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Adenylosuccinate synthetase

Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first committed step in the biosynthesis of AMP from IMP (By similarity).

AlphaFold DB , UniProt , Accession C4QCD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 426 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
1M40Very low71.6Confident240 Ų24090.3 Ų90.3100%1.18249%0.494SS*.  0105.80-68.3-177.5-164.100108.7K3M1-K3 PolarHBondContact O-N 3.32Å
2T47Very low73.9Confident144 Ų14482.8 Ų82.888%0.88345%0.453SS*.  trans-72.7109.8164390000107.1S4T2-S4 PolarHBondContact O-N 3.18Å
3K54.5Low75.7Confident195 Ų19576.4 Ų76.485%0.84842%0.418SS*.  trans-59.7114.1167.2-76.9-178.1177.4176.30106.3M1 V5M1-K3 PolarHBondContact O-N 3.32Å; K3-V5 PolarHBondContact O-N 3.46Å; K3-V5 VanDerWaalsContact O-N 3.12Å
4S56.4Low77.3Confident97 Ų9770.9 Ų70.968%0.67839%0.388SS*.  trans-57.2119.8165.754.30000106.8T2 E6T2-S4 PolarHBondContact O-N 3.18Å; S4-E6 PolarHBondContact O-N 3.28Å
5V60.1Low78.7Confident64 Ų6466.2 Ų66.239%0.38836%0.362SS..  trans-75.289.1175.4-176.80000107.2K3 L8 S255K3-V5 PolarHBondContact O-N 3.46Å; K3-V5 VanDerWaalsContact O-N 3.12Å; V5-L8 HydrophobicContact CB-CD2 4.36Å; V5-L8 HydrophobicContact CG1-CD2 3.54Å; V5-L8 HydrophobicContact CG1-CG 4.35Å; V5-S255 WeakPolarHBondContact CG1-O 3.32Å
6E70.9Confident79.8Confident102 Ų10262.1 Ų62.148%0.47734%0.34SS..  trans-73.6143.7161.6-64.7-171.3156.800108.7S4 K212S4-E6 PolarHBondContact O-N 3.28Å; E6-K212 VanDerWaalsContact CD-CE 3.49Å; E6-K212 VanDerWaalsContact OE1-CE 3.32Å; E6-K212 WeakPolarHBondContact OE1-CE 2.89Å; E6-K212 IonicContact OE1-NZ 2.74Å; E6-K212 PolarHBondContact OE1-NZ 3.32Å; E6-K212 WeakPolarHBondContact OE2-CE 3.11Å; E6-K212 IonicContact OE2-NZ 2.77Å; E6-K212 PolarHBondContact OE2-NZ 2.81Å
7G78.5Confident80.6Confident24 Ų2458.9 Ų58.925%0.24732%0.321CS..  trans82.779.5176.300000113.3V209 R256G7-V209 WeakPolarHBondContact CA-O 3.4Å; G7-V209 WeakPolarHBondContact O-CG2 3.09Å; G7-R256 WeakPolarHBondContact O-CD 3.37Å
8L89.9Confident80.9Confident89 Ų8956.2 Ų56.247%0.46631%0.31SS..  trans-107.5145.4175.8-66175.3000109.9V5 R256V5-L8 HydrophobicContact CB-CD2 4.36Å; V5-L8 HydrophobicContact CG1-CD2 3.54Å; V5-L8 HydrophobicContact CG1-CG 4.35Å; L8-R256 WeakPolarHBondContact CA-O 3.44Å
9V95.3Very high81.3Confident1 Ų155.6 Ų55.61%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-93.6143173.1-48.80000110V11 V209 I216 V218 L252 R256 G258V9-V11 HydrophobicContact CG2-CG2 4.06Å; V9-V209 HydrophobicContact CG1-CG2 3.78Å; V9-I216 HydrophobicContact CB-CB 4.25Å; V9-I216 HydrophobicContact CB-CG2 4.37Å; V9-I216 HydrophobicContact CG1-CB 3.9Å; V9-I216 HydrophobicContact CG1-CD1 4.3Å; V9-I216 HydrophobicContact CG1-CG2 4.05Å; V9-V218 HydrophobicContact CB-CG2 4.33Å; V9-V218 HydrophobicContact CG2-CG2 4.12Å; V9-L252 HydrophobicContact CB-CD2 4.37Å; V9-L252 HydrophobicContact CG1-CD2 3.82Å; V9-L252 HydrophobicContact CG2-CD2 3.57Å; V9-R256 PolarHBondContact N-O 3.48Å; V9-G258 VanDerWaalsContact O-CA 3.3Å; V9-G258 WeakPolarHBondContact O-CA 3.37Å; V9-G258 PolarHBondContact O-N 2.78Å
10S97.2Very high81.9Confident37 Ų3752.8 Ų52.826%0.25929%0.291SS..EExtended strand (participates in β ladder)trans-89.1144.9166.6-63.80000109.5I216 L217 V218 R259S10-I216 PolarHBondContact N-O 3.33Å; S10-L217 CarbonylContact O-C 3.51Å; S10-L217 WeakPolarHBondContact O-CA 3.32Å; S10-V218 PolarHBondContact O-N 2.78Å; S10-R259 CarbonylContact C-O 3.54Å; S10-R259 WeakPolarHBondContact CA-O 3.39Å
11V98.2Very high82.4Confident0 Ų051.7 Ų51.70%029%0.291CS..EExtended strand (participates in β ladder)trans-127.4136.1-176.2-178.20000109.3V9 L13 V218 V246 V257 R259 V260 Y261V9-V11 HydrophobicContact CG2-CG2 4.06Å; V11-L13 HydrophobicContact CG1-CD1 4.12Å; V11-L13 HydrophobicContact CG1-CD2 4.16Å; V11-L13 HydrophobicContact CG1-CG 3.8Å; V11-V218 CarbonylContact C-O 3.58Å; V11-V218 WeakPolarHBondContact CA-O 3.33Å; V11-V218 HydrophobicContact CG2-CB 4.31Å; V11-V246 HydrophobicContact CG1-CG2 3.77Å; V11-V246 HydrophobicContact CG2-CG1 4.21Å; V11-V257 HydrophobicContact CG2-CG1 4.05Å; V11-R259 PolarHBondContact N-O 3.32Å; V11-V260 HydrophobicContact CB-CG1 4.24Å; V11-V260 HydrophobicContact CB-CG2 4.33Å; V11-V260 HydrophobicContact CG1-CG1 4.28Å; V11-Y261 PolarHBondContact O-N 3.14Å
12V98.4Very high84.9Confident0 Ų040.6 Ų40.60%024%0.236CC..EExtended strand (participates in β ladder)trans-119.1117.7173.21750000109.1K22 L25 V26 L29 L217 V218 G220 Y261 V263V12-K22 HydrophobicContact CG1-CG 4.46Å; V12-L25 HydrophobicContact CG1-CD2 3.96Å; V12-L25 HydrophobicContact CG2-CD2 4.04Å; V12-L25 HydrophobicContact CG2-CG 4.37Å; V12-V26 HydrophobicContact CB-CG2 4.03Å; V12-V26 HydrophobicContact CG1-CG2 3.94Å; V12-V26 HydrophobicContact CG2-CG2 4.31Å; V12-L29 HydrophobicContact CG2-CD1 3.73Å; V12-L217 HydrophobicContact CG2-CD1 3.83Å; V12-V218 PolarHBondContact N-O 3.16Å; V12-G220 PolarHBondContact O-N 3.13Å; V12-Y261 WeakPolarHBondContact CA-O 3.19Å; V12-Y261 HydrophobicContact CG2-CD2 4.44Å; V12-V263 HydrophobicContact CG1-CG2 3.56Å
13L98.2Very high87Confident0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-126.6150.4178.2-61.2173.4000110.3V11 V260 Y261 G262 V263 N320 F322V11-L13 HydrophobicContact CG1-CD1 4.12Å; V11-L13 HydrophobicContact CG1-CD2 4.16Å; V11-L13 HydrophobicContact CG1-CG 3.8Å; L13-V260 HydrophobicContact CD1-CG1 4.25Å; L13-Y261 PolarHBondContact N-O 2.75Å; L13-G262 CarbonylContact O-C 3.57Å; L13-G262 WeakPolarHBondContact O-CA 3.32Å; L13-V263 PolarHBondContact O-N 3.11Å; L13-N320 HydrophobicContact CD1-CB 4.4Å; L13-N320 VanDerWaalsContact CD1-OD1 3.23Å; L13-N320 WeakPolarHBondContact CD1-OD1 3.48Å; L13-F322 HydrophobicContact CB-CE1 4.21Å
14G97.7Very high88.8Confident0 Ų026 Ų260%016%0.161CC..EExtended strand (participates in β ladder)trans-87.5135.617200000109.4S223 C224G14-S223 WeakPolarHBondContact CA-OG 3.49Å; G14-S223 WeakPolarHBondContact O-CA 3.43Å; G14-S223 WeakPolarHBondContact O-CB 3.42Å; G14-C224 PolarHBondContact O-N 2.81Å
15A97.9Very high90.6Very high0 Ų021.5 Ų21.50%013%0.13CC..SBendtrans-94.94.1-176.500000113.7V263 I264 I313 A316 F322A15-V263 PolarHBondContact N-O 2.93Å; A15-I264 HydrophobicContact CB-CG2 3.72Å; A15-I313 HydrophobicContact CB-CG2 4.31Å; A15-A316 HydrophobicContact CB-CB 3.92Å; A15-A316 WeakPolarHBondContact O-CB 3.37Å; A15-F322 HydrophobicContact CB-CE2 3.71Å; A15-F322 HydrophobicContact CB-CZ 3.91Å
16Q96.5Very high92.3Very high0 Ų018.5 Ų18.50%011%0.112CC..SBendtrans-122-144.5-179.4-62168.7-66.300110.2E20 S223 M225 Y267 T268 I313Q16-E20 VanDerWaalsContact C-OE1 3.3Å; Q16-E20 WeakPolarHBondContact CA-OE1 3.32Å; Q16-E20 HydrophobicContact CB-CG 4.06Å; Q16-E20 HydrophobicContact CG-CG 4.48Å; Q16-E20 PolarHBondContact N-OE1 3.01Å; Q16-E20 VanDerWaalsContact N-OE1 3.16Å; Q16-S223 WeakPolarHBondContact O-CB 3.46Å; Q16-M225 VanDerWaalsContact O-CB 3.28Å; Q16-M225 WeakPolarHBondContact O-CB 3.46Å; Q16-M225 WeakPolarHBondContact O-CG 3.31Å; Q16-M225 PolarHBondContact O-N 3.48Å; Q16-Y267 PolarHBondContact NE2-O 3.02Å; Q16-T268 PolarHBondContact NE2-OG1 3.48Å; Q16-T268 VanDerWaalsContact NE2-OG1 3.09Å; Q16-I313 HydrophobicContact CG-CG1 4.35Å
17W93.8Very high93.3Very high8 Ų813.8 Ų13.83%0.039%0.09CC..SBendtrans-93.513.1-178.3-76.8-86.5000114.7M225 L226 T232 T268 R270 V312 F357W17-M225 HydrophobicContact CB-CB 4.46Å; W17-M225 VanDerWaalsContact CD1-CB 3.45Å; W17-M225 HydrophobicContact CD2-CB 3.67Å; W17-M225 HydrophobicContact CD2-CG 4.06Å; W17-M225 HydrophobicContact CE3-CB 4.44Å; W17-M225 HydrophobicContact CE3-CG 4.37Å; W17-M225 HydrophobicContact CG-CB 3.65Å; W17-M225 HydrophobicContact CG-CG 4.47Å; W17-M225 HydrophobicContact CZ2-CB 4.25Å; W17-M225 HydrophobicContact CZ2-CE 4.01Å; W17-M225 HydrophobicContact CZ2-CG 4.31Å; W17-L226 VanDerWaalsContact O-CD1 3.24Å; W17-L226 WeakPolarHBondContact O-CD1 3.5Å; W17-L226 WeakPolarHBondContact O-CG 3.37Å; W17-T232 HydrophobicContact CZ2-CG2 3.68Å; W17-T232 PolarHBondContact NE1-OG1 3.12Å; W17-T232 VanDerWaalsContact NE1-OG1 3.17Å; W17-T268 HydrophobicContact CE3-CG2 3.65Å; W17-T268 HydrophobicContact CZ3-CG2 3.74Å; W17-R270 HydrophobicContact CB-CB 4.35Å; W17-R270 HydrophobicContact CB-CG 4.18Å; W17-R270 HydrophobicContact CG-CG 4.21Å; W17-V312 HydrophobicContact CE3-CG1 4.46Å; W17-V312 HydrophobicContact CH2-CB 4.44Å; W17-V312 HydrophobicContact CH2-CG1 4.17Å; W17-V312 HydrophobicContact CH2-CG2 3.4Å; W17-V312 VanDerWaalsContact CH2-CG2 3.4Å; W17-V312 HydrophobicContact CZ2-CG2 4.45Å; W17-V312 HydrophobicContact CZ3-CB 4.34Å; W17-V312 HydrophobicContact CZ3-CG1 3.89Å; W17-V312 HydrophobicContact CZ3-CG2 3.64Å; W17-F357 AromaticContact CH2-CE2 3.94Å; W17-F357 HydrophobicContact CH2-CE2 3.94Å; W17-F357 HydrophobicContact CH2-CZ 4.21Å; W17-F357 HydrophobicContact CZ2-CE2 4.02Å; W17-F357 AromaticContact CZ2-CZ 3.81Å; W17-F357 HydrophobicContact CZ2-CZ 3.81Å
18G86.3Confident94Very high11 Ų1113.9 Ų13.911%0.1138%0.084CC..SBendtrans107.8167.6-174.600000112.9E20 S223G18-E20 VanDerWaalsContact C-CD 3.42Å; G18-E20 VanDerWaalsContact C-N 3.32Å; G18-E20 WeakPolarHBondContact CA-OE1 3.25Å; G18-E20 VanDerWaalsContact CA-OE2 3.31Å; G18-E20 WeakPolarHBondContact CA-OE2 3.41Å; G18-E20 PolarHBondContact N-OE1 3.06Å; G18-E20 PolarHBondContact O-N 3.2Å; G18-S223 VanDerWaalsContact CA-OG 3.24Å; G18-S223 WeakPolarHBondContact CA-OG 3.25Å; G18-S223 VanDerWaalsContact N-CB 3.34Å; G18-S223 PolarHBondContact N-OG 3.25Å
19D87.1Confident94.2Very high44 Ų4410.7 Ų10.724%0.2357%0.068CC..  trans6426.9180-166.465000116G21 K265 R303D19-G21 PolarHBondContact O-N 2.87Å; D19-G21 VanDerWaalsContact O-N 3.15Å; D19-K265 WeakPolarHBondContact O-CE 3.3Å; D19-K265 PolarHBondContact O-NZ 2.78Å; D19-K265 IonicContact OD2-NZ 2.83Å; D19-K265 PolarHBondContact OD2-NZ 3.43Å; D19-R303 VanDerWaalsContact CG-NE 3.28Å; D19-R303 IonicContact OD1-CZ 2.64Å; D19-R303 IonicContact OD1-NE 3.81Å; D19-R303 IonicContact OD1-NH1 3.32Å; D19-R303 PolarHBondContact OD1-NH1 3.25Å; D19-R303 IonicContact OD1-NH2 3.31Å; D19-R303 PolarHBondContact OD1-NH2 2.98Å; D19-R303 WeakPolarHBondContact OD2-CD 3.33Å; D19-R303 IonicContact OD2-CZ 3.67Å; D19-R303 IonicContact OD2-NE 3.91Å; D19-R303 PolarHBondContact OD2-NE 2.97Å; D19-R303 VanDerWaalsContact OD2-NE 3.17Å; D19-R303 IonicContact OD2-NH1 2.77Å; D19-R303 PolarHBondContact OD2-NH1 3.22Å; D19-R303 IonicContact OD2-NH2 3.09Å; D19-R303 PolarHBondContact OD2-NH2 2.95Å
20E94.1Very high94.1Very high0 Ų010.7 Ų10.70%07%0.068CC..SBendtrans-77.33.4179.6-49.587.9161.800113.1Q16 G18 K22 S223 V263 T328Q16-E20 VanDerWaalsContact C-OE1 3.3Å; Q16-E20 WeakPolarHBondContact CA-OE1 3.32Å; Q16-E20 HydrophobicContact CB-CG 4.06Å; Q16-E20 HydrophobicContact CG-CG 4.48Å; Q16-E20 PolarHBondContact N-OE1 3.01Å; Q16-E20 VanDerWaalsContact N-OE1 3.16Å; G18-E20 VanDerWaalsContact C-CD 3.42Å; G18-E20 VanDerWaalsContact C-N 3.32Å; G18-E20 WeakPolarHBondContact CA-OE1 3.25Å; G18-E20 VanDerWaalsContact CA-OE2 3.31Å; G18-E20 WeakPolarHBondContact CA-OE2 3.41Å; G18-E20 PolarHBondContact N-OE1 3.06Å; G18-E20 PolarHBondContact O-N 3.2Å; E20-K22 IonicContact OE2-NZ 2.62Å; E20-K22 PolarHBondContact OE2-NZ 3.04Å; E20-S223 WeakPolarHBondContact OE1-CB 3.34Å; E20-S223 PolarHBondContact OE1-OG 3.1Å; E20-S223 PolarHBondContact OE2-OG 3.09Å; E20-V263 HydrophobicContact CB-CB 4.13Å; E20-V263 HydrophobicContact CB-CG1 3.82Å; E20-V263 WeakPolarHBondContact CB-O 3.24Å; E20-V263 WeakPolarHBondContact CG-O 3.29Å; E20-V263 WeakPolarHBondContact O-CG1 3.49Å; E20-T328 WeakPolarHBondContact O-CB 3.3Å; E20-T328 WeakPolarHBondContact O-CG2 3.5Å; E20-T328 PolarHBondContact O-OG1 3.45Å
21G91.6Very high93.9Very high29 Ų2914.3 Ų14.330%0.2998%0.08SC..  trans81.728.3-17600000114D19 G23 K24D19-G21 PolarHBondContact O-N 2.87Å; D19-G21 VanDerWaalsContact O-N 3.15Å; G21-G23 VanDerWaalsContact C-N 3.26Å; G21-G23 PolarHBondContact O-N 3.34Å; G21-K24 WeakPolarHBondContact O-CB 3.4Å; G21-K24 PolarHBondContact O-N 3.31Å
22K93.6Very high93.6Very high8 Ų817.9 Ų17.94%0.03511%0.106CC..Hα-helixtrans-49.3-44.6177.3-72.9-175.2-70.4-72.90113.3V12 E20 K24 L25 V26 H47 G220 S223 V263V12-K22 HydrophobicContact CG1-CG 4.46Å; E20-K22 IonicContact OE2-NZ 2.62Å; E20-K22 PolarHBondContact OE2-NZ 3.04Å; K22-K24 PolarHBondContact O-N 2.92Å; K22-L25 PolarHBondContact O-N 3.4Å; K22-L25 VanDerWaalsContact O-N 3.08Å; K22-V26 WeakPolarHBondContact O-CG2 3.36Å; K22-V26 PolarHBondContact O-N 2.72Å; K22-H47 WeakPolarHBondContact CE-NE2 3.26Å; K22-G220 WeakPolarHBondContact CD-O 3.46Å; K22-G220 WeakPolarHBondContact CE-O 3.29Å; K22-S223 PolarHBondContact NZ-OG 3.47Å; K22-V263 HydrophobicContact CG-CB 4.05Å; K22-V263 HydrophobicContact CG-CG2 3.98Å
23G91.8Very high93.4Very high3 Ų318.8 Ų18.83%0.03111%0.111CC..Hα-helixtrans-53.1-39.7179.600000112.7G21 V26 D27G21-G23 VanDerWaalsContact C-N 3.26Å; G21-G23 PolarHBondContact O-N 3.34Å; G23-V26 PolarHBondContact O-N 2.76Å; G23-D27 WeakPolarHBondContact O-CB 3.37Å; G23-D27 PolarHBondContact O-N 2.74Å
24K91.5Very high93.2Very high28 Ų2820.6 Ų20.612%0.12212%0.124CC..Hα-helixtrans-66.5-41.5178.1177.8170.7167.2166.70112.9G21 K22 L28 G415 S417 S420G21-K24 WeakPolarHBondContact O-CB 3.4Å; G21-K24 PolarHBondContact O-N 3.31Å; K22-K24 PolarHBondContact O-N 2.92Å; K24-L28 PolarHBondContact O-N 3.45Å; K24-L28 VanDerWaalsContact O-N 3.12Å; K24-G415 PolarHBondContact NZ-O 2.86Å; K24-S417 WeakPolarHBondContact CE-O 3.33Å; K24-S417 PolarHBondContact NZ-O 3.22Å; K24-S420 PolarHBondContact NZ-O 3.47Å
25L94.7Very high93.2Very high3 Ų320.8 Ų20.82%0.01613%0.125CC..Hα-helixtrans-70.1-41.7175.7-178.864.5000111.2V12 K22 D27 L28 L29 V263 A326 W411V12-L25 HydrophobicContact CG1-CD2 3.96Å; V12-L25 HydrophobicContact CG2-CD2 4.04Å; V12-L25 HydrophobicContact CG2-CG 4.37Å; K22-L25 PolarHBondContact O-N 3.4Å; K22-L25 VanDerWaalsContact O-N 3.08Å; L25-D27 VanDerWaalsContact C-N 3.28Å; L25-D27 PolarHBondContact O-N 3.11Å; L25-L28 HydrophobicContact CD1-CD2 4.44Å; L25-L28 PolarHBondContact O-N 2.94Å; L25-L29 HydrophobicContact CD1-CD1 3.99Å; L25-L29 HydrophobicContact CD1-CG 3.99Å; L25-L29 HydrophobicContact CD2-CD1 4.28Å; L25-L29 HydrophobicContact CG-CD1 3.82Å; L25-L29 HydrophobicContact CG-CG 4.2Å; L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 3.41Å; L25-V263 HydrophobicContact CB-CG2 4.35Å; L25-V263 HydrophobicContact CD2-CG2 3.66Å; L25-A326 HydrophobicContact CD1-CB 4.3Å; L25-A326 HydrophobicContact CD2-CB 3.78Å; L25-A326 HydrophobicContact CG-CB 4.45Å; L25-W411 HydrophobicContact CD1-CD2 3.65Å; L25-W411 HydrophobicContact CD1-CE3 3.95Å; L25-W411 HydrophobicContact CD1-CG 3.95Å; L25-W411 HydrophobicContact CD1-CZ2 4.3Å; L25-W411 HydrophobicContact CD1-CZ3 4.37Å; L25-W411 HydrophobicContact CD2-CE3 4.41Å; L25-W411 HydrophobicContact CD2-CZ3 4.48Å
