A0A077ZJA3_TRITR Loading...

3 ketoacyl coenzyme A thiolase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZJA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 407 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
1M43.9Very low51.4Low242 Ų242144.8 Ų144.8100%1.19277%0.77SS**  0104.70-70.3175.5-172.700107.1C3M1-C3 PolarHBondContact O-N 3.37Å
2S49.4Very low51.6Low116 Ų116133.7 Ų133.781%0.81171%0.712SS**  trans-65.5119.4169.6590000106.9I4S2-I4 PolarHBondContact O-N 3.28Å
3C46.7Very low52.3Low123 Ų123127.9 Ų127.983%0.83168%0.675SS**  trans-49.8112.2167.5-103.50000107.3M1 Q5M1-C3 PolarHBondContact O-N 3.37Å; C3-Q5 VanDerWaalsContact C-N 3.28Å; C3-Q5 PolarHBondContact O-N 3.02Å
4I50.3Low53.5Low149 Ų149126.6 Ų126.676%0.76467%0.668SS**  trans-60.5104.7162.9-64.4171.6000103.4S2 T6S2-I4 PolarHBondContact O-N 3.28Å; I4-T6 PolarHBondContact O-N 3.37Å
5Q48.3Very low55.2Low175 Ų175120.9 Ų120.982%0.81864%0.638SS**  trans-53.9109.9167.7-78.2-176.8-21.900105.6C3 K7C3-Q5 VanDerWaalsContact C-N 3.28Å; C3-Q5 PolarHBondContact O-N 3.02Å; Q5-K7 PolarHBondContact O-N 3.29Å
6T49Very low57.6Low124 Ų124113.6 Ų113.676%0.76160%0.601SS**  trans-60.695171.946.40000106.3I4 T8I4-T6 PolarHBondContact O-N 3.37Å; T6-T8 VanDerWaalsContact C-N 3.31Å; T6-T8 PolarHBondContact O-N 2.85Å
7K54.8Low60Low183 Ų183106.9 Ų106.980%0.79657%0.565SS**  trans-60.4104.1162.7-78.7-175.1175-176.60105.2Q5 F9Q5-K7 PolarHBondContact O-N 3.29Å; K7-F9 PolarHBondContact O-N 3.37Å
8T56Low62.1Low125 Ų125102.3 Ų102.377%0.76754%0.54SS*.PPolyproline II helixtrans-60.2117.5165.444.80000106.4T6 P10T6-T8 VanDerWaalsContact C-N 3.31Å; T6-T8 PolarHBondContact O-N 2.85Å; T8-P10 WeakPolarHBondContact O-CD 3.38Å
9F52.7Low64Low158 Ų15896.9 Ų96.969%0.69351%0.511SS*.PPolyproline II helixtrans-66.3123.9173.9-74.2-87.9000108K7K7-F9 PolarHBondContact O-N 3.37Å
10P55.3Low65.7Low62 Ų6292.4 Ų92.440%0.40349%0.488SS..PPolyproline II helixtrans-55.6146.8175.813.5-22.5000111T8 D14T8-P10 WeakPolarHBondContact O-CD 3.38Å; P10-D14 HydrophobicContact CB-CB 3.54Å
11H59Low67.3Low136 Ų13688 Ų8863%0.6347%0.465SS*.PPolyproline II helixtrans-64.6159.4164.6-71.9-59.8000109.1Y13 D14 L15H11-Y13 HydrophobicContact CB-CD2 4.08Å; H11-Y13 PolarHBondContact O-N 3.46Å; H11-D14 PolarHBondContact N-OD2 3.41Å; H11-D14 WeakPolarHBondContact O-CB 3.21Å; H11-D14 PolarHBondContact O-N 3.39Å; H11-L15 PolarHBondContact O-N 3.45Å
12C53.6Low69.9Low11 Ų1176.5 Ų76.57%0.07441%0.408CS..THydrogen-bonded Turntrans-54.6-20.2175.765.10000113.9L117 W291C12-L117 HydrophobicContact CB-CD1 3.93Å; C12-W291 HydrophobicContact CB-CH2 3.61Å; C12-W291 HydrophobicContact CB-CZ3 3.71Å
13Y60.7Low72.3Confident59 Ų5972.1 Ų72.123%0.23137%0.374CS..THydrogen-bonded Turntrans-75.1-26.2175.8-54.3-59.3000114.2H11 R287 V289 A290 K315 V316H11-Y13 HydrophobicContact CB-CD2 4.08Å; H11-Y13 PolarHBondContact O-N 3.46Å; Y13-R287 PolarHBondContact O-NH1 3.48Å; Y13-V289 HydrophobicContact CD1-CG1 4.02Å; Y13-V289 WeakPolarHBondContact CD1-O 3.45Å; Y13-V289 HydrophobicContact CE1-CG1 4.13Å; Y13-V289 WeakPolarHBondContact CE1-O 3.42Å; Y13-A290 HydrophobicContact CD1-CB 4.37Å; Y13-A290 HydrophobicContact CE1-CB 3.24Å; Y13-A290 VanDerWaalsContact OH-CB 3.31Å; Y13-A290 WeakPolarHBondContact OH-CB 3.26Å; Y13-K315 HydrophobicContact CE2-CG 4.43Å; Y13-K315 WeakPolarHBondContact OH-CD 3.34Å; Y13-K315 WeakPolarHBondContact OH-CE 3.18Å; Y13-K315 WeakPolarHBondContact OH-CG 3.46Å; Y13-K315 PolarHBondContact OH-O 2.97Å; Y13-V316 HydrophobicContact CD1-CG1 4.24Å; Y13-V316 HydrophobicContact CE1-CG1 3.26Å; Y13-V316 WeakPolarHBondContact OH-CG1 3.35Å
14D69.5Low74.8Confident109 Ų10966.3 Ų66.358%0.58334%0.335SS*.THydrogen-bonded Turntrans-89.7-30.3-173.4-54.1-36.8000111.4P10 H11P10-D14 HydrophobicContact CB-CB 3.54Å; H11-D14 PolarHBondContact N-OD2 3.41Å; H11-D14 WeakPolarHBondContact O-CB 3.21Å; H11-D14 PolarHBondContact O-N 3.39Å
15L78.6Confident77.1Confident41 Ų4159.2 Ų59.222%0.21530%0.298CS..SBendtrans-90.4119.7172-172.870.3000109.6H11 I17 F116 L117 T273H11-L15 PolarHBondContact O-N 3.45Å; L15-I17 HydrophobicContact CD2-CG1 4.34Å; L15-I17 HydrophobicContact CG-CG1 4.45Å; L15-I17 PolarHBondContact O-N 3.36Å; L15-I17 VanDerWaalsContact O-N 3.12Å; L15-F116 HydrophobicContact CD2-CB 4.36Å; L15-L117 HydrophobicContact CB-CD2 4.07Å; L15-L117 HydrophobicContact CD2-CD2 3.92Å; L15-T273 HydrophobicContact CD2-CG2 4.35Å
16G93.5Very high79.5Confident4 Ų450.9 Ų50.94%0.04126%0.259CS..  trans-64.1112.8171.200000111.1T273 E274G16-T273 CarbonylContact O-C 3.57Å; G16-T273 WeakPolarHBondContact O-CA 3.33Å; G16-E274 PolarHBondContact O-N 2.9Å
17I97.8Very high81.8Confident0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-111.8119.2173.2-60.1176.7000108.1L15 A113 F116 L117 M271 R287 L288L15-I17 HydrophobicContact CD2-CG1 4.34Å; L15-I17 HydrophobicContact CG-CG1 4.45Å; L15-I17 PolarHBondContact O-N 3.36Å; L15-I17 VanDerWaalsContact O-N 3.12Å; I17-A113 HydrophobicContact CD1-CB 3.79Å; I17-A113 HydrophobicContact CG2-CB 4.47Å; I17-F116 HydrophobicContact CG1-CD2 4.29Å; I17-F116 HydrophobicContact CG2-CD2 3.92Å; I17-F116 HydrophobicContact CG2-CE2 4.18Å; I17-L117 HydrophobicContact CD1-CD2 4.45Å; I17-L117 HydrophobicContact CD1-CG 4.29Å; I17-M271 HydrophobicContact CG2-CE 3.53Å; I17-R287 CarbonylContact O-C 3.57Å; I17-R287 WeakPolarHBondContact O-CA 3.32Å; I17-R287 WeakPolarHBondContact O-CG 3.42Å; I17-L288 HydrophobicContact CB-CB 4.44Å; I17-L288 HydrophobicContact CG2-CB 4.23Å; I17-L288 HydrophobicContact CG2-CD2 4.35Å; I17-L288 PolarHBondContact O-N 2.98Å
18F98.4Very high83.9Confident24 Ų2436.2 Ų36.211%0.10519%0.185CC..EExtended strand (participates in β ladder)trans-118.6143.7-171.4-61.1-84.7000112M271 A272 E274 V277 P284 A286 R287 V405F18-M271 CarbonylContact O-C 3.43Å; F18-M271 WeakPolarHBondContact O-CA 3.43Å; F18-A272 PolarHBondContact N-O 2.81Å; F18-A272 PolarHBondContact O-N 3.15Å; F18-E274 HydrophobicContact CD2-CB 4.47Å; F18-E274 HydrophobicContact CE2-CB 3.74Å; F18-E274 HydrophobicContact CE2-CG 3.82Å; F18-E274 HydrophobicContact CZ-CG 4.42Å; F18-V277 HydrophobicContact CB-CG2 4.03Å; F18-V277 HydrophobicContact CD2-CG2 3.92Å; F18-V277 HydrophobicContact CG-CG2 4.2Å; F18-P284 HydrophobicContact CB-CB 3.84Å; F18-P284 HydrophobicContact CD1-CB 3.73Å; F18-P284 HydrophobicContact CD1-CG 4.37Å; F18-P284 HydrophobicContact CG-CB 3.95Å; F18-A286 CarbonylContact C-O 3.52Å; F18-A286 WeakPolarHBondContact CA-O 3.39Å; F18-R287 HydrophobicContact CD1-CB 3.87Å; F18-R287 HydrophobicContact CD1-CG 4.15Å; F18-R287 HydrophobicContact CE1-CB 3.76Å; F18-R287 HydrophobicContact CE1-CG 3.85Å; F18-R287 HydrophobicContact CZ-CG 4.29Å; F18-V405 HydrophobicContact CD1-CG1 3.91Å; F18-V405 HydrophobicContact CE1-CG1 3.71Å
19I98.7Very high85.9Confident0 Ų032.4 Ų32.40%016%0.162CC..EExtended strand (participates in β ladder)trans-90.2123.1162.6-65.1167.9000107A21 A22 V269 V270 M271 M285 A286 I371 V375 L402I19-A21 WeakPolarHBondContact CG2-O 3.4Å; I19-A22 HydrophobicContact CG2-CB 4.32Å; I19-V269 HydrophobicContact CG2-CB 4.08Å; I19-V269 HydrophobicContact CG2-CG1 4.33Å; I19-V270 WeakPolarHBondContact CA-O 3.29Å; I19-M271 HydrophobicContact CG1-CG 4.29Å; I19-M285 PolarHBondContact O-N 3.35Å; I19-A286 PolarHBondContact N-O 3.12Å; I19-A286 PolarHBondContact O-N 3.26Å; I19-I371 HydrophobicContact CD1-CG2 3.44Å; I19-I371 VanDerWaalsContact CD1-CG2 3.44Å; I19-V375 HydrophobicContact CB-CG1 4.41Å; I19-V375 HydrophobicContact CD1-CG1 3.85Å; I19-V375 HydrophobicContact CG2-CG1 4.26Å; I19-L402 HydrophobicContact CD1-CD2 3.93Å
20V98.6Very high88.1Confident7 Ų730.8 Ų30.84%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-108.1-14.9-177.1-64.10000113.3V270 A272 V277 L282 P284V20-V270 HydrophobicContact CG2-CB 3.79Å; V20-V270 HydrophobicContact CG2-CG1 3.56Å; V20-V270 WeakPolarHBondContact CG2-O 3.29Å; V20-V270 PolarHBondContact N-O 2.75Å; V20-A272 HydrophobicContact CG1-CB 4.23Å; V20-V277 HydrophobicContact CG1-CG2 4.06Å; V20-L282 HydrophobicContact CB-CB 4.46Å; V20-L282 HydrophobicContact CG1-CB 3.95Å; V20-L282 HydrophobicContact CG1-CD1 4.1Å; V20-L282 HydrophobicContact CG2-CD1 4.37Å; V20-P284 HydrophobicContact CG1-CB 4.48Å
21A98.7Very high90.1Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-157.3153.4168.800000110.1I19 A50 E53 V269 V270I19-A21 WeakPolarHBondContact CG2-O 3.4Å; A21-A50 HydrophobicContact CB-CB 4.36Å; A21-A50 WeakPolarHBondContact CB-O 3.37Å; A21-E53 HydrophobicContact CB-CB 3.99Å; A21-E53 HydrophobicContact CB-CG 4.04Å; A21-V269 CarbonylContact O-C 3.57Å; A21-V269 VanDerWaalsContact O-CA 3.25Å; A21-V269 WeakPolarHBondContact O-CA 3.17Å; A21-V270 HydrophobicContact CB-CB 4.43Å; A21-V270 PolarHBondContact O-N 2.72Å
22A98.8Very high91.9Very high0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans-150.8123.3179.200000112.2I19 E53 A268 V269 M285 A372 V375 H376I19-A22 HydrophobicContact CG2-CB 4.32Å; A22-E53 PolarHBondContact N-OE2 3.37Å; A22-A268 WeakPolarHBondContact CA-O 3.11Å; A22-V269 HydrophobicContact CB-CG1 3.7Å; A22-M285 HydrophobicContact CB-SD 4.47Å; A22-A372 HydrophobicContact CB-CB 3.83Å; A22-V375 HydrophobicContact CB-CG2 3.51Å; A22-H376 PolarHBondContact O-NE2 3.47Å
23K98.9Very high94Very high25 Ų2526.7 Ų26.711%0.10914%0.142CC..EExtended strand (participates in β ladder)trans-134.7153.1-174.4-67.6-59.8-177.6-1660111.8A49 A50 E53 N211 E212 V214 A267 A268K23-A49 HydrophobicContact CB-CB 4.37Å; K23-A49 HydrophobicContact CG-CB 3.94Å; K23-A50 HydrophobicContact CB-CB 4.2Å; K23-A50 HydrophobicContact CG-CB 4.05Å; K23-E53 WeakPolarHBondContact CE-OE1 3.28Å; K23-E53 WeakPolarHBondContact CE-OE2 3.35Å; K23-E53 IonicContact NZ-OE1 3.42Å; K23-E53 PolarHBondContact NZ-OE1 2.81Å; K23-E53 IonicContact NZ-OE2 3.92Å; K23-E53 PolarHBondContact NZ-OE2 3.29Å; K23-N211 PolarHBondContact NZ-O 2.9Å; K23-E212 CarbonylContact C-O 3.55Å; K23-E212 WeakPolarHBondContact CA-O 3.44Å; K23-V214 HydrophobicContact CB-CG2 3.65Å; K23-V214 HydrophobicContact CD-CG2 3.83Å; K23-V214 HydrophobicContact CG-CG2 3.9Å; K23-A267 CarbonylContact O-C 3.53Å; K23-A267 VanDerWaalsContact O-CA 3.25Å; K23-A267 WeakPolarHBondContact O-CA 3.26Å; K23-A268 PolarHBondContact N-O 3.21Å; K23-A268 PolarHBondContact O-N 3.4Å; K23-A268 VanDerWaalsContact O-O 3.09Å
24R98.8Very high95.8Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-143.6162.5173.467.7173.4-171.895.1-13.9111.2E212 I213 V214 D230 A266 A267 R369R24-E212 HydrophobicContact CG-CB 4.32Å; R24-E212 HydrophobicContact CG-CG 4.32Å; R24-E212 WeakPolarHBondContact CG-O 3.15Å; R24-E212 IonicContact CZ-OE1 2.94Å; R24-E212 PolarHBondContact N-O 2.8Å; R24-E212 IonicContact NE-OE1 3Å; R24-E212 PolarHBondContact NE-OE1 2.83Å; R24-E212 IonicContact NH2-OE1 2.89Å; R24-E212 PolarHBondContact NH2-OE1 3.36Å; R24-I213 HydrophobicContact CG-CG1 4.28Å; R24-I213 CarbonylContact O-C 3.5Å; R24-I213 WeakPolarHBondContact O-CA 3.32Å; R24-V214 PolarHBondContact O-N 3.36Å; R24-D230 IonicContact CZ-OD1 2.74Å; R24-D230 IonicContact CZ-OD2 3.16Å; R24-D230 IonicContact NH1-OD1 3.47Å; R24-D230 PolarHBondContact NH1-OD1 3.35Å; R24-D230 IonicContact NH1-OD2 2.8Å; R24-D230 PolarHBondContact NH1-OD2 2.91Å; R24-D230 IonicContact NH2-OD1 3.64Å; R24-D230 IonicContact NH2-OD2 2.68Å; R24-D230 PolarHBondContact NH2-OD2 2.87Å; R24-A266 CarbonylContact C-O 3.49Å; R24-A266 VanDerWaalsContact CA-O 3.22Å; R24-A266 WeakPolarHBondContact CA-O 3.41Å; R24-A266 WeakPolarHBondContact CB-O 3.42Å; R24-A267 HydrophobicContact CB-CB 3.8Å; R24-R369 VanDerWaalsContact CD-CG 3.42Å
25T98.9Very high97.1Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-77.1160.8161.567.20000109.3M42 V46 I216 G265 A266T25-M42 HydrophobicContact CG2-CB 4.18Å; T25-M42 HydrophobicContact CG2-CG 4.49Å; T25-V46 HydrophobicContact CG2-CG1 3.59Å; T25-I216 HydrophobicContact CG2-CD1 3.82Å; T25-I216 HydrophobicContact CG2-CG1 3.65Å; T25-G265 VanDerWaalsContact OG1-CA 3.3Å; T25-G265 WeakPolarHBondContact OG1-CA 3.47Å; T25-A266 HydrophobicContact CG2-CB 4.21Å; T25-A266 PolarHBondContact N-O 3.18Å; T25-A266 PolarHBondContact OG1-N 2.88Å
26A98.7Very high97.9Very high0 Ų027.4 Ų27.40%015%0.145CC..PPolyproline II helixtrans-56.1144.5148.900000109.1I213 F227 T229 D230A26-I213 HydrophobicContact CB-CG2 4.31Å; A26-F227 HydrophobicContact CB-CD1 3.96Å; A26-F227 HydrophobicContact CB-CE1 3.55Å; A26-F227 HydrophobicContact CB-CE2 4.4Å; A26-F227 HydrophobicContact CB-CZ 3.79Å; A26-F227 WeakPolarHBondContact O-CE1 3.29Å; A26-T229 WeakPolarHBondContact CB-O 3.48Å; A26-D230 WeakPolarHBondContact CA-OD1 3.46Å
27F98.8Very high98.1Very high0 Ų027.9 Ų27.90%015%0.147CC..PPolyproline II helixtrans-88.7127.8176.6-75.61.8000110.3D230 E231 D264 I359 P362 A365 R369F27-D230 PolarHBondContact N-OD1 2.93Å; F27-E231 PolarHBondContact O-N 3.49Å; F27-D264 CarbonylContact C-O 3.52Å; F27-D264 WeakPolarHBondContact CA-O 3.37Å; F27-I359 WeakPolarHBondContact CB-O 3.46Å; F27-I359 HydrophobicContact CD2-CG2 3.73Å; F27-I359 HydrophobicContact CE2-CG2 4.24Å; F27-I359 HydrophobicContact CG-CG2 4.37Å; F27-P362 HydrophobicContact CD1-CG 4.08Å; F27-P362 HydrophobicContact CD2-CG 3.59Å; F27-P362 HydrophobicContact CE1-CG 3.74Å; F27-P362 HydrophobicContact CE2-CG 3.23Å; F27-P362 HydrophobicContact CG-CG 4Å; F27-P362 HydrophobicContact CZ-CG 3.27Å; F27-A365 HydrophobicContact CZ-CB 4.33Å; F27-R369 HydrophobicContact CE1-CB 4.32Å; F27-R369 HydrophobicContact CE1-CG 4.08Å; F27-R369 HydrophobicContact CE2-CB 4.18Å; F27-R369 HydrophobicContact CE2-CG 3.82Å; F27-R369 HydrophobicContact CZ-CB 3.53Å; F27-R369 HydrophobicContact CZ-CG 3.44Å; F27-R369 VanDerWaalsContact CZ-CG 3.44Å
28G98.5Very high98.1Very high0 Ų029.6 Ų29.60%016%0.157CC..EExtended strand (participates in β ladder)trans-82.5153.1175.700000111.3E231 N263 D264G28-E231 WeakPolarHBondContact CA-OE2 3.47Å; G28-N263 VanDerWaalsContact O-CA 3.27Å; G28-N263 WeakPolarHBondContact O-CA 3.5Å; G28-N263 VanDerWaalsContact O-CB 3.31Å; G28-N263 WeakPolarHBondContact O-CB 3.29Å; G28-N263 PolarHBondContact O-ND2 2.83Å; G28-D264 PolarHBondContact N-O 3.18Å; G28-D264 PolarHBondContact O-N 3.21Å; G28-D264 VanDerWaalsContact O-N 3.15Å
29T98.5Very high98.1Very high45 Ų4528.4 Ų28.428%0.27615%0.152SC..EExtended strand (participates in β ladder)trans-85.9159.2169-161.60000110.5G31 G32 E231 H232T29-G31 PolarHBondContact O-N 3.33Å; T29-G32 WeakPolarHBondContact O-CA 3.31Å; T29-G32 PolarHBondContact O-N 2.94Å; T29-E231 HydrophobicContact CG2-CG 4Å; T29-E231 PolarHBondContact N-OE2 2.91Å; T29-H232 PolarHBondContact OG1-ND1 2.9Å
30Y98.1Very high98.1Very high124 Ų12428.7 Ų28.749%0.48615%0.154SC..THydrogen-bonded Turntrans-52.9122.8176.6-174-113.1000112.2G32 T133 L158 V262Y30-G32 PolarHBondContact O-N 3.41Å; Y30-T133 WeakPolarHBondContact CA-OG1 3.38Å; Y30-L158 HydrophobicContact CD2-CD2 4.5Å; Y30-L158 HydrophobicContact CE2-CD2 3.79Å; Y30-V262 WeakPolarHBondContact CB-O 3.48Å; Y30-V262 HydrophobicContact CD2-CB 4.18Å; Y30-V262 HydrophobicContact CD2-CG1 3.4Å; Y30-V262 HydrophobicContact CE2-CG1 4.1Å; Y30-V262 HydrophobicContact CG-CB 4.27Å; Y30-V262 HydrophobicContact CG-CG1 3.97Å; Y30-V262 PolarHBondContact N-O 3.36Å
31G97.7Very high98.1Very high39 Ų3933.3 Ų33.340%0.40218%0.175SC..THydrogen-bonded Turntrans74.18.6-176.400000115.3T29 K35 T133T29-G31 PolarHBondContact O-N 3.33Å; G31-K35 WeakPolarHBondContact O-CD 3.43Å; G31-T133 PolarHBondContact N-OG1 3.47Å
32G97.2Very high98.1Very high13 Ų1333.3 Ų33.313%0.13418%0.175CC..SBendtrans-84-148.7-176.300000114.7T29 Y30 L34 K35 E231T29-G32 WeakPolarHBondContact O-CA 3.31Å; T29-G32 PolarHBondContact O-N 2.94Å; Y30-G32 PolarHBondContact O-N 3.41Å; G32-L34 VanDerWaalsContact C-N 3.27Å; G32-L34 PolarHBondContact O-N 3.02Å; G32-K35 WeakPolarHBondContact O-CB 3.34Å; G32-K35 WeakPolarHBondContact O-CG 3.2Å; G32-K35 PolarHBondContact O-N 2.78Å; G32-E231 WeakPolarHBondContact CA-OE2 3.32Å
33M97.2Very high98.1Very high71 Ų7133.3 Ų33.335%0.3518%0.175SC..THydrogen-bonded Turntrans-62.4-30-172.7-74.8-175.669.800114V218 V225 F227 E231M33-V218 HydrophobicContact CE-CG2 3.49Å; M33-V218 VanDerWaalsContact CE-CG2 3.49Å; M33-V225 HydrophobicContact CE-CB 4.41Å; M33-V225 HydrophobicContact CE-CG1 3.88Å; M33-F227 HydrophobicContact CB-CD2 3.9Å; M33-F227 HydrophobicContact CB-CE2 4.07Å; M33-F227 HydrophobicContact CB-CG 4.28Å; M33-F227 HydrophobicContact CE-CB 4.02Å; M33-F227 HydrophobicContact CE-CD2 3.74Å; M33-F227 HydrophobicContact CE-CG 4.26Å; M33-F227 HydrophobicContact CG-CD2 4.25Å; M33-F227 HydrophobicContact CG-CE2 4.44Å; M33-F227 HydrophobicContact SD-CD2 3.47Å; M33-F227 WeakPolarHBondContact SD-CD2 3.23Å; M33-F227 HydrophobicContact SD-CE2 3.89Å; M33-F227 HydrophobicContact SD-CG 4.45Å; M33-E231 WeakPolarHBondContact CG-OE1 3.33Å; M33-E231 PolarHBondContact N-OE1 2.88Å; M33-E231 PolarHBondContact N-OE2 3.01Å; M33-E231 VanDerWaalsContact N-OE2 3.11Å
34L97.8Very high98.1Very high0 Ų034 Ų340%018%0.18CC..THydrogen-bonded Turntrans-902.7-178.6-69.3177.2000114.5G32 N36 T37 M42 N131 I216 V218 F227 D264G32-L34 VanDerWaalsContact C-N 3.27Å; G32-L34 PolarHBondContact O-N 3.02Å; L34-N36 PolarHBondContact O-N 3.28Å; L34-T37 HydrophobicContact CD2-CG2 4.5Å; L34-T37 PolarHBondContact O-N 3.36Å; L34-M42 HydrophobicContact CB-SD 4.47Å; L34-M42 HydrophobicContact CD1-SD 3.66Å; L34-M42 HydrophobicContact CD2-SD 4.05Å; L34-M42 HydrophobicContact CG-SD 4.29Å; L34-N131 PolarHBondContact O-ND2 3.41Å; L34-I216 HydrophobicContact CD2-CB 4.46Å; L34-I216 HydrophobicContact CD2-CG2 4.08Å; L34-V218 HydrophobicContact CD2-CG1 4.14Å; L34-F227 HydrophobicContact CD1-CD1 4.07Å; L34-F227 HydrophobicContact CD1-CE1 3.59Å; L34-F227 HydrophobicContact CD2-CD1 3.81Å; L34-F227 HydrophobicContact CD2-CE1 4.18Å; L34-F227 HydrophobicContact CG-CD1 3.81Å; L34-F227 HydrophobicContact CG-CE1 3.66Å; L34-D264 HydrophobicContact CB-CB 3.78Å; L34-D264 HydrophobicContact CD1-CB 4.03Å; L34-D264 WeakPolarHBondContact CD1-O 3.34Å
35K97Very high98.1Very high100 Ų10035.1 Ų35.144%0.43519%0.189SC..THydrogen-bonded Turntrans-55.3-26.1-17571.2-176.8-179.6-176.30115.3G31 G32 T133 Q134G31-K35 WeakPolarHBondContact O-CD 3.43Å; G32-K35 WeakPolarHBondContact O-CB 3.34Å; G32-K35 WeakPolarHBondContact O-CG 3.2Å; G32-K35 PolarHBondContact O-N 2.78Å; K35-T133 HydrophobicContact CB-CG2 3.59Å; K35-Q134 WeakPolarHBondContact O-CG 3.44Å; K35-Q134 PolarHBondContact O-NE2 3.4Å
36N96.3Very high98.1Very high123 Ų12335.1 Ų35.166%0.65819%0.189SC*.THydrogen-bonded Turntrans-105.61.3-178.6-67.8-30.6000113.2L34L34-N36 PolarHBondContact O-N 3.28Å
37T97.6Very high98.1Very high15 Ų1535.1 Ų35.19%0.09219%0.189CC..SBendtrans-100.9118.2-178.8-54.80000109.5L34 Q41 M42 N131 I216L34-T37 HydrophobicContact CD2-CG2 4.5Å; L34-T37 PolarHBondContact O-N 3.36Å; T37-Q41 HydrophobicContact CG2-CB 3.86Å; T37-M42 HydrophobicContact CG2-CG 3.64Å; T37-N131 PolarHBondContact O-ND2 3.24Å; T37-I216 HydrophobicContact CG2-CG2 4.32Å
38T98.1Very high98.1Very high35 Ų3539.5 Ų39.522%0.21521%0.209CC..  trans-67.5154.3-176.471.70000111.5T40 Q41 M42 A73T38-T40 PolarHBondContact O-N 2.82Å; T38-Q41 PolarHBondContact O-N 3.4Å; T38-Q41 VanDerWaalsContact O-N 3.09Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.28Å; T38-Q41 PolarHBondContact OG1-N 3.44Å; T38-Q41 VanDerWaalsContact OG1-N 3.13Å; T38-M42 PolarHBondContact O-N 3.18Å; T38-M42 VanDerWaalsContact O-N 3.1Å; T38-A73 HydrophobicContact CG2-CB 4.26Å
39P98.5Very high98.1Very high0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-59.1-32173.926.4-36.5000112.3M42 G43 A73 L79 T129 N131P39-M42 HydrophobicContact CB-CE 4.46Å; P39-G43 PolarHBondContact O-N 3.46Å; P39-A73 HydrophobicContact CG-CB 4.12Å; P39-L79 HydrophobicContact CB-CD1 3.89Å; P39-L79 HydrophobicContact CG-CD1 3.92Å; P39-T129 VanDerWaalsContact C-OG1 3.31Å; P39-T129 VanDerWaalsContact CA-OG1 3.23Å; P39-T129 WeakPolarHBondContact CA-OG1 3.34Å; P39-T129 HydrophobicContact CB-CG2 3.96Å; P39-T129 WeakPolarHBondContact CB-OG1 3.33Å; P39-T129 WeakPolarHBondContact O-CG2 3.43Å; P39-T129 PolarHBondContact O-OG1 3.43Å; P39-N131 HydrophobicContact CB-CB 4.38Å; P39-N131 HydrophobicContact CG-CB 4.43Å
40T98.7Very high98.1Very high6 Ų638.1 Ų38.14%0.03720%0.202CC..Hα-helixtrans-62.1-46.8172.5-52.60000111.7T38 M42 G43 I44 D75 H82 I83T38-T40 PolarHBondContact O-N 2.82Å; T40-M42 PolarHBondContact O-N 2.85Å; T40-G43 PolarHBondContact O-N 3.42Å; T40-I44 HydrophobicContact CG2-CD1 4.05Å; T40-I44 WeakPolarHBondContact O-CG1 3.48Å; T40-I44 PolarHBondContact O-N 3.44Å; T40-D75 WeakPolarHBondContact CB-OD2 3.28Å; T40-D75 WeakPolarHBondContact CG2-OD2 3.32Å; T40-D75 PolarHBondContact OG1-OD1 2.9Å; T40-D75 PolarHBondContact OG1-OD2 3.25Å; T40-H82 HydrophobicContact CG2-CB 3.55Å; T40-I83 HydrophobicContact CG2-CG1 4.31Å
41Q98.2Very high98.2Very high104 Ų10432.6 Ų32.649%0.48618%0.181SC..Hα-helixtrans-61.5-44.8178.6-75.3169.7-34.100111.9T37 T38 G43 I44 A45T37-Q41 HydrophobicContact CG2-CB 3.86Å; T38-Q41 PolarHBondContact O-N 3.4Å; T38-Q41 VanDerWaalsContact O-N 3.09Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.28Å; T38-Q41 PolarHBondContact OG1-N 3.44Å; T38-Q41 VanDerWaalsContact OG1-N 3.13Å; Q41-G43 VanDerWaalsContact C-N 3.35Å; Q41-I44 PolarHBondContact O-N 3Å; Q41-A45 PolarHBondContact O-N 2.99Å; Q41-A45 VanDerWaalsContact O-N 3.11Å
42M98.7Very high98.2Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-63.2-42.9175.8-64-172.9-72.700111.4T25 L34 T37 T38 P39 T40 A45 V46 E130 N131 D264 A266T25-M42 HydrophobicContact CG2-CB 4.18Å; T25-M42 HydrophobicContact CG2-CG 4.49Å; L34-M42 HydrophobicContact CB-SD 4.47Å; L34-M42 HydrophobicContact CD1-SD 3.66Å; L34-M42 HydrophobicContact CD2-SD 4.05Å; L34-M42 HydrophobicContact CG-SD 4.29Å; T37-M42 HydrophobicContact CG2-CG 3.64Å; T38-M42 PolarHBondContact O-N 3.18Å; T38-M42 VanDerWaalsContact O-N 3.1Å; P39-M42 HydrophobicContact CB-CE 4.46Å; T40-M42 PolarHBondContact O-N 2.85Å; M42-A45 PolarHBondContact O-N 3.4Å; M42-V46 WeakPolarHBondContact O-CG2 3.4Å; M42-V46 PolarHBondContact O-N 2.7Å; M42-V46 VanDerWaalsContact O-N 3.08Å; M42-E130 VanDerWaalsContact CE-O 3.31Å; M42-E130 WeakPolarHBondContact CE-O 3.4Å; M42-N131 HydrophobicContact CE-CB 3.9Å; M42-D264 HydrophobicContact CE-CB 4.47Å; M42-A266 HydrophobicContact CB-CB 3.65Å
43G98.8Very high98.3Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-60.1-44.117700000113.3P39 T40 Q41 V46 A47P39-G43 PolarHBondContact O-N 3.46Å; T40-G43 PolarHBondContact O-N 3.42Å; Q41-G43 VanDerWaalsContact C-N 3.35Å; G43-V46 WeakPolarHBondContact O-CG2 3.1Å; G43-A47 VanDerWaalsContact O-CB 3.27Å; G43-A47 WeakPolarHBondContact O-CB 3.45Å; G43-A47 PolarHBondContact O-N 3.35Å
44I98.7Very high98.3Very high39 Ų3939.2 Ų39.220%0.220%0.198CC..Hα-helixtrans-58.5-50173.9-69.5165.5000109.9T40 Q41 V46 A47 Q48 I83T40-I44 HydrophobicContact CG2-CD1 4.05Å; T40-I44 WeakPolarHBondContact O-CG1 3.48Å; T40-I44 PolarHBondContact O-N 3.44Å; Q41-I44 PolarHBondContact O-N 3Å; I44-V46 PolarHBondContact O-N 2.68Å; I44-A47 PolarHBondContact O-N 2.67Å; I44-Q48 HydrophobicContact CG2-CG 4.1Å; I44-Q48 WeakPolarHBondContact O-CB 3.39Å; I44-Q48 VanDerWaalsContact O-CG 3.31Å; I44-Q48 WeakPolarHBondContact O-CG 3.09Å; I44-Q48 PolarHBondContact O-N 3.4Å; I44-I83 HydrophobicContact CG1-CB 4.42Å; I44-I83 HydrophobicContact CG1-CG1 4.26Å
45A98.6Very high98.3Very high23 Ų2342.2 Ų42.219%0.1923%0.23CC..Hα-helixtrans-60.1-46-175.900000112.5Q41 M42 A49 I216Q41-A45 PolarHBondContact O-N 2.99Å; Q41-A45 VanDerWaalsContact O-N 3.11Å; M42-A45 PolarHBondContact O-N 3.4Å; A45-A49 WeakPolarHBondContact O-CB 3.39Å; A45-A49 PolarHBondContact O-N 3.11Å; A45-I216 HydrophobicContact CB-CD1 3.39Å
46V98.9Very high98.4Very high0 Ų037.9 Ų37.90%021%0.212CC..Hα-helixtrans-71.1-35.9179.5-630000112.5T25 M42 G43 I44 A50 F66 A266 A268T25-V46 HydrophobicContact CG2-CG1 3.59Å; M42-V46 WeakPolarHBondContact O-CG2 3.4Å; M42-V46 PolarHBondContact O-N 2.7Å; M42-V46 VanDerWaalsContact O-N 3.08Å; G43-V46 WeakPolarHBondContact O-CG2 3.1Å; I44-V46 PolarHBondContact O-N 2.68Å; V46-A50 VanDerWaalsContact O-CB 3.31Å; V46-A50 WeakPolarHBondContact O-CB 3.42Å; V46-A50 PolarHBondContact O-N 3.03Å; V46-F66 HydrophobicContact CG2-CE1 4.42Å; V46-A266 HydrophobicContact CG1-CB 4.19Å; V46-A266 HydrophobicContact CG2-CB 3.84Å; V46-A268 HydrophobicContact CB-CB 4.11Å; V46-A268 HydrophobicContact CG2-CB 3.68Å
47A98.9Very high98.5Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-69.9-41.617800000111.9G43 I44 A50 L51 F66 I83 T87 I125 A268G43-A47 VanDerWaalsContact O-CB 3.27Å; G43-A47 WeakPolarHBondContact O-CB 3.45Å; G43-A47 PolarHBondContact O-N 3.35Å; I44-A47 PolarHBondContact O-N 2.67Å; A47-A50 PolarHBondContact O-N 3.34Å; A47-L51 WeakPolarHBondContact O-CB 3.34Å; A47-L51 WeakPolarHBondContact O-CG 3.31Å; A47-L51 PolarHBondContact O-N 3.47Å; A47-F66 HydrophobicContact CB-CE2 4.47Å; A47-F66 HydrophobicContact CB-CZ 4.14Å; A47-I83 HydrophobicContact CB-CG2 3.97Å; A47-T87 HydrophobicContact CB-CG2 3.44Å; A47-T87 VanDerWaalsContact CB-CG2 3.44Å; A47-I125 HydrophobicContact CB-CG2 4.22Å; A47-A268 HydrophobicContact CB-CB 4.38Å
48Q98.8Very high98.5Very high93 Ų9335.5 Ų35.544%0.43520%0.204SC..Hα-helixtrans-61.2-46.1173.9-76.2179.6-26.500111.3I44 A50 L51 Q52 G86 T87I44-Q48 HydrophobicContact CG2-CG 4.1Å; I44-Q48 WeakPolarHBondContact O-CB 3.39Å; I44-Q48 VanDerWaalsContact O-CG 3.31Å; I44-Q48 WeakPolarHBondContact O-CG 3.09Å; I44-Q48 PolarHBondContact O-N 3.4Å; Q48-A50 VanDerWaalsContact C-N 3.34Å; Q48-A50 PolarHBondContact O-N 2.94Å; Q48-L51 PolarHBondContact O-N 3.4Å; Q48-Q52 WeakPolarHBondContact O-CB 3.49Å; Q48-Q52 PolarHBondContact O-N 2.9Å; Q48-G86 PolarHBondContact NE2-O 3.41Å; Q48-T87 HydrophobicContact CG-CG2 3.9Å
49A98.7Very high98.6Very high15 Ų1539.3 Ų39.312%0.12422%0.223CC..Hα-helixtrans-65.1-37.2178.700000112.5K23 A45 E53 V214K23-A49 HydrophobicContact CB-CB 4.37Å; K23-A49 HydrophobicContact CG-CB 3.94Å; A45-A49 WeakPolarHBondContact O-CB 3.39Å; A45-A49 PolarHBondContact O-N 3.11Å; A49-E53 WeakPolarHBondContact O-CB 3.38Å; A49-E53 PolarHBondContact O-N 3.28Å; A49-V214 HydrophobicContact CB-CB 4.28Å; A49-V214 HydrophobicContact CB-CG1 3.87Å; A49-V214 HydrophobicContact CB-CG2 3.36Å
50A98.8Very high98.6Very high0 Ų042.5 Ų42.50%024%0.24CC..Hα-helixtrans-69.1-41.7176.300000111.4A21 K23 V46 A47 Q48 E53 S54 V270A21-A50 HydrophobicContact CB-CB 4.36Å; A21-A50 WeakPolarHBondContact CB-O 3.37Å; K23-A50 HydrophobicContact CB-CB 4.2Å; K23-A50 HydrophobicContact CG-CB 4.05Å; V46-A50 VanDerWaalsContact O-CB 3.31Å; V46-A50 WeakPolarHBondContact O-CB 3.42Å; V46-A50 PolarHBondContact O-N 3.03Å; A47-A50 PolarHBondContact O-N 3.34Å; Q48-A50 VanDerWaalsContact C-N 3.34Å; Q48-A50 PolarHBondContact O-N 2.94Å; A50-E53 PolarHBondContact O-N 3.12Å; A50-S54 WeakPolarHBondContact O-CB 3.27Å; A50-S54 PolarHBondContact O-N 3.39Å; A50-S54 PolarHBondContact O-OG 2.93Å; A50-V270 HydrophobicContact CB-CG2 3.82Å
51L98.7Very high98.6Very high9 Ų942.4 Ų42.45%0.04724%0.239CC..Hα-helixtrans-58.8-49.1172.3-79171.5000111.4A47 Q48 E53 S54 G55 V56 P58 V61 T87 I125 V270A47-L51 WeakPolarHBondContact O-CB 3.34Å; A47-L51 WeakPolarHBondContact O-CG 3.31Å; A47-L51 PolarHBondContact O-N 3.47Å; Q48-L51 PolarHBondContact O-N 3.4Å; L51-E53 PolarHBondContact O-N 3.25Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-N 3.25Å; L51-S54 PolarHBondContact O-OG 2.94Å; L51-G55 PolarHBondContact O-N 3.42Å; L51-G55 VanDerWaalsContact O-N 3.12Å; L51-V56 HydrophobicContact CD2-CB 4.12Å; L51-V56 HydrophobicContact CD2-CG1 3.86Å; L51-P58 HydrophobicContact CD1-CG 4.35Å; L51-V61 HydrophobicContact CD2-CG2 3.83Å; L51-T87 HydrophobicContact CD1-CG2 4.44Å; L51-I125 HydrophobicContact CD1-CD1 3.76Å; L51-I125 HydrophobicContact CD2-CD1 3.99Å; L51-I125 HydrophobicContact CD2-CG1 4.41Å; L51-I125 HydrophobicContact CG-CD1 3.86Å; L51-V270 HydrophobicContact CD2-CG2 4.14Å; L51-V270 HydrophobicContact CG-CG2 4.34Å
52Q98.4Very high98.6Very high167 Ų16738.6 Ų38.678%0.7823%0.229SC*.Hα-helixtrans-57.9-45.8178.2-175.2-179.32.100112.3Q48 G55Q48-Q52 WeakPolarHBondContact O-CB 3.49Å; Q48-Q52 PolarHBondContact O-N 2.9Å; Q52-G55 PolarHBondContact O-N 3.31Å
53E98.3Very high98.6Very high82 Ų8238.9 Ų38.938%0.38323%0.23SC..Hα-helixtrans-65.9-38177.9177.4172.4-108.300112.4A21 A22 K23 A49 A50 L51 G55A21-E53 HydrophobicContact CB-CB 3.99Å; A21-E53 HydrophobicContact CB-CG 4.04Å; A22-E53 PolarHBondContact N-OE2 3.37Å; K23-E53 WeakPolarHBondContact CE-OE1 3.28Å; K23-E53 WeakPolarHBondContact CE-OE2 3.35Å; K23-E53 IonicContact NZ-OE1 3.42Å; K23-E53 PolarHBondContact NZ-OE1 2.81Å; K23-E53 IonicContact NZ-OE2 3.92Å; K23-E53 PolarHBondContact NZ-OE2 3.29Å; A49-E53 WeakPolarHBondContact O-CB 3.38Å; A49-E53 PolarHBondContact O-N 3.28Å; A50-E53 PolarHBondContact O-N 3.12Å; L51-E53 PolarHBondContact O-N 3.25Å; E53-G55 VanDerWaalsContact C-N 3.28Å; E53-G55 PolarHBondContact O-N 2.93Å
54S98.2Very high98.6Very high12 Ų1238.9 Ų38.98%0.08423%0.23CC..Hα-helixtrans-70.8-22.5-179.567.40000114A50 L51 V56A50-S54 WeakPolarHBondContact O-CB 3.27Å; A50-S54 PolarHBondContact O-N 3.39Å; A50-S54 PolarHBondContact O-OG 2.93Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-N 3.25Å; L51-S54 PolarHBondContact O-OG 2.94Å; S54-V56 PolarHBondContact O-N 3.08Å; S54-V56 VanDerWaalsContact OG-CB 3.29Å; S54-V56 WeakPolarHBondContact OG-CB 3.28Å; S54-V56 WeakPolarHBondContact OG-CG2 3.34Å; S54-V56 PolarHBondContact OG-N 3.06Å; S54-V56 VanDerWaalsContact OG-N 3.15Å
55G97.9Very high98.6Very high64 Ų6437 Ų3766%0.6622%0.221SC*.THydrogen-bonded Turntrans71.77.4-169.600000114.4L51 Q52 E53L51-G55 PolarHBondContact O-N 3.42Å; L51-G55 VanDerWaalsContact O-N 3.12Å; Q52-G55 PolarHBondContact O-N 3.31Å; E53-G55 VanDerWaalsContact C-N 3.28Å; E53-G55 PolarHBondContact O-N 2.93Å
56V98.6Very high98.6Very high9 Ų936 Ų366%0.05521%0.212CC..  trans-72.2131.8175.8167.60000110.2L51 S54 V61 I123 V270 L282L51-V56 HydrophobicContact CD2-CB 4.12Å; L51-V56 HydrophobicContact CD2-CG1 3.86Å; S54-V56 PolarHBondContact O-N 3.08Å; S54-V56 VanDerWaalsContact OG-CB 3.29Å; S54-V56 WeakPolarHBondContact OG-CB 3.28Å; S54-V56 WeakPolarHBondContact OG-CG2 3.34Å; S54-V56 PolarHBondContact OG-N 3.06Å; S54-V56 VanDerWaalsContact OG-N 3.15Å; V56-V61 HydrophobicContact CG1-CG2 4.11Å; V56-I123 HydrophobicContact CG1-CD1 4.3Å; V56-I123 HydrophobicContact CG1-CG2 3.72Å; V56-I123 HydrophobicContact CG2-CD1 4.36Å; V56-I123 HydrophobicContact CG2-CG2 4.42Å; V56-V270 HydrophobicContact CB-CG1 4.41Å; V56-V270 HydrophobicContact CG2-CG1 4.04Å; V56-L282 HydrophobicContact CG2-CD1 3.78Å; V56-L282 HydrophobicContact CG2-CD2 3.75Å; V56-L282 HydrophobicContact CG2-CG 4.44Å
57S98.3Very high98.6Very high47 Ų4736 Ų3633%0.32921%0.212SC..  trans-70.1135.7170-179.80000110.1N59 D60S57-N59 PolarHBondContact O-N 2.93Å; S57-N59 PolarHBondContact OG-N 3.38Å; S57-D60 WeakPolarHBondContact CB-OD2 3.18Å; S57-D60 PolarHBondContact O-N 2.94Å
58P98.6Very high98.6Very high40 Ų4036 Ų3626%0.2621%0.212SC..G310 helixtrans-53.2-26.7172-25.733.3000113.6L51 D60 V61 G88 V89 P90L51-P58 HydrophobicContact CD1-CG 4.35Å; P58-D60 VanDerWaalsContact C-N 3.27Å; P58-D60 PolarHBondContact O-N 2.87Å; P58-V61 PolarHBondContact O-N 3.31Å; P58-G88 WeakPolarHBondContact CB-O 3.17Å; P58-V89 HydrophobicContact CB-CG2 4.12Å; P58-P90 WeakPolarHBondContact O-CD 3.48Å
