K366 L367 D373 L475K366-K369 PolarHBondContact O-N 3.3Å; L367-K369 PolarHBondContact O-N 2.88Å; L367-K369 VanDerWaalsContact O-N 3.12Å; K369-D373 VanDerWaalsContact O-CG 3.26Å; K369-D373 PolarHBondContact O-N 3.03Å; K369-D373 VanDerWaalsContact O-N 3.13Å; K369-L475 HydrophobicContact CB-CD2 3.94Å
370A93.6Very high91Very high9 Ų948.2 Ų48.27%0.07424%0.244CC..Hα-helixtrans-65.1-41.8178.900000111.8L367 Q372 D373 L374 T391 V395L367-A370 PolarHBondContact O-N 3.03Å; A370-Q372 PolarHBondContact O-N 3.45Å; A370-D373 PolarHBondContact O-N 3.27Å; A370-L374 WeakPolarHBondContact O-CB 3.39Å; A370-L374 VanDerWaalsContact O-CG 3.23Å; A370-L374 WeakPolarHBondContact O-CG 3.49Å; A370-L374 PolarHBondContact O-N 3.41Å; A370-T391 HydrophobicContact CB-CG2 3.88Å; A370-V395 HydrophobicContact CB-CG2 3.57Å
371E95.5Very high90.8Very high0 Ų054.8 Ų54.80%028%0.276CS..Hα-helixtrans-60.7-45.2178.5-70.4-169.7171.500112.4L250 H251 L367 C368 L374 A375 L411L250-E371 HydrophobicContact CD2-CB 3.83Å; H251-E371 WeakPolarHBondContact CB-OE2 3.43Å; H251-E371 IonicContact CE1-OE1 3.45Å; H251-E371 PolarHBondContact CE1-OE1 3.42Å; H251-E371 IonicContact CG-OE1 3.63Å; H251-E371 IonicContact CG-OE2 3.24Å; H251-E371 PolarHBondContact N-OE2 3.36Å; H251-E371 VanDerWaalsContact ND1-CD 3.27Å; H251-E371 IonicContact ND1-OE1 2.92Å; H251-E371 PolarHBondContact ND1-OE1 2.98Å; H251-E371 IonicContact ND1-OE2 3.9Å; H251-E371 PolarHBondContact ND1-OE2 3.02Å; H251-E371 VanDerWaalsContact ND1-OE2 3.13Å; L367-E371 HydrophobicContact CD1-CG 4.08Å; L367-E371 HydrophobicContact CG-CG 4.05Å; L367-E371 WeakPolarHBondContact CG-OE1 3.36Å; L367-E371 WeakPolarHBondContact O-CG 3.24Å; L367-E371 PolarHBondContact O-N 2.8Å; C368-E371 PolarHBondContact O-N 3.22Å; E371-L374 PolarHBondContact O-N 3.15Å; E371-A375 WeakPolarHBondContact O-CB 3.43Å; E371-A375 PolarHBondContact O-N 2.98Å; E371-L411 HydrophobicContact CB-CD1 3.64Å; E371-L411 HydrophobicContact CG-CD1 3.56Å
372Q94.8Very high90.5Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-67.8-40.8180-65.3-71.7-41.900111.5C368 A370 L374 A375 V376 L475C368-Q372 WeakPolarHBondContact O-CB 3.28Å; C368-Q372 WeakPolarHBondContact O-CG 3.3Å; C368-Q372 PolarHBondContact O-N 3.35Å; A370-Q372 PolarHBondContact O-N 3.45Å; Q372-L374 VanDerWaalsContact C-N 3.32Å; Q372-L374 PolarHBondContact O-N 3.43Å; Q372-A375 PolarHBondContact O-N 2.96Å; Q372-V376 WeakPolarHBondContact O-CB 3.08Å; Q372-V376 WeakPolarHBondContact O-CG2 3.3Å; Q372-V376 PolarHBondContact O-N 2.95Å; Q372-L475 WeakPolarHBondContact CG-O 3.44Å
373D94.5Very high90.6Very high17 Ų1748.2 Ų48.29%0.09127%0.267CS..Hα-helixtrans-61.4-40.8174.9-70.5-10.7000111.5K369 A370 G377 D379 V385 T391 R477K369-D373 VanDerWaalsContact O-CG 3.26Å; K369-D373 PolarHBondContact O-N 3.03Å; K369-D373 VanDerWaalsContact O-N 3.13Å; A370-D373 PolarHBondContact O-N 3.27Å; D373-G377 VanDerWaalsContact O-CA 3.26Å; D373-G377 WeakPolarHBondContact O-CA 3.28Å; D373-G377 PolarHBondContact O-N 3.49Å; D373-D379 WeakPolarHBondContact OD1-CA 3.41Å; D373-V385 HydrophobicContact CB-CG2 4.22Å; D373-T391 HydrophobicContact CB-CG2 3.97Å; D373-R477 IonicContact OD1-CZ 3.87Å; D373-R477 IonicContact OD1-NH1 2.7Å; D373-R477 IonicContact OD1-NH2 2.94Å; D373-R477 PolarHBondContact OD1-NH2 3.39Å
374L94.8Very high91Very high3 Ų352.7 Ų52.72%0.01628%0.282CS..Hα-helixtrans-71.7-41.8177.5-69.2172.4000112.6A370 E371 Q372 P388 T391 L411 S415A370-L374 WeakPolarHBondContact O-CB 3.39Å; A370-L374 VanDerWaalsContact O-CG 3.23Å; A370-L374 WeakPolarHBondContact O-CG 3.49Å; A370-L374 PolarHBondContact O-N 3.41Å; E371-L374 PolarHBondContact O-N 3.15Å; Q372-L374 VanDerWaalsContact C-N 3.32Å; Q372-L374 PolarHBondContact O-N 3.43Å; L374-P388 HydrophobicContact CD2-CB 3.75Å; L374-T391 HydrophobicContact CD2-CG2 4.31Å; L374-T391 HydrophobicContact CG-CG2 4.05Å; L374-L411 HydrophobicContact CB-CB 4.11Å; L374-L411 HydrophobicContact CD1-CB 4.32Å; L374-S415 VanDerWaalsContact O-CB 3.27Å; L374-S415 WeakPolarHBondContact O-CB 3.38Å
375A93.8Very high91.2Very high10 Ų1054 Ų548%0.08329%0.29CS..Hα-helixtrans-69.1-49-178.100000111.8V246 L250 E371 Q372 L411 W478V246-A375 HydrophobicContact CG1-CB 3.79Å; L250-A375 HydrophobicContact CD1-CB 4.09Å; L250-A375 HydrophobicContact CD2-CB 4.05Å; E371-A375 WeakPolarHBondContact O-CB 3.43Å; E371-A375 PolarHBondContact O-N 2.98Å; Q372-A375 PolarHBondContact O-N 2.96Å; A375-L411 HydrophobicContact CB-CD2 4.38Å; A375-W478 HydrophobicContact CB-CD2 4.21Å; A375-W478 HydrophobicContact CB-CE3 3.81Å; A375-W478 HydrophobicContact CB-CZ3 4.36Å; A375-W478 WeakPolarHBondContact O-CZ3 3.48Å
376V91.7Very high91.2Very high50 Ų5059 Ų5930%0.30331%0.311SS..Hα-helixtrans-76-33.7-179.9-177.90000111Q372 S378 R477 W478Q372-V376 WeakPolarHBondContact O-CB 3.08Å; Q372-V376 WeakPolarHBondContact O-CG2 3.3Å; Q372-V376 PolarHBondContact O-N 2.95Å; V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 WeakPolarHBondContact CG1-OG 3.11Å; V376-R477 HydrophobicContact CG2-CB 4.06Å; V376-W478 HydrophobicContact CG2-CB 4.48Å; V376-W478 HydrophobicContact CG2-CE3 4.42Å
377G90.6Very high91.4Very high26 Ų2655.3 Ų55.327%0.26830%0.298SS..SBendtrans83.98.5-175.800000114.1D373 V385D373-G377 VanDerWaalsContact O-CA 3.26Å; D373-G377 WeakPolarHBondContact O-CA 3.28Å; D373-G377 PolarHBondContact O-N 3.49Å; G377-V385 PolarHBondContact O-N 2.94Å
378S90.6Very high91.5Very high24 Ų2456.3 Ų56.317%0.16830%0.304CS..BIsolated β-bridgetrans-141155.7173.2580000110.7V376 V383 R477V376-S378 VanDerWaalsContact C-N 3.34Å; V376-S378 WeakPolarHBondContact CG1-OG 3.11Å; S378-V383 CarbonylContact C-O 3.52Å; S378-V383 WeakPolarHBondContact CA-O 3.41Å; S378-V383 WeakPolarHBondContact CB-O 3.38Å; S378-R477 PolarHBondContact O-NH1 3.45Å
379D89.8Confident91.4Very high56 Ų5658.7 Ų58.730%0.29932%0.316SS..  trans-75.3-178.3172.67014.6000112.4D373 E381 G382 V383 R477D373-D379 WeakPolarHBondContact OD1-CA 3.41Å; D379-E381 PolarHBondContact O-N 3.13Å; D379-E381 WeakPolarHBondContact OD1-CA 3.31Å; D379-E381 PolarHBondContact OD1-N 2.77Å; D379-G382 PolarHBondContact O-N 2.71Å; D379-G382 PolarHBondContact OD1-N 3.2Å; D379-V383 PolarHBondContact N-O 2.86Å; D379-V383 WeakPolarHBondContact OD1-CB 3.35Å; D379-V383 PolarHBondContact OD1-N 3.43Å; D379-R477 PolarHBondContact O-NH1 3.46Å
380V88.5Confident91.5Very high68 Ų6861.9 Ų61.941%0.41233%0.325SS..THydrogen-bonded Turntrans-61.8-25.1-178.2-178.50000112.3G382V380-G382 VanDerWaalsContact C-N 3.29Å
381E86.9Confident91.5Very high161 Ų16162.8 Ų62.875%0.75233%0.329SS*.THydrogen-bonded Turntrans-89.33.7177.9-55.2-60.6149.400112.1D379 V383D379-E381 PolarHBondContact O-N 3.13Å; D379-E381 WeakPolarHBondContact OD1-CA 3.31Å; D379-E381 PolarHBondContact OD1-N 2.77Å; E381-V383 VanDerWaalsContact C-N 3.28Å; E381-V383 HydrophobicContact CB-CG2 4.27Å; E381-V383 PolarHBondContact O-N 2.83Å
382G85.2Confident91.4Very high52 Ų5262.8 Ų62.854%0.53633%0.329SS..SBendtrans77.89.6-177.100000113.9D379 V380 K384D379-G382 PolarHBondContact O-N 2.71Å; D379-G382 PolarHBondContact OD1-N 3.2Å; V380-G382 VanDerWaalsContact C-N 3.29Å; G382-K384 PolarHBondContact O-N 2.97Å
383V89.5Confident91.3Very high85 Ų8566.1 Ų66.152%0.51535%0.346SS..  trans-76.7124.8176.9-176.40000108.9S378 D379 E381 V385S378-V383 CarbonylContact C-O 3.52Å; S378-V383 WeakPolarHBondContact CA-O 3.41Å; S378-V383 WeakPolarHBondContact CB-O 3.38Å; D379-V383 PolarHBondContact N-O 2.86Å; D379-V383 WeakPolarHBondContact OD1-CB 3.35Å; D379-V383 PolarHBondContact OD1-N 3.43Å; E381-V383 VanDerWaalsContact C-N 3.28Å; E381-V383 HydrophobicContact CB-CG2 4.27Å; E381-V383 PolarHBondContact O-N 2.83Å; V383-V385 PolarHBondContact O-N 3.31Å
384K91Very high91.2Very high173 Ų17369 Ų6975%0.75237%0.366SS*.BIsolated β-bridgetrans-57.9134179.5-68.7-171178-175.40111.7G382 K386G382-K384 PolarHBondContact O-N 2.97Å; K384-K386 PolarHBondContact O-N 2.97Å; K384-K386 VanDerWaalsContact O-N 3.1Å
385V91.1Very high91.1Very high34 Ų3469.2 Ų69.221%0.20637%0.368CS..  trans-69.7106.8173.8179.70000108.6D373 G377 V383 P388D373-V385 HydrophobicContact CB-CG2 4.22Å; G377-V385 PolarHBondContact O-N 2.94Å; V383-V385 PolarHBondContact O-N 3.31Å; V385-P388 HydrophobicContact CG1-CB 4.41Å; V385-P388 HydrophobicContact CG1-CG 4.14Å
386K88.8Confident91Very high203 Ų20369 Ų6988%0.88337%0.365SS*.SBendtrans-74.3-36.1-178.3-68.1-176.2179.5178.30113.3K384K384-K386 PolarHBondContact O-N 2.97Å; K384-K386 VanDerWaalsContact O-N 3.1Å
387D91.4Very high90.9Very high66 Ų6672.5 Ų72.535%0.35338%0.381SS..  trans-134.389.9-176.5-178.2-1.6000109.1M389 R390D387-M389 PolarHBondContact O-N 2.86Å; D387-M389 VanDerWaalsContact O-N 3.13Å; D387-M389 WeakPolarHBondContact OD1-CB 3.37Å; D387-M389 PolarHBondContact OD1-N 2.89Å; D387-R390 HydrophobicContact CB-CG 4.2Å; D387-R390 PolarHBondContact O-N 3.44Å; D387-R390 VanDerWaalsContact O-N 3.12Å; D387-R390 WeakPolarHBondContact OD2-CD 3.4Å; D387-R390 VanDerWaalsContact OD2-CG 3.31Å; D387-R390 WeakPolarHBondContact OD2-CG 3.43Å; D387-R390 IonicContact OD2-CZ 3.86Å; D387-R390 IonicContact OD2-NE 2.93Å; D387-R390 PolarHBondContact OD2-NE 3.44Å
388P92.7Very high90.8Very high21 Ų2174.2 Ų74.214%0.13638%0.383CS..Hα-helixtrans-58.1-24.1-178.8-28.338.1000113.9L374 V385 R390 T391 L392 Y412 L416L374-P388 HydrophobicContact CD2-CB 3.75Å; V385-P388 HydrophobicContact CG1-CB 4.41Å; V385-P388 HydrophobicContact CG1-CG 4.14Å; P388-R390 VanDerWaalsContact C-N 3.31Å; P388-R390 PolarHBondContact O-N 3.16Å; P388-T391 WeakPolarHBondContact O-CB 3.38Å; P388-T391 PolarHBondContact O-N 2.82Å; P388-T391 VanDerWaalsContact O-N 3.15Å; P388-L392 PolarHBondContact O-N 2.86Å; P388-L392 VanDerWaalsContact O-N 3.08Å; P388-Y412 HydrophobicContact CB-CD2 3.75Å; P388-Y412 HydrophobicContact CB-CE2 3.89Å; P388-L416 HydrophobicContact CG-CD2 4.01Å
389M93.4Very high90.7Very high50 Ų5078.4 Ų78.425%0.24641%0.409CS..Hα-helixtrans-68.2-31.8179.3-170.959.7174.800111.9D387 T391 L392 L393 Y412 L427D387-M389 PolarHBondContact O-N 2.86Å; D387-M389 VanDerWaalsContact O-N 3.13Å; D387-M389 WeakPolarHBondContact OD1-CB 3.37Å; D387-M389 PolarHBondContact OD1-N 2.89Å; M389-T391 PolarHBondContact O-N 3.31Å; M389-L392 PolarHBondContact O-N 2.56Å; M389-L392 HydrophobicContact SD-CD2 4.15Å; M389-L393 WeakPolarHBondContact O-CB 3.45Å; M389-L393 PolarHBondContact O-N 3.02Å; M389-Y412 HydrophobicContact CB-CE2 4.16Å; M389-Y412 HydrophobicContact SD-CE2 4.37Å; M389-L427 HydrophobicContact CE-CD2 4.03Å; M389-L427 HydrophobicContact SD-CD2 4.33Å
390R93.1Very high90.7Very high192 Ų19276.6 Ų76.673%0.72540%0.399SS*.Hα-helixtrans-65.7-28.5173.7-70.9176.7-170.6-159.4-8.3112.7D387 P388 P394D387-R390 HydrophobicContact CB-CG 4.2Å; D387-R390 PolarHBondContact O-N 3.44Å; D387-R390 VanDerWaalsContact O-N 3.12Å; D387-R390 WeakPolarHBondContact OD2-CD 3.4Å; D387-R390 VanDerWaalsContact OD2-CG 3.31Å; D387-R390 WeakPolarHBondContact OD2-CG 3.43Å; D387-R390 IonicContact OD2-CZ 3.86Å; D387-R390 IonicContact OD2-NE 2.93Å; D387-R390 PolarHBondContact OD2-NE 3.44Å; P388-R390 VanDerWaalsContact C-N 3.31Å; P388-R390 PolarHBondContact O-N 3.16Å; R390-P394 WeakPolarHBondContact O-CD 3.06Å
391T93.6Very high90.8Very high27 Ų2775.1 Ų75.117%0.16640%0.397CS..Hα-helixtrans-77.4-39.1175-53.20000111.1A370 D373 L374 P388 M389A370-T391 HydrophobicContact CB-CG2 3.88Å; D373-T391 HydrophobicContact CB-CG2 3.97Å; L374-T391 HydrophobicContact CD2-CG2 4.31Å; L374-T391 HydrophobicContact CG-CG2 4.05Å; P388-T391 WeakPolarHBondContact O-CB 3.38Å; P388-T391 PolarHBondContact O-N 2.82Å; P388-T391 VanDerWaalsContact O-N 3.15Å; M389-T391 PolarHBondContact O-N 3.31Å
392L94.7Very high91.2Very high0 Ų070.9 Ų70.90%038%0.383CS..Hα-helixtrans-75.1-42.1-178.6178.662.3000113.7P388 M389 V395 L396 A408 V409 Y412 L427P388-L392 PolarHBondContact O-N 2.86Å; P388-L392 VanDerWaalsContact O-N 3.08Å; M389-L392 PolarHBondContact O-N 2.56Å; M389-L392 HydrophobicContact SD-CD2 4.15Å; L392-V395 WeakPolarHBondContact O-CB 3.36Å; L392-V395 PolarHBondContact O-N 3.13Å; L392-L396 HydrophobicContact CD1-CD1 4.41Å; L392-L396 HydrophobicContact CD1-CD2 4.25Å; L392-L396 HydrophobicContact CD1-CG 4.08Å; L392-L396 HydrophobicContact CD2-CD1 4.07Å; L392-L396 HydrophobicContact CG-CD1 3.87Å; L392-L396 HydrophobicContact CG-CG 3.99Å; L392-L396 PolarHBondContact O-N 2.83Å; L392-A408 HydrophobicContact CD1-CB 3.73Å; L392-V409 HydrophobicContact CD1-CG2 4.34Å; L392-V409 HydrophobicContact CD2-CG2 4.29Å; L392-Y412 HydrophobicContact CB-CD2 4.45Å; L392-Y412 HydrophobicContact CD2-CD1 4.09Å; L392-Y412 HydrophobicContact CD2-CD2 4.07Å; L392-Y412 HydrophobicContact CD2-CG 3.7Å; L392-L427 HydrophobicContact CD2-CD2 3.81Å
393L92.3Very high91.6Very high70 Ų7071.9 Ų71.937%0.36637%0.371SS..Hα-helixtrans-55.1-43.7-171.1-178.165.1000113.9M389 V395 L396 L397M389-L393 WeakPolarHBondContact O-CB 3.45Å; M389-L393 PolarHBondContact O-N 3.02Å; L393-V395 PolarHBondContact O-N 2.78Å; L393-L396 PolarHBondContact O-N 2.84Å; L393-L397 HydrophobicContact CD1-CD1 4.14Å; L393-L397 HydrophobicContact CD1-CG 4.12Å; L393-L397 HydrophobicContact CG-CD1 3.93Å; L393-L397 HydrophobicContact CG-CG 4.34Å; L393-L397 WeakPolarHBondContact O-CG 3.33Å; L393-L397 PolarHBondContact O-N 2.7Å; L393-L397 VanDerWaalsContact O-N 3.08Å
394P92.4Very high91.9Very high78 Ų7868.9 Ų68.951%0.50635%0.352SS..Hα-helixtrans-58.3-35.1175.8-24.935.2000113.7R390 H398R390-P394 WeakPolarHBondContact O-CD 3.06Å; P394-H398 WeakPolarHBondContact O-CB 3.31Å; P394-H398 PolarHBondContact O-N 2.81Å; P394-H398 VanDerWaalsContact O-N 3.16Å
395V92.5Very high92.1Very high8 Ų862 Ų625%0.04832%0.322CS..Hα-helixtrans-68.4-42.5177.7-179.20000110.5L367 A370 L392 L393 L397 H398 H400 A408L367-V395 HydrophobicContact CD1-CG1 3.5Å; L367-V395 VanDerWaalsContact CD1-CG1 3.5Å; L367-V395 HydrophobicContact CD1-CG2 4.33Å; A370-V395 HydrophobicContact CB-CG2 3.57Å; L392-V395 WeakPolarHBondContact O-CB 3.36Å; L392-V395 PolarHBondContact O-N 3.13Å; L393-V395 PolarHBondContact O-N 2.78Å; V395-L397 VanDerWaalsContact C-N 3.33Å; V395-L397 PolarHBondContact O-N 3.08Å; V395-H398 PolarHBondContact O-N 3.04Å; V395-H400 PolarHBondContact O-CD2 3.04Å; V395-A408 HydrophobicContact CG1-CB 3.89Å
396L91.3Very high92.4Very high6 Ų660.5 Ų60.53%0.03131%0.313CS..Hα-helixtrans-66.2-36.3179.4-63.6-178.6000112.7L392 L393 K405 V409 L427 H430 V431L392-L396 HydrophobicContact CD1-CD1 4.41Å; L392-L396 HydrophobicContact CD1-CD2 4.25Å; L392-L396 HydrophobicContact CD1-CG 4.08Å; L392-L396 HydrophobicContact CD2-CD1 4.07Å; L392-L396 HydrophobicContact CG-CD1 3.87Å; L392-L396 HydrophobicContact CG-CG 3.99Å; L392-L396 PolarHBondContact O-N 2.83Å; L393-L396 PolarHBondContact O-N 2.84Å; L396-K405 HydrophobicContact CD2-CB 4.35Å; L396-K405 PolarHBondContact O-NZ 3.4Å; L396-V409 HydrophobicContact CD2-CG2 3.87Å; L396-L427 HydrophobicContact CD1-CD2 3.88Å; L396-H430 HydrophobicContact CD1-CB 4.35Å; L396-V431 HydrophobicContact CD2-CG2 3.78Å
397L90.3Very high92.7Very high122 Ų12250.9 Ų50.964%0.63927%0.271SS*.Hα-helixtrans-75.5-27.8-180-66.1175.8000113.3L393 V395L393-L397 HydrophobicContact CD1-CD1 4.14Å; L393-L397 HydrophobicContact CD1-CG 4.12Å; L393-L397 HydrophobicContact CG-CD1 3.93Å; L393-L397 HydrophobicContact CG-CG 4.34Å; L393-L397 WeakPolarHBondContact O-CG 3.33Å; L393-L397 PolarHBondContact O-N 2.7Å; L393-L397 VanDerWaalsContact O-N 3.08Å; V395-L397 VanDerWaalsContact C-N 3.33Å; V395-L397 PolarHBondContact O-N 3.08Å
398H88.6Confident93Very high63 Ų6347.8 Ų47.829%0.29225%0.254SS..SBendtrans-75.6149.2177.3-166.2-85.9000111.1P394 V395 H400 K405P394-H398 WeakPolarHBondContact O-CB 3.31Å; P394-H398 PolarHBondContact O-N 2.81Å; P394-H398 VanDerWaalsContact O-N 3.16Å; V395-H398 PolarHBondContact O-N 3.04Å; H398-H400 AromaticContact CE1-CE1 3.95Å; H398-H400 AromaticContact CG-CD2 3.88Å; H398-H400 AromaticContact CG-NE2 3.5Å; H398-H400 AromaticContact ND1-CD2 3.55Å; H398-H400 AromaticContact ND1-CE1 3.35Å; H398-H400 PolarHBondContact ND1-CE1 3.44Å; H398-H400 VanDerWaalsContact ND1-CE1 3.35Å; H398-H400 AromaticContact ND1-CG 3.86Å; H398-H400 AromaticContact ND1-ND1 3.75Å; H398-H400 AromaticContact ND1-NE2 3.17Å; H398-H400 PolarHBondContact ND1-NE2 2.98Å; H398-H400 VanDerWaalsContact ND1-NE2 3.17Å; H398-H400 PolarHBondContact O-N 2.87Å; H398-K405 WeakPolarHBondContact O-CE 3.39Å; H398-K405 PolarHBondContact O-NZ 3.48Å
399P88.5Confident93.2Very high112 Ų11246.8 Ų46.873%0.72725%0.248SC*.  trans-75.955.9179.632.4-39000113.2