26V95.2Very high93.2Very high1 Ų120.9 Ų20.91%0.00613%0.126CC..Hα-helixtrans-59.9-44.3176.9170.50000110.3V12 K22 G23 L29 S30 S63 L217 E219V12-V26 HydrophobicContact CB-CG2 4.03Å; V12-V26 HydrophobicContact CG1-CG2 3.94Å; V12-V26 HydrophobicContact CG2-CG2 4.31Å; K22-V26 WeakPolarHBondContact O-CG2 3.36Å; K22-V26 PolarHBondContact O-N 2.72Å; G23-V26 PolarHBondContact O-N 2.76Å; V26-L29 PolarHBondContact O-N 2.99Å; V26-S30 WeakPolarHBondContact O-CB 3.35Å; V26-S30 PolarHBondContact O-N 2.69Å; V26-S63 WeakPolarHBondContact CG1-OG 3.48Å; V26-L217 HydrophobicContact CB-CD2 4.46Å; V26-L217 HydrophobicContact CG1-CD2 3.97Å; V26-E219 HydrophobicContact CG1-CB 4.36Å; V26-E219 HydrophobicContact CG2-CB 3.94Å; V26-E219 HydrophobicContact CG2-CG 3.81Å
27D92.4Very high93.3Very high3 Ų320.9 Ų20.92%0.01613%0.126CC..Hα-helixtrans-57.5-52.4176.4-174.136.8000111.8G23 L25 L29 S30 V49 V66 R418G23-D27 WeakPolarHBondContact O-CB 3.37Å; G23-D27 PolarHBondContact O-N 2.74Å; L25-D27 VanDerWaalsContact C-N 3.28Å; L25-D27 PolarHBondContact O-N 3.11Å; D27-L29 PolarHBondContact O-N 2.9Å; D27-S30 PolarHBondContact O-N 3.41Å; D27-S30 PolarHBondContact O-OG 2.88Å; D27-V49 HydrophobicContact CB-CG1 3.87Å; D27-V49 HydrophobicContact CB-CG2 4.47Å; D27-V49 VanDerWaalsContact CG-CG1 3.47Å; D27-V49 WeakPolarHBondContact OD2-CG1 3.26Å; D27-V66 WeakPolarHBondContact OD1-CG2 3.4Å; D27-R418 VanDerWaalsContact CG-CZ 3.46Å; D27-R418 VanDerWaalsContact CG-NE 3.31Å; D27-R418 IonicContact OD1-CZ 3.77Å; D27-R418 VanDerWaalsContact OD1-CZ 3.27Å; D27-R418 IonicContact OD1-NE 3.95Å; D27-R418 IonicContact OD1-NH2 3.66Å; D27-R418 PolarHBondContact OD1-NH2 2.91Å; D27-R418 IonicContact OD2-CZ 3.89Å; D27-R418 IonicContact OD2-NE 2.67Å; D27-R418 PolarHBondContact OD2-NE 3.49Å; D27-R418 IonicContact OD2-NH2 2.68Å; D27-R418 PolarHBondContact OD2-NH2 3.17Å
28L93.1Very high93.4Very high26 Ų2620.6 Ų20.614%0.13613%0.125CC..Hα-helixtrans-56.6-48.5174.8-179.771.1000112.6K24 L25 S30 R418 I421 I423K24-L28 PolarHBondContact O-N 3.45Å; K24-L28 VanDerWaalsContact O-N 3.12Å; L25-L28 HydrophobicContact CD1-CD2 4.44Å; L25-L28 PolarHBondContact O-N 2.94Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 3.19Å; L28-R418 HydrophobicContact CD1-CG 4.43Å; L28-I421 HydrophobicContact CD1-CG2 4.42Å; L28-I421 HydrophobicContact CD2-CD1 3.97Å; L28-I421 HydrophobicContact CD2-CG2 4Å; L28-I423 HydrophobicContact CD2-CD1 4.32Å
29L94.3Very high94Very high23 Ų2320 Ų2012%0.1212%0.119CC..Hα-helixtrans-71.3-28.1-176.9-67.4179.5000112.3V12 L25 V26 D27 E31 S32 C33 L217 Y261 W411V12-L29 HydrophobicContact CG2-CD1 3.73Å; L25-L29 HydrophobicContact CD1-CD1 3.99Å; L25-L29 HydrophobicContact CD1-CG 3.99Å; L25-L29 HydrophobicContact CD2-CD1 4.28Å; L25-L29 HydrophobicContact CG-CD1 3.82Å; L25-L29 HydrophobicContact CG-CG 4.2Å; L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 VanDerWaalsContact O-CG 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.34Å; L25-L29 PolarHBondContact O-N 3.41Å; V26-L29 PolarHBondContact O-N 2.99Å; D27-L29 PolarHBondContact O-N 2.9Å; L29-E31 PolarHBondContact O-N 2.85Å; L29-S32 PolarHBondContact O-N 3.3Å; L29-S32 PolarHBondContact O-OG 3.39Å; L29-C33 PolarHBondContact O-SG 3.38Å; L29-L217 HydrophobicContact CB-CD1 4.36Å; L29-L217 HydrophobicContact CB-CD2 3.77Å; L29-L217 HydrophobicContact CD1-CD1 4.19Å; L29-Y261 HydrophobicContact CD1-CD2 3.81Å; L29-Y261 HydrophobicContact CD1-CE2 4.05Å; L29-W411 HydrophobicContact CD2-CH2 4.46Å; L29-W411 HydrophobicContact CD2-CZ2 3.84Å
30S93.3Very high94.5Very high0 Ų018.1 Ų18.10%011%0.109CC..Hα-helixtrans-64.4-22.5-178.1760000113.2V26 D27 L28 S32 C33 N67V26-S30 WeakPolarHBondContact O-CB 3.35Å; V26-S30 PolarHBondContact O-N 2.69Å; D27-S30 PolarHBondContact O-N 3.41Å; D27-S30 PolarHBondContact O-OG 2.88Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 3.19Å; S30-S32 PolarHBondContact O-N 2.91Å; S30-C33 PolarHBondContact O-N 3.25Å; S30-N67 PolarHBondContact O-ND2 2.78Å
31E92.1Very high94.6Very high113 Ų11318.1 Ų18.153%0.52811%0.109SC..THydrogen-bonded Turntrans-58.3-33.6175.7-66.8-176.3171.500112.6L29 R418L29-E31 PolarHBondContact O-N 2.85Å; E31-R418 IonicContact OE1-CZ 2.73Å; E31-R418 IonicContact OE1-NE 3.42Å; E31-R418 IonicContact OE1-NH1 3.06Å; E31-R418 PolarHBondContact OE1-NH1 3.47Å
32S91.1Very high94.8Very high76 Ų7616.8 Ų16.853%0.53110%0.095SC..THydrogen-bonded Turntrans-96.45179.567.70000113.7L29 S30 N215L29-S32 PolarHBondContact O-N 3.3Å; L29-S32 PolarHBondContact O-OG 3.39Å; S30-S32 PolarHBondContact O-N 2.91Å; S32-N215 WeakPolarHBondContact O-CB 3.31Å; S32-N215 PolarHBondContact O-ND2 3.26Å
33C94.1Very high94.9Very high18 Ų1816.8 Ų16.812%0.12210%0.096CC..  trans-108.9154.8-175.4-620000111.9L29 S30 V70 N215 L217L29-C33 PolarHBondContact O-SG 3.38Å; S30-C33 PolarHBondContact O-N 3.25Å; C33-V70 WeakPolarHBondContact O-CG1 3.01Å; C33-N215 HydrophobicContact CB-CB 4.46Å; C33-L217 HydrophobicContact CB-CB 4.36Å
34S95Very high95.1Very high39 Ų3917.6 Ų17.627%0.27310%0.099SC..SBendtrans-105.5-18.7171.655.60000112.5V70 L71 A214 N215S34-V70 WeakPolarHBondContact O-CA 3.27Å; S34-L71 PolarHBondContact O-N 3.48Å; S34-A214 VanDerWaalsContact OG-CA 3.3Å; S34-A214 WeakPolarHBondContact OG-CA 3.39Å; S34-N215 PolarHBondContact N-O 2.77Å; S34-N215 PolarHBondContact OG-N 2.84Å; S34-N215 VanDerWaalsContact OG-N 3.13Å; S34-N215 PolarHBondContact OG-O 2.73Å
35V97.1Very high95Very high3 Ų316.5 Ų16.52%0.01810%0.095CC..EExtended strand (participates in β ladder)trans-139.3134.1-176.6-170.20000109.5L71 V73 I205 L208 N215 I216 L217V35-L71 CarbonylContact C-O 3.28Å; V35-L71 VanDerWaalsContact CA-O 3.28Å; V35-L71 WeakPolarHBondContact CA-O 2.84Å; V35-L71 WeakPolarHBondContact CG1-O 2.94Å; V35-L71 HydrophobicContact CG2-CB 4.46Å; V35-V73 HydrophobicContact CG1-CG2 3.91Å; V35-I205 HydrophobicContact CG1-CD1 4.3Å; V35-L208 HydrophobicContact CG1-CD1 4.42Å; V35-L208 HydrophobicContact CG2-CD1 3.94Å; V35-N215 PolarHBondContact N-O 2.91Å; V35-N215 VanDerWaalsContact N-O 3.14Å; V35-I216 HydrophobicContact CB-CB 4.42Å; V35-I216 HydrophobicContact CB-CG1 4.05Å; V35-I216 HydrophobicContact CB-CG2 4.29Å; V35-I216 HydrophobicContact CG1-CG2 4.37Å; V35-I216 HydrophobicContact CG2-CG1 4.22Å; V35-I216 WeakPolarHBondContact O-CA 3.24Å; V35-L217 PolarHBondContact O-N 3.3Å
36V97.8Very high94.8Very high2 Ų217.4 Ų17.41%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-122.8132.1173.4-65.30000109.8P62 V70 L71 A72 V73 L217V36-P62 HydrophobicContact CB-CB 4.17Å; V36-P62 HydrophobicContact CG2-CB 3.83Å; V36-V70 HydrophobicContact CG1-CB 4.37Å; V36-V70 HydrophobicContact CG1-CG1 4.3Å; V36-V70 HydrophobicContact CG1-CG2 4.3Å; V36-V70 HydrophobicContact CG2-CB 4.24Å; V36-V70 HydrophobicContact CG2-CG2 3.66Å; V36-L71 PolarHBondContact N-O 3.04Å; V36-A72 HydrophobicContact CG2-CB 4.14Å; V36-A72 CarbonylContact O-C 3.35Å; V36-A72 WeakPolarHBondContact O-CA 3.31Å; V36-V73 PolarHBondContact O-N 3.48Å; V36-L217 CarbonylContact C-O 3.55Å; V36-L217 VanDerWaalsContact CA-O 3.32Å; V36-L217 WeakPolarHBondContact CA-O 3.28Å; V36-L217 HydrophobicContact CG1-CB 4.33Å; V36-L217 HydrophobicContact CG1-CD2 4.48Å
37C98.3Very high94.6Very high0 Ų018 Ų180%011%0.108CC..EExtended strand (participates in β ladder)trans-124.1140.3-172.1-59.90000111.4V73 I205 L217 V218 E219 L250C37-V73 CarbonylContact C-O 3.58Å; C37-V73 VanDerWaalsContact CA-O 3.28Å; C37-V73 WeakPolarHBondContact CA-O 3.33Å; C37-I205 VanDerWaalsContact SG-CD1 3.52Å; C37-L217 PolarHBondContact N-O 3.16Å; C37-V218 HydrophobicContact CB-CG1 4.37Å; C37-V218 HydrophobicContact CB-CG2 4.25Å; C37-E219 PolarHBondContact O-N 2.66Å; C37-L250 HydrophobicContact CB-CD1 4.01Å; C37-L250 HydrophobicContact CB-CD2 3.99Å
38R98Very high94.4Very high2 Ų220.1 Ų20.11%0.00812%0.122CC..EExtended strand (participates in β ladder)trans-111.8132.6163.8-170.7162.8-77.6-170.32.1108.7H47 H59 L61 P62 V73 G75 V78 E219 A221R38-H47 PolarHBondContact NH2-ND1 2.81Å; R38-H47 VanDerWaalsContact NH2-ND1 3.14Å; R38-H59 PolarHBondContact NH1-O 2.7Å; R38-L61 VanDerWaalsContact CZ-O 3.22Å; R38-L61 PolarHBondContact NH1-O 3.4Å; R38-L61 PolarHBondContact NH2-O 2.86Å; R38-P62 HydrophobicContact CB-CB 4.45Å; R38-P62 HydrophobicContact CB-CG 3.99Å; R38-V73 PolarHBondContact N-O 3.12Å; R38-G75 PolarHBondContact O-N 2.98Å; R38-V78 HydrophobicContact CB-CG2 4.49Å; R38-V78 HydrophobicContact CG-CG2 4.19Å; R38-V78 WeakPolarHBondContact O-CG2 3.38Å; R38-E219 IonicContact CZ-OE2 3.17Å; R38-E219 IonicContact NE-OE2 2.84Å; R38-E219 PolarHBondContact NE-OE2 2.82Å; R38-E219 IonicContact NH2-OE1 3.49Å; R38-E219 PolarHBondContact NH2-OE1 3.22Å; R38-E219 IonicContact NH2-OE2 3.38Å; R38-E219 PolarHBondContact NH2-OE2 2.89Å; R38-A221 HydrophobicContact CG-CB 4.1Å
39C97.3Very high94.3Very high0 Ų019 Ų190%012%0.116CC..  trans-117.9-11.6-165.5620000115.2G77 V218 G249 L250C39-G77 CarbonylContact O-C 3.54Å; C39-G77 WeakPolarHBondContact O-CA 3.42Å; C39-V218 HydrophobicContact CB-CG1 4.15Å; C39-G249 WeakPolarHBondContact O-CA 3.37Å; C39-L250 HydrophobicContact CB-CD1 4.18Å; C39-L250 HydrophobicContact CB-CD2 4.2Å; C39-L250 HydrophobicContact CB-CG 3.77Å
40Q97.2Very high94Very high4 Ų421.1 Ų21.12%0.01913%0.129CC..SBendtrans-153.5174.5-174.279-66.669.100111.7G220 A221 N240Q40-G220 VanDerWaalsContact NE2-CA 3.28Å; Q40-A221 HydrophobicContact CG-CB 4.46Å; Q40-A221 VanDerWaalsContact O-CB 3.31Å; Q40-A221 WeakPolarHBondContact O-CB 3.49Å; Q40-N240 WeakPolarHBondContact CG-O 3.32Å
41G96.5Very high93.5Very high0 Ų022 Ų220%014%0.136CC..  trans75.5-157.9177.500000112.2V78 V79 Y144 S239G41-V78 CarbonylContact O-C 3.48Å; G41-V78 WeakPolarHBondContact O-CA 3.32Å; G41-V78 WeakPolarHBondContact O-CG1 3.25Å; G41-V79 PolarHBondContact O-N 2.88Å; G41-Y144 PolarHBondContact N-OH 3.1Å; G41-Y144 PolarHBondContact O-OH 3.45Å; G41-S239 PolarHBondContact N-OG 2.89Å
42G97.3Very high93.1Very high1 Ų120.8 Ų20.81%0.0115%0.154CC..  trans-161-15217300000109.6N44 A45 V79G42-N44 VanDerWaalsContact C-OD1 3.24Å; G42-N44 WeakPolarHBondContact CA-OD1 3.32Å; G42-N44 PolarHBondContact N-OD1 2.83Å; G42-N44 PolarHBondContact O-N 3.17Å; G42-N44 PolarHBondContact O-OD1 2.78Å; G42-N44 VanDerWaalsContact O-OD1 3.07Å; G42-A45 PolarHBondContact O-N 3.31Å; G42-V79 WeakPolarHBondContact CA-O 3.39Å
43N95.9Very high92.8Very high8 Ų820.7 Ų20.74%0.04317%0.166CC..THydrogen-bonded Turntrans-73.214.4-179.266.1-41.5000114.7H59 L60 A84 I140N43-H59 HydrophobicContact CB-CB 4.08Å; N43-L60 HydrophobicContact CB-CD1 4.14Å; N43-L60 HydrophobicContact CB-CD2 4.28Å; N43-L60 HydrophobicContact CB-CG 3.94Å; N43-A84 HydrophobicContact CB-CB 4.36Å; N43-I140 WeakPolarHBondContact OD1-CD1 3.45Å
44N94.1Very high92.5Very high19 Ų1924 Ų2410%0.10218%0.18CC..THydrogen-bonded Turntrans-79.7-27.9165.658.9-48.2000112.9G42 T136 I140 Q222 T237G42-N44 VanDerWaalsContact C-OD1 3.24Å; G42-N44 WeakPolarHBondContact CA-OD1 3.32Å; G42-N44 PolarHBondContact N-OD1 2.83Å; G42-N44 PolarHBondContact O-N 3.17Å; G42-N44 PolarHBondContact O-OD1 2.78Å; G42-N44 VanDerWaalsContact O-OD1 3.07Å; N44-T136 HydrophobicContact CB-CG2 3.76Å; N44-T136 WeakPolarHBondContact CB-OG1 3.48Å; N44-I140 HydrophobicContact CB-CG1 3.71Å; N44-Q222 VanDerWaalsContact ND2-CD 3.29Å; N44-Q222 PolarHBondContact ND2-NE2 3.29Å; N44-Q222 PolarHBondContact ND2-OE1 2.84Å; N44-T237 PolarHBondContact ND2-OG1 3.22Å
45A90.5Very high92.3Very high5 Ų526.6 Ų26.64%0.04119%0.187CC..  trans-71.5163.5172.500000110.7G42 H59 A221 Q222 T298G42-A45 PolarHBondContact O-N 3.31Å; A45-H59 PolarHBondContact O-ND1 2.6Å; A45-A221 HydrophobicContact CB-CB 3.87Å; A45-A221 VanDerWaalsContact CB-O 3.25Å; A45-A221 WeakPolarHBondContact CB-O 3.31Å; A45-Q222 HydrophobicContact CB-CG 4.07Å; A45-T298 PolarHBondContact O-OG1 2.92Å
46G89.8Confident92.1Very high23 Ų2327.1 Ų27.124%0.23719%0.189CC..  trans-161.5116.1176.200000110.9F58G46-F58 WeakPolarHBondContact CA-O 3.34Å
47H91.1Very high91.9Very high13 Ų1329.9 Ų29.96%0.0620%0.201CC..EExtended strand (participates in β ladder)trans-115.7126.2178.9-67.4-178.3000110.2K22 R38 F58 E219 G220 A221K22-H47 WeakPolarHBondContact CE-NE2 3.26Å; R38-H47 PolarHBondContact NH2-ND1 2.81Å; R38-H47 VanDerWaalsContact NH2-ND1 3.14Å; H47-F58 PolarHBondContact N-O 3.42Å; H47-F58 PolarHBondContact O-N 3.29Å; H47-E219 IonicContact CE1-OE1 2.66Å; H47-E219 PolarHBondContact CE1-OE1 2.95Å; H47-E219 VanDerWaalsContact CE1-OE1 3.31Å; H47-E219 IonicContact CG-OE1 2.78Å; H47-E219 IonicContact ND1-OE1 3.31Å; H47-E219 PolarHBondContact ND1-OE1 3.31Å; H47-G220 PolarHBondContact CE1-O 3.09Å; H47-G220 VanDerWaalsContact CE1-O 3.24Å; H47-A221 PolarHBondContact NE2-O 3.25Å; H47-A221 VanDerWaalsContact NE2-O 3.11Å
48T89.4Confident91.7Very high48 Ų4830 Ų3029%0.29420%0.201SC..EExtended strand (participates in β ladder)trans-93.4132.5175.2-57.40000110.2E55 Y56 F57T48-E55 HydrophobicContact CG2-CG 3.61Å; T48-E55 WeakPolarHBondContact CG2-OE1 3.27Å; T48-Y56 WeakPolarHBondContact CA-O 3.47Å; T48-F57 HydrophobicContact CG2-CD1 4.19Å; T48-F57 HydrophobicContact CG2-CE1 3.91Å; T48-F57 WeakPolarHBondContact OG1-CD1 2.99Å
49V90.1Very high91.6Very high3 Ų332.1 Ų32.12%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-131.1135.9172.2178.30000109.2D27 Y56 F58 V66D27-V49 HydrophobicContact CB-CG1 3.87Å; D27-V49 HydrophobicContact CB-CG2 4.47Å; D27-V49 VanDerWaalsContact CG-CG1 3.47Å; D27-V49 WeakPolarHBondContact OD2-CG1 3.26Å; V49-Y56 PolarHBondContact N-O 3.33Å; V49-Y56 PolarHBondContact O-N 2.7Å; V49-F58 HydrophobicContact CB-CE2 4.14Å; V49-F58 HydrophobicContact CG2-CD2 4.25Å; V49-F58 HydrophobicContact CG2-CE2 4.24Å; V49-V66 HydrophobicContact CG1-CG1 4.17Å; V49-V66 HydrophobicContact CG1-CG2 4.18Å
50V87.5Confident91.6Very high66 Ų6632.1 Ų32.140%0.421%0.211SC..EExtended strand (participates in β ladder)trans-108.8113.7175.9-177.90000108.5Q54 E55V50-Q54 CarbonylContact C-O 3.58Å; V50-Q54 VanDerWaalsContact CA-O 3.31Å; V50-Q54 WeakPolarHBondContact CA-O 2.99Å; V50-E55 HydrophobicContact CG2-CG 4.34Å
51A84.6Confident91.6Very high18 Ų1831.9 Ų31.915%0.14921%0.211CC..EExtended strand (participates in β ladder)trans-141.2136.3-178.200000110.5G53 Q54 Y56 V66A51-G53 PolarHBondContact O-N 3.35Å; A51-Q54 PolarHBondContact N-O 2.81Å; A51-Q54 PolarHBondContact O-N 3.28Å; A51-Y56 HydrophobicContact CB-CE2 4.2Å; A51-V66 HydrophobicContact CB-CB 4.41Å
52G81.7Confident91.7Very high88 Ų8831.9 Ų31.991%0.90721%0.211SC*.THydrogen-bonded Turntrans59.228.5178.700000114.5Q54G52-Q54 PolarHBondContact O-N 3.33Å
53G85.2Confident91.6Very high75 Ų7531.9 Ų31.977%0.77321%0.21SC*.THydrogen-bonded Turntrans76.14.5-174.600000114.8A51A51-G53 PolarHBondContact O-N 3.35Å
54Q88.7Confident91.6Very high88 Ų8831.5 Ų31.541%0.41121%0.208SC..EExtended strand (participates in β ladder)trans-108.2146.1178.1-64.6-65.4-22.400111.2V50 A51 G52 Y56V50-Q54 CarbonylContact C-O 3.58Å; V50-Q54 VanDerWaalsContact CA-O 3.31Å; V50-Q54 WeakPolarHBondContact CA-O 2.99Å; A51-Q54 PolarHBondContact N-O 2.81Å; A51-Q54 PolarHBondContact O-N 3.28Å; G52-Q54 PolarHBondContact O-N 3.33Å; Q54-Y56 HydrophobicContact CB-CD2 4.45Å; Q54-Y56 HydrophobicContact CB-CE2 3.67Å