59N98.5Very high98.6Very high116 Ų11632 Ų3262%0.6220%0.195SC*.G310 helixtrans-70.4-19177.7-68.2-31.2000114.2S57S57-N59 PolarHBondContact O-N 2.93Å; S57-N59 PolarHBondContact OG-N 3.38Å
60D98.5Very high98.5Very high67 Ų6731.5 Ų31.536%0.35819%0.19SC..G310 helixtrans-90.8-9.7-179.8-62.7-43.8000112.5S57 P58 I123 H280S57-D60 WeakPolarHBondContact CB-OD2 3.18Å; S57-D60 PolarHBondContact O-N 2.94Å; P58-D60 VanDerWaalsContact C-N 3.27Å; P58-D60 PolarHBondContact O-N 2.87Å; D60-I123 HydrophobicContact CB-CD1 4Å; D60-H280 IonicContact OD1-CE1 3.69Å; D60-H280 IonicContact OD2-CE1 3.53Å; D60-H280 PolarHBondContact OD2-CE1 2.9Å; D60-H280 VanDerWaalsContact OD2-CE1 3.29Å; D60-H280 IonicContact OD2-ND1 3.29Å; D60-H280 PolarHBondContact OD2-ND1 3.1Å
61V98.8Very high98.5Very high3 Ų335.5 Ų35.52%0.01821%0.209CC..  trans-74.9125.2179.6178.30000110.1L51 V56 P58 T63 V64 V89 V93 I123 I125L51-V61 HydrophobicContact CD2-CG2 3.83Å; V56-V61 HydrophobicContact CG1-CG2 4.11Å; P58-V61 PolarHBondContact O-N 3.31Å; V61-T63 WeakPolarHBondContact CG1-O 3.46Å; V61-V64 HydrophobicContact CG1-CG2 3.95Å; V61-V89 HydrophobicContact CB-CG1 4.08Å; V61-V89 HydrophobicContact CB-CG2 3.9Å; V61-V89 HydrophobicContact CG1-CG1 4.13Å; V61-V89 HydrophobicContact CG1-CG2 4.08Å; V61-V89 HydrophobicContact CG2-CG2 4.07Å; V61-V93 WeakPolarHBondContact O-CG2 3.33Å; V61-I123 HydrophobicContact CG2-CG2 4.2Å; V61-I125 HydrophobicContact CG1-CD1 4.22Å; V61-I125 HydrophobicContact CG1-CG1 4.05Å; V61-I125 HydrophobicContact CG2-CD1 4.26Å; V61-I125 HydrophobicContact CG2-CG1 4.33Å
62G98.6Very high98.4Very high25 Ų2535.7 Ų35.726%0.25821%0.211SC..  trans-105.4-10.8179.700000115.4V93 I123G62-V93 VanDerWaalsContact C-CG1 3.44Å; G62-V93 WeakPolarHBondContact O-CG1 3.42Å; G62-I123 PolarHBondContact N-O 3.38Å
63T98.7Very high98.3Very high6 Ų628.4 Ų28.44%0.03718%0.179CC..EExtended strand (participates in β ladder)trans-153.9148176-169.60000111.1V61 V112 D115 C121 G124 I125V61-T63 WeakPolarHBondContact CG1-O 3.46Å; T63-V112 HydrophobicContact CG2-CB 4.42Å; T63-V112 HydrophobicContact CG2-CG1 4.08Å; T63-V112 HydrophobicContact CG2-CG2 4.01Å; T63-D115 VanDerWaalsContact CB-OD2 3.3Å; T63-D115 WeakPolarHBondContact CB-OD2 3.49Å; T63-D115 HydrophobicContact CG2-CB 4.32Å; T63-D115 WeakPolarHBondContact CG2-OD2 3.31Å; T63-D115 PolarHBondContact OG1-OD2 3.05Å; T63-C121 VanDerWaalsContact CG2-SG 3.52Å; T63-G124 VanDerWaalsContact O-CA 3.28Å; T63-G124 WeakPolarHBondContact O-CA 3.34Å; T63-I125 PolarHBondContact O-N 2.91Å
64V98.9Very high98.1Very high0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-131.8122.6170.4-178.30000108.6V61 F66 T80 L84 P94 G95 L96 I125V61-V64 HydrophobicContact CG1-CG2 3.95Å; V64-F66 HydrophobicContact CG1-CD2 3.89Å; V64-F66 HydrophobicContact CG1-CE2 3.99Å; V64-T80 HydrophobicContact CB-CG2 4.29Å; V64-T80 HydrophobicContact CG1-CG2 3.79Å; V64-T80 WeakPolarHBondContact O-CG2 3.12Å; V64-L84 HydrophobicContact CB-CB 4.12Å; V64-L84 HydrophobicContact CB-CD1 4.03Å; V64-L84 HydrophobicContact CB-CG 4.33Å; V64-L84 HydrophobicContact CG1-CB 4.35Å; V64-L84 HydrophobicContact CG2-CB 3.94Å; V64-L84 HydrophobicContact CG2-CD1 3.8Å; V64-L84 HydrophobicContact CG2-CG 3.8Å; V64-P94 PolarHBondContact N-O 2.85Å; V64-G95 CarbonylContact O-C 3.49Å; V64-G95 VanDerWaalsContact O-CA 3.31Å; V64-G95 WeakPolarHBondContact O-CA 3.3Å; V64-L96 PolarHBondContact O-N 2.99Å; V64-I125 CarbonylContact C-O 3.6Å; V64-I125 WeakPolarHBondContact CA-O 3.46Å; V64-I125 HydrophobicContact CG1-CB 4.2Å; V64-I125 HydrophobicContact CG2-CB 4.21Å; V64-I125 HydrophobicContact CG2-CD1 4.16Å; V64-I125 HydrophobicContact CG2-CG1 4.4Å
65V98.9Very high98.1Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-125.4125.9179.9-168.30000109.9L96 V98 S108 N111 V112 I125 A126 G127V65-L96 WeakPolarHBondContact CA-O 3.34Å; V65-L96 HydrophobicContact CG1-CB 4.22Å; V65-L96 HydrophobicContact CG1-CD2 4.14Å; V65-L96 HydrophobicContact CG1-CG 4.25Å; V65-L96 HydrophobicContact CG2-CB 4.24Å; V65-L96 HydrophobicContact CG2-CD2 4.49Å; V65-V98 HydrophobicContact CG1-CG1 3.8Å; V65-V98 HydrophobicContact CG1-CG2 3.98Å; V65-S108 WeakPolarHBondContact O-CB 3.2Å; V65-N111 HydrophobicContact CB-CB 4.48Å; V65-N111 HydrophobicContact CG1-CB 3.96Å; V65-N111 HydrophobicContact CG2-CB 4.13Å; V65-V112 HydrophobicContact CB-CG2 3.99Å; V65-V112 HydrophobicContact CG2-CG2 3.64Å; V65-I125 PolarHBondContact N-O 3.24Å; V65-A126 CarbonylContact O-C 3.51Å; V65-A126 VanDerWaalsContact O-CA 3.29Å; V65-A126 WeakPolarHBondContact O-CA 3.49Å; V65-G127 PolarHBondContact O-N 3.2Å; V65-G127 VanDerWaalsContact O-N 3.08Å
66F98.9Very high98Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-127.1135.6176.6-92.9-109.4000111.7V46 A47 V64 L79 T80 I83 L96 I97 V98 I125 G127 T129 A268V46-F66 HydrophobicContact CG2-CE1 4.42Å; A47-F66 HydrophobicContact CB-CE2 4.47Å; A47-F66 HydrophobicContact CB-CZ 4.14Å; V64-F66 HydrophobicContact CG1-CD2 3.89Å; V64-F66 HydrophobicContact CG1-CE2 3.99Å; F66-L79 HydrophobicContact CB-CD2 4.12Å; F66-T80 HydrophobicContact CB-CG2 4.03Å; F66-T80 WeakPolarHBondContact CB-OG1 3.23Å; F66-T80 HydrophobicContact CD2-CG2 4.21Å; F66-I83 HydrophobicContact CB-CD1 4.35Å; F66-I83 HydrophobicContact CD1-CD1 3.63Å; F66-I83 HydrophobicContact CD2-CD1 4.2Å; F66-I83 HydrophobicContact CD2-CG2 4.28Å; F66-I83 HydrophobicContact CE1-CD1 3.88Å; F66-I83 HydrophobicContact CE2-CD1 4.42Å; F66-I83 HydrophobicContact CE2-CG2 3.76Å; F66-I83 HydrophobicContact CG-CD1 3.8Å; F66-I83 HydrophobicContact CZ-CD1 4.26Å; F66-I83 HydrophobicContact CZ-CG2 3.91Å; F66-L96 PolarHBondContact N-O 2.89Å; F66-I97 WeakPolarHBondContact O-CA 3.36Å; F66-V98 PolarHBondContact O-N 2.83Å; F66-I125 HydrophobicContact CE2-CG2 4.01Å; F66-G127 WeakPolarHBondContact CA-O 3.44Å; F66-T129 HydrophobicContact CD1-CG2 4.16Å; F66-A268 HydrophobicContact CE1-CB 4.49Å; F66-A268 HydrophobicContact CZ-CB 3.83Å
67G98.8Very high97.9Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-80.6129.8169.900000112.4V98 G127 G128 T129G67-V98 VanDerWaalsContact CA-O 3.29Å; G67-V98 WeakPolarHBondContact CA-O 3.43Å; G67-G127 PolarHBondContact N-O 2.92Å; G67-G128 CarbonylContact O-C 3.55Å; G67-G128 WeakPolarHBondContact O-CA 3.26Å; G67-T129 PolarHBondContact O-N 3.47Å
68N98.7Very high97.9Very high0 Ų042.9 Ų42.90%021%0.214CC..  trans-149.2126.1172177.4-120.5000109.3I70 H71 L79 I97 V98 T129 E130N68-I70 PolarHBondContact ND2-O 3.1Å; N68-I70 VanDerWaalsContact ND2-O 3.08Å; N68-I70 PolarHBondContact OD1-O 3.48Å; N68-I70 VanDerWaalsContact OD1-O 3.05Å; N68-H71 PolarHBondContact OD1-CD2 3.04Å; N68-H71 VanDerWaalsContact OD1-CD2 3.28Å; N68-L79 HydrophobicContact CB-CD1 4.31Å; N68-L79 HydrophobicContact CB-CD2 4.41Å; N68-I97 HydrophobicContact CB-CD1 4.06Å; N68-I97 HydrophobicContact CB-CG1 4.26Å; N68-V98 PolarHBondContact N-O 2.9Å; N68-V98 VanDerWaalsContact N-O 3.14Å; N68-T129 PolarHBondContact ND2-O 3.4Å; N68-E130 PolarHBondContact ND2-OE1 2.95Å
69A98.2Very high97.9Very high11 Ų1141 Ų419%0.09120%0.202CC..SBendtrans-92.2-38.7-177.700000111.8N99 E130 L363A69-N99 PolarHBondContact O-ND2 3.23Å; A69-E130 VanDerWaalsContact CB-OE2 3.3Å; A69-E130 WeakPolarHBondContact CB-OE2 3.31Å; A69-E130 PolarHBondContact N-OE2 3.32Å; A69-L363 HydrophobicContact CB-CB 3.82Å; A69-L363 HydrophobicContact CB-CD1 4.08Å
70I98.2Very high97.9Very high3 Ų335.6 Ų35.62%0.01517%0.173CC..SBendtrans-115.7119.6-179.7-52.9174.1000108.9N68 S72 E130 M132 A135 I157 L158 T161N68-I70 PolarHBondContact ND2-O 3.1Å; N68-I70 VanDerWaalsContact ND2-O 3.08Å; N68-I70 PolarHBondContact OD1-O 3.48Å; N68-I70 VanDerWaalsContact OD1-O 3.05Å; I70-S72 PolarHBondContact O-N 3.26Å; I70-E130 WeakPolarHBondContact CB-OE1 3.2Å; I70-E130 PolarHBondContact N-OE1 3.48Å; I70-M132 HydrophobicContact CD1-CG 4.48Å; I70-A135 HydrophobicContact CD1-CB 4.47Å; I70-A135 HydrophobicContact CG2-CB 4.01Å; I70-I157 HydrophobicContact CG2-CG2 4.16Å; I70-L158 HydrophobicContact CD1-CD1 3.95Å; I70-T161 HydrophobicContact CD1-CG2 4.08Å; I70-T161 HydrophobicContact CG1-CG2 3.77Å
71H97.1Very high97.9Very high85 Ų8535.8 Ų35.839%0.39417%0.168SC..  trans-72.178.2169.5-68.1-179.3000109.8N68N68-H71 PolarHBondContact OD1-CD2 3.04Å; N68-H71 VanDerWaalsContact OD1-CD2 3.28Å
72S97.6Very high97.9Very high12 Ų1239 Ų398%0.08418%0.183CC..  trans-85-16.5-174.157.50000114.7I70 N131 Q134I70-S72 PolarHBondContact O-N 3.26Å; S72-N131 WeakPolarHBondContact CB-O 3.43Å; S72-N131 PolarHBondContact OG-O 3.08Å; S72-Q134 VanDerWaalsContact O-O 3.08Å
73A96.3Very high97.9Very high14 Ų1437.8 Ų37.812%0.11617%0.171CC..SBendtrans-104157.9170.800000112.1T38 P39 D75 G76T38-A73 HydrophobicContact CG2-CB 4.26Å; P39-A73 HydrophobicContact CG-CB 4.12Å; A73-D75 WeakPolarHBondContact CB-OD1 3.46Å; A73-D75 PolarHBondContact O-N 3.45Å; A73-D75 VanDerWaalsContact O-N 3.17Å; A73-G76 PolarHBondContact O-N 3.11Å
74R94.9Very high97.9Very high260 Ų26037.5 Ų37.598%0.98117%0.169SC*.THydrogen-bonded Turntrans-59-28.3179.8-66.3-177.7179.9179.90.1113.1
75D96.7Very high97.9Very high36 Ų3641 Ų4119%0.19319%0.187CC..THydrogen-bonded Turntrans-93.311.8176.968.3-35.8000113.4T40 A73 Y78 L79 H82T40-D75 WeakPolarHBondContact CB-OD2 3.28Å; T40-D75 WeakPolarHBondContact CG2-OD2 3.32Å; T40-D75 PolarHBondContact OG1-OD1 2.9Å; T40-D75 PolarHBondContact OG1-OD2 3.25Å; A73-D75 WeakPolarHBondContact CB-OD1 3.46Å; A73-D75 PolarHBondContact O-N 3.45Å; A73-D75 VanDerWaalsContact O-N 3.17Å; D75-Y78 CarbonylContact O-C 3.52Å; D75-Y78 WeakPolarHBondContact O-CA 3.38Å; D75-Y78 PolarHBondContact O-N 2.89Å; D75-L79 PolarHBondContact O-N 2.85Å; D75-L79 VanDerWaalsContact O-N 3.09Å; D75-H82 IonicContact OD2-CE1 3.35Å; D75-H82 IonicContact OD2-CG 3.85Å; D75-H82 IonicContact OD2-ND1 2.67Å; D75-H82 PolarHBondContact OD2-ND1 3.4Å
76G96.6Very high97.9Very high0 Ų042.3 Ų42.30%020%0.201CC..G310 helixtrans-45.6-47.5-177.900000114.9A73 Y78 L79 I97A73-G76 PolarHBondContact O-N 3.11Å; G76-Y78 PolarHBondContact O-N 3Å; G76-Y78 VanDerWaalsContact O-N 3.15Å; G76-L79 WeakPolarHBondContact O-CB 3.48Å; G76-L79 PolarHBondContact O-N 2.94Å; G76-L79 VanDerWaalsContact O-N 3.1Å; G76-I97 WeakPolarHBondContact O-CD1 3.22Å
77P97.2Very high97.9Very high75 Ų7542.8 Ų42.849%0.48720%0.204SC..G310 helixtrans-61.4-22176.2-25.435.5000115.3
78Y98.1Very high97.9Very high148 Ų14845.1 Ų45.158%0.5823%0.228SC*.G310 helixtrans-105.45.6179.4-55.2-74000112.6D75 G76 T80 R81 H82D75-Y78 CarbonylContact O-C 3.52Å; D75-Y78 WeakPolarHBondContact O-CA 3.38Å; D75-Y78 PolarHBondContact O-N 2.89Å; G76-Y78 PolarHBondContact O-N 3Å; G76-Y78 VanDerWaalsContact O-N 3.15Å; Y78-T80 PolarHBondContact O-N 3.13Å; Y78-R81 CarbonylContact O-C 3.58Å; Y78-R81 WeakPolarHBondContact O-CA 3.19Å; Y78-R81 WeakPolarHBondContact O-CB 3.4Å; Y78-R81 PolarHBondContact O-N 2.96Å; Y78-H82 PolarHBondContact O-N 2.93Å
79L98.5Very high97.9Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-49.7-53.5-169.2175.1147.9000112.8P39 F66 N68 D75 G76 R81 H82 I83 I97 T129P39-L79 HydrophobicContact CB-CD1 3.89Å; P39-L79 HydrophobicContact CG-CD1 3.92Å; F66-L79 HydrophobicContact CB-CD2 4.12Å; N68-L79 HydrophobicContact CB-CD1 4.31Å; N68-L79 HydrophobicContact CB-CD2 4.41Å; D75-L79 PolarHBondContact O-N 2.85Å; D75-L79 VanDerWaalsContact O-N 3.09Å; G76-L79 WeakPolarHBondContact O-CB 3.48Å; G76-L79 PolarHBondContact O-N 2.94Å; G76-L79 VanDerWaalsContact O-N 3.1Å; L79-R81 VanDerWaalsContact C-N 3.28Å; L79-R81 PolarHBondContact O-N 3.44Å; L79-H82 PolarHBondContact O-N 2.82Å; L79-I83 HydrophobicContact CD2-CD1 3.55Å; L79-I83 HydrophobicContact CG-CD1 4.08Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 3.22Å; L79-I97 HydrophobicContact CB-CD1 4.2Å; L79-T129 HydrophobicContact CD1-CG2 3.73Å; L79-T129 HydrophobicContact CD2-CG2 3.62Å; L79-T129 HydrophobicContact CG-CG2 4.13Å
80T98.7Very high97.9Very high2 Ų246.4 Ų46.41%0.01224%0.235CC..Hα-helixtrans-66-36-178.2-500000111.7V64 F66 Y78 I83 L84 L96 I97V64-T80 HydrophobicContact CB-CG2 4.29Å; V64-T80 HydrophobicContact CG1-CG2 3.79Å; V64-T80 WeakPolarHBondContact O-CG2 3.12Å; F66-T80 HydrophobicContact CB-CG2 4.03Å; F66-T80 WeakPolarHBondContact CB-OG1 3.23Å; F66-T80 HydrophobicContact CD2-CG2 4.21Å; Y78-T80 PolarHBondContact O-N 3.13Å; T80-I83 PolarHBondContact O-N 2.86Å; T80-L84 WeakPolarHBondContact O-CB 3.49Å; T80-L84 PolarHBondContact O-N 3.36Å; T80-L96 WeakPolarHBondContact CB-O 3.3Å; T80-L96 VanDerWaalsContact CG2-O 3.26Å; T80-L96 WeakPolarHBondContact CG2-O 3.25Å; T80-L96 PolarHBondContact OG1-O 3.09Å; T80-I97 VanDerWaalsContact OG1-CA 3.27Å; T80-I97 WeakPolarHBondContact OG1-CA 3.46Å; T80-I97 WeakPolarHBondContact OG1-CB 3.33Å; T80-I97 PolarHBondContact OG1-N 3.26Å
81R98.6Very high97.9Very high72 Ų7253.6 Ų53.627%0.27227%0.269SS..Hα-helixtrans-65.8-40.6177.4-178.855.6176.8173.4-5.1111.2Y78 L79 L84 L85 Q91 V93Y78-R81 CarbonylContact O-C 3.58Å; Y78-R81 WeakPolarHBondContact O-CA 3.19Å; Y78-R81 WeakPolarHBondContact O-CB 3.4Å; Y78-R81 PolarHBondContact O-N 2.96Å; L79-R81 VanDerWaalsContact C-N 3.28Å; L79-R81 PolarHBondContact O-N 3.44Å; R81-L84 VanDerWaalsContact NH1-CD2 3.34Å; R81-L84 PolarHBondContact O-N 2.96Å; R81-L85 HydrophobicContact CG-CD1 4.27Å; R81-L85 VanDerWaalsContact O-CG 3.28Å; R81-L85 WeakPolarHBondContact O-CG 3.48Å; R81-L85 PolarHBondContact O-N 3.25Å; R81-Q91 PolarHBondContact NH1-O 3.36Å; R81-Q91 PolarHBondContact NH2-O 3.4Å; R81-V93 PolarHBondContact NH1-O 2.91Å
82H98.7Very high97.9Very high70 Ų7054.8 Ų54.832%0.32429%0.287SS..Hα-helixtrans-70-35.2176.2-69179.9000112.5T40 D75 Y78 L79 L85 G86T40-H82 HydrophobicContact CG2-CB 3.55Å; D75-H82 IonicContact OD2-CE1 3.35Å; D75-H82 IonicContact OD2-CG 3.85Å; D75-H82 IonicContact OD2-ND1 2.67Å; D75-H82 PolarHBondContact OD2-ND1 3.4Å; Y78-H82 PolarHBondContact O-N 2.93Å; L79-H82 PolarHBondContact O-N 2.82Å; H82-L85 PolarHBondContact O-N 3.1Å; H82-G86 PolarHBondContact O-N 2.81Å
83I98.8Very high98Very high0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-59.8-50.4171.3-67.7166.2000110.4T40 I44 A47 F66 L79 T80 L85 G86 T87 T129T40-I83 HydrophobicContact CG2-CG1 4.31Å; I44-I83 HydrophobicContact CG1-CB 4.42Å; I44-I83 HydrophobicContact CG1-CG1 4.26Å; A47-I83 HydrophobicContact CB-CG2 3.97Å; F66-I83 HydrophobicContact CB-CD1 4.35Å; F66-I83 HydrophobicContact CD1-CD1 3.63Å; F66-I83 HydrophobicContact CD2-CD1 4.2Å; F66-I83 HydrophobicContact CD2-CG2 4.28Å; F66-I83 HydrophobicContact CE1-CD1 3.88Å; F66-I83 HydrophobicContact CE2-CD1 4.42Å; F66-I83 HydrophobicContact CE2-CG2 3.76Å; F66-I83 HydrophobicContact CG-CD1 3.8Å; F66-I83 HydrophobicContact CZ-CD1 4.26Å; F66-I83 HydrophobicContact CZ-CG2 3.91Å; L79-I83 HydrophobicContact CD2-CD1 3.55Å; L79-I83 HydrophobicContact CG-CD1 4.08Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.37Å; L79-I83 PolarHBondContact O-N 3.22Å; T80-I83 PolarHBondContact O-N 2.86Å; I83-L85 PolarHBondContact O-N 3.09Å; I83-G86 PolarHBondContact O-N 3.17Å; I83-T87 HydrophobicContact CG2-CG2 4.45Å; I83-T87 VanDerWaalsContact O-CG2 3.29Å; I83-T87 WeakPolarHBondContact O-CG2 3.25Å; I83-T87 PolarHBondContact O-N 3.17Å; I83-T87 PolarHBondContact O-OG1 3.48Å; I83-T129 HydrophobicContact CD1-CG2 4.25Å
84L98.6Very high98Very high0 Ų058.2 Ų58.20%031%0.308CS..Hα-helixtrans-55-48.9176.5179.2165.7000111.9V64 T80 R81 G86 T87 V89 V93 P94V64-L84 HydrophobicContact CB-CB 4.12Å; V64-L84 HydrophobicContact CB-CD1 4.03Å; V64-L84 HydrophobicContact CB-CG 4.33Å; V64-L84 HydrophobicContact CG1-CB 4.35Å; V64-L84 HydrophobicContact CG2-CB 3.94Å; V64-L84 HydrophobicContact CG2-CD1 3.8Å; V64-L84 HydrophobicContact CG2-CG 3.8Å; T80-L84 WeakPolarHBondContact O-CB 3.49Å; T80-L84 PolarHBondContact O-N 3.36Å; R81-L84 VanDerWaalsContact NH1-CD2 3.34Å; R81-L84 PolarHBondContact O-N 2.96Å; L84-G86 VanDerWaalsContact C-N 3.32Å; L84-G86 PolarHBondContact O-N 2.97Å; L84-T87 PolarHBondContact O-N 3.23Å; L84-T87 PolarHBondContact O-OG1 2.91Å; L84-V89 HydrophobicContact CD1-CG1 4.27Å; L84-V89 HydrophobicContact CD2-CB 3.84Å; L84-V89 HydrophobicContact CD2-CG1 3.82Å; L84-V89 HydrophobicContact CG-CB 3.84Å; L84-V89 HydrophobicContact CG-CG1 3.73Å; L84-V89 PolarHBondContact O-N 2.74Å; L84-V93 HydrophobicContact CD1-CB 4.17Å; L84-V93 HydrophobicContact CD1-CG1 3.94Å; L84-V93 WeakPolarHBondContact CD1-O 3.45Å; L84-P94 VanDerWaalsContact CD1-O 3.23Å; L84-P94 WeakPolarHBondContact CD1-O 3.47Å
85L98.7Very high98.2Very high72 Ų7247.3 Ų47.338%0.37728%0.276SS..Hα-helixtrans-66.9-36.7179.9-66.7173.6000111.7R81 H82 I83 T87 G88 Q91R81-L85 HydrophobicContact CG-CD1 4.27Å; R81-L85 VanDerWaalsContact O-CG 3.28Å; R81-L85 WeakPolarHBondContact O-CG 3.48Å; R81-L85 PolarHBondContact O-N 3.25Å; H82-L85 PolarHBondContact O-N 3.1Å; I83-L85 PolarHBondContact O-N 3.09Å; L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 2.73Å; L85-G88 PolarHBondContact O-N 2.8Å; L85-Q91 HydrophobicContact CD2-CB 4.45Å; L85-Q91 HydrophobicContact CD2-CG 3.82Å
86G98.5Very high98.3Very high29 Ų2949.3 Ų49.330%0.29929%0.286SS..Hα-helixtrans-69-20.3176.800000114.1Q48 H82 I83 L84Q48-G86 PolarHBondContact NE2-O 3.41Å; H82-G86 PolarHBondContact O-N 2.81Å; I83-G86 PolarHBondContact O-N 3.17Å; L84-G86 VanDerWaalsContact C-N 3.32Å; L84-G86 PolarHBondContact O-N 2.97Å
87T98.4Very high98.3Very high10 Ų1051.7 Ų51.76%0.06130%0.298CS..THydrogen-bonded Turntrans-89.3-2.5175.858.30000113.5A47 Q48 L51 I83 L84 L85 V89A47-T87 HydrophobicContact CB-CG2 3.44Å; A47-T87 VanDerWaalsContact CB-CG2 3.44Å; Q48-T87 HydrophobicContact CG-CG2 3.9Å; L51-T87 HydrophobicContact CD1-CG2 4.44Å; I83-T87 HydrophobicContact CG2-CG2 4.45Å; I83-T87 VanDerWaalsContact O-CG2 3.29Å; I83-T87 WeakPolarHBondContact O-CG2 3.25Å; I83-T87 PolarHBondContact O-N 3.17Å; I83-T87 PolarHBondContact O-OG1 3.48Å; L84-T87 PolarHBondContact O-N 3.23Å; L84-T87 PolarHBondContact O-OG1 2.91Å; L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 2.73Å; T87-V89 VanDerWaalsContact C-N 3.29Å; T87-V89 WeakPolarHBondContact OG1-CG2 3.37Å
88G98.3Very high98.4Very high49 Ų4948.9 Ų48.951%0.50528%0.28SS..THydrogen-bonded Turntrans78.510.2-177.900000114.2P58 L85P58-G88 WeakPolarHBondContact CB-O 3.17Å; L85-G88 PolarHBondContact O-N 2.8Å
89V98.6Very high98.4Very high4 Ų446.2 Ų46.22%0.02428%0.276CS..  trans-64.3139.1172.6172.10000109.1P58 V61 L84 T87 V93 I125P58-V89 HydrophobicContact CB-CG2 4.12Å; V61-V89 HydrophobicContact CB-CG1 4.08Å; V61-V89 HydrophobicContact CB-CG2 3.9Å; V61-V89 HydrophobicContact CG1-CG1 4.13Å; V61-V89 HydrophobicContact CG1-CG2 4.08Å; V61-V89 HydrophobicContact CG2-CG2 4.07Å; L84-V89 HydrophobicContact CD1-CG1 4.27Å; L84-V89 HydrophobicContact CD2-CB 3.84Å; L84-V89 HydrophobicContact CD2-CG1 3.82Å; L84-V89 HydrophobicContact CG-CB 3.84Å; L84-V89 HydrophobicContact CG-CG1 3.73Å; L84-V89 PolarHBondContact O-N 2.74Å; T87-V89 VanDerWaalsContact C-N 3.29Å; T87-V89 WeakPolarHBondContact OG1-CG2 3.37Å; V89-V93 HydrophobicContact CG1-CB 3.66Å; V89-V93 HydrophobicContact CG1-CG1 3.73Å; V89-V93 HydrophobicContact CG1-CG2 3.75Å; V89-I125 HydrophobicContact CG2-CD1 4.39Å
90P98.5Very high98.4Very high34 Ų3449.6 Ų49.622%0.22129%0.288CS..  trans-54.8144.6-175.6-27.633.4000113.9P58 S92 V93P58-P90 WeakPolarHBondContact O-CD 3.48Å; P90-S92 PolarHBondContact O-N 2.94Å; P90-S92 VanDerWaalsContact O-N 3.11Å; P90-V93 HydrophobicContact CB-CG2 4.12Å; P90-V93 HydrophobicContact CG-CG2 4.4Å; P90-V93 WeakPolarHBondContact O-CB 3.47Å; P90-V93 PolarHBondContact O-N 2.76Å
91Q98.2Very high98.4Very high153 Ų15351.9 Ų51.972%0.71530%0.3SS*.THydrogen-bonded Turntrans-62.1-22.5-179.7-60.7-174.919.200113.3R81 L85 V93R81-Q91 PolarHBondContact NH1-O 3.36Å; R81-Q91 PolarHBondContact NH2-O 3.4Å; L85-Q91 HydrophobicContact CD2-CB 4.45Å; L85-Q91 HydrophobicContact CD2-CG 3.82Å; Q91-V93 PolarHBondContact O-N 2.75Å
92S98Very high98.4Very high111 Ų11149.2 Ų49.278%0.77629%0.292SS*.THydrogen-bonded Turntrans-70.3-17.6175.552.30000113.7P90P90-S92 PolarHBondContact O-N 2.94Å; P90-S92 VanDerWaalsContact O-N 3.11Å
93V98.6Very high98.3Very high14 Ų1445.9 Ų45.99%0.08528%0.277CS..SBendtrans-79.1133.5-177.6179.80000110V61 G62 R81 L84 V89 P90 Q91V61-V93 WeakPolarHBondContact O-CG2 3.33Å; G62-V93 VanDerWaalsContact C-CG1 3.44Å; G62-V93 WeakPolarHBondContact O-CG1 3.42Å; R81-V93 PolarHBondContact NH1-O 2.91Å; L84-V93 HydrophobicContact CD1-CB 4.17Å; L84-V93 HydrophobicContact CD1-CG1 3.94Å; L84-V93 WeakPolarHBondContact CD1-O 3.45Å; V89-V93 HydrophobicContact CG1-CB 3.66Å; V89-V93 HydrophobicContact CG1-CG1 3.73Å; V89-V93 HydrophobicContact CG1-CG2 3.75Å; P90-V93 HydrophobicContact CB-CG2 4.12Å; P90-V93 HydrophobicContact CG-CG2 4.4Å; P90-V93 WeakPolarHBondContact O-CB 3.47Å; P90-V93 PolarHBondContact O-N 2.76Å; Q91-V93 PolarHBondContact O-N 2.75Å
94P96.9Very high98.3Very high84 Ų8445.9 Ų45.955%0.54528%0.277SS..  trans-75.4153.5178.431.4-35.8000112.5V64 L84V64-P94 PolarHBondContact N-O 2.85Å; L84-P94 VanDerWaalsContact CD1-O 3.23Å; L84-P94 WeakPolarHBondContact CD1-O 3.47Å
95G98.2Very high98.3Very high31 Ų3145.9 Ų45.932%0.3228%0.277SS..EExtended strand (participates in β ladder)trans-126.5137.1170.800000110.7V64V64-G95 CarbonylContact O-C 3.49Å; V64-G95 VanDerWaalsContact O-CA 3.31Å; V64-G95 WeakPolarHBondContact O-CA 3.3Å
96L98.7Very high98.4Very high78 Ų7842.4 Ų42.441%0.40826%0.259SS..EExtended strand (participates in β ladder)trans-123125.6-177.6177.765.7000111.4V64 V65 F66 T80 V98V64-L96 PolarHBondContact O-N 2.99Å; V65-L96 WeakPolarHBondContact CA-O 3.34Å; V65-L96 HydrophobicContact CG1-CB 4.22Å; V65-L96 HydrophobicContact CG1-CD2 4.14Å; V65-L96 HydrophobicContact CG1-CG 4.25Å; V65-L96 HydrophobicContact CG2-CB 4.24Å; V65-L96 HydrophobicContact CG2-CD2 4.49Å; F66-L96 PolarHBondContact N-O 2.89Å; T80-L96 WeakPolarHBondContact CB-O 3.3Å; T80-L96 VanDerWaalsContact CG2-O 3.26Å; T80-L96 WeakPolarHBondContact CG2-O 3.25Å; T80-L96 PolarHBondContact OG1-O 3.09Å; L96-V98 HydrophobicContact CD2-CG1 3.7Å; L96-V98 HydrophobicContact CG-CG1 3.76Å
97I98.5Very high98.4Very high49 Ų4941.9 Ų41.925%0.25125%0.249SC..EExtended strand (participates in β ladder)trans-90.9133.2166.5-167.4174.1000109.2F66 N68 G76 L79 T80F66-I97 WeakPolarHBondContact O-CA 3.36Å; N68-I97 HydrophobicContact CB-CD1 4.06Å; N68-I97 HydrophobicContact CB-CG1 4.26Å; G76-I97 WeakPolarHBondContact O-CD1 3.22Å; L79-I97 HydrophobicContact CB-CD1 4.2Å; T80-I97 VanDerWaalsContact OG1-CA 3.27Å; T80-I97 WeakPolarHBondContact OG1-CA 3.46Å; T80-I97 WeakPolarHBondContact OG1-CB 3.33Å; T80-I97 PolarHBondContact OG1-N 3.26Å
98V98.6Very high98.4Very high17 Ų1741.4 Ų41.410%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-124.2139.7177.8-62.40000111.3V65 F66 G67 N68 L96 Q107V65-V98 HydrophobicContact CG1-CG1 3.8Å; V65-V98 HydrophobicContact CG1-CG2 3.98Å; F66-V98 PolarHBondContact O-N 2.83Å; G67-V98 VanDerWaalsContact CA-O 3.29Å; G67-V98 WeakPolarHBondContact CA-O 3.43Å; N68-V98 PolarHBondContact N-O 2.9Å; N68-V98 VanDerWaalsContact N-O 3.14Å; L96-V98 HydrophobicContact CD2-CG1 3.7Å; L96-V98 HydrophobicContact CG-CG1 3.76Å; V98-Q107 HydrophobicContact CB-CG 4.44Å; V98-Q107 HydrophobicContact CG2-CB 4.43Å; V98-Q107 HydrophobicContact CG2-CG 4.3Å
99N98.3Very high98.4Very high91 Ų9139.1 Ų39.149%0.48722%0.222SC..  trans-125.8107.9175-173.7-12.5000109.7A69 L101A69-N99 PolarHBondContact O-ND2 3.23Å; N99-L101 PolarHBondContact OD1-N 2.97Å
100R98.3Very high98.4Very high72 Ų7239 Ų3927%0.27222%0.221SC..  trans-124.643.9163.3-163.1-171.1-75.9-76-2.5108.9C102 G103 S104 Q107 I392R100-C102 PolarHBondContact O-N 2.88Å; R100-G103 WeakPolarHBondContact O-CA 3.25Å; R100-G103 PolarHBondContact O-N 2.86Å; R100-S104 PolarHBondContact N-OG 2.84Å; R100-S104 PolarHBondContact O-N 2.8Å; R100-Q107 HydrophobicContact CB-CB 4.22Å; R100-Q107 HydrophobicContact CB-CG 4.38Å; R100-Q107 VanDerWaalsContact CZ-OE1 3.31Å; R100-I392 HydrophobicContact CG-CD1 3.93Å; R100-I392 HydrophobicContact CG-CG2 4.26Å; R100-I392 WeakPolarHBondContact O-CG2 3.3Å
101L98Very high98.4Very high49 Ų4938.7 Ų38.726%0.25722%0.217SC..G310 helixtrans45.9-127.1-176.6-54.4172.5000111.6N99 G103 S104 I392 G393N99-L101 PolarHBondContact OD1-N 2.97Å; L101-G103 PolarHBondContact O-N 2.82Å; L101-S104 PolarHBondContact N-OG 2.79Å; L101-S104 WeakPolarHBondContact O-CB 3.5Å; L101-S104 PolarHBondContact O-N 3.06Å; L101-S104 PolarHBondContact O-OG 2.97Å; L101-I392 HydrophobicContact CB-CG2 3.93Å; L101-I392 HydrophobicContact CD1-CG2 4.42Å; L101-G393 WeakPolarHBondContact CD1-O 3.43Å
102C98.1Very high98.5Very high16 Ų1631.4 Ų31.411%0.10818%0.183CC..G310 helixtrans-55.4-22.4177.6-53.80000114.2R100 H361 C391R100-C102 PolarHBondContact O-N 2.88Å; C102-H361 PolarHBondContact SG-NE2 3.36Å; C102-H361 VanDerWaalsContact SG-NE2 3.37Å; C102-C391 VanDerWaalsContact CB-O 3.24Å; C102-C391 WeakPolarHBondContact CB-O 3.37Å
103G98.4Very high98.5Very high0 Ų026.1 Ų26.10%015%0.146CC..G310 helixtrans-900.2178.900000114.5R100 L101 G105 F106 Q107R100-G103 WeakPolarHBondContact O-CA 3.25Å; R100-G103 PolarHBondContact O-N 2.86Å; L101-G103 PolarHBondContact O-N 2.82Å; G103-G105 PolarHBondContact O-N 2.77Å; G103-F106 WeakPolarHBondContact O-CB 3.32Å; G103-F106 PolarHBondContact O-N 3.11Å; G103-F106 VanDerWaalsContact O-N 3.14Å; G103-Q107 WeakPolarHBondContact O-CB 3.42Å; G103-Q107 PolarHBondContact O-N 3.26Å
104S98.7Very high98.4Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-60.9-41.1-171.8-530000113R100 L101 F106 Q107 S108R100-S104 PolarHBondContact N-OG 2.84Å; R100-S104 PolarHBondContact O-N 2.8Å; L101-S104 PolarHBondContact N-OG 2.79Å; L101-S104 WeakPolarHBondContact O-CB 3.5Å; L101-S104 PolarHBondContact O-N 3.06Å; L101-S104 PolarHBondContact O-OG 2.97Å; S104-F106 VanDerWaalsContact C-N 3.33Å; S104-F106 PolarHBondContact O-N 3.24Å; S104-Q107 WeakPolarHBondContact O-CB 3.39Å; S104-Q107 PolarHBondContact O-N 2.88Å; S104-S108 PolarHBondContact O-N 2.85Å
105G98.8Very high98.4Very high0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-62-38.8176.500000112.9G103 S108 G364G103-G105 PolarHBondContact O-N 2.77Å; G105-S108 PolarHBondContact O-OG 2.94Å; G105-G364 VanDerWaalsContact CA-O 3.23Å; G105-G364 WeakPolarHBondContact CA-O 3.33Å; G105-G364 PolarHBondContact N-O 2.8Å
106F98.9Very high98.3Very high0 Ų026.1 Ų26.10%013%0.131CC..Hα-helixtrans-68.8-41.1172.8-69.4-77.5000111.7G103 S104 S108 V109 I110 I370 I371 A390 I398 I400G103-F106 WeakPolarHBondContact O-CB 3.32Å; G103-F106 PolarHBondContact O-N 3.11Å; G103-F106 VanDerWaalsContact O-N 3.14Å; S104-F106 VanDerWaalsContact C-N 3.33Å; S104-F106 PolarHBondContact O-N 3.24Å; F106-S108 VanDerWaalsContact C-N 3.26Å; F106-S108 PolarHBondContact O-N 3.08Å; F106-V109 PolarHBondContact O-N 2.83Å; F106-I110 PolarHBondContact O-N 3.31Å; F106-I370 HydrophobicContact CE1-CB 4.21Å; F106-I370 HydrophobicContact CE1-CG2 4.07Å; F106-I370 HydrophobicContact CE2-CD1 3.88Å; F106-I370 HydrophobicContact CZ-CB 3.75Å; F106-I370 HydrophobicContact CZ-CD1 3.54Å; F106-I370 HydrophobicContact CZ-CG1 4.14Å; F106-I370 HydrophobicContact CZ-CG2 3.82Å; F106-I371 HydrophobicContact CD1-CD1 3.81Å; F106-I371 HydrophobicContact CD1-CG1 4Å; F106-I371 HydrophobicContact CE1-CD1 4.3Å; F106-I371 HydrophobicContact CE1-CG1 3.97Å; F106-A390 HydrophobicContact CD2-CB 4.35Å; F106-A390 HydrophobicContact CE2-CB 3.74Å; F106-I398 HydrophobicContact CB-CD1 3.4Å; F106-I398 VanDerWaalsContact CB-CD1 3.4Å; F106-I398 HydrophobicContact CB-CG1 3.85Å; F106-I398 HydrophobicContact CB-CG2 4.08Å; F106-I398 HydrophobicContact CD2-CG2 3.64Å; F106-I398 HydrophobicContact CE2-CG2 4.27Å; F106-I398 HydrophobicContact CG-CD1 4.4Å; F106-I398 HydrophobicContact CG-CG1 4.38Å; F106-I398 HydrophobicContact CG-CG2 4.01Å; F106-I400 HydrophobicContact CD1-CD1 4.36Å; F106-I400 HydrophobicContact CD1-CG1 4.1Å; F106-I400 HydrophobicContact CD1-CG2 3.94Å; F106-I400 HydrophobicContact CE1-CD1 4.48Å; F106-I400 HydrophobicContact CE1-CG1 4.08Å
107Q98.9Very high98.1Very high18 Ų1824.2 Ų24.28%0.08412%0.121CC..Hα-helixtrans-61-36.9179.6-177.457.169.900111.3V98 R100 G103 S104 V109 I110 N111V98-Q107 HydrophobicContact CB-CG 4.44Å; V98-Q107 HydrophobicContact CG2-CB 4.43Å; V98-Q107 HydrophobicContact CG2-CG 4.3Å; R100-Q107 HydrophobicContact CB-CB 4.22Å; R100-Q107 HydrophobicContact CB-CG 4.38Å; R100-Q107 VanDerWaalsContact CZ-OE1 3.31Å; G103-Q107 WeakPolarHBondContact O-CB 3.42Å; G103-Q107 PolarHBondContact O-N 3.26Å; S104-Q107 WeakPolarHBondContact O-CB 3.39Å; S104-Q107 PolarHBondContact O-N 2.88Å; Q107-V109 VanDerWaalsContact C-N 3.32Å; Q107-V109 PolarHBondContact O-N 3.09Å; Q107-I110 WeakPolarHBondContact O-CB 3.25Å; Q107-I110 PolarHBondContact O-N 3.28Å; Q107-I110 VanDerWaalsContact O-N 3.12Å; Q107-N111 WeakPolarHBondContact CG-OD1 3.38Å; Q107-N111 PolarHBondContact NE2-OD1 2.95Å; Q107-N111 PolarHBondContact O-N 3.39Å; Q107-N111 PolarHBondContact O-OD1 3.2Å
108S98.9Very high98Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-57.8-42.517676.60000113.1V65 S104 G105 F106 I110 N111 V112 G127V65-S108 WeakPolarHBondContact O-CB 3.2Å; S104-S108 PolarHBondContact O-N 2.85Å; G105-S108 PolarHBondContact O-OG 2.94Å; F106-S108 VanDerWaalsContact C-N 3.26Å; F106-S108 PolarHBondContact O-N 3.08Å; S108-I110 VanDerWaalsContact C-N 3.33Å; S108-I110 PolarHBondContact O-N 2.96Å; S108-N111 PolarHBondContact O-N 2.91Å; S108-V112 PolarHBondContact O-N 3.11Å; S108-G127 VanDerWaalsContact CB-O 3.26Å; S108-G127 WeakPolarHBondContact CB-O 3.27Å; S108-G127 PolarHBondContact OG-N 3.05Å; S108-G127 PolarHBondContact OG-O 3.29Å
109V98.9Very high97.7Very high0 Ų027.9 Ų27.90%016%0.158CC..Hα-helixtrans-65.1-38.8176.5164.70000110.9F106 Q107 A113 A126 V269 M271 L288 I371F106-V109 PolarHBondContact O-N 2.83Å; Q107-V109 VanDerWaalsContact C-N 3.32Å; Q107-V109 PolarHBondContact O-N 3.09Å; V109-A113 WeakPolarHBondContact O-CB 3.41Å; V109-A113 PolarHBondContact O-N 3.44Å; V109-A126 HydrophobicContact CB-CB 4.24Å; V109-A126 HydrophobicContact CG2-CB 3.51Å; V109-V269 HydrophobicContact CG2-CG2 3.75Å; V109-M271 HydrophobicContact CB-SD 4.15Å; V109-M271 HydrophobicContact CG1-CE 3.86Å; V109-M271 HydrophobicContact CG1-SD 3.82Å; V109-M271 HydrophobicContact CG2-SD 4.06Å; V109-L288 HydrophobicContact CG1-CD1 4.43Å; V109-L288 HydrophobicContact CG1-CD2 3.77Å; V109-I371 HydrophobicContact CB-CD1 4.03Å; V109-I371 HydrophobicContact CG1-CD1 4.3Å; V109-I371 HydrophobicContact CG2-CD1 3.57Å
110I98.5Very high97.6Very high3 Ų329.3 Ų29.32%0.01517%0.166CC..Hα-helixtrans-64.1-41.6174.5-65.1170.7000110.9F106 Q107 S108 A113 Q114 W291 V293 I398F106-I110 PolarHBondContact O-N 3.31Å; Q107-I110 WeakPolarHBondContact O-CB 3.25Å; Q107-I110 PolarHBondContact O-N 3.28Å; Q107-I110 VanDerWaalsContact O-N 3.12Å; S108-I110 VanDerWaalsContact C-N 3.33Å; S108-I110 PolarHBondContact O-N 2.96Å; I110-A113 PolarHBondContact O-N 2.9Å; I110-Q114 HydrophobicContact CG2-CG 4.35Å; I110-Q114 WeakPolarHBondContact O-CB 3.08Å; I110-Q114 VanDerWaalsContact O-CG 3.24Å; I110-Q114 WeakPolarHBondContact O-CG 3.29Å; I110-Q114 PolarHBondContact O-N 2.96Å; I110-W291 HydrophobicContact CD1-CB 3.82Å; I110-W291 VanDerWaalsContact CD1-CD1 3.45Å; I110-W291 HydrophobicContact CD1-CG 3.68Å; I110-W291 HydrophobicContact CG1-CB 3.91Å; I110-W291 HydrophobicContact CG1-CD2 4.01Å; I110-W291 HydrophobicContact CG1-CG 3.59Å; I110-W291 HydrophobicContact CG2-CD2 4.32Å; I110-W291 HydrophobicContact CG2-CG 4.36Å; I110-W291 HydrophobicContact CG2-CZ2 4.21Å; I110-V293 HydrophobicContact CD1-CG2 4.08Å; I110-I398 HydrophobicContact CD1-CD1 3.58Å; I110-I398 HydrophobicContact CD1-CG1 4.27Å