400H89.6Confident93.3Very high17 Ų1744.4 Ų44.48%0.07924%0.236CC..  trans-74.9162.6169.4-64.6-67.7000112N363 V395 H398 D404 K405N363-H400 PolarHBondContact O-CE1 3.45Å; N363-H400 VanDerWaalsContact O-CE1 3.3Å; V395-H400 PolarHBondContact O-CD2 3.04Å; H398-H400 AromaticContact CE1-CE1 3.95Å; H398-H400 AromaticContact CG-CD2 3.88Å; H398-H400 AromaticContact CG-NE2 3.5Å; H398-H400 AromaticContact ND1-CD2 3.55Å; H398-H400 AromaticContact ND1-CE1 3.35Å; H398-H400 PolarHBondContact ND1-CE1 3.44Å; H398-H400 VanDerWaalsContact ND1-CE1 3.35Å; H398-H400 AromaticContact ND1-CG 3.86Å; H398-H400 AromaticContact ND1-ND1 3.75Å; H398-H400 AromaticContact ND1-NE2 3.17Å; H398-H400 PolarHBondContact ND1-NE2 2.98Å; H398-H400 VanDerWaalsContact ND1-NE2 3.17Å; H398-H400 PolarHBondContact O-N 2.87Å; H400-D404 HydrophobicContact CB-CB 4.15Å; H400-K405 HydrophobicContact CB-CG 4.2Å; H400-K405 WeakPolarHBondContact O-CE 3.27Å
401G91Very high93.5Very high37 Ų3735.3 Ų35.338%0.38120%0.202SC..  trans-64.7158.7175.500000112.4Y403 D404 K405G401-Y403 PolarHBondContact O-N 3.41Å; G401-D404 PolarHBondContact N-OD2 3.2Å; G401-D404 WeakPolarHBondContact O-CB 3.42Å; G401-D404 PolarHBondContact O-N 3.15Å; G401-K405 WeakPolarHBondContact O-CG 3.43Å; G401-K405 PolarHBondContact O-N 3.5Å; G401-K405 VanDerWaalsContact O-N 3.11Å
402T93.8Very high93.6Very high73 Ų7335 Ų3545%0.44820%0.198SC..Hα-helixtrans-60.2-45.6-178.5-51.70000111.9D404 K405 I406 V431 I433T402-D404 PolarHBondContact O-N 2.89Å; T402-K405 PolarHBondContact O-N 2.87Å; T402-I406 HydrophobicContact CG2-CD1 4.01Å; T402-I406 WeakPolarHBondContact O-CG1 3.45Å; T402-I406 PolarHBondContact O-N 3.29Å; T402-V431 HydrophobicContact CG2-CG1 4.33Å; T402-I433 HydrophobicContact CG2-CG2 3.5Å; T402-I433 VanDerWaalsContact CG2-CG2 3.5Å
403Y94.6Very high93.6Very high72 Ų7235 Ų3528%0.28220%0.198SC..Hα-helixtrans-59.6-43.6176.9-74.4-92.9000112.2G401 K405 I406 R407 F439 M574 L577 D578G401-Y403 PolarHBondContact O-N 3.41Å; Y403-K405 VanDerWaalsContact C-N 3.31Å; Y403-K405 PolarHBondContact O-N 2.94Å; Y403-I406 WeakPolarHBondContact O-CB 3.23Å; Y403-I406 PolarHBondContact O-N 3.16Å; Y403-R407 VanDerWaalsContact O-CG 3.25Å; Y403-R407 WeakPolarHBondContact O-CG 3.35Å; Y403-R407 PolarHBondContact O-N 2.86Å; Y403-F439 HydrophobicContact CE1-CE1 4.12Å; Y403-F439 HydrophobicContact CE1-CZ 4.39Å; Y403-M574 HydrophobicContact CD1-CB 4.45Å; Y403-M574 HydrophobicContact CD1-CG 4.24Å; Y403-M574 HydrophobicContact CE1-CB 4.46Å; Y403-M574 HydrophobicContact CG-CG 4.45Å; Y403-L577 HydrophobicContact CD1-CB 4.15Å; Y403-L577 HydrophobicContact CD1-CD1 3.75Å; Y403-L577 HydrophobicContact CE1-CB 4.11Å; Y403-D578 WeakPolarHBondContact CE1-OD1 3.37Å; Y403-D578 PolarHBondContact OH-OD1 3.26Å
404D95.1Very high93.7Very high23 Ų2332.3 Ų32.312%0.12318%0.183CC..Hα-helixtrans-59.5-42.7177.2-59.4-25.4000111.9H251 L367 H400 G401 T402 R407 A408H251-D404 IonicContact CE1-OD1 3.73Å; H251-D404 IonicContact NE2-OD1 2.8Å; L367-D404 HydrophobicContact CD2-CB 3.69Å; H400-D404 HydrophobicContact CB-CB 4.15Å; G401-D404 PolarHBondContact N-OD2 3.2Å; G401-D404 WeakPolarHBondContact O-CB 3.42Å; G401-D404 PolarHBondContact O-N 3.15Å; T402-D404 PolarHBondContact O-N 2.89Å; D404-R407 PolarHBondContact O-N 3.22Å; D404-A408 PolarHBondContact O-N 3.34Å
405K95.3Very high93.6Very high29 Ų2929.6 Ų29.613%0.12617%0.166CC..Hα-helixtrans-67.2-40.3176.8-68.7-175.3-178.3-161.90111.8L396 H398 H400 G401 T402 Y403 A408 V409 V431L396-K405 HydrophobicContact CD2-CB 4.35Å; L396-K405 PolarHBondContact O-NZ 3.4Å; H398-K405 WeakPolarHBondContact O-CE 3.39Å; H398-K405 PolarHBondContact O-NZ 3.48Å; H400-K405 HydrophobicContact CB-CG 4.2Å; H400-K405 WeakPolarHBondContact O-CE 3.27Å; G401-K405 WeakPolarHBondContact O-CG 3.43Å; G401-K405 PolarHBondContact O-N 3.5Å; G401-K405 VanDerWaalsContact O-N 3.11Å; T402-K405 PolarHBondContact O-N 2.87Å; Y403-K405 VanDerWaalsContact C-N 3.31Å; Y403-K405 PolarHBondContact O-N 2.94Å; K405-A408 PolarHBondContact O-N 3.47Å; K405-V409 WeakPolarHBondContact O-CG2 3.37Å; K405-V409 PolarHBondContact O-N 2.77Å; K405-V431 HydrophobicContact CB-CG1 3.84Å; K405-V431 HydrophobicContact CB-CG2 4.1Å
406I96.6Very high93.4Very high1 Ų132.7 Ų32.71%0.00518%0.182CC..Hα-helixtrans-59.4-48.5174.1-69.5165.1000110.2T402 Y403 A408 V409 L410 V431 I433 F439 L577T402-I406 HydrophobicContact CG2-CD1 4.01Å; T402-I406 WeakPolarHBondContact O-CG1 3.45Å; T402-I406 PolarHBondContact O-N 3.29Å; Y403-I406 WeakPolarHBondContact O-CB 3.23Å; Y403-I406 PolarHBondContact O-N 3.16Å; I406-A408 PolarHBondContact O-N 3.26Å; I406-V409 PolarHBondContact O-N 3.37Å; I406-L410 HydrophobicContact CG2-CD1 3.79Å; I406-L410 HydrophobicContact CG2-CG 4.28Å; I406-L410 WeakPolarHBondContact O-CG 3.48Å; I406-L410 PolarHBondContact O-N 2.79Å; I406-V431 HydrophobicContact CG1-CG1 4.09Å; I406-I433 HydrophobicContact CD1-CD1 4.27Å; I406-I433 HydrophobicContact CD1-CG2 4.35Å; I406-I433 HydrophobicContact CG1-CD1 3.88Å; I406-F439 HydrophobicContact CD1-CB 4.07Å; I406-F439 HydrophobicContact CD1-CD1 4.37Å; I406-F439 HydrophobicContact CD1-CD2 3.85Å; I406-F439 HydrophobicContact CD1-CE2 4.39Å; I406-F439 HydrophobicContact CD1-CG 3.86Å; I406-F439 HydrophobicContact CG2-CB 4.21Å; I406-L577 HydrophobicContact CG2-CD1 4.17Å; I406-L577 HydrophobicContact CG2-CD2 3.95Å
407R96.9Very high93.3Very high1 Ų134.6 Ų34.60%0.00419%0.192CC..Hα-helixtrans-56.1-49.1177.6-67.4162.172.3158.110.2111.2I249 L250 H251 D261 Y403 D404 V409 L410 L411 L577I249-R407 HydrophobicContact CB-CG 4.34Å; I249-R407 PolarHBondContact O-NE 2.55Å; I249-R407 PolarHBondContact O-NH2 2.93Å; I249-R407 VanDerWaalsContact O-NH2 3.15Å; L250-R407 PolarHBondContact O-NH2 3.33Å; H251-R407 PolarHBondContact CE1-NE 2.96Å; H251-R407 PolarHBondContact CE1-NH1 3.42Å; H251-R407 VanDerWaalsContact CE1-NH1 3.25Å; H251-R407 VanDerWaalsContact N-NH2 3.2Å; H251-R407 PolarHBondContact ND1-NH2 2.93Å; H251-R407 PolarHBondContact NE2-NH1 2.97Å; D261-R407 IonicContact OD1-CZ 3.11Å; D261-R407 IonicContact OD1-NH1 3.58Å; D261-R407 PolarHBondContact OD1-NH1 2.97Å; D261-R407 IonicContact OD1-NH2 3.51Å; D261-R407 IonicContact OD2-CZ 3.48Å; D261-R407 IonicContact OD2-NH1 2.87Å; D261-R407 PolarHBondContact OD2-NH1 3.33Å; D261-R407 IonicContact OD2-NH2 2.89Å; D261-R407 PolarHBondContact OD2-NH2 3.04Å; Y403-R407 VanDerWaalsContact O-CG 3.25Å; Y403-R407 WeakPolarHBondContact O-CG 3.35Å; Y403-R407 PolarHBondContact O-N 2.86Å; D404-R407 PolarHBondContact O-N 3.22Å; R407-V409 PolarHBondContact O-N 2.61Å; R407-L410 PolarHBondContact O-N 3.15Å; R407-L411 WeakPolarHBondContact O-CG 3.4Å; R407-L411 PolarHBondContact O-N 3.11Å; R407-L577 HydrophobicContact CG-CD1 3.92Å
408A96.1Very high93.2Very high1 Ų128.9 Ų28.91%0.00816%0.163CC..Hα-helixtrans-61.2-41177.800000113L367 L392 V395 D404 K405 I406 L411 Y412L367-A408 HydrophobicContact CD1-CB 4.27Å; L392-A408 HydrophobicContact CD1-CB 3.73Å; V395-A408 HydrophobicContact CG1-CB 3.89Å; D404-A408 PolarHBondContact O-N 3.34Å; K405-A408 PolarHBondContact O-N 3.47Å; I406-A408 PolarHBondContact O-N 3.26Å; A408-L411 PolarHBondContact O-N 3.28Å; A408-Y412 PolarHBondContact O-N 2.89Å
409V96.9Very high93.3Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-65.1-42.8175.5169.20000111.5L392 L396 K405 I406 R407 Y412 I413 L427 V431 I440L392-V409 HydrophobicContact CD1-CG2 4.34Å; L392-V409 HydrophobicContact CD2-CG2 4.29Å; L396-V409 HydrophobicContact CD2-CG2 3.87Å; K405-V409 WeakPolarHBondContact O-CG2 3.37Å; K405-V409 PolarHBondContact O-N 2.77Å; I406-V409 PolarHBondContact O-N 3.37Å; R407-V409 PolarHBondContact O-N 2.61Å; V409-Y412 WeakPolarHBondContact O-CB 3.34Å; V409-Y412 PolarHBondContact O-N 3.36Å; V409-I413 HydrophobicContact CG1-CD1 3.87Å; V409-I413 HydrophobicContact CG1-CG1 4.44Å; V409-I413 WeakPolarHBondContact O-CG1 3.5Å; V409-I413 PolarHBondContact O-N 3.43Å; V409-L427 HydrophobicContact CG1-CB 4.29Å; V409-L427 HydrophobicContact CG1-CD1 4.18Å; V409-V431 HydrophobicContact CG2-CG2 3.84Å; V409-I440 HydrophobicContact CG1-CD1 3.77Å
410L97.3Very high93.5Very high0 Ų024.8 Ų24.80%014%0.141CC..Hα-helixtrans-61.8-45.1176.9-73.5170000111.5I249 I406 R407 Y412 I413 F414 I440 W443 L577I249-L410 HydrophobicContact CD1-CB 3.59Å; I249-L410 HydrophobicContact CD1-CD1 4.25Å; I406-L410 HydrophobicContact CG2-CD1 3.79Å; I406-L410 HydrophobicContact CG2-CG 4.28Å; I406-L410 WeakPolarHBondContact O-CG 3.48Å; I406-L410 PolarHBondContact O-N 2.79Å; R407-L410 PolarHBondContact O-N 3.15Å; L410-Y412 VanDerWaalsContact C-N 3.3Å; L410-Y412 PolarHBondContact O-N 2.85Å; L410-I413 PolarHBondContact O-N 2.89Å; L410-I413 VanDerWaalsContact O-N 3.11Å; L410-F414 HydrophobicContact CB-CE2 3.96Å; L410-F414 HydrophobicContact CB-CZ 4.03Å; L410-F414 HydrophobicContact CD2-CE1 4.3Å; L410-F414 HydrophobicContact CD2-CZ 3.94Å; L410-F414 HydrophobicContact CG-CZ 4.49Å; L410-F414 WeakPolarHBondContact O-CB 3.36Å; L410-F414 WeakPolarHBondContact O-CD1 3.36Å; L410-F414 WeakPolarHBondContact O-CD2 3.44Å; L410-F414 WeakPolarHBondContact O-CG 3.41Å; L410-F414 PolarHBondContact O-N 3.35Å; L410-I440 HydrophobicContact CD2-CB 4.39Å; L410-I440 HydrophobicContact CD2-CG1 4.28Å; L410-I440 HydrophobicContact CD2-CG2 4.07Å; L410-W443 HydrophobicContact CD1-CZ2 3.83Å; L410-W443 HydrophobicContact CD2-CD2 4.45Å; L410-W443 HydrophobicContact CD2-CG 4.18Å; L410-L577 HydrophobicContact CD1-CD2 3.6Å
411L96.7Very high93.6Very high1 Ų129.4 Ų29.41%0.00516%0.162CC..Hα-helixtrans-59.2-41.2175.1-68.7171.2000111.9V246 I249 L250 E371 L374 A375 R407 A408 F414 S415V246-L411 HydrophobicContact CB-CD2 4.37Å; V246-L411 HydrophobicContact CG1-CD2 3.74Å; V246-L411 HydrophobicContact CG2-CD2 4.38Å; I249-L411 HydrophobicContact CD1-CD2 3.86Å; I249-L411 HydrophobicContact CD1-CG 3.91Å; I249-L411 HydrophobicContact CG1-CD2 4.08Å; I249-L411 HydrophobicContact CG1-CG 4.43Å; L250-L411 HydrophobicContact CD2-CD1 3.66Å; L250-L411 HydrophobicContact CD2-CD2 3.95Å; L250-L411 HydrophobicContact CD2-CG 4.47Å; L250-L411 HydrophobicContact CG-CD2 4.19Å; E371-L411 HydrophobicContact CB-CD1 3.64Å; E371-L411 HydrophobicContact CG-CD1 3.56Å; L374-L411 HydrophobicContact CB-CB 4.11Å; L374-L411 HydrophobicContact CD1-CB 4.32Å; A375-L411 HydrophobicContact CB-CD2 4.38Å; R407-L411 WeakPolarHBondContact O-CG 3.4Å; R407-L411 PolarHBondContact O-N 3.11Å; A408-L411 PolarHBondContact O-N 3.28Å; L411-F414 PolarHBondContact O-N 3.45Å; L411-S415 VanDerWaalsContact O-CB 3.26Å; L411-S415 WeakPolarHBondContact O-CB 3.27Å; L411-S415 PolarHBondContact O-N 2.84Å
412Y95.9Very high93.7Very high21 Ų2133.7 Ų33.78%0.08217%0.172CC..Hα-helixtrans-59.3-48.1172.7166.5-92.6000111.9P388 M389 L392 A408 V409 L410 F414 S415 L416 N423 L427P388-Y412 HydrophobicContact CB-CD2 3.75Å; P388-Y412 HydrophobicContact CB-CE2 3.89Å; M389-Y412 HydrophobicContact CB-CE2 4.16Å; M389-Y412 HydrophobicContact SD-CE2 4.37Å; L392-Y412 HydrophobicContact CB-CD2 4.45Å; L392-Y412 HydrophobicContact CD2-CD1 4.09Å; L392-Y412 HydrophobicContact CD2-CD2 4.07Å; L392-Y412 HydrophobicContact CD2-CG 3.7Å; A408-Y412 PolarHBondContact O-N 2.89Å; V409-Y412 WeakPolarHBondContact O-CB 3.34Å; V409-Y412 PolarHBondContact O-N 3.36Å; L410-Y412 VanDerWaalsContact C-N 3.3Å; L410-Y412 PolarHBondContact O-N 2.85Å; Y412-F414 PolarHBondContact O-N 3.34Å; Y412-S415 PolarHBondContact O-N 3.45Å; Y412-S415 PolarHBondContact O-OG 3.39Å; Y412-L416 HydrophobicContact CD2-CD1 4.35Å; Y412-L416 HydrophobicContact CE1-CD1 3.84Å; Y412-L416 HydrophobicContact CE2-CD1 3.66Å; Y412-L416 PolarHBondContact O-N 3.18Å; Y412-L416 WeakPolarHBondContact OH-CD1 3.2Å; Y412-N423 PolarHBondContact OH-ND2 3.12Å; Y412-L427 HydrophobicContact CD1-CD1 3.99Å; Y412-L427 HydrophobicContact CE1-CD1 3.86Å
413I94.9Very high93.7Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-62.4-45179.4-65.8169.2000110.8V409 L410 S415 L416 N417 G418 T419 L424 I440 I450V409-I413 HydrophobicContact CG1-CD1 3.87Å; V409-I413 HydrophobicContact CG1-CG1 4.44Å; V409-I413 WeakPolarHBondContact O-CG1 3.5Å; V409-I413 PolarHBondContact O-N 3.43Å; L410-I413 PolarHBondContact O-N 2.89Å; L410-I413 VanDerWaalsContact O-N 3.11Å; I413-S415 VanDerWaalsContact C-N 3.31Å; I413-S415 PolarHBondContact O-N 3.35Å; I413-L416 PolarHBondContact O-N 3.22Å; I413-L416 VanDerWaalsContact O-N 3.17Å; I413-N417 PolarHBondContact O-N 3.13Å; I413-G418 PolarHBondContact O-N 3.45Å; I413-T419 HydrophobicContact CD1-CG2 4.27Å; I413-T419 HydrophobicContact CG1-CG2 3.99Å; I413-L424 HydrophobicContact CD1-CD1 3.93Å; I413-I440 HydrophobicContact CD1-CG2 3.61Å; I413-I450 HydrophobicContact CG2-CD1 3.94Å; I413-I450 HydrophobicContact CG2-CG2 4.49Å
414F92.7Very high93.7Very high13 Ų1328.5 Ų28.56%0.05715%0.147CC..Hα-helixtrans-65.3-35.6177.8-57.3-21.1000111.7P245 V246 I249 L410 L411 Y412 L416 N417 W443 V448 I450 R461P245-F414 HydrophobicContact CB-CD2 4.09Å; P245-F414 HydrophobicContact CB-CE1 4.38Å; P245-F414 HydrophobicContact CB-CE2 3.65Å; P245-F414 HydrophobicContact CB-CZ 3.83Å; P245-F414 HydrophobicContact CG-CD1 4.46Å; P245-F414 HydrophobicContact CG-CD2 4.04Å; P245-F414 HydrophobicContact CG-CE2 4.11Å; P245-F414 HydrophobicContact CG-CG 4.23Å; P245-F414 HydrophobicContact CG-CZ 4.38Å; P245-F414 WeakPolarHBondContact O-CE2 3.36Å; V246-F414 HydrophobicContact CG2-CB 4.1Å; V246-F414 HydrophobicContact CG2-CD2 3.93Å; V246-F414 HydrophobicContact CG2-CG 4.46Å; I249-F414 HydrophobicContact CD1-CD2 4.12Å; I249-F414 HydrophobicContact CD1-CE2 3.61Å; L410-F414 HydrophobicContact CB-CE2 3.96Å; L410-F414 HydrophobicContact CB-CZ 4.03Å; L410-F414 HydrophobicContact CD2-CE1 4.3Å; L410-F414 HydrophobicContact CD2-CZ 3.94Å; L410-F414 HydrophobicContact CG-CZ 4.49Å; L410-F414 WeakPolarHBondContact O-CB 3.36Å; L410-F414 WeakPolarHBondContact O-CD1 3.36Å; L410-F414 WeakPolarHBondContact O-CD2 3.44Å; L410-F414 WeakPolarHBondContact O-CG 3.41Å; L410-F414 PolarHBondContact O-N 3.35Å; L411-F414 PolarHBondContact O-N 3.45Å; Y412-F414 PolarHBondContact O-N 3.34Å; F414-L416 PolarHBondContact O-N 3.23Å; F414-N417 PolarHBondContact O-N 3.33Å; F414-N417 PolarHBondContact O-OD1 2.76Å; F414-W443 HydrophobicContact CE1-CD2 4.42Å; F414-W443 HydrophobicContact CE1-CE3 4.38Å; F414-W443 HydrophobicContact CE2-CE3 4.43Å; F414-W443 HydrophobicContact CE2-CH2 4.33Å; F414-W443 HydrophobicContact CE2-CZ3 4.26Å; F414-W443 AromaticContact CZ-CD2 3.7Å; F414-W443 HydrophobicContact CZ-CD2 3.7Å; F414-W443 AromaticContact CZ-CE3 3.63Å; F414-W443 HydrophobicContact CZ-CE3 3.63Å; F414-W443 HydrophobicContact CZ-CG 4.29Å; F414-W443 HydrophobicContact CZ-CH2 4.2Å; F414-W443 HydrophobicContact CZ-CZ2 4.28Å; F414-W443 AromaticContact CZ-CZ3 3.9Å; F414-W443 HydrophobicContact CZ-CZ3 3.9Å; F414-V448 HydrophobicContact CD1-CG1 3.71Å; F414-V448 HydrophobicContact CE1-CG1 3.41Å; F414-V448 VanDerWaalsContact CE1-CG1 3.41Å; F414-V448 HydrophobicContact CZ-CG1 4.18Å; F414-I450 HydrophobicContact CE1-CD1 3.93Å; F414-R461 PolarHBondContact O-NH2 2.81Å
415S91Very high93.7Very high22 Ų2230.2 Ų30.215%0.15416%0.156CC..Hα-helixtrans-64.6-21.817682.60000113.4L374 L411 Y412 I413 R461L374-S415 VanDerWaalsContact O-CB 3.27Å; L374-S415 WeakPolarHBondContact O-CB 3.38Å; L411-S415 VanDerWaalsContact O-CB 3.26Å; L411-S415 WeakPolarHBondContact O-CB 3.27Å; L411-S415 PolarHBondContact O-N 2.84Å; Y412-S415 PolarHBondContact O-N 3.45Å; Y412-S415 PolarHBondContact O-OG 3.39Å; I413-S415 VanDerWaalsContact C-N 3.31Å; I413-S415 PolarHBondContact O-N 3.35Å; S415-R461 VanDerWaalsContact CA-NH2 3.34Å; S415-R461 PolarHBondContact O-NH2 2.9Å
416L89.4Confident93.6Very high73 Ų7333.6 Ų33.638%0.38217%0.171SC..Hα-helixtrans-104.8-5.3177.7-64.5-179.4000113.6P388 Y412 I413 F414 G418P388-L416 HydrophobicContact CG-CD2 4.01Å; Y412-L416 HydrophobicContact CD2-CD1 4.35Å; Y412-L416 HydrophobicContact CE1-CD1 3.84Å; Y412-L416 HydrophobicContact CE2-CD1 3.66Å; Y412-L416 PolarHBondContact O-N 3.18Å; Y412-L416 WeakPolarHBondContact OH-CD1 3.2Å; I413-L416 PolarHBondContact O-N 3.22Å; I413-L416 VanDerWaalsContact O-N 3.17Å; F414-L416 PolarHBondContact O-N 3.23Å; L416-G418 VanDerWaalsContact C-N 3.31Å; L416-G418 VanDerWaalsContact CB-O 3.31Å; L416-G418 WeakPolarHBondContact CB-O 3.43Å
417N87.4Confident93.5Very high45 Ų4533.6 Ų33.624%0.24117%0.171CC..THydrogen-bonded Turntrans55.744.9-169-57.6-21.7000112.1I413 F414 R461I413-N417 PolarHBondContact O-N 3.13Å; F414-N417 PolarHBondContact O-N 3.33Å; F414-N417 PolarHBondContact O-OD1 2.76Å; N417-R461 PolarHBondContact OD1-NE 3.29Å; N417-R461 PolarHBondContact OD1-NH2 2.87Å