55E90.6Very high91.7Very high92 Ų9230.6 Ų30.643%0.4320%0.203SC..EExtended strand (participates in β ladder)trans-103.2120.8173.8-170.9179.6-163.400110T48 V50 F57 K95T48-E55 HydrophobicContact CG2-CG 3.61Å; T48-E55 WeakPolarHBondContact CG2-OE1 3.27Å; V50-E55 HydrophobicContact CG2-CG 4.34Å; E55-F57 HydrophobicContact CG-CE1 4.05Å; E55-F57 HydrophobicContact CG-CE2 4.13Å; E55-F57 HydrophobicContact CG-CZ 3.69Å; E55-F57 WeakPolarHBondContact OE1-CE1 3.25Å; E55-F57 WeakPolarHBondContact OE1-CZ 3.29Å; E55-F57 WeakPolarHBondContact OE2-CZ 3.48Å; E55-K95 WeakPolarHBondContact O-CD 3.39Å; E55-K95 PolarHBondContact O-NZ 2.87Å
56Y92.8Very high91.9Very high14 Ų1431.1 Ų31.16%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-108.5138.5178.1-57.6-85.7000110.3T48 V49 A51 Q54 F58 V66 A92 K95 L97T48-Y56 WeakPolarHBondContact CA-O 3.47Å; V49-Y56 PolarHBondContact N-O 3.33Å; V49-Y56 PolarHBondContact O-N 2.7Å; A51-Y56 HydrophobicContact CB-CE2 4.2Å; Q54-Y56 HydrophobicContact CB-CD2 4.45Å; Q54-Y56 HydrophobicContact CB-CE2 3.67Å; Y56-F58 HydrophobicContact CD1-CZ 4.3Å; Y56-F58 HydrophobicContact CG-CE2 4.25Å; Y56-F58 AromaticContact CG-CZ 3.92Å; Y56-F58 HydrophobicContact CG-CZ 3.92Å; Y56-V66 HydrophobicContact CD2-CG1 4.03Å; Y56-V66 HydrophobicContact CE2-CG1 4.47Å; Y56-V66 HydrophobicContact CG-CG1 4.39Å; Y56-A92 HydrophobicContact CD1-CB 4.46Å; Y56-K95 HydrophobicContact CD1-CB 4.12Å; Y56-K95 HydrophobicContact CD1-CD 4.12Å; Y56-K95 HydrophobicContact CE1-CB 3.41Å; Y56-K95 VanDerWaalsContact CE1-CB 3.41Å; Y56-K95 HydrophobicContact CE1-CD 4.22Å; Y56-K95 HydrophobicContact CE1-CG 4.49Å; Y56-K95 PolarHBondContact OH-O 3.3Å; Y56-L97 HydrophobicContact CD1-CD1 4.3Å; Y56-L97 HydrophobicContact CD1-CG 4.1Å; Y56-L97 HydrophobicContact CE1-CD1 4.25Å; Y56-L97 HydrophobicContact CE1-CD2 3.87Å; Y56-L97 HydrophobicContact CE1-CG 3.56Å; Y56-L97 HydrophobicContact CE2-CD2 4.21Å
57F92.8Very high92Very high60 Ų6031 Ų3126%0.26320%0.2SC..EExtended strand (participates in β ladder)trans-117.1107.7177.8-58-76000109T48 E55 V297T48-F57 HydrophobicContact CG2-CD1 4.19Å; T48-F57 HydrophobicContact CG2-CE1 3.91Å; T48-F57 WeakPolarHBondContact OG1-CD1 2.99Å; E55-F57 HydrophobicContact CG-CE1 4.05Å; E55-F57 HydrophobicContact CG-CE2 4.13Å; E55-F57 HydrophobicContact CG-CZ 3.69Å; E55-F57 WeakPolarHBondContact OE1-CE1 3.25Å; E55-F57 WeakPolarHBondContact OE1-CZ 3.29Å; E55-F57 WeakPolarHBondContact OE2-CZ 3.48Å; F57-V297 HydrophobicContact CB-CG1 4.3Å; F57-V297 HydrophobicContact CD1-CG1 3.62Å; F57-V297 HydrophobicContact CE1-CG1 4.34Å; F57-V297 HydrophobicContact CG-CG1 4.26Å
58F95.3Very high92.1Very high2 Ų233.9 Ų33.91%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-104.4122.2-174.5-60.8-67000112.3G46 H47 V49 Y56 L61 I65 V66 E88 A92 L97G46-F58 WeakPolarHBondContact CA-O 3.34Å; H47-F58 PolarHBondContact N-O 3.42Å; H47-F58 PolarHBondContact O-N 3.29Å; V49-F58 HydrophobicContact CB-CE2 4.14Å; V49-F58 HydrophobicContact CG2-CD2 4.25Å; V49-F58 HydrophobicContact CG2-CE2 4.24Å; Y56-F58 HydrophobicContact CD1-CZ 4.3Å; Y56-F58 HydrophobicContact CG-CE2 4.25Å; Y56-F58 AromaticContact CG-CZ 3.92Å; Y56-F58 HydrophobicContact CG-CZ 3.92Å; F58-L61 HydrophobicContact CD1-CB 3.81Å; F58-L61 HydrophobicContact CD1-CD1 4.13Å; F58-L61 HydrophobicContact CE1-CB 4.43Å; F58-L61 HydrophobicContact CE1-CD1 4.19Å; F58-I65 HydrophobicContact CD1-CG2 4.46Å; F58-I65 HydrophobicContact CE1-CG2 3.8Å; F58-I65 HydrophobicContact CZ-CG2 3.97Å; F58-V66 HydrophobicContact CE2-CG1 3.55Å; F58-V66 HydrophobicContact CZ-CG1 3.5Å; F58-V66 VanDerWaalsContact CZ-CG1 3.5Å; F58-E88 WeakPolarHBondContact CA-OE1 3.26Å; F58-A92 HydrophobicContact CE1-CB 4.49Å; F58-L97 HydrophobicContact CE1-CD1 4.15Å; F58-L97 HydrophobicContact CZ-CD1 3.97Å
59H95.9Very high92.3Very high47 Ų4738 Ų3822%0.21824%0.24CC..SBendtrans-105.6-49.9-178.9-65.3-67.7000111.4R38 N43 A45 E88 T298R38-H59 PolarHBondContact NH1-O 2.7Å; N43-H59 HydrophobicContact CB-CB 4.08Å; A45-H59 PolarHBondContact O-ND1 2.6Å; H59-E88 VanDerWaalsContact N-CD 3.33Å; H59-E88 PolarHBondContact N-OE1 3.16Å; H59-E88 PolarHBondContact N-OE2 2.7Å; H59-T298 PolarHBondContact CE1-OG1 2.74Å
60L97.6Very high92.5Very high0 Ų038 Ų380%024%0.24CC..SBendtrans-111.7-34.4178.3-69.5167.9000112.2N43 I74 V78 V80 L85 E88N43-L60 HydrophobicContact CB-CD1 4.14Å; N43-L60 HydrophobicContact CB-CD2 4.28Å; N43-L60 HydrophobicContact CB-CG 3.94Å; L60-I74 HydrophobicContact CB-CD1 4.37Å; L60-V78 HydrophobicContact CD2-CG1 4.02Å; L60-V80 HydrophobicContact CD1-CG1 4.4Å; L60-L85 HydrophobicContact CB-CD1 3.92Å; L60-L85 HydrophobicContact CD1-CB 3.77Å; L60-L85 HydrophobicContact CD1-CD1 4.34Å; L60-E88 WeakPolarHBondContact CB-OE2 3.32Å; L60-E88 PolarHBondContact N-OE1 2.86Å; L60-E88 PolarHBondContact N-OE2 2.96Å
61L97.3Very high93Very high0 Ų036.7 Ų36.70%023%0.231CC..SBendtrans-66.5136.6177.8-62.1177.2000109.8R38 F58 S63 I65 L85 E88 I89 V100 L104R38-L61 VanDerWaalsContact CZ-O 3.22Å; R38-L61 PolarHBondContact NH1-O 3.4Å; R38-L61 PolarHBondContact NH2-O 2.86Å; F58-L61 HydrophobicContact CD1-CB 3.81Å; F58-L61 HydrophobicContact CD1-CD1 4.13Å; F58-L61 HydrophobicContact CE1-CB 4.43Å; F58-L61 HydrophobicContact CE1-CD1 4.19Å; L61-S63 PolarHBondContact O-N 2.99Å; L61-I65 HydrophobicContact CB-CG2 4.32Å; L61-I65 HydrophobicContact CD2-CD1 4.32Å; L61-L85 HydrophobicContact CD2-CD1 3.85Å; L61-L85 HydrophobicContact CG-CD1 4.34Å; L61-E88 WeakPolarHBondContact CB-OE1 3.2Å; L61-E88 HydrophobicContact CD1-CG 3.97Å; L61-E88 HydrophobicContact CG-CG 4.13Å; L61-E88 PolarHBondContact N-OE1 2.86Å; L61-I89 HydrophobicContact CD1-CG1 4.18Å; L61-I89 HydrophobicContact CD2-CG1 4.16Å; L61-V100 HydrophobicContact CD1-CG1 4.27Å; L61-L104 HydrophobicContact CD2-CD1 3.93Å; L61-L104 HydrophobicContact CD2-CD2 3.58Å; L61-L104 HydrophobicContact CD2-CG 4.37Å
62P97.3Very high93.6Very high0 Ų035.9 Ų35.90%022%0.223CC..  trans-58.4128.3165.4-19.730.7000109.5V36 R38 G64 I65 A72 E219V36-P62 HydrophobicContact CB-CB 4.17Å; V36-P62 HydrophobicContact CG2-CB 3.83Å; R38-P62 HydrophobicContact CB-CB 4.45Å; R38-P62 HydrophobicContact CB-CG 3.99Å; P62-G64 PolarHBondContact O-N 3.33Å; P62-G64 VanDerWaalsContact O-N 3.16Å; P62-I65 WeakPolarHBondContact O-CB 3.4Å; P62-I65 VanDerWaalsContact O-CG2 3.24Å; P62-I65 WeakPolarHBondContact O-CG2 3.36Å; P62-I65 PolarHBondContact O-N 2.86Å; P62-A72 HydrophobicContact CG-CB 4.13Å; P62-E219 VanDerWaalsContact CA-OE2 3.3Å; P62-E219 WeakPolarHBondContact CA-OE2 3.44Å
63S95.7Very high94.4Very high0 Ų031.7 Ų31.70%018%0.18CC..G310 helixtrans-66.2-25.7-167.8680000113.5V26 L61 I65 V66 E219V26-S63 WeakPolarHBondContact CG1-OG 3.48Å; L61-S63 PolarHBondContact O-N 2.99Å; S63-I65 PolarHBondContact O-N 2.74Å; S63-I65 VanDerWaalsContact O-N 3.09Å; S63-V66 WeakPolarHBondContact O-CG2 3.35Å; S63-E219 VanDerWaalsContact CB-OE1 3.29Å; S63-E219 WeakPolarHBondContact CB-OE1 3.26Å; S63-E219 PolarHBondContact N-OE2 2.84Å; S63-E219 PolarHBondContact OG-OE1 3.42Å
64G95.4Very high95Very high0 Ų028.1 Ų28.10%014%0.143CC..G310 helixtrans-66.3-4.7174.300000114.9P62 V66 N67 V70P62-G64 PolarHBondContact O-N 3.33Å; P62-G64 VanDerWaalsContact O-N 3.16Å; G64-V66 PolarHBondContact O-N 2.81Å; G64-V66 VanDerWaalsContact O-N 3.1Å; G64-N67 WeakPolarHBondContact O-CB 3.41Å; G64-N67 PolarHBondContact O-N 2.79Å; G64-V70 WeakPolarHBondContact O-CG2 3.46Å
65I95.9Very high95.5Very high0 Ų023.9 Ų23.90%012%0.124CC..G310 helixtrans-60.3-17.3175.2-162.1170.3000113.4F58 L61 P62 S63 N67 A72 L97 V100 R103F58-I65 HydrophobicContact CD1-CG2 4.46Å; F58-I65 HydrophobicContact CE1-CG2 3.8Å; F58-I65 HydrophobicContact CZ-CG2 3.97Å; L61-I65 HydrophobicContact CB-CG2 4.32Å; L61-I65 HydrophobicContact CD2-CD1 4.32Å; P62-I65 WeakPolarHBondContact O-CB 3.4Å; P62-I65 VanDerWaalsContact O-CG2 3.24Å; P62-I65 WeakPolarHBondContact O-CG2 3.36Å; P62-I65 PolarHBondContact O-N 2.86Å; S63-I65 PolarHBondContact O-N 2.74Å; S63-I65 VanDerWaalsContact O-N 3.09Å; I65-N67 PolarHBondContact O-N 3.15Å; I65-A72 HydrophobicContact CB-CB 4.18Å; I65-A72 HydrophobicContact CD1-CB 3.6Å; I65-A72 HydrophobicContact CG1-CB 3.88Å; I65-L97 HydrophobicContact CG2-CD1 4.11Å; I65-V100 HydrophobicContact CD1-CG1 3.84Å; I65-R103 PolarHBondContact O-NH1 3.5Å; I65-R103 PolarHBondContact O-NH2 3.03Å
66V94.4Very high95.8Very high16 Ų1620.9 Ų20.910%0.09711%0.111CC..G310 helixtrans-55.7-28.9170.1-63.60000112.6D27 V49 A51 Y56 F58 S63 G64 P68 L97D27-V66 WeakPolarHBondContact OD1-CG2 3.4Å; V49-V66 HydrophobicContact CG1-CG1 4.17Å; V49-V66 HydrophobicContact CG1-CG2 4.18Å; A51-V66 HydrophobicContact CB-CB 4.41Å; Y56-V66 HydrophobicContact CD2-CG1 4.03Å; Y56-V66 HydrophobicContact CE2-CG1 4.47Å; Y56-V66 HydrophobicContact CG-CG1 4.39Å; F58-V66 HydrophobicContact CE2-CG1 3.55Å; F58-V66 HydrophobicContact CZ-CG1 3.5Å; F58-V66 VanDerWaalsContact CZ-CG1 3.5Å; S63-V66 WeakPolarHBondContact O-CG2 3.35Å; G64-V66 PolarHBondContact O-N 2.81Å; G64-V66 VanDerWaalsContact O-N 3.1Å; V66-P68 WeakPolarHBondContact O-CD 3.4Å; V66-L97 HydrophobicContact CB-CD2 4.35Å; V66-L97 HydrophobicContact CG1-CD1 4.32Å; V66-L97 HydrophobicContact CG1-CD2 4.29Å
67N93.3Very high96.1Very high22 Ų2220.6 Ų20.612%0.11811%0.112CC..SBendtrans-72.5117.4168.2-178.3-7.2000108.7S30 G64 I65 N69 V70 R103S30-N67 PolarHBondContact O-ND2 2.78Å; G64-N67 WeakPolarHBondContact O-CB 3.41Å; G64-N67 PolarHBondContact O-N 2.79Å; I65-N67 PolarHBondContact O-N 3.15Å; N67-N69 PolarHBondContact O-N 3.29Å; N67-N69 VanDerWaalsContact O-N 3.11Å; N67-N69 WeakPolarHBondContact OD1-CB 3.29Å; N67-N69 PolarHBondContact OD1-N 3.49Å; N67-V70 HydrophobicContact CB-CG1 3.9Å; N67-V70 HydrophobicContact CB-CG2 4.26Å; N67-V70 VanDerWaalsContact O-CG2 3.32Å; N67-V70 WeakPolarHBondContact O-CG2 3.43Å; N67-V70 PolarHBondContact O-N 2.77Å; N67-R103 PolarHBondContact O-NH1 3.44Å; N67-R103 VanDerWaalsContact O-NH1 3.1Å
68P93Very high96.3Very high73 Ų7317.8 Ų17.847%0.47410%0.1SC..THydrogen-bonded Turntrans-64.4-19.4-177.826.5-35.3000113.1V66 R103V66-P68 WeakPolarHBondContact O-CD 3.4Å; P68-R103 WeakPolarHBondContact O-CD 3.38Å
69N92.8Very high96.5Very high134 Ų13417.8 Ų17.872%0.71710%0.1SC*.THydrogen-bonded Turntrans-88.4-3.4-176.3-60.1-49.7000114N67N67-N69 PolarHBondContact O-N 3.29Å; N67-N69 VanDerWaalsContact O-N 3.11Å; N67-N69 WeakPolarHBondContact OD1-CB 3.29Å; N67-N69 PolarHBondContact OD1-N 3.49Å
70V95.4Very high96.6Very high2 Ų215.5 Ų15.51%0.0129%0.089CC..PPolyproline II helixtrans-94.1143.9-179.2-55.70000112.7C33 S34 V36 G64 N67 R103C33-V70 WeakPolarHBondContact O-CG1 3.01Å; S34-V70 WeakPolarHBondContact O-CA 3.27Å; V36-V70 HydrophobicContact CG1-CB 4.37Å; V36-V70 HydrophobicContact CG1-CG1 4.3Å; V36-V70 HydrophobicContact CG1-CG2 4.3Å; V36-V70 HydrophobicContact CG2-CB 4.24Å; V36-V70 HydrophobicContact CG2-CG2 3.66Å; G64-V70 WeakPolarHBondContact O-CG2 3.46Å; N67-V70 HydrophobicContact CB-CG1 3.9Å; N67-V70 HydrophobicContact CB-CG2 4.26Å; N67-V70 VanDerWaalsContact O-CG2 3.32Å; N67-V70 WeakPolarHBondContact O-CG2 3.43Å; N67-V70 PolarHBondContact O-N 2.77Å; V70-R103 PolarHBondContact O-NH1 2.82Å
71L96.6Very high96.5Very high40 Ų4015.9 Ų15.921%0.2099%0.091CC..EExtended strand (participates in β ladder)trans-83.6121161.2178.366.6000109S34 V35 V36 V73 R103 R105 L204 L208S34-L71 PolarHBondContact O-N 3.48Å; V35-L71 CarbonylContact C-O 3.28Å; V35-L71 VanDerWaalsContact CA-O 3.28Å; V35-L71 WeakPolarHBondContact CA-O 2.84Å; V35-L71 WeakPolarHBondContact CG1-O 2.94Å; V35-L71 HydrophobicContact CG2-CB 4.46Å; V36-L71 PolarHBondContact N-O 3.04Å; L71-V73 HydrophobicContact CD2-CG2 4.47Å; L71-V73 HydrophobicContact CG-CG2 4.27Å; L71-R103 WeakPolarHBondContact CD1-O 3.42Å; L71-R105 HydrophobicContact CD1-CG 3.78Å; L71-L204 HydrophobicContact CD2-CD2 4.46Å; L71-L208 HydrophobicContact CD2-CD1 3.97Å
72A97.8Very high96.3Very high0 Ų017 Ų170%010%0.097CC..EExtended strand (participates in β ladder)trans-91.2134.5174.800000111V36 P62 I65 R103 L104 R105V36-A72 HydrophobicContact CG2-CB 4.14Å; V36-A72 CarbonylContact O-C 3.35Å; V36-A72 WeakPolarHBondContact O-CA 3.31Å; P62-A72 HydrophobicContact CG-CB 4.13Å; I65-A72 HydrophobicContact CB-CB 4.18Å; I65-A72 HydrophobicContact CD1-CB 3.6Å; I65-A72 HydrophobicContact CG1-CB 3.88Å; A72-R103 PolarHBondContact N-O 3.44Å; A72-L104 HydrophobicContact CB-CD1 3.95Å; A72-L104 CarbonylContact O-C 3.59Å; A72-R105 PolarHBondContact O-N 2.81Å
73V98.3Very high96.1Very high0 Ų023.2 Ų23.20%013%0.126CC..EExtended strand (participates in β ladder)trans-127.1124.8179.3-175.20000111V35 V36 C37 R38 L71 R105 L204 I205V35-V73 HydrophobicContact CG1-CG2 3.91Å; V36-V73 PolarHBondContact O-N 3.48Å; C37-V73 CarbonylContact C-O 3.58Å; C37-V73 VanDerWaalsContact CA-O 3.28Å; C37-V73 WeakPolarHBondContact CA-O 3.33Å; R38-V73 PolarHBondContact N-O 3.12Å; L71-V73 HydrophobicContact CD2-CG2 4.47Å; L71-V73 HydrophobicContact CG-CG2 4.27Å; V73-R105 CarbonylContact C-O 3.47Å; V73-R105 VanDerWaalsContact CA-O 3.31Å; V73-R105 WeakPolarHBondContact CA-O 3.46Å; V73-R105 HydrophobicContact CG2-CB 4.37Å; V73-L204 HydrophobicContact CG2-CD2 4.27Å; V73-I205 HydrophobicContact CB-CD1 4.3Å; V73-I205 HydrophobicContact CG1-CD1 4.17Å; V73-I205 HydrophobicContact CG1-CG1 4.34Å; V73-I205 HydrophobicContact CG2-CD1 4.05Å
74I98.5Very high96Very high0 Ų024.3 Ų24.30%014%0.135CC..EExtended strand (participates in β ladder)trans-95.9111168-63.1178.5000107.8L60 V78 V80 L85 L104 R105 I106 S107L60-I74 HydrophobicContact CB-CD1 4.37Å; I74-V78 HydrophobicContact CG2-CB 3.67Å; I74-V78 HydrophobicContact CG2-CG1 3.78Å; I74-V78 HydrophobicContact CG2-CG2 3.9Å; I74-V80 HydrophobicContact CG2-CG2 4Å; I74-L85 HydrophobicContact CD1-CD1 4.08Å; I74-L104 HydrophobicContact CD1-CD1 4.12Å; I74-L104 HydrophobicContact CG1-CD1 4.12Å; I74-R105 PolarHBondContact N-O 2.84Å; I74-I106 HydrophobicContact CD1-CG1 4.4Å; I74-S107 WeakPolarHBondContact O-CB 3.32Å; I74-S107 PolarHBondContact O-N 2.86Å
75G98.4Very high96Very high0 Ų024.3 Ų24.30%014%0.135CC..  trans-75.6162.2-176.700000114.2R38 G77 V78 C110 G249R38-G75 PolarHBondContact O-N 2.98Å; G75-G77 PolarHBondContact O-N 2.78Å; G75-G77 VanDerWaalsContact O-N 3.08Å; G75-V78 WeakPolarHBondContact O-CB 3.22Å; G75-V78 PolarHBondContact O-N 3.42Å; G75-C110 PolarHBondContact O-SG 3.27Å; G75-G249 CarbonylContact C-O 3.52Å; G75-G249 VanDerWaalsContact C-O 3.28Å; G75-G249 WeakPolarHBondContact CA-O 3.32Å
76N98.1Very high95.9Very high28 Ų2826.4 Ų26.415%0.1514%0.144CC..THydrogen-bonded Turntrans-61.8-19.2-177.166.4-88.1000114.6V78 S107 R109 T248 G249N76-V78 VanDerWaalsContact C-N 3.27Å; N76-S107 WeakPolarHBondContact CB-OG 3.47Å; N76-R109 HydrophobicContact CB-CB 3.69Å; N76-T248 PolarHBondContact ND2-O 3.09Å; N76-G249 PolarHBondContact N-O 3.16Å; N76-G249 VanDerWaalsContact OD1-C 3.25Å; N76-G249 PolarHBondContact OD1-O 2.84Å