111N98.7Very high97.6Very high26 Ų2626.7 Ų26.714%0.13916%0.158CC..Hα-helixtrans-65.6-44.9179-75.9107.8000112V65 Q107 S108 A113 Q114 D115V65-N111 HydrophobicContact CB-CB 4.48Å; V65-N111 HydrophobicContact CG1-CB 3.96Å; V65-N111 HydrophobicContact CG2-CB 4.13Å; Q107-N111 WeakPolarHBondContact CG-OD1 3.38Å; Q107-N111 PolarHBondContact NE2-OD1 2.95Å; Q107-N111 PolarHBondContact O-N 3.39Å; Q107-N111 PolarHBondContact O-OD1 3.2Å; S108-N111 PolarHBondContact O-N 2.91Å; N111-A113 VanDerWaalsContact C-N 3.3Å; N111-A113 PolarHBondContact O-N 2.95Å; N111-Q114 PolarHBondContact ND2-OE1 3.23Å; N111-Q114 WeakPolarHBondContact O-CA 3.36Å; N111-Q114 WeakPolarHBondContact O-CB 3.42Å; N111-Q114 PolarHBondContact O-N 2.87Å; N111-D115 PolarHBondContact O-N 3.36Å
112V98.7Very high97.6Very high0 Ų028.5 Ų28.50%017%0.169CC..Hα-helixtrans-61-41.6173.8174.80000111.2T63 V65 S108 Q114 D115 F116 A126 M271T63-V112 HydrophobicContact CG2-CB 4.42Å; T63-V112 HydrophobicContact CG2-CG1 4.08Å; T63-V112 HydrophobicContact CG2-CG2 4.01Å; V65-V112 HydrophobicContact CB-CG2 3.99Å; V65-V112 HydrophobicContact CG2-CG2 3.64Å; S108-V112 PolarHBondContact O-N 3.11Å; V112-Q114 VanDerWaalsContact C-N 3.28Å; V112-Q114 PolarHBondContact O-N 2.8Å; V112-D115 PolarHBondContact O-N 2.98Å; V112-F116 HydrophobicContact CG1-CD1 4.43Å; V112-F116 HydrophobicContact CG1-CE1 3.79Å; V112-F116 HydrophobicContact CG1-CE2 4.01Å; V112-F116 HydrophobicContact CG1-CZ 3.55Å; V112-F116 WeakPolarHBondContact O-CD1 3.38Å; V112-F116 WeakPolarHBondContact O-CG 3.49Å; V112-F116 PolarHBondContact O-N 2.87Å; V112-F116 VanDerWaalsContact O-N 3.09Å; V112-A126 HydrophobicContact CB-CB 4.37Å; V112-A126 HydrophobicContact CG2-CB 3.8Å; V112-M271 HydrophobicContact CB-SD 3.92Å; V112-M271 HydrophobicContact CG1-CB 3.99Å; V112-M271 HydrophobicContact CG1-CE 4.33Å; V112-M271 HydrophobicContact CG1-CG 4.44Å; V112-M271 HydrophobicContact CG1-SD 3.85Å
113A98Very high97.6Very high0 Ų027.8 Ų27.80%016%0.164CC..Hα-helixtrans-62.6-34.3174.100000112.7I17 V109 I110 N111 F116 L117 M271 L288 W291I17-A113 HydrophobicContact CD1-CB 3.79Å; I17-A113 HydrophobicContact CG2-CB 4.47Å; V109-A113 WeakPolarHBondContact O-CB 3.41Å; V109-A113 PolarHBondContact O-N 3.44Å; I110-A113 PolarHBondContact O-N 2.9Å; N111-A113 VanDerWaalsContact C-N 3.3Å; N111-A113 PolarHBondContact O-N 2.95Å; A113-F116 PolarHBondContact O-N 2.77Å; A113-L117 VanDerWaalsContact O-CG 3.23Å; A113-L117 WeakPolarHBondContact O-CG 3.48Å; A113-L117 PolarHBondContact O-N 2.73Å; A113-L117 VanDerWaalsContact O-N 3.07Å; A113-M271 HydrophobicContact CB-CE 4.24Å; A113-L288 HydrophobicContact CB-CD2 3.84Å; A113-W291 HydrophobicContact CB-CH2 3.95Å; A113-W291 HydrophobicContact CB-CZ3 3.99Å
114Q97Very high97.6Very high83 Ų8327.8 Ų27.839%0.38816%0.164SC..Hα-helixtrans-66.9-44.2174.7-75.3169-27.200111.4I110 N111 V112 F116 L117 T118I110-Q114 HydrophobicContact CG2-CG 4.35Å; I110-Q114 WeakPolarHBondContact O-CB 3.08Å; I110-Q114 VanDerWaalsContact O-CG 3.24Å; I110-Q114 WeakPolarHBondContact O-CG 3.29Å; I110-Q114 PolarHBondContact O-N 2.96Å; N111-Q114 PolarHBondContact ND2-OE1 3.23Å; N111-Q114 WeakPolarHBondContact O-CA 3.36Å; N111-Q114 WeakPolarHBondContact O-CB 3.42Å; N111-Q114 PolarHBondContact O-N 2.87Å; V112-Q114 VanDerWaalsContact C-N 3.28Å; V112-Q114 PolarHBondContact O-N 2.8Å; Q114-F116 PolarHBondContact O-N 2.67Å; Q114-L117 PolarHBondContact O-N 2.95Å; Q114-T118 PolarHBondContact O-N 3.22Å; Q114-T118 PolarHBondContact O-OG1 2.71Å; Q114-T118 VanDerWaalsContact O-OG1 3.04Å
115D97.1Very high97.6Very high39 Ų3927.8 Ų27.821%0.20916%0.164CC..Hα-helixtrans-58.4-36.4175.3-64.6-9.4000111.2T63 N111 V112 T118 G119 D120T63-D115 VanDerWaalsContact CB-OD2 3.3Å; T63-D115 WeakPolarHBondContact CB-OD2 3.49Å; T63-D115 HydrophobicContact CG2-CB 4.32Å; T63-D115 WeakPolarHBondContact CG2-OD2 3.31Å; T63-D115 PolarHBondContact OG1-OD2 3.05Å; N111-D115 PolarHBondContact O-N 3.36Å; V112-D115 PolarHBondContact O-N 2.98Å; D115-T118 WeakPolarHBondContact CA-OG1 3.44Å; D115-T118 PolarHBondContact O-OG1 3.02Å; D115-T118 VanDerWaalsContact O-OG1 3.11Å; D115-G119 PolarHBondContact O-N 3.15Å; D115-D120 HydrophobicContact CB-CB 4.36Å; D115-D120 PolarHBondContact O-N 3.37Å
116F97Very high97.6Very high7 Ų727.8 Ų27.83%0.03116%0.164CC..Hα-helixtrans-68.5-41.2174.4-66.2-5.5000112.6L15 I17 V112 A113 Q114 T118 G119 C121 M271 T273L15-F116 HydrophobicContact CD2-CB 4.36Å; I17-F116 HydrophobicContact CG1-CD2 4.29Å; I17-F116 HydrophobicContact CG2-CD2 3.92Å; I17-F116 HydrophobicContact CG2-CE2 4.18Å; V112-F116 HydrophobicContact CG1-CD1 4.43Å; V112-F116 HydrophobicContact CG1-CE1 3.79Å; V112-F116 HydrophobicContact CG1-CE2 4.01Å; V112-F116 HydrophobicContact CG1-CZ 3.55Å; V112-F116 WeakPolarHBondContact O-CD1 3.38Å; V112-F116 WeakPolarHBondContact O-CG 3.49Å; V112-F116 PolarHBondContact O-N 2.87Å; V112-F116 VanDerWaalsContact O-N 3.09Å; A113-F116 PolarHBondContact O-N 2.77Å; Q114-F116 PolarHBondContact O-N 2.67Å; F116-T118 VanDerWaalsContact C-N 3.34Å; F116-G119 PolarHBondContact O-N 2.91Å; F116-C121 WeakPolarHBondContact CD1-O 3.31Å; F116-M271 HydrophobicContact CE2-CB 3.77Å; F116-M271 HydrophobicContact CZ-CB 3.95Å; F116-M271 WeakPolarHBondContact CZ-O 3.37Å; F116-T273 HydrophobicContact CB-CG2 3.79Å; F116-T273 HydrophobicContact CD1-CG2 4.22Å; F116-T273 HydrophobicContact CD2-CG2 3.77Å; F116-T273 HydrophobicContact CE2-CG2 4.38Å; F116-T273 HydrophobicContact CG-CG2 3.67Å
117L94.7Very high97.6Very high38 Ų3827.9 Ų27.920%0.19916%0.164CC..Hα-helixtrans-71.1-29.2-179.3-70.1169000112.9C12 L15 I17 A113 Q114 G119 W291C12-L117 HydrophobicContact CB-CD1 3.93Å; L15-L117 HydrophobicContact CB-CD2 4.07Å; L15-L117 HydrophobicContact CD2-CD2 3.92Å; I17-L117 HydrophobicContact CD1-CD2 4.45Å; I17-L117 HydrophobicContact CD1-CG 4.29Å; A113-L117 VanDerWaalsContact O-CG 3.23Å; A113-L117 WeakPolarHBondContact O-CG 3.48Å; A113-L117 PolarHBondContact O-N 2.73Å; A113-L117 VanDerWaalsContact O-N 3.07Å; Q114-L117 PolarHBondContact O-N 2.95Å; L117-G119 VanDerWaalsContact C-N 3.32Å; L117-W291 HydrophobicContact CD1-CH2 3.84Å; L117-W291 HydrophobicContact CD1-CZ2 4.46Å
118T95.1Very high97.6Very high81 Ų8127 Ų2750%0.49716%0.16SC..Hα-helixtrans-82-13173.4510000112.8Q114 D115 F116 D120Q114-T118 PolarHBondContact O-N 3.22Å; Q114-T118 PolarHBondContact O-OG1 2.71Å; Q114-T118 VanDerWaalsContact O-OG1 3.04Å; D115-T118 WeakPolarHBondContact CA-OG1 3.44Å; D115-T118 PolarHBondContact O-OG1 3.02Å; D115-T118 VanDerWaalsContact O-OG1 3.11Å; F116-T118 VanDerWaalsContact C-N 3.34Å; T118-D120 PolarHBondContact OG1-OD2 2.94Å
119G93.9Very high97.6Very high62 Ų6227 Ų2764%0.63916%0.16SC*.THydrogen-bonded Turntrans80.222.3179.800000113.7D115 F116 L117D115-G119 PolarHBondContact O-N 3.15Å; F116-G119 PolarHBondContact O-N 2.91Å; L117-G119 VanDerWaalsContact C-N 3.32Å
120D95.7Very high97.6Very high121 Ų12127 Ų2765%0.64716%0.16SC*.SBendtrans-74.9-30.9180-69.2-44.4000112D115 T118D115-D120 HydrophobicContact CB-CB 4.36Å; D115-D120 PolarHBondContact O-N 3.37Å; T118-D120 PolarHBondContact OG1-OD2 2.94Å
121C97.4Very high97.6Very high17 Ų1726.9 Ų26.912%0.11516%0.159CC..  trans-160.9172.6172.463.20000112.3T63 F116T63-C121 VanDerWaalsContact CG2-SG 3.52Å; F116-C121 WeakPolarHBondContact CD1-O 3.31Å
122D97.9Very high97.6Very high88 Ų8825.8 Ų25.847%0.47115%0.154SC..SBendtrans-113.4-15.3-179.4-70.9-56.9000114.5A272 T273 A276D122-A272 CarbonylContact O-C 3.42Å; D122-A272 VanDerWaalsContact O-CA 3.28Å; D122-A272 WeakPolarHBondContact O-CA 3.23Å; D122-T273 HydrophobicContact CB-CG2 4.4Å; D122-T273 PolarHBondContact O-N 3.37Å; D122-T273 PolarHBondContact OD1-OG1 3.26Å; D122-T273 VanDerWaalsContact OD1-OG1 3.04Å; D122-A276 HydrophobicContact CB-CB 3.9Å
123I98.7Very high97.6Very high1 Ų127.1 Ų27.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-137.4134-179.8-63.5179.3000108.6V56 D60 V61 G62 V270 M271 A272 A276 L282V56-I123 HydrophobicContact CG1-CD1 4.3Å; V56-I123 HydrophobicContact CG1-CG2 3.72Å; V56-I123 HydrophobicContact CG2-CD1 4.36Å; V56-I123 HydrophobicContact CG2-CG2 4.42Å; D60-I123 HydrophobicContact CB-CD1 4Å; V61-I123 HydrophobicContact CG2-CG2 4.2Å; G62-I123 PolarHBondContact N-O 3.38Å; I123-V270 HydrophobicContact CG2-CG1 4.37Å; I123-M271 WeakPolarHBondContact CA-O 3.43Å; I123-A272 HydrophobicContact CG1-CB 4.14Å; I123-A276 HydrophobicContact CD1-CB 4.08Å; I123-A276 HydrophobicContact CG1-CB 3.71Å; I123-L282 HydrophobicContact CD1-CD1 4.49Å
124G98.8Very high97.6Very high0 Ų029.4 Ų29.40%017%0.172CC..EExtended strand (participates in β ladder)trans-148.3158.9-177.200000112.5T63 M271T63-G124 VanDerWaalsContact O-CA 3.28Å; T63-G124 WeakPolarHBondContact O-CA 3.34Å; G124-M271 PolarHBondContact N-O 3.11Å; G124-M271 PolarHBondContact O-N 2.96Å
125I98.9Very high97.7Very high0 Ų026.1 Ų26.10%016%0.16CC..EExtended strand (participates in β ladder)trans-111.3125.5174.3-53.4174.1000108A47 L51 V61 T63 V64 V65 F66 V89 A268 V269A47-I125 HydrophobicContact CB-CG2 4.22Å; L51-I125 HydrophobicContact CD1-CD1 3.76Å; L51-I125 HydrophobicContact CD2-CD1 3.99Å; L51-I125 HydrophobicContact CD2-CG1 4.41Å; L51-I125 HydrophobicContact CG-CD1 3.86Å; V61-I125 HydrophobicContact CG1-CD1 4.22Å; V61-I125 HydrophobicContact CG1-CG1 4.05Å; V61-I125 HydrophobicContact CG2-CD1 4.26Å; V61-I125 HydrophobicContact CG2-CG1 4.33Å; T63-I125 PolarHBondContact O-N 2.91Å; V64-I125 CarbonylContact C-O 3.6Å; V64-I125 WeakPolarHBondContact CA-O 3.46Å; V64-I125 HydrophobicContact CG1-CB 4.2Å; V64-I125 HydrophobicContact CG2-CB 4.21Å; V64-I125 HydrophobicContact CG2-CD1 4.16Å; V64-I125 HydrophobicContact CG2-CG1 4.4Å; V65-I125 PolarHBondContact N-O 3.24Å; F66-I125 HydrophobicContact CE2-CG2 4.01Å; V89-I125 HydrophobicContact CG2-CD1 4.39Å; I125-A268 HydrophobicContact CG2-CB 4.43Å; I125-V269 WeakPolarHBondContact CA-O 3.24Å
126A98.9Very high97.7Very high0 Ų027 Ų270%017%0.168CC..EExtended strand (participates in β ladder)trans-116.7154173.900000109.9V65 V109 V112 A268 V269 M271V65-A126 CarbonylContact O-C 3.51Å; V65-A126 VanDerWaalsContact O-CA 3.29Å; V65-A126 WeakPolarHBondContact O-CA 3.49Å; V109-A126 HydrophobicContact CB-CB 4.24Å; V109-A126 HydrophobicContact CG2-CB 3.51Å; V112-A126 HydrophobicContact CB-CB 4.37Å; V112-A126 HydrophobicContact CG2-CB 3.8Å; A126-A268 CarbonylContact O-C 3.58Å; A126-A268 VanDerWaalsContact O-CA 3.25Å; A126-A268 WeakPolarHBondContact O-CA 3.35Å; A126-V269 HydrophobicContact CB-CG2 3.86Å; A126-V269 PolarHBondContact N-O 2.6Å; A126-V269 PolarHBondContact O-N 2.61Å; A126-M271 HydrophobicContact CB-SD 3.88Å
127G98.8Very high97.7Very high1 Ų133.2 Ų33.21%0.0119%0.192CC..EExtended strand (participates in β ladder)trans176.1-165.9179.100000114.3V65 F66 G67 S108 A267V65-G127 PolarHBondContact O-N 3.2Å; V65-G127 VanDerWaalsContact O-N 3.08Å; F66-G127 WeakPolarHBondContact CA-O 3.44Å; G67-G127 PolarHBondContact N-O 2.92Å; S108-G127 VanDerWaalsContact CB-O 3.26Å; S108-G127 WeakPolarHBondContact CB-O 3.27Å; S108-G127 PolarHBondContact OG-N 3.05Å; S108-G127 PolarHBondContact OG-O 3.29Å; G127-A267 CarbonylContact C-O 3.49Å; G127-A267 WeakPolarHBondContact CA-O 3.35Å
128G98.9Very high97.8Very high0 Ų032.8 Ų32.80%019%0.194CC..EExtended strand (participates in β ladder)trans-161.6155170.400000111.6G67 A266 A267 G364 A365G67-G128 CarbonylContact O-C 3.55Å; G67-G128 WeakPolarHBondContact O-CA 3.26Å; G128-A266 CarbonylContact O-C 3.59Å; G128-A266 VanDerWaalsContact O-CA 3.25Å; G128-A266 WeakPolarHBondContact O-CA 3.39Å; G128-A267 PolarHBondContact N-O 2.97Å; G128-A267 PolarHBondContact O-N 3.04Å; G128-G364 WeakPolarHBondContact CA-O 3.35Å; G128-A365 WeakPolarHBondContact O-CB 3.45Å
129T98.9Very high97.9Very high0 Ų031 Ų310%018%0.182CC..EExtended strand (participates in β ladder)trans-145.7142.3-178.6-178.20000109.5P39 F66 G67 N68 L79 I83 G265P39-T129 VanDerWaalsContact C-OG1 3.31Å; P39-T129 VanDerWaalsContact CA-OG1 3.23Å; P39-T129 WeakPolarHBondContact CA-OG1 3.34Å; P39-T129 HydrophobicContact CB-CG2 3.96Å; P39-T129 WeakPolarHBondContact CB-OG1 3.33Å; P39-T129 WeakPolarHBondContact O-CG2 3.43Å; P39-T129 PolarHBondContact O-OG1 3.43Å; F66-T129 HydrophobicContact CD1-CG2 4.16Å; G67-T129 PolarHBondContact O-N 3.47Å; N68-T129 PolarHBondContact ND2-O 3.4Å; L79-T129 HydrophobicContact CD1-CG2 3.73Å; L79-T129 HydrophobicContact CD2-CG2 3.62Å; L79-T129 HydrophobicContact CG-CG2 4.13Å; I83-T129 HydrophobicContact CD1-CG2 4.25Å; T129-G265 WeakPolarHBondContact CA-O 3.42Å
130E98.5Very high97.9Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-145.1136.5175.2-155.170.1-101.400108.5M42 N68 A69 I70 M132 D264 G265 P362 G364M42-E130 VanDerWaalsContact CE-O 3.31Å; M42-E130 WeakPolarHBondContact CE-O 3.4Å; N68-E130 PolarHBondContact ND2-OE1 2.95Å; A69-E130 VanDerWaalsContact CB-OE2 3.3Å; A69-E130 WeakPolarHBondContact CB-OE2 3.31Å; A69-E130 PolarHBondContact N-OE2 3.32Å; I70-E130 WeakPolarHBondContact CB-OE1 3.2Å; I70-E130 PolarHBondContact N-OE1 3.48Å; E130-M132 HydrophobicContact CB-CG 4.46Å; E130-M132 HydrophobicContact CG-CG 3.47Å; E130-M132 VanDerWaalsContact CG-CG 3.47Å; E130-M132 HydrophobicContact CG-SD 4.38Å; E130-D264 CarbonylContact O-C 3.54Å; E130-D264 WeakPolarHBondContact O-CA 3.46Å; E130-G265 PolarHBondContact N-O 3.31Å; E130-G265 PolarHBondContact O-N 2.87Å; E130-P362 HydrophobicContact CB-CB 3.63Å; E130-G364 PolarHBondContact OE2-N 2.88Å
131N98.6Very high97.7Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-122.595.3159.3-171.1-50.7000106.5L34 T37 P39 M42 S72 T133 Q134 D264L34-N131 PolarHBondContact O-ND2 3.41Å; T37-N131 PolarHBondContact O-ND2 3.24Å; P39-N131 HydrophobicContact CB-CB 4.38Å; P39-N131 HydrophobicContact CG-CB 4.43Å; M42-N131 HydrophobicContact CE-CB 3.9Å; S72-N131 WeakPolarHBondContact CB-O 3.43Å; S72-N131 PolarHBondContact OG-O 3.08Å; N131-T133 VanDerWaalsContact C-N 3.28Å; N131-T133 WeakPolarHBondContact OD1-CA 3.41Å; N131-T133 WeakPolarHBondContact OD1-CB 3.43Å; N131-T133 PolarHBondContact OD1-N 3.39Å; N131-Q134 HydrophobicContact CB-CB 4.34Å; N131-Q134 PolarHBondContact O-N 3.48Å; N131-Q134 WeakPolarHBondContact OD1-CB 3.12Å; N131-Q134 WeakPolarHBondContact OD1-CG 3.49Å; N131-Q134 PolarHBondContact OD1-N 3.38Å; N131-D264 VanDerWaalsContact C-OD1 3.28Å; N131-D264 VanDerWaalsContact CA-OD1 3.31Å; N131-D264 WeakPolarHBondContact CA-OD1 3.32Å; N131-D264 PolarHBondContact OD1-OD1 3.27Å; N131-D264 VanDerWaalsContact OD1-OD1 3.08Å
132M98.7Very high97.5Very high3 Ų338.2 Ų38.22%0.01519%0.194CC..SBendtrans-74.8-24.4-179.5-61178.475.900111I70 E130 Q134 A135 L158 L162 V262 N263 D264 L363I70-M132 HydrophobicContact CD1-CG 4.48Å; E130-M132 HydrophobicContact CB-CG 4.46Å; E130-M132 HydrophobicContact CG-CG 3.47Å; E130-M132 VanDerWaalsContact CG-CG 3.47Å; E130-M132 HydrophobicContact CG-SD 4.38Å; M132-Q134 VanDerWaalsContact C-N 3.26Å; M132-Q134 PolarHBondContact O-N 3.1Å; M132-A135 VanDerWaalsContact O-CB 3.28Å; M132-A135 WeakPolarHBondContact O-CB 3.47Å; M132-A135 PolarHBondContact O-N 2.77Å; M132-L158 HydrophobicContact CB-CD1 3.89Å; M132-L158 HydrophobicContact CE-CD1 3.52Å; M132-L158 HydrophobicContact CG-CD1 4.39Å; M132-L162 HydrophobicContact CE-CD1 4.3Å; M132-L162 HydrophobicContact CE-CD2 4.33Å; M132-V262 HydrophobicContact CB-CG1 3.44Å; M132-V262 VanDerWaalsContact CB-CG1 3.44Å; M132-V262 HydrophobicContact CE-CG1 4.08Å; M132-V262 HydrophobicContact CE-CG2 4.44Å; M132-V262 HydrophobicContact CG-CG1 4.35Å; M132-V262 HydrophobicContact SD-CG1 4.15Å; M132-N263 WeakPolarHBondContact CB-O 3.39Å; M132-N263 VanDerWaalsContact CG-O 3.26Å; M132-N263 WeakPolarHBondContact CG-O 3.33Å; M132-D264 PolarHBondContact N-OD1 3.02Å; M132-L363 HydrophobicContact CE-CD1 4.14Å; M132-L363 HydrophobicContact CE-CD2 4.28Å; M132-L363 HydrophobicContact CE-CG 3.92Å; M132-L363 HydrophobicContact SD-CG 4.11Å
133T98.5Very high97.3Very high28 Ų2844.3 Ų44.317%0.17221%0.211CC..THydrogen-bonded Turntrans-61-34.8172.8-60.90000112.4Y30 G31 K35 N131 A135 D264Y30-T133 WeakPolarHBondContact CA-OG1 3.38Å; G31-T133 PolarHBondContact N-OG1 3.47Å; K35-T133 HydrophobicContact CB-CG2 3.59Å; N131-T133 VanDerWaalsContact C-N 3.28Å; N131-T133 WeakPolarHBondContact OD1-CA 3.41Å; N131-T133 WeakPolarHBondContact OD1-CB 3.43Å; N131-T133 PolarHBondContact OD1-N 3.39Å; T133-A135 VanDerWaalsContact C-N 3.34Å; T133-D264 VanDerWaalsContact CB-OD2 3.24Å; T133-D264 WeakPolarHBondContact CB-OD2 3.35Å; T133-D264 PolarHBondContact N-OD1 2.93Å; T133-D264 VanDerWaalsContact OG1-CG 3.31Å; T133-D264 PolarHBondContact OG1-OD1 3.21Å; T133-D264 PolarHBondContact OG1-OD2 2.88Å
134Q98.4Very high97.2Very high48 Ų4853.8 Ų53.822%0.22425%0.252CS..THydrogen-bonded Turntrans-895179.5-70.9-176.31.200113.8K35 S72 N131 M132K35-Q134 WeakPolarHBondContact O-CG 3.44Å; K35-Q134 PolarHBondContact O-NE2 3.4Å; S72-Q134 VanDerWaalsContact O-O 3.08Å; N131-Q134 HydrophobicContact CB-CB 4.34Å; N131-Q134 PolarHBondContact O-N 3.48Å; N131-Q134 WeakPolarHBondContact OD1-CB 3.12Å; N131-Q134 WeakPolarHBondContact OD1-CG 3.49Å; N131-Q134 PolarHBondContact OD1-N 3.38Å; M132-Q134 VanDerWaalsContact C-N 3.26Å; M132-Q134 PolarHBondContact O-N 3.1Å
135A98.2Very high96.8Very high15 Ų1556 Ų5612%0.12428%0.276CS..PPolyproline II helixtrans-53.1127.5177.800000110.5I70 M132 T133 L158I70-A135 HydrophobicContact CD1-CB 4.47Å; I70-A135 HydrophobicContact CG2-CB 4.01Å; M132-A135 VanDerWaalsContact O-CB 3.28Å; M132-A135 WeakPolarHBondContact O-CB 3.47Å; M132-A135 PolarHBondContact O-N 2.77Å; T133-A135 VanDerWaalsContact C-N 3.34Å; A135-L158 HydrophobicContact CB-CB 3.71Å; A135-L158 HydrophobicContact CB-CD1 4.42Å
136P97.5Very high96.5Very high57 Ų5760.6 Ų60.637%0.3730%0.304SS..PPolyproline II helixtrans-78.5160.7-173.432.1-36000111.1I157P136-I157 HydrophobicContact CG-CB 4.44Å; P136-I157 HydrophobicContact CG-CG1 4.28Å; P136-I157 WeakPolarHBondContact O-CB 3.37Å; P136-I157 WeakPolarHBondContact O-CG1 3.5Å; P136-I157 PolarHBondContact O-N 3.43Å
137Y97.6Very high96.1Very high137 Ų13768.8 Ų68.854%0.53734%0.339SS..EExtended strand (participates in β ladder)trans-86.1142.9156.3-69.5-89.9000109.7F154 E155 D156Y137-F154 HydrophobicContact CD1-CB 4.2Å; Y137-E155 CarbonylContact C-O 3.52Å; Y137-E155 VanDerWaalsContact CA-O 3.23Å; Y137-E155 WeakPolarHBondContact CA-O 3.21Å; Y137-D156 HydrophobicContact CD1-CB 3.93Å; Y137-D156 HydrophobicContact CE1-CB 3.47Å; Y137-D156 VanDerWaalsContact CE1-CB 3.47Å; Y137-D156 VanDerWaalsContact CE1-CG 3.48Å; Y137-D156 WeakPolarHBondContact CE1-OD2 3.4Å; Y137-D156 PolarHBondContact OH-OD2 3.36Å
138A96.4Very high95.8Very high29 Ų2977.6 Ų77.624%0.2439%0.385CS..EExtended strand (participates in β ladder)trans-104.4148.8168.600000110.7F154 E155 I157A138-F154 CarbonylContact O-C 3.56Å; A138-F154 WeakPolarHBondContact O-CA 3.33Å; A138-E155 HydrophobicContact CB-CB 4.33Å; A138-E155 PolarHBondContact N-O 2.88Å; A138-E155 PolarHBondContact O-N 2.93Å; A138-I157 HydrophobicContact CB-CD1 3.73Å; A138-I157 HydrophobicContact CB-CG1 4.11Å
139V96Very high95.6Very high43 Ų4381.2 Ų81.226%0.26142%0.422SS..EExtended strand (participates in β ladder)trans-130.9127.6171.253.80000108.4I142 Y152 F154V139-I142 HydrophobicContact CB-CD1 4.4Å; V139-I142 HydrophobicContact CG1-CD1 3.41Å; V139-I142 VanDerWaalsContact CG1-CD1 3.41Å; V139-I142 HydrophobicContact CG1-CG1 4.13Å; V139-I142 HydrophobicContact CG2-CD1 4.15Å; V139-I142 HydrophobicContact CG2-CG1 4.35Å; V139-I142 HydrophobicContact CG2-CG2 4.07Å; V139-Y152 HydrophobicContact CG2-CG 4.3Å; V139-F154 HydrophobicContact CB-CD1 3.97Å; V139-F154 HydrophobicContact CB-CE1 3.85Å; V139-F154 HydrophobicContact CB-CG 4.38Å; V139-F154 HydrophobicContact CB-CZ 4.13Å; V139-F154 HydrophobicContact CG1-CD1 4.46Å; V139-F154 HydrophobicContact CG1-CE1 3.93Å; V139-F154 HydrophobicContact CG1-CZ 4.26Å; V139-F154 HydrophobicContact CG2-CE2 4.44Å; V139-F154 HydrophobicContact CG2-CZ 4.4Å
140R94.1Very high95.3Very high138 Ų13883.6 Ų83.652%0.52144%0.439SS..  trans-97.6164-175.4-57.7-165.1-170.1-92.2-9111.5I142 E155R140-I142 VanDerWaalsContact C-N 3.26Å; R140-I142 PolarHBondContact O-N 3.47Å; R140-I142 VanDerWaalsContact O-N 3.15Å; R140-E155 WeakPolarHBondContact CD-OE1 3.14Å; R140-E155 IonicContact CZ-OE1 2.76Å; R140-E155 IonicContact CZ-OE2 3.86Å; R140-E155 IonicContact NE-OE1 3.22Å; R140-E155 PolarHBondContact NE-OE1 2.89Å; R140-E155 IonicContact NE-OE2 3.53Å; R140-E155 PolarHBondContact NE-OE2 3.34Å; R140-E155 IonicContact NH2-OE1 3.7Å; R140-E155 IonicContact NH2-OE2 2.6Å; R140-E155 PolarHBondContact NH2-OE2 2.81Å
141N91.4Very high95.1Very high152 Ų15290 Ų9081%0.81348%0.479SS*.SBendtrans62.418.8171-52.8-41.4000116.9
142I94.5Very high94.7Very high62 Ų6293.1 Ų93.132%0.31849%0.491SS..  trans-106.2-17.6176.660.7163000114.8V139 R140 F144 G145 Y152V139-I142 HydrophobicContact CB-CD1 4.4Å; V139-I142 HydrophobicContact CG1-CD1 3.41Å; V139-I142 VanDerWaalsContact CG1-CD1 3.41Å; V139-I142 HydrophobicContact CG1-CG1 4.13Å; V139-I142 HydrophobicContact CG2-CD1 4.15Å; V139-I142 HydrophobicContact CG2-CG1 4.35Å; V139-I142 HydrophobicContact CG2-CG2 4.07Å; R140-I142 VanDerWaalsContact C-N 3.26Å; R140-I142 PolarHBondContact O-N 3.47Å; R140-I142 VanDerWaalsContact O-N 3.15Å; I142-F144 PolarHBondContact O-N 3.19Å; I142-F144 VanDerWaalsContact O-N 3.11Å; I142-G145 PolarHBondContact O-N 3.31Å; I142-G145 VanDerWaalsContact O-N 3.14Å; I142-Y152 HydrophobicContact CG2-CD1 3.38Å; I142-Y152 HydrophobicContact CG2-CD2 3.84Å; I142-Y152 HydrophobicContact CG2-CE1 3.29Å; I142-Y152 HydrophobicContact CG2-CE2 3.75Å; I142-Y152 HydrophobicContact CG2-CG 3.66Å; I142-Y152 VanDerWaalsContact CG2-CZ 3.48Å
143R93.9Very high94.5Very high217 Ų217101.1 Ų101.182%0.81953%0.528SS*.THydrogen-bonded Turntrans-58.3-31-170.2-178169.1-65.2-149.7-0.1113.7
144F95.2Very high94.4Very high199 Ų199106.3 Ų106.387%0.87355%0.548SS*.THydrogen-bonded Turntrans-110.927.5-176.2-55.1-62.8000112.8I142I142-F144 PolarHBondContact O-N 3.19Å; I142-F144 VanDerWaalsContact O-N 3.11Å
145G91.1Very high94.3Very high48 Ų48106.2 Ų106.250%0.49555%0.548SS..  trans120.7156.5174.500000113.3I142I142-G145 PolarHBondContact O-N 3.31Å; I142-G145 VanDerWaalsContact O-N 3.14Å
146T92.2Very high94.3Very high96 Ų96107.6 Ų107.659%0.58955%0.553SS**  trans-119.5126.9176.1-67.20000108.7Y152T146-Y152 VanDerWaalsContact CA-OH 3.28Å; T146-Y152 WeakPolarHBondContact CA-OH 3.47Å; T146-Y152 HydrophobicContact CG2-CE2 3.65Å; T146-Y152 WeakPolarHBondContact CG2-OH 3.18Å; T146-Y152 PolarHBondContact OG1-OH 2.73Å
147K90.8Very high94.3Very high172 Ų172106.6 Ų106.675%0.74854%0.544SS*.  trans-81.7145.3174.7-62-179.5-179.5178.90109G149 S150K147-G149 PolarHBondContact O-N 2.69Å; K147-S150 WeakPolarHBondContact CB-OG 3.14Å; K147-S150 WeakPolarHBondContact O-CB 3.48Å; K147-S150 PolarHBondContact O-N 3.39Å; K147-S150 PolarHBondContact O-OG 3.31Å
148L93.5Very high94.3Very high186 Ų186100.8 Ų100.897%0.97452%0.522SS*.THydrogen-bonded Turntrans-55.7128.9172.8-178.767000109.5
149G93.5Very high94.3Very high75 Ų75106 Ų10677%0.77354%0.536SS*.THydrogen-bonded Turntrans81.94.2-178.600000115.5K147K147-G149 PolarHBondContact O-N 2.69Å
150S92.9Very high94.4Very high51 Ų51106.2 Ų106.236%0.35753%0.534SS..  trans-66.8136.8173.2-68.80000112.1K147 Y152K147-S150 WeakPolarHBondContact CB-OG 3.14Å; K147-S150 WeakPolarHBondContact O-CB 3.48Å; K147-S150 PolarHBondContact O-N 3.39Å; K147-S150 PolarHBondContact O-OG 3.31Å; S150-Y152 VanDerWaalsContact CB-CZ 3.44Å; S150-Y152 VanDerWaalsContact CB-OH 3.32Å; S150-Y152 WeakPolarHBondContact CB-OH 3.32Å
151T93.4Very high94.5Very high135 Ų135101.5 Ų101.583%0.82852%0.521SS*.  trans-105.1137.3166.6-59.10000108.2
152Y91.9Very high94.8Very high65 Ų6596 Ų9626%0.25549%0.492SS..  trans-121.3132.5-179.9-60.5-74.8000110.3V139 I142 T146 S150V139-Y152 HydrophobicContact CG2-CG 4.3Å; I142-Y152 HydrophobicContact CG2-CD1 3.38Å; I142-Y152 HydrophobicContact CG2-CD2 3.84Å; I142-Y152 HydrophobicContact CG2-CE1 3.29Å; I142-Y152 HydrophobicContact CG2-CE2 3.75Å; I142-Y152 HydrophobicContact CG2-CG 3.66Å; I142-Y152 VanDerWaalsContact CG2-CZ 3.48Å; T146-Y152 VanDerWaalsContact CA-OH 3.28Å; T146-Y152 WeakPolarHBondContact CA-OH 3.47Å; T146-Y152 HydrophobicContact CG2-CE2 3.65Å; T146-Y152 WeakPolarHBondContact CG2-OH 3.18Å; T146-Y152 PolarHBondContact OG1-OH 2.73Å; S150-Y152 VanDerWaalsContact CB-CZ 3.44Å; S150-Y152 VanDerWaalsContact CB-OH 3.32Å; S150-Y152 WeakPolarHBondContact CB-OH 3.32Å
153E93.8Very high95Very high171 Ų17194.3 Ų94.380%0.79948%0.484SS*.PPolyproline II helixtrans-85.5134.6172.7-64.1-175.4169.100109.5
154F96.1Very high95.2Very high136 Ų13685 Ų8560%0.59645%0.45SS*.EExtended strand (participates in β ladder)trans-95.5130.5172.7-77.3-103.9000108.9Y137 A138 V139Y137-F154 HydrophobicContact CD1-CB 4.2Å; A138-F154 CarbonylContact O-C 3.56Å; A138-F154 WeakPolarHBondContact O-CA 3.33Å; V139-F154 HydrophobicContact CB-CD1 3.97Å; V139-F154 HydrophobicContact CB-CE1 3.85Å; V139-F154 HydrophobicContact CB-CG 4.38Å; V139-F154 HydrophobicContact CB-CZ 4.13Å; V139-F154 HydrophobicContact CG1-CD1 4.46Å; V139-F154 HydrophobicContact CG1-CE1 3.93Å; V139-F154 HydrophobicContact CG1-CZ 4.26Å; V139-F154 HydrophobicContact CG2-CE2 4.44Å; V139-F154 HydrophobicContact CG2-CZ 4.4Å
155E96.7Very high95.2Very high47 Ų4781.6 Ų81.622%0.2244%0.435CS..EExtended strand (participates in β ladder)trans-92.8123.7176.3-69.7167.6-171.400109.1Y137 A138 R140 I157 E160Y137-E155 CarbonylContact C-O 3.52Å; Y137-E155 VanDerWaalsContact CA-O 3.23Å; Y137-E155 WeakPolarHBondContact CA-O 3.21Å; A138-E155 HydrophobicContact CB-CB 4.33Å; A138-E155 PolarHBondContact N-O 2.88Å; A138-E155 PolarHBondContact O-N 2.93Å; R140-E155 WeakPolarHBondContact CD-OE1 3.14Å; R140-E155 IonicContact CZ-OE1 2.76Å; R140-E155 IonicContact CZ-OE2 3.86Å; R140-E155 IonicContact NE-OE1 3.22Å; R140-E155 PolarHBondContact NE-OE1 2.89Å; R140-E155 IonicContact NE-OE2 3.53Å; R140-E155 PolarHBondContact NE-OE2 3.34Å; R140-E155 IonicContact NH2-OE1 3.7Å; R140-E155 IonicContact NH2-OE2 2.6Å; R140-E155 PolarHBondContact NH2-OE2 2.81Å; E155-I157 PolarHBondContact O-N 2.85Å; E155-E160 WeakPolarHBondContact CB-OE1 3.48Å; E155-E160 WeakPolarHBondContact CG-OE1 3.4Å
156D97.4Very high95.5Very high43 Ų4389 Ų8923%0.2345%0.45CS..EExtended strand (participates in β ladder)trans-80.9101.4175.5-166.3-32.7000109.8Y137 L158 W159 E160Y137-D156 HydrophobicContact CD1-CB 3.93Å; Y137-D156 HydrophobicContact CE1-CB 3.47Å; Y137-D156 VanDerWaalsContact CE1-CB 3.47Å; Y137-D156 VanDerWaalsContact CE1-CG 3.48Å; Y137-D156 WeakPolarHBondContact CE1-OD2 3.4Å; Y137-D156 PolarHBondContact OH-OD2 3.36Å; D156-L158 PolarHBondContact O-N 3.32Å; D156-L158 VanDerWaalsContact O-N 3.16Å; D156-L158 WeakPolarHBondContact OD1-CB 3.4Å; D156-L158 PolarHBondContact OD1-N 3.5Å; D156-L158 VanDerWaalsContact OD1-N 3.07Å; D156-W159 HydrophobicContact CB-CB 4.01Å; D156-W159 PolarHBondContact O-N 3.46Å; D156-W159 PolarHBondContact OD1-N 3.2Å; D156-E160 WeakPolarHBondContact O-CG 3.35Å; D156-E160 PolarHBondContact O-N 3.12Å
157I97.8Very high95.8Very high36 Ų3685.8 Ų85.819%0.18543%0.43CS..Hα-helixtrans-62.1-27-176.1-59.3-56.4000111.8I70 P136 A138 E155 E160 T161I70-I157 HydrophobicContact CG2-CG2 4.16Å; P136-I157 HydrophobicContact CG-CB 4.44Å; P136-I157 HydrophobicContact CG-CG1 4.28Å; P136-I157 WeakPolarHBondContact O-CB 3.37Å; P136-I157 WeakPolarHBondContact O-CG1 3.5Å; P136-I157 PolarHBondContact O-N 3.43Å; A138-I157 HydrophobicContact CB-CD1 3.73Å; A138-I157 HydrophobicContact CB-CG1 4.11Å; E155-I157 PolarHBondContact O-N 2.85Å; I157-E160 WeakPolarHBondContact CD1-OE2 3.41Å; I157-T161 WeakPolarHBondContact O-CB 3.37Å; I157-T161 PolarHBondContact O-N 2.78Å; I157-T161 PolarHBondContact O-OG1 3.29Å
158L97.9Very high96.1Very high15 Ų1587.9 Ų87.98%0.07943%0.433CS..Hα-helixtrans-61.4-50.3172.5178.659.2000110.4Y30 I70 M132 A135 D156 T161 L162 V262Y30-L158 HydrophobicContact CD2-CD2 4.5Å; Y30-L158 HydrophobicContact CE2-CD2 3.79Å; I70-L158 HydrophobicContact CD1-CD1 3.95Å; M132-L158 HydrophobicContact CB-CD1 3.89Å; M132-L158 HydrophobicContact CE-CD1 3.52Å; M132-L158 HydrophobicContact CG-CD1 4.39Å; A135-L158 HydrophobicContact CB-CB 3.71Å; A135-L158 HydrophobicContact CB-CD1 4.42Å; D156-L158 PolarHBondContact O-N 3.32Å; D156-L158 VanDerWaalsContact O-N 3.16Å; D156-L158 WeakPolarHBondContact OD1-CB 3.4Å; D156-L158 PolarHBondContact OD1-N 3.5Å; D156-L158 VanDerWaalsContact OD1-N 3.07Å; L158-T161 PolarHBondContact O-N 2.93Å; L158-L162 HydrophobicContact CD1-CD1 4.34Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.85Å; L158-V262 HydrophobicContact CD1-CG1 4.14Å; L158-V262 HydrophobicContact CD2-CG1 3.99Å
159W96.6Very high96.3Very high138 Ų13881.4 Ų81.452%0.52340%0.398SS..Hα-helixtrans-69.1-39.4-178.5-169.7-108.7000112.5D156 L162 T163 P170 F248D156-W159 HydrophobicContact CB-CB 4.01Å; D156-W159 PolarHBondContact O-N 3.46Å; D156-W159 PolarHBondContact OD1-N 3.2Å; W159-L162 CarbonylContact O-C 3.6Å; W159-L162 PolarHBondContact O-N 3.4Å; W159-T163 PolarHBondContact O-N 3.15Å; W159-T163 PolarHBondContact O-OG1 2.94Å; W159-P170 HydrophobicContact CZ2-CB 4.3Å; W159-F248 AromaticContact CH2-CE1 3.96Å; W159-F248 HydrophobicContact CH2-CE1 3.96Å
160E96.9Very high96.5Very high48 Ų4879.2 Ų79.222%0.22437%0.371CS..Hα-helixtrans-63.5-40.7176.4-66.1-163.5152.200111.8E155 D156 I157 L162 T163 F165E155-E160 WeakPolarHBondContact CB-OE1 3.48Å; E155-E160 WeakPolarHBondContact CG-OE1 3.4Å; D156-E160 WeakPolarHBondContact O-CG 3.35Å; D156-E160 PolarHBondContact O-N 3.12Å; I157-E160 WeakPolarHBondContact CD1-OE2 3.41Å; E160-L162 PolarHBondContact O-N 3.2Å; E160-T163 PolarHBondContact O-N 2.85Å; E160-F165 HydrophobicContact CB-CE2 3.95Å; E160-F165 HydrophobicContact CB-CZ 4.03Å; E160-F165 HydrophobicContact CG-CE2 4.35Å; E160-F165 HydrophobicContact CG-CZ 3.92Å
161T97.6Very high96.7Very high39 Ų3977.8 Ų77.824%0.23936%0.359CS..Hα-helixtrans-64-27.4176.7-57.80000112.2I70 I157 L158 T163 L363I70-T161 HydrophobicContact CD1-CG2 4.08Å; I70-T161 HydrophobicContact CG1-CG2 3.77Å; I157-T161 WeakPolarHBondContact O-CB 3.37Å; I157-T161 PolarHBondContact O-N 2.78Å; I157-T161 PolarHBondContact O-OG1 3.29Å; L158-T161 PolarHBondContact O-N 2.93Å; T161-T163 VanDerWaalsContact C-N 3.3Å; T161-L363 HydrophobicContact CG2-CD1 3.87Å
162L97.7Very high96.9Very high38 Ų3871.4 Ų71.420%0.19932%0.32CS..THydrogen-bonded Turntrans-91.511177.3-60.5176.3000112.9M132 L158 W159 E160 P170 M171 L363M132-L162 HydrophobicContact CE-CD1 4.3Å; M132-L162 HydrophobicContact CE-CD2 4.33Å; L158-L162 HydrophobicContact CD1-CD1 4.34Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.85Å; W159-L162 CarbonylContact O-C 3.6Å; W159-L162 PolarHBondContact O-N 3.4Å; E160-L162 PolarHBondContact O-N 3.2Å; L162-P170 WeakPolarHBondContact O-CA 3.39Å; L162-M171 WeakPolarHBondContact O-CG 3.49Å; L162-M171 PolarHBondContact O-N 3.01Å; L162-L363 HydrophobicContact CD2-CD1 4.06Å; L162-L363 HydrophobicContact CD2-CD2 4.25Å