418G89.2Confident93.4Very high3 Ų333.9 Ų33.93%0.03117%0.172CC..  trans112.8165.8-179.200000113.5I413 L416 I450 S452I413-G418 PolarHBondContact O-N 3.45Å; L416-G418 VanDerWaalsContact C-N 3.31Å; L416-G418 VanDerWaalsContact CB-O 3.31Å; L416-G418 WeakPolarHBondContact CB-O 3.43Å; G418-I450 CarbonylContact C-O 3.6Å; G418-I450 WeakPolarHBondContact CA-O 3.4Å; G418-S452 WeakPolarHBondContact CA-OG 3.21Å; G418-S452 PolarHBondContact O-OG 2.95Å
419T91.6Very high93.2Very high7 Ų739.5 Ų39.54%0.04320%0.198CC..BIsolated β-bridgetrans-135.3166.8176.8179.80000110.7I413 N423 L424 I450 I451 S452I413-T419 HydrophobicContact CD1-CG2 4.27Å; I413-T419 HydrophobicContact CG1-CG2 3.99Å; T419-N423 WeakPolarHBondContact OG1-CB 3.48Å; T419-N423 PolarHBondContact OG1-ND2 2.93Å; T419-L424 HydrophobicContact CG2-CB 3.89Å; T419-L424 HydrophobicContact CG2-CD1 4.33Å; T419-I450 PolarHBondContact N-O 3.49Å; T419-I451 CarbonylContact O-C 3.55Å; T419-I451 VanDerWaalsContact O-CA 3.27Å; T419-I451 WeakPolarHBondContact O-CA 3.35Å; T419-S452 PolarHBondContact N-OG 3.3Å; T419-S452 PolarHBondContact O-N 3.41Å
420T92.5Very high92.9Very high82 Ų8244.2 Ų44.250%0.50322%0.22SC..  trans-70.7152.9169.565.80000111.1E422 N423 L424T420-E422 VanDerWaalsContact C-N 3.31Å; T420-E422 PolarHBondContact O-N 3.25Å; T420-N423 PolarHBondContact O-N 2.9Å; T420-N423 VanDerWaalsContact OG1-CB 3.32Å; T420-N423 WeakPolarHBondContact OG1-CB 3.47Å; T420-N423 PolarHBondContact OG1-N 3.18Å; T420-L424 WeakPolarHBondContact O-CB 3.42Å; T420-L424 PolarHBondContact O-N 3.37Å
421E91.8Very high92.6Very high113 Ų11344.5 Ų44.553%0.52822%0.222SC..Hα-helixtrans-60.8-39.2177.9-173.9173.1-167.200112.2N423 L424 N425E421-N423 PolarHBondContact O-N 3Å; E421-L424 PolarHBondContact O-N 2.9Å; E421-N425 VanDerWaalsContact O-CG 3.31Å; E421-N425 PolarHBondContact O-N 2.77Å; E421-N425 PolarHBondContact O-ND2 3.46Å
422E92.9Very high92.3Very high127 Ų12752.4 Ų52.459%0.59326%0.256SS*.Hα-helixtrans-62-45.5176.6-168.6-165.6154.800111.8T420 N425 K426T420-E422 VanDerWaalsContact C-N 3.31Å; T420-E422 PolarHBondContact O-N 3.25Å; E422-N425 PolarHBondContact O-N 2.94Å; E422-K426 WeakPolarHBondContact O-CG 3.4Å; E422-K426 PolarHBondContact O-N 2.84Å; E422-K426 WeakPolarHBondContact OE1-CE 3.39Å; E422-K426 IonicContact OE1-NZ 2.68Å; E422-K426 PolarHBondContact OE1-NZ 3.19Å
423N93.6Very high92.1Very high36 Ų3651.7 Ų51.719%0.19325%0.254CS..Hα-helixtrans-67.7-38.5178.3-173.954.6000111.3Y412 T419 T420 E421 N425 K426 L427Y412-N423 PolarHBondContact OH-ND2 3.12Å; T419-N423 WeakPolarHBondContact OG1-CB 3.48Å; T419-N423 PolarHBondContact OG1-ND2 2.93Å; T420-N423 PolarHBondContact O-N 2.9Å; T420-N423 VanDerWaalsContact OG1-CB 3.32Å; T420-N423 WeakPolarHBondContact OG1-CB 3.47Å; T420-N423 PolarHBondContact OG1-N 3.18Å; E421-N423 PolarHBondContact O-N 3Å; N423-N425 PolarHBondContact O-N 2.99Å; N423-K426 PolarHBondContact O-N 3.24Å; N423-L427 WeakPolarHBondContact O-CG 3.21Å; N423-L427 PolarHBondContact O-N 3.27Å
424L94.6Very high91.9Very high1 Ų156.3 Ų56.31%0.00528%0.275CS..Hα-helixtrans-59.7-45.9175.5-179.358.7000112I413 T419 T420 E421 K426 L427 I428 I440 L441 I450 I451I413-L424 HydrophobicContact CD1-CD1 3.93Å; T419-L424 HydrophobicContact CG2-CB 3.89Å; T419-L424 HydrophobicContact CG2-CD1 4.33Å; T420-L424 WeakPolarHBondContact O-CB 3.42Å; T420-L424 PolarHBondContact O-N 3.37Å; E421-L424 PolarHBondContact O-N 2.9Å; L424-K426 VanDerWaalsContact C-N 3.3Å; L424-K426 PolarHBondContact O-N 2.78Å; L424-L427 PolarHBondContact O-N 2.81Å; L424-L427 VanDerWaalsContact O-N 3.15Å; L424-I428 HydrophobicContact CD1-CD1 4.17Å; L424-I428 HydrophobicContact CD1-CG1 4.39Å; L424-I428 HydrophobicContact CG-CD1 3.95Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 2.88Å; L424-I440 HydrophobicContact CD1-CG2 3.83Å; L424-L441 HydrophobicContact CD2-CD2 3.64Å; L424-I450 HydrophobicContact CD2-CG2 4Å; L424-I451 HydrophobicContact CD2-CD1 4.44Å; L424-I451 HydrophobicContact CD2-CG1 4.14Å
425N94.3Very high91.7Very high59 Ų5964 Ų6432%0.31631%0.311SS..Hα-helixtrans-62.1-37.7178.2-71.2-27.2000111.9E421 E422 N423 I428 Q429E421-N425 VanDerWaalsContact O-CG 3.31Å; E421-N425 PolarHBondContact O-N 2.77Å; E421-N425 PolarHBondContact O-ND2 3.46Å; E422-N425 PolarHBondContact O-N 2.94Å; N423-N425 PolarHBondContact O-N 2.99Å; N425-I428 PolarHBondContact O-N 2.68Å; N425-Q429 WeakPolarHBondContact O-CG 3.47Å; N425-Q429 PolarHBondContact O-N 3.49Å; N425-Q429 VanDerWaalsContact O-N 3.09Å
426K94.1Very high91.6Very high99 Ų9965.9 Ų65.943%0.4332%0.32SS..Hα-helixtrans-64.2-42.7173.5-69173.4-173.1168.30111.9E422 N423 L424 Q429 H430E422-K426 WeakPolarHBondContact O-CG 3.4Å; E422-K426 PolarHBondContact O-N 2.84Å; E422-K426 WeakPolarHBondContact OE1-CE 3.39Å; E422-K426 IonicContact OE1-NZ 2.68Å; E422-K426 PolarHBondContact OE1-NZ 3.19Å; N423-K426 PolarHBondContact O-N 3.24Å; L424-K426 VanDerWaalsContact C-N 3.3Å; L424-K426 PolarHBondContact O-N 2.78Å; K426-Q429 PolarHBondContact O-N 3.05Å; K426-H430 PolarHBondContact O-CD2 3.09Å; K426-H430 VanDerWaalsContact O-CD2 3.27Å; K426-H430 PolarHBondContact O-N 3.38Å
427L94.3Very high91.8Very high1 Ų167 Ų671%0.00532%0.319CS..Hα-helixtrans-62.7-44.6177.1-68.3171.2000111.4M389 L392 L396 V409 Y412 N423 L424 Q429 H430 V431M389-L427 HydrophobicContact CE-CD2 4.03Å; M389-L427 HydrophobicContact SD-CD2 4.33Å; L392-L427 HydrophobicContact CD2-CD2 3.81Å; L396-L427 HydrophobicContact CD1-CD2 3.88Å; V409-L427 HydrophobicContact CG1-CB 4.29Å; V409-L427 HydrophobicContact CG1-CD1 4.18Å; Y412-L427 HydrophobicContact CD1-CD1 3.99Å; Y412-L427 HydrophobicContact CE1-CD1 3.86Å; N423-L427 WeakPolarHBondContact O-CG 3.21Å; N423-L427 PolarHBondContact O-N 3.27Å; L424-L427 PolarHBondContact O-N 2.81Å; L424-L427 VanDerWaalsContact O-N 3.15Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; L427-Q429 PolarHBondContact O-N 2.92Å; L427-H430 PolarHBondContact O-N 3.26Å; L427-V431 WeakPolarHBondContact O-CG2 3.33Å; L427-V431 PolarHBondContact O-N 2.68Å
428I93.8Very high92.2Very high7 Ų767.1 Ų67.14%0.03632%0.318CS..Hα-helixtrans-57.3-45.4176.3-73.8168.1000111.2L424 N425 H430 V431 K432 I433 E434 R437 I440L424-I428 HydrophobicContact CD1-CD1 4.17Å; L424-I428 HydrophobicContact CD1-CG1 4.39Å; L424-I428 HydrophobicContact CG-CD1 3.95Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 2.88Å; N425-I428 PolarHBondContact O-N 2.68Å; I428-H430 PolarHBondContact O-N 3.21Å; I428-V431 PolarHBondContact O-N 3.13Å; I428-K432 PolarHBondContact O-N 3.41Å; I428-I433 HydrophobicContact CG2-CG1 4.14Å; I428-I433 PolarHBondContact O-N 3.46Å; I428-E434 HydrophobicContact CG2-CG 4.39Å; I428-R437 HydrophobicContact CD1-CB 3.99Å; I428-I440 HydrophobicContact CG1-CD1 4.19Å
429Q92.7Very high92.4Very high120 Ų12067.6 Ų67.656%0.56132%0.319SS*.Hα-helixtrans-63.9-39.5176.8-72.3172.70.200112.6N425 K426 L427 V431 K432 E434N425-Q429 WeakPolarHBondContact O-CG 3.47Å; N425-Q429 PolarHBondContact O-N 3.49Å; N425-Q429 VanDerWaalsContact O-N 3.09Å; K426-Q429 PolarHBondContact O-N 3.05Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; L427-Q429 PolarHBondContact O-N 2.92Å; Q429-V431 VanDerWaalsContact C-N 3.32Å; Q429-V431 PolarHBondContact O-N 3.23Å; Q429-K432 PolarHBondContact O-N 2.99Å; Q429-E434 HydrophobicContact CG-CG 4.4Å
430H89.4Confident92.6Very high98 Ų9867.2 Ų67.245%0.45432%0.317SS..Hα-helixtrans-65.9-34176.6-89.4-72.5000113.1L396 K426 L427 I428L396-H430 HydrophobicContact CD1-CB 4.35Å; K426-H430 PolarHBondContact O-CD2 3.09Å; K426-H430 VanDerWaalsContact O-CD2 3.27Å; K426-H430 PolarHBondContact O-N 3.38Å; L427-H430 PolarHBondContact O-N 3.26Å; I428-H430 PolarHBondContact O-N 3.21Å
431V90.9Very high92.7Very high7 Ų764.1 Ų64.14%0.04230%0.297CS..Hα-helixtrans-80.6-19.1177.1-177.50000112.1L396 T402 K405 I406 V409 L427 I428 Q429 I433L396-V431 HydrophobicContact CD2-CG2 3.78Å; T402-V431 HydrophobicContact CG2-CG1 4.33Å; K405-V431 HydrophobicContact CB-CG1 3.84Å; K405-V431 HydrophobicContact CB-CG2 4.1Å; I406-V431 HydrophobicContact CG1-CG1 4.09Å; V409-V431 HydrophobicContact CG2-CG2 3.84Å; L427-V431 WeakPolarHBondContact O-CG2 3.33Å; L427-V431 PolarHBondContact O-N 2.68Å; I428-V431 PolarHBondContact O-N 3.13Å; Q429-V431 VanDerWaalsContact C-N 3.32Å; Q429-V431 PolarHBondContact O-N 3.23Å; V431-I433 HydrophobicContact CB-CD1 4.23Å; V431-I433 HydrophobicContact CB-CG1 4.06Å; V431-I433 HydrophobicContact CG1-CD1 3.95Å; V431-I433 HydrophobicContact CG1-CG1 4.03Å; V431-I433 HydrophobicContact CG1-CG2 3.87Å
432K91.3Very high92.8Very high167 Ų16759 Ų5973%0.72627%0.274SS*.THydrogen-bonded Turntrans65.747.9-177.2-50.7-179.7-176.1-176.20113.3I428 Q429 E434I428-K432 PolarHBondContact O-N 3.41Å; Q429-K432 PolarHBondContact O-N 2.99Å; K432-E434 VanDerWaalsContact CA-OE2 3.28Å; K432-E434 WeakPolarHBondContact CA-OE2 3.34Å
433I91.4Very high92.9Very high5 Ų553 Ų533%0.02625%0.245CC..  trans-123.336.1-179.858172.6000111.3T402 I406 I428 V431 E435 D436 R437 I440T402-I433 HydrophobicContact CG2-CG2 3.5Å; T402-I433 VanDerWaalsContact CG2-CG2 3.5Å; I406-I433 HydrophobicContact CD1-CD1 4.27Å; I406-I433 HydrophobicContact CD1-CG2 4.35Å; I406-I433 HydrophobicContact CG1-CD1 3.88Å; I428-I433 HydrophobicContact CG2-CG1 4.14Å; I428-I433 PolarHBondContact O-N 3.46Å; V431-I433 HydrophobicContact CB-CD1 4.23Å; V431-I433 HydrophobicContact CB-CG1 4.06Å; V431-I433 HydrophobicContact CG1-CD1 3.95Å; V431-I433 HydrophobicContact CG1-CG1 4.03Å; V431-I433 HydrophobicContact CG1-CG2 3.87Å; I433-E435 PolarHBondContact O-N 3.14Å; I433-D436 HydrophobicContact CB-CB 4.4Å; I433-D436 CarbonylContact O-C 3.32Å; I433-D436 VanDerWaalsContact O-C 3.32Å; I433-D436 PolarHBondContact O-N 3.19Å; I433-R437 PolarHBondContact O-N 3.37Å; I433-R437 VanDerWaalsContact O-N 3.11Å; I433-I440 HydrophobicContact CD1-CD1 3.88Å; I433-I440 HydrophobicContact CD1-CG1 4.44Å
434E90.1Very high92.7Very high98 Ų9858.4 Ų58.446%0.45826%0.263SS..G310 helixtrans-57.8-37.1-177.3-64.589160.100112.5I428 Q429 K432I428-E434 HydrophobicContact CG2-CG 4.39Å; Q429-E434 HydrophobicContact CG-CG 4.4Å; K432-E434 VanDerWaalsContact CA-OE2 3.28Å; K432-E434 WeakPolarHBondContact CA-OE2 3.34Å
435E88.7Confident92.4Very high173 Ų17360.2 Ų60.281%0.80827%0.272SS*.G310 helixtrans-80.8-14.8177.2-60.2-65.8156.200113.3I433I433-E435 PolarHBondContact O-N 3.14Å
436D90.6Very high92.3Very high63 Ų6357.4 Ų57.434%0.33726%0.257SS..G310 helixtrans-125.733.2-173.4-64-55.7000112.2I433 E438 F439 Q581I433-D436 HydrophobicContact CB-CB 4.4Å; I433-D436 CarbonylContact O-C 3.32Å; I433-D436 VanDerWaalsContact O-C 3.32Å; I433-D436 PolarHBondContact O-N 3.19Å; D436-E438 PolarHBondContact O-N 3.5Å; D436-F439 HydrophobicContact CB-CD2 3.71Å; D436-F439 HydrophobicContact CB-CE2 3.78Å; D436-F439 VanDerWaalsContact O-CD2 3.26Å; D436-F439 WeakPolarHBondContact O-CD2 3.21Å; D436-F439 PolarHBondContact O-N 3.41Å; D436-F439 VanDerWaalsContact O-N 3.15Å; D436-Q581 PolarHBondContact OD1-NE2 3.18Å
437R93.3Very high91.9Very high95 Ų9553.2 Ų53.236%0.35824%0.241SC..THydrogen-bonded Turntrans-57-19.2179.761.5-170.6-58.8-130.64.3113.9I428 I433 F439 I440 L441I428-R437 HydrophobicContact CD1-CB 3.99Å; I433-R437 PolarHBondContact O-N 3.37Å; I433-R437 VanDerWaalsContact O-N 3.11Å; R437-F439 PolarHBondContact O-N 3.12Å; R437-I440 PolarHBondContact O-N 2.86Å; R437-I440 VanDerWaalsContact O-N 3.1Å; R437-L441 HydrophobicContact CB-CD1 4.2Å; R437-L441 HydrophobicContact CG-CD1 3.98Å; R437-L441 PolarHBondContact O-N 2.75Å
438E94.2Very high91.7Very high49 Ų4953.5 Ų53.523%0.22924%0.243CC..Hα-helixtrans-57.5-29.4176.1-7168-150.900112.9D436 I440 N442 Q581 S584D436-E438 PolarHBondContact O-N 3.5Å; E438-I440 PolarHBondContact O-N 3.13Å; E438-I440 VanDerWaalsContact O-N 3.12Å; E438-N442 WeakPolarHBondContact O-CB 3.35Å; E438-N442 PolarHBondContact O-N 3.46Å; E438-Q581 HydrophobicContact CB-CG 3.96Å; E438-S584 WeakPolarHBondContact CG-OG 3.17Å
439F95Very high91.4Very high12 Ų1254.1 Ų54.15%0.05325%0.248CC..Hα-helixtrans-55-29.9173.9-81.4-65.3000112.9Y403 I406 D436 R437 W443 L577 Q581Y403-F439 HydrophobicContact CE1-CE1 4.12Å; Y403-F439 HydrophobicContact CE1-CZ 4.39Å; I406-F439 HydrophobicContact CD1-CB 4.07Å; I406-F439 HydrophobicContact CD1-CD1 4.37Å; I406-F439 HydrophobicContact CD1-CD2 3.85Å; I406-F439 HydrophobicContact CD1-CE2 4.39Å; I406-F439 HydrophobicContact CD1-CG 3.86Å; I406-F439 HydrophobicContact CG2-CB 4.21Å; D436-F439 HydrophobicContact CB-CD2 3.71Å; D436-F439 HydrophobicContact CB-CE2 3.78Å; D436-F439 VanDerWaalsContact O-CD2 3.26Å; D436-F439 WeakPolarHBondContact O-CD2 3.21Å; D436-F439 PolarHBondContact O-N 3.41Å; D436-F439 VanDerWaalsContact O-N 3.15Å; R437-F439 PolarHBondContact O-N 3.12Å; F439-W443 VanDerWaalsContact O-CD1 3.23Å; F439-W443 PolarHBondContact O-NE1 3.15Å; F439-W443 VanDerWaalsContact O-NE1 3.12Å; F439-L577 HydrophobicContact CD1-CB 3.98Å; F439-L577 VanDerWaalsContact CD1-O 3.27Å; F439-L577 WeakPolarHBondContact CD1-O 3.27Å; F439-L577 HydrophobicContact CE1-CB 4.08Å; F439-L577 WeakPolarHBondContact CE1-O 3.32Å; F439-Q581 HydrophobicContact CD1-CB 3.71Å; F439-Q581 HydrophobicContact CD1-CG 4.07Å; F439-Q581 HydrophobicContact CD2-CG 3.99Å; F439-Q581 HydrophobicContact CE1-CB 3.64Å; F439-Q581 HydrophobicContact CE1-CG 3.99Å; F439-Q581 HydrophobicContact CE2-CB 4.47Å; F439-Q581 VanDerWaalsContact CE2-CD 3.48Å; F439-Q581 HydrophobicContact CE2-CG 3.9Å; F439-Q581 HydrophobicContact CG-CB 4.15Å; F439-Q581 HydrophobicContact CG-CG 4.05Å; F439-Q581 HydrophobicContact CZ-CB 4.04Å; F439-Q581 VanDerWaalsContact CZ-CD 3.4Å; F439-Q581 HydrophobicContact CZ-CG 3.89Å
440I96.1Very high91.3Very high0 Ų048.7 Ų48.70%022%0.222CC..Hα-helixtrans-103.9-44.8-179.2-59.8172.2000111.1V409 L410 I413 L424 I428 I433 R437 E438 N442 I450V409-I440 HydrophobicContact CG1-CD1 3.77Å; L410-I440 HydrophobicContact CD2-CB 4.39Å; L410-I440 HydrophobicContact CD2-CG1 4.28Å; L410-I440 HydrophobicContact CD2-CG2 4.07Å; I413-I440 HydrophobicContact CD1-CG2 3.61Å; L424-I440 HydrophobicContact CD1-CG2 3.83Å; I428-I440 HydrophobicContact CG1-CD1 4.19Å; I433-I440 HydrophobicContact CD1-CD1 3.88Å; I433-I440 HydrophobicContact CD1-CG1 4.44Å; R437-I440 PolarHBondContact O-N 2.86Å; R437-I440 VanDerWaalsContact O-N 3.1Å; E438-I440 PolarHBondContact O-N 3.13Å; E438-I440 VanDerWaalsContact O-N 3.12Å; I440-N442 PolarHBondContact O-N 2.93Å; I440-I450 HydrophobicContact CG2-CG2 3.98Å
441L94Very high91.3Very high17 Ų1747.2 Ų47.29%0.08922%0.217CC..Hα-helixtrans-70.2-34.8-171.9-69.7174.5000113.9L424 R437 W443 R444 I450L424-L441 HydrophobicContact CD2-CD2 3.64Å; R437-L441 HydrophobicContact CB-CD1 4.2Å; R437-L441 HydrophobicContact CG-CD1 3.98Å; R437-L441 PolarHBondContact O-N 2.75Å; L441-W443 PolarHBondContact O-N 3.04Å; L441-R444 WeakPolarHBondContact O-CD 3.17Å; L441-R444 VanDerWaalsContact O-CG 3.24Å; L441-R444 WeakPolarHBondContact O-CG 3.46Å; L441-R444 PolarHBondContact O-N 3.2Å; L441-I450 HydrophobicContact CD2-CG2 4.34Å
442N94.3Very high90.8Very high5 Ų549.6 Ų49.63%0.02723%0.234CC..G310 helixtrans-72-10.1-173.4-71-7.5000113.5E438 I440 R444 E445 I580 Q581 L583 S584E438-N442 WeakPolarHBondContact O-CB 3.35Å; E438-N442 PolarHBondContact O-N 3.46Å; I440-N442 PolarHBondContact O-N 2.93Å; N442-R444 PolarHBondContact O-N 3.06Å; N442-R444 VanDerWaalsContact O-N 3.15Å; N442-E445 WeakPolarHBondContact O-CB 3.36Å; N442-E445 WeakPolarHBondContact O-CG 3.26Å; N442-E445 PolarHBondContact O-N 3.25Å; N442-I580 HydrophobicContact CB-CG2 3.77Å; N442-I580 WeakPolarHBondContact CB-O 3.39Å; N442-I580 PolarHBondContact ND2-O 2.93Å; N442-Q581 PolarHBondContact ND2-O 2.86Å; N442-L583 HydrophobicContact CB-CB 4.3Å; N442-L583 HydrophobicContact CB-CD1 4.34Å; N442-S584 PolarHBondContact ND2-N 3.47Å; N442-S584 PolarHBondContact ND2-OG 3.03Å