77G97.9Very high95.9Very high8 Ų831 Ų318%0.08216%0.164CC..THydrogen-bonded Turntrans-76.1-15.3176.400000113.6C39 G75 Y144 G249C39-G77 CarbonylContact O-C 3.54Å; C39-G77 WeakPolarHBondContact O-CA 3.42Å; G75-G77 PolarHBondContact O-N 2.78Å; G75-G77 VanDerWaalsContact O-N 3.08Å; G77-Y144 PolarHBondContact O-OH 3.14Å; G77-G249 PolarHBondContact N-O 3.31Å; G77-G249 VanDerWaalsContact N-O 3.09Å
78V98.6Very high96.1Very high1 Ų130.3 Ų30.31%0.00616%0.161CC..SBendtrans-79.7138.4176.5-174.40000110.4R38 G41 L60 I74 G75 N76 V80R38-V78 HydrophobicContact CB-CG2 4.49Å; R38-V78 HydrophobicContact CG-CG2 4.19Å; R38-V78 WeakPolarHBondContact O-CG2 3.38Å; G41-V78 CarbonylContact O-C 3.48Å; G41-V78 WeakPolarHBondContact O-CA 3.32Å; G41-V78 WeakPolarHBondContact O-CG1 3.25Å; L60-V78 HydrophobicContact CD2-CG1 4.02Å; I74-V78 HydrophobicContact CG2-CB 3.67Å; I74-V78 HydrophobicContact CG2-CG1 3.78Å; I74-V78 HydrophobicContact CG2-CG2 3.9Å; G75-V78 WeakPolarHBondContact O-CB 3.22Å; G75-V78 PolarHBondContact O-N 3.42Å; N76-V78 VanDerWaalsContact C-N 3.27Å; V78-V80 HydrophobicContact CG1-CG2 4.14Å
79V98.5Very high96.2Very high2 Ų227 Ų271%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-96.4131.5166.3-56.10000109.6G41 G42 H111 V113 I140 T143 Y144G41-V79 PolarHBondContact O-N 2.88Å; G42-V79 WeakPolarHBondContact CA-O 3.39Å; V79-H111 CarbonylContact C-O 3.54Å; V79-H111 WeakPolarHBondContact CA-O 3.45Å; V79-H111 HydrophobicContact CG1-CB 4.16Å; V79-V113 HydrophobicContact CB-CG2 3.76Å; V79-V113 HydrophobicContact CG2-CG2 3.69Å; V79-I140 HydrophobicContact CG2-CD1 3.74Å; V79-I140 HydrophobicContact CG2-CG2 4.06Å; V79-T143 HydrophobicContact CB-CG2 3.86Å; V79-T143 HydrophobicContact CG1-CG2 3.79Å; V79-Y144 HydrophobicContact CB-CE2 4.39Å; V79-Y144 HydrophobicContact CG1-CD1 4.36Å; V79-Y144 HydrophobicContact CG1-CD2 3.87Å; V79-Y144 HydrophobicContact CG1-CE1 4.1Å; V79-Y144 HydrophobicContact CG1-CE2 3.61Å; V79-Y144 HydrophobicContact CG1-CG 4.24Å; V79-Y144 HydrophobicContact CG2-CD2 4.28Å; V79-Y144 HydrophobicContact CG2-CE2 3.83Å
80V97Very high96.3Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-117.5119.7-166.8179.40000110.2L60 I74 V78 L82 L85 C110 H111 L112 V113L60-V80 HydrophobicContact CD1-CG1 4.4Å; I74-V80 HydrophobicContact CG2-CG2 4Å; V78-V80 HydrophobicContact CG1-CG2 4.14Å; V80-L82 HydrophobicContact CG1-CD2 4Å; V80-L85 HydrophobicContact CG1-CB 4.47Å; V80-L85 HydrophobicContact CG1-CD2 4.01Å; V80-C110 HydrophobicContact CG2-CB 3.86Å; V80-H111 PolarHBondContact N-O 3.09Å; V80-L112 WeakPolarHBondContact O-CA 3.38Å; V80-V113 PolarHBondContact O-N 2.95Å
81N95.5Very high96.4Very high8 Ų829.5 Ų29.54%0.04315%0.15CC..  trans-88.9116.8161.6-177.3-67.5000107.8Q83 A84 L85 V113N81-Q83 PolarHBondContact OD1-N 2.89Å; N81-A84 HydrophobicContact CB-CB 3.94Å; N81-A84 WeakPolarHBondContact OD1-CB 3.24Å; N81-A84 PolarHBondContact OD1-N 2.91Å; N81-L85 WeakPolarHBondContact O-CB 3.46Å; N81-L85 PolarHBondContact O-N 3.06Å; N81-V113 HydrophobicContact CB-CB 3.88Å; N81-V113 HydrophobicContact CB-CG1 4.27Å; N81-V113 PolarHBondContact ND2-O 3.44Å
82L93.9Very high96.3Very high22 Ų2227.8 Ų27.812%0.11514%0.141CC..Hα-helixtrans-68.2-42.1-173.6-67.8176.9000112.7V80 A84 L85 F86 L112 L158 L194V80-L82 HydrophobicContact CG1-CD2 4Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 2.85Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 3.12Å; L82-L85 VanDerWaalsContact O-N 3.17Å; L82-F86 HydrophobicContact CB-CE2 4.18Å; L82-F86 WeakPolarHBondContact O-CD2 3.36Å; L82-F86 WeakPolarHBondContact O-CG 3.45Å; L82-F86 PolarHBondContact O-N 3.26Å; L82-L112 HydrophobicContact CD1-CD2 3.97Å; L82-L112 HydrophobicContact CD2-CD2 4.3Å; L82-L112 HydrophobicContact CG-CD2 3.97Å; L82-L158 HydrophobicContact CD1-CD2 3.43Å; L82-L158 VanDerWaalsContact CD1-CD2 3.43Å; L82-L194 HydrophobicContact CD2-CD1 4.39Å; L82-L194 HydrophobicContact CD2-CD2 4.04Å
83Q92.6Very high96.2Very high132 Ų13231.1 Ų31.162%0.61716%0.161SC*.Hα-helixtrans-60.7-45.3177.8-173.1-177.916.200111.2N81 L85 F86 Q87N81-Q83 PolarHBondContact OD1-N 2.89Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.76Å; Q83-F86 PolarHBondContact O-N 2.93Å; Q83-Q87 WeakPolarHBondContact O-CB 3.37Å; Q83-Q87 PolarHBondContact O-N 3.16Å
84A94.4Very high96.1Very high22 Ų2236.6 Ų36.618%0.18220%0.198CC..Hα-helixtrans-64.3-37.3176.400000112N43 N81 L82 E88N43-A84 HydrophobicContact CB-CB 4.36Å; N81-A84 HydrophobicContact CB-CB 3.94Å; N81-A84 WeakPolarHBondContact OD1-CB 3.24Å; N81-A84 PolarHBondContact OD1-N 2.91Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 2.85Å; A84-E88 VanDerWaalsContact O-CB 3.28Å; A84-E88 WeakPolarHBondContact O-CB 3.43Å; A84-E88 PolarHBondContact O-N 3.18Å
85L95.4Very high95.9Very high0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-64.8-46.1176.1179.661.3000111.6L60 L61 I74 V80 N81 L82 Q83 E88 I89 L104 I106L60-L85 HydrophobicContact CB-CD1 3.92Å; L60-L85 HydrophobicContact CD1-CB 3.77Å; L60-L85 HydrophobicContact CD1-CD1 4.34Å; L61-L85 HydrophobicContact CD2-CD1 3.85Å; L61-L85 HydrophobicContact CG-CD1 4.34Å; I74-L85 HydrophobicContact CD1-CD1 4.08Å; V80-L85 HydrophobicContact CG1-CB 4.47Å; V80-L85 HydrophobicContact CG1-CD2 4.01Å; N81-L85 WeakPolarHBondContact O-CB 3.46Å; N81-L85 PolarHBondContact O-N 3.06Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 3.12Å; L82-L85 VanDerWaalsContact O-N 3.17Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.76Å; L85-E88 PolarHBondContact O-N 3.32Å; L85-I89 HydrophobicContact CD1-CD1 4.15Å; L85-I89 HydrophobicContact CD1-CG1 4.41Å; L85-I89 HydrophobicContact CG-CD1 3.97Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.34Å; L85-I89 PolarHBondContact O-N 3.24Å; L85-L104 HydrophobicContact CD1-CD2 4.3Å; L85-I106 HydrophobicContact CD2-CD1 3.55Å; L85-I106 HydrophobicContact CD2-CG1 4.4Å
86F94.2Very high95.6Very high45 Ų4541.8 Ų41.820%0.19723%0.234CC..Hα-helixtrans-65.3-43.5178.9-65-43.2000111.6L82 Q83 E88 I89 D90 E192 L194 M197L82-F86 HydrophobicContact CB-CE2 4.18Å; L82-F86 WeakPolarHBondContact O-CD2 3.36Å; L82-F86 WeakPolarHBondContact O-CG 3.45Å; L82-F86 PolarHBondContact O-N 3.26Å; Q83-F86 PolarHBondContact O-N 2.93Å; F86-E88 VanDerWaalsContact C-N 3.32Å; F86-E88 PolarHBondContact O-N 3.08Å; F86-I89 HydrophobicContact CD1-CD1 4.48Å; F86-I89 PolarHBondContact O-N 3.31Å; F86-D90 PolarHBondContact O-N 3.17Å; F86-E192 VanDerWaalsContact CD2-OE2 3.28Å; F86-E192 WeakPolarHBondContact CD2-OE2 3.43Å; F86-E192 HydrophobicContact CE2-CB 4.38Å; F86-E192 WeakPolarHBondContact CE2-OE2 3.47Å; F86-L194 HydrophobicContact CE1-CD1 3.79Å; F86-L194 HydrophobicContact CZ-CD1 3.61Å; F86-M197 HydrophobicContact CE1-CE 3.86Å
87Q94.6Very high95.4Very high111 Ų11141 Ų4152%0.51923%0.229SC..Hα-helixtrans-57.5-45.3173.5-176.5-178.3-6.100111.7Q83 I89 D90 E91Q83-Q87 WeakPolarHBondContact O-CB 3.37Å; Q83-Q87 PolarHBondContact O-N 3.16Å; Q87-I89 VanDerWaalsContact C-N 3.33Å; Q87-I89 PolarHBondContact O-N 2.8Å; Q87-D90 PolarHBondContact O-N 3.12Å; Q87-E91 HydrophobicContact CG-CG 4.45Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.46Å; Q87-E91 PolarHBondContact NE2-OE1 3.32Å; Q87-E91 WeakPolarHBondContact O-CB 3.47Å; Q87-E91 WeakPolarHBondContact O-CG 3.39Å; Q87-E91 PolarHBondContact O-N 3.11Å
88E95.9Very high94.9Very high8 Ų846.2 Ų46.24%0.03726%0.255CS..Hα-helixtrans-62.6-39.2177.7-175.6-178.8171.700112.2F58 H59 L60 L61 A84 L85 F86 A92F58-E88 WeakPolarHBondContact CA-OE1 3.26Å; H59-E88 VanDerWaalsContact N-CD 3.33Å; H59-E88 PolarHBondContact N-OE1 3.16Å; H59-E88 PolarHBondContact N-OE2 2.7Å; L60-E88 WeakPolarHBondContact CB-OE2 3.32Å; L60-E88 PolarHBondContact N-OE1 2.86Å; L60-E88 PolarHBondContact N-OE2 2.96Å; L61-E88 WeakPolarHBondContact CB-OE1 3.2Å; L61-E88 HydrophobicContact CD1-CG 3.97Å; L61-E88 HydrophobicContact CG-CG 4.13Å; L61-E88 PolarHBondContact N-OE1 2.86Å; A84-E88 VanDerWaalsContact O-CB 3.28Å; A84-E88 WeakPolarHBondContact O-CB 3.43Å; A84-E88 PolarHBondContact O-N 3.18Å; L85-E88 PolarHBondContact O-N 3.32Å; F86-E88 VanDerWaalsContact C-N 3.32Å; F86-E88 PolarHBondContact O-N 3.08Å; E88-A92 VanDerWaalsContact O-CB 3.3Å; E88-A92 WeakPolarHBondContact O-CB 3.35Å; E88-A92 PolarHBondContact O-N 3.16Å; E88-A92 VanDerWaalsContact O-N 3.08Å
89I95.7Very high94.5Very high4 Ų451.6 Ų51.62%0.02128%0.284CS..Hα-helixtrans-63.9-49.6174.8-70.2166.6000110.4L61 L85 F86 Q87 E91 A92 V93 V100 L104 M197L61-I89 HydrophobicContact CD1-CG1 4.18Å; L61-I89 HydrophobicContact CD2-CG1 4.16Å; L85-I89 HydrophobicContact CD1-CD1 4.15Å; L85-I89 HydrophobicContact CD1-CG1 4.41Å; L85-I89 HydrophobicContact CG-CD1 3.97Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.34Å; L85-I89 PolarHBondContact O-N 3.24Å; F86-I89 HydrophobicContact CD1-CD1 4.48Å; F86-I89 PolarHBondContact O-N 3.31Å; Q87-I89 VanDerWaalsContact C-N 3.33Å; Q87-I89 PolarHBondContact O-N 2.8Å; I89-E91 PolarHBondContact O-N 2.87Å; I89-A92 PolarHBondContact O-N 3.13Å; I89-V93 HydrophobicContact CG2-CG2 4.34Å; I89-V93 WeakPolarHBondContact O-CG2 3.35Å; I89-V93 PolarHBondContact O-N 3.32Å; I89-V100 HydrophobicContact CB-CG1 4.35Å; I89-V100 HydrophobicContact CG1-CG1 3.93Å; I89-V100 HydrophobicContact CG2-CB 4.23Å; I89-V100 HydrophobicContact CG2-CG1 3.89Å; I89-L104 HydrophobicContact CD1-CD2 3.83Å; I89-M197 HydrophobicContact CD1-CE 4.39Å; I89-M197 HydrophobicContact CD1-SD 4.27Å
90D95.5Very high94.3Very high102 Ų10251.6 Ų51.655%0.54528%0.283SS..Hα-helixtrans-62.2-43.6-178.1-70.4-20000111.4F86 Q87 A92 V93 C94F86-D90 PolarHBondContact O-N 3.17Å; Q87-D90 PolarHBondContact O-N 3.12Å; D90-A92 VanDerWaalsContact C-N 3.34Å; D90-A92 PolarHBondContact O-N 2.82Å; D90-V93 PolarHBondContact O-N 3.22Å; D90-C94 WeakPolarHBondContact O-CB 3.48Å; D90-C94 PolarHBondContact O-N 3.1Å; D90-C94 PolarHBondContact O-SG 2.83Å
91E96.1Very high94Very high87 Ų8754.3 Ų54.341%0.40730%0.303SS..Hα-helixtrans-61.7-41.7175.8-75.2178.9-163.100111.8Q87 I89 K95Q87-E91 HydrophobicContact CG-CG 4.45Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.46Å; Q87-E91 PolarHBondContact NE2-OE1 3.32Å; Q87-E91 WeakPolarHBondContact O-CB 3.47Å; Q87-E91 WeakPolarHBondContact O-CG 3.39Å; Q87-E91 PolarHBondContact O-N 3.11Å; I89-E91 PolarHBondContact O-N 2.87Å; E91-K95 WeakPolarHBondContact O-CG 2.92Å; E91-K95 PolarHBondContact O-N 3.47Å
92A95.4Very high93.9Very high4 Ų457.3 Ų57.33%0.03332%0.324CS..Hα-helixtrans-67.9-40.5178.600000112.2Y56 F58 E88 I89 D90 K95 G96 L97Y56-A92 HydrophobicContact CD1-CB 4.46Å; F58-A92 HydrophobicContact CE1-CB 4.49Å; E88-A92 VanDerWaalsContact O-CB 3.3Å; E88-A92 WeakPolarHBondContact O-CB 3.35Å; E88-A92 PolarHBondContact O-N 3.16Å; E88-A92 VanDerWaalsContact O-N 3.08Å; I89-A92 PolarHBondContact O-N 3.13Å; D90-A92 VanDerWaalsContact C-N 3.34Å; D90-A92 PolarHBondContact O-N 2.82Å; A92-K95 PolarHBondContact O-N 2.79Å; A92-G96 PolarHBondContact O-N 2.74Å; A92-L97 HydrophobicContact CB-CB 4.36Å; A92-L97 HydrophobicContact CB-CD1 3.89Å; A92-L97 HydrophobicContact CB-CG 4.22Å; A92-L97 WeakPolarHBondContact O-CB 3.04Å; A92-L97 PolarHBondContact O-N 3.24Å
93V95.5Very high94Very high70 Ų7057.8 Ų57.842%0.42432%0.324SS..Hα-helixtrans-65.8-43.8175.8171.70000111.1I89 D90 K95 G96 L97 V100I89-V93 HydrophobicContact CG2-CG2 4.34Å; I89-V93 WeakPolarHBondContact O-CG2 3.35Å; I89-V93 PolarHBondContact O-N 3.32Å; D90-V93 PolarHBondContact O-N 3.22Å; V93-K95 PolarHBondContact O-N 3Å; V93-G96 PolarHBondContact O-N 3.31Å; V93-L97 WeakPolarHBondContact CA-O 3.42Å; V93-V100 HydrophobicContact CG2-CB 4.12Å; V93-V100 HydrophobicContact CG2-CG2 3.85Å
94C95.5Very high94.2Very high114 Ų11451.5 Ų51.577%0.7730%0.295SS*.Hα-helixtrans-59-32.2175.6-70.60000112.7D90 G96D90-C94 WeakPolarHBondContact O-CB 3.48Å; D90-C94 PolarHBondContact O-N 3.1Å; D90-C94 PolarHBondContact O-SG 2.83Å; C94-G96 VanDerWaalsContact C-N 3.29Å
95K95Very high94.4Very high65 Ų6553.9 Ų53.928%0.28330%0.299SS..THydrogen-bonded Turntrans-83.83.2174.8-72.3175.9177.7179.30113.8E55 Y56 E91 A92 V93E55-K95 WeakPolarHBondContact O-CD 3.39Å; E55-K95 PolarHBondContact O-NZ 2.87Å; Y56-K95 HydrophobicContact CD1-CB 4.12Å; Y56-K95 HydrophobicContact CD1-CD 4.12Å; Y56-K95 HydrophobicContact CE1-CB 3.41Å; Y56-K95 VanDerWaalsContact CE1-CB 3.41Å; Y56-K95 HydrophobicContact CE1-CD 4.22Å; Y56-K95 HydrophobicContact CE1-CG 4.49Å; Y56-K95 PolarHBondContact OH-O 3.3Å; E91-K95 WeakPolarHBondContact O-CG 2.92Å; E91-K95 PolarHBondContact O-N 3.47Å; A92-K95 PolarHBondContact O-N 2.79Å; V93-K95 PolarHBondContact O-N 3Å
96G92.1Very high94.5Very high45 Ų4553.9 Ų53.946%0.46430%0.299SS..THydrogen-bonded Turntrans102.87.5172.400000116.3A92 V93 C94 L98A92-G96 PolarHBondContact O-N 2.74Å; V93-G96 PolarHBondContact O-N 3.31Å; C94-G96 VanDerWaalsContact C-N 3.29Å; G96-L98 PolarHBondContact O-N 3.13Å
97L93.2Very high94.7Very high11 Ų1151.8 Ų51.86%0.05829%0.29CS..  trans-71124168.8-66.2-162.4000110.6Y56 F58 I65 V66 A92 V93 V100Y56-L97 HydrophobicContact CD1-CD1 4.3Å; Y56-L97 HydrophobicContact CD1-CG 4.1Å; Y56-L97 HydrophobicContact CE1-CD1 4.25Å; Y56-L97 HydrophobicContact CE1-CD2 3.87Å; Y56-L97 HydrophobicContact CE1-CG 3.56Å; Y56-L97 HydrophobicContact CE2-CD2 4.21Å; F58-L97 HydrophobicContact CE1-CD1 4.15Å; F58-L97 HydrophobicContact CZ-CD1 3.97Å; I65-L97 HydrophobicContact CG2-CD1 4.11Å; V66-L97 HydrophobicContact CB-CD2 4.35Å; V66-L97 HydrophobicContact CG1-CD1 4.32Å; V66-L97 HydrophobicContact CG1-CD2 4.29Å; A92-L97 HydrophobicContact CB-CB 4.36Å; A92-L97 HydrophobicContact CB-CD1 3.89Å; A92-L97 HydrophobicContact CB-CG 4.22Å; A92-L97 WeakPolarHBondContact O-CB 3.04Å; A92-L97 PolarHBondContact O-N 3.24Å; V93-L97 WeakPolarHBondContact CA-O 3.42Å; L97-V100 HydrophobicContact CB-CG2 3.65Å; L97-V100 HydrophobicContact CD1-CG2 4.42Å
98L88.2Confident94.9Very high117 Ų11748.1 Ų48.161%0.61327%0.274SS*.  trans-87.2144.7-178.4-54.2-179.9000111.5G96 V100 R103G96-L98 PolarHBondContact O-N 3.13Å; L98-V100 PolarHBondContact O-N 3.43Å; L98-R103 PolarHBondContact O-NE 2.8Å; L98-R103 PolarHBondContact O-NH2 2.89Å
99D90.5Very high95Very high115 Ų11551.6 Ų51.662%0.61529%0.287SS*.SBendtrans54.827.8163.9-55.2-45.8000115.4S101 S102 R103D99-S101 PolarHBondContact O-N 3.17Å; D99-S102 WeakPolarHBondContact CB-OG 3.22Å; D99-S102 PolarHBondContact O-N 3.04Å; D99-S102 PolarHBondContact O-OG 3.35Å; D99-R103 PolarHBondContact O-N 2.94Å
100V93.9Very high95.1Very high1 Ų151.4 Ų51.41%0.00629%0.286CS..Hα-helixtrans-50.5-52.5-173.6173.80000111.5L61 I65 I89 V93 L97 L98 S102 R103 L104L61-V100 HydrophobicContact CD1-CG1 4.27Å; I65-V100 HydrophobicContact CD1-CG1 3.84Å; I89-V100 HydrophobicContact CB-CG1 4.35Å; I89-V100 HydrophobicContact CG1-CG1 3.93Å; I89-V100 HydrophobicContact CG2-CB 4.23Å; I89-V100 HydrophobicContact CG2-CG1 3.89Å; V93-V100 HydrophobicContact CG2-CB 4.12Å; V93-V100 HydrophobicContact CG2-CG2 3.85Å; L97-V100 HydrophobicContact CB-CG2 3.65Å; L97-V100 HydrophobicContact CD1-CG2 4.42Å; L98-V100 PolarHBondContact O-N 3.43Å; V100-S102 VanDerWaalsContact C-N 3.28Å; V100-S102 PolarHBondContact O-N 3.49Å; V100-R103 CarbonylContact O-C 3.51Å; V100-R103 PolarHBondContact O-N 2.88Å; V100-R103 VanDerWaalsContact O-N 3.13Å; V100-L104 WeakPolarHBondContact O-CB 3.15Å; V100-L104 PolarHBondContact O-N 2.76Å