163T98Very high97.2Very high25 Ų2571.1 Ų71.115%0.15332%0.321CS..EExtended strand (participates in β ladder)trans-125.8123.1178.6-58.40000110.7W159 E160 T161 F165W159-T163 PolarHBondContact O-N 3.15Å; W159-T163 PolarHBondContact O-OG1 2.94Å; E160-T163 PolarHBondContact O-N 2.85Å; T161-T163 VanDerWaalsContact C-N 3.3Å; T163-F165 HydrophobicContact CG2-CZ 4.44Å; T163-F165 WeakPolarHBondContact O-CD2 3.39Å; T163-F165 PolarHBondContact O-N 3.12Å
164D97.8Very high97.4Very high21 Ų2163.1 Ų63.111%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-84.2111171-175.4-34.2000108.7Y166 V167 R168 M169 M171 G394D164-Y166 VanDerWaalsContact C-N 3.34Å; D164-Y166 WeakPolarHBondContact OD1-CA 3.41Å; D164-Y166 VanDerWaalsContact OD1-CB 3.29Å; D164-Y166 WeakPolarHBondContact OD1-CB 3.27Å; D164-Y166 PolarHBondContact OD1-N 3.26Å; D164-V167 HydrophobicContact CB-CG2 3.76Å; D164-V167 PolarHBondContact OD1-N 3.11Å; D164-R168 CarbonylContact O-C 3.42Å; D164-R168 WeakPolarHBondContact O-CA 3.48Å; D164-R168 PolarHBondContact O-N 2.84Å; D164-M169 PolarHBondContact N-O 2.92Å; D164-M169 PolarHBondContact O-N 2.85Å; D164-M171 HydrophobicContact CB-CE 3.67Å; D164-G394 VanDerWaalsContact OD2-CA 3.27Å; D164-G394 WeakPolarHBondContact OD2-CA 3.31Å; D164-G394 PolarHBondContact OD2-N 3.5Å
165F96.6Very high97.5Very high129 Ų12956.7 Ų56.757%0.56626%0.256SS*.THydrogen-bonded Turntrans-76.8-18-178.9-70-86.4000114E160 T163 R168E160-F165 HydrophobicContact CB-CE2 3.95Å; E160-F165 HydrophobicContact CB-CZ 4.03Å; E160-F165 HydrophobicContact CG-CE2 4.35Å; E160-F165 HydrophobicContact CG-CZ 3.92Å; T163-F165 HydrophobicContact CG2-CZ 4.44Å; T163-F165 WeakPolarHBondContact O-CD2 3.39Å; T163-F165 PolarHBondContact O-N 3.12Å; F165-R168 WeakPolarHBondContact O-CG 3.31Å
166Y97.5Very high97.6Very high203 Ų20354.5 Ų54.580%0.79625%0.246SC*.THydrogen-bonded Turntrans-71-48175.1177.9-101.8000110.2D164D164-Y166 VanDerWaalsContact C-N 3.34Å; D164-Y166 WeakPolarHBondContact OD1-CA 3.41Å; D164-Y166 VanDerWaalsContact OD1-CB 3.29Å; D164-Y166 WeakPolarHBondContact OD1-CB 3.27Å; D164-Y166 PolarHBondContact OD1-N 3.26Å
167V97.4Very high97.6Very high29 Ų2956.8 Ų56.818%0.17625%0.254CS..THydrogen-bonded Turntrans-90.9-5.7174.5-60.30000114.2D164 M169 P298 T299D164-V167 HydrophobicContact CB-CG2 3.76Å; D164-V167 PolarHBondContact OD1-N 3.11Å; V167-M169 HydrophobicContact CG2-CB 4.07Å; V167-M169 HydrophobicContact CG2-CG 4.23Å; V167-M169 PolarHBondContact O-N 3.4Å; V167-P298 HydrophobicContact CG1-CB 3.77Å; V167-P298 HydrophobicContact CG1-CG 4.21Å; V167-P298 HydrophobicContact CG2-CB 4.34Å; V167-T299 HydrophobicContact CB-CG2 3.83Å; V167-T299 HydrophobicContact CG1-CG2 3.66Å; V167-T299 HydrophobicContact CG2-CG2 4.35Å
168R97.4Very high97.6Very high216 Ų21655 Ų5582%0.81525%0.245SC*.THydrogen-bonded Turntrans56.244.4-179.3-53.7178.9-176.2-179.30.1112.8D164 F165D164-R168 CarbonylContact O-C 3.42Å; D164-R168 WeakPolarHBondContact O-CA 3.48Å; D164-R168 PolarHBondContact O-N 2.84Å; F165-R168 WeakPolarHBondContact O-CG 3.31Å
169M97Very high97.6Very high49 Ų4954.3 Ų54.324%0.24124%0.241CC..EExtended strand (participates in β ladder)trans-129.2130.1-179.5-64.3-174.7-16700111.5D164 V167 M173 T174 T299D164-M169 PolarHBondContact N-O 2.92Å; D164-M169 PolarHBondContact O-N 2.85Å; V167-M169 HydrophobicContact CG2-CB 4.07Å; V167-M169 HydrophobicContact CG2-CG 4.23Å; V167-M169 PolarHBondContact O-N 3.4Å; M169-M173 HydrophobicContact CB-CB 4.32Å; M169-T174 HydrophobicContact CB-CG2 4.08Å; M169-T299 HydrophobicContact CE-CG2 3.92Å; M169-T299 HydrophobicContact SD-CG2 4.23Å
170P97.4Very high97.7Very high29 Ų2951.1 Ų51.119%0.18824%0.244CC..EExtended strand (participates in β ladder)trans-64.6150.5162.829.2-33.5000109.6W159 L162 G172 M173 T174 F248W159-P170 HydrophobicContact CZ2-CB 4.3Å; L162-P170 WeakPolarHBondContact O-CA 3.39Å; P170-G172 PolarHBondContact O-N 2.7Å; P170-G172 VanDerWaalsContact O-N 3.09Å; P170-M173 HydrophobicContact CG-CB 4.02Å; P170-M173 HydrophobicContact CG-CG 3.67Å; P170-M173 WeakPolarHBondContact O-CB 3.45Å; P170-M173 PolarHBondContact O-N 3.02Å; P170-T174 PolarHBondContact O-N 3.21Å; P170-F248 HydrophobicContact CB-CD1 4.37Å; P170-F248 HydrophobicContact CB-CE1 4.3Å; P170-F248 HydrophobicContact CG-CD1 4.16Å
171M97.8Very high97.7Very high22 Ų2254.9 Ų54.911%0.10826%0.26CS..Hα-helixtrans-55.8-35.1-175.3-64.3-57.592.100112.4L162 D164 M173 T174 A175 M301 F332L162-M171 WeakPolarHBondContact O-CG 3.49Å; L162-M171 PolarHBondContact O-N 3.01Å; D164-M171 HydrophobicContact CB-CE 3.67Å; M171-M173 VanDerWaalsContact C-N 3.3Å; M171-M173 PolarHBondContact O-N 2.82Å; M171-T174 HydrophobicContact CE-CG2 4.38Å; M171-T174 WeakPolarHBondContact O-CB 3.33Å; M171-T174 PolarHBondContact O-N 2.88Å; M171-T174 VanDerWaalsContact O-N 3.1Å; M171-T174 PolarHBondContact O-OG1 3.21Å; M171-A175 PolarHBondContact O-N 3.37Å; M171-A175 VanDerWaalsContact O-N 3.14Å; M171-M301 HydrophobicContact CB-CE 4.11Å; M171-M301 HydrophobicContact CG-CE 4.19Å; M171-M301 HydrophobicContact SD-CE 3.4Å; M171-M301 WeakPolarHBondContact SD-CE 3.06Å; M171-M301 HydrophobicContact SD-SD 4.35Å; M171-F332 HydrophobicContact CB-CE2 3.94Å; M171-F332 HydrophobicContact CB-CZ 4.23Å
172G97.5Very high97.7Very high1 Ų154.5 Ų54.51%0.0125%0.254CS..Hα-helixtrans-61-33.5174.700000114.3P170 A175 E176P170-G172 PolarHBondContact O-N 2.7Å; P170-G172 VanDerWaalsContact O-N 3.09Å; G172-A175 WeakPolarHBondContact O-CB 3.23Å; G172-A175 PolarHBondContact O-N 3.36Å; G172-E176 WeakPolarHBondContact O-CG 3.34Å; G172-E176 PolarHBondContact O-N 2.94Å
173M98.1Very high97.8Very high59 Ų5960.1 Ų60.129%0.29128%0.279SS..Hα-helixtrans-71.7-30.6174.3-76.5-59.9-66.300112.7M169 P170 M171 A175 E176 K177 F248 K249M169-M173 HydrophobicContact CB-CB 4.32Å; P170-M173 HydrophobicContact CG-CB 4.02Å; P170-M173 HydrophobicContact CG-CG 3.67Å; P170-M173 WeakPolarHBondContact O-CB 3.45Å; P170-M173 PolarHBondContact O-N 3.02Å; M171-M173 VanDerWaalsContact C-N 3.3Å; M171-M173 PolarHBondContact O-N 2.82Å; M173-A175 VanDerWaalsContact C-N 3.3Å; M173-E176 WeakPolarHBondContact O-CB 3.11Å; M173-E176 PolarHBondContact O-N 3.48Å; M173-E176 HydrophobicContact SD-CB 4.48Å; M173-E176 HydrophobicContact SD-CG 4.35Å; M173-K177 WeakPolarHBondContact O-CB 3.41Å; M173-K177 PolarHBondContact O-N 3.21Å; M173-F248 HydrophobicContact CG-CB 4.09Å; M173-F248 HydrophobicContact SD-CB 3.77Å; M173-F248 VanDerWaalsContact SD-O 3.34Å; M173-K249 HydrophobicContact CE-CB 4.29Å; M173-K249 HydrophobicContact CE-CD 4.43Å; M173-K249 HydrophobicContact SD-CB 3.89Å
174T98.1Very high97.8Very high2 Ų259.9 Ų59.91%0.01228%0.277CS..Hα-helixtrans-66.4-36.5171.776.10000111.1M169 P170 M171 K177 L178 M301M169-T174 HydrophobicContact CB-CG2 4.08Å; P170-T174 PolarHBondContact O-N 3.21Å; M171-T174 HydrophobicContact CE-CG2 4.38Å; M171-T174 WeakPolarHBondContact O-CB 3.33Å; M171-T174 PolarHBondContact O-N 2.88Å; M171-T174 VanDerWaalsContact O-N 3.1Å; M171-T174 PolarHBondContact O-OG1 3.21Å; T174-K177 PolarHBondContact O-N 2.97Å; T174-L178 VanDerWaalsContact O-CB 3.28Å; T174-L178 WeakPolarHBondContact O-CB 3.46Å; T174-L178 PolarHBondContact O-N 3.06Å; T174-M301 VanDerWaalsContact OG1-CE 3.27Å; T174-M301 WeakPolarHBondContact OG1-CE 3.48Å
175A98.3Very high97.8Very high1 Ų162.2 Ų62.21%0.00829%0.292CS..Hα-helixtrans-69.8-35.9175.600000112.3M171 G172 M173 G179 V254 F332 S334M171-A175 PolarHBondContact O-N 3.37Å; M171-A175 VanDerWaalsContact O-N 3.14Å; G172-A175 WeakPolarHBondContact O-CB 3.23Å; G172-A175 PolarHBondContact O-N 3.36Å; M173-A175 VanDerWaalsContact C-N 3.3Å; A175-G179 PolarHBondContact O-N 2.89Å; A175-V254 HydrophobicContact CB-CG2 4.13Å; A175-F332 HydrophobicContact CB-CB 3.67Å; A175-F332 HydrophobicContact CB-CD1 4.29Å; A175-F332 HydrophobicContact CB-CD2 3.55Å; A175-F332 HydrophobicContact CB-CE2 4.28Å; A175-F332 HydrophobicContact CB-CG 3.56Å; A175-S334 WeakPolarHBondContact CB-OG 3.39Å; A175-S334 PolarHBondContact O-OG 2.89Å
176E98.5Very high97.9Very high1 Ų158 Ų581%0.00527%0.272CS..Hα-helixtrans-63.4-45.2170.7-74.6-71.3175.900112.2G172 M173 G179 A180 F248 K249 G252 I253 V254G172-E176 WeakPolarHBondContact O-CG 3.34Å; G172-E176 PolarHBondContact O-N 2.94Å; M173-E176 WeakPolarHBondContact O-CB 3.11Å; M173-E176 PolarHBondContact O-N 3.48Å; M173-E176 HydrophobicContact SD-CB 4.48Å; M173-E176 HydrophobicContact SD-CG 4.35Å; E176-G179 PolarHBondContact O-N 3.07Å; E176-A180 PolarHBondContact O-N 3.04Å; E176-A180 VanDerWaalsContact O-N 3.12Å; E176-F248 HydrophobicContact CG-CB 4.42Å; E176-K249 HydrophobicContact CB-CD 3.99Å; E176-K249 HydrophobicContact CG-CD 3.97Å; E176-K249 HydrophobicContact CG-CG 4.14Å; E176-K249 WeakPolarHBondContact OE2-CE 3.49Å; E176-K249 IonicContact OE2-NZ 3.9Å; E176-K249 PolarHBondContact OE2-NZ 3.12Å; E176-G252 WeakPolarHBondContact OE1-CA 3.49Å; E176-I253 PolarHBondContact OE1-N 2.98Å; E176-I253 PolarHBondContact OE2-N 2.73Å; E176-I253 VanDerWaalsContact OE2-N 3.16Å; E176-V254 HydrophobicContact CG-CB 4.34Å; E176-V254 HydrophobicContact CG-CG2 3.93Å; E176-V254 WeakPolarHBondContact OE1-CB 3.41Å; E176-V254 PolarHBondContact OE1-N 3.29Å
177K98Very high97.9Very high91 Ų9154.7 Ų54.740%0.39626%0.264SS..Hα-helixtrans-64.7-43.9177.9-174.9179.5180-176.20111.4M173 T174 A180 K181 T299 I300M173-K177 WeakPolarHBondContact O-CB 3.41Å; M173-K177 PolarHBondContact O-N 3.21Å; T174-K177 PolarHBondContact O-N 2.97Å; K177-A180 PolarHBondContact O-N 3.19Å; K177-K181 PolarHBondContact O-N 2.94Å; K177-T299 VanDerWaalsContact NZ-CB 3.31Å; K177-T299 PolarHBondContact NZ-OG1 2.85Å; K177-I300 HydrophobicContact CD-CG2 4.18Å; K177-I300 HydrophobicContact CG-CG2 4.29Å
178L97.6Very high98Very high0 Ų055.9 Ų55.90%027%0.267CS..Hα-helixtrans-64.8-41177.9-175.662.9000111.5T174 A180 K181 Y182 I300 I303 Q335 A338T174-L178 VanDerWaalsContact O-CB 3.28Å; T174-L178 WeakPolarHBondContact O-CB 3.46Å; T174-L178 PolarHBondContact O-N 3.06Å; L178-A180 VanDerWaalsContact C-N 3.34Å; L178-A180 PolarHBondContact O-N 3.07Å; L178-K181 PolarHBondContact O-N 3.35Å; L178-Y182 HydrophobicContact CD1-CD2 3.49Å; L178-Y182 VanDerWaalsContact CD1-CD2 3.49Å; L178-Y182 HydrophobicContact CD1-CE2 3.46Å; L178-Y182 VanDerWaalsContact CD1-CE2 3.46Å; L178-Y182 HydrophobicContact CG-CD2 4.2Å; L178-Y182 PolarHBondContact O-N 3.41Å; L178-I300 HydrophobicContact CD1-CB 4.21Å; L178-I303 HydrophobicContact CD1-CB 3.96Å; L178-I303 HydrophobicContact CD2-CB 4.39Å; L178-Q335 HydrophobicContact CD2-CB 4.41Å; L178-Q335 HydrophobicContact CD2-CG 4.42Å; L178-A338 HydrophobicContact CD1-CB 4.08Å; L178-A338 HydrophobicContact CD2-CB 3.79Å; L178-A338 HydrophobicContact CG-CB 3.67Å
179G98Very high98Very high0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-57.6-45.117400000112.6A175 E176 Y182 E183 I184A175-G179 PolarHBondContact O-N 2.89Å; E176-G179 PolarHBondContact O-N 3.07Å; G179-Y182 PolarHBondContact O-N 2.88Å; G179-E183 PolarHBondContact O-N 2.61Å; G179-I184 PolarHBondContact O-N 2.89Å
180A97.9Very high98.1Very high71 Ų7143.8 Ų43.859%0.58722%0.22SC*.Hα-helixtrans-62.1-43.6174.700000112.3E176 K177 L178 Y182 E183E176-A180 PolarHBondContact O-N 3.04Å; E176-A180 VanDerWaalsContact O-N 3.12Å; K177-A180 PolarHBondContact O-N 3.19Å; L178-A180 VanDerWaalsContact C-N 3.34Å; L178-A180 PolarHBondContact O-N 3.07Å; A180-Y182 VanDerWaalsContact C-N 3.3Å; A180-Y182 PolarHBondContact O-N 2.99Å; A180-E183 PolarHBondContact O-N 3.26Å
181K98Very high98.2Very high126 Ų12647.1 Ų47.155%0.54823%0.233SC..Hα-helixtrans-61.4-36.5179-179.9177.1177.4-178.20113K177 L178 I300K177-K181 PolarHBondContact O-N 2.94Å; L178-K181 PolarHBondContact O-N 3.35Å; K181-I300 HydrophobicContact CD-CD1 4.44Å; K181-I300 HydrophobicContact CD-CG2 4.46Å
182Y98.3Very high98.2Very high31 Ų3146 Ų4612%0.12223%0.227CC..THydrogen-bonded Turntrans-97.75.7-178.3-81-95.7000113.6L178 G179 A180 I184 I303 A338 K341 E342L178-Y182 HydrophobicContact CD1-CD2 3.49Å; L178-Y182 VanDerWaalsContact CD1-CD2 3.49Å; L178-Y182 HydrophobicContact CD1-CE2 3.46Å; L178-Y182 VanDerWaalsContact CD1-CE2 3.46Å; L178-Y182 HydrophobicContact CG-CD2 4.2Å; L178-Y182 PolarHBondContact O-N 3.41Å; G179-Y182 PolarHBondContact O-N 2.88Å; A180-Y182 VanDerWaalsContact C-N 3.3Å; A180-Y182 PolarHBondContact O-N 2.99Å; Y182-I184 PolarHBondContact O-N 3.08Å; Y182-I303 HydrophobicContact CE1-CD1 4.21Å; Y182-I303 HydrophobicContact CE2-CD1 3.92Å; Y182-I303 HydrophobicContact CE2-CG1 4.17Å; Y182-I303 WeakPolarHBondContact OH-CD1 3.33Å; Y182-I303 WeakPolarHBondContact OH-CG1 3.42Å; Y182-A338 HydrophobicContact CD1-CB 4.16Å; Y182-A338 HydrophobicContact CD2-CB 3.77Å; Y182-A338 HydrophobicContact CE2-CB 4.27Å; Y182-A338 HydrophobicContact CG-CB 3.71Å; Y182-K341 HydrophobicContact CD1-CD 4.33Å; Y182-K341 PolarHBondContact O-NZ 3.41Å; Y182-E342 HydrophobicContact CE1-CB 3.97Å; Y182-E342 WeakPolarHBondContact CE1-OE2 3.26Å; Y182-E342 VanDerWaalsContact CZ-OE2 3.29Å; Y182-E342 PolarHBondContact OH-OE2 3.47Å
183E98.1Very high98.3Very high157 Ų15746 Ų4673%0.73423%0.227SC*.THydrogen-bonded Turntrans55.539.8-178.3-53.8172.3122.800112.3G179 A180 K341G179-E183 PolarHBondContact O-N 2.61Å; A180-E183 PolarHBondContact O-N 3.26Å; E183-K341 IonicContact OE2-NZ 3.83Å
184I98.5Very high98.3Very high20 Ų2045.5 Ų45.510%0.10323%0.225CC..  trans-80.6124178.1-52.9-55.5000109.2G179 Y182 K188 I253 A337 K341G179-I184 PolarHBondContact O-N 2.89Å; Y182-I184 PolarHBondContact O-N 3.08Å; I184-K188 HydrophobicContact CG2-CB 4.31Å; I184-K188 HydrophobicContact CG2-CG 4.33Å; I184-I253 HydrophobicContact CB-CD1 4.44Å; I184-I253 WeakPolarHBondContact O-CD1 3.33Å; I184-A337 HydrophobicContact CD1-CB 3.79Å; I184-A337 HydrophobicContact CG1-CB 4Å; I184-A337 HydrophobicContact CG2-CB 3.72Å; I184-K341 HydrophobicContact CD1-CD 4.36Å
185T98.1Very high98.3Very high70 Ų7047.2 Ų47.243%0.42923%0.231SC..  trans-84.5161.2179.870.70000112.2E187 K188 C189T185-E187 VanDerWaalsContact C-N 3.28Å; T185-E187 WeakPolarHBondContact CB-OE2 3.23Å; T185-E187 PolarHBondContact O-N 3.18Å; T185-E187 PolarHBondContact OG1-OE2 2.92Å; T185-K188 PolarHBondContact O-N 2.98Å; T185-K188 PolarHBondContact OG1-N 2.88Å; T185-C189 PolarHBondContact O-N 2.95Å
186R98.2Very high98.4Very high39 Ų3947.3 Ų47.315%0.14723%0.232CC..Hα-helixtrans-60.3-41.1173.9172.457.4-167.5-81.2-10.4111.4K188 C189 D190 L241 L244 I253R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 2.94Å; R186-C189 WeakPolarHBondContact O-CB 3.24Å; R186-C189 PolarHBondContact O-N 2.88Å; R186-D190 IonicContact CZ-OD1 3.03Å; R186-D190 IonicContact CZ-OD2 3.76Å; R186-D190 VanDerWaalsContact NE-CG 3.27Å; R186-D190 IonicContact NE-OD1 3.49Å; R186-D190 PolarHBondContact NE-OD1 3.27Å; R186-D190 IonicContact NE-OD2 3.84Å; R186-D190 PolarHBondContact NE-OD2 3.22Å; R186-D190 IonicContact NH2-OD1 3.61Å; R186-D190 IonicContact NH2-OD2 2.87Å; R186-D190 PolarHBondContact NH2-OD2 3.39Å; R186-D190 PolarHBondContact O-N 2.88Å; R186-L241 PolarHBondContact NH2-O 2.83Å; R186-L244 PolarHBondContact NH1-O 2.87Å; R186-L244 PolarHBondContact NH2-O 2.76Å; R186-L244 VanDerWaalsContact NH2-O 3.08Å; R186-I253 HydrophobicContact CB-CB 4.38Å; R186-I253 HydrophobicContact CB-CG2 4.11Å; R186-I253 WeakPolarHBondContact CD-O 3.5Å
187E98.3Very high98.4Very high135 Ų13547.5 Ų47.563%0.63123%0.233SC*.Hα-helixtrans-61.7-41.5179.6-62.668.6-148.700110.6T185 D190 E191T185-E187 VanDerWaalsContact C-N 3.28Å; T185-E187 WeakPolarHBondContact CB-OE2 3.23Å; T185-E187 PolarHBondContact O-N 3.18Å; T185-E187 PolarHBondContact OG1-OE2 2.92Å; E187-D190 PolarHBondContact O-N 2.83Å; E187-E191 WeakPolarHBondContact O-CB 3.24Å; E187-E191 PolarHBondContact O-N 3.47Å
188K98.5Very high98.4Very high53 Ų5346.4 Ų46.423%0.2323%0.234CC..Hα-helixtrans-65.5-40.3176.4-177.757.3-178.5-179.70112.2I184 T185 R186 D190 E191 I192 E340I184-K188 HydrophobicContact CG2-CB 4.31Å; I184-K188 HydrophobicContact CG2-CG 4.33Å; T185-K188 PolarHBondContact O-N 2.98Å; T185-K188 PolarHBondContact OG1-N 2.88Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 2.94Å; K188-D190 VanDerWaalsContact C-N 3.33Å; K188-D190 PolarHBondContact O-N 3.14Å; K188-E191 WeakPolarHBondContact CD-OE2 3.31Å; K188-E191 IonicContact NZ-OE1 2.76Å; K188-E191 PolarHBondContact NZ-OE1 2.82Å; K188-E191 IonicContact NZ-OE2 2.85Å; K188-E191 PolarHBondContact NZ-OE2 3.03Å; K188-E191 PolarHBondContact O-N 2.76Å; K188-I192 HydrophobicContact CD-CD1 4.24Å; K188-I192 HydrophobicContact CD-CG1 4.48Å; K188-I192 HydrophobicContact CG-CD1 4.07Å; K188-I192 WeakPolarHBondContact O-CD1 3.34Å; K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 2.9Å; K188-E340 IonicContact NZ-OE2 2.96Å
189C98.7Very high98.5Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-59.8-44.3174.8-71.60000111.9T185 R186 I192 A193 N258 A333T185-C189 PolarHBondContact O-N 2.95Å; R186-C189 WeakPolarHBondContact O-CB 3.24Å; R186-C189 PolarHBondContact O-N 2.88Å; C189-I192 PolarHBondContact O-N 3.05Å; C189-A193 PolarHBondContact O-N 3.08Å; C189-N258 HydrophobicContact CB-CB 4.22Å; C189-A333 HydrophobicContact CB-CB 3.82Å; C189-A333 WeakPolarHBondContact O-CB 3.5Å
190D98.7Very high98.5Very high12 Ų1250 Ų506%0.06425%0.247CC..Hα-helixtrans-71.4-35.3-179.5-69.8-0.6000111.6R186 E187 K188 A193 L194 L241 A242 N258R186-D190 IonicContact CZ-OD1 3.03Å; R186-D190 IonicContact CZ-OD2 3.76Å; R186-D190 VanDerWaalsContact NE-CG 3.27Å; R186-D190 IonicContact NE-OD1 3.49Å; R186-D190 PolarHBondContact NE-OD1 3.27Å; R186-D190 IonicContact NE-OD2 3.84Å; R186-D190 PolarHBondContact NE-OD2 3.22Å; R186-D190 IonicContact NH2-OD1 3.61Å; R186-D190 IonicContact NH2-OD2 2.87Å; R186-D190 PolarHBondContact NH2-OD2 3.39Å; R186-D190 PolarHBondContact O-N 2.88Å; E187-D190 PolarHBondContact O-N 2.83Å; K188-D190 VanDerWaalsContact C-N 3.33Å; K188-D190 PolarHBondContact O-N 3.14Å; D190-A193 PolarHBondContact O-N 3.28Å; D190-L194 WeakPolarHBondContact O-CB 3.49Å; D190-L194 PolarHBondContact O-N 3.16Å; D190-L241 HydrophobicContact CB-CB 3.94Å; D190-L241 HydrophobicContact CB-CD1 4.39Å; D190-L241 WeakPolarHBondContact O-CD1 3.37Å; D190-A242 PolarHBondContact OD2-N 2.98Å; D190-N258 PolarHBondContact OD1-ND2 3.41Å
191E98.5Very high98.5Very high98 Ų9848.4 Ų48.446%0.45823%0.234SC..Hα-helixtrans-58.6-48170.9-176.2-153.3126.700111.6E187 K188 A193 L194 R195E187-E191 WeakPolarHBondContact O-CB 3.24Å; E187-E191 PolarHBondContact O-N 3.47Å; K188-E191 WeakPolarHBondContact CD-OE2 3.31Å; K188-E191 IonicContact NZ-OE1 2.76Å; K188-E191 PolarHBondContact NZ-OE1 2.82Å; K188-E191 IonicContact NZ-OE2 2.85Å; K188-E191 PolarHBondContact NZ-OE2 3.03Å; K188-E191 PolarHBondContact O-N 2.76Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.26Å; E191-L194 PolarHBondContact O-N 3.06Å; E191-R195 WeakPolarHBondContact O-CB 3.37Å; E191-R195 PolarHBondContact O-N 3.14Å
192I98.7Very high98.6Very high0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-61.2-43.1177.2-72.3159.2000110.7K188 C189 R195 S196 A333 Y336 A337 I357K188-I192 HydrophobicContact CD-CD1 4.24Å; K188-I192 HydrophobicContact CD-CG1 4.48Å; K188-I192 HydrophobicContact CG-CD1 4.07Å; K188-I192 WeakPolarHBondContact O-CD1 3.34Å; K188-I192 WeakPolarHBondContact O-CG1 3.47Å; K188-I192 PolarHBondContact O-N 2.9Å; C189-I192 PolarHBondContact O-N 3.05Å; I192-R195 WeakPolarHBondContact O-CB 3.44Å; I192-R195 PolarHBondContact O-N 3.11Å; I192-S196 WeakPolarHBondContact O-CB 3.3Å; I192-S196 PolarHBondContact O-N 3.17Å; I192-A333 HydrophobicContact CB-CB 4.2Å; I192-A333 HydrophobicContact CG2-CB 4.05Å; I192-Y336 HydrophobicContact CD1-CD1 3.9Å; I192-Y336 HydrophobicContact CD1-CE1 4.28Å; I192-Y336 HydrophobicContact CG1-CD1 4.26Å; I192-Y336 HydrophobicContact CG1-CE1 4.34Å; I192-Y336 HydrophobicContact CG2-CD1 3.78Å; I192-Y336 HydrophobicContact CG2-CE1 4.26Å; I192-Y336 HydrophobicContact CG2-CG 4.49Å; I192-A337 HydrophobicContact CD1-CB 3.52Å; I192-I357 HydrophobicContact CG2-CD1 4.18Å
193A98.8Very high98.6Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-63.2-45.2178.600000112.3C189 D190 E191 R195 S196 Q197 L241 G257 N258 I357C189-A193 PolarHBondContact O-N 3.08Å; D190-A193 PolarHBondContact O-N 3.28Å; E191-A193 VanDerWaalsContact C-N 3.32Å; E191-A193 PolarHBondContact O-N 3.26Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.42Å; A193-S196 PolarHBondContact O-N 3.15Å; A193-Q197 WeakPolarHBondContact O-CG 3.43Å; A193-Q197 PolarHBondContact O-N 3.06Å; A193-L241 HydrophobicContact CB-CD1 4.18Å; A193-L241 HydrophobicContact CB-CD2 4.39Å; A193-G257 WeakPolarHBondContact CB-O 3.35Å; A193-N258 HydrophobicContact CB-CB 3.79Å; A193-I357 HydrophobicContact CB-CG2 3.96Å
194L98.8Very high98.6Very high49 Ų4940.9 Ų40.926%0.25721%0.207SC..Hα-helixtrans-61.6-43.3175.4-179.360.1000111.2D190 E191 S196 Q197 T198 T236 A238 L241D190-L194 WeakPolarHBondContact O-CB 3.49Å; D190-L194 PolarHBondContact O-N 3.16Å; E191-L194 PolarHBondContact O-N 3.06Å; L194-S196 PolarHBondContact O-N 3.28Å; L194-Q197 PolarHBondContact O-N 3.46Å; L194-T198 VanDerWaalsContact O-CB 3.3Å; L194-T198 WeakPolarHBondContact O-CB 3.49Å; L194-T198 PolarHBondContact O-N 3.02Å; L194-T198 PolarHBondContact O-OG1 3.46Å; L194-T236 HydrophobicContact CD1-CG2 3.9Å; L194-A238 HydrophobicContact CD2-CB 4.3Å; L194-L241 HydrophobicContact CB-CD1 3.82Å
195R98.6Very high98.6Very high38 Ų3849.8 Ų49.814%0.14324%0.239CC..Hα-helixtrans-59.9-45176-177.9177.270-174.97.4111.4E191 I192 A193 T198 R199 Y336 E340E191-R195 WeakPolarHBondContact O-CB 3.37Å; E191-R195 PolarHBondContact O-N 3.14Å; I192-R195 WeakPolarHBondContact O-CB 3.44Å; I192-R195 PolarHBondContact O-N 3.11Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.42Å; R195-T198 PolarHBondContact O-N 3.35Å; R195-R199 HydrophobicContact CG-CG 4.46Å; R195-R199 WeakPolarHBondContact O-CB 3.43Å; R195-R199 VanDerWaalsContact O-CG 3.26Å; R195-R199 WeakPolarHBondContact O-CG 3.38Å; R195-R199 PolarHBondContact O-N 2.91Å; R195-Y336 PolarHBondContact NH2-OH 2.9Å; R195-Y336 VanDerWaalsContact NH2-OH 3.1Å; R195-E340 IonicContact CZ-OE1 2.92Å; R195-E340 IonicContact NH1-OE1 2.66Å; R195-E340 PolarHBondContact NH1-OE1 3.01Å; R195-E340 IonicContact NH2-OE1 3.33Å; R195-E340 PolarHBondContact NH2-OE1 2.94Å
196S98.8Very high98.6Very high2 Ų249.6 Ų49.61%0.01425%0.245CC..Hα-helixtrans-60.5-49.8178.6-167.40000111.4I192 A193 L194 T198 R199 W200 E330 G354 G355I192-S196 WeakPolarHBondContact O-CB 3.3Å; I192-S196 PolarHBondContact O-N 3.17Å; A193-S196 PolarHBondContact O-N 3.15Å; L194-S196 PolarHBondContact O-N 3.28Å; S196-T198 PolarHBondContact O-N 3.35Å; S196-R199 PolarHBondContact O-N 3.27Å; S196-W200 PolarHBondContact O-N 3.31Å; S196-E330 VanDerWaalsContact CB-OE2 3.3Å; S196-E330 WeakPolarHBondContact CB-OE2 3.29Å; S196-E330 PolarHBondContact OG-OE2 3.37Å; S196-G354 WeakPolarHBondContact O-CA 3.38Å; S196-G355 PolarHBondContact OG-N 3.5Å
197Q98.8Very high98.6Very high6 Ų648.4 Ų48.43%0.02825%0.245CC..Hα-helixtrans-62.6-43177.6-67.5-71.2-9.400112.4A193 L194 W200 A201 R234 T236 I357 A358A193-Q197 WeakPolarHBondContact O-CG 3.43Å; A193-Q197 PolarHBondContact O-N 3.06Å; L194-Q197 PolarHBondContact O-N 3.46Å; Q197-W200 PolarHBondContact O-N 3.49Å; Q197-A201 WeakPolarHBondContact O-CB 3.01Å; Q197-A201 PolarHBondContact O-N 3.38Å; Q197-R234 PolarHBondContact OE1-O 3.11Å; Q197-T236 HydrophobicContact CB-CG2 3.96Å; Q197-T236 HydrophobicContact CG-CG2 3.9Å; Q197-I357 PolarHBondContact NE2-O 3.08Å; Q197-A358 HydrophobicContact CG-CB 4.4Å
198T98.6Very high98.6Very high67 Ų6744 Ų4441%0.41122%0.224SC..Hα-helixtrans-64.7-44.5179.3-57.40000111.4L194 R195 S196 A201 L202L194-T198 VanDerWaalsContact O-CB 3.3Å; L194-T198 WeakPolarHBondContact O-CB 3.49Å; L194-T198 PolarHBondContact O-N 3.02Å; L194-T198 PolarHBondContact O-OG1 3.46Å; R195-T198 PolarHBondContact O-N 3.35Å; S196-T198 PolarHBondContact O-N 3.35Å; T198-A201 PolarHBondContact O-N 3.32Å; T198-L202 HydrophobicContact CG2-CD1 4.19Å; T198-L202 WeakPolarHBondContact O-CG 3.19Å; T198-L202 PolarHBondContact O-N 3.11Å
199R98.7Very high98.6Very high48 Ų4841.6 Ų41.618%0.18121%0.214CC..Hα-helixtrans-65.3-43178.6-75.3176.8174.5-174.7-4.6112.1R195 S196 A201 L202 A203 P347 T350 N351 N353R195-R199 HydrophobicContact CG-CG 4.46Å; R195-R199 WeakPolarHBondContact O-CB 3.43Å; R195-R199 VanDerWaalsContact O-CG 3.26Å; R195-R199 WeakPolarHBondContact O-CG 3.38Å; R195-R199 PolarHBondContact O-N 2.91Å; S196-R199 PolarHBondContact O-N 3.27Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 2.76Å; R199-L202 PolarHBondContact O-N 2.92Å; R199-A203 VanDerWaalsContact O-CB 3.32Å; R199-A203 WeakPolarHBondContact O-CB 3.17Å; R199-A203 PolarHBondContact O-N 3.2Å; R199-P347 PolarHBondContact NH1-O 3.28Å; R199-P347 PolarHBondContact NH2-O 3.42Å; R199-T350 PolarHBondContact NH1-O 2.9Å; R199-N351 WeakPolarHBondContact CD-O 3.25Å; R199-N351 PolarHBondContact NH1-O 2.84Å; R199-N353 CarbonylContact C-O 3.49Å
200W98.7Very high98.5Very high27 Ų2749.5 Ų49.510%0.10225%0.248CC..Hα-helixtrans-59.1-46.4173.6177.487.2000111.2S196 Q197 L202 A203 N204 F209 T229 D230 P233 N353 A358 I359S196-W200 PolarHBondContact O-N 3.31Å; Q197-W200 PolarHBondContact O-N 3.49Å; W200-L202 VanDerWaalsContact C-N 3.32Å; W200-L202 PolarHBondContact O-N 3.09Å; W200-A203 PolarHBondContact O-N 2.92Å; W200-N204 HydrophobicContact CD2-CB 4.3Å; W200-N204 HydrophobicContact CE3-CB 4.44Å; W200-N204 HydrophobicContact CH2-CB 4.1Å; W200-N204 WeakPolarHBondContact CH2-ND2 3.28Å; W200-N204 HydrophobicContact CZ2-CB 3.88Å; W200-N204 HydrophobicContact CZ3-CB 4.35Å; W200-N204 VanDerWaalsContact O-CB 3.23Å; W200-N204 WeakPolarHBondContact O-CB 3.34Å; W200-N204 PolarHBondContact O-N 2.71Å; W200-F209 AromaticContact CD1-CE2 3.5Å; W200-F209 VanDerWaalsContact CD1-CE2 3.5Å; W200-F209 AromaticContact CD1-CZ 3.74Å; W200-F209 HydrophobicContact CG-CE2 4.29Å; W200-F209 AromaticContact NE1-CE2 3.59Å; W200-T229 HydrophobicContact CH2-CG2 4.35Å; W200-T229 HydrophobicContact CZ2-CG2 4.24Å; W200-D230 HydrophobicContact CZ2-CB 3.99Å; W200-D230 PolarHBondContact NE1-OD2 3.02Å; W200-P233 HydrophobicContact CD2-CB 3.44Å; W200-P233 VanDerWaalsContact CD2-CB 3.44Å; W200-P233 HydrophobicContact CD2-CG 3.37Å; W200-P233 HydrophobicContact CE3-CB 3.19Å; W200-P233 HydrophobicContact CE3-CG 3.71Å; W200-P233 HydrophobicContact CG-CB 4.23Å; W200-P233 HydrophobicContact CG-CG 3.95Å; W200-P233 HydrophobicContact CH2-CB 3.61Å; W200-P233 HydrophobicContact CH2-CG 3.77Å; W200-P233 HydrophobicContact CZ2-CB 3.87Å; W200-P233 HydrophobicContact CZ2-CG 3.47Å; W200-P233 VanDerWaalsContact CZ2-CG 3.47Å; W200-P233 HydrophobicContact CZ3-CB 3.28Å; W200-P233 HydrophobicContact CZ3-CG 3.89Å; W200-N353 WeakPolarHBondContact CA-O 3.28Å; W200-N353 PolarHBondContact N-O 3.45Å; W200-A358 HydrophobicContact CB-CB 3.75Å; W200-A358 HydrophobicContact CG-CB 4.28Å; W200-I359 VanDerWaalsContact CD1-CG1 3.48Å; W200-I359 HydrophobicContact CG-CG1 4.38Å
201A98.7Very high98.5Very high38 Ų3854.1 Ų54.131%0.31427%0.273SS..Hα-helixtrans-61.8-39.6-17900000112.5Q197 T198 R199 R205Q197-A201 WeakPolarHBondContact O-CB 3.01Å; Q197-A201 PolarHBondContact O-N 3.38Å; T198-A201 PolarHBondContact O-N 3.32Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 2.76Å; A201-R205 VanDerWaalsContact O-CB 3.31Å; A201-R205 WeakPolarHBondContact O-CB 3.41Å; A201-R205 PolarHBondContact O-N 3.18Å
202L98.5Very high98.5Very high103 Ų10349.5 Ų49.554%0.53925%0.251SS..Hα-helixtrans-67.1-47.8175.4-70.2172000111.8T198 R199 W200 N204 R205 A206T198-L202 HydrophobicContact CG2-CD1 4.19Å; T198-L202 WeakPolarHBondContact O-CG 3.19Å; T198-L202 PolarHBondContact O-N 3.11Å; R199-L202 PolarHBondContact O-N 2.92Å; W200-L202 VanDerWaalsContact C-N 3.32Å; W200-L202 PolarHBondContact O-N 3.09Å; L202-N204 PolarHBondContact O-N 2.66Å; L202-R205 PolarHBondContact O-N 3.16Å; L202-A206 WeakPolarHBondContact O-CB 3.42Å; L202-A206 PolarHBondContact O-N 2.81Å
203A98.5Very high98.5Very high2 Ų250.4 Ų50.42%0.01726%0.255CS..Hα-helixtrans-62.8-42179.100000112R199 W200 A206 G207 H208 F209 N353R199-A203 VanDerWaalsContact O-CB 3.32Å; R199-A203 WeakPolarHBondContact O-CB 3.17Å; R199-A203 PolarHBondContact O-N 3.2Å; W200-A203 PolarHBondContact O-N 2.92Å; A203-A206 CarbonylContact O-C 3.52Å; A203-A206 PolarHBondContact O-N 3.31Å; A203-G207 PolarHBondContact O-N 3.46Å; A203-H208 HydrophobicContact CB-CB 4.13Å; A203-H208 WeakPolarHBondContact O-CB 3.31Å; A203-H208 PolarHBondContact O-N 3.13Å; A203-F209 HydrophobicContact CB-CE2 3.73Å; A203-F209 HydrophobicContact CB-CZ 3.77Å; A203-N353 HydrophobicContact CB-CB 3.67Å; A203-N353 WeakPolarHBondContact CB-OD1 3.23Å
204N98.4Very high98.4Very high52 Ų5251.4 Ų51.428%0.27826%0.262SS..Hα-helixtrans-63.5-47.2176.5-172.449.8000111.4W200 L202 A206 G207 F209W200-N204 HydrophobicContact CD2-CB 4.3Å; W200-N204 HydrophobicContact CE3-CB 4.44Å; W200-N204 HydrophobicContact CH2-CB 4.1Å; W200-N204 WeakPolarHBondContact CH2-ND2 3.28Å; W200-N204 HydrophobicContact CZ2-CB 3.88Å; W200-N204 HydrophobicContact CZ3-CB 4.35Å; W200-N204 VanDerWaalsContact O-CB 3.23Å; W200-N204 WeakPolarHBondContact O-CB 3.34Å; W200-N204 PolarHBondContact O-N 2.71Å; L202-N204 PolarHBondContact O-N 2.66Å; N204-A206 VanDerWaalsContact C-N 3.3Å; N204-A206 PolarHBondContact O-N 2.99Å; N204-G207 WeakPolarHBondContact O-CA 3.38Å; N204-G207 PolarHBondContact O-N 2.9Å; N204-F209 HydrophobicContact CB-CD2 4.15Å; N204-F209 HydrophobicContact CB-CE2 4.17Å
205R98.3Very high98.4Very high207 Ų20752.1 Ų52.178%0.78127%0.269SS*.Hα-helixtrans-61.2-38.6176.5-172.4-175.3-57.4174.12.9112.4A201 L202 G207A201-R205 VanDerWaalsContact O-CB 3.31Å; A201-R205 WeakPolarHBondContact O-CB 3.41Å; A201-R205 PolarHBondContact O-N 3.18Å; L202-R205 PolarHBondContact O-N 3.16Å; R205-G207 PolarHBondContact O-N 3.43Å
206A98.4Very high98.4Very high66 Ų6650.9 Ų50.955%0.54527%0.265SS..THydrogen-bonded Turntrans-76-5175.800000113.3L202 A203 N204 H208L202-A206 WeakPolarHBondContact O-CB 3.42Å; L202-A206 PolarHBondContact O-N 2.81Å; A203-A206 CarbonylContact O-C 3.52Å; A203-A206 PolarHBondContact O-N 3.31Å; N204-A206 VanDerWaalsContact C-N 3.3Å; N204-A206 PolarHBondContact O-N 2.99Å; A206-H208 WeakPolarHBondContact CB-CD2 3.4Å; A206-H208 VanDerWaalsContact CB-NE2 3.31Å; A206-H208 WeakPolarHBondContact CB-NE2 3.46Å
207G98.2Very high98.2Very high14 Ų1456.7 Ų56.714%0.14429%0.29CS..THydrogen-bonded Turntrans75.121.8177.300000114.7A203 N204 R205 F209 K210A203-G207 PolarHBondContact O-N 3.46Å; N204-G207 WeakPolarHBondContact O-CA 3.38Å; N204-G207 PolarHBondContact O-N 2.9Å; R205-G207 PolarHBondContact O-N 3.43Å; G207-F209 PolarHBondContact O-N 2.81Å; G207-K210 WeakPolarHBondContact O-CB 3.31Å; G207-K210 WeakPolarHBondContact O-CG 3.33Å; G207-K210 PolarHBondContact O-N 2.87Å