443W93.6Very high89.6Confident0 Ų043.5 Ų43.50%021%0.213CC..G310 helixtrans-58.7-23.8170.3-77.587.1000113.1P245 I249 L410 F414 F439 L441 E445 L446 V448 I450 L576 L577 I580P245-W443 HydrophobicContact CB-CE3 3.89Å; P245-W443 HydrophobicContact CB-CH2 4.32Å; P245-W443 HydrophobicContact CB-CZ3 3.41Å; P245-W443 VanDerWaalsContact CB-CZ3 3.41Å; I249-W443 HydrophobicContact CG2-CH2 3.79Å; I249-W443 HydrophobicContact CG2-CZ2 3.76Å; L410-W443 HydrophobicContact CD1-CZ2 3.83Å; L410-W443 HydrophobicContact CD2-CD2 4.45Å; L410-W443 HydrophobicContact CD2-CG 4.18Å; F414-W443 HydrophobicContact CE1-CD2 4.42Å; F414-W443 HydrophobicContact CE1-CE3 4.38Å; F414-W443 HydrophobicContact CE2-CE3 4.43Å; F414-W443 HydrophobicContact CE2-CH2 4.33Å; F414-W443 HydrophobicContact CE2-CZ3 4.26Å; F414-W443 AromaticContact CZ-CD2 3.7Å; F414-W443 HydrophobicContact CZ-CD2 3.7Å; F414-W443 AromaticContact CZ-CE3 3.63Å; F414-W443 HydrophobicContact CZ-CE3 3.63Å; F414-W443 HydrophobicContact CZ-CG 4.29Å; F414-W443 HydrophobicContact CZ-CH2 4.2Å; F414-W443 HydrophobicContact CZ-CZ2 4.28Å; F414-W443 AromaticContact CZ-CZ3 3.9Å; F414-W443 HydrophobicContact CZ-CZ3 3.9Å; F439-W443 VanDerWaalsContact O-CD1 3.23Å; F439-W443 PolarHBondContact O-NE1 3.15Å; F439-W443 VanDerWaalsContact O-NE1 3.12Å; L441-W443 PolarHBondContact O-N 3.04Å; W443-E445 PolarHBondContact O-N 2.84Å; W443-L446 HydrophobicContact CE3-CD2 4.39Å; W443-L446 HydrophobicContact CZ3-CD2 4.5Å; W443-L446 WeakPolarHBondContact O-CB 3.42Å; W443-L446 PolarHBondContact O-N 3.24Å; W443-L446 VanDerWaalsContact O-N 3.08Å; W443-V448 HydrophobicContact CB-CB 4.37Å; W443-V448 HydrophobicContact CE3-CG2 4.23Å; W443-V448 WeakPolarHBondContact O-CB 3.09Å; W443-V448 PolarHBondContact O-N 2.77Å; W443-I450 HydrophobicContact CB-CD1 3.67Å; W443-I450 HydrophobicContact CB-CG1 3.9Å; W443-I450 HydrophobicContact CG-CD1 4.39Å; W443-L576 HydrophobicContact CH2-CD2 4.02Å; W443-L577 HydrophobicContact CZ2-CD2 4.29Å; W443-I580 HydrophobicContact CD2-CD1 3.66Å; W443-I580 HydrophobicContact CE3-CD1 4.06Å; W443-I580 HydrophobicContact CG-CD1 4.29Å; W443-I580 HydrophobicContact CG-CG2 4.35Å; W443-I580 HydrophobicContact CH2-CD1 3.74Å; W443-I580 HydrophobicContact CZ2-CD1 3.27Å; W443-I580 HydrophobicContact CZ3-CD1 4.09Å
444R90Very high88Confident151 Ų15149.8 Ų49.857%0.5725%0.254SS*.G310 helixtrans-59.8-30.1172.478.6-171.5-175.2-176.9-3.1112.9L441 N442 L446 G447 V448L441-R444 WeakPolarHBondContact O-CD 3.17Å; L441-R444 VanDerWaalsContact O-CG 3.24Å; L441-R444 WeakPolarHBondContact O-CG 3.46Å; L441-R444 PolarHBondContact O-N 3.2Å; N442-R444 PolarHBondContact O-N 3.06Å; N442-R444 VanDerWaalsContact O-N 3.15Å; R444-L446 PolarHBondContact O-N 2.73Å; R444-G447 PolarHBondContact O-N 3.26Å; R444-V448 WeakPolarHBondContact CA-O 3.43Å
445E89.2Confident86.3Confident38 Ų3849.3 Ų49.318%0.17826%0.261CS..G310 helixtrans-71.9-17.5179.8-51-57.715100111.7L202 N442 W443 G447 L583L202-E445 WeakPolarHBondContact CD2-O 3.34Å; N442-E445 WeakPolarHBondContact O-CB 3.36Å; N442-E445 WeakPolarHBondContact O-CG 3.26Å; N442-E445 PolarHBondContact O-N 3.25Å; W443-E445 PolarHBondContact O-N 2.84Å; E445-G447 VanDerWaalsContact C-N 3.3Å; E445-L583 HydrophobicContact CB-CD1 4.2Å
446L90.4Very high84.6Confident0 Ų043.9 Ų43.90%024%0.235CC..G310 helixtrans-88.94.7170.6-81.264.8000112F153 Y157 L202 R241 G242 W443 R444 V448 L583F153-L446 HydrophobicContact CE2-CD1 4.44Å; F153-L446 HydrophobicContact CE2-CD2 4.14Å; F153-L446 HydrophobicContact CZ-CD1 3.85Å; F153-L446 HydrophobicContact CZ-CD2 4.03Å; F153-L446 HydrophobicContact CZ-CG 4.41Å; Y157-L446 HydrophobicContact CD1-CD1 4.23Å; Y157-L446 HydrophobicContact CD1-CG 4.16Å; Y157-L446 HydrophobicContact CD2-CD1 4.35Å; Y157-L446 HydrophobicContact CD2-CG 4.49Å; Y157-L446 HydrophobicContact CE1-CG 4.28Å; Y157-L446 HydrophobicContact CG-CD1 3.99Å; Y157-L446 HydrophobicContact CG-CG 4.28Å; L202-L446 VanDerWaalsContact CD2-C 3.49Å; R241-L446 HydrophobicContact CB-CD2 4.01Å; R241-L446 HydrophobicContact CG-CD2 3.88Å; G242-L446 WeakPolarHBondContact CA-O 3.25Å; W443-L446 HydrophobicContact CE3-CD2 4.39Å; W443-L446 HydrophobicContact CZ3-CD2 4.5Å; W443-L446 WeakPolarHBondContact O-CB 3.42Å; W443-L446 PolarHBondContact O-N 3.24Å; W443-L446 VanDerWaalsContact O-N 3.08Å; R444-L446 PolarHBondContact O-N 2.73Å; L446-V448 VanDerWaalsContact C-N 3.35Å; L446-V448 HydrophobicContact CB-CG2 4.21Å; L446-L583 HydrophobicContact CD1-CD1 3.75Å
447G86.9Confident82.8Confident11 Ų1150.1 Ų50.111%0.11326%0.259CS..THydrogen-bonded Turntrans76.819.7-174.400000113.6L197 R444 E445L197-G447 WeakPolarHBondContact CD1-O 3.35Å; R444-G447 PolarHBondContact O-N 3.26Å; E445-G447 VanDerWaalsContact C-N 3.3Å
448V89Confident80.8Confident8 Ų850.8 Ų50.85%0.04828%0.276CS..  trans-97.2123.5178.9-1750000110P245 F414 W443 R444 L446 I450P245-V448 HydrophobicContact CB-CG1 4.17Å; P245-V448 HydrophobicContact CB-CG2 3.91Å; P245-V448 HydrophobicContact CG-CG1 3.97Å; P245-V448 HydrophobicContact CG-CG2 4.14Å; F414-V448 HydrophobicContact CD1-CG1 3.71Å; F414-V448 HydrophobicContact CE1-CG1 3.41Å; F414-V448 VanDerWaalsContact CE1-CG1 3.41Å; F414-V448 HydrophobicContact CZ-CG1 4.18Å; W443-V448 HydrophobicContact CB-CB 4.37Å; W443-V448 HydrophobicContact CE3-CG2 4.23Å; W443-V448 WeakPolarHBondContact O-CB 3.09Å; W443-V448 PolarHBondContact O-N 2.77Å; R444-V448 WeakPolarHBondContact CA-O 3.43Å; L446-V448 VanDerWaalsContact C-N 3.35Å; L446-V448 HydrophobicContact CB-CG2 4.21Å; V448-I450 PolarHBondContact O-N 3.01Å
449P87.6Confident78.9Confident19 Ų1951.8 Ų51.812%0.12328%0.282CS..  trans-71.1120.7-177.227.4-33.7000111.6
450I90.9Very high77Confident6 Ų662.4 Ų62.43%0.03132%0.321CS..  trans-104.3-44.5176.6-59.2-58.2000111.8I413 F414 G418 T419 L424 I440 L441 W443 V448I413-I450 HydrophobicContact CG2-CD1 3.94Å; I413-I450 HydrophobicContact CG2-CG2 4.49Å; F414-I450 HydrophobicContact CE1-CD1 3.93Å; G418-I450 CarbonylContact C-O 3.6Å; G418-I450 WeakPolarHBondContact CA-O 3.4Å; T419-I450 PolarHBondContact N-O 3.49Å; L424-I450 HydrophobicContact CD2-CG2 4Å; I440-I450 HydrophobicContact CG2-CG2 3.98Å; L441-I450 HydrophobicContact CD2-CG2 4.34Å; W443-I450 HydrophobicContact CB-CD1 3.67Å; W443-I450 HydrophobicContact CB-CG1 3.9Å; W443-I450 HydrophobicContact CG-CD1 4.39Å; V448-I450 PolarHBondContact O-N 3.01Å
451I89.2Confident75.4Confident68 Ų6868.8 Ų68.835%0.34935%0.345SS..BIsolated β-bridgetrans-104.5126.9177.2-59.2176.8000109.1T419 L424 S453 F456T419-I451 CarbonylContact O-C 3.55Å; T419-I451 VanDerWaalsContact O-CA 3.27Å; T419-I451 WeakPolarHBondContact O-CA 3.35Å; L424-I451 HydrophobicContact CD2-CD1 4.44Å; L424-I451 HydrophobicContact CD2-CG1 4.14Å; I451-S453 PolarHBondContact O-N 3Å; I451-F456 WeakPolarHBondContact O-CE2 3.47Å
452S80.9Confident74.1Confident57 Ų5770.1 Ų70.140%0.39936%0.356SS..  trans-77.3109175.9-57.40000110.6G418 T419G418-S452 WeakPolarHBondContact CA-OG 3.21Å; G418-S452 PolarHBondContact O-OG 2.95Å; T419-S452 PolarHBondContact N-OG 3.3Å; T419-S452 PolarHBondContact O-N 3.41Å
453S67.4Low73.2Confident39 Ų3975.5 Ų75.527%0.27339%0.394SS..  trans-90.2140.5164.6-172.60000111E198 I451 S455 F456E198-S453 PolarHBondContact OE1-OG 3.29Å; I451-S453 PolarHBondContact O-N 3Å; S453-S455 PolarHBondContact O-N 3.49Å; S453-F456 WeakPolarHBondContact O-CD2 3.41Å; S453-F456 PolarHBondContact O-N 2.97Å
454P56.3Low72.9Confident137 Ų13779.5 Ų79.589%0.8941%0.409SS*.THydrogen-bonded Turntrans-58.5-19.5175.1-19.930.6000113.8F456P454-F456 VanDerWaalsContact C-N 3.34Å
455S55.1Low72.8Confident87 Ų8775.2 Ų75.261%0.60839%0.393SS*.THydrogen-bonded Turntrans-79.1-13.5178.7-500000113.5S453 F457S453-S455 PolarHBondContact O-N 3.49Å; S455-F457 PolarHBondContact O-N 3.02Å
456F52.9Low72.5Confident60 Ų6079.8 Ų79.826%0.26342%0.419SS..  trans-76.2109.9176.5-68.1-68000109.5L197 E198 I451 S453 P454L197-F456 HydrophobicContact CD2-CD1 3.61Å; L197-F456 HydrophobicContact CD2-CE1 3.47Å; L197-F456 VanDerWaalsContact CD2-CE1 3.47Å; E198-F456 HydrophobicContact CG-CE1 3.71Å; E198-F456 HydrophobicContact CG-CZ 3.9Å; E198-F456 WeakPolarHBondContact OE2-CZ 3.14Å; I451-F456 WeakPolarHBondContact O-CE2 3.47Å; S453-F456 WeakPolarHBondContact O-CD2 3.41Å; S453-F456 PolarHBondContact O-N 2.97Å; P454-F456 VanDerWaalsContact C-N 3.34Å
457F52.2Low72.2Confident193 Ų19380.8 Ų80.885%0.84642%0.423SS*.  trans-54.5131155-74.4-82.2000107.5S455 M459S455-F457 PolarHBondContact O-N 3.02Å; F457-M459 PolarHBondContact O-N 3.34Å
458P52.3Low71.6Confident109 Ų10984.8 Ų84.871%0.70845%0.445SS*.  trans-56.3120.1-178.120.2-29.9000108.3R460P458-R460 PolarHBondContact O-N 3.48Å
459M53.8Low70.7Confident71 Ų7193.8 Ų93.835%0.3549%0.486SS..  trans-53.7112.9174.8-166.5162.792.600106.8F457 R461F457-M459 PolarHBondContact O-N 3.34Å; M459-R461 PolarHBondContact O-N 3.04Å
460R54.9Low70.1Confident235 Ų23598 Ų9889%0.88750%0.504SS*.  trans-67.1108.5-177.1-142-177.8-167.1-167.32.8105.4P458 S462P458-R460 PolarHBondContact O-N 3.48Å; R460-S462 PolarHBondContact O-N 3.5Å; R460-S462 VanDerWaalsContact O-N 3.14Å
461R62.9Low69Low133 Ų133101.8 Ų101.850%0.50252%0.522SS..PPolyproline II helixtrans-55.6124.7173.8-72.8-171.3-179.2165.27.3107.2F414 S415 N417 M459 S463F414-R461 PolarHBondContact O-NH2 2.81Å; S415-R461 VanDerWaalsContact CA-NH2 3.34Å; S415-R461 PolarHBondContact O-NH2 2.9Å; N417-R461 PolarHBondContact OD1-NE 3.29Å; N417-R461 PolarHBondContact OD1-NH2 2.87Å; M459-R461 PolarHBondContact O-N 3.04Å; R461-S463 PolarHBondContact O-N 3.49Å
462S66.9Low68.6Low45 Ų45103.8 Ų103.832%0.31554%0.537SS..PPolyproline II helixtrans-53136.3172.7-620000108.4R460 R464R460-S462 PolarHBondContact O-N 3.5Å; R460-S462 VanDerWaalsContact O-N 3.14Å; S462-R464 PolarHBondContact O-N 3.14Å; S462-R464 VanDerWaalsContact O-N 3.15Å
463S74.4Confident69Low118 Ų118104.1 Ų104.183%0.82553%0.531SS*.PPolyproline II helixtrans-58.1122.7178.7-172.20000108.7R461R461-S463 PolarHBondContact O-N 3.49Å
464R87.9Confident70Confident85 Ų85105.2 Ų105.232%0.32154%0.538SS..PPolyproline II helixtrans-80.1146.9174.3-58-57.5-56.1-83.9-4.7109.1S462 T479 D484S462-R464 PolarHBondContact O-N 3.14Å; S462-R464 VanDerWaalsContact O-N 3.15Å; R464-T479 PolarHBondContact NH2-O 2.92Å; R464-D484 IonicContact CZ-OD2 3.13Å; R464-D484 IonicContact NE-OD2 2.75Å; R464-D484 PolarHBondContact NE-OD2 3.22Å; R464-D484 IonicContact NH2-OD2 3.6Å; R464-D484 PolarHBondContact NH2-OD2 3.08Å; R464-D484 VanDerWaalsContact NH2-OD2 3.13Å
465R87.5Confident71.7Confident61 Ų61100.2 Ų100.223%0.2350%0.503CS..PPolyproline II helixtrans-67.2143.3170.6-72.9-179.7165.2-135.7-7.9109.4R467 D484 E487 D488 E491R465-R467 PolarHBondContact O-N 2.88Å; R465-D484 HydrophobicContact CG-CB 4.31Å; R465-E487 WeakPolarHBondContact CD-OE2 2.92Å; R465-E487 VanDerWaalsContact CZ-CB 3.48Å; R465-E487 IonicContact CZ-OE2 3.2Å; R465-E487 IonicContact NE-OE2 3.28Å; R465-E487 VanDerWaalsContact NH1-CB 3.27Å; R465-E487 IonicContact NH1-OE2 2.64Å; R465-E487 PolarHBondContact NH1-OE2 3.45Å; R465-D488 IonicContact CZ-OD1 3.29Å; R465-D488 IonicContact NE-OD1 3.08Å; R465-D488 PolarHBondContact NE-OD1 3.39Å; R465-D488 IonicContact NH2-OD1 2.61Å; R465-D488 PolarHBondContact NH2-OD1 3.18Å; R465-E491 IonicContact CZ-OE1 3.8Å; R465-E491 IonicContact CZ-OE2 2.77Å; R465-E491 IonicContact NH1-OE1 2.97Å; R465-E491 PolarHBondContact NH1-OE1 3.35Å; R465-E491 IonicContact NH1-OE2 3.03Å; R465-E491 IonicContact NH2-OE1 2.75Å; R465-E491 PolarHBondContact NH2-OE1 3.3Å; R465-E491 VanDerWaalsContact NH2-OE1 3.11Å; R465-E491 IonicContact NH2-OE2 3.65Å; R465-E491 PolarHBondContact NH2-OE2 3.36Å
466D83.1Confident73.6Confident134 Ų13497.6 Ų97.672%0.71749%0.485SS*.PPolyproline II helixtrans-73.4120.8172.8-176.2-1.4000109.3T468D466-T468 WeakPolarHBondContact OD1-CB 3.41Å; D466-T468 VanDerWaalsContact OD1-CG2 3.25Å; D466-T468 WeakPolarHBondContact OD1-CG2 3.34Å; D466-T468 PolarHBondContact OD1-N 2.81Å; D466-T468 VanDerWaalsContact OD1-N 3.08Å; D466-T468 PolarHBondContact OD1-OG1 3.13Å
467R83.5Confident75.5Confident21 Ų2195.3 Ų95.38%0.07948%0.475CS..  trans-125.117.4-175.8-64.3-177179-81.6-1.1112.8R465 Q469 E470 K483 D484 E487R465-R467 PolarHBondContact O-N 2.88Å; R467-Q469 PolarHBondContact O-N 2.82Å; R467-E470 IonicContact NH1-OE1 3.42Å; R467-E470 IonicContact NH1-OE2 2.98Å; R467-E470 PolarHBondContact NH1-OE2 3.32Å; R467-E470 PolarHBondContact O-N 2.97Å; R467-K483 VanDerWaalsContact NH1-NZ 3.15Å; R467-D484 IonicContact CZ-OD1 2.79Å; R467-D484 VanDerWaalsContact CZ-OD1 3.28Å; R467-D484 IonicContact NE-OD1 3.67Å; R467-D484 PolarHBondContact NE-OD1 3.47Å; R467-D484 IonicContact NH2-OD1 3.83Å; R467-D484 PolarHBondContact NH2-OD1 3.02Å; R467-E487 IonicContact CZ-OE1 2.73Å; R467-E487 IonicContact CZ-OE2 2.69Å; R467-E487 IonicContact NH1-OE1 2.73Å; R467-E487 PolarHBondContact NH1-OE1 2.89Å; R467-E487 VanDerWaalsContact NH1-OE1 3.11Å; R467-E487 IonicContact NH1-OE2 3.14Å; R467-E487 IonicContact NH2-OE1 2.67Å; R467-E487 PolarHBondContact NH2-OE1 3.03Å; R467-E487 IonicContact NH2-OE2 3.01Å; R467-E487 PolarHBondContact NH2-OE2 3.42Å
468T75.3Confident77.5Confident94 Ų9487.5 Ų87.558%0.57744%0.44SS*.THydrogen-bonded Turntrans-53.6-26.9-177.745.60000114.2D466D466-T468 WeakPolarHBondContact OD1-CB 3.41Å; D466-T468 VanDerWaalsContact OD1-CG2 3.25Å; D466-T468 WeakPolarHBondContact OD1-CG2 3.34Å; D466-T468 PolarHBondContact OD1-N 2.81Å; D466-T468 VanDerWaalsContact OD1-N 3.08Å; D466-T468 PolarHBondContact OD1-OG1 3.13Å
469Q69.5Low79.5Confident197 Ų19783.4 Ų83.492%0.92141%0.413SS*.THydrogen-bonded Turntrans-84.1-15.1177.3-61.5-173.30.700114.7R467R467-Q469 PolarHBondContact O-N 2.82Å
470E74.4Confident81.5Confident107 Ų10780.1 Ų80.150%0.540%0.397SS..THydrogen-bonded Turntrans-90.7-17.2179.3-64.3-176.8-179.900112.4R467 T472 K483R467-E470 IonicContact NH1-OE1 3.42Å; R467-E470 IonicContact NH1-OE2 2.98Å; R467-E470 PolarHBondContact NH1-OE2 3.32Å; R467-E470 PolarHBondContact O-N 2.97Å; E470-T472 PolarHBondContact O-N 2.66Å; E470-T472 PolarHBondContact O-OG1 2.98Å; E470-K483 IonicContact OE2-NZ 2.69Å; E470-K483 PolarHBondContact OE2-NZ 2.69Å
471E69.6Low83.4Confident87 Ų8769.8 Ų69.841%0.40736%0.36SS..  trans-69.391.7-175.1-68.6-176.2-161.100111.9R477E471-R477 HydrophobicContact CG-CG 4.46Å; E471-R477 WeakPolarHBondContact OE2-CG 3.43Å
472T79.1Confident85Confident109 Ų10963.6 Ų63.667%0.66934%0.336SS*.  trans-87.7-29.7178.5-52.50000112.2E470E470-T472 PolarHBondContact O-N 2.66Å; E470-T472 PolarHBondContact O-OG1 2.98Å
473Y89.5Confident86.4Confident65 Ų6562.2 Ų62.226%0.25533%0.325SS..  trans-124.9126.3-172.3-58.4-76000111.6H298 A300 E301 L475 S476H298-Y473 HydrophobicContact CB-CD2 4.13Å; H298-Y473 HydrophobicContact CB-CE2 3.58Å; H298-Y473 AromaticContact CD2-CD2 3.76Å; H298-Y473 AromaticContact CE1-CD1 3.69Å; H298-Y473 AromaticContact CE1-CE1 3.96Å; H298-Y473 AromaticContact CE1-CG 3.81Å; H298-Y473 AromaticContact CG-CD2 3.69Å; H298-Y473 AromaticContact CG-CE2 3.55Å; H298-Y473 AromaticContact CG-CZ 3.83Å; H298-Y473 AromaticContact ND1-CD1 3.78Å; H298-Y473 AromaticContact ND1-CD2 3.96Å; H298-Y473 AromaticContact ND1-CE1 3.59Å; H298-Y473 AromaticContact ND1-CE2 3.79Å; H298-Y473 AromaticContact ND1-CG 3.96Å; H298-Y473 AromaticContact ND1-CZ 3.61Å; H298-Y473 AromaticContact NE2-CG 3.86Å; A300-Y473 HydrophobicContact CB-CE1 4.16Å; E301-Y473 VanDerWaalsContact CD-OH 3.32Å; E301-Y473 WeakPolarHBondContact CG-OH 3.19Å; E301-Y473 PolarHBondContact OE1-OH 2.82Å; Y473-L475 PolarHBondContact O-N 3.01Å; Y473-S476 CarbonylContact O-C 3.56Å; Y473-S476 PolarHBondContact O-N 3.5Å; Y473-S476 VanDerWaalsContact O-N 3.09Å
474S89.2Confident87.4Confident61 Ų6157 Ų5743%0.42729%0.288SS..THydrogen-bonded Turntrans-62.5-26.5-176.759.60000114.6R477S474-R477 PolarHBondContact O-NE 2.97Å
475L92.6Very high87.7Confident32 Ų3253.3 Ų53.317%0.16828%0.275CS..THydrogen-bonded Turntrans-96.48179.9-60.3-180000113.2L253 F360 E365 C368 K369 Q372 Y473L253-L475 HydrophobicContact CD1-CB 3.67Å; L253-L475 HydrophobicContact CD1-CD1 4.46Å; F360-L475 HydrophobicContact CE2-CD1 4.36Å; F360-L475 HydrophobicContact CZ-CD1 3.82Å; E365-L475 HydrophobicContact CG-CD1 4.33Å; C368-L475 HydrophobicContact CB-CB 4.29Å; C368-L475 HydrophobicContact CB-CD1 4.45Å; C368-L475 HydrophobicContact CB-CD2 4.21Å; K369-L475 HydrophobicContact CB-CD2 3.94Å; Q372-L475 WeakPolarHBondContact CG-O 3.44Å; Y473-L475 PolarHBondContact O-N 3.01Å
476S93.3Very high88.1Confident32 Ų3250.4 Ų50.422%0.22426%0.264CS..  trans-14356.2-180-59.80000110.7Y473Y473-S476 CarbonylContact O-C 3.56Å; Y473-S476 PolarHBondContact O-N 3.5Å; Y473-S476 VanDerWaalsContact O-N 3.09Å
477R92.7Very high88.6Confident13 Ų1344.9 Ų44.95%0.04923%0.234CC..  trans-88.6-33.6-179.2-66.3176-74.7143.3-1.7111.8D373 V376 S378 D379 E471 S474 T479D373-R477 IonicContact OD1-CZ 3.87Å; D373-R477 IonicContact OD1-NH1 2.7Å; D373-R477 IonicContact OD1-NH2 2.94Å; D373-R477 PolarHBondContact OD1-NH2 3.39Å; V376-R477 HydrophobicContact CG2-CB 4.06Å; S378-R477 PolarHBondContact O-NH1 3.45Å; D379-R477 PolarHBondContact O-NH1 3.46Å; E471-R477 HydrophobicContact CG-CG 4.46Å; E471-R477 WeakPolarHBondContact OE2-CG 3.43Å; S474-R477 PolarHBondContact O-NE 2.97Å; R477-T479 PolarHBondContact O-N 3.43Å