101S92Very high95.2Very high58 Ų5847.7 Ų47.741%0.40627%0.265SS..Hα-helixtrans-63.2-31.3-178.4-52.60000113.3D99 R103 M197D99-S101 PolarHBondContact O-N 3.17Å; S101-R103 VanDerWaalsContact C-N 3.33Å; S101-M197 VanDerWaalsContact O-CG 3.3Å; S101-M197 WeakPolarHBondContact O-CG 3.01Å
102S93.2Very high95.2Very high71 Ų7143.7 Ų43.750%0.49725%0.246SC..Hα-helixtrans-74.3-27178.881.80000112.5D99 V100 R105D99-S102 WeakPolarHBondContact CB-OG 3.22Å; D99-S102 PolarHBondContact O-N 3.04Å; D99-S102 PolarHBondContact O-OG 3.35Å; V100-S102 VanDerWaalsContact C-N 3.28Å; V100-S102 PolarHBondContact O-N 3.49Å; S102-R105 PolarHBondContact O-NH1 3.23Å; S102-R105 PolarHBondContact O-NH2 3.43Å
103R95.5Very high95.3Very high31 Ų3143.8 Ų43.812%0.11725%0.247CC..Hα-helixtrans-101.61.4-178.3-60.2-175.8-60.8114.4-5.5113.7I65 N67 P68 V70 L71 A72 L98 D99 V100 S101I65-R103 PolarHBondContact O-NH1 3.5Å; I65-R103 PolarHBondContact O-NH2 3.03Å; N67-R103 PolarHBondContact O-NH1 3.44Å; N67-R103 VanDerWaalsContact O-NH1 3.1Å; P68-R103 WeakPolarHBondContact O-CD 3.38Å; V70-R103 PolarHBondContact O-NH1 2.82Å; L71-R103 WeakPolarHBondContact CD1-O 3.42Å; A72-R103 PolarHBondContact N-O 3.44Å; L98-R103 PolarHBondContact O-NE 2.8Å; L98-R103 PolarHBondContact O-NH2 2.89Å; D99-R103 PolarHBondContact O-N 2.94Å; V100-R103 CarbonylContact O-C 3.51Å; V100-R103 PolarHBondContact O-N 2.88Å; V100-R103 VanDerWaalsContact O-N 3.13Å; S101-R103 VanDerWaalsContact C-N 3.33Å
104L97.5Very high95.2Very high0 Ų041.1 Ų41.10%023%0.229CC..EExtended strand (participates in β ladder)trans-98.6133176.8-178.261.2000111.2L61 A72 I74 L85 I89 V100 I106 M197L61-L104 HydrophobicContact CD2-CD1 3.93Å; L61-L104 HydrophobicContact CD2-CD2 3.58Å; L61-L104 HydrophobicContact CD2-CG 4.37Å; A72-L104 HydrophobicContact CB-CD1 3.95Å; A72-L104 CarbonylContact O-C 3.59Å; I74-L104 HydrophobicContact CD1-CD1 4.12Å; I74-L104 HydrophobicContact CG1-CD1 4.12Å; L85-L104 HydrophobicContact CD1-CD2 4.3Å; I89-L104 HydrophobicContact CD1-CD2 3.83Å; V100-L104 WeakPolarHBondContact O-CB 3.15Å; V100-L104 PolarHBondContact O-N 2.76Å; L104-I106 HydrophobicContact CD2-CD1 4.3Å; L104-I106 HydrophobicContact CD2-CG1 4.33Å; L104-I106 HydrophobicContact CG-CG1 4.2Å; L104-M197 HydrophobicContact CB-SD 4.09Å; L104-M197 HydrophobicContact CD2-SD 3.78Å; L104-M197 HydrophobicContact CG-SD 4.22Å
105R97.8Very high95.1Very high73 Ų7337.8 Ų37.828%0.27520%0.204SC..EExtended strand (participates in β ladder)trans-124127.4171.7-65.1-63.5176.8-79.9-4.8110.7L71 A72 V73 I74 S102 M197 L204L71-R105 HydrophobicContact CD1-CG 3.78Å; A72-R105 PolarHBondContact O-N 2.81Å; V73-R105 CarbonylContact C-O 3.47Å; V73-R105 VanDerWaalsContact CA-O 3.31Å; V73-R105 WeakPolarHBondContact CA-O 3.46Å; V73-R105 HydrophobicContact CG2-CB 4.37Å; I74-R105 PolarHBondContact N-O 2.84Å; S102-R105 PolarHBondContact O-NH1 3.23Å; S102-R105 PolarHBondContact O-NH2 3.43Å; R105-M197 CarbonylContact C-O 3.56Å; R105-M197 VanDerWaalsContact CA-O 3.26Å; R105-M197 WeakPolarHBondContact CA-O 3.3Å; R105-L204 HydrophobicContact CB-CD2 4.04Å; R105-L204 HydrophobicContact CG-CD2 4.04Å
106I98Very high95Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-112131.7-178-55.7161.8000107.8I74 L85 L104 D108 V155 L194 M197 V198 C199I74-I106 HydrophobicContact CD1-CG1 4.4Å; L85-I106 HydrophobicContact CD2-CD1 3.55Å; L85-I106 HydrophobicContact CD2-CG1 4.4Å; L104-I106 HydrophobicContact CD2-CD1 4.3Å; L104-I106 HydrophobicContact CD2-CG1 4.33Å; L104-I106 HydrophobicContact CG-CG1 4.2Å; I106-D108 PolarHBondContact O-N 3.27Å; I106-V155 HydrophobicContact CG2-CG2 4.4Å; I106-L194 HydrophobicContact CD1-CD1 4.21Å; I106-L194 HydrophobicContact CD1-CD2 3.86Å; I106-M197 HydrophobicContact CD1-CB 3.92Å; I106-M197 HydrophobicContact CG1-CB 4.38Å; I106-M197 PolarHBondContact N-O 2.8Å; I106-V198 WeakPolarHBondContact O-CA 3.26Å; I106-C199 PolarHBondContact O-N 2.97Å
107S98.3Very high95.2Very high0 Ų032.7 Ų32.70%017%0.169CC..EExtended strand (participates in β ladder)trans-61.9128.8174.8-168.80000110.9I74 N76 R109 C110 S201I74-S107 WeakPolarHBondContact O-CB 3.32Å; I74-S107 PolarHBondContact O-N 2.86Å; N76-S107 WeakPolarHBondContact CB-OG 3.47Å; S107-R109 PolarHBondContact O-N 3.03Å; S107-R109 PolarHBondContact OG-N 2.79Å; S107-C110 WeakPolarHBondContact O-CB 3.37Å; S107-C110 PolarHBondContact O-N 2.79Å; S107-C110 VanDerWaalsContact O-N 3.11Å; S107-S201 WeakPolarHBondContact CB-OG 3.12Å; S107-S201 PolarHBondContact OG-OG 2.84Å
108D97.3Very high95.2Very high35 Ų3533.3 Ų33.319%0.18717%0.172CC..THydrogen-bonded Turntrans-56.9-17.2167.366.3-11.3000113.2I106 C156 V198 C199I106-D108 PolarHBondContact O-N 3.27Å; D108-C156 HydrophobicContact CB-CB 4.16Å; D108-C156 VanDerWaalsContact O-CB 3.26Å; D108-C156 WeakPolarHBondContact O-CB 3.45Å; D108-C156 PolarHBondContact O-N 3.28Å; D108-V198 HydrophobicContact CB-CG1 3.84Å; D108-C199 PolarHBondContact N-O 2.97Å
109R98.1Very high95.5Very high81 Ų8130.4 Ų30.431%0.30616%0.155SC..THydrogen-bonded Turntrans-97.1-1.1179.6-69.6167.6-172.289.5-12.3114.2N76 S107 R154 D200N76-R109 HydrophobicContact CB-CB 3.69Å; S107-R109 PolarHBondContact O-N 3.03Å; S107-R109 PolarHBondContact OG-N 2.79Å; R109-R154 WeakPolarHBondContact O-CD 3.47Å; R109-D200 IonicContact CZ-OD1 2.93Å; R109-D200 IonicContact CZ-OD2 3.97Å; R109-D200 IonicContact NH1-OD1 2.79Å; R109-D200 PolarHBondContact NH1-OD1 3.39Å; R109-D200 VanDerWaalsContact NH1-OD1 3.17Å; R109-D200 IonicContact NH1-OD2 3.03Å; R109-D200 PolarHBondContact NH1-OD2 2.92Å; R109-D200 IonicContact NH2-OD1 3.75Å; R109-D200 IonicContact NH2-OD2 3.93Å; R109-D200 PolarHBondContact NH2-OD2 2.9Å
110C98.2Very high95.7Very high0 Ų025.4 Ų25.40%013%0.128CC..PPolyproline II helixtrans-58.4136.6171.7-76.50000110.5G75 V80 S107 R154 V155G75-C110 PolarHBondContact O-SG 3.27Å; V80-C110 HydrophobicContact CG2-CB 3.86Å; S107-C110 WeakPolarHBondContact O-CB 3.37Å; S107-C110 PolarHBondContact O-N 2.79Å; S107-C110 VanDerWaalsContact O-N 3.11Å; C110-R154 CarbonylContact O-C 3.49Å; C110-R154 WeakPolarHBondContact O-CA 3.32Å; C110-R154 WeakPolarHBondContact O-CB 3.48Å; C110-V155 HydrophobicContact CB-CG2 3.83Å; C110-V155 PolarHBondContact O-N 3.47Å
111H98.3Very high95.8Very high23 Ų2325.5 Ų25.511%0.10613%0.129CC..EExtended strand (participates in β ladder)trans-80.2143.9171.5-77.966.1000110.4V79 V80 T143 K147 L153V79-H111 CarbonylContact C-O 3.54Å; V79-H111 WeakPolarHBondContact CA-O 3.45Å; V79-H111 HydrophobicContact CG1-CB 4.16Å; V80-H111 PolarHBondContact N-O 3.09Å; H111-T143 HydrophobicContact CB-CG2 3.96Å; H111-K147 WeakPolarHBondContact NE2-CB 3.44Å; H111-L153 WeakPolarHBondContact CA-O 3.02Å
112L96.8Very high95.9Very high3 Ų327.2 Ų27.22%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-88.3133-179.2-65.6168.4000110.8V80 L82 F114 H117 T143 L153 V155 L158 F165V80-L112 WeakPolarHBondContact O-CA 3.38Å; L82-L112 HydrophobicContact CD1-CD2 3.97Å; L82-L112 HydrophobicContact CD2-CD2 4.3Å; L82-L112 HydrophobicContact CG-CD2 3.97Å; L112-F114 HydrophobicContact CB-CE1 4Å; L112-F114 HydrophobicContact CB-CE2 3.91Å; L112-F114 HydrophobicContact CB-CZ 3.57Å; L112-F114 HydrophobicContact CD1-CE1 4.24Å; L112-F114 HydrophobicContact CD1-CZ 3.82Å; L112-F114 HydrophobicContact CG-CZ 4.36Å; L112-H117 PolarHBondContact O-CE1 2.83Å; L112-H117 PolarHBondContact O-ND1 3.21Å; L112-T143 WeakPolarHBondContact O-CG2 3.35Å; L112-L153 PolarHBondContact N-O 2.73Å; L112-V155 HydrophobicContact CD2-CG2 3.92Å; L112-L158 HydrophobicContact CD1-CB 3.97Å; L112-L158 HydrophobicContact CD1-CD2 4.25Å; L112-F165 HydrophobicContact CD1-CE2 3.98Å; L112-F165 HydrophobicContact CD1-CZ 4.38Å
113V96Very high95.9Very high7 Ų725.3 Ų25.34%0.04211%0.11CC..  trans-94.2112.4172-177.50000108.2V79 V80 N81 H117 Q118 K138 I140 T143V79-V113 HydrophobicContact CB-CG2 3.76Å; V79-V113 HydrophobicContact CG2-CG2 3.69Å; V80-V113 PolarHBondContact O-N 2.95Å; N81-V113 HydrophobicContact CB-CB 3.88Å; N81-V113 HydrophobicContact CB-CG1 4.27Å; N81-V113 PolarHBondContact ND2-O 3.44Å; V113-H117 HydrophobicContact CG1-CB 4.42Å; V113-Q118 HydrophobicContact CG1-CG 4.5Å; V113-K138 WeakPolarHBondContact CG1-O 3.23Å; V113-I140 HydrophobicContact CG2-CD1 4.31Å; V113-T143 HydrophobicContact CG2-CG2 4.01Å
114F94.4Very high95.9Very high13 Ų1326.2 Ų26.26%0.05712%0.115CC..  trans-100.5166.8177.6-59-67.6000111.8L112 I116 H117 Q118 L153 F165 Y169 L172 L191L112-F114 HydrophobicContact CB-CE1 4Å; L112-F114 HydrophobicContact CB-CE2 3.91Å; L112-F114 HydrophobicContact CB-CZ 3.57Å; L112-F114 HydrophobicContact CD1-CE1 4.24Å; L112-F114 HydrophobicContact CD1-CZ 3.82Å; L112-F114 HydrophobicContact CG-CZ 4.36Å; F114-I116 HydrophobicContact CB-CG1 3.75Å; F114-I116 PolarHBondContact O-N 3.32Å; F114-H117 AromaticContact CD2-CE1 3.61Å; F114-H117 PolarHBondContact N-ND1 2.85Å; F114-H117 WeakPolarHBondContact O-CA 3.34Å; F114-H117 VanDerWaalsContact O-CB 3.32Å; F114-H117 WeakPolarHBondContact O-CB 3.41Å; F114-H117 PolarHBondContact O-N 2.9Å; F114-Q118 PolarHBondContact O-N 3.22Å; F114-L153 HydrophobicContact CE2-CB 4.01Å; F114-L153 HydrophobicContact CE2-CD1 4.41Å; F114-L153 HydrophobicContact CZ-CB 4.1Å; F114-L153 HydrophobicContact CZ-CD2 4.34Å; F114-F165 HydrophobicContact CE1-CZ 4.11Å; F114-F165 HydrophobicContact CZ-CE2 4.32Å; F114-F165 AromaticContact CZ-CZ 3.97Å; F114-F165 HydrophobicContact CZ-CZ 3.97Å; F114-Y169 HydrophobicContact CB-CE2 4.03Å; F114-Y169 HydrophobicContact CD1-CD2 4.47Å; F114-Y169 AromaticContact CD1-CE2 3.87Å; F114-Y169 HydrophobicContact CD1-CE2 3.87Å; F114-Y169 HydrophobicContact CD2-CD2 4.04Å; F114-Y169 AromaticContact CD2-CE2 3.65Å; F114-Y169 HydrophobicContact CD2-CE2 3.65Å; F114-Y169 HydrophobicContact CE1-CD2 4.37Å; F114-Y169 HydrophobicContact CE1-CE2 4.22Å; F114-Y169 AromaticContact CE2-CD2 3.94Å; F114-Y169 HydrophobicContact CE2-CD2 3.94Å; F114-Y169 HydrophobicContact CE2-CE2 4.02Å; F114-Y169 HydrophobicContact CG-CD2 4.31Å; F114-Y169 AromaticContact CG-CE2 3.58Å; F114-Y169 HydrophobicContact CG-CE2 3.58Å; F114-Y169 HydrophobicContact CZ-CD2 4.11Å; F114-Y169 HydrophobicContact CZ-CE2 4.29Å; F114-L172 HydrophobicContact CD2-CD2 4.23Å; F114-L172 HydrophobicContact CE2-CD2 4.33Å; F114-L191 HydrophobicContact CD1-CD2 4.33Å; F114-L191 HydrophobicContact CE1-CD2 3.87Å
115D92.4Very high95.7Very high45 Ų4526.7 Ų26.724%0.24112%0.118CC..Hα-helixtrans-60.1-32.4176.4-60.3-35000113.1H117 Q118 E119 I185 S190D115-H117 PolarHBondContact O-N 2.82Å; D115-Q118 WeakPolarHBondContact O-CB 3.46Å; D115-Q118 PolarHBondContact O-N 3.01Å; D115-Q118 VanDerWaalsContact O-N 3.08Å; D115-Q118 PolarHBondContact OD1-NE2 2.77Å; D115-E119 PolarHBondContact O-N 3.25Å; D115-I185 HydrophobicContact CB-CD1 4.45Å; D115-S190 VanDerWaalsContact OD2-CB 3.25Å; D115-S190 WeakPolarHBondContact OD2-CB 3.07Å; D115-S190 PolarHBondContact OD2-OG 3.01Å
116I93.5Very high95.4Very high1 Ų130.8 Ų30.81%0.00514%0.14CC..Hα-helixtrans-57.6-38.4171.959.3167.9000111.9F114 I120 Y169 L172 V173 L183 I185F114-I116 HydrophobicContact CB-CG1 3.75Å; F114-I116 PolarHBondContact O-N 3.32Å; I116-I120 VanDerWaalsContact O-CD1 3.24Å; I116-I120 WeakPolarHBondContact O-CD1 3.2Å; I116-I120 WeakPolarHBondContact O-CG1 3.37Å; I116-I120 PolarHBondContact O-N 3.1Å; I116-Y169 HydrophobicContact CD1-CE2 3.89Å; I116-Y169 HydrophobicContact CG1-CE2 4.34Å; I116-L172 HydrophobicContact CD1-CD2 3.77Å; I116-L172 HydrophobicContact CD1-CG 3.74Å; I116-V173 HydrophobicContact CD1-CG2 4.09Å; I116-V173 HydrophobicContact CG2-CG2 4.25Å; I116-L183 HydrophobicContact CB-CD2 4.43Å; I116-L183 HydrophobicContact CG2-CD2 4.18Å; I116-I185 VanDerWaalsContact CA-CD1 3.48Å; I116-I185 HydrophobicContact CB-CD1 4.23Å; I116-I185 HydrophobicContact CG2-CB 4.21Å; I116-I185 HydrophobicContact CG2-CD1 3.79Å; I116-I185 HydrophobicContact CG2-CG2 3.89Å
117H95.5Very high95.2Very high1 Ų137.4 Ų37.41%0.00518%0.175CC..Hα-helixtrans-69.1-39.7176.6-58.1147.9000110.8L112 V113 F114 D115 D121 G139 P142 T143L112-H117 PolarHBondContact O-CE1 2.83Å; L112-H117 PolarHBondContact O-ND1 3.21Å; V113-H117 HydrophobicContact CG1-CB 4.42Å; F114-H117 AromaticContact CD2-CE1 3.61Å; F114-H117 PolarHBondContact N-ND1 2.85Å; F114-H117 WeakPolarHBondContact O-CA 3.34Å; F114-H117 VanDerWaalsContact O-CB 3.32Å; F114-H117 WeakPolarHBondContact O-CB 3.41Å; F114-H117 PolarHBondContact O-N 2.9Å; D115-H117 PolarHBondContact O-N 2.82Å; H117-D121 WeakPolarHBondContact O-CB 3.32Å; H117-D121 PolarHBondContact O-N 3.32Å; H117-G139 VanDerWaalsContact C-CA 3.44Å; H117-G139 VanDerWaalsContact O-CA 3.27Å; H117-G139 WeakPolarHBondContact O-CA 3.4Å; H117-P142 HydrophobicContact CB-CB 4.02Å; H117-T143 PolarHBondContact ND1-OG1 3.24Å
118Q94.8Very high94.9Very high25 Ų2541 Ų4112%0.11719%0.188CC..Hα-helixtrans-64-40.6178.5-53.8-166.574.600111.9V113 F114 D115 D121 R122V113-Q118 HydrophobicContact CG1-CG 4.5Å; F114-Q118 PolarHBondContact O-N 3.22Å; D115-Q118 WeakPolarHBondContact O-CB 3.46Å; D115-Q118 PolarHBondContact O-N 3.01Å; D115-Q118 VanDerWaalsContact O-N 3.08Å; D115-Q118 PolarHBondContact OD1-NE2 2.77Å; Q118-D121 WeakPolarHBondContact O-CB 3.36Å; Q118-D121 PolarHBondContact O-N 3.46Å; Q118-R122 WeakPolarHBondContact O-CG 3.27Å; Q118-R122 PolarHBondContact O-N 3.48Å; Q118-R122 VanDerWaalsContact O-N 3.09Å
119E93.7Very high94.7Very high56 Ų5641.5 Ų41.526%0.26220%0.202SC..Hα-helixtrans-72.7-40.5179-174.660.5-154.800112.5D115 D121 R122 M123 L183 I185D115-E119 PolarHBondContact O-N 3.25Å; E119-D121 VanDerWaalsContact C-N 3.27Å; E119-D121 PolarHBondContact O-N 3.02Å; E119-R122 WeakPolarHBondContact O-CB 3.4Å; E119-R122 PolarHBondContact O-N 3.13Å; E119-R122 IonicContact OE2-CZ 2.91Å; E119-R122 IonicContact OE2-NE 2.8Å; E119-R122 PolarHBondContact OE2-NE 3.38Å; E119-R122 IonicContact OE2-NH2 2.85Å; E119-R122 PolarHBondContact OE2-NH2 2.87Å; E119-M123 HydrophobicContact CG-CG 4.44Å; E119-M123 HydrophobicContact CG-SD 4.21Å; E119-M123 VanDerWaalsContact O-CG 3.28Å; E119-M123 WeakPolarHBondContact O-CG 3.39Å; E119-M123 PolarHBondContact O-N 3.43Å; E119-L183 HydrophobicContact CB-CD1 3.78Å; E119-L183 HydrophobicContact CG-CD1 3.31Å; E119-I185 HydrophobicContact CB-CD1 3.54Å; E119-I185 HydrophobicContact CG-CD1 4.02Å
120I94.5Very high94.2Very high9 Ų947.1 Ų47.15%0.04623%0.231CC..Hα-helixtrans-56.7-45.3171.5-65.6159.8000110.3I116 R122 M123 E124 P142 V176 Y180I116-I120 VanDerWaalsContact O-CD1 3.24Å; I116-I120 WeakPolarHBondContact O-CD1 3.2Å; I116-I120 WeakPolarHBondContact O-CG1 3.37Å; I116-I120 PolarHBondContact O-N 3.1Å; I120-R122 VanDerWaalsContact C-N 3.32Å; I120-R122 PolarHBondContact O-N 3.42Å; I120-M123 PolarHBondContact O-N 3.08Å; I120-E124 HydrophobicContact CG2-CG 4.18Å; I120-E124 WeakPolarHBondContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.85Å; I120-P142 HydrophobicContact CB-CB 4.26Å; I120-P142 HydrophobicContact CB-CG 4.1Å; I120-P142 HydrophobicContact CG2-CB 4.11Å; I120-P142 HydrophobicContact CG2-CG 3.82Å; I120-V176 HydrophobicContact CD1-CB 4.27Å; I120-V176 HydrophobicContact CD1-CG1 3.4Å; I120-V176 HydrophobicContact CD1-CG2 3.78Å; I120-V176 HydrophobicContact CG1-CG1 3.75Å; I120-Y180 HydrophobicContact CG1-CD2 4.18Å; I120-Y180 HydrophobicContact CG1-CE2 4.22Å; I120-Y180 HydrophobicContact CG2-CE1 4.32Å; I120-Y180 HydrophobicContact CG2-CE2 3.96Å