208H98.4Very high98.1Very high43 Ų4357 Ų5720%0.19929%0.292CS..THydrogen-bonded Turntrans-62.2-29.7-176.1-68.1-165.5000112.6A203 A206 N353 R380A203-H208 HydrophobicContact CB-CB 4.13Å; A203-H208 WeakPolarHBondContact O-CB 3.31Å; A203-H208 PolarHBondContact O-N 3.13Å; A206-H208 WeakPolarHBondContact CB-CD2 3.4Å; A206-H208 VanDerWaalsContact CB-NE2 3.31Å; A206-H208 WeakPolarHBondContact CB-NE2 3.46Å; H208-N353 PolarHBondContact ND1-OD1 2.81Å; H208-R380 PolarHBondContact CE1-NH1 3.01Å; H208-R380 VanDerWaalsContact CE1-NH1 3.32Å; H208-R380 PolarHBondContact CE1-NH2 3.22Å; H208-R380 PolarHBondContact NE2-NH1 3.42Å
209F98.5Very high97.6Very high2 Ų258.5 Ų58.51%0.00931%0.312CS..THydrogen-bonded Turntrans-87.4-5.6-178.2-53.2-59.1000114.3W200 A203 N204 G207 N211 E212 I213 N353 I359 H373W200-F209 AromaticContact CD1-CE2 3.5Å; W200-F209 VanDerWaalsContact CD1-CE2 3.5Å; W200-F209 AromaticContact CD1-CZ 3.74Å; W200-F209 HydrophobicContact CG-CE2 4.29Å; W200-F209 AromaticContact NE1-CE2 3.59Å; A203-F209 HydrophobicContact CB-CE2 3.73Å; A203-F209 HydrophobicContact CB-CZ 3.77Å; N204-F209 HydrophobicContact CB-CD2 4.15Å; N204-F209 HydrophobicContact CB-CE2 4.17Å; G207-F209 PolarHBondContact O-N 2.81Å; F209-N211 VanDerWaalsContact C-N 3.26Å; F209-N211 PolarHBondContact O-N 2.87Å; F209-E212 HydrophobicContact CB-CG 4.18Å; F209-E212 HydrophobicContact CD1-CG 4.49Å; F209-E212 WeakPolarHBondContact CD1-OE1 3.09Å; F209-E212 WeakPolarHBondContact O-CG 3.49Å; F209-E212 PolarHBondContact O-N 2.78Å; F209-I213 HydrophobicContact CB-CD1 3.74Å; F209-I213 HydrophobicContact CB-CG1 4.18Å; F209-I213 WeakPolarHBondContact O-CG1 3.42Å; F209-I213 PolarHBondContact O-N 2.88Å; F209-N353 HydrophobicContact CE1-CB 4.13Å; F209-N353 HydrophobicContact CZ-CB 3.96Å; F209-I359 HydrophobicContact CZ-CD1 4.46Å; F209-H373 AromaticContact CD1-CE1 3.97Å; F209-H373 AromaticContact CD1-ND1 3.95Å; F209-H373 AromaticContact CE1-CE1 3.54Å; F209-H373 AromaticContact CE1-ND1 3.8Å
210K97.9Very high97Very high166 Ų16657.6 Ų57.672%0.72232%0.318SS*.THydrogen-bonded Turntrans-60.9-34.5-173.3-72179.9177.31800113.3G207G207-K210 WeakPolarHBondContact O-CB 3.31Å; G207-K210 WeakPolarHBondContact O-CG 3.33Å; G207-K210 PolarHBondContact O-N 2.87Å
211N97.5Very high96.3Very high109 Ų10966.9 Ų66.958%0.58336%0.359SS*.THydrogen-bonded Turntrans-82.4-19.2-177.8-66.6-19.3000112.9K23 F209 H376K23-N211 PolarHBondContact NZ-O 2.9Å; F209-N211 VanDerWaalsContact C-N 3.26Å; F209-N211 PolarHBondContact O-N 2.87Å; N211-H376 PolarHBondContact O-CE1 2.68Å
212E98.2Very high95.8Very high1 Ų175.5 Ų75.51%0.00539%0.389CS..THydrogen-bonded Turntrans-96.9-28.3177.759.7-175.5-127.600112.8K23 R24 F209 H373K23-E212 CarbonylContact C-O 3.55Å; K23-E212 WeakPolarHBondContact CA-O 3.44Å; R24-E212 HydrophobicContact CG-CB 4.32Å; R24-E212 HydrophobicContact CG-CG 4.32Å; R24-E212 WeakPolarHBondContact CG-O 3.15Å; R24-E212 IonicContact CZ-OE1 2.94Å; R24-E212 PolarHBondContact N-O 2.8Å; R24-E212 IonicContact NE-OE1 3Å; R24-E212 PolarHBondContact NE-OE1 2.83Å; R24-E212 IonicContact NH2-OE1 2.89Å; R24-E212 PolarHBondContact NH2-OE1 3.36Å; F209-E212 HydrophobicContact CB-CG 4.18Å; F209-E212 HydrophobicContact CD1-CG 4.49Å; F209-E212 WeakPolarHBondContact CD1-OE1 3.09Å; F209-E212 WeakPolarHBondContact O-CG 3.49Å; F209-E212 PolarHBondContact O-N 2.78Å; E212-H373 IonicContact OE1-ND1 3.31Å; E212-H373 PolarHBondContact OE1-ND1 3.29Å; E212-H373 VanDerWaalsContact OE2-CA 3.32Å; E212-H373 WeakPolarHBondContact OE2-CA 3.23Å; E212-H373 IonicContact OE2-CE1 3.46Å; E212-H373 IonicContact OE2-CG 3.36Å; E212-H373 IonicContact OE2-ND1 3.62Å; E212-H373 PolarHBondContact OE2-ND1 3.1Å
213I98.8Very high95.4Very high18 Ų1872.5 Ų72.59%0.09238%0.384CS..EExtended strand (participates in β ladder)trans-80.6131.2-178.2-66.4174.9000112.1R24 A26 F209 D228R24-I213 HydrophobicContact CG-CG1 4.28Å; R24-I213 CarbonylContact O-C 3.5Å; R24-I213 WeakPolarHBondContact O-CA 3.32Å; A26-I213 HydrophobicContact CB-CG2 4.31Å; F209-I213 HydrophobicContact CB-CD1 3.74Å; F209-I213 HydrophobicContact CB-CG1 4.18Å; F209-I213 WeakPolarHBondContact O-CG1 3.42Å; F209-I213 PolarHBondContact O-N 2.88Å; I213-D228 HydrophobicContact CG2-CB 4.49Å; I213-D228 WeakPolarHBondContact CG2-O 3.33Å
214V98.3Very high95.2Very high21 Ų2179.3 Ų79.313%0.12742%0.415CS..EExtended strand (participates in β ladder)trans-101.8121.3168.4-176.90000108.3K23 R24 A49 I216K23-V214 HydrophobicContact CB-CG2 3.65Å; K23-V214 HydrophobicContact CD-CG2 3.83Å; K23-V214 HydrophobicContact CG-CG2 3.9Å; R24-V214 PolarHBondContact O-N 3.36Å; A49-V214 HydrophobicContact CB-CB 4.28Å; A49-V214 HydrophobicContact CB-CG1 3.87Å; A49-V214 HydrophobicContact CB-CG2 3.36Å; V214-I216 PolarHBondContact O-N 2.89Å
215P97.9Very high95Very high65 Ų6580 Ų8042%0.42242%0.421SS..PPolyproline II helixtrans-61.3129.5174-24.134.6000111.7Q226 F227 D228P215-Q226 HydrophobicContact CB-CB 4.44Å; P215-F227 WeakPolarHBondContact CA-O 3.39Å; P215-D228 HydrophobicContact CB-CB 4.11Å; P215-D228 HydrophobicContact CG-CB 4.07Å
216I98Very high94.9Very high11 Ų1174.8 Ų74.86%0.05641%0.405CS..EExtended strand (participates in β ladder)trans-103.2127174.1-60-59.3000109.1T25 L34 T37 A45 V214 V218 F227T25-I216 HydrophobicContact CG2-CD1 3.82Å; T25-I216 HydrophobicContact CG2-CG1 3.65Å; L34-I216 HydrophobicContact CD2-CB 4.46Å; L34-I216 HydrophobicContact CD2-CG2 4.08Å; T37-I216 HydrophobicContact CG2-CG2 4.32Å; A45-I216 HydrophobicContact CB-CD1 3.39Å; V214-I216 PolarHBondContact O-N 2.89Å; I216-V218 HydrophobicContact CG2-CG1 4.09Å; I216-V218 PolarHBondContact O-N 2.89Å; I216-F227 HydrophobicContact CB-CB 4.48Å; I216-F227 PolarHBondContact N-O 2.81Å; I216-F227 WeakPolarHBondContact O-CB 3.21Å; I216-F227 PolarHBondContact O-N 3.03Å
217K95.9Very high94.9Very high125 Ų12571.9 Ų71.954%0.54338%0.381SS..EExtended strand (participates in β ladder)trans-71122.5171.1-66.1-175.8176.9-166.90109.6E224K217-E224 IonicContact NZ-OE2 2.81Å
218V95.2Very high94.9Very high11 Ų1175 Ų757%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-123.9149.6174.7-60.50000110.8M33 L34 I216 G220 E224 V225 F227M33-V218 HydrophobicContact CE-CG2 3.49Å; M33-V218 VanDerWaalsContact CE-CG2 3.49Å; L34-V218 HydrophobicContact CD2-CG1 4.14Å; I216-V218 HydrophobicContact CG2-CG1 4.09Å; I216-V218 PolarHBondContact O-N 2.89Å; V218-G220 PolarHBondContact O-N 3.35Å; V218-E224 WeakPolarHBondContact O-CA 3.18Å; V218-V225 HydrophobicContact CG2-CB 4.27Å; V218-V225 PolarHBondContact N-O 2.89Å; V218-V225 PolarHBondContact O-N 2.95Å; V218-F227 HydrophobicContact CG1-CB 4.2Å; V218-F227 HydrophobicContact CG2-CB 4.26Å
219A89.6Confident94.9Very high99 Ų9975.7 Ų75.782%0.81840%0.401SS*.EExtended strand (participates in β ladder)trans-70.6113.4175.600000110.3
220G86Confident94.9Very high30 Ų3075.9 Ų75.931%0.30940%0.402SS..EExtended strand (participates in β ladder)trans-97.9168.9172.300000112.6V218 K222 G223V218-G220 PolarHBondContact O-N 3.35Å; G220-K222 PolarHBondContact O-N 3.49Å; G220-G223 CarbonylContact C-O 3.58Å; G220-G223 WeakPolarHBondContact CA-O 3.38Å; G220-G223 PolarHBondContact N-O 3.38Å; G220-G223 PolarHBondContact O-N 2.85Å
221K84.4Confident94.9Very high222 Ų22271 Ų7197%0.96538%0.382SS*.THydrogen-bonded Turntrans-59.7-27.7179.7-68.1-175.8179.2179.70114
222K86.8Confident94.9Very high218 Ų21867 Ų6795%0.94836%0.36SS*.THydrogen-bonded Turntrans-115.512.2-176.2-64.6-174.7178.4-178.70113.3G220G220-K222 PolarHBondContact O-N 3.49Å
223G91Very high94.9Very high41 Ų4167.9 Ų67.942%0.42337%0.366SS..EExtended strand (participates in β ladder)trans128.9-173.3-17300000112.5G220G220-G223 CarbonylContact C-O 3.58Å; G220-G223 WeakPolarHBondContact CA-O 3.38Å; G220-G223 PolarHBondContact N-O 3.38Å; G220-G223 PolarHBondContact O-N 2.85Å
224E93.1Very high94.9Very high145 Ų14570.6 Ų70.668%0.67838%0.375SS*.EExtended strand (participates in β ladder)trans-64.4135.7178.7-62.5-168.8138.500111.5K217 V218K217-E224 IonicContact NZ-OE2 2.81Å; V218-E224 WeakPolarHBondContact O-CA 3.18Å
225V95Very high94.7Very high67 Ų6778.5 Ų78.541%0.40641%0.41SS..EExtended strand (participates in β ladder)trans-119.5140.5174.3179.60000108.5M33 V218M33-V225 HydrophobicContact CE-CB 4.41Å; M33-V225 HydrophobicContact CE-CG1 3.88Å; V218-V225 HydrophobicContact CG2-CB 4.27Å; V218-V225 PolarHBondContact N-O 2.89Å; V218-V225 PolarHBondContact O-N 2.95Å
226Q96.6Very high94.7Very high96 Ų9676.6 Ų76.645%0.44940%0.398SS..EExtended strand (participates in β ladder)trans-81120.8171.3-65.2-66.5-8.700109.2P215P215-Q226 HydrophobicContact CB-CB 4.44Å
227F97.9Very high94.7Very high6 Ų677.7 Ų77.73%0.02641%0.406CS..EExtended strand (participates in β ladder)trans-96.9103.8173.1-176.7-119.6000109.6A26 M33 L34 P215 I216 V218 T229 E231A26-F227 HydrophobicContact CB-CD1 3.96Å; A26-F227 HydrophobicContact CB-CE1 3.55Å; A26-F227 HydrophobicContact CB-CE2 4.4Å; A26-F227 HydrophobicContact CB-CZ 3.79Å; A26-F227 WeakPolarHBondContact O-CE1 3.29Å; M33-F227 HydrophobicContact CB-CD2 3.9Å; M33-F227 HydrophobicContact CB-CE2 4.07Å; M33-F227 HydrophobicContact CB-CG 4.28Å; M33-F227 HydrophobicContact CE-CB 4.02Å; M33-F227 HydrophobicContact CE-CD2 3.74Å; M33-F227 HydrophobicContact CE-CG 4.26Å; M33-F227 HydrophobicContact CG-CD2 4.25Å; M33-F227 HydrophobicContact CG-CE2 4.44Å; M33-F227 HydrophobicContact SD-CD2 3.47Å; M33-F227 WeakPolarHBondContact SD-CD2 3.23Å; M33-F227 HydrophobicContact SD-CE2 3.89Å; M33-F227 HydrophobicContact SD-CG 4.45Å; L34-F227 HydrophobicContact CD1-CD1 4.07Å; L34-F227 HydrophobicContact CD1-CE1 3.59Å; L34-F227 HydrophobicContact CD2-CD1 3.81Å; L34-F227 HydrophobicContact CD2-CE1 4.18Å; L34-F227 HydrophobicContact CG-CD1 3.81Å; L34-F227 HydrophobicContact CG-CE1 3.66Å; P215-F227 WeakPolarHBondContact CA-O 3.39Å; I216-F227 HydrophobicContact CB-CB 4.48Å; I216-F227 PolarHBondContact N-O 2.81Å; I216-F227 WeakPolarHBondContact O-CB 3.21Å; I216-F227 PolarHBondContact O-N 3.03Å; V218-F227 HydrophobicContact CG1-CB 4.2Å; V218-F227 HydrophobicContact CG2-CB 4.26Å; F227-T229 WeakPolarHBondContact CE2-O 3.42Å; F227-T229 WeakPolarHBondContact CZ-O 3.21Å; F227-E231 HydrophobicContact CE2-CB 3.98Å; F227-E231 HydrophobicContact CZ-CB 3.93Å
228D97.8Very high94.8Very high79 Ų7974.2 Ų74.242%0.42240%0.401SS..  trans-134.87.8-169.865.64.6000114.1I213 P215I213-D228 HydrophobicContact CG2-CB 4.49Å; I213-D228 WeakPolarHBondContact CG2-O 3.33Å; P215-D228 HydrophobicContact CB-CB 4.11Å; P215-D228 HydrophobicContact CG-CB 4.07Å
229T98.4Very high95Very high57 Ų5779.6 Ų79.635%0.3543%0.425SS..SBendtrans-135.4132.6-179.5-56.70000109.4A26 W200 F227 E231A26-T229 WeakPolarHBondContact CB-O 3.48Å; W200-T229 HydrophobicContact CH2-CG2 4.35Å; W200-T229 HydrophobicContact CZ2-CG2 4.24Å; F227-T229 WeakPolarHBondContact CE2-O 3.42Å; F227-T229 WeakPolarHBondContact CZ-O 3.21Å; T229-E231 PolarHBondContact O-N 3.26Å
230D98.7Very high95.4Very high7 Ų779.6 Ų79.64%0.03741%0.409CS..  trans-54.2131.6177.8-61.1-53.1000110.7R24 A26 F27 W200 P233R24-D230 IonicContact CZ-OD1 2.74Å; R24-D230 IonicContact CZ-OD2 3.16Å; R24-D230 IonicContact NH1-OD1 3.47Å; R24-D230 PolarHBondContact NH1-OD1 3.35Å; R24-D230 IonicContact NH1-OD2 2.8Å; R24-D230 PolarHBondContact NH1-OD2 2.91Å; R24-D230 IonicContact NH2-OD1 3.64Å; R24-D230 IonicContact NH2-OD2 2.68Å; R24-D230 PolarHBondContact NH2-OD2 2.87Å; A26-D230 WeakPolarHBondContact CA-OD1 3.46Å; F27-D230 PolarHBondContact N-OD1 2.93Å; W200-D230 HydrophobicContact CZ2-CB 3.99Å; W200-D230 PolarHBondContact NE1-OD2 3.02Å; D230-P233 HydrophobicContact CB-CG 3.87Å
231E98.1Very high96Very high63 Ų6378.2 Ų78.229%0.29440%0.395SS..SBendtrans-94.7-25.7-170.7-170.7-179.6-148.100113F27 G28 T29 G32 M33 F227 T229 P233F27-E231 PolarHBondContact O-N 3.49Å; G28-E231 WeakPolarHBondContact CA-OE2 3.47Å; T29-E231 HydrophobicContact CG2-CG 4Å; T29-E231 PolarHBondContact N-OE2 2.91Å; G32-E231 WeakPolarHBondContact CA-OE2 3.32Å; M33-E231 WeakPolarHBondContact CG-OE1 3.33Å; M33-E231 PolarHBondContact N-OE1 2.88Å; M33-E231 PolarHBondContact N-OE2 3.01Å; M33-E231 VanDerWaalsContact N-OE2 3.11Å; F227-E231 HydrophobicContact CE2-CB 3.98Å; F227-E231 HydrophobicContact CZ-CB 3.93Å; T229-E231 PolarHBondContact O-N 3.26Å; E231-P233 VanDerWaalsContact C-CD 3.47Å
232H98.1Very high96.6Very high25 Ų2570.8 Ų70.812%0.11638%0.375CS..SBendtrans-68.9-34.8179.7-16665.5000116.2T29 R234 G261 N263 A358T29-H232 PolarHBondContact OG1-ND1 2.9Å; H232-R234 PolarHBondContact NE2-NH1 2.71Å; H232-G261 VanDerWaalsContact CE1-CA 3.48Å; H232-G261 WeakPolarHBondContact CE1-CA 3.38Å; H232-N263 WeakPolarHBondContact CB-ND2 3.36Å; H232-A358 CarbonylContact C-O 3.47Å; H232-A358 PolarHBondContact CD2-O 3.31Å
233P98.4Very high97.1Very high20 Ų2068.6 Ų68.613%0.1337%0.366CS..  trans-54.9142.5178.3-25.732.5000112.6W200 D230 E231 A358W200-P233 HydrophobicContact CD2-CB 3.44Å; W200-P233 VanDerWaalsContact CD2-CB 3.44Å; W200-P233 HydrophobicContact CD2-CG 3.37Å; W200-P233 HydrophobicContact CE3-CB 3.19Å; W200-P233 HydrophobicContact CE3-CG 3.71Å; W200-P233 HydrophobicContact CG-CB 4.23Å; W200-P233 HydrophobicContact CG-CG 3.95Å; W200-P233 HydrophobicContact CH2-CB 3.61Å; W200-P233 HydrophobicContact CH2-CG 3.77Å; W200-P233 HydrophobicContact CZ2-CB 3.87Å; W200-P233 HydrophobicContact CZ2-CG 3.47Å; W200-P233 VanDerWaalsContact CZ2-CG 3.47Å; W200-P233 HydrophobicContact CZ3-CB 3.28Å; W200-P233 HydrophobicContact CZ3-CG 3.89Å; D230-P233 HydrophobicContact CB-CG 3.87Å; E231-P233 VanDerWaalsContact C-CD 3.47Å; P233-A358 WeakPolarHBondContact CA-O 3.42Å; P233-A358 WeakPolarHBondContact CD-O 3.29Å; P233-A358 WeakPolarHBondContact CG-O 3.32Å; P233-A358 VanDerWaalsContact N-O 3.15Å
234R97Very high97.5Very high74 Ų7469.9 Ų69.928%0.27936%0.362SS..  trans-139.6143.4-173.256.9-178.6174.5-90.5-1.1110.8Q197 H232 T236 A256 G257Q197-R234 PolarHBondContact OE1-O 3.11Å; H232-R234 PolarHBondContact NE2-NH1 2.71Å; R234-T236 PolarHBondContact O-N 2.92Å; R234-A256 PolarHBondContact NH2-O 3.45Å; R234-A256 VanDerWaalsContact NH2-O 3.12Å; R234-G257 VanDerWaalsContact NH2-C 3.32Å; R234-G257 VanDerWaalsContact NH2-CA 3.31Å; R234-G257 PolarHBondContact NH2-O 2.76Å
235Q96.1Very high97.7Very high187 Ų18771.8 Ų71.887%0.87437%0.368SS*.  trans-66.8124.7166-171.6175.4-6.600108.7M240Q235-M240 WeakPolarHBondContact O-CE 3.08Å
236T97.3Very high97.8Very high26 Ų2670.8 Ų70.816%0.1636%0.363CS..  trans-142.2172.3-178.1-164.20000110.8L194 Q197 R234 L241L194-T236 HydrophobicContact CD1-CG2 3.9Å; Q197-T236 HydrophobicContact CB-CG2 3.96Å; Q197-T236 HydrophobicContact CG-CG2 3.9Å; R234-T236 PolarHBondContact O-N 2.92Å; T236-L241 HydrophobicContact CG2-CD1 4.22Å; T236-L241 HydrophobicContact CG2-CG 4.46Å
237S97.9Very high97.9Very high34 Ų3470.3 Ų70.324%0.23837%0.367CS..  trans-145.3164.9177.558.20000110E239 M240 L241S237-E239 WeakPolarHBondContact CB-OE2 3.05Å; S237-E239 PolarHBondContact O-N 2.88Å; S237-E239 PolarHBondContact OG-OE2 3.14Å; S237-M240 PolarHBondContact O-N 3.42Å; S237-M240 WeakPolarHBondContact OG-CB 3.45Å; S237-M240 WeakPolarHBondContact OG-CG 3.46Å; S237-M240 PolarHBondContact OG-N 3.39Å; S237-M240 VanDerWaalsContact OG-N 3.16Å; S237-L241 WeakPolarHBondContact O-CG 2.94Å; S237-L241 PolarHBondContact O-N 2.63Å
238A98Very high97.8Very high52 Ų5272.6 Ų72.643%0.4338%0.377SS..Hα-helixtrans-58.7-39.8175.700000111.1L194 L241 A242L194-A238 HydrophobicContact CD2-CB 4.3Å; A238-L241 PolarHBondContact O-N 3.18Å; A238-A242 WeakPolarHBondContact O-CB 3.5Å; A238-A242 PolarHBondContact O-N 3.35Å
239E98.1Very high97.6Very high124 Ų12472.5 Ų72.558%0.57937%0.372SS*.Hα-helixtrans-67.4-39.2179.2-58.878.5-173.500112.2S237 K243S237-E239 WeakPolarHBondContact CB-OE2 3.05Å; S237-E239 PolarHBondContact O-N 2.88Å; S237-E239 PolarHBondContact OG-OE2 3.14Å; E239-K243 WeakPolarHBondContact O-CG 3.17Å; E239-K243 PolarHBondContact O-N 3.17Å
240M98.3Very high97.4Very high98 Ų9878.4 Ų78.448%0.48339%0.393SS..Hα-helixtrans-66.2-43.8175.2-77.7171.253.900111.4Q235 S237 K243Q235-M240 WeakPolarHBondContact O-CE 3.08Å; S237-M240 PolarHBondContact O-N 3.42Å; S237-M240 WeakPolarHBondContact OG-CB 3.45Å; S237-M240 WeakPolarHBondContact OG-CG 3.46Å; S237-M240 PolarHBondContact OG-N 3.39Å; S237-M240 VanDerWaalsContact OG-N 3.16Å; M240-K243 PolarHBondContact O-N 3.5Å
241L98.5Very high97.1Very high1 Ų184.7 Ų84.71%0.00543%0.427CS..Hα-helixtrans-64.6-47.4179.6-69.6168.2000110.9R186 D190 A193 L194 T236 S237 A238 K243 L244R186-L241 PolarHBondContact NH2-O 2.83Å; D190-L241 HydrophobicContact CB-CB 3.94Å; D190-L241 HydrophobicContact CB-CD1 4.39Å; D190-L241 WeakPolarHBondContact O-CD1 3.37Å; A193-L241 HydrophobicContact CB-CD1 4.18Å; A193-L241 HydrophobicContact CB-CD2 4.39Å; L194-L241 HydrophobicContact CB-CD1 3.82Å; T236-L241 HydrophobicContact CG2-CD1 4.22Å; T236-L241 HydrophobicContact CG2-CG 4.46Å; S237-L241 WeakPolarHBondContact O-CG 2.94Å; S237-L241 PolarHBondContact O-N 2.63Å; A238-L241 PolarHBondContact O-N 3.18Å; L241-K243 PolarHBondContact O-N 3.03Å; L241-K243 VanDerWaalsContact O-N 3.14Å; L241-L244 HydrophobicContact CD2-CD1 4.2Å; L241-L244 WeakPolarHBondContact O-CB 3.22Å; L241-L244 PolarHBondContact O-N 3.28Å
242A97.7Very high97.1Very high66 Ų6682 Ų8255%0.54542%0.416SS..Hα-helixtrans-58.1-30.7-179.400000113.4D190 A238 L244D190-A242 PolarHBondContact OD2-N 2.98Å; A238-A242 WeakPolarHBondContact O-CB 3.5Å; A238-A242 PolarHBondContact O-N 3.35Å; A242-L244 VanDerWaalsContact C-N 3.28Å; A242-L244 PolarHBondContact O-N 2.83Å
243K97.9Very high97.1Very high173 Ų17381.9 Ų81.975%0.75242%0.416SS*.THydrogen-bonded Turntrans-72.9-15.5177.8-74.2171.7-177176.90114.2E239 M240 L241E239-K243 WeakPolarHBondContact O-CG 3.17Å; E239-K243 PolarHBondContact O-N 3.17Å; M240-K243 PolarHBondContact O-N 3.5Å; L241-K243 PolarHBondContact O-N 3.03Å; L241-K243 VanDerWaalsContact O-N 3.14Å
244L98Very high97.1Very high67 Ų6781 Ų8135%0.35141%0.41SS..PPolyproline II helixtrans-73.1135.9-177.4-63.2171.4000111.2R186 L241 A242 T255R186-L244 PolarHBondContact NH1-O 2.87Å; R186-L244 PolarHBondContact NH2-O 2.76Å; R186-L244 VanDerWaalsContact NH2-O 3.08Å; L241-L244 HydrophobicContact CD2-CD1 4.2Å; L241-L244 WeakPolarHBondContact O-CB 3.22Å; L241-L244 PolarHBondContact O-N 3.28Å; A242-L244 VanDerWaalsContact C-N 3.28Å; A242-L244 PolarHBondContact O-N 2.83Å; L244-T255 HydrophobicContact CB-CG2 4.11Å
245K97.8Very high97.2Very high185 Ų18577.5 Ų77.580%0.80440%0.397SS*.PPolyproline II helixtrans-77.8144.2178-65.5-179.3176.2177.60110.6T255K245-T255 WeakPolarHBondContact O-CG2 3.49Å
246P98.1Very high97.2Very high47 Ų4771.9 Ų71.931%0.30538%0.383SS..BIsolated β-bridgetrans-57.9144.3168.9-24.936.7000111.9K249 G252 V254P246-K249 WeakPolarHBondContact CB-O 3.21Å; P246-G252 WeakPolarHBondContact CG-O 3.19Å; P246-V254 CarbonylContact C-O 3.53Å; P246-V254 VanDerWaalsContact CA-O 3.28Å; P246-V254 WeakPolarHBondContact CA-O 3.26Å
247V97.1Very high97.3Very high86 Ų8670.7 Ų70.752%0.52138%0.376SS..SBendtrans-98.8-41.6-173.8175.10000112.4V254V247-V254 PolarHBondContact N-O 2.84Å
248F95.5Very high97.3Very high54 Ų5469.1 Ų69.124%0.23736%0.364CS..SBendtrans-98.5-26.9-165.6-66.2-81.9000114.7W159 P170 M173 E176 V254 F332W159-F248 AromaticContact CH2-CE1 3.96Å; W159-F248 HydrophobicContact CH2-CE1 3.96Å; P170-F248 HydrophobicContact CB-CD1 4.37Å; P170-F248 HydrophobicContact CB-CE1 4.3Å; P170-F248 HydrophobicContact CG-CD1 4.16Å; M173-F248 HydrophobicContact CG-CB 4.09Å; M173-F248 HydrophobicContact SD-CB 3.77Å; M173-F248 VanDerWaalsContact SD-O 3.34Å; E176-F248 HydrophobicContact CG-CB 4.42Å; F248-V254 HydrophobicContact CD2-CB 4.15Å; F248-V254 HydrophobicContact CD2-CG1 3.7Å; F248-V254 HydrophobicContact CE2-CG1 3.79Å; F248-F332 AromaticContact CE2-CE1 3.98Å; F248-F332 HydrophobicContact CE2-CE1 3.98Å; F248-F332 HydrophobicContact CZ-CE1 4.34Å
249K94.9Very high97.3Very high76 Ų7667 Ų6733%0.3335%0.347SS..SBendtrans-145.5153.5173.972.7-176.2-161.7-1490110.8M173 E176 P246 D251 G252M173-K249 HydrophobicContact CE-CB 4.29Å; M173-K249 HydrophobicContact CE-CD 4.43Å; M173-K249 HydrophobicContact SD-CB 3.89Å; E176-K249 HydrophobicContact CB-CD 3.99Å; E176-K249 HydrophobicContact CG-CD 3.97Å; E176-K249 HydrophobicContact CG-CG 4.14Å; E176-K249 WeakPolarHBondContact OE2-CE 3.49Å; E176-K249 IonicContact OE2-NZ 3.9Å; E176-K249 PolarHBondContact OE2-NZ 3.12Å; P246-K249 WeakPolarHBondContact CB-O 3.21Å; K249-D251 PolarHBondContact O-N 3.5Å; K249-G252 PolarHBondContact O-N 3.07Å
250K94.1Very high97.4Very high182 Ų18262.3 Ų62.379%0.79133%0.328SS*.THydrogen-bonded Turntrans-60136.8170.1-169.8-175.6170.9-176.40109.2G252K250-G252 PolarHBondContact O-N 3.16Å; K250-G252 VanDerWaalsContact O-N 3.17Å
251D92.6Very high97.3Very high139 Ų13958.4 Ų58.474%0.74331%0.313SS*.THydrogen-bonded Turntrans57.726.4-178.7-47.9-43.4000113.7K249K249-D251 PolarHBondContact O-N 3.5Å
252G97.5Very high97.3Very high6 Ų660.3 Ų60.36%0.06232%0.324CS..  trans-78.7176.1176.100000115E176 P246 K249 K250E176-G252 WeakPolarHBondContact OE1-CA 3.49Å; P246-G252 WeakPolarHBondContact CG-O 3.19Å; K249-G252 PolarHBondContact O-N 3.07Å; K250-G252 PolarHBondContact O-N 3.16Å; K250-G252 VanDerWaalsContact O-N 3.17Å
253I98.3Very high97.3Very high23 Ų2357.2 Ų57.212%0.11830%0.298CS..SBendtrans-105.1-16.9-179.266.5177.8000112.8E176 I184 R186 N258E176-I253 PolarHBondContact OE1-N 2.98Å; E176-I253 PolarHBondContact OE2-N 2.73Å; E176-I253 VanDerWaalsContact OE2-N 3.16Å; I184-I253 HydrophobicContact CB-CD1 4.44Å; I184-I253 WeakPolarHBondContact O-CD1 3.33Å; R186-I253 HydrophobicContact CB-CB 4.38Å; R186-I253 HydrophobicContact CB-CG2 4.11Å; R186-I253 WeakPolarHBondContact CD-O 3.5Å; I253-N258 PolarHBondContact O-ND2 2.89Å
254V98.5Very high97.4Very high1 Ų149 Ų491%0.00626%0.263CS..  trans-88.7121.2-177.2-179.80000110.7A175 E176 P246 V247 F248 N258 A259 F332A175-V254 HydrophobicContact CB-CG2 4.13Å; E176-V254 HydrophobicContact CG-CB 4.34Å; E176-V254 HydrophobicContact CG-CG2 3.93Å; E176-V254 WeakPolarHBondContact OE1-CB 3.41Å; E176-V254 PolarHBondContact OE1-N 3.29Å; P246-V254 CarbonylContact C-O 3.53Å; P246-V254 VanDerWaalsContact CA-O 3.28Å; P246-V254 WeakPolarHBondContact CA-O 3.26Å; V247-V254 PolarHBondContact N-O 2.84Å; F248-V254 HydrophobicContact CD2-CB 4.15Å; F248-V254 HydrophobicContact CD2-CG1 3.7Å; F248-V254 HydrophobicContact CE2-CG1 3.79Å; V254-N258 WeakPolarHBondContact CA-OD1 3.21Å; V254-A259 HydrophobicContact CG1-CB 4.35Å; V254-F332 HydrophobicContact CG1-CD1 3.57Å; V254-F332 HydrophobicContact CG1-CE1 3.97Å
255T98.6Very high97.4Very high1 Ų145.8 Ų45.81%0.00625%0.246CC..BIsolated β-bridgetrans-124.5166.2176.171.90000111.1L244 K245 G257 N258 A259L244-T255 HydrophobicContact CB-CG2 4.11Å; K245-T255 WeakPolarHBondContact O-CG2 3.49Å; T255-G257 PolarHBondContact O-N 2.63Å; T255-G257 VanDerWaalsContact O-N 3.11Å; T255-G257 PolarHBondContact OG1-N 2.72Å; T255-G257 VanDerWaalsContact OG1-N 3.08Å; T255-N258 PolarHBondContact N-OD1 3.47Å; T255-N258 PolarHBondContact O-N 2.68Å; T255-N258 PolarHBondContact O-OD1 2.78Å; T255-N258 PolarHBondContact OG1-N 2.88Å; T255-N258 PolarHBondContact OG1-ND2 3.42Å; T255-A259 VanDerWaalsContact O-CB 3.32Å; T255-A259 WeakPolarHBondContact O-CB 3.32Å; T255-A259 PolarHBondContact O-N 3.49Å
256A97.5Very high97.5Very high69 Ų6937 Ų3757%0.5721%0.208SC*.THydrogen-bonded Turntrans-59.7-19.6169.300000113.1R234R234-A256 PolarHBondContact NH2-O 3.45Å; R234-A256 VanDerWaalsContact NH2-O 3.12Å
257G98.1Very high97.5Very high1 Ų134.7 Ų34.71%0.0119%0.193CC..THydrogen-bonded Turntrans-75.8-31.7178.300000113.8A193 R234 T255A193-G257 WeakPolarHBondContact CB-O 3.35Å; R234-G257 VanDerWaalsContact NH2-C 3.32Å; R234-G257 VanDerWaalsContact NH2-CA 3.31Å; R234-G257 PolarHBondContact NH2-O 2.76Å; T255-G257 PolarHBondContact O-N 2.63Å; T255-G257 VanDerWaalsContact O-N 3.11Å; T255-G257 PolarHBondContact OG1-N 2.72Å; T255-G257 VanDerWaalsContact OG1-N 3.08Å
258N98.6Very high97.6Very high0 Ų030.6 Ų30.60%017%0.168CC..THydrogen-bonded Turntrans-119.814.6-173.368.330.9000113.4C189 D190 A193 I253 V254 T255 A333C189-N258 HydrophobicContact CB-CB 4.22Å; D190-N258 PolarHBondContact OD1-ND2 3.41Å; A193-N258 HydrophobicContact CB-CB 3.79Å; I253-N258 PolarHBondContact O-ND2 2.89Å; V254-N258 WeakPolarHBondContact CA-OD1 3.21Å; T255-N258 PolarHBondContact N-OD1 3.47Å; T255-N258 PolarHBondContact O-N 2.68Å; T255-N258 PolarHBondContact O-OD1 2.78Å; T255-N258 PolarHBondContact OG1-N 2.88Å; T255-N258 PolarHBondContact OG1-ND2 3.42Å; N258-A333 HydrophobicContact CB-CB 3.88Å; N258-A333 VanDerWaalsContact O-CB 3.27Å; N258-A333 WeakPolarHBondContact O-CB 3.47Å; N258-A333 PolarHBondContact O-N 2.91Å
259A98.5Very high97.7Very high9 Ų928.1 Ų28.17%0.07416%0.157CC..BIsolated β-bridgetrans-109.4155.9168.300000110.1V254 T255 F332V254-A259 HydrophobicContact CG1-CB 4.35Å; T255-A259 VanDerWaalsContact O-CB 3.32Å; T255-A259 WeakPolarHBondContact O-CB 3.32Å; T255-A259 PolarHBondContact O-N 3.49Å; A259-F332 HydrophobicContact CB-CD1 3.59Å; A259-F332 HydrophobicContact CB-CE1 3.82Å
260S98.3Very high97.9Very high25 Ų2524.5 Ų24.518%0.17514%0.142CC..PPolyproline II helixtrans-65.3156.6164.7590000111.8A331 A356 H361S260-A331 PolarHBondContact N-O 2.89Å; S260-A331 PolarHBondContact OG-O 3.11Å; S260-A356 WeakPolarHBondContact CB-O 3.39Å; S260-H361 WeakPolarHBondContact OG-CB 3.34Å
261G97.3Very high98.2Very high15 Ų1515.8 Ų15.816%0.15510%0.104CC..PPolyproline II helixtrans-77.6167.1175.300000113.5H232 N263H232-G261 VanDerWaalsContact CE1-CA 3.48Å; H232-G261 WeakPolarHBondContact CE1-CA 3.38Å; G261-N263 WeakPolarHBondContact CA-OD1 3.16Å; G261-N263 PolarHBondContact O-OD1 3.28Å
262V98.1Very high98.5Very high42 Ų429.2 Ų9.226%0.2557%0.068SC..PPolyproline II helixtrans-80.1124.4153.6175.30000106.7Y30 M132 L158Y30-V262 WeakPolarHBondContact CB-O 3.48Å; Y30-V262 HydrophobicContact CD2-CB 4.18Å; Y30-V262 HydrophobicContact CD2-CG1 3.4Å; Y30-V262 HydrophobicContact CE2-CG1 4.1Å; Y30-V262 HydrophobicContact CG-CB 4.27Å; Y30-V262 HydrophobicContact CG-CG1 3.97Å; Y30-V262 PolarHBondContact N-O 3.36Å; M132-V262 HydrophobicContact CB-CG1 3.44Å; M132-V262 VanDerWaalsContact CB-CG1 3.44Å; M132-V262 HydrophobicContact CE-CG1 4.08Å; M132-V262 HydrophobicContact CE-CG2 4.44Å; M132-V262 HydrophobicContact CG-CG1 4.35Å; M132-V262 HydrophobicContact SD-CG1 4.15Å; L158-V262 HydrophobicContact CD1-CG1 4.14Å; L158-V262 HydrophobicContact CD2-CG1 3.99Å
263N98.8Very high98.5Very high0 Ų09 Ų90%07%0.066CC..EExtended strand (participates in β ladder)trans-141.9159.6-166.3-66.1106.4000112.7G28 M132 H232 G261 G360 H361 P362G28-N263 VanDerWaalsContact O-CA 3.27Å; G28-N263 WeakPolarHBondContact O-CA 3.5Å; G28-N263 VanDerWaalsContact O-CB 3.31Å; G28-N263 WeakPolarHBondContact O-CB 3.29Å; G28-N263 PolarHBondContact O-ND2 2.83Å; M132-N263 WeakPolarHBondContact CB-O 3.39Å; M132-N263 VanDerWaalsContact CG-O 3.26Å; M132-N263 WeakPolarHBondContact CG-O 3.33Å; H232-N263 WeakPolarHBondContact CB-ND2 3.36Å; G261-N263 WeakPolarHBondContact CA-OD1 3.16Å; G261-N263 PolarHBondContact O-OD1 3.28Å; N263-G360 VanDerWaalsContact CG-CA 3.42Å; N263-G360 WeakPolarHBondContact OD1-CA 3.41Å; N263-H361 PolarHBondContact OD1-N 3Å; N263-P362 HydrophobicContact CB-CG 4.5Å
264D98.8Very high98.4Very high0 Ų011.4 Ų11.40%08%0.077CC..EExtended strand (participates in β ladder)trans-118.5138.5177.1-51.8-40.9000109F27 G28 L34 M42 E130 N131 M132 T133F27-D264 CarbonylContact C-O 3.52Å; F27-D264 WeakPolarHBondContact CA-O 3.37Å; G28-D264 PolarHBondContact N-O 3.18Å; G28-D264 PolarHBondContact O-N 3.21Å; G28-D264 VanDerWaalsContact O-N 3.15Å; L34-D264 HydrophobicContact CB-CB 3.78Å; L34-D264 HydrophobicContact CD1-CB 4.03Å; L34-D264 WeakPolarHBondContact CD1-O 3.34Å; M42-D264 HydrophobicContact CE-CB 4.47Å; E130-D264 CarbonylContact O-C 3.54Å; E130-D264 WeakPolarHBondContact O-CA 3.46Å; N131-D264 VanDerWaalsContact C-OD1 3.28Å; N131-D264 VanDerWaalsContact CA-OD1 3.31Å; N131-D264 WeakPolarHBondContact CA-OD1 3.32Å; N131-D264 PolarHBondContact OD1-OD1 3.27Å; N131-D264 VanDerWaalsContact OD1-OD1 3.08Å; M132-D264 PolarHBondContact N-OD1 3.02Å; T133-D264 VanDerWaalsContact CB-OD2 3.24Å; T133-D264 WeakPolarHBondContact CB-OD2 3.35Å; T133-D264 PolarHBondContact N-OD1 2.93Å; T133-D264 VanDerWaalsContact OG1-CG 3.31Å; T133-D264 PolarHBondContact OG1-OD1 3.21Å; T133-D264 PolarHBondContact OG1-OD2 2.88Å
265G98.8Very high98.3Very high0 Ų016.7 Ų16.70%010%0.102CC..EExtended strand (participates in β ladder)trans169.3170.3176.200000114.1T25 T129 E130 A365T25-G265 VanDerWaalsContact OG1-CA 3.3Å; T25-G265 WeakPolarHBondContact OG1-CA 3.47Å; T129-G265 WeakPolarHBondContact CA-O 3.42Å; E130-G265 PolarHBondContact N-O 3.31Å; E130-G265 PolarHBondContact O-N 2.87Å; G265-A365 WeakPolarHBondContact O-CB 3.45Å
266A98.9Very high98.3Very high0 Ų016.8 Ų16.80%010%0.102CC..EExtended strand (participates in β ladder)trans-138.9158.7176.500000112R24 T25 M42 V46 G128R24-A266 CarbonylContact C-O 3.49Å; R24-A266 VanDerWaalsContact CA-O 3.22Å; R24-A266 WeakPolarHBondContact CA-O 3.41Å; R24-A266 WeakPolarHBondContact CB-O 3.42Å; T25-A266 HydrophobicContact CG2-CB 4.21Å; T25-A266 PolarHBondContact N-O 3.18Å; T25-A266 PolarHBondContact OG1-N 2.88Å; M42-A266 HydrophobicContact CB-CB 3.65Å; V46-A266 HydrophobicContact CG1-CB 4.19Å; V46-A266 HydrophobicContact CG2-CB 3.84Å; G128-A266 CarbonylContact O-C 3.59Å; G128-A266 VanDerWaalsContact O-CA 3.25Å; G128-A266 WeakPolarHBondContact O-CA 3.39Å
267A98.9Very high98.3Very high0 Ų014.3 Ų14.30%08%0.08CC..EExtended strand (participates in β ladder)trans-146.7148.2169.300000110.6K23 R24 G127 G128 R369K23-A267 CarbonylContact O-C 3.53Å; K23-A267 VanDerWaalsContact O-CA 3.25Å; K23-A267 WeakPolarHBondContact O-CA 3.26Å; R24-A267 HydrophobicContact CB-CB 3.8Å; G127-A267 CarbonylContact C-O 3.49Å; G127-A267 WeakPolarHBondContact CA-O 3.35Å; G128-A267 PolarHBondContact N-O 2.97Å; G128-A267 PolarHBondContact O-N 3.04Å; A267-R369 HydrophobicContact CB-CB 4.09Å; A267-R369 VanDerWaalsContact CB-N 3.34Å
268A98.9Very high98.3Very high0 Ų019.6 Ų19.60%010%0.103CC..EExtended strand (participates in β ladder)trans-143.7149177.200000111.4A22 K23 V46 A47 F66 I125 A126A22-A268 WeakPolarHBondContact CA-O 3.11Å; K23-A268 PolarHBondContact N-O 3.21Å; K23-A268 PolarHBondContact O-N 3.4Å; K23-A268 VanDerWaalsContact O-O 3.09Å; V46-A268 HydrophobicContact CB-CB 4.11Å; V46-A268 HydrophobicContact CG2-CB 3.68Å; A47-A268 HydrophobicContact CB-CB 4.38Å; F66-A268 HydrophobicContact CE1-CB 4.49Å; F66-A268 HydrophobicContact CZ-CB 3.83Å; I125-A268 HydrophobicContact CG2-CB 4.43Å; A126-A268 CarbonylContact O-C 3.58Å; A126-A268 VanDerWaalsContact O-CA 3.25Å; A126-A268 WeakPolarHBondContact O-CA 3.35Å
269V98.9Very high98.2Very high1 Ų127 Ų271%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-128.1143.6171.9-58.50000109.2I19 A21 A22 V109 I125 A126 M271 I371I19-V269 HydrophobicContact CG2-CB 4.08Å; I19-V269 HydrophobicContact CG2-CG1 4.33Å; A21-V269 CarbonylContact O-C 3.57Å; A21-V269 VanDerWaalsContact O-CA 3.25Å; A21-V269 WeakPolarHBondContact O-CA 3.17Å; A22-V269 HydrophobicContact CB-CG1 3.7Å; V109-V269 HydrophobicContact CG2-CG2 3.75Å; I125-V269 WeakPolarHBondContact CA-O 3.24Å; A126-V269 HydrophobicContact CB-CG2 3.86Å; A126-V269 PolarHBondContact N-O 2.6Å; A126-V269 PolarHBondContact O-N 2.61Å; V269-M271 HydrophobicContact CG2-CG 3.99Å; V269-M271 HydrophobicContact CG2-SD 4.25Å; V269-I371 HydrophobicContact CG1-CG2 3.98Å