478W94.2Very high89.1Confident28 Ų2845.9 Ų45.911%0.10624%0.241CC..  trans-60.6128.9177-179.2-97.9000111.1V246 T247 L250 A375 V376 V481V246-W478 HydrophobicContact CB-CH2 3.97Å; V246-W478 HydrophobicContact CB-CZ2 3.63Å; V246-W478 HydrophobicContact CG1-CD2 3.92Å; V246-W478 HydrophobicContact CG1-CE3 4.21Å; V246-W478 HydrophobicContact CG1-CH2 3.77Å; V246-W478 HydrophobicContact CG1-CZ2 3.47Å; V246-W478 VanDerWaalsContact CG1-CZ2 3.47Å; V246-W478 HydrophobicContact CG1-CZ3 4.15Å; V246-W478 HydrophobicContact CG2-CH2 4.28Å; V246-W478 HydrophobicContact CG2-CZ2 4.42Å; T247-W478 PolarHBondContact OG1-NE1 3.1Å; L250-W478 HydrophobicContact CD1-CB 3.72Å; L250-W478 HydrophobicContact CD1-CD2 3.96Å; L250-W478 HydrophobicContact CD1-CG 3.33Å; A375-W478 HydrophobicContact CB-CD2 4.21Å; A375-W478 HydrophobicContact CB-CE3 3.81Å; A375-W478 HydrophobicContact CB-CZ3 4.36Å; A375-W478 WeakPolarHBondContact O-CZ3 3.48Å; V376-W478 HydrophobicContact CG2-CB 4.48Å; V376-W478 HydrophobicContact CG2-CE3 4.42Å; W478-V481 HydrophobicContact CH2-CG2 4.29Å; W478-V481 HydrophobicContact CZ2-CG2 3.95Å
479T94.9Very high89.9Confident24 Ų2441.5 Ų41.515%0.14721%0.214CC..  trans-109.6134.1170.5-66.70000108.6R464 R477 V481 K483R464-T479 PolarHBondContact NH2-O 2.92Å; R477-T479 PolarHBondContact O-N 3.43Å; T479-V481 PolarHBondContact O-N 2.82Å; T479-K483 HydrophobicContact CG2-CB 3.88Å; T479-K483 HydrophobicContact CG2-CD 3.54Å; T479-K483 HydrophobicContact CG2-CG 4.29Å
480P96.2Very high90.9Very high1 Ų133.2 Ų33.21%0.00618%0.176CC..  trans-52.4135.1173.2-30.838.2000112.6T247 I482 K483 E547T247-P480 HydrophobicContact CG2-CB 3.85Å; T247-P480 HydrophobicContact CG2-CG 3.76Å; T247-P480 WeakPolarHBondContact OG1-CA 3.36Å; P480-I482 HydrophobicContact CB-CG2 4.08Å; P480-I482 PolarHBondContact O-N 3.44Å; P480-K483 WeakPolarHBondContact O-CB 3.18Å; P480-K483 PolarHBondContact O-N 2.98Å; P480-E547 HydrophobicContact CB-CG 4.19Å
481V95.3Very high91.6Very high19 Ų1931.6 Ų31.612%0.11517%0.169CC..Hα-helixtrans-62.3-31.6-177.5-174.70000110.5F243 D244 W478 T479 K483 D484 V485F243-V481 HydrophobicContact CE1-CB 3.87Å; F243-V481 HydrophobicContact CE1-CG1 3.53Å; F243-V481 HydrophobicContact CE2-CG1 4.32Å; F243-V481 HydrophobicContact CZ-CB 4.24Å; F243-V481 HydrophobicContact CZ-CG1 3.37Å; D244-V481 HydrophobicContact CB-CB 4.12Å; D244-V481 HydrophobicContact CB-CG2 4.13Å; D244-V481 WeakPolarHBondContact OD2-CB 3.2Å; D244-V481 WeakPolarHBondContact OD2-CG2 3.36Å; D244-V481 PolarHBondContact OD2-N 2.96Å; W478-V481 HydrophobicContact CH2-CG2 4.29Å; W478-V481 HydrophobicContact CZ2-CG2 3.95Å; T479-V481 PolarHBondContact O-N 2.82Å; V481-K483 PolarHBondContact O-N 3.37Å; V481-D484 PolarHBondContact O-N 2.99Å; V481-D484 VanDerWaalsContact O-N 3.13Å; V481-V485 PolarHBondContact O-N 2.99Å
482I95.9Very high92.5Very high2 Ų230.9 Ų30.91%0.0117%0.168CC..Hα-helixtrans-60.7-26.5177-158.667.1000113.3V239 P480 V485 M486 I537 E547V239-I482 HydrophobicContact CG1-CD1 4.46Å; V239-I482 HydrophobicContact CG2-CD1 4.47Å; P480-I482 HydrophobicContact CB-CG2 4.08Å; P480-I482 PolarHBondContact O-N 3.44Å; I482-V485 HydrophobicContact CD1-CB 4.31Å; I482-V485 HydrophobicContact CD1-CG1 4.42Å; I482-V485 PolarHBondContact O-N 3.35Å; I482-M486 HydrophobicContact CG1-CE 3.91Å; I482-M486 HydrophobicContact CG2-CE 4.03Å; I482-M486 WeakPolarHBondContact O-CB 3.3Å; I482-M486 WeakPolarHBondContact O-CG 3.4Å; I482-M486 PolarHBondContact O-N 3.24Å; I482-I537 HydrophobicContact CD1-CD1 4.45Å; I482-I537 HydrophobicContact CD1-CG2 3.95Å; I482-I537 HydrophobicContact CG1-CD1 4.26Å; I482-I537 HydrophobicContact CG1-CG2 4.21Å; I482-E547 HydrophobicContact CG2-CB 3.98Å; I482-E547 HydrophobicContact CG2-CG 3.81Å
483K96.3Very high93Very high17 Ų1732.1 Ų32.17%0.07416%0.164CC..Hα-helixtrans-65.2-42.3176.2-169.2-174.4174-166.60111R467 E470 T479 P480 V481 V485 M486 E487 V554R467-K483 VanDerWaalsContact NH1-NZ 3.15Å; E470-K483 IonicContact OE2-NZ 2.69Å; E470-K483 PolarHBondContact OE2-NZ 2.69Å; T479-K483 HydrophobicContact CG2-CB 3.88Å; T479-K483 HydrophobicContact CG2-CD 3.54Å; T479-K483 HydrophobicContact CG2-CG 4.29Å; P480-K483 WeakPolarHBondContact O-CB 3.18Å; P480-K483 PolarHBondContact O-N 2.98Å; V481-K483 PolarHBondContact O-N 3.37Å; K483-V485 VanDerWaalsContact C-N 3.31Å; K483-V485 PolarHBondContact O-N 2.95Å; K483-M486 WeakPolarHBondContact O-CB 3.39Å; K483-M486 PolarHBondContact O-N 3.42Å; K483-E487 WeakPolarHBondContact CE-OE1 3.47Å; K483-E487 WeakPolarHBondContact O-CG 3.33Å; K483-E487 PolarHBondContact O-N 2.93Å; K483-V554 HydrophobicContact CG-CG2 3.93Å
484D95.1Very high93.1Very high7 Ų729.6 Ų29.64%0.03716%0.155CC..Hα-helixtrans-62.3-43.4176.4-61.1-20.9000110.1R464 R465 R467 V481 M486 E487 D488R464-D484 IonicContact CZ-OD2 3.13Å; R464-D484 IonicContact NE-OD2 2.75Å; R464-D484 PolarHBondContact NE-OD2 3.22Å; R464-D484 IonicContact NH2-OD2 3.6Å; R464-D484 PolarHBondContact NH2-OD2 3.08Å; R464-D484 VanDerWaalsContact NH2-OD2 3.13Å; R465-D484 HydrophobicContact CG-CB 4.31Å; R467-D484 IonicContact CZ-OD1 2.79Å; R467-D484 VanDerWaalsContact CZ-OD1 3.28Å; R467-D484 IonicContact NE-OD1 3.67Å; R467-D484 PolarHBondContact NE-OD1 3.47Å; R467-D484 IonicContact NH2-OD1 3.83Å; R467-D484 PolarHBondContact NH2-OD1 3.02Å; V481-D484 PolarHBondContact O-N 2.99Å; V481-D484 VanDerWaalsContact O-N 3.13Å; D484-M486 PolarHBondContact O-N 3.28Å; D484-E487 PolarHBondContact O-N 3.4Å; D484-D488 WeakPolarHBondContact O-CB 3.48Å; D484-D488 VanDerWaalsContact O-CG 3.31Å; D484-D488 PolarHBondContact O-N 3.04Å
485V95.2Very high93.1Very high8 Ų832.6 Ų32.65%0.04816%0.162CC..Hα-helixtrans-61.9-43.9176.2176.90000112L237 F243 V481 I482 K483 D488 A489 L494 W499L237-V485 HydrophobicContact CD1-CG1 3.86Å; F243-V485 HydrophobicContact CE1-CG2 4.08Å; F243-V485 HydrophobicContact CZ-CG2 3.6Å; V481-V485 PolarHBondContact O-N 2.99Å; I482-V485 HydrophobicContact CD1-CB 4.31Å; I482-V485 HydrophobicContact CD1-CG1 4.42Å; I482-V485 PolarHBondContact O-N 3.35Å; K483-V485 VanDerWaalsContact C-N 3.31Å; K483-V485 PolarHBondContact O-N 2.95Å; V485-D488 PolarHBondContact O-N 3.42Å; V485-A489 VanDerWaalsContact O-CB 3.24Å; V485-A489 WeakPolarHBondContact O-CB 3.32Å; V485-A489 PolarHBondContact O-N 3.34Å; V485-L494 HydrophobicContact CG1-CD1 4.11Å; V485-W499 HydrophobicContact CB-CZ2 4.35Å; V485-W499 HydrophobicContact CG1-CH2 3.62Å; V485-W499 HydrophobicContact CG1-CZ2 3.63Å; V485-W499 HydrophobicContact CG1-CZ3 4.28Å; V485-W499 HydrophobicContact CG2-CH2 4.22Å; V485-W499 HydrophobicContact CG2-CZ2 3.68Å
486M95.5Very high93Very high0 Ų035.3 Ų35.30%018%0.18CC..Hα-helixtrans-58.7-49.8177.1-74.8163.4179.700110.8I482 K483 D484 A489 V490 L535 I537 A551 V554 V563 I565I482-M486 HydrophobicContact CG1-CE 3.91Å; I482-M486 HydrophobicContact CG2-CE 4.03Å; I482-M486 WeakPolarHBondContact O-CB 3.3Å; I482-M486 WeakPolarHBondContact O-CG 3.4Å; I482-M486 PolarHBondContact O-N 3.24Å; K483-M486 WeakPolarHBondContact O-CB 3.39Å; K483-M486 PolarHBondContact O-N 3.42Å; D484-M486 PolarHBondContact O-N 3.28Å; M486-A489 PolarHBondContact O-N 2.97Å; M486-V490 VanDerWaalsContact O-CG2 3.26Å; M486-V490 WeakPolarHBondContact O-CG2 3.34Å; M486-V490 PolarHBondContact O-N 3.14Å; M486-L535 HydrophobicContact CB-CD2 4.32Å; M486-L535 HydrophobicContact CG-CD2 4.41Å; M486-I537 HydrophobicContact CB-CD1 4.44Å; M486-I537 HydrophobicContact CE-CD1 3.54Å; M486-I537 HydrophobicContact CG-CD1 3.22Å; M486-I537 HydrophobicContact SD-CD1 4.2Å; M486-A551 HydrophobicContact CE-CB 3.97Å; M486-V554 HydrophobicContact CB-CB 4.35Å; M486-V554 HydrophobicContact CB-CG1 4.14Å; M486-V554 HydrophobicContact CB-CG2 3.91Å; M486-V554 HydrophobicContact SD-CG2 4.17Å; M486-V563 HydrophobicContact CE-CG1 4.05Å; M486-V563 HydrophobicContact CG-CG1 4.11Å; M486-V563 HydrophobicContact SD-CG1 4.14Å; M486-I565 HydrophobicContact CE-CB 4.49Å; M486-I565 HydrophobicContact CE-CD1 3.8Å
487E94Very high92.9Very high19 Ų1944.3 Ų44.39%0.08921%0.209CC..Hα-helixtrans-65.5-43.4179.7-65.7170.6-177.100111.8R465 R467 K483 D484 A489 V490 E491 V554R465-E487 WeakPolarHBondContact CD-OE2 2.92Å; R465-E487 VanDerWaalsContact CZ-CB 3.48Å; R465-E487 IonicContact CZ-OE2 3.2Å; R465-E487 IonicContact NE-OE2 3.28Å; R465-E487 VanDerWaalsContact NH1-CB 3.27Å; R465-E487 IonicContact NH1-OE2 2.64Å; R465-E487 PolarHBondContact NH1-OE2 3.45Å; R467-E487 IonicContact CZ-OE1 2.73Å; R467-E487 IonicContact CZ-OE2 2.69Å; R467-E487 IonicContact NH1-OE1 2.73Å; R467-E487 PolarHBondContact NH1-OE1 2.89Å; R467-E487 VanDerWaalsContact NH1-OE1 3.11Å; R467-E487 IonicContact NH1-OE2 3.14Å; R467-E487 IonicContact NH2-OE1 2.67Å; R467-E487 PolarHBondContact NH2-OE1 3.03Å; R467-E487 IonicContact NH2-OE2 3.01Å; R467-E487 PolarHBondContact NH2-OE2 3.42Å; K483-E487 WeakPolarHBondContact CE-OE1 3.47Å; K483-E487 WeakPolarHBondContact O-CG 3.33Å; K483-E487 PolarHBondContact O-N 2.93Å; D484-E487 PolarHBondContact O-N 3.4Å; E487-A489 VanDerWaalsContact C-N 3.31Å; E487-A489 PolarHBondContact O-N 3.47Å; E487-V490 PolarHBondContact O-N 3.31Å; E487-E491 WeakPolarHBondContact O-CB 3.26Å; E487-E491 VanDerWaalsContact O-CG 3.29Å; E487-E491 WeakPolarHBondContact O-CG 3.27Å; E487-E491 PolarHBondContact O-N 2.92Å; E487-V554 HydrophobicContact CG-CG1 4.45Å; E487-V554 HydrophobicContact CG-CG2 3.93Å
488D92.9Very high92.7Very high42 Ų4246.8 Ų46.823%0.22522%0.221CC..Hα-helixtrans-62.2-37.6176-75.4-23.7000112.3R465 D484 V485 N492 K493 L494R465-D488 IonicContact CZ-OD1 3.29Å; R465-D488 IonicContact NE-OD1 3.08Å; R465-D488 PolarHBondContact NE-OD1 3.39Å; R465-D488 IonicContact NH2-OD1 2.61Å; R465-D488 PolarHBondContact NH2-OD1 3.18Å; D484-D488 WeakPolarHBondContact O-CB 3.48Å; D484-D488 VanDerWaalsContact O-CG 3.31Å; D484-D488 PolarHBondContact O-N 3.04Å; V485-D488 PolarHBondContact O-N 3.42Å; D488-N492 PolarHBondContact O-N 2.89Å; D488-N492 VanDerWaalsContact O-N 3.17Å; D488-K493 PolarHBondContact O-N 3.29Å; D488-L494 HydrophobicContact CB-CB 4.31Å; D488-L494 HydrophobicContact CB-CD1 3.99Å; D488-L494 PolarHBondContact O-N 3.19Å
489A92.1Very high92.7Very high1 Ų145.8 Ų45.81%0.00822%0.218CC..Hα-helixtrans-67.1-46.3176.800000111.5L237 V485 M486 E487 E491 N492 L494 L535L237-A489 HydrophobicContact CD1-CB 3.96Å; V485-A489 VanDerWaalsContact O-CB 3.24Å; V485-A489 WeakPolarHBondContact O-CB 3.32Å; V485-A489 PolarHBondContact O-N 3.34Å; M486-A489 PolarHBondContact O-N 2.97Å; E487-A489 VanDerWaalsContact C-N 3.31Å; E487-A489 PolarHBondContact O-N 3.47Å; A489-E491 VanDerWaalsContact C-N 3.32Å; A489-E491 PolarHBondContact O-N 3.17Å; A489-N492 PolarHBondContact O-N 3.44Å; A489-N492 VanDerWaalsContact O-N 3.12Å; A489-L494 HydrophobicContact CB-CD2 4.25Å; A489-L535 HydrophobicContact CB-CD1 4.11Å; A489-L535 HydrophobicContact CB-CD2 3.91Å
490V90.5Very high92.6Very high23 Ų2345.8 Ų45.814%0.13922%0.218CC..Hα-helixtrans-66-35178.9175.30000111.7M486 E487 N492 L535 V554 V558 C561M486-V490 VanDerWaalsContact O-CG2 3.26Å; M486-V490 WeakPolarHBondContact O-CG2 3.34Å; M486-V490 PolarHBondContact O-N 3.14Å; E487-V490 PolarHBondContact O-N 3.31Å; V490-N492 VanDerWaalsContact C-N 3.26Å; V490-N492 PolarHBondContact O-N 3.37Å; V490-L535 HydrophobicContact CG2-CD2 3.93Å; V490-V554 HydrophobicContact CG2-CG1 4.45Å; V490-V558 HydrophobicContact CG1-CB 3.96Å; V490-V558 HydrophobicContact CG1-CG1 3.36Å; V490-V558 HydrophobicContact CG1-CG2 4.02Å; V490-C561 HydrophobicContact CG1-CB 3.98Å; V490-C561 HydrophobicContact CG2-CB 4.15Å
491E89.6Confident92.5Very high73 Ų7349 Ų4934%0.34123%0.233SC..THydrogen-bonded Turntrans-80.5-1.2175.4-68.7173.8-14900113.7R465 E487 A489 K493R465-E491 IonicContact CZ-OE1 3.8Å; R465-E491 IonicContact CZ-OE2 2.77Å; R465-E491 IonicContact NH1-OE1 2.97Å; R465-E491 PolarHBondContact NH1-OE1 3.35Å; R465-E491 IonicContact NH1-OE2 3.03Å; R465-E491 IonicContact NH2-OE1 2.75Å; R465-E491 PolarHBondContact NH2-OE1 3.3Å; R465-E491 VanDerWaalsContact NH2-OE1 3.11Å; R465-E491 IonicContact NH2-OE2 3.65Å; R465-E491 PolarHBondContact NH2-OE2 3.36Å; E487-E491 WeakPolarHBondContact O-CB 3.26Å; E487-E491 VanDerWaalsContact O-CG 3.29Å; E487-E491 WeakPolarHBondContact O-CG 3.27Å; E487-E491 PolarHBondContact O-N 2.92Å; A489-E491 VanDerWaalsContact C-N 3.32Å; A489-E491 PolarHBondContact O-N 3.17Å; E491-K493 HydrophobicContact CB-CD 4.14Å; E491-K493 HydrophobicContact CB-CG 4.11Å; E491-K493 PolarHBondContact O-N 2.57Å; E491-K493 WeakPolarHBondContact OE2-CD 3.46Å; E491-K493 VanDerWaalsContact OE2-CE 3.29Å; E491-K493 WeakPolarHBondContact OE2-CE 3.35Å; E491-K493 IonicContact OE2-NZ 3.94Å; E491-K493 PolarHBondContact OE2-NZ 2.94Å
492N87.8Confident92.5Very high73 Ų7351.4 Ų51.439%0.3924%0.243SC..THydrogen-bonded Turntrans55.932.1-172.9-59.2-67.2000114.1D488 A489 V490D488-N492 PolarHBondContact O-N 2.89Å; D488-N492 VanDerWaalsContact O-N 3.17Å; A489-N492 PolarHBondContact O-N 3.44Å; A489-N492 VanDerWaalsContact O-N 3.12Å; V490-N492 VanDerWaalsContact C-N 3.26Å; V490-N492 PolarHBondContact O-N 3.37Å
493K90.4Very high92.4Very high134 Ų13452.1 Ų52.158%0.58325%0.248SC*.  trans-100.5-3.3176.8-66.9179.1-174.81630113.6D488 E491 E495D488-K493 PolarHBondContact O-N 3.29Å; E491-K493 HydrophobicContact CB-CD 4.14Å; E491-K493 HydrophobicContact CB-CG 4.11Å; E491-K493 PolarHBondContact O-N 2.57Å; E491-K493 WeakPolarHBondContact OE2-CD 3.46Å; E491-K493 VanDerWaalsContact OE2-CE 3.29Å; E491-K493 WeakPolarHBondContact OE2-CE 3.35Å; E491-K493 IonicContact OE2-NZ 3.94Å; E491-K493 PolarHBondContact OE2-NZ 2.94Å; K493-E495 PolarHBondContact O-N 3.07Å
494L90.8Very high92.1Very high13 Ų1358.5 Ų58.57%0.06828%0.278CS..  trans-66.4115-177.3-166.370.8000112.2R190 L237 V485 D488 A489 T496 W499R190-L494 PolarHBondContact NH2-O 3.01Å; L237-L494 HydrophobicContact CD1-CD2 4.2Å; L237-L494 HydrophobicContact CD2-CD2 4.24Å; V485-L494 HydrophobicContact CG1-CD1 4.11Å; D488-L494 HydrophobicContact CB-CB 4.31Å; D488-L494 HydrophobicContact CB-CD1 3.99Å; D488-L494 PolarHBondContact O-N 3.19Å; A489-L494 HydrophobicContact CB-CD2 4.25Å; L494-T496 PolarHBondContact O-N 3.11Å; L494-W499 HydrophobicContact CD1-CD2 4.21Å; L494-W499 HydrophobicContact CD1-CG 3.96Å; L494-W499 HydrophobicContact CD2-CB 3.78Å; L494-W499 HydrophobicContact CD2-CD2 3.78Å; L494-W499 HydrophobicContact CD2-CE3 4.17Å; L494-W499 HydrophobicContact CD2-CG 3.6Å; L494-W499 HydrophobicContact CG-CB 3.92Å; L494-W499 HydrophobicContact CG-CD2 4.17Å; L494-W499 HydrophobicContact CG-CG 3.62Å
495E90.1Very high91.6Very high124 Ų12459.4 Ų59.458%0.57929%0.285SS*.  trans-59.9124-173.3-65.6-168.8-178.200113.8K493 R497 E498 W499K493-E495 PolarHBondContact O-N 3.07Å; E495-R497 PolarHBondContact O-N 3.21Å; E495-E498 PolarHBondContact O-N 3.25Å; E495-W499 WeakPolarHBondContact O-CB 3.12Å; E495-W499 PolarHBondContact O-N 3.24Å
496T91.1Very high91Very high88 Ų8862.3 Ų62.354%0.5430%0.303SS..THydrogen-bonded Turntrans-65.6-23.3-179-46.60000114L494 W499 P500L494-T496 PolarHBondContact O-N 3.11Å; T496-W499 CarbonylContact O-C 3.58Å; T496-P500 WeakPolarHBondContact O-CA 3.3Å
497R90Very high89.9Confident221 Ų22165.9 Ų65.983%0.83433%0.333SS*.THydrogen-bonded Turntrans-70.6-41.3177.8-70.5-176.7177.6-177.80.2112.1E495E495-R497 PolarHBondContact O-N 3.21Å
498E89.4Confident88.6Confident66 Ų6665.8 Ų65.831%0.30834%0.335SS..THydrogen-bonded Turntrans-83-30.3176.6-69.2-159.1-179.700112.4K192 K193 E495 P500K192-E498 IonicContact NZ-OE2 3.88Å; K192-E498 PolarHBondContact NZ-OE2 3.24Å; K193-E498 WeakPolarHBondContact CB-O 3.5Å; K193-E498 PolarHBondContact N-O 3.06Å; E495-E498 PolarHBondContact O-N 3.25Å; E498-P500 VanDerWaalsContact C-CD 3.44Å; E498-P500 WeakPolarHBondContact O-CD 3.31Å
499W93.2Very high86.9Confident7 Ų770.4 Ų70.43%0.02735%0.35CS..SBendtrans-125.168.6-176.6-62.389000111.1R190 Y191 K192 L237 V239 F243 V485 L494 E495 T496R190-W499 PolarHBondContact NE-O 3.27Å; R190-W499 PolarHBondContact NH2-O 3.46Å; Y191-W499 WeakPolarHBondContact O-CA 3.46Å; K192-W499 HydrophobicContact CB-CD2 4.39Å; K192-W499 HydrophobicContact CB-CE3 3.99Å; K192-W499 HydrophobicContact CB-CH2 3.77Å; K192-W499 HydrophobicContact CB-CZ2 4.14Å; K192-W499 HydrophobicContact CB-CZ3 3.69Å; K192-W499 HydrophobicContact CD-CD2 4.2Å; K192-W499 HydrophobicContact CD-CH2 4.33Å; K192-W499 HydrophobicContact CD-CZ2 3.79Å; K192-W499 HydrophobicContact CG-CH2 4.34Å; K192-W499 HydrophobicContact CG-CZ2 4.27Å; L237-W499 HydrophobicContact CB-CZ3 4.37Å; V239-W499 HydrophobicContact CG1-CH2 3.31Å; V239-W499 HydrophobicContact CG1-CZ3 3.41Å; V239-W499 VanDerWaalsContact CG1-CZ3 3.41Å; F243-W499 HydrophobicContact CE2-CZ2 4.1Å; F243-W499 HydrophobicContact CZ-CZ2 4.15Å; V485-W499 HydrophobicContact CB-CZ2 4.35Å; V485-W499 HydrophobicContact CG1-CH2 3.62Å; V485-W499 HydrophobicContact CG1-CZ2 3.63Å; V485-W499 HydrophobicContact CG1-CZ3 4.28Å; V485-W499 HydrophobicContact CG2-CH2 4.22Å; V485-W499 HydrophobicContact CG2-CZ2 3.68Å; L494-W499 HydrophobicContact CD1-CD2 4.21Å; L494-W499 HydrophobicContact CD1-CG 3.96Å; L494-W499 HydrophobicContact CD2-CB 3.78Å; L494-W499 HydrophobicContact CD2-CD2 3.78Å; L494-W499 HydrophobicContact CD2-CE3 4.17Å; L494-W499 HydrophobicContact CD2-CG 3.6Å; L494-W499 HydrophobicContact CG-CB 3.92Å; L494-W499 HydrophobicContact CG-CD2 4.17Å; L494-W499 HydrophobicContact CG-CG 3.62Å; E495-W499 WeakPolarHBondContact O-CB 3.12Å; E495-W499 PolarHBondContact O-N 3.24Å; T496-W499 CarbonylContact O-C 3.58Å