121D95.6Very high93.8Very high4 Ų453.4 Ų53.42%0.02127%0.265CS..Hα-helixtrans-59.3-43.2178.7-165.12.2000111.4H117 Q118 E119 E125 T135 K137 K138 G139 P142H117-D121 WeakPolarHBondContact O-CB 3.32Å; H117-D121 PolarHBondContact O-N 3.32Å; Q118-D121 WeakPolarHBondContact O-CB 3.36Å; Q118-D121 PolarHBondContact O-N 3.46Å; E119-D121 VanDerWaalsContact C-N 3.27Å; E119-D121 PolarHBondContact O-N 3.02Å; D121-E125 PolarHBondContact O-N 2.88Å; D121-E125 VanDerWaalsContact O-N 3.1Å; D121-T135 VanDerWaalsContact OD1-CB 3.27Å; D121-T135 WeakPolarHBondContact OD1-CB 3.13Å; D121-T135 WeakPolarHBondContact OD1-CG2 3.11Å; D121-T135 PolarHBondContact OD1-OG1 2.82Å; D121-K137 WeakPolarHBondContact OD2-CA 3.41Å; D121-K137 PolarHBondContact OD2-N 3.39Å; D121-K138 PolarHBondContact OD2-N 2.97Å; D121-G139 PolarHBondContact OD2-N 3.19Å; D121-P142 HydrophobicContact CB-CG 3.95Å
122R94.7Very high93.4Very high94 Ų9454.1 Ų54.136%0.35527%0.272SS..Hα-helixtrans-61.1-51173.9-74.5-171.7-72.4-89.810.5112.6Q118 E119 I120 E124 E125 E126 K137Q118-R122 WeakPolarHBondContact O-CG 3.27Å; Q118-R122 PolarHBondContact O-N 3.48Å; Q118-R122 VanDerWaalsContact O-N 3.09Å; E119-R122 WeakPolarHBondContact O-CB 3.4Å; E119-R122 PolarHBondContact O-N 3.13Å; E119-R122 IonicContact OE2-CZ 2.91Å; E119-R122 IonicContact OE2-NE 2.8Å; E119-R122 PolarHBondContact OE2-NE 3.38Å; E119-R122 IonicContact OE2-NH2 2.85Å; E119-R122 PolarHBondContact OE2-NH2 2.87Å; I120-R122 VanDerWaalsContact C-N 3.32Å; I120-R122 PolarHBondContact O-N 3.42Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.38Å; R122-E125 PolarHBondContact O-N 3.33Å; R122-E126 PolarHBondContact O-N 2.95Å; R122-K137 HydrophobicContact CG-CB 3.76Å; R122-K137 HydrophobicContact CG-CD 4.05Å; R122-K137 HydrophobicContact CG-CG 3.98Å
123M93.9Very high93Very high31 Ų3156.3 Ų56.315%0.15328%0.284CS..Hα-helixtrans-62.3-41.8-178.4-68176.475.600111.5E119 I120 E126 L127 Y180 K182 L183E119-M123 HydrophobicContact CG-CG 4.44Å; E119-M123 HydrophobicContact CG-SD 4.21Å; E119-M123 VanDerWaalsContact O-CG 3.28Å; E119-M123 WeakPolarHBondContact O-CG 3.39Å; E119-M123 PolarHBondContact O-N 3.43Å; I120-M123 PolarHBondContact O-N 3.08Å; M123-E126 PolarHBondContact O-N 3.27Å; M123-L127 WeakPolarHBondContact O-CB 3.33Å; M123-L127 VanDerWaalsContact O-CG 3.24Å; M123-L127 WeakPolarHBondContact O-CG 3.43Å; M123-L127 PolarHBondContact O-N 3.28Å; M123-Y180 HydrophobicContact CE-CD1 4.16Å; M123-Y180 HydrophobicContact SD-CD1 4.4Å; M123-K182 HydrophobicContact CE-CB 4.31Å; M123-L183 HydrophobicContact SD-CD1 4.07Å
124E94.4Very high92.7Very high49 Ų4956.6 Ų56.623%0.22929%0.288CS..Hα-helixtrans-66.5-41.2178.3-74.9-170.3176.300112.5I120 R122 E126 L127 R128 Y180I120-E124 HydrophobicContact CG2-CG 4.18Å; I120-E124 WeakPolarHBondContact O-CB 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.85Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.38Å; E124-E126 VanDerWaalsContact C-N 3.33Å; E124-L127 PolarHBondContact O-N 3.08Å; E124-R128 VanDerWaalsContact O-CG 3.29Å; E124-R128 WeakPolarHBondContact O-CG 3.46Å; E124-R128 PolarHBondContact O-N 2.7Å; E124-R128 IonicContact OE2-CZ 3.44Å; E124-R128 IonicContact OE2-NH2 2.74Å; E124-R128 PolarHBondContact OE2-NH2 3.13Å; E124-Y180 HydrophobicContact CG-CE1 4.22Å; E124-Y180 PolarHBondContact OE1-OH 3.4Å
125E93.4Very high92.6Very high10 Ų1057.9 Ų57.95%0.04730%0.297CS..Hα-helixtrans-63.9-39.1174.5-81.4-63.710600112.6D121 R122 R128 G129 S132 L133 G134 T135D121-E125 PolarHBondContact O-N 2.88Å; D121-E125 VanDerWaalsContact O-N 3.1Å; R122-E125 PolarHBondContact O-N 3.33Å; E125-R128 PolarHBondContact O-N 2.95Å; E125-R128 WeakPolarHBondContact OE1-CD 3.47Å; E125-R128 IonicContact OE1-CZ 2.67Å; E125-R128 IonicContact OE1-NE 2.64Å; E125-R128 IonicContact OE1-NH1 3.1Å; E125-R128 PolarHBondContact OE1-NH1 2.68Å; E125-G129 PolarHBondContact O-N 3.18Å; E125-S132 PolarHBondContact OE2-OG 3.23Å; E125-L133 WeakPolarHBondContact OE1-CB 3.3Å; E125-L133 PolarHBondContact OE1-N 3.44Å; E125-L133 PolarHBondContact OE2-N 3.35Å; E125-G134 WeakPolarHBondContact OE2-CA 3.43Å; E125-G134 PolarHBondContact OE2-N 2.52Å; E125-T135 HydrophobicContact CG-CG2 3.8Å; E125-T135 VanDerWaalsContact CG-OG1 3.22Å; E125-T135 WeakPolarHBondContact CG-OG1 3.45Å; E125-T135 PolarHBondContact OE2-N 3.21Å
126E92.8Very high92.5Very high159 Ų15957.5 Ų57.574%0.74330%0.296SS*.Hα-helixtrans-63.3-45174.9-174.2180176.500111.5R122 M123 E124 R128 G129R122-E126 PolarHBondContact O-N 2.95Å; M123-E126 PolarHBondContact O-N 3.27Å; E124-E126 VanDerWaalsContact C-N 3.33Å; E126-R128 VanDerWaalsContact C-N 3.28Å; E126-R128 PolarHBondContact O-N 2.67Å; E126-G129 PolarHBondContact O-N 3.11Å
127L92.7Very high92.6Very high140 Ų14062.3 Ų62.373%0.73332%0.317SS*.Hα-helixtrans-65.1-29.8178.4-73171.7000113.3M123 E124 G129M123-L127 WeakPolarHBondContact O-CB 3.33Å; M123-L127 VanDerWaalsContact O-CG 3.24Å; M123-L127 WeakPolarHBondContact O-CG 3.43Å; M123-L127 PolarHBondContact O-N 3.28Å; E124-L127 PolarHBondContact O-N 3.08Å; L127-G129 VanDerWaalsContact C-N 3.28Å; L127-G129 PolarHBondContact O-N 3.05Å
128R93.1Very high92.6Very high76 Ų7666 Ų6629%0.28733%0.333SS..Hα-helixtrans-68.5-27.3176-75.9175.4-171.9115.514.7112.5E124 E125 E126 E130 N131E124-R128 VanDerWaalsContact O-CG 3.29Å; E124-R128 WeakPolarHBondContact O-CG 3.46Å; E124-R128 PolarHBondContact O-N 2.7Å; E124-R128 IonicContact OE2-CZ 3.44Å; E124-R128 IonicContact OE2-NH2 2.74Å; E124-R128 PolarHBondContact OE2-NH2 3.13Å; E125-R128 PolarHBondContact O-N 2.95Å; E125-R128 WeakPolarHBondContact OE1-CD 3.47Å; E125-R128 IonicContact OE1-CZ 2.67Å; E125-R128 IonicContact OE1-NE 2.64Å; E125-R128 IonicContact OE1-NH1 3.1Å; E125-R128 PolarHBondContact OE1-NH1 2.68Å; E126-R128 VanDerWaalsContact C-N 3.28Å; E126-R128 PolarHBondContact O-N 2.67Å; R128-E130 PolarHBondContact O-N 3.16Å; R128-N131 WeakPolarHBondContact O-CB 3.38Å; R128-N131 PolarHBondContact O-N 3.21Å
129G91.5Very high92.7Very high45 Ų4564.8 Ų64.846%0.46433%0.328SS..G310 helixtrans54.4-120.8179.100000112.3E125 E126 L127 N131 S132E125-G129 PolarHBondContact O-N 3.18Å; E126-G129 PolarHBondContact O-N 3.11Å; L127-G129 VanDerWaalsContact C-N 3.28Å; L127-G129 PolarHBondContact O-N 3.05Å; G129-N131 PolarHBondContact O-N 3.41Å; G129-S132 VanDerWaalsContact O-CB 3.3Å; G129-S132 WeakPolarHBondContact O-CB 3.4Å; G129-S132 PolarHBondContact O-N 2.67Å
130E88.7Confident92.8Very high199 Ų19962.3 Ų62.393%0.9332%0.316SS*.G310 helixtrans-60.1-24.9178-63.1-178.7170.500113.2R128 S132R128-E130 PolarHBondContact O-N 3.16Å; E130-S132 VanDerWaalsContact C-N 3.25Å; E130-S132 PolarHBondContact O-N 3.26Å
131N88.5Confident93Very high132 Ų13263 Ų6371%0.70633%0.326SS*.G310 helixtrans-89.722.6175.9-61.9-54.2000112.9R128 G129 L133R128-N131 WeakPolarHBondContact O-CB 3.38Å; R128-N131 PolarHBondContact O-N 3.21Å; G129-N131 PolarHBondContact O-N 3.41Å; N131-L133 PolarHBondContact O-N 3.12Å
132S90.5Very high93.1Very high37 Ų3763.4 Ų63.426%0.25933%0.328SS..  trans-52.9132.4177.3165.70000111E125 G129 E130 G134E125-S132 PolarHBondContact OE2-OG 3.23Å; G129-S132 VanDerWaalsContact O-CB 3.3Å; G129-S132 WeakPolarHBondContact O-CB 3.4Å; G129-S132 PolarHBondContact O-N 2.67Å; E130-S132 VanDerWaalsContact C-N 3.25Å; E130-S132 PolarHBondContact O-N 3.26Å; S132-G134 VanDerWaalsContact C-N 3.25Å; S132-G134 PolarHBondContact OG-N 2.95Å; S132-G134 VanDerWaalsContact OG-N 3.13Å
133L89.4Confident93.3Very high49 Ų4959 Ų5926%0.25731%0.312SS..  trans-77.8-20174-60.3179000111E125 N131 T135 P234E125-L133 WeakPolarHBondContact OE1-CB 3.3Å; E125-L133 PolarHBondContact OE1-N 3.44Å; E125-L133 PolarHBondContact OE2-N 3.35Å; N131-L133 PolarHBondContact O-N 3.12Å; L133-T135 HydrophobicContact CB-CG2 4.27Å; L133-P234 HydrophobicContact CD2-CB 3.93Å; L133-P234 HydrophobicContact CD2-CG 3.77Å
134G89.2Confident93.5Very high13 Ų1358.5 Ų58.513%0.13431%0.309CS..  trans77.840.8-177.900000112E125 S132 R301E125-G134 WeakPolarHBondContact OE2-CA 3.43Å; E125-G134 PolarHBondContact OE2-N 2.52Å; S132-G134 VanDerWaalsContact C-N 3.25Å; S132-G134 PolarHBondContact OG-N 2.95Å; S132-G134 VanDerWaalsContact OG-N 3.13Å; G134-R301 PolarHBondContact O-NH2 3.47Å
135T91.5Very high93.6Very high40 Ų4059.1 Ų59.125%0.24532%0.318CS..  trans-61.8163.4179.379.80000111.4D121 E125 L133 K137D121-T135 VanDerWaalsContact OD1-CB 3.27Å; D121-T135 WeakPolarHBondContact OD1-CB 3.13Å; D121-T135 WeakPolarHBondContact OD1-CG2 3.11Å; D121-T135 PolarHBondContact OD1-OG1 2.82Å; E125-T135 HydrophobicContact CG-CG2 3.8Å; E125-T135 VanDerWaalsContact CG-OG1 3.22Å; E125-T135 WeakPolarHBondContact CG-OG1 3.45Å; E125-T135 PolarHBondContact OE2-N 3.21Å; L133-T135 HydrophobicContact CB-CG2 4.27Å; T135-K137 PolarHBondContact O-N 3.06Å; T135-K137 PolarHBondContact OG1-N 3.19Å
136T91.5Very high93.9Very high37 Ų3759.1 Ų59.123%0.22732%0.319CS..  trans-78.8-4.7175.756.80000112.8N44 K138 T298 T299N44-T136 HydrophobicContact CB-CG2 3.76Å; N44-T136 WeakPolarHBondContact CB-OG1 3.48Å; T136-K138 PolarHBondContact O-N 3.35Å; T136-T298 HydrophobicContact CG2-CG2 4.48Å; T136-T299 HydrophobicContact CG2-CG2 3.91Å
137K94.1Very high94.1Very high103 Ų10355.4 Ų55.445%0.44830%0.3SS..SBendtrans58.924.9-176.7-60.2168.4175.9-1710113D121 R122 T135D121-K137 WeakPolarHBondContact OD2-CA 3.41Å; D121-K137 PolarHBondContact OD2-N 3.39Å; R122-K137 HydrophobicContact CG-CB 3.76Å; R122-K137 HydrophobicContact CG-CD 4.05Å; R122-K137 HydrophobicContact CG-CG 3.98Å; T135-K137 PolarHBondContact O-N 3.06Å; T135-K137 PolarHBondContact OG1-N 3.19Å
138K95.7Very high94.3Very high77 Ų7754.1 Ų54.134%0.33530%0.298SS..SBendtrans-95.44.5-179.9-64.5-59.6-173.2176.90112.7V113 D121 T136 I140V113-K138 WeakPolarHBondContact CG1-O 3.23Å; D121-K138 PolarHBondContact OD2-N 2.97Å; T136-K138 PolarHBondContact O-N 3.35Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 HydrophobicContact CB-CD1 4.37Å; K138-I140 HydrophobicContact CB-CG1 4.18Å; K138-I140 PolarHBondContact O-N 3.34Å
139G96.5Very high94.6Very high0 Ų053.4 Ų53.40%030%0.303CS..SBendtrans78.615.417500000114.5H117 D121 T143H117-G139 VanDerWaalsContact C-CA 3.44Å; H117-G139 VanDerWaalsContact O-CA 3.27Å; H117-G139 WeakPolarHBondContact O-CA 3.4Å; D121-G139 PolarHBondContact OD2-N 3.19Å; G139-T143 WeakPolarHBondContact O-CB 3.49Å; G139-T143 PolarHBondContact O-N 2.97Å; G139-T143 PolarHBondContact O-OG1 2.81Å
140I97.6Very high94.8Very high5 Ų562.5 Ų62.53%0.02632%0.323CS..Hα-helixtrans-66.8-52.7-175.9-55.4-53.7000110.8N43 N44 V79 V113 K138 T143 Y144N43-I140 WeakPolarHBondContact OD1-CD1 3.45Å; N44-I140 HydrophobicContact CB-CG1 3.71Å; V79-I140 HydrophobicContact CG2-CD1 3.74Å; V79-I140 HydrophobicContact CG2-CG2 4.06Å; V113-I140 HydrophobicContact CG2-CD1 4.31Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 HydrophobicContact CB-CD1 4.37Å; K138-I140 HydrophobicContact CB-CG1 4.18Å; K138-I140 PolarHBondContact O-N 3.34Å; I140-T143 PolarHBondContact O-N 2.9Å; I140-Y144 HydrophobicContact CG2-CD2 3.81Å; I140-Y144 HydrophobicContact CG2-CE2 3.77Å; I140-Y144 WeakPolarHBondContact O-CD2 3.15Å; I140-Y144 PolarHBondContact O-N 3.18Å
141G97.6Very high95.2Very high24 Ų2454.7 Ų54.725%0.24729%0.287CS..Hα-helixtrans-57.4-52.6177.800000112.6T143 Y144 S145 S238G141-T143 VanDerWaalsContact C-N 3.29Å; G141-T143 PolarHBondContact O-N 3.42Å; G141-Y144 PolarHBondContact O-N 3.47Å; G141-S145 WeakPolarHBondContact O-CB 2.9Å; G141-S145 PolarHBondContact O-N 2.88Å; G141-S238 VanDerWaalsContact CA-OG 3.3Å; G141-S238 WeakPolarHBondContact CA-OG 3.46Å
142P97.4Very high95.6Very high11 Ų1149.4 Ų49.47%0.07126%0.264CS..Hα-helixtrans-57.6-36.8175.1-3038.3000113.9H117 I120 D121 S145 S146H117-P142 HydrophobicContact CB-CB 4.02Å; I120-P142 HydrophobicContact CB-CB 4.26Å; I120-P142 HydrophobicContact CB-CG 4.1Å; I120-P142 HydrophobicContact CG2-CB 4.11Å; I120-P142 HydrophobicContact CG2-CG 3.82Å; D121-P142 HydrophobicContact CB-CG 3.95Å; P142-S145 WeakPolarHBondContact O-CB 3.42Å; P142-S145 PolarHBondContact O-N 3.45Å; P142-S146 PolarHBondContact O-N 3.08Å; P142-S146 PolarHBondContact O-OG 3.23Å
143T98.4Very high95.9Very high1 Ų147.8 Ų47.81%0.00625%0.253CS..Hα-helixtrans-67-44.1176.6-54.20000112.2V79 H111 L112 V113 H117 G139 I140 G141 S145 S146 K147V79-T143 HydrophobicContact CB-CG2 3.86Å; V79-T143 HydrophobicContact CG1-CG2 3.79Å; H111-T143 HydrophobicContact CB-CG2 3.96Å; L112-T143 WeakPolarHBondContact O-CG2 3.35Å; V113-T143 HydrophobicContact CG2-CG2 4.01Å; H117-T143 PolarHBondContact ND1-OG1 3.24Å; G139-T143 WeakPolarHBondContact O-CB 3.49Å; G139-T143 PolarHBondContact O-N 2.97Å; G139-T143 PolarHBondContact O-OG1 2.81Å; I140-T143 PolarHBondContact O-N 2.9Å; G141-T143 VanDerWaalsContact C-N 3.29Å; G141-T143 PolarHBondContact O-N 3.42Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.06Å; T143-S146 PolarHBondContact O-N 2.65Å; T143-K147 PolarHBondContact O-N 3.44Å
144Y98.4Very high96.3Very high22 Ų2249.8 Ų49.89%0.08626%0.257CS..Hα-helixtrans-63.9-37.6173.3-84.4-78.5000111.8G41 G77 V79 I140 G141 S146 K147 V148 S238 S239G41-Y144 PolarHBondContact N-OH 3.1Å; G41-Y144 PolarHBondContact O-OH 3.45Å; G77-Y144 PolarHBondContact O-OH 3.14Å; V79-Y144 HydrophobicContact CB-CE2 4.39Å; V79-Y144 HydrophobicContact CG1-CD1 4.36Å; V79-Y144 HydrophobicContact CG1-CD2 3.87Å; V79-Y144 HydrophobicContact CG1-CE1 4.1Å; V79-Y144 HydrophobicContact CG1-CE2 3.61Å; V79-Y144 HydrophobicContact CG1-CG 4.24Å; V79-Y144 HydrophobicContact CG2-CD2 4.28Å; V79-Y144 HydrophobicContact CG2-CE2 3.83Å; I140-Y144 HydrophobicContact CG2-CD2 3.81Å; I140-Y144 HydrophobicContact CG2-CE2 3.77Å; I140-Y144 WeakPolarHBondContact O-CD2 3.15Å; I140-Y144 PolarHBondContact O-N 3.18Å; G141-Y144 PolarHBondContact O-N 3.47Å; Y144-S146 VanDerWaalsContact C-N 3.35Å; Y144-S146 PolarHBondContact O-N 3.19Å; Y144-K147 HydrophobicContact CD1-CD 4.43Å; Y144-K147 WeakPolarHBondContact O-CB 3.47Å; Y144-K147 PolarHBondContact O-N 3.31Å; Y144-V148 WeakPolarHBondContact O-CG2 3.43Å; Y144-V148 PolarHBondContact O-N 2.63Å; Y144-V148 VanDerWaalsContact O-N 3.08Å; Y144-S238 VanDerWaalsContact CD1-O 3.22Å; Y144-S238 WeakPolarHBondContact CD1-O 3.19Å; Y144-S238 VanDerWaalsContact CG-O 3.25Å; Y144-S239 VanDerWaalsContact CZ-CB 3.46Å; Y144-S239 VanDerWaalsContact OH-CB 3.23Å; Y144-S239 WeakPolarHBondContact OH-CB 3.3Å