270V98.9Very high98.2Very high0 Ų029.2 Ų29.20%014%0.144CC..EExtended strand (participates in β ladder)trans-96.1128.7167.7-179.10000107.5I19 V20 A21 A50 L51 V56 I123I19-V270 WeakPolarHBondContact CA-O 3.29Å; V20-V270 HydrophobicContact CG2-CB 3.79Å; V20-V270 HydrophobicContact CG2-CG1 3.56Å; V20-V270 WeakPolarHBondContact CG2-O 3.29Å; V20-V270 PolarHBondContact N-O 2.75Å; A21-V270 HydrophobicContact CB-CB 4.43Å; A21-V270 PolarHBondContact O-N 2.72Å; A50-V270 HydrophobicContact CB-CG2 3.82Å; L51-V270 HydrophobicContact CD2-CG2 4.14Å; L51-V270 HydrophobicContact CG-CG2 4.34Å; V56-V270 HydrophobicContact CB-CG1 4.41Å; V56-V270 HydrophobicContact CG2-CG1 4.04Å; I123-V270 HydrophobicContact CG2-CG1 4.37Å
271M98.8Very high98.2Very high0 Ų038.8 Ų38.80%018%0.176CC..EExtended strand (participates in β ladder)trans-115.4147.7-179.2-59.9176.762.200110.3I17 F18 I19 V109 V112 A113 F116 I123 G124 A126 V269 L288I17-M271 HydrophobicContact CG2-CE 3.53Å; F18-M271 CarbonylContact O-C 3.43Å; F18-M271 WeakPolarHBondContact O-CA 3.43Å; I19-M271 HydrophobicContact CG1-CG 4.29Å; V109-M271 HydrophobicContact CB-SD 4.15Å; V109-M271 HydrophobicContact CG1-CE 3.86Å; V109-M271 HydrophobicContact CG1-SD 3.82Å; V109-M271 HydrophobicContact CG2-SD 4.06Å; V112-M271 HydrophobicContact CB-SD 3.92Å; V112-M271 HydrophobicContact CG1-CB 3.99Å; V112-M271 HydrophobicContact CG1-CE 4.33Å; V112-M271 HydrophobicContact CG1-CG 4.44Å; V112-M271 HydrophobicContact CG1-SD 3.85Å; A113-M271 HydrophobicContact CB-CE 4.24Å; F116-M271 HydrophobicContact CE2-CB 3.77Å; F116-M271 HydrophobicContact CZ-CB 3.95Å; F116-M271 WeakPolarHBondContact CZ-O 3.37Å; I123-M271 WeakPolarHBondContact CA-O 3.43Å; G124-M271 PolarHBondContact N-O 3.11Å; G124-M271 PolarHBondContact O-N 2.96Å; A126-M271 HydrophobicContact CB-SD 3.88Å; V269-M271 HydrophobicContact CG2-CG 3.99Å; V269-M271 HydrophobicContact CG2-SD 4.25Å; M271-L288 HydrophobicContact CE-CD2 4.02Å
272A98.6Very high98.2Very high0 Ų038.9 Ų38.90%017%0.173CC..EExtended strand (participates in β ladder)trans-144.5148.1176.700000111.4F18 V20 D122 I123 A276 V277 L282F18-A272 PolarHBondContact N-O 2.81Å; F18-A272 PolarHBondContact O-N 3.15Å; V20-A272 HydrophobicContact CG1-CB 4.23Å; D122-A272 CarbonylContact O-C 3.42Å; D122-A272 VanDerWaalsContact O-CA 3.28Å; D122-A272 WeakPolarHBondContact O-CA 3.23Å; I123-A272 HydrophobicContact CG1-CB 4.14Å; A272-A276 HydrophobicContact CB-CB 4.03Å; A272-V277 HydrophobicContact CB-CG2 3.87Å; A272-L282 HydrophobicContact CB-CD1 3.9Å
273T98Very high98.2Very high3 Ų341.6 Ų41.62%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-68.2159.1166.162.40000110.5L15 G16 F116 D122 E275 A276 V277L15-T273 HydrophobicContact CD2-CG2 4.35Å; G16-T273 CarbonylContact O-C 3.57Å; G16-T273 WeakPolarHBondContact O-CA 3.33Å; F116-T273 HydrophobicContact CB-CG2 3.79Å; F116-T273 HydrophobicContact CD1-CG2 4.22Å; F116-T273 HydrophobicContact CD2-CG2 3.77Å; F116-T273 HydrophobicContact CE2-CG2 4.38Å; F116-T273 HydrophobicContact CG-CG2 3.67Å; D122-T273 HydrophobicContact CB-CG2 4.4Å; D122-T273 PolarHBondContact O-N 3.37Å; D122-T273 PolarHBondContact OD1-OG1 3.26Å; D122-T273 VanDerWaalsContact OD1-OG1 3.04Å; T273-E275 PolarHBondContact O-N 3.47Å; T273-A276 PolarHBondContact O-N 3.02Å; T273-A276 VanDerWaalsContact O-N 3.12Å; T273-A276 PolarHBondContact OG1-N 3.2Å; T273-V277 WeakPolarHBondContact O-CG2 3.48Å; T273-V277 PolarHBondContact O-N 3.19Å
274E96.6Very high98.1Very high72 Ų7243.3 Ų43.334%0.33621%0.205SC..Hα-helixtrans-54-40.5176.1-164.6-179.9151.900112.4G16 F18 V277 K278G16-E274 PolarHBondContact O-N 2.9Å; F18-E274 HydrophobicContact CD2-CB 4.47Å; F18-E274 HydrophobicContact CE2-CB 3.74Å; F18-E274 HydrophobicContact CE2-CG 3.82Å; F18-E274 HydrophobicContact CZ-CG 4.42Å; E274-V277 PolarHBondContact O-N 3.44Å; E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 2.89Å; E274-K278 VanDerWaalsContact OE1-CE 3.23Å; E274-K278 WeakPolarHBondContact OE1-CE 3.25Å; E274-K278 IonicContact OE1-NZ 3.34Å; E274-K278 PolarHBondContact OE1-NZ 3.37Å
275E96.2Very high98.1Very high113 Ų11344.1 Ų44.153%0.52821%0.209SC..Hα-helixtrans-67.6-39.9178.7-64.4-53.211600111.7T273 K278 K279T273-E275 PolarHBondContact O-N 3.47Å; E275-K278 PolarHBondContact O-N 2.8Å; E275-K278 IonicContact OE1-NZ 2.93Å; E275-K278 PolarHBondContact OE1-NZ 3.01Å; E275-K279 WeakPolarHBondContact O-CB 3.48Å; E275-K279 PolarHBondContact O-N 2.85Å
276A98.1Very high98.1Very high2 Ų244.1 Ų44.12%0.01721%0.209CC..Hα-helixtrans-64.5-40.9171.400000112.7D122 I123 A272 T273 K278 K279 H280D122-A276 HydrophobicContact CB-CB 3.9Å; I123-A276 HydrophobicContact CD1-CB 4.08Å; I123-A276 HydrophobicContact CG1-CB 3.71Å; A272-A276 HydrophobicContact CB-CB 4.03Å; T273-A276 PolarHBondContact O-N 3.02Å; T273-A276 VanDerWaalsContact O-N 3.12Å; T273-A276 PolarHBondContact OG1-N 3.2Å; A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 2.89Å; A276-K279 PolarHBondContact O-N 3.4Å; A276-H280 WeakPolarHBondContact O-CB 3.25Å; A276-H280 PolarHBondContact O-CD2 3.34Å; A276-H280 PolarHBondContact O-N 3.37Å
277V98.3Very high98Very high17 Ų1746.5 Ų46.510%0.10322%0.218CC..Hα-helixtrans-56.7-47.1175.7170.30000110.4F18 V20 A272 T273 E274 R281 L282 P284F18-V277 HydrophobicContact CB-CG2 4.03Å; F18-V277 HydrophobicContact CD2-CG2 3.92Å; F18-V277 HydrophobicContact CG-CG2 4.2Å; V20-V277 HydrophobicContact CG1-CG2 4.06Å; A272-V277 HydrophobicContact CB-CG2 3.87Å; T273-V277 WeakPolarHBondContact O-CG2 3.48Å; T273-V277 PolarHBondContact O-N 3.19Å; E274-V277 PolarHBondContact O-N 3.44Å; V277-R281 CarbonylContact O-C 3.57Å; V277-R281 WeakPolarHBondContact O-CA 3.3Å; V277-R281 PolarHBondContact O-N 3.12Å; V277-L282 HydrophobicContact CG1-CB 4.4Å; V277-L282 HydrophobicContact CG2-CB 4.5Å; V277-L282 PolarHBondContact O-N 3.37Å; V277-P284 HydrophobicContact CG1-CG 4.08Å
278K97.5Very high98Very high113 Ų11346.5 Ų46.549%0.49122%0.218SC..Hα-helixtrans-65.6-51.1177-67.8168-171.1157.60112E274 E275 A276 H280 R281E274-K278 WeakPolarHBondContact O-CG 3.38Å; E274-K278 PolarHBondContact O-N 2.89Å; E274-K278 VanDerWaalsContact OE1-CE 3.23Å; E274-K278 WeakPolarHBondContact OE1-CE 3.25Å; E274-K278 IonicContact OE1-NZ 3.34Å; E274-K278 PolarHBondContact OE1-NZ 3.37Å; E275-K278 PolarHBondContact O-N 2.8Å; E275-K278 IonicContact OE1-NZ 2.93Å; E275-K278 PolarHBondContact OE1-NZ 3.01Å; A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 2.89Å; K278-H280 PolarHBondContact O-N 2.88Å; K278-R281 PolarHBondContact O-N 2.88Å
279K98Very high97.9Very high155 Ų15547 Ų4767%0.67422%0.221SC*.Hα-helixtrans-60-45.4-176.1177.1-175.3170-161.40112.3E275 A276E275-K279 WeakPolarHBondContact O-CB 3.48Å; E275-K279 PolarHBondContact O-N 2.85Å; A276-K279 PolarHBondContact O-N 3.4Å
280H98Very high97.8Very high56 Ų5647 Ų4726%0.25922%0.22SC..Hα-helixtrans-93.71.7-177.4-63.2-96.5000112.9D60 A276 K278 L282D60-H280 IonicContact OD1-CE1 3.69Å; D60-H280 IonicContact OD2-CE1 3.53Å; D60-H280 PolarHBondContact OD2-CE1 2.9Å; D60-H280 VanDerWaalsContact OD2-CE1 3.29Å; D60-H280 IonicContact OD2-ND1 3.29Å; D60-H280 PolarHBondContact OD2-ND1 3.1Å; A276-H280 WeakPolarHBondContact O-CB 3.25Å; A276-H280 PolarHBondContact O-CD2 3.34Å; A276-H280 PolarHBondContact O-N 3.37Å; K278-H280 PolarHBondContact O-N 2.88Å; H280-L282 VanDerWaalsContact C-N 3.28Å; H280-L282 HydrophobicContact CB-CD1 4.25Å; H280-L282 HydrophobicContact CB-CD2 3.87Å; H280-L282 HydrophobicContact CB-CG 3.81Å; H280-L282 PolarHBondContact O-N 3.08Å
281R98Very high97.8Very high226 Ų22648.5 Ų48.585%0.85323%0.226SC*.THydrogen-bonded Turntrans54.742.2-179.5-54.1178.5-176.3175.90.6112.7V277 K278V277-R281 CarbonylContact O-C 3.57Å; V277-R281 WeakPolarHBondContact O-CA 3.3Å; V277-R281 PolarHBondContact O-N 3.12Å; K278-R281 PolarHBondContact O-N 2.88Å
282L98Very high97.8Very high17 Ų1752.3 Ų52.39%0.08924%0.243CC..  trans-75.4154.5-179.5-51.9177.2000110.3V20 V56 I123 A272 V277 H280 P284V20-L282 HydrophobicContact CB-CB 4.46Å; V20-L282 HydrophobicContact CG1-CB 3.95Å; V20-L282 HydrophobicContact CG1-CD1 4.1Å; V20-L282 HydrophobicContact CG2-CD1 4.37Å; V56-L282 HydrophobicContact CG2-CD1 3.78Å; V56-L282 HydrophobicContact CG2-CD2 3.75Å; V56-L282 HydrophobicContact CG2-CG 4.44Å; I123-L282 HydrophobicContact CD1-CD1 4.49Å; A272-L282 HydrophobicContact CB-CD1 3.9Å; V277-L282 HydrophobicContact CG1-CB 4.4Å; V277-L282 HydrophobicContact CG2-CB 4.5Å; V277-L282 PolarHBondContact O-N 3.37Å; H280-L282 VanDerWaalsContact C-N 3.28Å; H280-L282 HydrophobicContact CB-CD1 4.25Å; H280-L282 HydrophobicContact CB-CD2 3.87Å; H280-L282 HydrophobicContact CB-CG 3.81Å; H280-L282 PolarHBondContact O-N 3.08Å; L282-P284 VanDerWaalsContact O-CD 3.28Å; L282-P284 WeakPolarHBondContact O-CD 3.42Å
283S96.9Very high97.8Very high98 Ų9854.5 Ų54.569%0.68526%0.256SS*.  trans-103.496.6175.3-66.10000109.9
284P97.7Very high97.8Very high37 Ų3755.7 Ų55.724%0.2426%0.263CS..  trans-66.2141.5-178.228.4-34.3000111.2F18 V20 V277 L282 V405F18-P284 HydrophobicContact CB-CB 3.84Å; F18-P284 HydrophobicContact CD1-CB 3.73Å; F18-P284 HydrophobicContact CD1-CG 4.37Å; F18-P284 HydrophobicContact CG-CB 3.95Å; V20-P284 HydrophobicContact CG1-CB 4.48Å; V277-P284 HydrophobicContact CG1-CG 4.08Å; L282-P284 VanDerWaalsContact O-CD 3.28Å; L282-P284 WeakPolarHBondContact O-CD 3.42Å; P284-V405 HydrophobicContact CB-CG2 3.93Å; P284-V405 HydrophobicContact CG-CG2 3.88Å; P284-V405 WeakPolarHBondContact O-CG2 3.21Å
285M97.8Very high97.9Very high16 Ų1655.2 Ų55.28%0.07928%0.277CS..SBendtrans-91.8-44.6175.1-61.9178.269.600111.3I19 A22 V375 H376I19-M285 PolarHBondContact O-N 3.35Å; A22-M285 HydrophobicContact CB-SD 4.47Å; M285-V375 HydrophobicContact CB-CB 4.27Å; M285-V375 HydrophobicContact CE-CB 4.09Å; M285-V375 HydrophobicContact CE-CG2 3.55Å; M285-V375 HydrophobicContact SD-CG2 4.15Å; M285-H376 WeakPolarHBondContact CE-CE1 3.34Å; M285-H376 WeakPolarHBondContact CE-ND1 3.41Å
286A98.2Very high98Very high0 Ų051.7 Ų51.70%027%0.265CS..EExtended strand (participates in β ladder)trans-152.8155.1179.900000110.9F18 I19 V375 E403F18-A286 CarbonylContact C-O 3.52Å; F18-A286 WeakPolarHBondContact CA-O 3.39Å; I19-A286 PolarHBondContact N-O 3.12Å; I19-A286 PolarHBondContact O-N 3.26Å; A286-V375 HydrophobicContact CB-CB 4.21Å; A286-V375 HydrophobicContact CB-CG1 3.59Å; A286-E403 CarbonylContact C-O 3.58Å; A286-E403 WeakPolarHBondContact CA-O 3.5Å; A286-E403 WeakPolarHBondContact CB-O 3.46Å
287R98Very high98Very high51 Ų5155.2 Ų55.219%0.19228%0.284CS..EExtended strand (participates in β ladder)trans-95.6133.3169.8-170.1173.570.5114.2-7109.9Y13 I17 F18 V289 L402 E403 V405Y13-R287 PolarHBondContact O-NH1 3.48Å; I17-R287 CarbonylContact O-C 3.57Å; I17-R287 WeakPolarHBondContact O-CA 3.32Å; I17-R287 WeakPolarHBondContact O-CG 3.42Å; F18-R287 HydrophobicContact CD1-CB 3.87Å; F18-R287 HydrophobicContact CD1-CG 4.15Å; F18-R287 HydrophobicContact CE1-CB 3.76Å; F18-R287 HydrophobicContact CE1-CG 3.85Å; F18-R287 HydrophobicContact CZ-CG 4.29Å; R287-V289 PolarHBondContact O-N 3.19Å; R287-L402 CarbonylContact O-C 3.5Å; R287-L402 WeakPolarHBondContact O-CA 2.98Å; R287-E403 HydrophobicContact CB-CB 4.32Å; R287-E403 IonicContact CZ-OE2 3.84Å; R287-E403 PolarHBondContact N-O 2.86Å; R287-E403 IonicContact NE-OE2 3.6Å; R287-E403 PolarHBondContact NE-OE2 2.81Å; R287-E403 IonicContact NH2-OE2 2.68Å; R287-E403 PolarHBondContact NH2-OE2 3.12Å; R287-E403 PolarHBondContact O-N 3.41Å; R287-V405 HydrophobicContact CB-CG1 4.03Å
288L98.3Very high97.9Very high0 Ų055.6 Ų55.60%029%0.286CS..EExtended strand (participates in β ladder)trans-78.2105.6165.717766.5000108.3I17 V109 A113 M271 W291 I400 L402I17-L288 HydrophobicContact CB-CB 4.44Å; I17-L288 HydrophobicContact CG2-CB 4.23Å; I17-L288 HydrophobicContact CG2-CD2 4.35Å; I17-L288 PolarHBondContact O-N 2.98Å; V109-L288 HydrophobicContact CG1-CD1 4.43Å; V109-L288 HydrophobicContact CG1-CD2 3.77Å; A113-L288 HydrophobicContact CB-CD2 3.84Å; M271-L288 HydrophobicContact CE-CD2 4.02Å; L288-W291 HydrophobicContact CD2-CE3 3.98Å; L288-W291 HydrophobicContact CD2-CZ3 3.98Å; L288-W291 HydrophobicContact CG-CE3 4.25Å; L288-W291 HydrophobicContact CG-CZ3 4.42Å; L288-I400 HydrophobicContact CD1-CB 4.13Å; L288-I400 HydrophobicContact CD1-CD1 4.21Å; L288-L402 HydrophobicContact CB-CD2 4.48Å; L288-L402 HydrophobicContact CD1-CD2 4.1Å
289V97.1Very high98Very high10 Ų1051 Ų516%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-81.7-50.3-176.2-176.70000110.5Y13 R287 V316 L401 E403Y13-V289 HydrophobicContact CD1-CG1 4.02Å; Y13-V289 WeakPolarHBondContact CD1-O 3.45Å; Y13-V289 HydrophobicContact CE1-CG1 4.13Å; Y13-V289 WeakPolarHBondContact CE1-O 3.42Å; R287-V289 PolarHBondContact O-N 3.19Å; V289-V316 HydrophobicContact CG1-CG1 4.24Å; V289-L401 HydrophobicContact CB-CB 4.24Å; V289-L401 HydrophobicContact CB-CD2 3.83Å; V289-L401 HydrophobicContact CB-CG 3.88Å; V289-L401 HydrophobicContact CG1-CD2 3.79Å; V289-L401 HydrophobicContact CG1-CG 4.4Å; V289-L401 HydrophobicContact CG2-CD2 4.36Å; V289-L401 HydrophobicContact CG2-CG 4.19Å; V289-L401 PolarHBondContact N-O 2.76Å; V289-E403 HydrophobicContact CG2-CB 3.57Å
290A97.5Very high97.9Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-159.8172.5176.300000113.2Y13 L312 V316 I400 L401Y13-A290 HydrophobicContact CD1-CB 4.37Å; Y13-A290 HydrophobicContact CE1-CB 3.24Å; Y13-A290 VanDerWaalsContact OH-CB 3.31Å; Y13-A290 WeakPolarHBondContact OH-CB 3.26Å; A290-L312 HydrophobicContact CB-CD1 3.46Å; A290-L312 VanDerWaalsContact CB-CD1 3.46Å; A290-V316 HydrophobicContact CB-CG1 3.85Å; A290-I400 CarbonylContact O-C 3.57Å; A290-I400 WeakPolarHBondContact O-CA 3.41Å; A290-L401 PolarHBondContact O-N 3.05Å
291W98.3Very high97.9Very high33 Ų3342.2 Ų42.213%0.12523%0.229CC..EExtended strand (participates in β ladder)trans-140.4161.3168.459.893.9000110.8C12 I110 A113 L117 L288 K315 A399 I400C12-W291 HydrophobicContact CB-CH2 3.61Å; C12-W291 HydrophobicContact CB-CZ3 3.71Å; I110-W291 HydrophobicContact CD1-CB 3.82Å; I110-W291 VanDerWaalsContact CD1-CD1 3.45Å; I110-W291 HydrophobicContact CD1-CG 3.68Å; I110-W291 HydrophobicContact CG1-CB 3.91Å; I110-W291 HydrophobicContact CG1-CD2 4.01Å; I110-W291 HydrophobicContact CG1-CG 3.59Å; I110-W291 HydrophobicContact CG2-CD2 4.32Å; I110-W291 HydrophobicContact CG2-CG 4.36Å; I110-W291 HydrophobicContact CG2-CZ2 4.21Å; A113-W291 HydrophobicContact CB-CH2 3.95Å; A113-W291 HydrophobicContact CB-CZ3 3.99Å; L117-W291 HydrophobicContact CD1-CH2 3.84Å; L117-W291 HydrophobicContact CD1-CZ2 4.46Å; L288-W291 HydrophobicContact CD2-CE3 3.98Å; L288-W291 HydrophobicContact CD2-CZ3 3.98Å; L288-W291 HydrophobicContact CG-CE3 4.25Å; L288-W291 HydrophobicContact CG-CZ3 4.42Å; W291-K315 PolarHBondContact O-NZ 3.22Å; W291-A399 CarbonylContact C-O 3.51Å; W291-A399 WeakPolarHBondContact CA-O 3.41Å; W291-I400 HydrophobicContact CB-CG2 3.94Å
292K98.3Very high97.9Very high80 Ų8031.5 Ų31.535%0.34819%0.189SC..EExtended strand (participates in β ladder)trans-142.5134.1171.2-174.169.8178.2-175.90109.6V294 L312 I398 A399K292-V294 HydrophobicContact CG-CG1 3.92Å; K292-L312 HydrophobicContact CB-CB 3.86Å; K292-I398 CarbonylContact O-C 3.37Å; K292-I398 WeakPolarHBondContact O-CA 3.28Å; K292-A399 PolarHBondContact N-O 3.39Å; K292-A399 PolarHBondContact O-N 3.41Å
293V98.6Very high98Very high45 Ų4531.3 Ų31.327%0.27319%0.188SC..EExtended strand (participates in β ladder)trans-116.1140.4169.1-171.20000108I110 G397 I398I110-V293 HydrophobicContact CD1-CG2 4.08Å; V293-G397 CarbonylContact C-O 3.55Å; V293-G397 WeakPolarHBondContact CA-O 3.2Å; V293-I398 HydrophobicContact CG2-CD1 3.88Å; V293-I398 HydrophobicContact CG2-CG1 4.04Å
294V98.6Very high98.1Very high29 Ų2926.7 Ų26.718%0.17616%0.156CC..EExtended strand (participates in β ladder)trans-137.8158.5-177.7-59.10000111.3K292 A304 A308 Q396 G397K292-V294 HydrophobicContact CG-CG1 3.92Å; V294-A304 HydrophobicContact CG2-CB 4.41Å; V294-A308 HydrophobicContact CG1-CB 4.46Å; V294-A308 HydrophobicContact CG2-CB 3.93Å; V294-Q396 CarbonylContact O-C 3.53Å; V294-Q396 VanDerWaalsContact O-CA 3.27Å; V294-Q396 WeakPolarHBondContact O-CA 3.16Å; V294-G397 PolarHBondContact N-O 2.75Å; V294-G397 PolarHBondContact O-N 3.17Å
295G98.3Very high98.1Very high61 Ų6124.9 Ų24.963%0.62914%0.144SC*.EExtended strand (participates in β ladder)trans-109159.5165.100000111.5G395G295-G395 CarbonylContact C-O 3.57Å; G295-G395 VanDerWaalsContact CA-O 3.25Å; G295-G395 WeakPolarHBondContact CA-O 3.15Å
296C97.9Very high98.2Very high40 Ų4024.1 Ų24.127%0.2714%0.141SC..  trans-158.3-179.5174.869.20000109.8P298 G395C296-P298 WeakPolarHBondContact O-CD 3.37Å; C296-G395 PolarHBondContact N-O 3.25Å; C296-G395 WeakPolarHBondContact O-CA 3.33Å; C296-G395 VanDerWaalsContact O-O 3.13Å
297D98Very high98.2Very high76 Ų7626.7 Ų26.741%0.40616%0.159SC..  trans-59.1120.2174.1172.7-4.3000110.9T299 I300 M301D297-T299 PolarHBondContact O-N 2.91Å; D297-T299 VanDerWaalsContact O-N 3.13Å; D297-T299 WeakPolarHBondContact OD1-CB 3.19Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.03Å; D297-T299 PolarHBondContact OD1-N 2.96Å; D297-T299 PolarHBondContact OD1-OG1 2.82Å; D297-T299 PolarHBondContact OD2-OG1 3.18Å; D297-I300 HydrophobicContact CB-CD1 4.22Å; D297-I300 HydrophobicContact CB-CG1 3.76Å; D297-I300 CarbonylContact O-C 3.5Å; D297-I300 WeakPolarHBondContact O-CG1 3.31Å; D297-I300 PolarHBondContact O-N 3.06Å; D297-M301 PolarHBondContact O-N 3.38Å
298P98Very high98.2Very high25 Ų2524.3 Ų24.316%0.16215%0.149CC..G310 helixtrans-59.2-25.7-178.6-20.330.2000114.5V167 C296 I300 M301 G395V167-P298 HydrophobicContact CG1-CB 3.77Å; V167-P298 HydrophobicContact CG1-CG 4.21Å; V167-P298 HydrophobicContact CG2-CB 4.34Å; C296-P298 WeakPolarHBondContact O-CD 3.37Å; P298-I300 PolarHBondContact O-N 3.42Å; P298-M301 WeakPolarHBondContact O-CB 3.2Å; P298-M301 PolarHBondContact O-N 2.75Å; P298-G395 VanDerWaalsContact CA-CA 3.49Å
299T97.9Very high98.2Very high15 Ų1524.3 Ų24.39%0.09215%0.149CC..G310 helixtrans-71.7-16.5178.769.80000113.7V167 M169 K177 D297V167-T299 HydrophobicContact CB-CG2 3.83Å; V167-T299 HydrophobicContact CG1-CG2 3.66Å; V167-T299 HydrophobicContact CG2-CG2 4.35Å; M169-T299 HydrophobicContact CE-CG2 3.92Å; M169-T299 HydrophobicContact SD-CG2 4.23Å; K177-T299 VanDerWaalsContact NZ-CB 3.31Å; K177-T299 PolarHBondContact NZ-OG1 2.85Å; D297-T299 PolarHBondContact O-N 2.91Å; D297-T299 VanDerWaalsContact O-N 3.13Å; D297-T299 WeakPolarHBondContact OD1-CB 3.19Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.03Å; D297-T299 PolarHBondContact OD1-N 2.96Å; D297-T299 PolarHBondContact OD1-OG1 2.82Å; D297-T299 PolarHBondContact OD2-OG1 3.18Å
300I97.4Very high98.3Very high19 Ų1928.9 Ų28.910%0.09717%0.166CC..G310 helixtrans-127.626.717757.2167.5000111.4K177 L178 K181 D297 P298 G302 I303K177-I300 HydrophobicContact CD-CG2 4.18Å; K177-I300 HydrophobicContact CG-CG2 4.29Å; L178-I300 HydrophobicContact CD1-CB 4.21Å; K181-I300 HydrophobicContact CD-CD1 4.44Å; K181-I300 HydrophobicContact CD-CG2 4.46Å; D297-I300 HydrophobicContact CB-CD1 4.22Å; D297-I300 HydrophobicContact CB-CG1 3.76Å; D297-I300 CarbonylContact O-C 3.5Å; D297-I300 WeakPolarHBondContact O-CG1 3.31Å; D297-I300 PolarHBondContact O-N 3.06Å; P298-I300 PolarHBondContact O-N 3.42Å; I300-G302 PolarHBondContact O-N 2.9Å; I300-I303 HydrophobicContact CD1-CG2 4.37Å; I300-I303 HydrophobicContact CG1-CG2 4.5Å; I300-I303 VanDerWaalsContact O-CG2 3.28Å; I300-I303 WeakPolarHBondContact O-CG2 3.39Å; I300-I303 PolarHBondContact O-N 3.49Å
301M98Very high98.3Very high8 Ų829.8 Ų29.84%0.03918%0.175CC..G310 helixtrans-49.9-27.2-174.46793-173.400114.8M171 T174 D297 P298 I303 A304 C391M171-M301 HydrophobicContact CB-CE 4.11Å; M171-M301 HydrophobicContact CG-CE 4.19Å; M171-M301 HydrophobicContact SD-CE 3.4Å; M171-M301 WeakPolarHBondContact SD-CE 3.06Å; M171-M301 HydrophobicContact SD-SD 4.35Å; T174-M301 VanDerWaalsContact OG1-CE 3.27Å; T174-M301 WeakPolarHBondContact OG1-CE 3.48Å; D297-M301 PolarHBondContact O-N 3.38Å; P298-M301 WeakPolarHBondContact O-CB 3.2Å; P298-M301 PolarHBondContact O-N 2.75Å; M301-I303 PolarHBondContact O-N 3.32Å; M301-I303 VanDerWaalsContact O-N 3.08Å; M301-A304 VanDerWaalsContact O-CB 3.24Å; M301-A304 WeakPolarHBondContact O-CB 3.19Å; M301-A304 PolarHBondContact O-N 3.44Å; M301-C391 WeakPolarHBondContact O-CB 3.47Å; M301-C391 HydrophobicContact SD-CB 4.03Å
302G98.1Very high98.3Very high1 Ų128.2 Ų28.21%0.0117%0.169CC..G310 helixtrans-55.8-23.4175.900000115I300 P305 Q335 V339I300-G302 PolarHBondContact O-N 2.9Å; G302-P305 VanDerWaalsContact O-CD 3.27Å; G302-P305 WeakPolarHBondContact O-CD 3.24Å; G302-Q335 WeakPolarHBondContact O-CG 3.43Å; G302-Q335 PolarHBondContact O-NE2 3.11Å; G302-V339 WeakPolarHBondContact O-CG2 3.21Å
303I98.6Very high98.3Very high14 Ų1425.1 Ų25.17%0.07216%0.156CC..G310 helixtrans-82-15.4178.8-159.755.3000113.8L178 Y182 I300 M301 P305 A306 A338 V339 E342L178-I303 HydrophobicContact CD1-CB 3.96Å; L178-I303 HydrophobicContact CD2-CB 4.39Å; Y182-I303 HydrophobicContact CE1-CD1 4.21Å; Y182-I303 HydrophobicContact CE2-CD1 3.92Å; Y182-I303 HydrophobicContact CE2-CG1 4.17Å; Y182-I303 WeakPolarHBondContact OH-CD1 3.33Å; Y182-I303 WeakPolarHBondContact OH-CG1 3.42Å; I300-I303 HydrophobicContact CD1-CG2 4.37Å; I300-I303 HydrophobicContact CG1-CG2 4.5Å; I300-I303 VanDerWaalsContact O-CG2 3.28Å; I300-I303 WeakPolarHBondContact O-CG2 3.39Å; I300-I303 PolarHBondContact O-N 3.49Å; M301-I303 PolarHBondContact O-N 3.32Å; M301-I303 VanDerWaalsContact O-N 3.08Å; I303-P305 VanDerWaalsContact C-N 3.29Å; I303-P305 VanDerWaalsContact O-N 3.13Å; I303-A306 HydrophobicContact CD1-CB 4.2Å; I303-A306 HydrophobicContact CG1-CB 4.44Å; I303-A306 WeakPolarHBondContact O-CB 3.36Å; I303-A306 PolarHBondContact O-N 2.71Å; I303-A338 HydrophobicContact CD1-CB 4.21Å; I303-V339 HydrophobicContact CD1-CG2 4.37Å; I303-E342 HydrophobicContact CD1-CB 3.86Å; I303-E342 HydrophobicContact CD1-CG 4Å
304A98.7Very high98.3Very high0 Ų028.3 Ų28.30%018%0.176CC..Hα-helixtrans-54.3-32.1-174.300000115.6V294 M301 A306 S307 A308 Q396 G397V294-A304 HydrophobicContact CG2-CB 4.41Å; M301-A304 VanDerWaalsContact O-CB 3.24Å; M301-A304 WeakPolarHBondContact O-CB 3.19Å; M301-A304 PolarHBondContact O-N 3.44Å; A304-A306 PolarHBondContact O-N 3.21Å; A304-S307 PolarHBondContact O-N 2.82Å; A304-A308 WeakPolarHBondContact O-CB 3.48Å; A304-A308 PolarHBondContact O-N 3.03Å; A304-Q396 WeakPolarHBondContact CB-O 3.02Å; A304-G397 VanDerWaalsContact CB-CA 3.49Å
305P98.8Very high98.2Very high0 Ų031 Ų310%019%0.186CC..Hα-helixtrans-51.1-40.2170.2-32.340.2000113.7G302 I303 S307 A308 I309 V328 V339 S389 C391G302-P305 VanDerWaalsContact O-CD 3.27Å; G302-P305 WeakPolarHBondContact O-CD 3.24Å; I303-P305 VanDerWaalsContact C-N 3.29Å; I303-P305 VanDerWaalsContact O-N 3.13Å; P305-S307 PolarHBondContact O-N 3.49Å; P305-A308 PolarHBondContact O-N 2.9Å; P305-I309 WeakPolarHBondContact O-CB 3.4Å; P305-I309 VanDerWaalsContact O-CG1 3.23Å; P305-I309 WeakPolarHBondContact O-CG1 3.37Å; P305-I309 PolarHBondContact O-N 2.71Å; P305-V328 HydrophobicContact CB-CG1 4.27Å; P305-V328 HydrophobicContact CG-CG1 4.43Å; P305-V339 HydrophobicContact CB-CG1 4.05Å; P305-V339 HydrophobicContact CB-CG2 3.95Å; P305-V339 HydrophobicContact CG-CG2 4.15Å; P305-S389 WeakPolarHBondContact CA-OG 3.44Å; P305-S389 WeakPolarHBondContact CB-OG 3.39Å; P305-C391 HydrophobicContact CG-CB 3.93Å; P305-C391 VanDerWaalsContact CG-N 3.31Å
306A98.7Very high98Very high0 Ų029.5 Ų29.50%016%0.164CC..Hα-helixtrans-61.1-47.118000000111.5I303 A304 I309 R310 V339 E342 L343I303-A306 HydrophobicContact CD1-CB 4.2Å; I303-A306 HydrophobicContact CG1-CB 4.44Å; I303-A306 WeakPolarHBondContact O-CB 3.36Å; I303-A306 PolarHBondContact O-N 2.71Å; A304-A306 PolarHBondContact O-N 3.21Å; A306-I309 PolarHBondContact O-N 3.23Å; A306-R310 WeakPolarHBondContact O-CG 3.34Å; A306-R310 PolarHBondContact O-N 3.49Å; A306-V339 HydrophobicContact CB-CG1 4.48Å; A306-E342 HydrophobicContact CB-CB 4.2Å; A306-E342 HydrophobicContact CB-CG 3.65Å; A306-L343 HydrophobicContact CB-CD1 4.33Å; A306-L343 HydrophobicContact CB-CD2 4.04Å; A306-L343 HydrophobicContact CB-CG 3.87Å
307S98.5Very high97.9Very high54 Ų5435 Ų3538%0.37819%0.191SC..Hα-helixtrans-66.9-37.4176.1-61.50000112.5A304 P305 G311A304-S307 PolarHBondContact O-N 2.82Å; P305-S307 PolarHBondContact O-N 3.49Å; S307-G311 PolarHBondContact O-N 2.77Å
308A98.8Very high97.9Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-64.6-45.7176.800000111.4V294 A304 P305 G311 L312 A399V294-A308 HydrophobicContact CG1-CB 4.46Å; V294-A308 HydrophobicContact CG2-CB 3.93Å; A304-A308 WeakPolarHBondContact O-CB 3.48Å; A304-A308 PolarHBondContact O-N 3.03Å; P305-A308 PolarHBondContact O-N 2.9Å; A308-G311 PolarHBondContact O-N 3.12Å; A308-L312 WeakPolarHBondContact O-CB 3.37Å; A308-L312 PolarHBondContact O-N 3.16Å; A308-A399 HydrophobicContact CB-CB 3.79Å
309I98.9Very high97.9Very high0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-65.7-47.7178.6-68171.8000110.9P305 A306 G311 L312 L313 V326 V328 L343 I387 A399P305-I309 WeakPolarHBondContact O-CB 3.4Å; P305-I309 VanDerWaalsContact O-CG1 3.23Å; P305-I309 WeakPolarHBondContact O-CG1 3.37Å; P305-I309 PolarHBondContact O-N 2.71Å; A306-I309 PolarHBondContact O-N 3.23Å; I309-G311 PolarHBondContact O-N 3.01Å; I309-L312 WeakPolarHBondContact O-CB 3.28Å; I309-L312 PolarHBondContact O-N 3.37Å; I309-L313 HydrophobicContact CG2-CD1 3.88Å; I309-L313 HydrophobicContact CG2-CG 4.38Å; I309-L313 WeakPolarHBondContact O-CB 3.3Å; I309-L313 WeakPolarHBondContact O-CG 3.33Å; I309-L313 PolarHBondContact O-N 3.24Å; I309-V326 HydrophobicContact CD1-CG1 4.3Å; I309-V328 HydrophobicContact CD1-CG2 4.33Å; I309-L343 HydrophobicContact CB-CD1 3.99Å; I309-L343 HydrophobicContact CD1-CD1 3.67Å; I309-L343 HydrophobicContact CG1-CD1 4.41Å; I309-L343 HydrophobicContact CG2-CD1 3.97Å; I309-I387 HydrophobicContact CD1-CG2 4.16Å; I309-I387 HydrophobicContact CG1-CG2 3.9Å; I309-I387 HydrophobicContact CG2-CD1 4.23Å; I309-A399 HydrophobicContact CG1-CB 3.94Å
310R98.6Very high98Very high106 Ų10640.6 Ų40.640%0.421%0.211SC..Hα-helixtrans-58.1-49175.2-74.9176.7-176.3151-3.9111.3A306 L312 L313 T314 E342 L343A306-R310 WeakPolarHBondContact O-CG 3.34Å; A306-R310 PolarHBondContact O-N 3.49Å; R310-L312 VanDerWaalsContact C-N 3.28Å; R310-L312 PolarHBondContact O-N 2.9Å; R310-L313 PolarHBondContact O-N 3.3Å; R310-T314 WeakPolarHBondContact O-CB 3.4Å; R310-T314 PolarHBondContact O-N 3.36Å; R310-T314 PolarHBondContact O-OG1 2.89Å; R310-T314 VanDerWaalsContact O-OG1 3.04Å; R310-E342 IonicContact CZ-OE1 2.73Å; R310-E342 IonicContact NH1-OE1 2.75Å; R310-E342 PolarHBondContact NH1-OE1 3.18Å; R310-E342 PolarHBondContact NH2-O 2.77Å; R310-E342 IonicContact NH2-OE1 3.21Å; R310-E342 PolarHBondContact NH2-OE1 2.83Å; R310-L343 HydrophobicContact CG-CD2 3.78Å
311G98.2Very high98Very high20 Ų2043.7 Ų43.721%0.20623%0.234CC..Hα-helixtrans-62.3-35178.900000113.1S307 A308 I309 K315S307-G311 PolarHBondContact O-N 2.77Å; A308-G311 PolarHBondContact O-N 3.12Å; I309-G311 PolarHBondContact O-N 3.01Å; G311-K315 VanDerWaalsContact O-CB 3.29Å; G311-K315 WeakPolarHBondContact O-CB 3.18Å; G311-K315 PolarHBondContact O-N 2.99Å; G311-K315 VanDerWaalsContact O-N 3.11Å
312L98.4Very high98Very high0 Ų046.6 Ų46.60%025%0.25CC..Hα-helixtrans-65.6-52.1173.6174.961.1000111.2A290 K292 A308 I309 R310 T314 K315 V316 I387 A399 L401A290-L312 HydrophobicContact CB-CD1 3.46Å; A290-L312 VanDerWaalsContact CB-CD1 3.46Å; K292-L312 HydrophobicContact CB-CB 3.86Å; A308-L312 WeakPolarHBondContact O-CB 3.37Å; A308-L312 PolarHBondContact O-N 3.16Å; I309-L312 WeakPolarHBondContact O-CB 3.28Å; I309-L312 PolarHBondContact O-N 3.37Å; R310-L312 VanDerWaalsContact C-N 3.28Å; R310-L312 PolarHBondContact O-N 2.9Å; L312-T314 PolarHBondContact O-N 2.86Å; L312-K315 WeakPolarHBondContact O-CA 3.32Å; L312-K315 VanDerWaalsContact O-CB 3.31Å; L312-K315 WeakPolarHBondContact O-CB 3.45Å; L312-K315 PolarHBondContact O-N 3.36Å; L312-V316 WeakPolarHBondContact O-CG2 3.43Å; L312-V316 PolarHBondContact O-N 3.15Å; L312-V316 VanDerWaalsContact O-N 3.15Å; L312-I387 HydrophobicContact CD2-CD1 4.35Å; L312-I387 HydrophobicContact CD2-CG1 4.46Å; L312-I387 HydrophobicContact CD2-CG2 4.48Å; L312-A399 HydrophobicContact CB-CB 4.47Å; L312-A399 HydrophobicContact CD2-CB 3.76Å; L312-L401 HydrophobicContact CD1-CB 4.22Å; L312-L401 HydrophobicContact CD2-CB 3.98Å; L312-L401 HydrophobicContact CG-CB 4.3Å
313L98.3Very high98Very high14 Ų1446.7 Ų46.77%0.07325%0.25CC..Hα-helixtrans-60-43.5179.3-73.6173000112.2I309 R310 K315 V316 N317 M318 L320 I323 I387I309-L313 HydrophobicContact CG2-CD1 3.88Å; I309-L313 HydrophobicContact CG2-CG 4.38Å; I309-L313 WeakPolarHBondContact O-CB 3.3Å; I309-L313 WeakPolarHBondContact O-CG 3.33Å; I309-L313 PolarHBondContact O-N 3.24Å; R310-L313 PolarHBondContact O-N 3.3Å; L313-K315 VanDerWaalsContact C-N 3.31Å; L313-K315 PolarHBondContact O-N 2.78Å; L313-V316 CarbonylContact O-C 3.57Å; L313-V316 WeakPolarHBondContact O-CG2 3.3Å; L313-V316 PolarHBondContact O-N 3.28Å; L313-N317 PolarHBondContact O-N 2.88Å; L313-M318 WeakPolarHBondContact CB-O 3.49Å; L313-M318 HydrophobicContact CD2-CB 3.93Å; L313-M318 PolarHBondContact O-N 3.21Å; L313-L320 HydrophobicContact CD1-CB 4.06Å; L313-L320 HydrophobicContact CD1-CD1 4.3Å; L313-I323 HydrophobicContact CD2-CD1 3.93Å; L313-I323 HydrophobicContact CD2-CG1 3.97Å; L313-I387 HydrophobicContact CD2-CD1 3.95Å; L313-I387 HydrophobicContact CG-CD1 4.24Å
314T97.8Very high98Very high112 Ų11248.4 Ų48.469%0.68726%0.259SS*.Hα-helixtrans-59.7-41.8172.4-58.60000111.6R310 L312 V316 N317R310-T314 WeakPolarHBondContact O-CB 3.4Å; R310-T314 PolarHBondContact O-N 3.36Å; R310-T314 PolarHBondContact O-OG1 2.89Å; R310-T314 VanDerWaalsContact O-OG1 3.04Å; L312-T314 PolarHBondContact O-N 2.86Å; T314-V316 PolarHBondContact O-N 3.42Å; T314-N317 PolarHBondContact O-N 2.96Å
315K95.5Very high98Very high86 Ų8648.6 Ų48.637%0.37426%0.26SS..Hα-helixtrans-65-23.8179.8-163.3-159.8164.3-160.60112.9Y13 W291 G311 L312 L313Y13-K315 HydrophobicContact CE2-CG 4.43Å; Y13-K315 WeakPolarHBondContact OH-CD 3.34Å; Y13-K315 WeakPolarHBondContact OH-CE 3.18Å; Y13-K315 WeakPolarHBondContact OH-CG 3.46Å; Y13-K315 PolarHBondContact OH-O 2.97Å; W291-K315 PolarHBondContact O-NZ 3.22Å; G311-K315 VanDerWaalsContact O-CB 3.29Å; G311-K315 WeakPolarHBondContact O-CB 3.18Å; G311-K315 PolarHBondContact O-N 2.99Å; G311-K315 VanDerWaalsContact O-N 3.11Å; L312-K315 WeakPolarHBondContact O-CA 3.32Å; L312-K315 VanDerWaalsContact O-CB 3.31Å; L312-K315 WeakPolarHBondContact O-CB 3.45Å; L312-K315 PolarHBondContact O-N 3.36Å; L313-K315 VanDerWaalsContact C-N 3.31Å; L313-K315 PolarHBondContact O-N 2.78Å