500P94.5Very high85.2Confident24 Ų2474.5 Ų74.516%0.15637%0.371CS..  trans-61152.2179.726.9-37.5000112.3R190 Y191 K193 T496 E498R190-P500 WeakPolarHBondContact CA-O 3.24Å; Y191-P500 HydrophobicContact CD1-CG 4.39Å; Y191-P500 HydrophobicContact CD2-CG 4.09Å; Y191-P500 HydrophobicContact CE1-CB 4.41Å; Y191-P500 HydrophobicContact CE1-CG 3.85Å; Y191-P500 HydrophobicContact CE2-CG 3.5Å; Y191-P500 HydrophobicContact CG-CG 4.5Å; Y191-P500 PolarHBondContact N-O 3.17Å; Y191-P500 WeakPolarHBondContact O-CD 3.19Å; K193-P500 HydrophobicContact CB-CG 4.21Å; T496-P500 WeakPolarHBondContact O-CA 3.3Å; E498-P500 VanDerWaalsContact C-CD 3.44Å; E498-P500 WeakPolarHBondContact O-CD 3.31Å
501H93.7Very high83.5Confident69 Ų6976 Ų7632%0.31939%0.392SS..BIsolated β-bridgetrans-82.8127.8172.2-66.7-93.9000109.8E504H501-E504 HydrophobicContact CB-CG 4.34Å
502Q95.5Very high81.5Confident69 Ų6977.1 Ų77.132%0.32241%0.408SS..SBendtrans-79.8-39.7158.7178.760.935.700109.6V189 Y191 A209 D213V189-Q502 HydrophobicContact CB-CB 4.11Å; V189-Q502 HydrophobicContact CG1-CB 4.2Å; V189-Q502 WeakPolarHBondContact O-CB 3.26Å; V189-Q502 PolarHBondContact O-N 3.3Å; Y191-Q502 HydrophobicContact CD1-CB 4.39Å; Y191-Q502 HydrophobicContact CE1-CB 4.39Å; A209-Q502 HydrophobicContact CB-CB 4.22Å; A209-Q502 HydrophobicContact CB-CG 4.42Å; D213-Q502 HydrophobicContact CB-CG 3.74Å
503S93Very high79.3Confident16 Ų1675.8 Ų75.811%0.11241%0.411CS..SBendtrans-144.6147.8169.656.40000111.6G188 V189 D213 K231G188-S503 CarbonylContact C-O 3.51Å; G188-S503 WeakPolarHBondContact CA-O 3.45Å; V189-S503 PolarHBondContact N-O 2.98Å; V189-S503 PolarHBondContact N-OG 2.78Å; V189-S503 VanDerWaalsContact N-OG 3.12Å; V189-S503 PolarHBondContact O-N 3.22Å; V189-S503 VanDerWaalsContact O-N 3.15Å; D213-S503 WeakPolarHBondContact OD1-CB 3.23Å; D213-S503 PolarHBondContact OD1-OG 3.34Å; K231-S503 PolarHBondContact NZ-OG 2.86Å; K231-S503 VanDerWaalsContact NZ-OG 3.14Å
504E89.1Confident76.8Confident151 Ų15174.4 Ų74.471%0.70642%0.424SS*.  trans-88155.5179.2-65.7-174.7177.400111.5K231 H501K231-E504 WeakPolarHBondContact CG-O 3.33Å; H501-E504 HydrophobicContact CB-CG 4.34Å
505C85.1Confident74.4Confident27 Ų2779.3 Ų79.318%0.18246%0.455CS..  trans-132.5157.5171.955.90000109.9K231 T232 A507K231-C505 HydrophobicContact CB-CB 4.4Å; T232-C505 VanDerWaalsContact O-CB 3.28Å; T232-C505 WeakPolarHBondContact O-CB 3.21Å; C505-A507 PolarHBondContact O-N 3.08Å
506P82.3Confident72Confident68 Ų6877.8 Ų77.844%0.44246%0.458SS..PPolyproline II helixtrans-55.9137.7170.1-22.933.6000111K231 T232 Q233 A508K231-P506 WeakPolarHBondContact O-CD 3.42Å; T232-P506 WeakPolarHBondContact O-CD 3.42Å; Q233-P506 HydrophobicContact CG-CB 4.28Å; P506-A508 PolarHBondContact O-N 3.21Å
507A73.3Confident69.5Low76 Ų7678.6 Ų78.663%0.62847%0.474SS*.PPolyproline II helixtrans-56.7131.9179.100000111.2Q233 C505Q233-A507 PolarHBondContact NE2-O 3.07Å; C505-A507 PolarHBondContact O-N 3.08Å
508A65.5Low67.2Low16 Ų1679.2 Ų79.213%0.13248%0.476CS..PPolyproline II helixtrans-65.7137.8173.300000109.9P506 N510 S533P506-A508 PolarHBondContact O-N 3.21Å; A508-N510 PolarHBondContact O-N 3.12Å; A508-S533 WeakPolarHBondContact CB-OG 3.38Å
509W58.3Low64.7Low139 Ų13984.7 Ų84.753%0.52750%0.501SS..  trans-68.8111.9178.3-178.1-91000110.4G511 G513 V515W509-G511 VanDerWaalsContact C-N 3.26Å; W509-G511 VanDerWaalsContact CD1-N 3.28Å; W509-G511 PolarHBondContact O-N 3.13Å; W509-G513 WeakPolarHBondContact CH2-O 3.42Å; W509-G513 VanDerWaalsContact CZ2-O 3.28Å; W509-G513 WeakPolarHBondContact CZ2-O 3.25Å; W509-V515 HydrophobicContact CH2-CG2 3.69Å; W509-V515 HydrophobicContact CZ2-CG2 4.41Å; W509-V515 HydrophobicContact CZ3-CG2 4.39Å
510N56.6Low61.9Low87 Ų8794.2 Ų94.247%0.46554%0.543SS..  trans-86.417.7-177.168.2-4.1000114.1A508 S512A508-N510 PolarHBondContact O-N 3.12Å; N510-S512 PolarHBondContact O-N 2.67Å; N510-S512 PolarHBondContact O-OG 3.44Å; N510-S512 PolarHBondContact OD1-N 3.24Å; N510-S512 VanDerWaalsContact OD1-N 3.1Å; N510-S512 PolarHBondContact OD1-O 2.85Å
511G54.9Low59.1Low55 Ų55102 Ų10257%0.56758%0.577SS**SBendtrans71.5-5.1-178.700000115.2W509W509-G511 VanDerWaalsContact C-N 3.26Å; W509-G511 VanDerWaalsContact CD1-N 3.28Å; W509-G511 PolarHBondContact O-N 3.13Å
512S47.1Very low56.2Low97 Ų97107.5 Ų107.568%0.67860%0.6SS**  trans-129.371-166.2-49.30000110.8N510N510-S512 PolarHBondContact O-N 2.67Å; N510-S512 PolarHBondContact O-OG 3.44Å; N510-S512 PolarHBondContact OD1-N 3.24Å; N510-S512 VanDerWaalsContact OD1-N 3.1Å; N510-S512 PolarHBondContact OD1-O 2.85Å
513G41Very low53.2Low44 Ų44109.5 Ų109.545%0.45463%0.628SS.*  trans-166.9138.2175.900000113W509W509-G513 WeakPolarHBondContact CH2-O 3.42Å; W509-G513 VanDerWaalsContact CZ2-O 3.28Å; W509-G513 WeakPolarHBondContact CZ2-O 3.25Å
514A37.4Very low50.4Low105 Ų105113.5 Ų113.587%0.86866%0.656SS**  trans-70.2127.2170.300000109.6S516A514-S516 PolarHBondContact O-N 2.96Å; A514-S516 VanDerWaalsContact O-N 3.11Å
515V41.7Very low48.2Very low116 Ų116108.9 Ų108.970%0.70364%0.639SS**  trans-65.6110.7174.8-169.80000107.9W509 A517W509-V515 HydrophobicContact CH2-CG2 3.69Å; W509-V515 HydrophobicContact CZ2-CG2 4.41Å; W509-V515 HydrophobicContact CZ3-CG2 4.39Å; V515-A517 PolarHBondContact O-N 3.11Å; V515-A517 VanDerWaalsContact O-N 3.14Å
516S39.2Very low45.8Very low92 Ų92115.7 Ų115.764%0.64367%0.668SS**  trans-59.2118.3173.6178.20000109.6A514 R518A514-S516 PolarHBondContact O-N 2.96Å; A514-S516 VanDerWaalsContact O-N 3.11Å; S516-R518 PolarHBondContact O-N 3.48Å
517A38.2Very low43.5Very low106 Ų106118.2 Ų118.288%0.87668%0.677SS**THydrogen-bonded Turntrans-67.216.5-174.600000115.2V515V515-A517 PolarHBondContact O-N 3.11Å; V515-A517 VanDerWaalsContact O-N 3.14Å
518R41.5Very low41.9Very low234 Ų234121.8 Ų121.888%0.88368%0.681SS**THydrogen-bonded Turntrans-103.4-1.7-175.3-79.8-175.1177.5-177.70.2115.8S516 K520S516-R518 PolarHBondContact O-N 3.48Å; R518-K520 PolarHBondContact O-N 3.46Å
519Q36.8Very low40.7Very low180 Ų180130.2 Ų130.284%0.84171%0.709SS**SBendtrans-91.3100.6171.6-81.7-175.2-24.200111.2H521Q519-H521 PolarHBondContact O-N 3.37Å
520K34.8Very low39.9Very low207 Ų207133.3 Ų133.390%0.972%0.721SS**  trans-48.2124.4170.7-100.9178.1173.2177.10110.7R518 K522R518-K520 PolarHBondContact O-N 3.46Å; K520-K522 PolarHBondContact O-N 2.84Å
521H36.2Very low39.7Very low188 Ų188131.9 Ų131.987%0.8772%0.718SS**  trans-52128.2179.7-69.9-84.8000113.9Q519Q519-H521 PolarHBondContact O-N 3.37Å
522K32.2Very low40.2Very low185 Ų185130.8 Ų130.880%0.80471%0.707SS**  trans-107.1113.6146-111.5-179.9178.3175.80107.2K520 S524K520-K522 PolarHBondContact O-N 2.84Å; K522-S524 VanDerWaalsContact C-N 3.26Å; K522-S524 PolarHBondContact O-N 3.28Å
523A33.2Very low42Very low110 Ų110127.1 Ų127.191%0.90968%0.681SS**THydrogen-bonded Turntrans-79.358-17100000113.5
524S34.5Very low44.4Very low101 Ų101125.9 Ų125.971%0.70666%0.663SS**THydrogen-bonded Turntrans-134.83.2178.9-172.10000115K522K522-S524 VanDerWaalsContact C-N 3.26Å; K522-S524 PolarHBondContact O-N 3.28Å
525T42.5Very low47.2Very low54 Ų54121.1 Ų121.133%0.33162%0.623SS.*  trans-109.217.8-164.351.80000114.8R529T525-R529 WeakPolarHBondContact O-CD 3.28Å; T525-R529 VanDerWaalsContact O-CG 3.29Å; T525-R529 WeakPolarHBondContact O-CG 3.48Å
526Q34.5Very low49.8Very low169 Ų169115.6 Ų115.679%0.7959%0.589SS**THydrogen-bonded Turntrans-78.6-29.1-179.5-136.5175.43.600112.7
527D34Very low52.7Low121 Ų121111.2 Ų111.265%0.64756%0.559SS**THydrogen-bonded Turntrans-83.8-30.9173.1-92.5-29.5000113.3R529 R530D527-R529 PolarHBondContact O-N 2.97Å; D527-R530 PolarHBondContact O-N 3.15Å; D527-R530 VanDerWaalsContact O-N 3.16Å; D527-R530 IonicContact OD1-NH1 3.55Å; D527-R530 PolarHBondContact OD1-NH1 3.24Å
528E40.3Very low55.5Low152 Ų152106.1 Ų106.171%0.7152%0.517SS*.G310 helixtrans-64.2-21.1173-78.5-177.5162.600113R530E528-R530 VanDerWaalsContact C-N 3.3Å; E528-R530 PolarHBondContact O-N 3.18Å
529R40.1Very low58.2Low192 Ų19295 Ų9573%0.72548%0.475SS*.G310 helixtrans-81.1-4177.4-74.5172.5-177-172-0.2114.2T525 D527T525-R529 WeakPolarHBondContact O-CD 3.28Å; T525-R529 VanDerWaalsContact O-CG 3.29Å; T525-R529 WeakPolarHBondContact O-CG 3.48Å; D527-R529 PolarHBondContact O-N 2.97Å
530R40.8Very low61Low204 Ų20486.5 Ų86.577%0.7744%0.435SS*.G310 helixtrans-87.4-18.8-179.3-79.5-179.9167.6172.3-6.5113.9D527 E528D527-R530 PolarHBondContact O-N 3.15Å; D527-R530 VanDerWaalsContact O-N 3.16Å; D527-R530 IonicContact OD1-NH1 3.55Å; D527-R530 PolarHBondContact OD1-NH1 3.24Å; E528-R530 VanDerWaalsContact C-N 3.3Å; E528-R530 PolarHBondContact O-N 3.18Å
531S53Low63.7Low57 Ų5776.6 Ų76.640%0.39939%0.392SS..SBendtrans-89.5117.6167.6-164.10000108.2
532G64.5Low66.5Low33 Ų3367.7 Ų67.734%0.3435%0.351SS..PPolyproline II helixtrans-58.1164.4175.400000112S560G532-S560 WeakPolarHBondContact CA-O 3.39Å
533S85.2Confident69.6Low20 Ų2058.9 Ų58.914%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-58.2148170.5166.40000109.6Q233 A508 S560 C561 E562Q233-S533 PolarHBondContact O-OG 3.37Å; A508-S533 WeakPolarHBondContact CB-OG 3.38Å; S533-S560 PolarHBondContact N-O 2.9Å; S533-S560 VanDerWaalsContact N-O 3.13Å; S533-C561 CarbonylContact O-C 3.6Å; S533-C561 WeakPolarHBondContact O-CA 3.35Å; S533-C561 PolarHBondContact O-SG 3.48Å; S533-E562 PolarHBondContact O-N 3.49Å
534R91.4Very high72.7Confident18 Ų1853.9 Ų53.97%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-110.6135.2178.3-70.5-174.9173.3145.2-5.2112.2L183 E185 A234 Q235 E562L183-R534 PolarHBondContact O-NH1 3.12Å; E185-R534 IonicContact OE1-NH1 3.63Å; A234-R534 CarbonylContact C-O 3.55Å; A234-R534 WeakPolarHBondContact CA-O 3.36Å; A234-R534 HydrophobicContact CB-CB 4.17Å; A234-R534 WeakPolarHBondContact CB-O 2.95Å; Q235-R534 PolarHBondContact N-O 2.75Å; R534-E562 WeakPolarHBondContact CA-O 3.49Å; R534-E562 HydrophobicContact CG-CB 4.3Å; R534-E562 IonicContact CZ-OE2 3.39Å; R534-E562 IonicContact NE-OE2 3.37Å; R534-E562 PolarHBondContact NE-OE2 3.1Å; R534-E562 IonicContact NH2-OE2 3.89Å
535L95.6Very high75.7Confident4 Ų450.2 Ų50.22%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-109.2109.8168.2178.763.2000108.5Q235 L237 M486 A489 V490 I537 E562 V563 I564Q235-L535 HydrophobicContact CB-CD1 3.91Å; L237-L535 HydrophobicContact CD1-CD1 3.94Å; L237-L535 HydrophobicContact CG-CD1 3.89Å; M486-L535 HydrophobicContact CB-CD2 4.32Å; M486-L535 HydrophobicContact CG-CD2 4.41Å; A489-L535 HydrophobicContact CB-CD1 4.11Å; A489-L535 HydrophobicContact CB-CD2 3.91Å; V490-L535 HydrophobicContact CG2-CD2 3.93Å; L535-I537 HydrophobicContact CD2-CD1 4.19Å; L535-I537 HydrophobicContact CG-CD1 4.35Å; L535-I537 HydrophobicContact CG-CG1 4.22Å; L535-E562 PolarHBondContact N-O 3.28Å; L535-V563 HydrophobicContact CB-CG2 4.33Å; L535-V563 HydrophobicContact CD2-CG1 4.44Å; L535-V563 HydrophobicContact CD2-CG2 4.32Å; L535-V563 CarbonylContact O-C 3.59Å; L535-V563 WeakPolarHBondContact O-CA 3.31Å; L535-I564 PolarHBondContact O-N 3.12Å
536I97.9Very high78.4Confident0 Ų047.9 Ų47.90%023%0.228CC..EExtended strand (participates in β ladder)trans-97.6130.6177.1-53.1171.7000108F145 L179 L183 Q235 L236 L237 I564F145-I536 HydrophobicContact CE1-CG2 4.21Å; F145-I536 HydrophobicContact CZ-CG2 4.45Å; L179-I536 HydrophobicContact CD2-CG2 4Å; L183-I536 HydrophobicContact CD1-CD1 4.05Å; Q235-I536 PolarHBondContact O-N 2.89Å; L236-I536 CarbonylContact C-O 3.59Å; L236-I536 VanDerWaalsContact CA-O 3.31Å; L236-I536 WeakPolarHBondContact CA-O 3.36Å; L236-I536 HydrophobicContact CD1-CB 3.82Å; L236-I536 HydrophobicContact CD1-CG2 3.55Å; L237-I536 PolarHBondContact N-O 3.38Å; I536-I564 CarbonylContact C-O 3.59Å; I536-I564 WeakPolarHBondContact CA-O 3.35Å
537I98.3Very high81.4Confident0 Ų040 Ų400%019%0.191CC..EExtended strand (participates in β ladder)trans-122.3130.3178-63.9175.1000108.8L237 I482 M486 L535 V539 V563 I564 I565 G566L237-I537 HydrophobicContact CB-CG1 4.3Å; L237-I537 HydrophobicContact CD1-CG1 4.41Å; L237-I537 WeakPolarHBondContact O-CA 3.13Å; I482-I537 HydrophobicContact CD1-CD1 4.45Å; I482-I537 HydrophobicContact CD1-CG2 3.95Å; I482-I537 HydrophobicContact CG1-CD1 4.26Å; I482-I537 HydrophobicContact CG1-CG2 4.21Å; M486-I537 HydrophobicContact CB-CD1 4.44Å; M486-I537 HydrophobicContact CE-CD1 3.54Å; M486-I537 HydrophobicContact CG-CD1 3.22Å; M486-I537 HydrophobicContact SD-CD1 4.2Å; L535-I537 HydrophobicContact CD2-CD1 4.19Å; L535-I537 HydrophobicContact CG-CD1 4.35Å; L535-I537 HydrophobicContact CG-CG1 4.22Å; I537-V539 HydrophobicContact CG2-CG2 4.38Å; I537-V563 HydrophobicContact CD1-CG1 4.17Å; I537-I564 PolarHBondContact N-O 3.29Å; I537-I565 HydrophobicContact CB-CB 4.48Å; I537-I565 HydrophobicContact CB-CG1 4.2Å; I537-I565 HydrophobicContact CG2-CD1 4.32Å; I537-I565 HydrophobicContact CG2-CG1 4.13Å; I537-I565 CarbonylContact O-C 3.51Å; I537-I565 WeakPolarHBondContact O-CA 3.43Å; I537-G566 PolarHBondContact O-N 3.15Å
538F98.6Very high84.4Confident0 Ų034.3 Ų34.30%016%0.161CC..EExtended strand (participates in β ladder)trans-123.2116174.2-171-93.1000110.7F145 L172 I176 L208 L236 L237 I238 V239 I540 G566F145-F538 AromaticContact CE2-CD2 3.83Å; F145-F538 HydrophobicContact CE2-CD2 3.83Å; F145-F538 HydrophobicContact CE2-CE2 4.15Å; F145-F538 AromaticContact CZ-CD2 3.8Å; F145-F538 HydrophobicContact CZ-CD2 3.8Å; L172-F538 HydrophobicContact CB-CZ 4.45Å; L172-F538 HydrophobicContact CD1-CE1 4.38Å; L172-F538 HydrophobicContact CD1-CZ 4.26Å; L172-F538 HydrophobicContact CD2-CZ 4.23Å; I176-F538 HydrophobicContact CD1-CB 4.31Å; I176-F538 HydrophobicContact CD1-CD1 3.74Å; I176-F538 HydrophobicContact CD1-CD2 3.75Å; I176-F538 HydrophobicContact CD1-CE1 3.92Å; I176-F538 HydrophobicContact CD1-CE2 3.93Å; I176-F538 HydrophobicContact CD1-CG 3.64Å; I176-F538 HydrophobicContact CD1-CZ 4.01Å; I176-F538 HydrophobicContact CG1-CD2 3.79Å; I176-F538 HydrophobicContact CG1-CE2 3.93Å; I176-F538 HydrophobicContact CG1-CG 4.16Å; I176-F538 HydrophobicContact CG1-CZ 4.43Å; L208-F538 HydrophobicContact CD2-CD1 3.75Å; L208-F538 HydrophobicContact CD2-CE1 3.67Å; L236-F538 HydrophobicContact CD1-CB 4.48Å; L237-F538 PolarHBondContact O-N 2.98Å; I238-F538 WeakPolarHBondContact CA-O 3.33Å; I238-F538 HydrophobicContact CG1-CB 4.4Å; V239-F538 PolarHBondContact N-O 3.13Å; F538-I540 HydrophobicContact CD1-CG1 4.19Å; F538-I540 HydrophobicContact CE1-CG1 4.05Å; F538-G566 WeakPolarHBondContact CA-O 3.26Å
539V97.9Very high87.2Confident1 Ų128 Ų281%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-95.9124.8173.8-1740000109V239 I537 G541 G542 I543 G566 S567V239-V539 HydrophobicContact CG2-CB 3.9Å; V239-V539 HydrophobicContact CG2-CG1 3.95Å; V239-V539 HydrophobicContact CG2-CG2 3.57Å; I537-V539 HydrophobicContact CG2-CG2 4.38Å; V539-G541 PolarHBondContact O-N 3.28Å; V539-G542 WeakPolarHBondContact CG1-O 3.32Å; V539-I543 HydrophobicContact CB-CG2 3.63Å; V539-I543 HydrophobicContact CG1-CG2 4.43Å; V539-I543 HydrophobicContact CG2-CG2 3.44Å; V539-I543 VanDerWaalsContact CG2-CG2 3.44Å; V539-G566 PolarHBondContact N-O 3.08Å; V539-S567 WeakPolarHBondContact O-CA 3.4Å; V539-S567 WeakPolarHBondContact O-CB 3.36Å; V539-S567 PolarHBondContact O-OG 3.4Å
540I96Very high89.9Confident0 Ų018.9 Ų18.90%010%0.096CC..EExtended strand (participates in β ladder)trans-77.8117.7175.4-58175.2000108.7I156 Y157 N204 A205 L208 I238 V239 R241 F538I156-I540 HydrophobicContact CD1-CG2 3.63Å; I156-I540 HydrophobicContact CG2-CG2 4.13Å; Y157-I540 HydrophobicContact CE2-CG2 4.38Å; Y157-I540 PolarHBondContact OH-O 2.82Å; N204-I540 HydrophobicContact CB-CD1 4.03Å; A205-I540 HydrophobicContact CB-CD1 4.38Å; L208-I540 HydrophobicContact CB-CD1 4.28Å; L208-I540 HydrophobicContact CD2-CD1 3.71Å; L208-I540 HydrophobicContact CD2-CG1 3.75Å; I238-I540 HydrophobicContact CG2-CD1 4.05Å; I238-I540 HydrophobicContact CG2-CG1 4.3Å; V239-I540 PolarHBondContact O-N 3.43Å; R241-I540 WeakPolarHBondContact CB-O 3.27Å; R241-I540 PolarHBondContact N-O 2.94Å; F538-I540 HydrophobicContact CD1-CG1 4.19Å; F538-I540 HydrophobicContact CE1-CG1 4.05Å