145S97.7Very high96.6Very high62 Ų6249.1 Ų49.143%0.43425%0.25SS..Hα-helixtrans-59.7-43.6172.5-176.40000111.7G141 P142 T143 K147 V148 T149G141-S145 WeakPolarHBondContact O-CB 2.9Å; G141-S145 PolarHBondContact O-N 2.88Å; P142-S145 WeakPolarHBondContact O-CB 3.42Å; P142-S145 PolarHBondContact O-N 3.45Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.06Å; S145-K147 VanDerWaalsContact C-N 3.32Å; S145-K147 PolarHBondContact O-N 2.9Å; S145-V148 VanDerWaalsContact O-CG2 3.22Å; S145-V148 WeakPolarHBondContact O-CG2 3.37Å; S145-V148 PolarHBondContact O-N 2.91Å; S145-T149 VanDerWaalsContact O-CB 3.23Å; S145-T149 WeakPolarHBondContact O-CB 3.22Å; S145-T149 PolarHBondContact O-N 3.17Å; S145-T149 PolarHBondContact O-OG1 3.13Å
146S98Very high96.8Very high9 Ų949.1 Ų49.16%0.06325%0.252CS..Hα-helixtrans-63.4-36.4175-78.10000113.2P142 T143 Y144 R150 N151 G152P142-S146 PolarHBondContact O-N 3.08Å; P142-S146 PolarHBondContact O-OG 3.23Å; T143-S146 PolarHBondContact O-N 2.65Å; Y144-S146 VanDerWaalsContact C-N 3.35Å; Y144-S146 PolarHBondContact O-N 3.19Å; S146-R150 PolarHBondContact O-N 2.91Å; S146-N151 WeakPolarHBondContact CA-OD1 3.42Å; S146-N151 WeakPolarHBondContact CB-OD1 3.47Å; S146-N151 PolarHBondContact O-N 2.9Å; S146-N151 PolarHBondContact O-OD1 2.83Å; S146-N151 PolarHBondContact OG-OD1 2.79Å; S146-G152 PolarHBondContact O-N 2.88Å
147K98.1Very high97Very high81 Ų8148.7 Ų48.735%0.35225%0.248SC..Hα-helixtrans-59-50.8171.7171.7-179.9176.6-1750111.4H111 T143 Y144 S145 R150H111-K147 WeakPolarHBondContact NE2-CB 3.44Å; T143-K147 PolarHBondContact O-N 3.44Å; Y144-K147 HydrophobicContact CD1-CD 4.43Å; Y144-K147 WeakPolarHBondContact O-CB 3.47Å; Y144-K147 PolarHBondContact O-N 3.31Å; S145-K147 VanDerWaalsContact C-N 3.32Å; S145-K147 PolarHBondContact O-N 2.9Å; K147-R150 PolarHBondContact O-N 3Å
148V97.8Very high96.9Very high114 Ų11444 Ų4469%0.69123%0.228SC*.Hα-helixtrans-73.4-30.8-178.9-71.20000113.2Y144 S145 R150Y144-V148 WeakPolarHBondContact O-CG2 3.43Å; Y144-V148 PolarHBondContact O-N 2.63Å; Y144-V148 VanDerWaalsContact O-N 3.08Å; S145-V148 VanDerWaalsContact O-CG2 3.22Å; S145-V148 WeakPolarHBondContact O-CG2 3.37Å; S145-V148 PolarHBondContact O-N 2.91Å; V148-R150 PolarHBondContact O-N 3.16Å
149T97.4Very high96.7Very high61 Ų6144.3 Ų44.337%0.37423%0.231SC..Hα-helixtrans-72.3-12.2172.5-56.40000112.5S145 N151 Y175S145-T149 VanDerWaalsContact O-CB 3.23Å; S145-T149 WeakPolarHBondContact O-CB 3.22Å; S145-T149 PolarHBondContact O-N 3.17Å; S145-T149 PolarHBondContact O-OG1 3.13Å; T149-N151 VanDerWaalsContact C-N 3.32Å; T149-N151 PolarHBondContact O-N 2.82Å; T149-Y175 HydrophobicContact CG2-CE1 4.44Å
150R97.6Very high96.4Very high235 Ų23546.6 Ų46.689%0.88726%0.255SS*.THydrogen-bonded Turntrans64.831.9179.9-46.5177.5-178.3178.5-0.8113.8S146 K147 V148S146-R150 PolarHBondContact O-N 2.91Å; K147-R150 PolarHBondContact O-N 3Å; V148-R150 PolarHBondContact O-N 3.16Å
151N96.5Very high96.1Very high35 Ų3550.1 Ų50.119%0.18727%0.273CS..  trans-121.32.4173.768.90.1000113.3S146 T149 L172 Y175S146-N151 WeakPolarHBondContact CA-OD1 3.42Å; S146-N151 WeakPolarHBondContact CB-OD1 3.47Å; S146-N151 PolarHBondContact O-N 2.9Å; S146-N151 PolarHBondContact O-OD1 2.83Å; S146-N151 PolarHBondContact OG-OD1 2.79Å; T149-N151 VanDerWaalsContact C-N 3.32Å; T149-N151 PolarHBondContact O-N 2.82Å; N151-L172 HydrophobicContact CB-CD1 4.37Å; N151-Y175 WeakPolarHBondContact ND2-CD1 3.09Å; N151-Y175 VanDerWaalsContact ND2-CE1 3.31Å; N151-Y175 WeakPolarHBondContact ND2-CE1 3.35Å
152G97.3Very high95.8Very high21 Ų2153.3 Ų53.322%0.21628%0.278CS..  trans-71.6154.2174.100000112.8S146S146-G152 PolarHBondContact O-N 2.88Å
153L97Very high95.5Very high4 Ų458 Ų582%0.02131%0.306CS..  trans-106145.4175.1-72.174.1000109.9H111 L112 F114 F165 K168 L172H111-L153 WeakPolarHBondContact CA-O 3.02Å; L112-L153 PolarHBondContact N-O 2.73Å; F114-L153 HydrophobicContact CE2-CB 4.01Å; F114-L153 HydrophobicContact CE2-CD1 4.41Å; F114-L153 HydrophobicContact CZ-CB 4.1Å; F114-L153 HydrophobicContact CZ-CD2 4.34Å; L153-F165 HydrophobicContact CB-CE2 4.33Å; L153-F165 HydrophobicContact CD2-CD2 3.66Å; L153-F165 HydrophobicContact CD2-CE2 3.41Å; L153-F165 VanDerWaalsContact CD2-CE2 3.41Å; L153-F165 HydrophobicContact CD2-CG 4.45Å; L153-F165 HydrophobicContact CD2-CZ 4Å; L153-F165 HydrophobicContact CG-CE2 4.49Å; L153-K168 HydrophobicContact CD1-CB 4.34Å; L153-K168 HydrophobicContact CD2-CB 3.9Å; L153-K168 HydrophobicContact CG-CB 4.12Å; L153-L172 HydrophobicContact CD1-CB 4.14Å; L153-L172 HydrophobicContact CD1-CD2 3.73Å
154R96.8Very high95.3Very high90 Ų9063.5 Ų63.534%0.3433%0.332SS..BIsolated β-bridgetrans-111.3166.4179.6-63.4-179.3-61.7173.12.5111.7R109 C110 C156 D157 L158R109-R154 WeakPolarHBondContact O-CD 3.47Å; C110-R154 CarbonylContact O-C 3.49Å; C110-R154 WeakPolarHBondContact O-CA 3.32Å; C110-R154 WeakPolarHBondContact O-CB 3.48Å; R154-C156 PolarHBondContact O-N 2.86Å; R154-D157 PolarHBondContact N-OD2 2.8Å; R154-D157 WeakPolarHBondContact O-CB 3.45Å; R154-D157 PolarHBondContact O-N 3.49Å; R154-L158 PolarHBondContact O-N 2.89Å
155V96Very high95Very high0 Ų062.5 Ų62.50%033%0.328CS..Hα-helixtrans-53.3-39.9174.7172.90000111.4I106 C110 L112 D157 L158 M159 L194 V198I106-V155 HydrophobicContact CG2-CG2 4.4Å; C110-V155 HydrophobicContact CB-CG2 3.83Å; C110-V155 PolarHBondContact O-N 3.47Å; L112-V155 HydrophobicContact CD2-CG2 3.92Å; V155-D157 VanDerWaalsContact C-N 3.25Å; V155-D157 PolarHBondContact O-N 2.84Å; V155-L158 WeakPolarHBondContact O-CB 3.4Å; V155-L158 PolarHBondContact O-N 3.03Å; V155-L158 VanDerWaalsContact O-N 3.1Å; V155-M159 HydrophobicContact CG1-CG 4.04Å; V155-M159 VanDerWaalsContact O-CG 3.31Å; V155-M159 WeakPolarHBondContact O-CG 3.23Å; V155-M159 PolarHBondContact O-N 3.07Å; V155-L194 HydrophobicContact CG1-CD2 4.04Å; V155-V198 HydrophobicContact CG1-CB 4.4Å; V155-V198 HydrophobicContact CG1-CG1 3.72Å; V155-V198 HydrophobicContact CG1-CG2 3.69Å
156C95.7Very high94.7Very high40 Ų4061.1 Ų61.127%0.2732%0.317SS..Hα-helixtrans-61.6-31.4177.265.60000113.5D108 R154 G160D108-C156 HydrophobicContact CB-CB 4.16Å; D108-C156 VanDerWaalsContact O-CB 3.26Å; D108-C156 WeakPolarHBondContact O-CB 3.45Å; D108-C156 PolarHBondContact O-N 3.28Å; R154-C156 PolarHBondContact O-N 2.86Å; C156-G160 PolarHBondContact O-N 3.27Å
157D95Very high94.5Very high27 Ų2763.2 Ų63.214%0.14434%0.335CS..Hα-helixtrans-68.3-41.6175.8-59.7-69.5000110R154 V155 G160 F165 K168R154-D157 PolarHBondContact N-OD2 2.8Å; R154-D157 WeakPolarHBondContact O-CB 3.45Å; R154-D157 PolarHBondContact O-N 3.49Å; V155-D157 VanDerWaalsContact C-N 3.25Å; V155-D157 PolarHBondContact O-N 2.84Å; D157-G160 PolarHBondContact O-N 3.2Å; D157-F165 HydrophobicContact CB-CD2 3.94Å; D157-K168 IonicContact OD1-NZ 3.5Å; D157-K168 PolarHBondContact OD1-NZ 3.32Å
158L92.9Very high94.3Very high6 Ų663.7 Ų63.73%0.03134%0.337CS..Hα-helixtrans-66.8-38.3177.4177.767.8000112.7L82 L112 R154 V155 G160 W162 F165 L194L82-L158 HydrophobicContact CD1-CD2 3.43Å; L82-L158 VanDerWaalsContact CD1-CD2 3.43Å; L112-L158 HydrophobicContact CD1-CB 3.97Å; L112-L158 HydrophobicContact CD1-CD2 4.25Å; R154-L158 PolarHBondContact O-N 2.89Å; V155-L158 WeakPolarHBondContact O-CB 3.4Å; V155-L158 PolarHBondContact O-N 3.03Å; V155-L158 VanDerWaalsContact O-N 3.1Å; L158-G160 VanDerWaalsContact C-N 3.26Å; L158-G160 PolarHBondContact O-N 2.99Å; L158-W162 HydrophobicContact CD1-CZ3 3.78Å; L158-F165 HydrophobicContact CB-CD2 4.08Å; L158-F165 HydrophobicContact CB-CE2 3.83Å; L158-F165 HydrophobicContact CB-CZ 4.4Å; L158-F165 HydrophobicContact CD1-CD1 4.31Å; L158-F165 HydrophobicContact CD1-CD2 4.46Å; L158-F165 HydrophobicContact CD1-CE1 3.95Å; L158-F165 HydrophobicContact CD1-CE2 4.08Å; L158-F165 HydrophobicContact CD1-CZ 3.82Å; L158-L194 HydrophobicContact CD2-CB 4.42Å
159M91.8Very high94.1Very high82 Ų8258.3 Ų58.340%0.40431%0.305SS..Hα-helixtrans-73.5-17.7177.8-65.8-53.8-59.100113.6V155 L194 V198V155-M159 HydrophobicContact CG1-CG 4.04Å; V155-M159 VanDerWaalsContact O-CG 3.31Å; V155-M159 WeakPolarHBondContact O-CG 3.23Å; V155-M159 PolarHBondContact O-N 3.07Å; M159-L194 WeakPolarHBondContact CE-O 3.46Å; M159-L194 HydrophobicContact SD-CB 4.01Å; M159-V198 HydrophobicContact CE-CG2 4.45Å; M159-V198 HydrophobicContact CG-CB 4.38Å; M159-V198 HydrophobicContact CG-CG1 4.12Å; M159-V198 HydrophobicContact CG-CG2 4.07Å; M159-V198 HydrophobicContact SD-CB 4.45Å; M159-V198 HydrophobicContact SD-CG2 3.79Å
160G89.7Confident93.9Very high48 Ų4860.8 Ų60.850%0.49531%0.31SS..SBendtrans-85-142.1-176.900000113.1C156 D157 L158 W162C156-G160 PolarHBondContact O-N 3.27Å; D157-G160 PolarHBondContact O-N 3.2Å; L158-G160 VanDerWaalsContact C-N 3.26Å; L158-G160 PolarHBondContact O-N 2.99Å; G160-W162 PolarHBondContact O-N 3.19Å
161D91.5Very high93.7Very high79 Ų7954.9 Ų54.942%0.42229%0.293SS..  trans-71.3119.7177.7-176.7-50.2000110.9V163 Q164 F165D161-V163 VanDerWaalsContact C-N 3.32Å; D161-V163 PolarHBondContact O-N 3.38Å; D161-V163 WeakPolarHBondContact OD1-CA 3.45Å; D161-V163 VanDerWaalsContact OD1-CB 3.26Å; D161-V163 WeakPolarHBondContact OD1-CB 3.44Å; D161-V163 PolarHBondContact OD1-N 3.28Å; D161-Q164 HydrophobicContact CB-CB 4.05Å; D161-Q164 HydrophobicContact CB-CG 3.83Å; D161-Q164 PolarHBondContact O-N 3.45Å; D161-Q164 PolarHBondContact OD1-N 2.91Å; D161-F165 PolarHBondContact O-N 2.9Å
162W90.3Very high93.6Very high91 Ų9153.4 Ų53.435%0.34528%0.284SS..Hα-helixtrans-62.2-35.2-178.2-175.1-103.3000113.9L158 G160 F165 T166 L191 K193L158-W162 HydrophobicContact CD1-CZ3 3.78Å; G160-W162 PolarHBondContact O-N 3.19Å; W162-F165 HydrophobicContact CE3-CD1 4.33Å; W162-F165 HydrophobicContact CZ3-CD1 4.33Å; W162-T166 WeakPolarHBondContact O-CB 3.39Å; W162-T166 PolarHBondContact O-N 2.65Å; W162-T166 PolarHBondContact O-OG1 3.25Å; W162-L191 HydrophobicContact CH2-CB 3.5Å; W162-L191 VanDerWaalsContact CH2-CB 3.5Å; W162-L191 HydrophobicContact CH2-CD1 4.2Å; W162-L191 HydrophobicContact CH2-CG 4.49Å; W162-L191 HydrophobicContact CZ2-CB 4.13Å; W162-L191 HydrophobicContact CZ2-CD1 4.24Å; W162-L191 HydrophobicContact CZ3-CB 4.4Å; W162-K193 HydrophobicContact CE3-CG 4.48Å; W162-K193 HydrophobicContact CZ3-CG 4.08Å
163V91.9Very high93.4Very high110 Ų11052.7 Ų52.767%0.66728%0.276SS*.Hα-helixtrans-67.5-43.5177.8-179.60000109.3D161 T166 A167D161-V163 VanDerWaalsContact C-N 3.32Å; D161-V163 PolarHBondContact O-N 3.38Å; D161-V163 WeakPolarHBondContact OD1-CA 3.45Å; D161-V163 VanDerWaalsContact OD1-CB 3.26Å; D161-V163 WeakPolarHBondContact OD1-CB 3.44Å; D161-V163 PolarHBondContact OD1-N 3.28Å; V163-T166 PolarHBondContact O-N 3.5Å; V163-A167 WeakPolarHBondContact O-CB 3.17Å; V163-A167 PolarHBondContact O-N 3.22Å
164Q93.7Very high93.2Very high116 Ų11657.2 Ų57.254%0.54230%0.296SS..Hα-helixtrans-65.4-42.7176.4-63.8-176.425.400112.3D161 A167 K168D161-Q164 HydrophobicContact CB-CB 4.05Å; D161-Q164 HydrophobicContact CB-CG 3.83Å; D161-Q164 PolarHBondContact O-N 3.45Å; D161-Q164 PolarHBondContact OD1-N 2.91Å; Q164-A167 PolarHBondContact O-N 3.14Å; Q164-K168 WeakPolarHBondContact O-CG 3.06Å; Q164-K168 PolarHBondContact O-N 2.98Å
165F93Very high93Very high1 Ų158.3 Ų58.30%0.00430%0.301CS..Hα-helixtrans-57.7-50.4174.9175.7-96.9000111.2L112 F114 L153 D157 L158 D161 W162 A167 K168 Y169 L191L112-F165 HydrophobicContact CD1-CE2 3.98Å; L112-F165 HydrophobicContact CD1-CZ 4.38Å; F114-F165 HydrophobicContact CE1-CZ 4.11Å; F114-F165 HydrophobicContact CZ-CE2 4.32Å; F114-F165 AromaticContact CZ-CZ 3.97Å; F114-F165 HydrophobicContact CZ-CZ 3.97Å; L153-F165 HydrophobicContact CB-CE2 4.33Å; L153-F165 HydrophobicContact CD2-CD2 3.66Å; L153-F165 HydrophobicContact CD2-CE2 3.41Å; L153-F165 VanDerWaalsContact CD2-CE2 3.41Å; L153-F165 HydrophobicContact CD2-CG 4.45Å; L153-F165 HydrophobicContact CD2-CZ 4Å; L153-F165 HydrophobicContact CG-CE2 4.49Å; D157-F165 HydrophobicContact CB-CD2 3.94Å; L158-F165 HydrophobicContact CB-CD2 4.08Å; L158-F165 HydrophobicContact CB-CE2 3.83Å; L158-F165 HydrophobicContact CB-CZ 4.4Å; L158-F165 HydrophobicContact CD1-CD1 4.31Å; L158-F165 HydrophobicContact CD1-CD2 4.46Å; L158-F165 HydrophobicContact CD1-CE1 3.95Å; L158-F165 HydrophobicContact CD1-CE2 4.08Å; L158-F165 HydrophobicContact CD1-CZ 3.82Å; D161-F165 PolarHBondContact O-N 2.9Å; W162-F165 HydrophobicContact CE3-CD1 4.33Å; W162-F165 HydrophobicContact CZ3-CD1 4.33Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 3.21Å; F165-K168 PolarHBondContact O-N 3.46Å; F165-Y169 PolarHBondContact O-N 3.38Å; F165-L191 HydrophobicContact CD1-CD1 4.4Å; F165-L191 HydrophobicContact CE1-CD1 3.68Å; F165-L191 HydrophobicContact CE1-CD2 3.58Å; F165-L191 HydrophobicContact CE1-CG 4.13Å; F165-L191 HydrophobicContact CZ-CD2 3.79Å
166T91Very high92.9Very high33 Ų3358.6 Ų58.620%0.20230%0.302CS..Hα-helixtrans-60.1-41.2179.9-59.30000111.6W162 V163 Y169 K170W162-T166 WeakPolarHBondContact O-CB 3.39Å; W162-T166 PolarHBondContact O-N 2.65Å; W162-T166 PolarHBondContact O-OG1 3.25Å; V163-T166 PolarHBondContact O-N 3.5Å; T166-Y169 PolarHBondContact O-N 3.02Å; T166-K170 HydrophobicContact CG2-CD 4.19Å; T166-K170 WeakPolarHBondContact O-CB 3.41Å; T166-K170 WeakPolarHBondContact O-CG 3.28Å; T166-K170 PolarHBondContact O-N 2.74Å
167A93.4Very high92.7Very high53 Ų5361 Ų6144%0.43831%0.308SS..Hα-helixtrans-62.5-46.8176.300000112V163 Q164 F165 Y169 K170 E171V163-A167 WeakPolarHBondContact O-CB 3.17Å; V163-A167 PolarHBondContact O-N 3.22Å; Q164-A167 PolarHBondContact O-N 3.14Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 3.21Å; A167-Y169 VanDerWaalsContact C-N 3.33Å; A167-Y169 PolarHBondContact O-N 3.45Å; A167-K170 PolarHBondContact O-N 3.34Å; A167-E171 PolarHBondContact O-N 2.85Å
168K95Very high92.6Very high92 Ų9268.6 Ų68.640%0.434%0.335SS..Hα-helixtrans-59.7-43.3175.6-73171.9175.7170.90111.8L153 D157 Q164 F165 E171 L172L153-K168 HydrophobicContact CD1-CB 4.34Å; L153-K168 HydrophobicContact CD2-CB 3.9Å; L153-K168 HydrophobicContact CG-CB 4.12Å; D157-K168 IonicContact OD1-NZ 3.5Å; D157-K168 PolarHBondContact OD1-NZ 3.32Å; Q164-K168 WeakPolarHBondContact O-CG 3.06Å; Q164-K168 PolarHBondContact O-N 2.98Å; F165-K168 PolarHBondContact O-N 3.46Å; K168-E171 PolarHBondContact O-N 3.04Å; K168-L172 PolarHBondContact O-N 3.3Å
169Y93.1Very high92.5Very high1 Ų176.9 Ų76.90%0.00437%0.365CS..Hα-helixtrans-65.8-43-179.9-175.7-126000111.7F114 I116 F165 T166 A167 E171 L172 V173 V187 L191F114-Y169 HydrophobicContact CB-CE2 4.03Å; F114-Y169 HydrophobicContact CD1-CD2 4.47Å; F114-Y169 AromaticContact CD1-CE2 3.87Å; F114-Y169 HydrophobicContact CD1-CE2 3.87Å; F114-Y169 HydrophobicContact CD2-CD2 4.04Å; F114-Y169 AromaticContact CD2-CE2 3.65Å; F114-Y169 HydrophobicContact CD2-CE2 3.65Å; F114-Y169 HydrophobicContact CE1-CD2 4.37Å; F114-Y169 HydrophobicContact CE1-CE2 4.22Å; F114-Y169 AromaticContact CE2-CD2 3.94Å; F114-Y169 HydrophobicContact CE2-CD2 3.94Å; F114-Y169 HydrophobicContact CE2-CE2 4.02Å; F114-Y169 HydrophobicContact CG-CD2 4.31Å; F114-Y169 AromaticContact CG-CE2 3.58Å; F114-Y169 HydrophobicContact CG-CE2 3.58Å; F114-Y169 HydrophobicContact CZ-CD2 4.11Å; F114-Y169 HydrophobicContact CZ-CE2 4.29Å; I116-Y169 HydrophobicContact CD1-CE2 3.89Å; I116-Y169 HydrophobicContact CG1-CE2 4.34Å; F165-Y169 PolarHBondContact O-N 3.38Å; T166-Y169 PolarHBondContact O-N 3.02Å; A167-Y169 VanDerWaalsContact C-N 3.33Å; A167-Y169 PolarHBondContact O-N 3.45Å; Y169-E171 VanDerWaalsContact C-N 3.31Å; Y169-E171 PolarHBondContact O-N 2.8Å; Y169-L172 HydrophobicContact CD2-CD2 4.48Å; Y169-L172 WeakPolarHBondContact O-CB 3.42Å; Y169-L172 PolarHBondContact O-N 2.68Å; Y169-V173 HydrophobicContact CE1-CG2 4.35Å; Y169-V173 HydrophobicContact CE2-CG2 4.19Å; Y169-V173 WeakPolarHBondContact O-CG2 3.35Å; Y169-V173 PolarHBondContact O-N 3.2Å; Y169-V187 HydrophobicContact CD1-CG1 3.57Å; Y169-V187 HydrophobicContact CE1-CB 4.35Å; Y169-V187 HydrophobicContact CE1-CG1 3.38Å; Y169-V187 WeakPolarHBondContact CE1-O 3.5Å; Y169-L191 HydrophobicContact CD1-CD1 4.28Å