316V95.6Very high98Very high30 Ų3048.9 Ų48.918%0.18226%0.262CS..Hα-helixtrans-106.12.1176.5-65.50000113.8Y13 V289 A290 L312 L313 T314 M318 L401Y13-V316 HydrophobicContact CD1-CG1 4.24Å; Y13-V316 HydrophobicContact CE1-CG1 3.26Å; Y13-V316 WeakPolarHBondContact OH-CG1 3.35Å; V289-V316 HydrophobicContact CG1-CG1 4.24Å; A290-V316 HydrophobicContact CB-CG1 3.85Å; L312-V316 WeakPolarHBondContact O-CG2 3.43Å; L312-V316 PolarHBondContact O-N 3.15Å; L312-V316 VanDerWaalsContact O-N 3.15Å; L313-V316 CarbonylContact O-C 3.57Å; L313-V316 WeakPolarHBondContact O-CG2 3.3Å; L313-V316 PolarHBondContact O-N 3.28Å; T314-V316 PolarHBondContact O-N 3.42Å; V316-M318 VanDerWaalsContact C-N 3.27Å; V316-M318 HydrophobicContact CB-CG 4.18Å; V316-M318 HydrophobicContact CB-SD 4.33Å; V316-M318 HydrophobicContact CG2-CB 3.73Å; V316-M318 HydrophobicContact CG2-CG 3.59Å; V316-M318 HydrophobicContact CG2-SD 3.77Å; V316-M318 PolarHBondContact O-N 3.12Å; V316-L401 HydrophobicContact CB-CD2 4.47Å; V316-L401 HydrophobicContact CG1-CD2 4.12Å; V316-L401 HydrophobicContact CG2-CD2 3.98Å
317N96.2Very high98Very high154 Ų15449 Ų4982%0.82426%0.263SS*.THydrogen-bonded Turntrans52.642.7-173.4-168.243.3000113.4L313 T314L313-N317 PolarHBondContact O-N 2.88Å; T314-N317 PolarHBondContact O-N 2.96Å
318M97.9Very high98Very high36 Ų3646.5 Ų46.518%0.17725%0.245CC..  trans-114162.8175.3-63.9179.669.100110.9L313 V316 D322 I323 Y385 L401L313-M318 WeakPolarHBondContact CB-O 3.49Å; L313-M318 HydrophobicContact CD2-CB 3.93Å; L313-M318 PolarHBondContact O-N 3.21Å; V316-M318 VanDerWaalsContact C-N 3.27Å; V316-M318 HydrophobicContact CB-CG 4.18Å; V316-M318 HydrophobicContact CB-SD 4.33Å; V316-M318 HydrophobicContact CG2-CB 3.73Å; V316-M318 HydrophobicContact CG2-CG 3.59Å; V316-M318 HydrophobicContact CG2-SD 3.77Å; V316-M318 PolarHBondContact O-N 3.12Å; M318-D322 HydrophobicContact CE-CB 3.66Å; M318-I323 HydrophobicContact CE-CD1 4.01Å; M318-Y385 HydrophobicContact CE-CD1 4.21Å; M318-Y385 HydrophobicContact CE-CD2 3.61Å; M318-Y385 HydrophobicContact CE-CE1 4.35Å; M318-Y385 HydrophobicContact CE-CE2 3.74Å; M318-Y385 HydrophobicContact CE-CG 3.86Å; M318-L401 HydrophobicContact SD-CD2 3.82Å
319K97.9Very high98Very high149 Ų14946.5 Ų46.565%0.64825%0.245SC*.  trans-106.6159.3172.3-62.4176.5-176176.10110S321 D322K319-S321 WeakPolarHBondContact CB-OG 3.11Å; K319-S321 PolarHBondContact O-N 2.83Å; K319-D322 PolarHBondContact N-OD2 3.36Å; K319-D322 WeakPolarHBondContact O-CB 3.35Å; K319-D322 PolarHBondContact O-N 2.83Å
320L98.3Very high98Very high50 Ų5046.6 Ų46.626%0.26225%0.246SC..G310 helixtrans-60.6-29.9174.7-174.963.1000112.1L313 D322 I323 V326 L343 L345L313-L320 HydrophobicContact CD1-CB 4.06Å; L313-L320 HydrophobicContact CD1-CD1 4.3Å; L320-D322 PolarHBondContact O-N 3.17Å; L320-I323 WeakPolarHBondContact O-CB 3.36Å; L320-I323 PolarHBondContact O-N 3.37Å; L320-I323 VanDerWaalsContact O-N 3.12Å; L320-V326 HydrophobicContact CD1-CG2 4.26Å; L320-L343 HydrophobicContact CD2-CB 4.38Å; L320-L343 WeakPolarHBondContact CD2-O 3.32Å; L320-L345 HydrophobicContact CD1-CD2 4.04Å; L320-L345 HydrophobicContact CD2-CD2 4.04Å
321S97.9Very high98Very high84 Ų8441.8 Ų41.859%0.58723%0.228SC*.G310 helixtrans-61.9-21.9174.655.10000114K319K319-S321 WeakPolarHBondContact CB-OG 3.11Å; K319-S321 PolarHBondContact O-N 2.83Å
322D97.9Very high98Very high69 Ų6941.9 Ų41.937%0.36922%0.223SC..G310 helixtrans-84.1-4.4-179.7-49.5-29.1000111.7M318 K319 L320 Y385M318-D322 HydrophobicContact CE-CB 3.66Å; K319-D322 PolarHBondContact N-OD2 3.36Å; K319-D322 WeakPolarHBondContact O-CB 3.35Å; K319-D322 PolarHBondContact O-N 2.83Å; L320-D322 PolarHBondContact O-N 3.17Å; D322-Y385 WeakPolarHBondContact O-CD2 3.45Å
323I98.7Very high98Very high2 Ų241.9 Ų41.91%0.0122%0.223CC..  trans-98.8129.9-177.7-49.2-58.4000109.7L313 M318 L320 I325 V326 K349 I387 L401L313-I323 HydrophobicContact CD2-CD1 3.93Å; L313-I323 HydrophobicContact CD2-CG1 3.97Å; M318-I323 HydrophobicContact CE-CD1 4.01Å; L320-I323 WeakPolarHBondContact O-CB 3.36Å; L320-I323 PolarHBondContact O-N 3.37Å; L320-I323 VanDerWaalsContact O-N 3.12Å; I323-I325 VanDerWaalsContact CG2-O 3.29Å; I323-I325 WeakPolarHBondContact CG2-O 3.27Å; I323-V326 HydrophobicContact CB-CG2 4.48Å; I323-V326 HydrophobicContact CG2-CG2 3.78Å; I323-K349 PolarHBondContact O-NZ 3.42Å; I323-I387 HydrophobicContact CD1-CD1 3.8Å; I323-I387 HydrophobicContact CD1-CG1 4.11Å; I323-I387 HydrophobicContact CG1-CD1 3.73Å; I323-I387 HydrophobicContact CG1-CG1 4.3Å; I323-I387 HydrophobicContact CG2-CB 4.3Å; I323-I387 HydrophobicContact CG2-CD1 4.19Å; I323-I387 HydrophobicContact CG2-CG1 3.95Å; I323-L401 HydrophobicContact CD1-CD1 3.8Å
324D98.6Very high98Very high50 Ų5041.2 Ų41.227%0.26722%0.22SC..SBendtrans-89.5-34.9-176.5-61-61000112.4K349 V383 K384 Y385D324-K349 WeakPolarHBondContact O-CB 3.5Å; D324-K349 WeakPolarHBondContact O-CG 3.33Å; D324-V383 HydrophobicContact CB-CB 3.57Å; D324-V383 HydrophobicContact CB-CG1 4.24Å; D324-V383 HydrophobicContact CB-CG2 3.59Å; D324-K384 WeakPolarHBondContact OD2-CA 3.41Å; D324-K384 PolarHBondContact OD2-N 2.74Å; D324-Y385 WeakPolarHBondContact CB-O 3.45Å; D324-Y385 PolarHBondContact N-O 2.84Å; D324-Y385 PolarHBondContact OD2-N 3.08Å
325I98.5Very high98.1Very high5 Ų536 Ų363%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-137132.6-179.9-49-179.2000109.8I323 K349 V352 L374 E377 L378 V383 Y385 G386 I387I323-I325 VanDerWaalsContact CG2-O 3.29Å; I323-I325 WeakPolarHBondContact CG2-O 3.27Å; I325-K349 WeakPolarHBondContact CA-O 3.44Å; I325-V352 HydrophobicContact CG2-CG2 4.39Å; I325-L374 HydrophobicContact CB-CD2 4.27Å; I325-L374 HydrophobicContact CG2-CD2 3.71Å; I325-E377 HydrophobicContact CD1-CB 4.22Å; I325-E377 HydrophobicContact CD1-CG 3.59Å; I325-L378 HydrophobicContact CD1-CD2 4.02Å; I325-L378 HydrophobicContact CG1-CD2 4.3Å; I325-V383 HydrophobicContact CD1-CG2 3.87Å; I325-V383 HydrophobicContact CG1-CG2 3.99Å; I325-Y385 PolarHBondContact N-O 3.16Å; I325-G386 CarbonylContact O-C 3.49Å; I325-G386 VanDerWaalsContact O-CA 3.24Å; I325-G386 WeakPolarHBondContact O-CA 3.28Å; I325-I387 PolarHBondContact O-N 3.1Å
326V98.8Very high98.2Very high5 Ų531.9 Ų31.93%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-119.8134.8170.5-175.60000108.7I309 L320 I323 V328 L345 K349 T350 N351 I387I309-V326 HydrophobicContact CD1-CG1 4.3Å; L320-V326 HydrophobicContact CD1-CG2 4.26Å; I323-V326 HydrophobicContact CB-CG2 4.48Å; I323-V326 HydrophobicContact CG2-CG2 3.78Å; V326-V328 HydrophobicContact CG1-CG2 4Å; V326-L345 HydrophobicContact CB-CD2 4.29Å; V326-L345 HydrophobicContact CG1-CD1 4.48Å; V326-L345 HydrophobicContact CG1-CD2 4.05Å; V326-L345 HydrophobicContact CG2-CD2 4.15Å; V326-K349 PolarHBondContact N-O 2.99Å; V326-T350 HydrophobicContact CB-CG2 4.33Å; V326-T350 HydrophobicContact CG1-CG2 4.5Å; V326-T350 CarbonylContact O-C 3.51Å; V326-T350 WeakPolarHBondContact O-CA 3.5Å; V326-N351 PolarHBondContact O-N 2.8Å; V326-I387 CarbonylContact C-O 3.58Å; V326-I387 WeakPolarHBondContact CA-O 3.47Å; V326-I387 HydrophobicContact CG1-CG2 4.5Å
327E98.8Very high98.4Very high4 Ų430.6 Ų30.62%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-123.9111.3171.9-163.6172.3160.500110.8N351 R369 I370 H373 L374 I387 G388 S389E327-N351 VanDerWaalsContact CA-OD1 3.25Å; E327-N351 WeakPolarHBondContact CA-OD1 3.36Å; E327-R369 IonicContact OE1-CZ 3.25Å; E327-R369 IonicContact OE1-NH1 2.84Å; E327-R369 PolarHBondContact OE1-NH1 3.24Å; E327-R369 IonicContact OE1-NH2 3.68Å; E327-I370 HydrophobicContact CB-CG2 3.94Å; E327-I370 HydrophobicContact CG-CG1 4.34Å; E327-I370 HydrophobicContact CG-CG2 4.13Å; E327-H373 IonicContact OE2-CD2 2.71Å; E327-H373 PolarHBondContact OE2-CD2 2.97Å; E327-L374 HydrophobicContact CB-CD1 4.27Å; E327-L374 HydrophobicContact CB-CD2 4.05Å; E327-L374 HydrophobicContact CB-CG 4.26Å; E327-I387 PolarHBondContact N-O 2.65Å; E327-G388 CarbonylContact O-C 3.53Å; E327-G388 WeakPolarHBondContact O-CA 3.37Å; E327-S389 PolarHBondContact O-N 3.45Å
328V98.8Very high98.5Very high0 Ų023.3 Ų23.30%012%0.123CC..EExtended strand (participates in β ladder)trans-106.6122.4175.8-179.50000108P305 I309 V326 E330 Y336 V339 L345 N351 S389P305-V328 HydrophobicContact CB-CG1 4.27Å; P305-V328 HydrophobicContact CG-CG1 4.43Å; I309-V328 HydrophobicContact CD1-CG2 4.33Å; V326-V328 HydrophobicContact CG1-CG2 4Å; V328-E330 PolarHBondContact O-N 2.85Å; V328-E330 VanDerWaalsContact O-N 3.08Å; V328-Y336 HydrophobicContact CB-CD2 4.11Å; V328-Y336 HydrophobicContact CB-CE2 4.34Å; V328-Y336 HydrophobicContact CG1-CD2 4.35Å; V328-V339 HydrophobicContact CG1-CB 4.46Å; V328-V339 HydrophobicContact CG1-CG1 4.19Å; V328-V339 HydrophobicContact CG2-CG1 4.12Å; V328-L345 HydrophobicContact CG2-CD1 4.01Å; V328-N351 PolarHBondContact N-OD1 2.99Å; V328-N351 PolarHBondContact O-ND2 3.1Å; V328-N351 PolarHBondContact O-OD1 3.39Å; V328-S389 WeakPolarHBondContact CA-O 3.47Å
329N98.8Very high98.5Very high1 Ų121.6 Ų21.61%0.00512%0.115CC..  trans-56.6114.7176.7-175.264.4000111.5A331 Q335 A356 H361 I370 S389 A390N329-A331 VanDerWaalsContact C-N 3.3Å; N329-A331 PolarHBondContact O-N 2.84Å; N329-Q335 PolarHBondContact O-OE1 3.23Å; N329-Q335 VanDerWaalsContact O-OE1 3.1Å; N329-A356 WeakPolarHBondContact OD1-CB 3.11Å; N329-H361 PolarHBondContact ND2-CE1 2.8Å; N329-H361 PolarHBondContact ND2-ND1 3.45Å; N329-H361 PolarHBondContact ND2-NE2 3.45Å; N329-I370 HydrophobicContact CB-CD1 3.87Å; N329-S389 PolarHBondContact N-O 2.92Å; N329-A390 HydrophobicContact CB-CB 3.7Å
330E98.4Very high98.6Very high2 Ų215.4 Ų15.41%0.0099%0.088CC..  trans-80.868.5-180-55.2173.417100111.3S196 V328 F332 Y336 N351 G355 A356 I357S196-E330 VanDerWaalsContact CB-OE2 3.3Å; S196-E330 WeakPolarHBondContact CB-OE2 3.29Å; S196-E330 PolarHBondContact OG-OE2 3.37Å; V328-E330 PolarHBondContact O-N 2.85Å; V328-E330 VanDerWaalsContact O-N 3.08Å; E330-F332 PolarHBondContact O-N 3.36Å; E330-Y336 HydrophobicContact CG-CD2 3.86Å; E330-Y336 HydrophobicContact CG-CG 4.14Å; E330-N351 VanDerWaalsContact CD-ND2 3.3Å; E330-N351 WeakPolarHBondContact CG-ND2 3.24Å; E330-N351 PolarHBondContact OE1-ND2 3.45Å; E330-G355 VanDerWaalsContact CD-CA 3.45Å; E330-G355 VanDerWaalsContact OE2-CA 3.25Å; E330-G355 WeakPolarHBondContact OE2-CA 3.27Å; E330-G355 PolarHBondContact OE2-N 2.74Å; E330-A356 HydrophobicContact CB-CB 4.34Å; E330-I357 HydrophobicContact CB-CD1 3.88Å; E330-I357 HydrophobicContact CB-CG1 3.79Å; E330-I357 PolarHBondContact OE2-N 2.96Å
331A98.5Very high98.6Very high5 Ų518 Ų184%0.04110%0.097CC..SBendtrans-58.8-42.3175.500000110.6S260 N329S260-A331 PolarHBondContact N-O 2.89Å; S260-A331 PolarHBondContact OG-O 3.11Å; N329-A331 VanDerWaalsContact C-N 3.3Å; N329-A331 PolarHBondContact O-N 2.84Å
332F98.7Very high98.6Very high22 Ų2216.9 Ų16.910%0.0968%0.083CC..BIsolated β-bridgetrans-143.5146.5173.2-57.9-82.4000109.6M171 A175 F248 V254 A259 E330 S334 Q335 Y336M171-F332 HydrophobicContact CB-CE2 3.94Å; M171-F332 HydrophobicContact CB-CZ 4.23Å; A175-F332 HydrophobicContact CB-CB 3.67Å; A175-F332 HydrophobicContact CB-CD1 4.29Å; A175-F332 HydrophobicContact CB-CD2 3.55Å; A175-F332 HydrophobicContact CB-CE2 4.28Å; A175-F332 HydrophobicContact CB-CG 3.56Å; F248-F332 AromaticContact CE2-CE1 3.98Å; F248-F332 HydrophobicContact CE2-CE1 3.98Å; F248-F332 HydrophobicContact CZ-CE1 4.34Å; V254-F332 HydrophobicContact CG1-CD1 3.57Å; V254-F332 HydrophobicContact CG1-CE1 3.97Å; A259-F332 HydrophobicContact CB-CD1 3.59Å; A259-F332 HydrophobicContact CB-CE1 3.82Å; E330-F332 PolarHBondContact O-N 3.36Å; F332-S334 VanDerWaalsContact C-N 3.3Å; F332-S334 PolarHBondContact O-N 3.46Å; F332-Q335 HydrophobicContact CB-CB 4.16Å; F332-Q335 WeakPolarHBondContact O-CB 3.48Å; F332-Q335 PolarHBondContact O-N 3.49Å; F332-Q335 VanDerWaalsContact O-N 3.12Å; F332-Y336 PolarHBondContact O-N 3.07Å
333A98.8Very high98.6Very high0 Ų014.4 Ų14.40%07%0.069CC..Hα-helixtrans-61.1-37.9178.900000112.4C189 I192 N258 Q335 Y336 A337 I357C189-A333 HydrophobicContact CB-CB 3.82Å; C189-A333 WeakPolarHBondContact O-CB 3.5Å; I192-A333 HydrophobicContact CB-CB 4.2Å; I192-A333 HydrophobicContact CG2-CB 4.05Å; N258-A333 HydrophobicContact CB-CB 3.88Å; N258-A333 VanDerWaalsContact O-CB 3.27Å; N258-A333 WeakPolarHBondContact O-CB 3.47Å; N258-A333 PolarHBondContact O-N 2.91Å; A333-Q335 VanDerWaalsContact C-N 3.31Å; A333-Q335 PolarHBondContact O-N 3.47Å; A333-Y336 PolarHBondContact O-N 3.06Å; A333-A337 VanDerWaalsContact O-CB 3.22Å; A333-A337 WeakPolarHBondContact O-CB 3.36Å; A333-A337 PolarHBondContact O-N 3.11Å; A333-I357 HydrophobicContact CB-CD1 3.78Å
334S98.5Very high98.6Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-66.1-34.2176.661.90000112.8A175 F332 A338A175-S334 WeakPolarHBondContact CB-OG 3.39Å; A175-S334 PolarHBondContact O-OG 2.89Å; F332-S334 VanDerWaalsContact C-N 3.3Å; F332-S334 PolarHBondContact O-N 3.46Å; S334-A338 WeakPolarHBondContact O-CB 3.23Å; S334-A338 PolarHBondContact O-N 3.09Å; S334-A338 VanDerWaalsContact O-N 3.07Å
335Q98.6Very high98.6Very high2 Ų220.6 Ų20.61%0.00910%0.097CC..Hα-helixtrans-66-50.6173.6172.9-82.2-37.400110.9L178 G302 N329 F332 A333 A337 A338 V339L178-Q335 HydrophobicContact CD2-CB 4.41Å; L178-Q335 HydrophobicContact CD2-CG 4.42Å; G302-Q335 WeakPolarHBondContact O-CG 3.43Å; G302-Q335 PolarHBondContact O-NE2 3.11Å; N329-Q335 PolarHBondContact O-OE1 3.23Å; N329-Q335 VanDerWaalsContact O-OE1 3.1Å; F332-Q335 HydrophobicContact CB-CB 4.16Å; F332-Q335 WeakPolarHBondContact O-CB 3.48Å; F332-Q335 PolarHBondContact O-N 3.49Å; F332-Q335 VanDerWaalsContact O-N 3.12Å; A333-Q335 VanDerWaalsContact C-N 3.31Å; A333-Q335 PolarHBondContact O-N 3.47Å; Q335-A337 VanDerWaalsContact C-N 3.32Å; Q335-A337 PolarHBondContact O-N 2.91Å; Q335-A338 PolarHBondContact O-N 3.28Å; Q335-V339 PolarHBondContact O-N 3.08Å
336Y98.8Very high98.5Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-59.8-44.6177168.8-83000110.9I192 R195 V328 E330 F332 A333 A338 V339 E340 T350 N351I192-Y336 HydrophobicContact CD1-CD1 3.9Å; I192-Y336 HydrophobicContact CD1-CE1 4.28Å; I192-Y336 HydrophobicContact CG1-CD1 4.26Å; I192-Y336 HydrophobicContact CG1-CE1 4.34Å; I192-Y336 HydrophobicContact CG2-CD1 3.78Å; I192-Y336 HydrophobicContact CG2-CE1 4.26Å; I192-Y336 HydrophobicContact CG2-CG 4.49Å; R195-Y336 PolarHBondContact NH2-OH 2.9Å; R195-Y336 VanDerWaalsContact NH2-OH 3.1Å; V328-Y336 HydrophobicContact CB-CD2 4.11Å; V328-Y336 HydrophobicContact CB-CE2 4.34Å; V328-Y336 HydrophobicContact CG1-CD2 4.35Å; E330-Y336 HydrophobicContact CG-CD2 3.86Å; E330-Y336 HydrophobicContact CG-CG 4.14Å; F332-Y336 PolarHBondContact O-N 3.07Å; A333-Y336 PolarHBondContact O-N 3.06Å; Y336-A338 VanDerWaalsContact C-N 3.31Å; Y336-A338 PolarHBondContact O-N 3.18Å; Y336-V339 PolarHBondContact O-N 2.97Å; Y336-V339 VanDerWaalsContact O-N 3.11Å; Y336-E340 HydrophobicContact CD1-CB 4.48Å; Y336-E340 HydrophobicContact CE1-CB 3.92Å; Y336-E340 HydrophobicContact CE1-CG 4.22Å; Y336-E340 WeakPolarHBondContact CE1-OE1 3.29Å; Y336-E340 WeakPolarHBondContact O-CB 3.31Å; Y336-E340 PolarHBondContact O-N 2.99Å; Y336-E340 PolarHBondContact OH-OE1 2.7Å; Y336-T350 HydrophobicContact CE2-CG2 3.8Å; Y336-T350 WeakPolarHBondContact OH-CG2 3.27Å; Y336-N351 VanDerWaalsContact CE2-ND2 3.32Å; Y336-N351 WeakPolarHBondContact CE2-ND2 3.4Å
337A98.7Very high98.4Very high3 Ų326.1 Ų26.13%0.02513%0.129CC..Hα-helixtrans-60.6-38.9-18000000112.5I184 I192 A333 Q335 E340 K341I184-A337 HydrophobicContact CD1-CB 3.79Å; I184-A337 HydrophobicContact CG1-CB 4Å; I184-A337 HydrophobicContact CG2-CB 3.72Å; I192-A337 HydrophobicContact CD1-CB 3.52Å; A333-A337 VanDerWaalsContact O-CB 3.22Å; A333-A337 WeakPolarHBondContact O-CB 3.36Å; A333-A337 PolarHBondContact O-N 3.11Å; Q335-A337 VanDerWaalsContact C-N 3.32Å; Q335-A337 PolarHBondContact O-N 2.91Å; A337-E340 PolarHBondContact O-N 3.03Å; A337-K341 VanDerWaalsContact O-CB 3.31Å; A337-K341 WeakPolarHBondContact O-CB 3.48Å; A337-K341 PolarHBondContact O-N 2.9Å
338A98.7Very high98.3Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-64.7-41.1175.400000111.7L178 Y182 I303 S334 Q335 Y336 E342L178-A338 HydrophobicContact CD1-CB 4.08Å; L178-A338 HydrophobicContact CD2-CB 3.79Å; L178-A338 HydrophobicContact CG-CB 3.67Å; Y182-A338 HydrophobicContact CD1-CB 4.16Å; Y182-A338 HydrophobicContact CD2-CB 3.77Å; Y182-A338 HydrophobicContact CE2-CB 4.27Å; Y182-A338 HydrophobicContact CG-CB 3.71Å; I303-A338 HydrophobicContact CD1-CB 4.21Å; S334-A338 WeakPolarHBondContact O-CB 3.23Å; S334-A338 PolarHBondContact O-N 3.09Å; S334-A338 VanDerWaalsContact O-N 3.07Å; Q335-A338 PolarHBondContact O-N 3.28Å; Y336-A338 VanDerWaalsContact C-N 3.31Å; Y336-A338 PolarHBondContact O-N 3.18Å; A338-E342 WeakPolarHBondContact O-CB 3.32Å; A338-E342 PolarHBondContact O-N 3.03Å
339V98.8Very high98.3Very high0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-67.6-43.2174.71780000111.3G302 I303 P305 A306 V328 Q335 Y336 K341 E342 L343 L345G302-V339 WeakPolarHBondContact O-CG2 3.21Å; I303-V339 HydrophobicContact CD1-CG2 4.37Å; P305-V339 HydrophobicContact CB-CG1 4.05Å; P305-V339 HydrophobicContact CB-CG2 3.95Å; P305-V339 HydrophobicContact CG-CG2 4.15Å; A306-V339 HydrophobicContact CB-CG1 4.48Å; V328-V339 HydrophobicContact CG1-CB 4.46Å; V328-V339 HydrophobicContact CG1-CG1 4.19Å; V328-V339 HydrophobicContact CG2-CG1 4.12Å; Q335-V339 PolarHBondContact O-N 3.08Å; Y336-V339 PolarHBondContact O-N 2.97Å; Y336-V339 VanDerWaalsContact O-N 3.11Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 3.03Å; V339-E342 PolarHBondContact O-N 3.44Å; V339-L343 HydrophobicContact CG1-CD1 4.04Å; V339-L343 WeakPolarHBondContact O-CB 3.49Å; V339-L343 PolarHBondContact O-N 3.25Å; V339-L345 HydrophobicContact CG1-CD1 4.15Å
340E98.5Very high98.3Very high19 Ų1932.5 Ų32.59%0.08917%0.169CC..Hα-helixtrans-56.4-47.5175.4-175.1179.8-103.200110.8K188 R195 Y336 A337 E344 L345K188-E340 IonicContact NZ-OE2 2.96Å; R195-E340 IonicContact CZ-OE1 2.92Å; R195-E340 IonicContact NH1-OE1 2.66Å; R195-E340 PolarHBondContact NH1-OE1 3.01Å; R195-E340 IonicContact NH2-OE1 3.33Å; R195-E340 PolarHBondContact NH2-OE1 2.94Å; Y336-E340 HydrophobicContact CD1-CB 4.48Å; Y336-E340 HydrophobicContact CE1-CB 3.92Å; Y336-E340 HydrophobicContact CE1-CG 4.22Å; Y336-E340 WeakPolarHBondContact CE1-OE1 3.29Å; Y336-E340 WeakPolarHBondContact O-CB 3.31Å; Y336-E340 PolarHBondContact O-N 2.99Å; Y336-E340 PolarHBondContact OH-OE1 2.7Å; A337-E340 PolarHBondContact O-N 3.03Å; E340-E344 VanDerWaalsContact O-CA 3.3Å; E340-E344 WeakPolarHBondContact O-CA 3.27Å; E340-E344 PolarHBondContact O-N 2.82Å; E340-L345 HydrophobicContact CG-CB 4.24Å; E340-L345 PolarHBondContact O-N 3.39Å
341K98.3Very high98.3Very high106 Ų10632.5 Ų32.546%0.46117%0.169SC..Hα-helixtrans-67.7-45.2177.7-176.7171.1175178.70112.6Y182 E183 I184 A337 V339 L343 E344Y182-K341 HydrophobicContact CD1-CD 4.33Å; Y182-K341 PolarHBondContact O-NZ 3.41Å; E183-K341 IonicContact OE2-NZ 3.83Å; I184-K341 HydrophobicContact CD1-CD 4.36Å; A337-K341 VanDerWaalsContact O-CB 3.31Å; A337-K341 WeakPolarHBondContact O-CB 3.48Å; A337-K341 PolarHBondContact O-N 2.9Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 3.03Å; K341-L343 PolarHBondContact O-N 3.29Å; K341-E344 PolarHBondContact O-N 3.42Å
342E98.2Very high98.3Very high60 Ų6033.2 Ų33.228%0.2817%0.173SC..Hα-helixtrans-65.9-36.2-177.1-179.566.8-149.100112.9Y182 I303 A306 R310 A338 V339Y182-E342 HydrophobicContact CE1-CB 3.97Å; Y182-E342 WeakPolarHBondContact CE1-OE2 3.26Å; Y182-E342 VanDerWaalsContact CZ-OE2 3.29Å; Y182-E342 PolarHBondContact OH-OE2 3.47Å; I303-E342 HydrophobicContact CD1-CB 3.86Å; I303-E342 HydrophobicContact CD1-CG 4Å; A306-E342 HydrophobicContact CB-CB 4.2Å; A306-E342 HydrophobicContact CB-CG 3.65Å; R310-E342 IonicContact CZ-OE1 2.73Å; R310-E342 IonicContact NH1-OE1 2.75Å; R310-E342 PolarHBondContact NH1-OE1 3.18Å; R310-E342 PolarHBondContact NH2-O 2.77Å; R310-E342 IonicContact NH2-OE1 3.21Å; R310-E342 PolarHBondContact NH2-OE1 2.83Å; A338-E342 WeakPolarHBondContact O-CB 3.32Å; A338-E342 PolarHBondContact O-N 3.03Å; V339-E342 PolarHBondContact O-N 3.44Å
343L98.4Very high98.3Very high17 Ų1732.5 Ų32.59%0.08917%0.17CC..Hα-helixtrans-97.2-5.2179.9-71.2-176000113.7A306 I309 R310 L320 V339 K341 L345A306-L343 HydrophobicContact CB-CD1 4.33Å; A306-L343 HydrophobicContact CB-CD2 4.04Å; A306-L343 HydrophobicContact CB-CG 3.87Å; I309-L343 HydrophobicContact CB-CD1 3.99Å; I309-L343 HydrophobicContact CD1-CD1 3.67Å; I309-L343 HydrophobicContact CG1-CD1 4.41Å; I309-L343 HydrophobicContact CG2-CD1 3.97Å; R310-L343 HydrophobicContact CG-CD2 3.78Å; L320-L343 HydrophobicContact CD2-CB 4.38Å; L320-L343 WeakPolarHBondContact CD2-O 3.32Å; V339-L343 HydrophobicContact CG1-CD1 4.04Å; V339-L343 WeakPolarHBondContact O-CB 3.49Å; V339-L343 PolarHBondContact O-N 3.25Å; K341-L343 PolarHBondContact O-N 3.29Å; L343-L345 HydrophobicContact CB-CD2 4.11Å; L343-L345 HydrophobicContact CB-CG 3.82Å; L343-L345 HydrophobicContact CD1-CD1 4.35Å; L343-L345 HydrophobicContact CD1-CD2 4.15Å; L343-L345 HydrophobicContact CD1-CG 4.29Å; L343-L345 PolarHBondContact O-N 3.38Å
344E98.2Very high98.3Very high172 Ų17232.6 Ų32.680%0.80417%0.171SC*.THydrogen-bonded Turntrans52.545.4-170.7-58.5175.8-165.800111.5E340 K341 D346E340-E344 VanDerWaalsContact O-CA 3.3Å; E340-E344 WeakPolarHBondContact O-CA 3.27Å; E340-E344 PolarHBondContact O-N 2.82Å; K341-E344 PolarHBondContact O-N 3.42Å; E344-D346 PolarHBondContact O-N 3Å
345L98.3Very high98.3Very high9 Ų932.6 Ų32.65%0.04717%0.171CC..  trans-63.9131.1-177.8-70.8173.8000110.7L320 V326 V328 V339 E340 L343 P347 T350L320-L345 HydrophobicContact CD1-CD2 4.04Å; L320-L345 HydrophobicContact CD2-CD2 4.04Å; V326-L345 HydrophobicContact CB-CD2 4.29Å; V326-L345 HydrophobicContact CG1-CD1 4.48Å; V326-L345 HydrophobicContact CG1-CD2 4.05Å; V326-L345 HydrophobicContact CG2-CD2 4.15Å; V328-L345 HydrophobicContact CG2-CD1 4.01Å; V339-L345 HydrophobicContact CG1-CD1 4.15Å; E340-L345 HydrophobicContact CG-CB 4.24Å; E340-L345 PolarHBondContact O-N 3.39Å; L343-L345 HydrophobicContact CB-CD2 4.11Å; L343-L345 HydrophobicContact CB-CG 3.82Å; L343-L345 HydrophobicContact CD1-CD1 4.35Å; L343-L345 HydrophobicContact CD1-CD2 4.15Å; L343-L345 HydrophobicContact CD1-CG 4.29Å; L343-L345 PolarHBondContact O-N 3.38Å; L345-P347 WeakPolarHBondContact O-CD 3.5Å; L345-T350 HydrophobicContact CD1-CG2 4Å
346D97.9Very high98.3Very high78 Ų7832.5 Ų32.542%0.41717%0.171SC..  trans-69.3116.5170.8-179.5-2.7000109.9E344 A348 K349 T350E344-D346 PolarHBondContact O-N 3Å; D346-A348 PolarHBondContact O-N 2.93Å; D346-A348 VanDerWaalsContact OD1-CB 3.28Å; D346-A348 WeakPolarHBondContact OD1-CB 3.27Å; D346-A348 PolarHBondContact OD1-N 3.45Å; D346-K349 HydrophobicContact CB-CB 4.36Å; D346-K349 HydrophobicContact CB-CG 4.35Å; D346-K349 PolarHBondContact O-N 3.31Å; D346-T350 WeakPolarHBondContact O-CB 3.12Å; D346-T350 PolarHBondContact O-N 3.05Å; D346-T350 PolarHBondContact O-OG1 3.41Å
347P96.1Very high98.3Very high48 Ų4832.5 Ų32.531%0.31217%0.171SC..THydrogen-bonded Turntrans-59.1-27176.7-26.738.2000113.7R199 L345 K349 T350R199-P347 PolarHBondContact NH1-O 3.28Å; R199-P347 PolarHBondContact NH2-O 3.42Å; L345-P347 WeakPolarHBondContact O-CD 3.5Å; P347-K349 PolarHBondContact O-N 3.04Å; P347-T350 PolarHBondContact O-N 3.37Å
348A97.2Very high98.3Very high67 Ų6732.4 Ų32.455%0.55417%0.17SC*.THydrogen-bonded Turntrans-70.4-22.1178.900000112.8D346 V352D346-A348 PolarHBondContact O-N 2.93Å; D346-A348 VanDerWaalsContact OD1-CB 3.28Å; D346-A348 WeakPolarHBondContact OD1-CB 3.27Å; D346-A348 PolarHBondContact OD1-N 3.45Å; A348-V352 WeakPolarHBondContact O-CG1 3.4Å
349K98.2Very high98.3Very high72 Ų7232.4 Ų32.431%0.31317%0.17SC..THydrogen-bonded Turntrans-104.8-12.1177.2-62.6-172.8178.7-168.10113.6I323 D324 I325 V326 D346 P347I323-K349 PolarHBondContact O-NZ 3.42Å; D324-K349 WeakPolarHBondContact O-CB 3.5Å; D324-K349 WeakPolarHBondContact O-CG 3.33Å; I325-K349 WeakPolarHBondContact CA-O 3.44Å; V326-K349 PolarHBondContact N-O 2.99Å; D346-K349 HydrophobicContact CB-CB 4.36Å; D346-K349 HydrophobicContact CB-CG 4.35Å; D346-K349 PolarHBondContact O-N 3.31Å; P347-K349 PolarHBondContact O-N 3.04Å
350T98.7Very high98.3Very high1 Ų132.4 Ų32.41%0.00617%0.17CC..BIsolated β-bridgetrans-106.2130.5-171.8-51.40000112.1R199 V326 Y336 L345 D346 P347 V352R199-T350 PolarHBondContact NH1-O 2.9Å; V326-T350 HydrophobicContact CB-CG2 4.33Å; V326-T350 HydrophobicContact CG1-CG2 4.5Å; V326-T350 CarbonylContact O-C 3.51Å; V326-T350 WeakPolarHBondContact O-CA 3.5Å; Y336-T350 HydrophobicContact CE2-CG2 3.8Å; Y336-T350 WeakPolarHBondContact OH-CG2 3.27Å; L345-T350 HydrophobicContact CD1-CG2 4Å; D346-T350 WeakPolarHBondContact O-CB 3.12Å; D346-T350 PolarHBondContact O-N 3.05Å; D346-T350 PolarHBondContact O-OG1 3.41Å; P347-T350 PolarHBondContact O-N 3.37Å; T350-V352 VanDerWaalsContact C-N 3.29Å; T350-V352 PolarHBondContact O-N 3.4Å
351N98.7Very high98.3Very high2 Ų232 Ų321%0.01117%0.168CC..SBendtrans47.550.9178.8-64.58.1000112.1R199 V326 E327 V328 E330 Y336 N353 G354R199-N351 WeakPolarHBondContact CD-O 3.25Å; R199-N351 PolarHBondContact NH1-O 2.84Å; V326-N351 PolarHBondContact O-N 2.8Å; E327-N351 VanDerWaalsContact CA-OD1 3.25Å; E327-N351 WeakPolarHBondContact CA-OD1 3.36Å; V328-N351 PolarHBondContact N-OD1 2.99Å; V328-N351 PolarHBondContact O-ND2 3.1Å; V328-N351 PolarHBondContact O-OD1 3.39Å; E330-N351 VanDerWaalsContact CD-ND2 3.3Å; E330-N351 WeakPolarHBondContact CG-ND2 3.24Å; E330-N351 PolarHBondContact OE1-ND2 3.45Å; Y336-N351 VanDerWaalsContact CE2-ND2 3.32Å; Y336-N351 WeakPolarHBondContact CE2-ND2 3.4Å; N351-N353 PolarHBondContact O-N 2.97Å; N351-G354 PolarHBondContact O-N 3.14Å; N351-G354 VanDerWaalsContact O-N 3.11Å
352V98.4Very high98.3Very high20 Ų2027 Ų2712%0.12115%0.146CC..THydrogen-bonded Turntrans-66.3-23.1-165.1-62.90000114.1I325 A348 T350 E377I325-V352 HydrophobicContact CG2-CG2 4.39Å; A348-V352 WeakPolarHBondContact O-CG1 3.4Å; T350-V352 VanDerWaalsContact C-N 3.29Å; T350-V352 PolarHBondContact O-N 3.4Å; V352-E377 HydrophobicContact CG2-CG 4.07Å; V352-E377 WeakPolarHBondContact CG2-OE1 3.48Å
353N98.6Very high98.3Very high7 Ų724.4 Ų24.44%0.03713%0.134CC..THydrogen-bonded Turntrans-111.418.5177.7-64.3-46.5000112.7R199 W200 A203 H208 F209 N351 H373 E377R199-N353 CarbonylContact C-O 3.49Å; W200-N353 WeakPolarHBondContact CA-O 3.28Å; W200-N353 PolarHBondContact N-O 3.45Å; A203-N353 HydrophobicContact CB-CB 3.67Å; A203-N353 WeakPolarHBondContact CB-OD1 3.23Å; H208-N353 PolarHBondContact ND1-OD1 2.81Å; F209-N353 HydrophobicContact CE1-CB 4.13Å; F209-N353 HydrophobicContact CZ-CB 3.96Å; N351-N353 PolarHBondContact O-N 2.97Å; N353-H373 PolarHBondContact ND2-CE1 3.34Å; N353-H373 PolarHBondContact ND2-NE2 3.14Å; N353-E377 PolarHBondContact ND2-OE1 3.17Å; N353-E377 VanDerWaalsContact ND2-OE1 3.09Å; N353-E377 PolarHBondContact ND2-OE2 3.32Å; N353-E377 VanDerWaalsContact ND2-OE2 3.11Å
354G98.4Very high98.3Very high1 Ų123.6 Ų23.61%0.0113%0.13CC..  trans87153.7-173.500000111.8S196 N351 I359S196-G354 WeakPolarHBondContact O-CA 3.38Å; N351-G354 PolarHBondContact O-N 3.14Å; N351-G354 VanDerWaalsContact O-N 3.11Å; G354-I359 WeakPolarHBondContact O-CD1 3.43Å
355G98.4Very high98.3Very high1 Ų115.4 Ų15.41%0.019%0.092CC..  trans-114.6-158.8179.600000112.5S196 E330 I357 A358 I359S196-G355 PolarHBondContact OG-N 3.5Å; E330-G355 VanDerWaalsContact CD-CA 3.45Å; E330-G355 VanDerWaalsContact OE2-CA 3.25Å; E330-G355 WeakPolarHBondContact OE2-CA 3.27Å; E330-G355 PolarHBondContact OE2-N 2.74Å; G355-I357 PolarHBondContact O-N 2.87Å; G355-A358 PolarHBondContact O-N 2.82Å; G355-I359 PolarHBondContact O-N 3.03Å
356A98.7Very high98.3Very high0 Ų015 Ų150%09%0.089CC..Hα-helixtrans-66.5-17.3-172.200000114.7S260 N329 E330 A358 G360 H361S260-A356 WeakPolarHBondContact CB-O 3.39Å; N329-A356 WeakPolarHBondContact OD1-CB 3.11Å; E330-A356 HydrophobicContact CB-CB 4.34Å; A356-A358 VanDerWaalsContact C-N 3.26Å; A356-A358 PolarHBondContact O-N 2.89Å; A356-G360 WeakPolarHBondContact CB-O 3.32Å; A356-G360 CarbonylContact O-C 3.49Å; A356-G360 VanDerWaalsContact O-CA 3.22Å; A356-G360 WeakPolarHBondContact O-CA 3.21Å; A356-G360 PolarHBondContact O-N 3.04Å; A356-H361 HydrophobicContact CB-CB 4.12Å
357I98.8Very high98.4Very high0 Ų011.2 Ų11.20%07%0.069CC..Hα-helixtrans-64.6-34.4170.6-67.1164000111.1I192 A193 Q197 E330 A333 G355I192-I357 HydrophobicContact CG2-CD1 4.18Å; A193-I357 HydrophobicContact CB-CG2 3.96Å; Q197-I357 PolarHBondContact NE2-O 3.08Å; E330-I357 HydrophobicContact CB-CD1 3.88Å; E330-I357 HydrophobicContact CB-CG1 3.79Å; E330-I357 PolarHBondContact OE2-N 2.96Å; A333-I357 HydrophobicContact CB-CD1 3.78Å; G355-I357 PolarHBondContact O-N 2.87Å
358A98.7Very high98.5Very high0 Ų09 Ų90%06%0.055CC..Hα-helixtrans-90.6-54.7175.200000111.8Q197 W200 H232 P233 G355 A356Q197-A358 HydrophobicContact CG-CB 4.4Å; W200-A358 HydrophobicContact CB-CB 3.75Å; W200-A358 HydrophobicContact CG-CB 4.28Å; H232-A358 CarbonylContact C-O 3.47Å; H232-A358 PolarHBondContact CD2-O 3.31Å; P233-A358 WeakPolarHBondContact CA-O 3.42Å; P233-A358 WeakPolarHBondContact CD-O 3.29Å; P233-A358 WeakPolarHBondContact CG-O 3.32Å; P233-A358 VanDerWaalsContact N-O 3.15Å; G355-A358 PolarHBondContact O-N 2.82Å; A356-A358 VanDerWaalsContact C-N 3.26Å; A356-A358 PolarHBondContact O-N 2.89Å
359I98.5Very high98.5Very high1 Ų15.9 Ų5.91%0.0053%0.029CC..Hα-helixtrans-75.1-35.9-170-63.7168000111.9F27 W200 F209 G354 G355F27-I359 WeakPolarHBondContact CB-O 3.46Å; F27-I359 HydrophobicContact CD2-CG2 3.73Å; F27-I359 HydrophobicContact CE2-CG2 4.24Å; F27-I359 HydrophobicContact CG-CG2 4.37Å; W200-I359 VanDerWaalsContact CD1-CG1 3.48Å; W200-I359 HydrophobicContact CG-CG1 4.38Å; F209-I359 HydrophobicContact CZ-CD1 4.46Å; G354-I359 WeakPolarHBondContact O-CD1 3.43Å; G355-I359 PolarHBondContact O-N 3.03Å
360G98.4Very high98.6Very high0 Ų02.4 Ų2.40%01%0.014CC..  trans110.5165.5-17400000114.6N263 A356N263-G360 VanDerWaalsContact CG-CA 3.42Å; N263-G360 WeakPolarHBondContact OD1-CA 3.41Å; A356-G360 WeakPolarHBondContact CB-O 3.32Å; A356-G360 CarbonylContact O-C 3.49Å; A356-G360 VanDerWaalsContact O-CA 3.22Å; A356-G360 WeakPolarHBondContact O-CA 3.21Å; A356-G360 PolarHBondContact O-N 3.04Å
361H98.6Very high98.6Very high10 Ų102.4 Ų2.45%0.0461%0.014CC..  trans-131.763.9-173.8-170.331.7000114.2C102 S260 N263 N329 A356 L363 S366C102-H361 PolarHBondContact SG-NE2 3.36Å; C102-H361 VanDerWaalsContact SG-NE2 3.37Å; S260-H361 WeakPolarHBondContact OG-CB 3.34Å; N263-H361 PolarHBondContact OD1-N 3Å; N329-H361 PolarHBondContact ND2-CE1 2.8Å; N329-H361 PolarHBondContact ND2-ND1 3.45Å; N329-H361 PolarHBondContact ND2-NE2 3.45Å; A356-H361 HydrophobicContact CB-CB 4.12Å; H361-L363 PolarHBondContact O-N 3.34Å; H361-L363 VanDerWaalsContact O-N 3.11Å; H361-S366 PolarHBondContact CE1-OG 2.98Å; H361-S366 PolarHBondContact ND1-OG 3.39Å
362P98.6Very high98.6Very high0 Ų02.3 Ų2.30%01%0.013CC..  trans-62.6113.3164.725.5-29.1000108.9F27 E130 N263 G364 A365 S366F27-P362 HydrophobicContact CD1-CG 4.08Å; F27-P362 HydrophobicContact CD2-CG 3.59Å; F27-P362 HydrophobicContact CE1-CG 3.74Å; F27-P362 HydrophobicContact CE2-CG 3.23Å; F27-P362 HydrophobicContact CG-CG 4Å; F27-P362 HydrophobicContact CZ-CG 3.27Å; E130-P362 HydrophobicContact CB-CB 3.63Å; N263-P362 HydrophobicContact CB-CG 4.5Å; P362-G364 PolarHBondContact O-N 3.36Å; P362-A365 HydrophobicContact CB-CB 4.05Å; P362-A365 HydrophobicContact CG-CB 3.94Å; P362-A365 PolarHBondContact O-N 3.11Å; P362-A365 VanDerWaalsContact O-N 3.12Å; P362-S366 PolarHBondContact O-N 3.44Å; P362-S366 PolarHBondContact O-OG 3.28Å