541G90.1Very high92.6Very high0 Ų09.1 Ų9.10%06%0.059CC..THydrogen-bonded Turntrans94.330.7170.300000116F153 V539F153-G541 VanDerWaalsContact CD2-O 3.26Å; F153-G541 WeakPolarHBondContact CD2-O 3.48Å; V539-G541 PolarHBondContact O-N 3.28Å
542G95.9Very high94.6Very high0 Ų07.7 Ų7.70%05%0.045CC..  trans115.5134.7171.100000113.1R241 V539 S567 H569R241-G542 WeakPolarHBondContact CD-O 3.41Å; R241-G542 PolarHBondContact NH1-O 3.05Å; V539-G542 WeakPolarHBondContact CG1-O 3.32Å; G542-S567 VanDerWaalsContact C-OG 3.28Å; G542-S567 WeakPolarHBondContact CA-OG 3.24Å; G542-S567 PolarHBondContact N-OG 3.08Å; G542-H569 WeakPolarHBondContact CA-O 3.35Å
543I97.9Very high96.1Very high0 Ų09.4 Ų9.40%04%0.044CC..EExtended strand (participates in β ladder)trans-111.5142.2164.151.1177.2000110V144 V539 M548 I565 S567 H569 I570 V571V144-I543 HydrophobicContact CG1-CD1 3.74Å; V539-I543 HydrophobicContact CB-CG2 3.63Å; V539-I543 HydrophobicContact CG1-CG2 4.43Å; V539-I543 HydrophobicContact CG2-CG2 3.44Å; V539-I543 VanDerWaalsContact CG2-CG2 3.44Å; I543-M548 HydrophobicContact CD1-CG 3.86Å; I543-M548 HydrophobicContact CD1-SD 4.39Å; I543-M548 HydrophobicContact CG1-CG 4.41Å; I543-I565 HydrophobicContact CD1-CG1 4.47Å; I543-I565 HydrophobicContact CG2-CD1 4.12Å; I543-I565 HydrophobicContact CG2-CG1 4.16Å; I543-S567 PolarHBondContact N-OG 3.18Å; I543-H569 PolarHBondContact N-O 3.24Å; I543-H569 VanDerWaalsContact N-O 3.15Å; I543-I570 HydrophobicContact CD1-CG1 4.43Å; I543-I570 HydrophobicContact CG1-CG1 4.19Å; I543-I570 CarbonylContact O-C 3.53Å; I543-I570 WeakPolarHBondContact O-CA 2.96Å; I543-V571 WeakPolarHBondContact O-CG2 3.46Å; I543-V571 PolarHBondContact O-N 2.85Å
544S98Very high96.5Very high6 Ų68.5 Ų8.54%0.0424%0.038CC..EExtended strand (participates in β ladder)trans-89.9159.7173.561.80000111.7S546 E547 M548S544-S546 PolarHBondContact O-N 3.2Å; S544-S546 PolarHBondContact OG-OG 2.99Å; S544-E547 PolarHBondContact N-OE2 3.21Å; S544-E547 PolarHBondContact O-N 3.49Å; S544-E547 VanDerWaalsContact OG-CD 3.31Å; S544-E547 VanDerWaalsContact OG-CG 3.28Å; S544-E547 WeakPolarHBondContact OG-CG 3.47Å; S544-E547 PolarHBondContact OG-OE2 3.37Å; S544-M548 WeakPolarHBondContact O-CG 3.41Å; S544-M548 PolarHBondContact O-N 3.47Å
545Y98.1Very high96.6Very high24 Ų249 Ų99%0.0944%0.043CC..Hα-helixtrans-63.1-27.7177.7-68.7-77.8000113.7Q256 Y260 M548 R549 I570 T572Q256-Y545 HydrophobicContact CG-CD1 3.57Å; Q256-Y545 HydrophobicContact CG-CE1 4.05Å; Q256-Y545 HydrophobicContact CG-CG 4.23Å; Y260-Y545 HydrophobicContact CD1-CE1 4.38Å; Y260-Y545 AromaticContact CD1-CE2 3.88Å; Y260-Y545 HydrophobicContact CD1-CE2 3.88Å; Y260-Y545 AromaticContact CD1-CZ 3.52Å; Y260-Y545 WeakPolarHBondContact CD1-OH 3.39Å; Y260-Y545 HydrophobicContact CD2-CE1 4.3Å; Y260-Y545 HydrophobicContact CD2-CE2 4.44Å; Y260-Y545 HydrophobicContact CE1-CE1 4.46Å; Y260-Y545 AromaticContact CE1-CZ 3.86Å; Y260-Y545 WeakPolarHBondContact CE1-OH 3.35Å; Y260-Y545 HydrophobicContact CE2-CE1 4.41Å; Y260-Y545 HydrophobicContact CG-CD2 4.44Å; Y260-Y545 HydrophobicContact CG-CE1 4.26Å; Y260-Y545 AromaticContact CG-CE2 3.72Å; Y260-Y545 HydrophobicContact CG-CE2 3.72Å; Y260-Y545 AromaticContact CG-CZ 3.61Å; Y545-M548 HydrophobicContact CD1-CE 3.92Å; Y545-M548 HydrophobicContact CD1-SD 3.72Å; Y545-M548 HydrophobicContact CE1-CE 4.14Å; Y545-M548 HydrophobicContact CE1-SD 4.13Å; Y545-M548 HydrophobicContact CG-SD 4.36Å; Y545-M548 PolarHBondContact O-N 2.81Å; Y545-R549 PolarHBondContact O-N 3.29Å; Y545-I570 HydrophobicContact CD1-CG2 4.44Å; Y545-I570 HydrophobicContact CD2-CG2 4.36Å; Y545-I570 HydrophobicContact CE1-CG2 3.93Å; Y545-I570 HydrophobicContact CE2-CG2 3.81Å; Y545-T572 HydrophobicContact CE2-CG2 4.04Å
546S97.3Very high96.4Very high5 Ų516.3 Ų16.34%0.0358%0.077CC..Hα-helixtrans-72.1-34.7175.452.80000112.1T247 S544 R549 S550T247-S546 WeakPolarHBondContact CG2-OG 3.47Å; S544-S546 PolarHBondContact O-N 3.2Å; S544-S546 PolarHBondContact OG-OG 2.99Å; S546-R549 WeakPolarHBondContact O-CB 3.16Å; S546-S550 PolarHBondContact O-N 2.98Å; S546-S550 PolarHBondContact O-OG 2.94Å
547E98.3Very high96Very high4 Ų420 Ų202%0.01910%0.103CC..Hα-helixtrans-69.5-40.7171.3-67.2168.5132.700111.5R241 T247 P480 I482 S544 R549 S550 A551 I565R241-E547 IonicContact CZ-OE1 3.2Å; R241-E547 IonicContact CZ-OE2 3.73Å; R241-E547 VanDerWaalsContact NH1-CD 3.32Å; R241-E547 IonicContact NH1-OE1 2.84Å; R241-E547 PolarHBondContact NH1-OE1 3.12Å; R241-E547 VanDerWaalsContact NH1-OE1 3.08Å; R241-E547 IonicContact NH1-OE2 2.86Å; R241-E547 PolarHBondContact NH1-OE2 3.45Å; R241-E547 IonicContact NH2-OE1 3.72Å; R241-E547 PolarHBondContact NH2-OE1 3.38Å; R241-E547 IonicContact NH2-OE2 3.51Å; T247-E547 HydrophobicContact CG2-CG 3.78Å; P480-E547 HydrophobicContact CB-CG 4.19Å; I482-E547 HydrophobicContact CG2-CB 3.98Å; I482-E547 HydrophobicContact CG2-CG 3.81Å; S544-E547 PolarHBondContact N-OE2 3.21Å; S544-E547 PolarHBondContact O-N 3.49Å; S544-E547 VanDerWaalsContact OG-CD 3.31Å; S544-E547 VanDerWaalsContact OG-CG 3.28Å; S544-E547 WeakPolarHBondContact OG-CG 3.47Å; S544-E547 PolarHBondContact OG-OE2 3.37Å; E547-R549 VanDerWaalsContact C-N 3.34Å; E547-R549 PolarHBondContact O-N 2.87Å; E547-S550 VanDerWaalsContact O-CB 3.31Å; E547-S550 WeakPolarHBondContact O-CB 3.34Å; E547-S550 PolarHBondContact O-N 3.43Å; E547-S550 VanDerWaalsContact O-N 3.07Å; E547-A551 PolarHBondContact O-N 2.93Å; E547-I565 HydrophobicContact CB-CD1 4.14Å
548M98.2Very high95.3Very high1 Ų121.8 Ų21.81%0.00511%0.114CC..Hα-helixtrans-55.3-49.3172.4-69.5166.55700111E141 V144 I543 S544 Y545 S550 A551 Y552 I570E141-M548 VanDerWaalsContact CD-CE 3.47Å; E141-M548 HydrophobicContact CG-CE 4.13Å; V144-M548 HydrophobicContact CB-CE 4.22Å; V144-M548 HydrophobicContact CG1-CE 3.94Å; V144-M548 HydrophobicContact CG1-CG 3.98Å; V144-M548 HydrophobicContact CG1-SD 4.18Å; V144-M548 HydrophobicContact CG2-CB 4.04Å; V144-M548 HydrophobicContact CG2-CE 3.9Å; V144-M548 HydrophobicContact CG2-CG 3.92Å; I543-M548 HydrophobicContact CD1-CG 3.86Å; I543-M548 HydrophobicContact CD1-SD 4.39Å; I543-M548 HydrophobicContact CG1-CG 4.41Å; S544-M548 WeakPolarHBondContact O-CG 3.41Å; S544-M548 PolarHBondContact O-N 3.47Å; Y545-M548 HydrophobicContact CD1-CE 3.92Å; Y545-M548 HydrophobicContact CD1-SD 3.72Å; Y545-M548 HydrophobicContact CE1-CE 4.14Å; Y545-M548 HydrophobicContact CE1-SD 4.13Å; Y545-M548 HydrophobicContact CG-SD 4.36Å; Y545-M548 PolarHBondContact O-N 2.81Å; M548-S550 PolarHBondContact O-N 3.26Å; M548-A551 WeakPolarHBondContact O-CB 3.34Å; M548-A551 PolarHBondContact O-N 3.31Å; M548-A551 VanDerWaalsContact O-N 3.16Å; M548-Y552 VanDerWaalsContact O-CD2 3.29Å; M548-Y552 WeakPolarHBondContact O-CD2 3.21Å; M548-I570 HydrophobicContact CE-CD1 4.14Å; M548-I570 HydrophobicContact SD-CD1 4Å; M548-I570 HydrophobicContact SD-CG1 4.21Å; M548-I570 HydrophobicContact SD-CG2 3.94Å
549R97.6Very high94.4Very high19 Ų1931 Ų317%0.07215%0.154CC..Hα-helixtrans-54.1-39.1175.4-180-171.971.9-147.9-1.9112.4E252 T254 H296 Y545 S546 E547 A551 Y552 Q553E252-R549 IonicContact OE1-CZ 3.71Å; E252-R549 IonicContact OE1-NH1 3.31Å; E252-R549 PolarHBondContact OE1-NH1 2.69Å; E252-R549 IonicContact OE1-NH2 3.74Å; E252-R549 PolarHBondContact OE1-NH2 3.19Å; T254-R549 PolarHBondContact OG1-NH1 3.43Å; H296-R549 HydrophobicContact CB-CG 3.97Å; Y545-R549 PolarHBondContact O-N 3.29Å; S546-R549 WeakPolarHBondContact O-CB 3.16Å; E547-R549 VanDerWaalsContact C-N 3.34Å; E547-R549 PolarHBondContact O-N 2.87Å; R549-A551 VanDerWaalsContact C-N 3.28Å; R549-A551 PolarHBondContact O-N 3.26Å; R549-Y552 PolarHBondContact O-N 3.34Å; R549-Q553 HydrophobicContact CG-CG 4.21Å; R549-Q553 WeakPolarHBondContact O-CG 3.45Å; R549-Q553 PolarHBondContact O-N 3.23Å
550S97.3Very high93.7Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-61.4-36.9-177.5-59.10000111.8S546 E547 M548 Y552 Q553 V554S546-S550 PolarHBondContact O-N 2.98Å; S546-S550 PolarHBondContact O-OG 2.94Å; E547-S550 VanDerWaalsContact O-CB 3.31Å; E547-S550 WeakPolarHBondContact O-CB 3.34Å; E547-S550 PolarHBondContact O-N 3.43Å; E547-S550 VanDerWaalsContact O-N 3.07Å; M548-S550 PolarHBondContact O-N 3.26Å; S550-Y552 PolarHBondContact O-N 3.41Å; S550-Q553 PolarHBondContact O-N 3.11Å; S550-V554 WeakPolarHBondContact O-CG2 3.45Å; S550-V554 PolarHBondContact O-N 3.46Å
551A97.1Very high93.3Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-61.7-42.6175.100000112.6M486 E547 M548 R549 T555 V563 I565M486-A551 HydrophobicContact CE-CB 3.97Å; E547-A551 PolarHBondContact O-N 2.93Å; M548-A551 WeakPolarHBondContact O-CB 3.34Å; M548-A551 PolarHBondContact O-N 3.31Å; M548-A551 VanDerWaalsContact O-N 3.16Å; R549-A551 VanDerWaalsContact C-N 3.28Å; R549-A551 PolarHBondContact O-N 3.26Å; A551-T555 WeakPolarHBondContact O-CB 3.37Å; A551-T555 PolarHBondContact O-N 2.84Å; A551-T555 PolarHBondContact O-OG1 3.14Å; A551-V563 HydrophobicContact CB-CB 4.19Å; A551-V563 HydrophobicContact CB-CG1 3.83Å; A551-I565 HydrophobicContact CB-CB 4.18Å; A551-I565 HydrophobicContact CB-CG2 3.69Å
552Y95.9Very high93.4Very high26 Ų2635.7 Ų35.710%0.10218%0.183CC..Hα-helixtrans-66.1-43.4175.4-68.2-87.2000112.2E141 S142 Q143 V144 R295 H296 M548 R549 S550 V554 T555 Q556E141-Y552 WeakPolarHBondContact CB-OH 3.27Å; E141-Y552 VanDerWaalsContact OE2-CE2 3.22Å; E141-Y552 WeakPolarHBondContact OE2-CE2 3.45Å; E141-Y552 PolarHBondContact OE2-OH 3.16Å; S142-Y552 PolarHBondContact OG-OH 3.42Å; Q143-Y552 HydrophobicContact CB-CD1 4.46Å; Q143-Y552 HydrophobicContact CB-CE1 3.87Å; Q143-Y552 HydrophobicContact CB-CE2 4.26Å; Q143-Y552 HydrophobicContact CG-CD1 4.14Å; Q143-Y552 HydrophobicContact CG-CE1 3.67Å; Q143-Y552 PolarHBondContact N-OH 3.39Å; Q143-Y552 VanDerWaalsContact OE1-CA 3.3Å; V144-Y552 HydrophobicContact CG2-CE2 3.98Å; R295-Y552 VanDerWaalsContact NH2-CE1 3.32Å; R295-Y552 PolarHBondContact NH2-OH 3.44Å; H296-Y552 AromaticContact CD2-CD2 3.79Å; H296-Y552 AromaticContact CD2-CG 3.78Å; H296-Y552 AromaticContact CE1-CD2 3.72Å; H296-Y552 AromaticContact CE1-CE2 3.87Å; H296-Y552 AromaticContact NE2-CD2 3.11Å; H296-Y552 WeakPolarHBondContact NE2-CD2 3.32Å; H296-Y552 AromaticContact NE2-CE2 3.31Å; H296-Y552 VanDerWaalsContact NE2-CE2 3.31Å; H296-Y552 WeakPolarHBondContact NE2-CE2 3.34Å; H296-Y552 AromaticContact NE2-CG 3.52Å; H296-Y552 AromaticContact NE2-CZ 3.89Å; M548-Y552 VanDerWaalsContact O-CD2 3.29Å; M548-Y552 WeakPolarHBondContact O-CD2 3.21Å; R549-Y552 PolarHBondContact O-N 3.34Å; S550-Y552 PolarHBondContact O-N 3.41Å; Y552-V554 PolarHBondContact O-N 3.03Å; Y552-T555 PolarHBondContact O-N 3.22Å; Y552-Q556 VanDerWaalsContact O-CB 3.28Å; Y552-Q556 WeakPolarHBondContact O-CB 3.18Å; Y552-Q556 PolarHBondContact O-N 3.06Å
553Q94.8Very high93.4Very high69 Ų6935.7 Ų35.732%0.32218%0.183SC..Hα-helixtrans-60.3-46.4178.4-73.1-179.6-19.800111.4R549 S550 Q556 S557R549-Q553 HydrophobicContact CG-CG 4.21Å; R549-Q553 WeakPolarHBondContact O-CG 3.45Å; R549-Q553 PolarHBondContact O-N 3.23Å; S550-Q553 PolarHBondContact O-N 3.11Å; Q553-Q556 PolarHBondContact O-N 3.3Å; Q553-S557 PolarHBondContact O-N 3.27Å; Q553-S557 PolarHBondContact O-OG 2.98Å
554V94.3Very high93.4Very high1 Ų135.8 Ų35.81%0.00618%0.184CC..Hα-helixtrans-68.8-39.6179.8177.60000111.7K483 M486 E487 V490 S550 Y552 Q556 S557 V558 V563K483-V554 HydrophobicContact CG-CG2 3.93Å; M486-V554 HydrophobicContact CB-CB 4.35Å; M486-V554 HydrophobicContact CB-CG1 4.14Å; M486-V554 HydrophobicContact CB-CG2 3.91Å; M486-V554 HydrophobicContact SD-CG2 4.17Å; E487-V554 HydrophobicContact CG-CG1 4.45Å; E487-V554 HydrophobicContact CG-CG2 3.93Å; V490-V554 HydrophobicContact CG2-CG1 4.45Å; S550-V554 WeakPolarHBondContact O-CG2 3.45Å; S550-V554 PolarHBondContact O-N 3.46Å; Y552-V554 PolarHBondContact O-N 3.03Å; V554-Q556 VanDerWaalsContact C-N 3.3Å; V554-Q556 PolarHBondContact O-N 2.95Å; V554-S557 WeakPolarHBondContact CA-OG 3.49Å; V554-S557 PolarHBondContact O-N 2.91Å; V554-S557 PolarHBondContact O-OG 2.93Å; V554-V558 PolarHBondContact O-N 3.22Å; V554-V563 HydrophobicContact CB-CG2 4.12Å; V554-V563 HydrophobicContact CG1-CG2 3.8Å
555T93.1Very high93.4Very high28 Ų2835.5 Ų35.517%0.17218%0.182CC..Hα-helixtrans-63.1-39.9174.6-57.30000111.6Q143 A551 Y552 V558 V563Q143-T555 VanDerWaalsContact NE2-CG2 3.33Å; Q143-T555 PolarHBondContact NE2-OG1 3.04Å; A551-T555 WeakPolarHBondContact O-CB 3.37Å; A551-T555 PolarHBondContact O-N 2.84Å; A551-T555 PolarHBondContact O-OG1 3.14Å; Y552-T555 PolarHBondContact O-N 3.22Å; T555-V558 CarbonylContact O-C 3.43Å; T555-V563 PolarHBondContact OG1-N 2.91Å
556Q91.6Very high93.4Very high158 Ų15834.4 Ų34.474%0.73818%0.177SC*.Hα-helixtrans-69.3-35.5-179.8-174.6174.7-9.700112.2Y552 Q553 V554Y552-Q556 VanDerWaalsContact O-CB 3.28Å; Y552-Q556 WeakPolarHBondContact O-CB 3.18Å; Y552-Q556 PolarHBondContact O-N 3.06Å; Q553-Q556 PolarHBondContact O-N 3.3Å; V554-Q556 VanDerWaalsContact C-N 3.3Å; V554-Q556 PolarHBondContact O-N 2.95Å
557S89.8Confident93.5Very high79 Ų7934.2 Ų34.255%0.55218%0.176SC*.Hα-helixtrans-76.1-43.6176.1540000111.8Q553 V554Q553-S557 PolarHBondContact O-N 3.27Å; Q553-S557 PolarHBondContact O-OG 2.98Å; V554-S557 WeakPolarHBondContact CA-OG 3.49Å; V554-S557 PolarHBondContact O-N 2.91Å; V554-S557 PolarHBondContact O-OG 2.93Å
558V83.8Confident93.4Very high37 Ų3734 Ų3422%0.22418%0.175CC..  trans-103.980.2180-168.60000111.1V490 V554 T555 S560 C561V490-V558 HydrophobicContact CG1-CB 3.96Å; V490-V558 HydrophobicContact CG1-CG1 3.36Å; V490-V558 HydrophobicContact CG1-CG2 4.02Å; V554-V558 PolarHBondContact O-N 3.22Å; T555-V558 CarbonylContact O-C 3.43Å; V558-S560 WeakPolarHBondContact CG1-OG 3.46Å; V558-S560 PolarHBondContact O-N 3.35Å; V558-C561 HydrophobicContact CG1-CB 4.3Å; V558-C561 PolarHBondContact O-N 3.07Å
559K79.4Confident93.3Very high193 Ų19334.7 Ų34.784%0.83918%0.178SC*.THydrogen-bonded Turntrans-56.9-16.5-177.9-62.2-178.9-178.2173.80115.6
560S83Confident93.3Very high60 Ų6035.3 Ų35.342%0.4218%0.183SC..THydrogen-bonded Turntrans-85.2-12.5178.654.50000113.7G532 S533 V558G532-S560 WeakPolarHBondContact CA-O 3.39Å; S533-S560 PolarHBondContact N-O 2.9Å; S533-S560 VanDerWaalsContact N-O 3.13Å; V558-S560 WeakPolarHBondContact CG1-OG 3.46Å; V558-S560 PolarHBondContact O-N 3.35Å
561C87.8Confident93.2Very high10 Ų1035.4 Ų35.47%0.06818%0.183CC..EExtended strand (participates in β ladder)trans-132.5128.4-178.4-173.40000111.9V490 S533 V558V490-C561 HydrophobicContact CG1-CB 3.98Å; V490-C561 HydrophobicContact CG2-CB 4.15Å; S533-C561 CarbonylContact O-C 3.6Å; S533-C561 WeakPolarHBondContact O-CA 3.35Å; S533-C561 PolarHBondContact O-SG 3.48Å; V558-C561 HydrophobicContact CG1-CB 4.3Å; V558-C561 PolarHBondContact O-N 3.07Å
562E92.4Very high93.2Very high30 Ų3036.1 Ų36.114%0.1419%0.188CC..EExtended strand (participates in β ladder)trans-93.5122.5172.7178.3179.7-144.300109.8S533 R534 L535 I564S533-E562 PolarHBondContact O-N 3.49Å; R534-E562 WeakPolarHBondContact CA-O 3.49Å; R534-E562 HydrophobicContact CG-CB 4.3Å; R534-E562 IonicContact CZ-OE2 3.39Å; R534-E562 IonicContact NE-OE2 3.37Å; R534-E562 PolarHBondContact NE-OE2 3.1Å; R534-E562 IonicContact NH2-OE2 3.89Å; L535-E562 PolarHBondContact N-O 3.28Å; E562-I564 HydrophobicContact CG-CG1 4.24Å
563V95.9Very high93.2Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-95.1126.4175.9-172.90000109.6Q143 M486 L535 I537 A551 V554 T555Q143-V563 PolarHBondContact NE2-O 3.4Å; M486-V563 HydrophobicContact CE-CG1 4.05Å; M486-V563 HydrophobicContact CG-CG1 4.11Å; M486-V563 HydrophobicContact SD-CG1 4.14Å; L535-V563 HydrophobicContact CB-CG2 4.33Å; L535-V563 HydrophobicContact CD2-CG1 4.44Å; L535-V563 HydrophobicContact CD2-CG2 4.32Å; L535-V563 CarbonylContact O-C 3.59Å; L535-V563 WeakPolarHBondContact O-CA 3.31Å; I537-V563 HydrophobicContact CD1-CG1 4.17Å; A551-V563 HydrophobicContact CB-CB 4.19Å; A551-V563 HydrophobicContact CB-CG1 3.83Å; V554-V563 HydrophobicContact CB-CG2 4.12Å; V554-V563 HydrophobicContact CG1-CG2 3.8Å; T555-V563 PolarHBondContact OG1-N 2.91Å
564I97.6Very high93.3Very high2 Ų236 Ų361%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-120.2121.4175.6-61.9174.7000108Q143 F145 L183 L535 I536 I537 E562Q143-I564 WeakPolarHBondContact O-CA 3.43Å; F145-I564 HydrophobicContact CD1-CG2 3.67Å; F145-I564 HydrophobicContact CE1-CG2 3.99Å; L183-I564 HydrophobicContact CD1-CD1 3.61Å; L183-I564 HydrophobicContact CD2-CD1 4.02Å; L183-I564 HydrophobicContact CG-CD1 4.49Å; L535-I564 PolarHBondContact O-N 3.12Å; I536-I564 CarbonylContact C-O 3.59Å; I536-I564 WeakPolarHBondContact CA-O 3.35Å; I537-I564 PolarHBondContact N-O 3.29Å; E562-I564 HydrophobicContact CG-CG1 4.24Å