363L98.5Very high98.6Very high6 Ų61.5 Ų1.53%0.0311%0.008CC..THydrogen-bonded Turntrans-55-56.2-163.4-55.9-178.9000112.5A69 M132 T161 L162 H361 A365A69-L363 HydrophobicContact CB-CB 3.82Å; A69-L363 HydrophobicContact CB-CD1 4.08Å; M132-L363 HydrophobicContact CE-CD1 4.14Å; M132-L363 HydrophobicContact CE-CD2 4.28Å; M132-L363 HydrophobicContact CE-CG 3.92Å; M132-L363 HydrophobicContact SD-CG 4.11Å; T161-L363 HydrophobicContact CG2-CD1 3.87Å; L162-L363 HydrophobicContact CD2-CD1 4.06Å; L162-L363 HydrophobicContact CD2-CD2 4.25Å; H361-L363 PolarHBondContact O-N 3.34Å; H361-L363 VanDerWaalsContact O-N 3.11Å; L363-A365 VanDerWaalsContact C-N 3.32Å; L363-A365 PolarHBondContact O-N 2.99Å
364G98.2Very high98.6Very high0 Ų01.2 Ų1.20%01%0.006CC..THydrogen-bonded Turntrans-63.1-34.2179.200000114.1G105 G128 E130 P362G105-G364 VanDerWaalsContact CA-O 3.23Å; G105-G364 WeakPolarHBondContact CA-O 3.33Å; G105-G364 PolarHBondContact N-O 2.8Å; G128-G364 WeakPolarHBondContact CA-O 3.35Å; E130-G364 PolarHBondContact OE2-N 2.88Å; P362-G364 PolarHBondContact O-N 3.36Å
365A98.7Very high98.6Very high0 Ų01.1 Ų1.10%01%0.006CC..THydrogen-bonded Turntrans-88.2-19-173.200000114.7F27 G128 G265 P362 L363 G367 G368 R369F27-A365 HydrophobicContact CZ-CB 4.33Å; G128-A365 WeakPolarHBondContact O-CB 3.45Å; G265-A365 WeakPolarHBondContact O-CB 3.45Å; P362-A365 HydrophobicContact CB-CB 4.05Å; P362-A365 HydrophobicContact CG-CB 3.94Å; P362-A365 PolarHBondContact O-N 3.11Å; P362-A365 VanDerWaalsContact O-N 3.12Å; L363-A365 VanDerWaalsContact C-N 3.32Å; L363-A365 PolarHBondContact O-N 2.99Å; A365-G367 VanDerWaalsContact C-N 3.31Å; A365-G367 PolarHBondContact O-N 3.33Å; A365-G368 PolarHBondContact O-N 3.2Å; A365-G368 VanDerWaalsContact O-N 3.11Å; A365-R369 WeakPolarHBondContact O-CB 3.4Å; A365-R369 PolarHBondContact O-N 2.94Å
366S98.7Very high98.6Very high0 Ų02.1 Ų2.10%01%0.01CC..Hα-helixtrans-58.6-41.5-171.8-68.40000113H361 P362 R369 I370H361-S366 PolarHBondContact CE1-OG 2.98Å; H361-S366 PolarHBondContact ND1-OG 3.39Å; P362-S366 PolarHBondContact O-N 3.44Å; P362-S366 PolarHBondContact O-OG 3.28Å; S366-R369 PolarHBondContact O-N 3.04Å; S366-I370 WeakPolarHBondContact O-CG1 3.19Å; S366-I370 PolarHBondContact O-N 2.82Å
367G98.7Very high98.6Very high0 Ų02.3 Ų2.30%01%0.011CC..Hα-helixtrans-62.7-47.8175.100000112.9A365 R369 I370 I371A365-G367 VanDerWaalsContact C-N 3.31Å; A365-G367 PolarHBondContact O-N 3.33Å; G367-R369 PolarHBondContact O-N 2.97Å; G367-I370 PolarHBondContact O-N 2.96Å; G367-I371 WeakPolarHBondContact O-CG1 3.46Å; G367-I371 PolarHBondContact O-N 2.84Å
368G98.5Very high98.6Very high1 Ų12.4 Ų2.41%0.011%0.011CC..Hα-helixtrans-60-36.3176.500000112.4A365 I371 A372A365-G368 PolarHBondContact O-N 3.2Å; A365-G368 VanDerWaalsContact O-N 3.11Å; G368-I371 PolarHBondContact O-N 2.93Å; G368-A372 WeakPolarHBondContact O-CB 3.44Å; G368-A372 PolarHBondContact O-N 3.05Å
369R98.7Very high98.5Very high1 Ų18 Ų80%0.0044%0.036CC..Hα-helixtrans-70.9-39.3178-173.2-86.1-40.6131.8-2.2113R24 F27 A267 E327 A365 S366 G367 I371 H373R24-R369 VanDerWaalsContact CD-CG 3.42Å; F27-R369 HydrophobicContact CE1-CB 4.32Å; F27-R369 HydrophobicContact CE1-CG 4.08Å; F27-R369 HydrophobicContact CE2-CB 4.18Å; F27-R369 HydrophobicContact CE2-CG 3.82Å; F27-R369 HydrophobicContact CZ-CB 3.53Å; F27-R369 HydrophobicContact CZ-CG 3.44Å; F27-R369 VanDerWaalsContact CZ-CG 3.44Å; A267-R369 HydrophobicContact CB-CB 4.09Å; A267-R369 VanDerWaalsContact CB-N 3.34Å; E327-R369 IonicContact OE1-CZ 3.25Å; E327-R369 IonicContact OE1-NH1 2.84Å; E327-R369 PolarHBondContact OE1-NH1 3.24Å; E327-R369 IonicContact OE1-NH2 3.68Å; A365-R369 WeakPolarHBondContact O-CB 3.4Å; A365-R369 PolarHBondContact O-N 2.94Å; S366-R369 PolarHBondContact O-N 3.04Å; G367-R369 PolarHBondContact O-N 2.97Å; R369-I371 VanDerWaalsContact C-N 3.34Å; R369-H373 VanDerWaalsContact O-CB 3.32Å; R369-H373 WeakPolarHBondContact O-CB 3.35Å; R369-H373 PolarHBondContact O-N 3.08Å
370I98.9Very high98.5Very high0 Ų013.2 Ų13.20%06%0.055CC..Hα-helixtrans-60.6-47172-69.6171.6000109.9F106 E327 N329 S366 G367 H373 L374F106-I370 HydrophobicContact CE1-CB 4.21Å; F106-I370 HydrophobicContact CE1-CG2 4.07Å; F106-I370 HydrophobicContact CE2-CD1 3.88Å; F106-I370 HydrophobicContact CZ-CB 3.75Å; F106-I370 HydrophobicContact CZ-CD1 3.54Å; F106-I370 HydrophobicContact CZ-CG1 4.14Å; F106-I370 HydrophobicContact CZ-CG2 3.82Å; E327-I370 HydrophobicContact CB-CG2 3.94Å; E327-I370 HydrophobicContact CG-CG1 4.34Å; E327-I370 HydrophobicContact CG-CG2 4.13Å; N329-I370 HydrophobicContact CB-CD1 3.87Å; S366-I370 WeakPolarHBondContact O-CG1 3.19Å; S366-I370 PolarHBondContact O-N 2.82Å; G367-I370 PolarHBondContact O-N 2.96Å; I370-H373 PolarHBondContact O-N 3.01Å; I370-L374 HydrophobicContact CG2-CD1 3.72Å; I370-L374 HydrophobicContact CG2-CG 4.23Å; I370-L374 WeakPolarHBondContact O-CB 3.32Å; I370-L374 WeakPolarHBondContact O-CG 3.41Å; I370-L374 PolarHBondContact O-N 2.65Å
371I98.9Very high98.4Very high0 Ų018.1 Ų18.10%07%0.074CC..Hα-helixtrans-62.7-48.9-179.3-63176.1000110.4I19 F106 V109 V269 G367 G368 R369 H373 L374 V375 I400 L402I19-I371 HydrophobicContact CD1-CG2 3.44Å; I19-I371 VanDerWaalsContact CD1-CG2 3.44Å; F106-I371 HydrophobicContact CD1-CD1 3.81Å; F106-I371 HydrophobicContact CD1-CG1 4Å; F106-I371 HydrophobicContact CE1-CD1 4.3Å; F106-I371 HydrophobicContact CE1-CG1 3.97Å; V109-I371 HydrophobicContact CB-CD1 4.03Å; V109-I371 HydrophobicContact CG1-CD1 4.3Å; V109-I371 HydrophobicContact CG2-CD1 3.57Å; V269-I371 HydrophobicContact CG1-CG2 3.98Å; G367-I371 WeakPolarHBondContact O-CG1 3.46Å; G367-I371 PolarHBondContact O-N 2.84Å; G368-I371 PolarHBondContact O-N 2.93Å; R369-I371 VanDerWaalsContact C-N 3.34Å; I371-H373 VanDerWaalsContact C-N 3.29Å; I371-H373 PolarHBondContact O-N 3.21Å; I371-L374 PolarHBondContact O-N 3.12Å; I371-V375 WeakPolarHBondContact O-CG1 3.44Å; I371-V375 PolarHBondContact O-N 2.91Å; I371-V375 VanDerWaalsContact O-N 3.1Å; I371-I400 HydrophobicContact CD1-CD1 3.63Å; I371-I400 HydrophobicContact CG1-CD1 3.48Å; I371-I400 VanDerWaalsContact CG1-CD1 3.48Å; I371-I400 HydrophobicContact CG1-CG1 4.48Å; I371-I400 HydrophobicContact CG2-CD1 4.47Å; I371-L402 HydrophobicContact CG2-CD1 4.34Å
372A98.6Very high98.3Very high0 Ų025.3 Ų25.30%011%0.107CC..Hα-helixtrans-56.9-46.9177.300000111.1A22 G368 V375 H376A22-A372 HydrophobicContact CB-CB 3.83Å; G368-A372 WeakPolarHBondContact O-CB 3.44Å; G368-A372 PolarHBondContact O-N 3.05Å; A372-V375 WeakPolarHBondContact O-CG2 3.14Å; A372-V375 PolarHBondContact O-N 3.42Å; A372-H376 PolarHBondContact O-CD2 2.82Å; A372-H376 PolarHBondContact O-N 3.39Å
373H98.8Very high98.3Very high4 Ų427 Ų272%0.01912%0.118CC..Hα-helixtrans-62.7-47.4179.5-17056.9000113.3F209 E212 E327 N353 R369 I370 I371 V375 H376 E377F209-H373 AromaticContact CD1-CE1 3.97Å; F209-H373 AromaticContact CD1-ND1 3.95Å; F209-H373 AromaticContact CE1-CE1 3.54Å; F209-H373 AromaticContact CE1-ND1 3.8Å; E212-H373 IonicContact OE1-ND1 3.31Å; E212-H373 PolarHBondContact OE1-ND1 3.29Å; E212-H373 VanDerWaalsContact OE2-CA 3.32Å; E212-H373 WeakPolarHBondContact OE2-CA 3.23Å; E212-H373 IonicContact OE2-CE1 3.46Å; E212-H373 IonicContact OE2-CG 3.36Å; E212-H373 IonicContact OE2-ND1 3.62Å; E212-H373 PolarHBondContact OE2-ND1 3.1Å; E327-H373 IonicContact OE2-CD2 2.71Å; E327-H373 PolarHBondContact OE2-CD2 2.97Å; N353-H373 PolarHBondContact ND2-CE1 3.34Å; N353-H373 PolarHBondContact ND2-NE2 3.14Å; R369-H373 VanDerWaalsContact O-CB 3.32Å; R369-H373 WeakPolarHBondContact O-CB 3.35Å; R369-H373 PolarHBondContact O-N 3.08Å; I370-H373 PolarHBondContact O-N 3.01Å; I371-H373 VanDerWaalsContact C-N 3.29Å; I371-H373 PolarHBondContact O-N 3.21Å; H373-V375 PolarHBondContact O-N 3.23Å; H373-H376 PolarHBondContact O-N 2.86Å; H373-E377 WeakPolarHBondContact O-CB 3.5Å; H373-E377 PolarHBondContact O-N 3.49Å
374L98.7Very high98.3Very high0 Ų030.9 Ų30.90%014%0.135CC..Hα-helixtrans-60.3-41.9-179.3-76.8174.1000112.4I325 E327 I370 I371 H376 E377 L378 L402I325-L374 HydrophobicContact CB-CD2 4.27Å; I325-L374 HydrophobicContact CG2-CD2 3.71Å; E327-L374 HydrophobicContact CB-CD1 4.27Å; E327-L374 HydrophobicContact CB-CD2 4.05Å; E327-L374 HydrophobicContact CB-CG 4.26Å; I370-L374 HydrophobicContact CG2-CD1 3.72Å; I370-L374 HydrophobicContact CG2-CG 4.23Å; I370-L374 WeakPolarHBondContact O-CB 3.32Å; I370-L374 WeakPolarHBondContact O-CG 3.41Å; I370-L374 PolarHBondContact O-N 2.65Å; I371-L374 PolarHBondContact O-N 3.12Å; L374-H376 VanDerWaalsContact C-N 3.31Å; L374-H376 PolarHBondContact O-N 2.96Å; L374-E377 PolarHBondContact O-N 2.85Å; L374-L378 VanDerWaalsContact O-CB 3.29Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 WeakPolarHBondContact O-CG 3.22Å; L374-L378 PolarHBondContact O-N 3.48Å; L374-L402 HydrophobicContact CB-CD1 3.85Å; L374-L402 HydrophobicContact CD1-CD1 4.29Å
375V98.5Very high98.3Very high0 Ų032.9 Ų32.90%014%0.143CC..Hα-helixtrans-65.2-35.7179.8-60.30000112.5I19 A22 M285 A286 I371 A372 H373 L402I19-V375 HydrophobicContact CB-CG1 4.41Å; I19-V375 HydrophobicContact CD1-CG1 3.85Å; I19-V375 HydrophobicContact CG2-CG1 4.26Å; A22-V375 HydrophobicContact CB-CG2 3.51Å; M285-V375 HydrophobicContact CB-CB 4.27Å; M285-V375 HydrophobicContact CE-CB 4.09Å; M285-V375 HydrophobicContact CE-CG2 3.55Å; M285-V375 HydrophobicContact SD-CG2 4.15Å; A286-V375 HydrophobicContact CB-CB 4.21Å; A286-V375 HydrophobicContact CB-CG1 3.59Å; I371-V375 WeakPolarHBondContact O-CG1 3.44Å; I371-V375 PolarHBondContact O-N 2.91Å; I371-V375 VanDerWaalsContact O-N 3.1Å; A372-V375 WeakPolarHBondContact O-CG2 3.14Å; A372-V375 PolarHBondContact O-N 3.42Å; H373-V375 PolarHBondContact O-N 3.23Å; V375-L402 HydrophobicContact CG1-CD1 3.91Å
376H98.4Very high98.3Very high22 Ų2232.9 Ų32.910%0.10214%0.143CC..Hα-helixtrans-72.6-41.3175.2-73.8-73.2000111.5A22 N211 M285 A372 H373 L374 K379 R380A22-H376 PolarHBondContact O-NE2 3.47Å; N211-H376 PolarHBondContact O-CE1 2.68Å; M285-H376 WeakPolarHBondContact CE-CE1 3.34Å; M285-H376 WeakPolarHBondContact CE-ND1 3.41Å; A372-H376 PolarHBondContact O-CD2 2.82Å; A372-H376 PolarHBondContact O-N 3.39Å; H373-H376 PolarHBondContact O-N 2.86Å; L374-H376 VanDerWaalsContact C-N 3.31Å; L374-H376 PolarHBondContact O-N 2.96Å; H376-K379 PolarHBondContact O-N 3.13Å; H376-R380 WeakPolarHBondContact O-CB 3.44Å; H376-R380 PolarHBondContact O-N 3.47Å
377E98.2Very high98.3Very high4 Ų432.9 Ų32.92%0.01914%0.143CC..Hα-helixtrans-72.4-39.7-176.9-172.369.9172.200112.8I325 V352 N353 H373 L374 K379 R380 R381I325-E377 HydrophobicContact CD1-CB 4.22Å; I325-E377 HydrophobicContact CD1-CG 3.59Å; V352-E377 HydrophobicContact CG2-CG 4.07Å; V352-E377 WeakPolarHBondContact CG2-OE1 3.48Å; N353-E377 PolarHBondContact ND2-OE1 3.17Å; N353-E377 VanDerWaalsContact ND2-OE1 3.09Å; N353-E377 PolarHBondContact ND2-OE2 3.32Å; N353-E377 VanDerWaalsContact ND2-OE2 3.11Å; H373-E377 WeakPolarHBondContact O-CB 3.5Å; H373-E377 PolarHBondContact O-N 3.49Å; L374-E377 PolarHBondContact O-N 2.85Å; E377-K379 VanDerWaalsContact C-N 3.3Å; E377-K379 PolarHBondContact O-N 3.44Å; E377-R380 PolarHBondContact O-N 2.89Å; E377-R380 IonicContact OE1-CZ 3.44Å; E377-R380 IonicContact OE1-NE 3.66Å; E377-R380 IonicContact OE1-NH2 3.31Å; E377-R380 PolarHBondContact OE1-NH2 3.18Å; E377-R380 IonicContact OE2-CZ 3.64Å; E377-R380 IonicContact OE2-NE 2.73Å; E377-R380 PolarHBondContact OE2-NE 2.99Å; E377-R380 IonicContact OE2-NH2 3.67Å; E377-R380 PolarHBondContact OE2-NH2 3.45Å; E377-R381 HydrophobicContact CG-CG 4.38Å; E377-R381 WeakPolarHBondContact O-CB 3.28Å; E377-R381 WeakPolarHBondContact O-CG 3.37Å; E377-R381 PolarHBondContact O-N 3.07Å; E377-R381 IonicContact OE1-CZ 2.63Å; E377-R381 IonicContact OE1-NE 3.69Å; E377-R381 PolarHBondContact OE1-NE 3.44Å; E377-R381 IonicContact OE1-NH2 2.72Å; E377-R381 PolarHBondContact OE1-NH2 3.31Å
378L98.5Very high98.3Very high1 Ų132.9 Ų32.91%0.00514%0.143CC..Hα-helixtrans-55.5-47.8173.2-76.4174.4000110.8I325 L374 Q382 V383 L402 N404I325-L378 HydrophobicContact CD1-CD2 4.02Å; I325-L378 HydrophobicContact CG1-CD2 4.3Å; L374-L378 VanDerWaalsContact O-CB 3.29Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 WeakPolarHBondContact O-CG 3.22Å; L374-L378 PolarHBondContact O-N 3.48Å; L378-Q382 PolarHBondContact O-N 2.59Å; L378-V383 HydrophobicContact CD2-CG2 3.76Å; L378-V383 PolarHBondContact O-N 2.73Å; L378-V383 VanDerWaalsContact O-N 3.16Å; L378-L402 HydrophobicContact CD1-CB 4.01Å; L378-N404 HydrophobicContact CB-CB 4.17Å; L378-N404 PolarHBondContact O-ND2 3.28Å
379K97.6Very high98.4Very high117 Ų11732.9 Ų32.951%0.50914%0.142SC..Hα-helixtrans-63.7-47.9176.5-177.2176.1-178.7174.40112H376 E377 R381 Q382H376-K379 PolarHBondContact O-N 3.13Å; E377-K379 VanDerWaalsContact C-N 3.3Å; E377-K379 PolarHBondContact O-N 3.44Å; K379-R381 VanDerWaalsContact C-N 3.32Å; K379-R381 PolarHBondContact O-N 3.47Å; K379-Q382 PolarHBondContact O-N 2.76Å; K379-Q382 VanDerWaalsContact O-N 3.17Å
380R97.3Very high98.4Very high111 Ų11132.8 Ų32.842%0.41914%0.142SC..Hα-helixtrans-60.7-40.5-178.5-170.4-170.471.280.42.5112.1H208 H376 E377H208-R380 PolarHBondContact CE1-NH1 3.01Å; H208-R380 VanDerWaalsContact CE1-NH1 3.32Å; H208-R380 PolarHBondContact CE1-NH2 3.22Å; H208-R380 PolarHBondContact NE2-NH1 3.42Å; H376-R380 WeakPolarHBondContact O-CB 3.44Å; H376-R380 PolarHBondContact O-N 3.47Å; E377-R380 PolarHBondContact O-N 2.89Å; E377-R380 IonicContact OE1-CZ 3.44Å; E377-R380 IonicContact OE1-NE 3.66Å; E377-R380 IonicContact OE1-NH2 3.31Å; E377-R380 PolarHBondContact OE1-NH2 3.18Å; E377-R380 IonicContact OE2-CZ 3.64Å; E377-R380 IonicContact OE2-NE 2.73Å; E377-R380 PolarHBondContact OE2-NE 2.99Å; E377-R380 IonicContact OE2-NH2 3.67Å; E377-R380 PolarHBondContact OE2-NH2 3.45Å
381R96.5Very high98.3Very high104 Ų10432.9 Ų32.939%0.39214%0.143SC..Hα-helixtrans-83.3-11.4178.9-68.7-171.7-178.4-97.6-8.2113.9E377 K379 V383E377-R381 HydrophobicContact CG-CG 4.38Å; E377-R381 WeakPolarHBondContact O-CB 3.28Å; E377-R381 WeakPolarHBondContact O-CG 3.37Å; E377-R381 PolarHBondContact O-N 3.07Å; E377-R381 IonicContact OE1-CZ 2.63Å; E377-R381 IonicContact OE1-NE 3.69Å; E377-R381 PolarHBondContact OE1-NE 3.44Å; E377-R381 IonicContact OE1-NH2 2.72Å; E377-R381 PolarHBondContact OE1-NH2 3.31Å; K379-R381 VanDerWaalsContact C-N 3.32Å; K379-R381 PolarHBondContact O-N 3.47Å; R381-V383 VanDerWaalsContact C-N 3.26Å; R381-V383 HydrophobicContact CB-CG1 4.02Å; R381-V383 HydrophobicContact CB-CG2 3.94Å; R381-V383 PolarHBondContact O-N 2.9Å
382Q97.6Very high98.3Very high160 Ų16032.9 Ų32.975%0.74814%0.143SC*.THydrogen-bonded Turntrans54.844-173.9-57.2-179.8-15.300112L378 K379 T407L378-Q382 PolarHBondContact O-N 2.59Å; K379-Q382 PolarHBondContact O-N 2.76Å; K379-Q382 VanDerWaalsContact O-N 3.17Å; Q382-T407 HydrophobicContact CB-CG2 4.48Å
383V98.2Very high98.2Very high37 Ų3733.1 Ų33.122%0.22415%0.145CC..  trans-113.9166.4176.2-60.70000110.3D324 I325 L378 R381 N404D324-V383 HydrophobicContact CB-CB 3.57Å; D324-V383 HydrophobicContact CB-CG1 4.24Å; D324-V383 HydrophobicContact CB-CG2 3.59Å; I325-V383 HydrophobicContact CD1-CG2 3.87Å; I325-V383 HydrophobicContact CG1-CG2 3.99Å; L378-V383 HydrophobicContact CD2-CG2 3.76Å; L378-V383 PolarHBondContact O-N 2.73Å; L378-V383 VanDerWaalsContact O-N 3.16Å; R381-V383 VanDerWaalsContact C-N 3.26Å; R381-V383 HydrophobicContact CB-CG1 4.02Å; R381-V383 HydrophobicContact CB-CG2 3.94Å; R381-V383 PolarHBondContact O-N 2.9Å; V383-N404 WeakPolarHBondContact O-CB 3.47Å; V383-N404 PolarHBondContact O-ND2 3Å
384K98.3Very high98.1Very high87 Ų8734.6 Ų34.638%0.37816%0.161SC..SBendtrans-97.4-53.9-161.7-166.4171.3-173.5-166.40113.5D324 E403 N404D324-K384 WeakPolarHBondContact OD2-CA 3.41Å; D324-K384 PolarHBondContact OD2-N 2.74Å; K384-E403 WeakPolarHBondContact CE-OE1 3.33Å; K384-E403 HydrophobicContact CG-CG 4.34Å; K384-E403 IonicContact NZ-OE1 2.69Å; K384-E403 CarbonylContact O-C 3.58Å; K384-E403 WeakPolarHBondContact O-CA 3.49Å; K384-N404 PolarHBondContact O-N 3.35Å
385Y98.6Very high98.1Very high42 Ų4234.7 Ų34.717%0.16516%0.162CC..EExtended strand (participates in β ladder)trans-116.1132.1-169.2-65.8-65.1000113.1M318 D322 D324 I325 L401 L402 E403M318-Y385 HydrophobicContact CE-CD1 4.21Å; M318-Y385 HydrophobicContact CE-CD2 3.61Å; M318-Y385 HydrophobicContact CE-CE1 4.35Å; M318-Y385 HydrophobicContact CE-CE2 3.74Å; M318-Y385 HydrophobicContact CE-CG 3.86Å; D322-Y385 WeakPolarHBondContact O-CD2 3.45Å; D324-Y385 WeakPolarHBondContact CB-O 3.45Å; D324-Y385 PolarHBondContact N-O 2.84Å; D324-Y385 PolarHBondContact OD2-N 3.08Å; I325-Y385 PolarHBondContact N-O 3.16Å; Y385-L401 HydrophobicContact CD1-CD1 4.3Å; Y385-L402 WeakPolarHBondContact CA-O 3.48Å; Y385-E403 HydrophobicContact CD1-CB 3.91Å; Y385-E403 HydrophobicContact CD1-CG 4.14Å; Y385-E403 HydrophobicContact CE1-CB 3.71Å; Y385-E403 HydrophobicContact CE1-CG 3.6Å; Y385-E403 WeakPolarHBondContact CE1-OE1 3.36Å; Y385-E403 PolarHBondContact OH-OE1 3.35Å
386G98.7Very high98.1Very high0 Ų037.3 Ų37.30%017%0.174CC..EExtended strand (participates in β ladder)trans-129137.3178.200000112.2I325 L402I325-G386 CarbonylContact O-C 3.49Å; I325-G386 VanDerWaalsContact O-CA 3.24Å; I325-G386 WeakPolarHBondContact O-CA 3.28Å; G386-L402 PolarHBondContact N-O 2.73Å; G386-L402 PolarHBondContact O-N 2.93Å
387I98.9Very high98.1Very high0 Ų036.2 Ų36.20%017%0.169CC..EExtended strand (participates in β ladder)trans-115129.3173.9-70.4-179000110.3I309 L312 L313 I323 I325 V326 E327 I400 L401I309-I387 HydrophobicContact CD1-CG2 4.16Å; I309-I387 HydrophobicContact CG1-CG2 3.9Å; I309-I387 HydrophobicContact CG2-CD1 4.23Å; L312-I387 HydrophobicContact CD2-CD1 4.35Å; L312-I387 HydrophobicContact CD2-CG1 4.46Å; L312-I387 HydrophobicContact CD2-CG2 4.48Å; L313-I387 HydrophobicContact CD2-CD1 3.95Å; L313-I387 HydrophobicContact CG-CD1 4.24Å; I323-I387 HydrophobicContact CD1-CD1 3.8Å; I323-I387 HydrophobicContact CD1-CG1 4.11Å; I323-I387 HydrophobicContact CG1-CD1 3.73Å; I323-I387 HydrophobicContact CG1-CG1 4.3Å; I323-I387 HydrophobicContact CG2-CB 4.3Å; I323-I387 HydrophobicContact CG2-CD1 4.19Å; I323-I387 HydrophobicContact CG2-CG1 3.95Å; I325-I387 PolarHBondContact O-N 3.1Å; V326-I387 CarbonylContact C-O 3.58Å; V326-I387 WeakPolarHBondContact CA-O 3.47Å; V326-I387 HydrophobicContact CG1-CG2 4.5Å; E327-I387 PolarHBondContact N-O 2.65Å; I387-I400 VanDerWaalsContact CA-O 3.3Å; I387-I400 WeakPolarHBondContact CA-O 3.35Å; I387-L401 HydrophobicContact CD1-CD1 4.36Å; I387-L401 HydrophobicContact CG1-CD1 3.74Å
388G98.9Very high98.1Very high0 Ų036 Ų360%017%0.168CC..EExtended strand (participates in β ladder)trans-109.7135.4169.200000110.8E327 A399 I400E327-G388 CarbonylContact O-C 3.53Å; E327-G388 WeakPolarHBondContact O-CA 3.37Å; G388-A399 CarbonylContact O-C 3.46Å; G388-A399 VanDerWaalsContact O-CA 3.26Å; G388-A399 WeakPolarHBondContact O-CA 3.39Å; G388-I400 PolarHBondContact N-O 3.31Å; G388-I400 VanDerWaalsContact N-O 3.11Å; G388-I400 PolarHBondContact O-N 2.9Å
389S98.9Very high98.2Very high0 Ų036 Ų360%017%0.168CC..EExtended strand (participates in β ladder)trans-149152.6-177.9-170.20000113.8P305 E327 V328 N329 I398P305-S389 WeakPolarHBondContact CA-OG 3.44Å; P305-S389 WeakPolarHBondContact CB-OG 3.39Å; E327-S389 PolarHBondContact O-N 3.45Å; V328-S389 WeakPolarHBondContact CA-O 3.47Å; N329-S389 PolarHBondContact N-O 2.92Å; S389-I398 WeakPolarHBondContact CA-O 3.36Å; S389-I398 WeakPolarHBondContact CB-O 3.49Å; S389-I398 PolarHBondContact OG-O 2.94Å
390A98.7Very high98.2Very high0 Ų030.4 Ų30.40%014%0.144CC..EExtended strand (participates in β ladder)trans-146.3147.5174.200000112.2F106 N329 I398F106-A390 HydrophobicContact CD2-CB 4.35Å; F106-A390 HydrophobicContact CE2-CB 3.74Å; N329-A390 HydrophobicContact CB-CB 3.7Å; A390-I398 HydrophobicContact CB-CG2 4.33Å; A390-I398 PolarHBondContact N-O 3.45Å; A390-I398 VanDerWaalsContact N-O 3.1Å; A390-I398 PolarHBondContact O-N 2.96Å; A390-I398 VanDerWaalsContact O-N 3.12Å
391C98.5Very high98.3Very high2 Ų225.1 Ų25.11%0.01412%0.124CC..EExtended strand (participates in β ladder)trans-75.8155.7163.360.70000109.3C102 M301 P305C102-C391 VanDerWaalsContact CB-O 3.24Å; C102-C391 WeakPolarHBondContact CB-O 3.37Å; M301-C391 WeakPolarHBondContact O-CB 3.47Å; M301-C391 HydrophobicContact SD-CB 4.03Å; P305-C391 HydrophobicContact CG-CB 3.93Å; P305-C391 VanDerWaalsContact CG-N 3.31Å
392I98.4Very high98.4Very high0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-138.5133.8-174.4-54.7175.6000107.8R100 L101 G395 Q396 I398R100-I392 HydrophobicContact CG-CD1 3.93Å; R100-I392 HydrophobicContact CG-CG2 4.26Å; R100-I392 WeakPolarHBondContact O-CG2 3.3Å; L101-I392 HydrophobicContact CB-CG2 3.93Å; L101-I392 HydrophobicContact CD1-CG2 4.42Å; I392-G395 PolarHBondContact O-N 3.19Å; I392-Q396 WeakPolarHBondContact CA-O 3.42Å; I392-Q396 HydrophobicContact CB-CB 3.68Å; I392-Q396 WeakPolarHBondContact CB-O 3.44Å; I392-Q396 HydrophobicContact CD1-CB 4.23Å; I392-Q396 HydrophobicContact CG1-CB 4.45Å; I392-Q396 HydrophobicContact CG2-CB 3.93Å; I392-Q396 PolarHBondContact N-O 3.01Å; I392-Q396 PolarHBondContact O-N 3.45Å; I392-I398 HydrophobicContact CD1-CB 3.96Å; I392-I398 HydrophobicContact CD1-CG2 3.8Å; I392-I398 HydrophobicContact CG1-CG2 4.36Å
393G96.8Very high98.4Very high5 Ų513.7 Ų13.75%0.0528%0.075CC..THydrogen-bonded Turntrans-52.5154.2173.600000112.6L101 G395L101-G393 WeakPolarHBondContact CD1-O 3.43Å; G393-G395 VanDerWaalsContact C-N 3.29Å
394G96.9Very high98.4Very high35 Ų3512.1 Ų12.136%0.3617%0.065SC..THydrogen-bonded Turntrans75.415.3-172.200000114.4D164D164-G394 VanDerWaalsContact OD2-CA 3.27Å; D164-G394 WeakPolarHBondContact OD2-CA 3.31Å; D164-G394 PolarHBondContact OD2-N 3.5Å
395G97.8Very high98.1Very high1 Ų110.5 Ų10.51%0.016%0.063CC..THydrogen-bonded Turntrans79.146.2174.200000113.8G295 C296 P298 I392 G393G295-G395 CarbonylContact C-O 3.57Å; G295-G395 VanDerWaalsContact CA-O 3.25Å; G295-G395 WeakPolarHBondContact CA-O 3.15Å; C296-G395 PolarHBondContact N-O 3.25Å; C296-G395 WeakPolarHBondContact O-CA 3.33Å; C296-G395 VanDerWaalsContact O-O 3.13Å; P298-G395 VanDerWaalsContact CA-CA 3.49Å; I392-G395 PolarHBondContact O-N 3.19Å; G393-G395 VanDerWaalsContact C-N 3.29Å
396Q98.5Very high97.4Very high55 Ų5512.2 Ų12.226%0.2578%0.08SC..EExtended strand (participates in β ladder)trans-127.8160.9-177.7-71.8173.57800111.9V294 A304 I392V294-Q396 CarbonylContact O-C 3.53Å; V294-Q396 VanDerWaalsContact O-CA 3.27Å; V294-Q396 WeakPolarHBondContact O-CA 3.16Å; A304-Q396 WeakPolarHBondContact CB-O 3.02Å; I392-Q396 WeakPolarHBondContact CA-O 3.42Å; I392-Q396 HydrophobicContact CB-CB 3.68Å; I392-Q396 WeakPolarHBondContact CB-O 3.44Å; I392-Q396 HydrophobicContact CD1-CB 4.23Å; I392-Q396 HydrophobicContact CG1-CB 4.45Å; I392-Q396 HydrophobicContact CG2-CB 3.93Å; I392-Q396 PolarHBondContact N-O 3.01Å; I392-Q396 PolarHBondContact O-N 3.45Å
397G98.7Very high95.9Very high0 Ų017.7 Ų17.70%011%0.114CC..EExtended strand (participates in β ladder)trans-145.6151.8174.900000111.5V293 V294 A304V293-G397 CarbonylContact C-O 3.55Å; V293-G397 WeakPolarHBondContact CA-O 3.2Å; V294-G397 PolarHBondContact N-O 2.75Å; V294-G397 PolarHBondContact O-N 3.17Å; A304-G397 VanDerWaalsContact CB-CA 3.49Å
398I98.9Very high95.7Very high0 Ų018.6 Ų18.60%012%0.12CC..EExtended strand (participates in β ladder)trans-136.5141.7178.7-171.9155.4000109.9F106 I110 K292 V293 S389 A390 I392F106-I398 HydrophobicContact CB-CD1 3.4Å; F106-I398 VanDerWaalsContact CB-CD1 3.4Å; F106-I398 HydrophobicContact CB-CG1 3.85Å; F106-I398 HydrophobicContact CB-CG2 4.08Å; F106-I398 HydrophobicContact CD2-CG2 3.64Å; F106-I398 HydrophobicContact CE2-CG2 4.27Å; F106-I398 HydrophobicContact CG-CD1 4.4Å; F106-I398 HydrophobicContact CG-CG1 4.38Å; F106-I398 HydrophobicContact CG-CG2 4.01Å; I110-I398 HydrophobicContact CD1-CD1 3.58Å; I110-I398 HydrophobicContact CD1-CG1 4.27Å; K292-I398 CarbonylContact O-C 3.37Å; K292-I398 WeakPolarHBondContact O-CA 3.28Å; V293-I398 HydrophobicContact CG2-CD1 3.88Å; V293-I398 HydrophobicContact CG2-CG1 4.04Å; S389-I398 WeakPolarHBondContact CA-O 3.36Å; S389-I398 WeakPolarHBondContact CB-O 3.49Å; S389-I398 PolarHBondContact OG-O 2.94Å; A390-I398 HydrophobicContact CB-CG2 4.33Å; A390-I398 PolarHBondContact N-O 3.45Å; A390-I398 VanDerWaalsContact N-O 3.1Å; A390-I398 PolarHBondContact O-N 2.96Å; A390-I398 VanDerWaalsContact O-N 3.12Å; I392-I398 HydrophobicContact CD1-CB 3.96Å; I392-I398 HydrophobicContact CD1-CG2 3.8Å; I392-I398 HydrophobicContact CG1-CG2 4.36Å
399A98.9Very high95.6Very high0 Ų019.6 Ų19.60%013%0.126CC..EExtended strand (participates in β ladder)trans-140.6146171.800000110.1W291 K292 A308 I309 L312 G388W291-A399 CarbonylContact C-O 3.51Å; W291-A399 WeakPolarHBondContact CA-O 3.41Å; K292-A399 PolarHBondContact N-O 3.39Å; K292-A399 PolarHBondContact O-N 3.41Å; A308-A399 HydrophobicContact CB-CB 3.79Å; I309-A399 HydrophobicContact CG1-CB 3.94Å; L312-A399 HydrophobicContact CB-CB 4.47Å; L312-A399 HydrophobicContact CD2-CB 3.76Å; G388-A399 CarbonylContact O-C 3.46Å; G388-A399 VanDerWaalsContact O-CA 3.26Å; G388-A399 WeakPolarHBondContact O-CA 3.39Å
400I98.8Very high95.4Very high0 Ų020.7 Ų20.70%013%0.133CC..EExtended strand (participates in β ladder)trans-127151.2170.471.8156.9000110.5F106 L288 A290 W291 I371 I387 G388 L402F106-I400 HydrophobicContact CD1-CD1 4.36Å; F106-I400 HydrophobicContact CD1-CG1 4.1Å; F106-I400 HydrophobicContact CD1-CG2 3.94Å; F106-I400 HydrophobicContact CE1-CD1 4.48Å; F106-I400 HydrophobicContact CE1-CG1 4.08Å; L288-I400 HydrophobicContact CD1-CB 4.13Å; L288-I400 HydrophobicContact CD1-CD1 4.21Å; A290-I400 CarbonylContact O-C 3.57Å; A290-I400 WeakPolarHBondContact O-CA 3.41Å; W291-I400 HydrophobicContact CB-CG2 3.94Å; I371-I400 HydrophobicContact CD1-CD1 3.63Å; I371-I400 HydrophobicContact CG1-CD1 3.48Å; I371-I400 VanDerWaalsContact CG1-CD1 3.48Å; I371-I400 HydrophobicContact CG1-CG1 4.48Å; I371-I400 HydrophobicContact CG2-CD1 4.47Å; I387-I400 VanDerWaalsContact CA-O 3.3Å; I387-I400 WeakPolarHBondContact CA-O 3.35Å; G388-I400 PolarHBondContact N-O 3.31Å; G388-I400 VanDerWaalsContact N-O 3.11Å; G388-I400 PolarHBondContact O-N 2.9Å; I400-L402 HydrophobicContact CD1-CD1 4.07Å; I400-L402 HydrophobicContact CD1-CD2 3.8Å; I400-L402 HydrophobicContact CD1-CG 3.85Å; I400-L402 HydrophobicContact CG1-CG 4.49Å
401L98.7Very high95.2Very high0 Ų021.9 Ų21.90%014%0.141CC..EExtended strand (participates in β ladder)trans-113125.1173.5176.663.8000109V289 A290 L312 V316 M318 I323 Y385 I387V289-L401 HydrophobicContact CB-CB 4.24Å; V289-L401 HydrophobicContact CB-CD2 3.83Å; V289-L401 HydrophobicContact CB-CG 3.88Å; V289-L401 HydrophobicContact CG1-CD2 3.79Å; V289-L401 HydrophobicContact CG1-CG 4.4Å; V289-L401 HydrophobicContact CG2-CD2 4.36Å; V289-L401 HydrophobicContact CG2-CG 4.19Å; V289-L401 PolarHBondContact N-O 2.76Å; A290-L401 PolarHBondContact O-N 3.05Å; L312-L401 HydrophobicContact CD1-CB 4.22Å; L312-L401 HydrophobicContact CD2-CB 3.98Å; L312-L401 HydrophobicContact CG-CB 4.3Å; V316-L401 HydrophobicContact CB-CD2 4.47Å; V316-L401 HydrophobicContact CG1-CD2 4.12Å; V316-L401 HydrophobicContact CG2-CD2 3.98Å; M318-L401 HydrophobicContact SD-CD2 3.82Å; I323-L401 HydrophobicContact CD1-CD1 3.8Å; Y385-L401 HydrophobicContact CD1-CD1 4.3Å; I387-L401 HydrophobicContact CD1-CD1 4.36Å; I387-L401 HydrophobicContact CG1-CD1 3.74Å
402L98.6Very high95Very high0 Ų023.1 Ų23.10%015%0.149CC..EExtended strand (participates in β ladder)trans-112.1141.7175.7-60.9175.2000109.6I19 R287 L288 I371 L374 V375 L378 Y385 G386 I400I19-L402 HydrophobicContact CD1-CD2 3.93Å; R287-L402 CarbonylContact O-C 3.5Å; R287-L402 WeakPolarHBondContact O-CA 2.98Å; L288-L402 HydrophobicContact CB-CD2 4.48Å; L288-L402 HydrophobicContact CD1-CD2 4.1Å; I371-L402 HydrophobicContact CG2-CD1 4.34Å; L374-L402 HydrophobicContact CB-CD1 3.85Å; L374-L402 HydrophobicContact CD1-CD1 4.29Å; V375-L402 HydrophobicContact CG1-CD1 3.91Å; L378-L402 HydrophobicContact CD1-CB 4.01Å; Y385-L402 WeakPolarHBondContact CA-O 3.48Å; G386-L402 PolarHBondContact N-O 2.73Å; G386-L402 PolarHBondContact O-N 2.93Å; I400-L402 HydrophobicContact CD1-CD1 4.07Å; I400-L402 HydrophobicContact CD1-CD2 3.8Å; I400-L402 HydrophobicContact CD1-CG 3.85Å; I400-L402 HydrophobicContact CG1-CG 4.49Å
403E98.1Very high94.8Very high24 Ų2424.7 Ų24.711%0.11216%0.159CC..EExtended strand (participates in β ladder)trans-118.7127.7173.4175.1176.4-135.700109.7A286 R287 V289 K384 Y385 V405A286-E403 CarbonylContact C-O 3.58Å; A286-E403 WeakPolarHBondContact CA-O 3.5Å; A286-E403 WeakPolarHBondContact CB-O 3.46Å; R287-E403 HydrophobicContact CB-CB 4.32Å; R287-E403 IonicContact CZ-OE2 3.84Å; R287-E403 PolarHBondContact N-O 2.86Å; R287-E403 IonicContact NE-OE2 3.6Å; R287-E403 PolarHBondContact NE-OE2 2.81Å; R287-E403 IonicContact NH2-OE2 2.68Å; R287-E403 PolarHBondContact NH2-OE2 3.12Å; R287-E403 PolarHBondContact O-N 3.41Å; V289-E403 HydrophobicContact CG2-CB 3.57Å; K384-E403 WeakPolarHBondContact CE-OE1 3.33Å; K384-E403 HydrophobicContact CG-CG 4.34Å; K384-E403 IonicContact NZ-OE1 2.69Å; K384-E403 CarbonylContact O-C 3.58Å; K384-E403 WeakPolarHBondContact O-CA 3.49Å; Y385-E403 HydrophobicContact CD1-CB 3.91Å; Y385-E403 HydrophobicContact CD1-CG 4.14Å; Y385-E403 HydrophobicContact CE1-CB 3.71Å; Y385-E403 HydrophobicContact CE1-CG 3.6Å; Y385-E403 WeakPolarHBondContact CE1-OE1 3.36Å; Y385-E403 PolarHBondContact OH-OE1 3.35Å; E403-V405 PolarHBondContact O-N 3.37Å
404N98Very high94.6Very high3 Ų326.1 Ų26.12%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-66.9128.9170-171.6-3.2000109.9L378 V383 K384 S406 T407L378-N404 HydrophobicContact CB-CB 4.17Å; L378-N404 PolarHBondContact O-ND2 3.28Å; V383-N404 WeakPolarHBondContact O-CB 3.47Å; V383-N404 PolarHBondContact O-ND2 3Å; K384-N404 PolarHBondContact O-N 3.35Å; N404-S406 WeakPolarHBondContact OD1-CB 3.33Å; N404-S406 PolarHBondContact OD1-N 3.39Å; N404-T407 WeakPolarHBondContact ND2-CG2 3.47Å; N404-T407 PolarHBondContact O-OG1 3.05Å
405V92.4Very high94.4Very high54 Ų5425.4 Ų25.433%0.32715%0.152SC..SBendtrans-96.7-3.6-179.4-59.50000112.9F18 P284 R287 E403F18-V405 HydrophobicContact CD1-CG1 3.91Å; F18-V405 HydrophobicContact CE1-CG1 3.71Å; P284-V405 HydrophobicContact CB-CG2 3.93Å; P284-V405 HydrophobicContact CG-CG2 3.88Å; P284-V405 WeakPolarHBondContact O-CG2 3.21Å; R287-V405 HydrophobicContact CB-CG1 4.03Å; E403-V405 PolarHBondContact O-N 3.37Å
406S83.7Confident94.1Very high77 Ų7727.4 Ų27.454%0.53816%0.164SC..  trans-90.9-4-179.2-54.70000113.8N404N404-S406 WeakPolarHBondContact OD1-CB 3.33Å; N404-S406 PolarHBondContact OD1-N 3.39Å
407T66.6Low93.8Very high116 Ų11624.9 Ų24.971%0.71216%0.155SC*.  trans-108.90-174.450.80000113Q382 N404Q382-T407 HydrophobicContact CB-CG2 4.48Å; N404-T407 WeakPolarHBondContact ND2-CG2 3.47Å; N404-T407 PolarHBondContact O-OG1 3.05Å

Retrieved 407 of 407 residues in 724.5 ms (Link to these results)

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