565I98.4Very high93.3Very high0 Ų040.7 Ų40.70%021%0.212CC..EExtended strand (participates in β ladder)trans-113143.7-179.1-171.6168.3000111.1Q143 V144 F145 M486 I537 I543 E547 A551Q143-I565 PolarHBondContact O-N 3.18Å; V144-I565 VanDerWaalsContact CA-O 3.28Å; V144-I565 WeakPolarHBondContact CA-O 3.31Å; V144-I565 HydrophobicContact CG2-CG2 4.02Å; F145-I565 WeakPolarHBondContact CD1-O 3.33Å; F145-I565 PolarHBondContact N-O 3Å; M486-I565 HydrophobicContact CE-CB 4.49Å; M486-I565 HydrophobicContact CE-CD1 3.8Å; I537-I565 HydrophobicContact CB-CB 4.48Å; I537-I565 HydrophobicContact CB-CG1 4.2Å; I537-I565 HydrophobicContact CG2-CD1 4.32Å; I537-I565 HydrophobicContact CG2-CG1 4.13Å; I537-I565 CarbonylContact O-C 3.51Å; I537-I565 WeakPolarHBondContact O-CA 3.43Å; I543-I565 HydrophobicContact CD1-CG1 4.47Å; I543-I565 HydrophobicContact CG2-CD1 4.12Å; I543-I565 HydrophobicContact CG2-CG1 4.16Å; E547-I565 HydrophobicContact CB-CD1 4.14Å; A551-I565 HydrophobicContact CB-CB 4.18Å; A551-I565 HydrophobicContact CB-CG2 3.69Å
566G98.1Very high93.5Very high0 Ų039.4 Ų39.40%020%0.204CC..EExtended strand (participates in β ladder)trans-158.6178.9175.200000113.6F145 I537 F538 V539F145-G566 VanDerWaalsContact CE1-CA 3.4Å; F145-G566 VanDerWaalsContact CE1-N 3.31Å; F145-G566 WeakPolarHBondContact O-CA 3.4Å; I537-G566 PolarHBondContact O-N 3.15Å; F538-G566 WeakPolarHBondContact CA-O 3.26Å; V539-G566 PolarHBondContact N-O 3.08Å
567S98.4Very high93.7Very high1 Ų131.9 Ų31.91%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-163.1-179.5-173.1176.30000110.6F145 T146 C147 V539 G542 I543 H569F145-S567 PolarHBondContact O-N 3Å; T146-S567 WeakPolarHBondContact CA-O 3.47Å; C147-S567 PolarHBondContact N-O 3.38Å; V539-S567 WeakPolarHBondContact O-CA 3.4Å; V539-S567 WeakPolarHBondContact O-CB 3.36Å; V539-S567 PolarHBondContact O-OG 3.4Å; G542-S567 VanDerWaalsContact C-OG 3.28Å; G542-S567 WeakPolarHBondContact CA-OG 3.24Å; G542-S567 PolarHBondContact N-OG 3.08Å; I543-S567 PolarHBondContact N-OG 3.18Å; S567-H569 VanDerWaalsContact C-N 3.29Å; S567-H569 VanDerWaalsContact CB-O 3.31Å; S567-H569 WeakPolarHBondContact CB-O 3.33Å; S567-H569 PolarHBondContact OG-N 3.28Å; S567-H569 PolarHBondContact OG-O 2.76Å; S567-H569 VanDerWaalsContact OG-O 3.04Å
568S96.4Very high94Very high0 Ų031.2 Ų31.20%016%0.159CC..SBendtrans-61.7-36.2165.858.80000113.2T146 D148 N149T146-S568 PolarHBondContact OG1-O 3.22Å; T146-S568 VanDerWaalsContact OG1-O 3.11Å; D148-S568 PolarHBondContact N-O 3.15Å; N149-S568 PolarHBondContact N-O 3.28Å; N149-S568 WeakPolarHBondContact O-CB 3.34Å
569H96.9Very high94.6Very high15 Ų1531.9 Ų31.97%0.06916%0.161CC..SBendtrans-160.6168.9177.460.4-65.5000111T146 P150 G542 I543 S567 V571 D579T146-H569 WeakPolarHBondContact OG1-CA 3.34Å; P150-H569 HydrophobicContact CB-CB 4.43Å; P150-H569 HydrophobicContact CG-CB 4.15Å; G542-H569 WeakPolarHBondContact CA-O 3.35Å; I543-H569 PolarHBondContact N-O 3.24Å; I543-H569 VanDerWaalsContact N-O 3.15Å; S567-H569 VanDerWaalsContact C-N 3.29Å; S567-H569 VanDerWaalsContact CB-O 3.31Å; S567-H569 WeakPolarHBondContact CB-O 3.33Å; S567-H569 PolarHBondContact OG-N 3.28Å; S567-H569 PolarHBondContact OG-O 2.76Å; S567-H569 VanDerWaalsContact OG-O 3.04Å; H569-V571 VanDerWaalsContact CD2-CG1 3.41Å; H569-V571 WeakPolarHBondContact CD2-CG1 3.33Å; H569-V571 WeakPolarHBondContact NE2-CG1 3.15Å; H569-D579 IonicContact NE2-OD2 3.9Å
570I97.1Very high95.3Very high32 Ų3222.7 Ų22.716%0.16412%0.121CC..EExtended strand (participates in β ladder)trans-93.6139.3170.6-58.6171.3000107Q140 I543 Y545 M548Q140-I570 HydrophobicContact CB-CD1 4.17Å; Q140-I570 HydrophobicContact CG-CD1 3.98Å; I543-I570 HydrophobicContact CD1-CG1 4.43Å; I543-I570 HydrophobicContact CG1-CG1 4.19Å; I543-I570 CarbonylContact O-C 3.53Å; I543-I570 WeakPolarHBondContact O-CA 2.96Å; Y545-I570 HydrophobicContact CD1-CG2 4.44Å; Y545-I570 HydrophobicContact CD2-CG2 4.36Å; Y545-I570 HydrophobicContact CE1-CG2 3.93Å; Y545-I570 HydrophobicContact CE2-CG2 3.81Å; M548-I570 HydrophobicContact CE-CD1 4.14Å; M548-I570 HydrophobicContact SD-CD1 4Å; M548-I570 HydrophobicContact SD-CG1 4.21Å; M548-I570 HydrophobicContact SD-CG2 3.94Å
571V95.8Very high95.9Very high2 Ų220.9 Ų20.91%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-117.3139-178.5-66.90000111.7I543 H569 L576I543-V571 WeakPolarHBondContact O-CG2 3.46Å; I543-V571 PolarHBondContact O-N 2.85Å; H569-V571 VanDerWaalsContact CD2-CG1 3.41Å; H569-V571 WeakPolarHBondContact CD2-CG1 3.33Å; H569-V571 WeakPolarHBondContact NE2-CG1 3.15Å; V571-L576 HydrophobicContact CB-CB 4.33Å
572T96.9Very high96.1Very high15 Ų1521.7 Ų21.79%0.09211%0.114CC..  trans-92160.2157.560.40000110.4Y545 M574 E575 L576Y545-T572 HydrophobicContact CE2-CG2 4.04Å; T572-M574 VanDerWaalsContact C-N 3.25Å; T572-M574 PolarHBondContact O-N 3.01Å; T572-E575 PolarHBondContact N-OE2 3.34Å; T572-E575 PolarHBondContact O-N 3.46Å; T572-E575 WeakPolarHBondContact OG1-CB 3.36Å; T572-E575 WeakPolarHBondContact OG1-CG 3.33Å; T572-E575 PolarHBondContact OG1-N 3.06Å; T572-E575 PolarHBondContact OG1-OE2 2.88Å; T572-L576 PolarHBondContact O-N 3.01Å
573P96.4Very high96Very high13 Ų1320.2 Ų20.28%0.08411%0.107CC..Hα-helixtrans-55.6-38.7178.5-27.836.2000113.6P248 D261 L577P248-P573 WeakPolarHBondContact O-CA 3.29Å; P248-P573 WeakPolarHBondContact O-CG 3.25Å; D261-P573 HydrophobicContact CB-CG 4.48Å; P573-L577 VanDerWaalsContact O-CG 3.28Å; P573-L577 WeakPolarHBondContact O-CG 3.46Å; P573-L577 PolarHBondContact O-N 2.86Å
574M95.3Very high95.5Very high80 Ų8022 Ų2239%0.39412%0.119SC..Hα-helixtrans-69.2-48.2178.8-64.3-172.4-171.100111.9Y403 T572 L576 L577 D578Y403-M574 HydrophobicContact CD1-CB 4.45Å; Y403-M574 HydrophobicContact CD1-CG 4.24Å; Y403-M574 HydrophobicContact CE1-CB 4.46Å; Y403-M574 HydrophobicContact CG-CG 4.45Å; T572-M574 VanDerWaalsContact C-N 3.25Å; T572-M574 PolarHBondContact O-N 3.01Å; M574-L576 VanDerWaalsContact C-N 3.31Å; M574-L576 PolarHBondContact O-N 2.91Å; M574-L577 PolarHBondContact O-N 2.93Å; M574-L577 VanDerWaalsContact O-N 3.14Å; M574-D578 PolarHBondContact O-N 2.99Å
575E95.4Very high94.8Very high100 Ų10026 Ų2647%0.46714%0.137SC..Hα-helixtrans-59.4-41.7178.4-71.6165156.600111.7T572 L577 D578 D579T572-E575 PolarHBondContact N-OE2 3.34Å; T572-E575 PolarHBondContact O-N 3.46Å; T572-E575 WeakPolarHBondContact OG1-CB 3.36Å; T572-E575 WeakPolarHBondContact OG1-CG 3.33Å; T572-E575 PolarHBondContact OG1-N 3.06Å; T572-E575 PolarHBondContact OG1-OE2 2.88Å; E575-L577 PolarHBondContact O-N 3.27Å; E575-D578 PolarHBondContact O-N 3.15Å; E575-D579 WeakPolarHBondContact O-CB 3.45Å; E575-D579 PolarHBondContact O-N 3.31Å
576L96.8Very high93.3Very high0 Ų030.6 Ų30.60%017%0.166CC..Hα-helixtrans-62.6-42.4176.3177.762.6000111.9F153 P248 I249 W443 V571 T572 M574 D578 D579 I580F153-L576 HydrophobicContact CE2-CD1 3.96Å; F153-L576 HydrophobicContact CZ-CD1 4.01Å; P248-L576 HydrophobicContact CB-CD2 3.56Å; P248-L576 HydrophobicContact CG-CD2 3.6Å; I249-L576 HydrophobicContact CG2-CD2 4.32Å; W443-L576 HydrophobicContact CH2-CD2 4.02Å; V571-L576 HydrophobicContact CB-CB 4.33Å; T572-L576 PolarHBondContact O-N 3.01Å; M574-L576 VanDerWaalsContact C-N 3.31Å; M574-L576 PolarHBondContact O-N 2.91Å; L576-D578 VanDerWaalsContact C-N 3.35Å; L576-D579 PolarHBondContact O-N 3.31Å; L576-I580 HydrophobicContact CD1-CD1 3.91Å; L576-I580 HydrophobicContact CD1-CG1 4.16Å; L576-I580 HydrophobicContact CD2-CD1 4.5Å; L576-I580 HydrophobicContact CG-CD1 3.86Å; L576-I580 HydrophobicContact CG-CG1 4.46Å; L576-I580 WeakPolarHBondContact O-CB 3.26Å; L576-I580 WeakPolarHBondContact O-CG1 3.32Å; L576-I580 PolarHBondContact O-N 3.41Å
577L96.9Very high91.5Very high0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-65.1-40.6178.6-73.5174.2000111.5Y403 I406 R407 L410 F439 W443 P573 M574 E575 I580 Q581Y403-L577 HydrophobicContact CD1-CB 4.15Å; Y403-L577 HydrophobicContact CD1-CD1 3.75Å; Y403-L577 HydrophobicContact CE1-CB 4.11Å; I406-L577 HydrophobicContact CG2-CD1 4.17Å; I406-L577 HydrophobicContact CG2-CD2 3.95Å; R407-L577 HydrophobicContact CG-CD1 3.92Å; L410-L577 HydrophobicContact CD1-CD2 3.6Å; F439-L577 HydrophobicContact CD1-CB 3.98Å; F439-L577 VanDerWaalsContact CD1-O 3.27Å; F439-L577 WeakPolarHBondContact CD1-O 3.27Å; F439-L577 HydrophobicContact CE1-CB 4.08Å; F439-L577 WeakPolarHBondContact CE1-O 3.32Å; W443-L577 HydrophobicContact CZ2-CD2 4.29Å; P573-L577 VanDerWaalsContact O-CG 3.28Å; P573-L577 WeakPolarHBondContact O-CG 3.46Å; P573-L577 PolarHBondContact O-N 2.86Å; M574-L577 PolarHBondContact O-N 2.93Å; M574-L577 VanDerWaalsContact O-N 3.14Å; E575-L577 PolarHBondContact O-N 3.27Å; L577-I580 PolarHBondContact O-N 3.45Å; L577-Q581 WeakPolarHBondContact O-CB 3.28Å; L577-Q581 PolarHBondContact O-N 3.02Å
578D95.8Very high88.8Confident66 Ų6640.8 Ų40.835%0.35323%0.229SC..Hα-helixtrans-63.2-44.6175.4-68.8-16.4000111.4Y403 M574 E575 L576 I580 Q581 A582Y403-D578 WeakPolarHBondContact CE1-OD1 3.37Å; Y403-D578 PolarHBondContact OH-OD1 3.26Å; M574-D578 PolarHBondContact O-N 2.99Å; E575-D578 PolarHBondContact O-N 3.15Å; L576-D578 VanDerWaalsContact C-N 3.35Å; D578-I580 VanDerWaalsContact C-N 3.35Å; D578-I580 PolarHBondContact O-N 3.38Å; D578-Q581 PolarHBondContact O-N 3.5Å; D578-A582 WeakPolarHBondContact O-CB 3.46Å; D578-A582 PolarHBondContact O-N 3.37Å
579D95Very high86Confident50 Ų5047 Ų4727%0.26727%0.267SS..Hα-helixtrans-61.9-41.5176.4-83.7-16.2000111.9F153 H569 E575 L576 A582 L583F153-D579 HydrophobicContact CD1-CB 3.7Å; F153-D579 HydrophobicContact CE1-CB 3.85Å; F153-D579 HydrophobicContact CG-CB 4.38Å; H569-D579 IonicContact NE2-OD2 3.9Å; E575-D579 WeakPolarHBondContact O-CB 3.45Å; E575-D579 PolarHBondContact O-N 3.31Å; L576-D579 PolarHBondContact O-N 3.31Å; D579-A582 PolarHBondContact O-N 3.48Å; D579-L583 PolarHBondContact O-N 2.98Å
580I95.4Very high83.1Confident0 Ų055.5 Ų55.50%030%0.304CS..Hα-helixtrans-64.7-45.4176.4-73.1173.7000110.8F153 N442 W443 L576 L577 D578 A582 L583F153-I580 HydrophobicContact CE1-CG1 3.98Å; F153-I580 HydrophobicContact CZ-CG1 3.69Å; N442-I580 HydrophobicContact CB-CG2 3.77Å; N442-I580 WeakPolarHBondContact CB-O 3.39Å; N442-I580 PolarHBondContact ND2-O 2.93Å; W443-I580 HydrophobicContact CD2-CD1 3.66Å; W443-I580 HydrophobicContact CE3-CD1 4.06Å; W443-I580 HydrophobicContact CG-CD1 4.29Å; W443-I580 HydrophobicContact CG-CG2 4.35Å; W443-I580 HydrophobicContact CH2-CD1 3.74Å; W443-I580 HydrophobicContact CZ2-CD1 3.27Å; W443-I580 HydrophobicContact CZ3-CD1 4.09Å; L576-I580 HydrophobicContact CD1-CD1 3.91Å; L576-I580 HydrophobicContact CD1-CG1 4.16Å; L576-I580 HydrophobicContact CD2-CD1 4.5Å; L576-I580 HydrophobicContact CG-CD1 3.86Å; L576-I580 HydrophobicContact CG-CG1 4.46Å; L576-I580 WeakPolarHBondContact O-CB 3.26Å; L576-I580 WeakPolarHBondContact O-CG1 3.32Å; L576-I580 PolarHBondContact O-N 3.41Å; L577-I580 PolarHBondContact O-N 3.45Å; D578-I580 VanDerWaalsContact C-N 3.35Å; D578-I580 PolarHBondContact O-N 3.38Å; I580-A582 PolarHBondContact O-N 3.27Å; I580-L583 WeakPolarHBondContact O-CB 3.37Å; I580-L583 PolarHBondContact O-N 3.3Å
581Q94.6Very high79.9Confident23 Ų2362 Ų6211%0.10733%0.333CS..Hα-helixtrans-59-35.2176.9-164.2-151.925.800111.5D436 E438 F439 N442 L577 D578 L583 K585D436-Q581 PolarHBondContact OD1-NE2 3.18Å; E438-Q581 HydrophobicContact CB-CG 3.96Å; F439-Q581 HydrophobicContact CD1-CB 3.71Å; F439-Q581 HydrophobicContact CD1-CG 4.07Å; F439-Q581 HydrophobicContact CD2-CG 3.99Å; F439-Q581 HydrophobicContact CE1-CB 3.64Å; F439-Q581 HydrophobicContact CE1-CG 3.99Å; F439-Q581 HydrophobicContact CE2-CB 4.47Å; F439-Q581 VanDerWaalsContact CE2-CD 3.48Å; F439-Q581 HydrophobicContact CE2-CG 3.9Å; F439-Q581 HydrophobicContact CG-CB 4.15Å; F439-Q581 HydrophobicContact CG-CG 4.05Å; F439-Q581 HydrophobicContact CZ-CB 4.04Å; F439-Q581 VanDerWaalsContact CZ-CD 3.4Å; F439-Q581 HydrophobicContact CZ-CG 3.89Å; N442-Q581 PolarHBondContact ND2-O 2.86Å; L577-Q581 WeakPolarHBondContact O-CB 3.28Å; L577-Q581 PolarHBondContact O-N 3.02Å; D578-Q581 PolarHBondContact O-N 3.5Å; Q581-L583 PolarHBondContact O-N 3.33Å; Q581-K585 VanDerWaalsContact CD-NZ 3.31Å
582A92.6Very high76.5Confident26 Ų2667.8 Ų67.822%0.21537%0.369CS..Hα-helixtrans-77.1-12.8-17800000114.9D578 D579 I580 S584 K585D578-A582 WeakPolarHBondContact O-CB 3.46Å; D578-A582 PolarHBondContact O-N 3.37Å; D579-A582 PolarHBondContact O-N 3.48Å; I580-A582 PolarHBondContact O-N 3.27Å; A582-S584 PolarHBondContact O-N 3.41Å; A582-K585 PolarHBondContact O-N 3.09Å
583L91Very high73.4Confident0 Ų076.4 Ų76.40%041%0.405CS..THydrogen-bonded Turntrans-60-39.3-175.2-72.1180000114.2F153 R154 S158 N442 E445 L446 D579 I580 Q581F153-L583 HydrophobicContact CD1-CD2 3.83Å; F153-L583 HydrophobicContact CD1-CG 4.44Å; F153-L583 HydrophobicContact CE1-CD1 3.84Å; F153-L583 HydrophobicContact CE1-CD2 3.75Å; F153-L583 HydrophobicContact CE1-CG 3.9Å; F153-L583 HydrophobicContact CZ-CD1 4.36Å; R154-L583 HydrophobicContact CB-CD2 4.44Å; R154-L583 HydrophobicContact CG-CD2 4.48Å; S158-L583 PolarHBondContact OG-O 2.84Å; N442-L583 HydrophobicContact CB-CB 4.3Å; N442-L583 HydrophobicContact CB-CD1 4.34Å; E445-L583 HydrophobicContact CB-CD1 4.2Å; L446-L583 HydrophobicContact CD1-CD1 3.75Å; D579-L583 PolarHBondContact O-N 2.98Å; I580-L583 WeakPolarHBondContact O-CB 3.37Å; I580-L583 PolarHBondContact O-N 3.3Å; Q581-L583 PolarHBondContact O-N 3.33Å
584S84.9Confident69.9Low38 Ų3881.9 Ų81.927%0.26644%0.439SS..SBendtrans-85.8-17.2-178.257.10000113.4E438 N442 A582E438-S584 WeakPolarHBondContact CG-OG 3.17Å; N442-S584 PolarHBondContact ND2-N 3.47Å; N442-S584 PolarHBondContact ND2-OG 3.03Å; A582-S584 PolarHBondContact O-N 3.41Å
585K81.9Confident66.7Low86 Ų8684.9 Ų84.937%0.37446%0.455SS..SBendtrans-70.2131.6-179.8-64.1-179.7-177172.60108.8R154 Q581 A582R154-K585 PolarHBondContact NH2-O 2.87Å; Q581-K585 VanDerWaalsContact CD-NZ 3.31Å; A582-K585 PolarHBondContact O-N 3.09Å
586P68.3Low63.3Low96 Ų9686.3 Ų86.362%0.62347%0.47SS*.  trans-62.6145.8173.224.5-30.8000109.6R154 T588R154-P586 PolarHBondContact NH2-O 3.01Å; P586-T588 VanDerWaalsContact C-N 3.28Å; P586-T588 PolarHBondContact O-N 3.11Å
587T58.8Low59.9Low92 Ų9295.1 Ų95.156%0.56451%0.509SS*.  trans-67.589.3172.58.80000108.1T589T587-T589 PolarHBondContact O-N 3.28Å
588T42.3Very low56.7Low123 Ų123107.9 Ų107.976%0.75557%0.568SS**  trans-60114.4165.4-17.10000106.2P586 K590P586-T588 VanDerWaalsContact C-N 3.28Å; P586-T588 PolarHBondContact O-N 3.11Å; T588-K590 PolarHBondContact O-N 3Å
589T37.8Very low54.7Low131 Ų131110 Ų11080%0.80458%0.579SS**SBendtrans-40.8125.3177.732.80000112.2T587T587-T589 PolarHBondContact O-N 3.28Å
590K36Very low52.6Low192 Ų192113.1 Ų113.184%0.83560%0.595SS**  trans68.681.1171.9-56.8178179.4176.40115.1T588 T592T588-K590 PolarHBondContact O-N 3Å; K590-T592 PolarHBondContact O-N 3.27Å
591E29.1Very low50.2Low169 Ų169119.4 Ų119.479%0.7963%0.628SS**  trans-63.896.7142.6-77.2179.4179.500107.5F593E591-F593 PolarHBondContact O-N 3.49Å; E591-F593 VanDerWaalsContact O-N 3.07Å
592T26.1Very low47.6Very low123 Ų123125.1 Ų125.176%0.75566%0.659SS**  trans-50.4111.5152.522.60000107.1K590 T594K590-T592 PolarHBondContact O-N 3.27Å; T592-T594 PolarHBondContact O-N 3.29Å
593F31.3Very low44.8Very low196 Ų196131.3 Ų131.386%0.8669%0.687SS**  trans-42.2111.3158.2-71.6-90.5000107.6E591 I595E591-F593 PolarHBondContact O-N 3.49Å; E591-F593 VanDerWaalsContact O-N 3.07Å; F593-I595 PolarHBondContact O-N 3.33Å
594T23.1Very low41.7Very low129 Ų129140 Ų14079%0.79173%0.732SS**  trans-65.493.3168-16.50000105.4T592 V596T592-T594 PolarHBondContact O-N 3.29Å; T594-V596 PolarHBondContact O-N 2.96Å
595I27.2Very low38.7Very low143 Ų143147.3 Ų147.373%0.73377%0.766SS**  trans-59.1101.1156.2-60.4173.2000103.3F593 K597F593-I595 PolarHBondContact O-N 3.33Å; I595-K597 PolarHBondContact O-N 2.68Å
596V25.4Very low35.3Very low129 Ų129152 Ų15278%0.78280%0.796SS**  trans-58.5101160.9-179.30000103.9T594 E598T594-V596 PolarHBondContact O-N 2.96Å; V596-E598 PolarHBondContact O-N 3.21Å
597K24.2Very low32.6Very low186 Ų186156.7 Ų156.781%0.80981%0.81SS**  trans-59.4135.2164.6-80.4-177.2173.7-179.50106.5I595I595-K597 PolarHBondContact O-N 2.68Å
598E29.8Very low30.2Very low267 Ų267162.5 Ų162.5100%1.24883%0.833SS**  trans-34.60178-66.9174.915200114.9V596V596-E598 PolarHBondContact O-N 3.21Å

Retrieved 598 of 598 residues in 4292.7 ms (Link to these results)

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