170K92Very high92.4Very high113 Ų11374.3 Ų74.349%0.49135%0.352SS..Hα-helixtrans-59.5-40.3174.2-75.4176.8177.7-1790112.3T166 A167 V173 K174 V187T166-K170 HydrophobicContact CG2-CD 4.19Å; T166-K170 WeakPolarHBondContact O-CB 3.41Å; T166-K170 WeakPolarHBondContact O-CG 3.28Å; T166-K170 PolarHBondContact O-N 2.74Å; A167-K170 PolarHBondContact O-N 3.34Å; K170-V173 PolarHBondContact O-N 2.62Å; K170-K174 WeakPolarHBondContact O-CB 3.45Å; K170-K174 PolarHBondContact O-N 3.45Å; K170-V187 HydrophobicContact CG-CG1 4.47Å
171E94.3Very high92.3Very high111 Ų11177.3 Ų77.352%0.51936%0.362SS..Hα-helixtrans-67.8-38.5175.4-74-59.4129.400112.5A167 K168 Y169 K174 Y175A167-E171 PolarHBondContact O-N 2.85Å; K168-E171 PolarHBondContact O-N 3.04Å; Y169-E171 VanDerWaalsContact C-N 3.31Å; Y169-E171 PolarHBondContact O-N 2.8Å; E171-K174 PolarHBondContact O-N 3.43Å; E171-K174 IonicContact OE1-NZ 3.52Å; E171-K174 IonicContact OE2-NZ 3.8Å; E171-Y175 WeakPolarHBondContact O-CB 3.4Å; E171-Y175 PolarHBondContact O-N 3.02Å
172L94.4Very high92Very high3 Ų382.7 Ų82.72%0.01638%0.382CS..Hα-helixtrans-59.8-47.8171.5173.860.3000111.2F114 I116 N151 L153 K168 Y169 K174 Y175 V176F114-L172 HydrophobicContact CD2-CD2 4.23Å; F114-L172 HydrophobicContact CE2-CD2 4.33Å; I116-L172 HydrophobicContact CD1-CD2 3.77Å; I116-L172 HydrophobicContact CD1-CG 3.74Å; N151-L172 HydrophobicContact CB-CD1 4.37Å; L153-L172 HydrophobicContact CD1-CB 4.14Å; L153-L172 HydrophobicContact CD1-CD2 3.73Å; K168-L172 PolarHBondContact O-N 3.3Å; Y169-L172 HydrophobicContact CD2-CD2 4.48Å; Y169-L172 WeakPolarHBondContact O-CB 3.42Å; Y169-L172 PolarHBondContact O-N 2.68Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 2.93Å; L172-Y175 WeakPolarHBondContact O-CB 3.39Å; L172-Y175 PolarHBondContact O-N 3.17Å; L172-V176 HydrophobicContact CD1-CG2 4.19Å; L172-V176 WeakPolarHBondContact O-CG2 3.42Å; L172-V176 PolarHBondContact O-N 3.04Å
173V92.7Very high91.7Very high7 Ų778.8 Ų78.84%0.04237%0.368CS..Hα-helixtrans-59.1-44.6176.9173.70000111.1I116 Y169 K170 Y175 V176 K177 V187I116-V173 HydrophobicContact CD1-CG2 4.09Å; I116-V173 HydrophobicContact CG2-CG2 4.25Å; Y169-V173 HydrophobicContact CE1-CG2 4.35Å; Y169-V173 HydrophobicContact CE2-CG2 4.19Å; Y169-V173 WeakPolarHBondContact O-CG2 3.35Å; Y169-V173 PolarHBondContact O-N 3.2Å; K170-V173 PolarHBondContact O-N 2.62Å; V173-Y175 PolarHBondContact O-N 2.84Å; V173-V176 PolarHBondContact O-N 2.89Å; V173-K177 HydrophobicContact CG1-CD 4.11Å; V173-K177 HydrophobicContact CG1-CG 4.31Å; V173-K177 WeakPolarHBondContact O-CB 3.36Å; V173-K177 WeakPolarHBondContact O-CG 3.18Å; V173-K177 PolarHBondContact O-N 2.68Å; V173-V187 HydrophobicContact CB-CG2 4.29Å; V173-V187 HydrophobicContact CG1-CG2 3.76Å; V173-V187 HydrophobicContact CG2-CG1 4.1Å; V173-V187 HydrophobicContact CG2-CG2 3.87Å
174K92.5Very high90.9Very high99 Ų9977.2 Ų77.243%0.4337%0.374SS..Hα-helixtrans-62.3-42177.6-178.1-177.5177-173.60111.9K170 E171 L172 K177 R178K170-K174 WeakPolarHBondContact O-CB 3.45Å; K170-K174 PolarHBondContact O-N 3.45Å; E171-K174 PolarHBondContact O-N 3.43Å; E171-K174 IonicContact OE1-NZ 3.52Å; E171-K174 IonicContact OE2-NZ 3.8Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 2.93Å; K174-K177 PolarHBondContact O-N 3.27Å; K174-R178 WeakPolarHBondContact O-CG 3.4Å; K174-R178 PolarHBondContact O-N 3.47Å
175Y93.9Very high89.7Confident113 Ų11373.1 Ų73.144%0.44336%0.355SS..Hα-helixtrans-58.6-49.1174177.4-85.8000110.9T149 N151 E171 L172 V173 R178T149-Y175 HydrophobicContact CG2-CE1 4.44Å; N151-Y175 WeakPolarHBondContact ND2-CD1 3.09Å; N151-Y175 VanDerWaalsContact ND2-CE1 3.31Å; N151-Y175 WeakPolarHBondContact ND2-CE1 3.35Å; E171-Y175 WeakPolarHBondContact O-CB 3.4Å; E171-Y175 PolarHBondContact O-N 3.02Å; L172-Y175 WeakPolarHBondContact O-CB 3.39Å; L172-Y175 PolarHBondContact O-N 3.17Å; V173-Y175 PolarHBondContact O-N 2.84Å; Y175-R178 PolarHBondContact O-N 3.2Å
176V92.7Very high88.5Confident6 Ų677.1 Ų77.14%0.03638%0.377CS..Hα-helixtrans-63-46.4179.3172.60000111.4I120 L172 V173 R178 R179 Y180 L183I120-V176 HydrophobicContact CD1-CB 4.27Å; I120-V176 HydrophobicContact CD1-CG1 3.4Å; I120-V176 HydrophobicContact CD1-CG2 3.78Å; I120-V176 HydrophobicContact CG1-CG1 3.75Å; L172-V176 HydrophobicContact CD1-CG2 4.19Å; L172-V176 WeakPolarHBondContact O-CG2 3.42Å; L172-V176 PolarHBondContact O-N 3.04Å; V173-V176 PolarHBondContact O-N 2.89Å; V176-R178 PolarHBondContact O-N 3.07Å; V176-R179 WeakPolarHBondContact O-CA 3.49Å; V176-R179 PolarHBondContact O-N 2.71Å; V176-Y180 HydrophobicContact CG1-CD2 3.84Å; V176-Y180 WeakPolarHBondContact O-CD2 3.49Å; V176-Y180 PolarHBondContact O-N 3.13Å; V176-L183 HydrophobicContact CG1-CD2 3.62Å
177K91.5Very high87.1Confident91 Ų9177 Ų7740%0.39638%0.376SS..Hα-helixtrans-60.1-27.6-178.9-79.9-173.7174.6-176.30113.7V173 K174 R179 Y180 P181 L183V173-K177 HydrophobicContact CG1-CD 4.11Å; V173-K177 HydrophobicContact CG1-CG 4.31Å; V173-K177 WeakPolarHBondContact O-CB 3.36Å; V173-K177 WeakPolarHBondContact O-CG 3.18Å; V173-K177 PolarHBondContact O-N 2.68Å; K174-K177 PolarHBondContact O-N 3.27Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.43Å; K177-Y180 CarbonylContact O-C 3.38Å; K177-P181 WeakPolarHBondContact O-CA 3.35Å; K177-L183 HydrophobicContact CG-CD2 4.47Å
178R92.7Very high85.4Confident185 Ų18581.9 Ų81.970%0.69839%0.39SS*.Hα-helixtrans-64.3-34.5172.7-71.2171.7178.6173.6-1.7112.4K174 Y175 V176K174-R178 WeakPolarHBondContact O-CG 3.4Å; K174-R178 PolarHBondContact O-N 3.47Å; Y175-R178 PolarHBondContact O-N 3.2Å; V176-R178 PolarHBondContact O-N 3.07Å
179R90.6Very high83.5Confident180 Ų18085.4 Ų85.468%0.67941%0.407SS*.Hα-helixtrans-89.8-31.5179.9-170.1172.1-177.283.40.2112.6V176 K177V176-R179 WeakPolarHBondContact O-CA 3.49Å; V176-R179 PolarHBondContact O-N 2.71Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.43Å
180Y91Very high81.8Confident29 Ų2987.3 Ų87.311%0.11442%0.421CS..  trans-125.378.1179.1-51.9-89.5000110.3I120 M123 E124 V176 K177 K182 L183I120-Y180 HydrophobicContact CG1-CD2 4.18Å; I120-Y180 HydrophobicContact CG1-CE2 4.22Å; I120-Y180 HydrophobicContact CG2-CE1 4.32Å; I120-Y180 HydrophobicContact CG2-CE2 3.96Å; M123-Y180 HydrophobicContact CE-CD1 4.16Å; M123-Y180 HydrophobicContact SD-CD1 4.4Å; E124-Y180 HydrophobicContact CG-CE1 4.22Å; E124-Y180 PolarHBondContact OE1-OH 3.4Å; V176-Y180 HydrophobicContact CG1-CD2 3.84Å; V176-Y180 WeakPolarHBondContact O-CD2 3.49Å; V176-Y180 PolarHBondContact O-N 3.13Å; K177-Y180 CarbonylContact O-C 3.38Å; Y180-K182 PolarHBondContact O-N 3.44Å; Y180-K182 VanDerWaalsContact O-N 3.12Å; Y180-L183 VanDerWaalsContact O-CB 3.27Å; Y180-L183 WeakPolarHBondContact O-CB 3.49Å; Y180-L183 PolarHBondContact O-N 2.74Å; Y180-L183 VanDerWaalsContact O-N 3.09Å
181P87.3Confident80.5Confident111 Ų11183.8 Ų83.872%0.72141%0.407SS*.THydrogen-bonded Turntrans-61.7-22.6-175.9-25.635.4000114.7K177 L183K177-P181 WeakPolarHBondContact O-CA 3.35Å; P181-L183 VanDerWaalsContact C-N 3.28Å; P181-L183 PolarHBondContact O-N 3.31Å
182K84.9Confident79.2Confident192 Ų19284.1 Ų84.184%0.83541%0.409SS*.THydrogen-bonded Turntrans-81.50.9178.4-63-175.8179.8-179.90113.9M123 Y180 G184M123-K182 HydrophobicContact CE-CB 4.31Å; Y180-K182 PolarHBondContact O-N 3.44Å; Y180-K182 VanDerWaalsContact O-N 3.12Å; K182-G184 PolarHBondContact O-N 3.37Å
183L83.4Confident78Confident8 Ų891.1 Ų91.14%0.04244%0.439CS..  trans-68102.8-176.3-170.477.2000111.8I116 E119 M123 V176 K177 Y180 P181 I185I116-L183 HydrophobicContact CB-CD2 4.43Å; I116-L183 HydrophobicContact CG2-CD2 4.18Å; E119-L183 HydrophobicContact CB-CD1 3.78Å; E119-L183 HydrophobicContact CG-CD1 3.31Å; M123-L183 HydrophobicContact SD-CD1 4.07Å; V176-L183 HydrophobicContact CG1-CD2 3.62Å; K177-L183 HydrophobicContact CG-CD2 4.47Å; Y180-L183 VanDerWaalsContact O-CB 3.27Å; Y180-L183 WeakPolarHBondContact O-CB 3.49Å; Y180-L183 PolarHBondContact O-N 2.74Å; Y180-L183 VanDerWaalsContact O-N 3.09Å; P181-L183 VanDerWaalsContact C-N 3.28Å; P181-L183 PolarHBondContact O-N 3.31Å; L183-I185 HydrophobicContact CD1-CD1 3.91Å; L183-I185 HydrophobicContact CD1-CG1 4.39Å; L183-I185 HydrophobicContact CD2-CD1 4.46Å; L183-I185 HydrophobicContact CG-CD1 4.2Å; L183-I185 HydrophobicContact CG-CG1 4.34Å; L183-I185 PolarHBondContact O-N 2.86Å
184G75Confident77.3Confident77 Ų7790.9 Ų90.979%0.79444%0.438SS*.  trans-94.374176.900000112.6K182K182-G184 PolarHBondContact O-N 3.37Å
185I70.5Confident76.5Confident31 Ų3190.5 Ų90.516%0.15945%0.448CS..  trans-118.8134.7175.7-70.3174.6000111.2D115 I116 E119 L183D115-I185 HydrophobicContact CB-CD1 4.45Å; I116-I185 VanDerWaalsContact CA-CD1 3.48Å; I116-I185 HydrophobicContact CB-CD1 4.23Å; I116-I185 HydrophobicContact CG2-CB 4.21Å; I116-I185 HydrophobicContact CG2-CD1 3.79Å; I116-I185 HydrophobicContact CG2-CG2 3.89Å; E119-I185 HydrophobicContact CB-CD1 3.54Å; E119-I185 HydrophobicContact CG-CD1 4.02Å; L183-I185 HydrophobicContact CD1-CD1 3.91Å; L183-I185 HydrophobicContact CD1-CG1 4.39Å; L183-I185 HydrophobicContact CD2-CD1 4.46Å; L183-I185 HydrophobicContact CG-CD1 4.2Å; L183-I185 HydrophobicContact CG-CG1 4.34Å; L183-I185 PolarHBondContact O-N 2.86Å
186N67.4Low76.2Confident85 Ų8588.6 Ų88.646%0.45546%0.462SS..  trans-76.3116.7166.9-170.6-3.2000109.4E188N186-E188 PolarHBondContact O-N 3.38Å; N186-E188 PolarHBondContact OD1-N 3.33Å; N186-E188 VanDerWaalsContact OD1-N 3.17Å
187V61.1Low76.3Confident29 Ų2989 Ų8918%0.17646%0.463CS..SBendtrans-72.7-18.9-176.3-1790000111.3Y169 K170 V173Y169-V187 HydrophobicContact CD1-CG1 3.57Å; Y169-V187 HydrophobicContact CE1-CB 4.35Å; Y169-V187 HydrophobicContact CE1-CG1 3.38Å; Y169-V187 WeakPolarHBondContact CE1-O 3.5Å; K170-V187 HydrophobicContact CG-CG1 4.47Å; V173-V187 HydrophobicContact CB-CG2 4.29Å; V173-V187 HydrophobicContact CG1-CG2 3.76Å; V173-V187 HydrophobicContact CG2-CG1 4.1Å; V173-V187 HydrophobicContact CG2-CG2 3.87Å
188E58.1Low76.5Confident157 Ų15786.4 Ų86.473%0.73446%0.455SS*.SBendtrans-89.3-19-166.9-61.2-168.6161.100114.8N186N186-E188 PolarHBondContact O-N 3.38Å; N186-E188 PolarHBondContact OD1-N 3.33Å; N186-E188 VanDerWaalsContact OD1-N 3.17Å
189E54.5Low76.7Confident165 Ų16578.9 Ų78.977%0.77143%0.431SS*.SBendtrans-91.2-6.6-163.7-81.8179.316100117.4
190S57.9Low77Confident41 Ų4172.7 Ų72.729%0.28741%0.411SS..  trans-115.921.6-167.354.20000117.1D115D115-S190 VanDerWaalsContact OD2-CB 3.25Å; D115-S190 WeakPolarHBondContact OD2-CB 3.07Å; D115-S190 PolarHBondContact OD2-OG 3.01Å
191L63.2Low77.3Confident39 Ų3971.3 Ų71.320%0.20441%0.406CS..  trans-11393.7-171.3-56.2174.1000113.1F114 W162 F165 Y169F114-L191 HydrophobicContact CD1-CD2 4.33Å; F114-L191 HydrophobicContact CE1-CD2 3.87Å; W162-L191 HydrophobicContact CH2-CB 3.5Å; W162-L191 VanDerWaalsContact CH2-CB 3.5Å; W162-L191 HydrophobicContact CH2-CD1 4.2Å; W162-L191 HydrophobicContact CH2-CG 4.49Å; W162-L191 HydrophobicContact CZ2-CB 4.13Å; W162-L191 HydrophobicContact CZ2-CD1 4.24Å; W162-L191 HydrophobicContact CZ3-CB 4.4Å; F165-L191 HydrophobicContact CD1-CD1 4.4Å; F165-L191 HydrophobicContact CE1-CD1 3.68Å; F165-L191 HydrophobicContact CE1-CD2 3.58Å; F165-L191 HydrophobicContact CE1-CG 4.13Å; F165-L191 HydrophobicContact CZ-CD2 3.79Å; Y169-L191 HydrophobicContact CD1-CD1 4.28Å
192E68Low77.8Confident119 Ų11967.9 Ų67.956%0.55638%0.383SS*.PPolyproline II helixtrans-93.5140.2168.8-69.3-174.2164.400111.4F86 L194F86-E192 VanDerWaalsContact CD2-OE2 3.28Å; F86-E192 WeakPolarHBondContact CD2-OE2 3.43Å; F86-E192 HydrophobicContact CE2-CB 4.38Å; F86-E192 WeakPolarHBondContact CE2-OE2 3.47Å; E192-L194 PolarHBondContact O-N 2.97Å
193K68.5Low78.4Confident149 Ų14964.1 Ų64.165%0.64837%0.371SS*.PPolyproline II helixtrans-76.3124.4172.7-72.8-174.1178.5-1790109.7W162W162-K193 HydrophobicContact CE3-CG 4.48Å; W162-K193 HydrophobicContact CZ3-CG 4.08Å
194L79Confident79Confident3 Ų365.7 Ų65.72%0.01638%0.379CS..PPolyproline II helixtrans-78140.8167.6-16861.7000108.9L82 F86 I106 V155 L158 M159 E192 M197 V198L82-L194 HydrophobicContact CD2-CD1 4.39Å; L82-L194 HydrophobicContact CD2-CD2 4.04Å; F86-L194 HydrophobicContact CE1-CD1 3.79Å; F86-L194 HydrophobicContact CZ-CD1 3.61Å; I106-L194 HydrophobicContact CD1-CD1 4.21Å; I106-L194 HydrophobicContact CD1-CD2 3.86Å; V155-L194 HydrophobicContact CG1-CD2 4.04Å; L158-L194 HydrophobicContact CD2-CB 4.42Å; M159-L194 WeakPolarHBondContact CE-O 3.46Å; M159-L194 HydrophobicContact SD-CB 4.01Å; E192-L194 PolarHBondContact O-N 2.97Å; L194-M197 HydrophobicContact CD1-CE 3.85Å; L194-V198 HydrophobicContact CB-CG2 4.3Å; L194-V198 HydrophobicContact CD2-CG2 3.28Å; L194-V198 HydrophobicContact CG-CG2 3.63Å
195S76.2Confident80Confident91 Ų9162.1 Ų62.164%0.63634%0.341SS*.  trans-151.4156.8169.670.10000111M197S195-M197 PolarHBondContact O-N 3.47Å
196G85.9Confident81.1Confident72 Ų7262.6 Ų62.674%0.74234%0.344SS*.SBendtrans78.5-30.8177.600000116.6
197M94.7Very high82.4Confident14 Ų1466.1 Ų66.17%0.06936%0.356CS..SBendtrans-97.2-12.6-177.9-66.9-176.6-79.300114.6F86 I89 S101 L104 R105 I106 L194 S195F86-M197 HydrophobicContact CE1-CE 3.86Å; I89-M197 HydrophobicContact CD1-CE 4.39Å; I89-M197 HydrophobicContact CD1-SD 4.27Å; S101-M197 VanDerWaalsContact O-CG 3.3Å; S101-M197 WeakPolarHBondContact O-CG 3.01Å; L104-M197 HydrophobicContact CB-SD 4.09Å; L104-M197 HydrophobicContact CD2-SD 3.78Å; L104-M197 HydrophobicContact CG-SD 4.22Å; R105-M197 CarbonylContact C-O 3.56Å; R105-M197 VanDerWaalsContact CA-O 3.26Å; R105-M197 WeakPolarHBondContact CA-O 3.3Å; I106-M197 HydrophobicContact CD1-CB 3.92Å; I106-M197 HydrophobicContact CG1-CB 4.38Å; I106-M197 PolarHBondContact N-O 2.8Å; L194-M197 HydrophobicContact CD1-CE 3.85Å; S195-M197 PolarHBondContact O-N 3.47Å
198V96.5Very high84Confident37 Ų3766.7 Ų66.722%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-82.7139.7-173.6-175.90000111.7I106 D108 V155 M159 L194I106-V198 WeakPolarHBondContact O-CA 3.26Å; D108-V198 HydrophobicContact CB-CG1 3.84Å; V155-V198 HydrophobicContact CG1-CB 4.4Å; V155-V198 HydrophobicContact CG1-CG1 3.72Å; V155-V198 HydrophobicContact CG1-CG2 3.69Å; M159-V198 HydrophobicContact CE-CG2 4.45Å; M159-V198 HydrophobicContact CG-CB 4.38Å; M159-V198 HydrophobicContact CG-CG1 4.12Å; M159-V198 HydrophobicContact CG-CG2 4.07Å; M159-V198 HydrophobicContact SD-CB 4.45Å; M159-V198 HydrophobicContact SD-CG2 3.79Å; L194-V198 HydrophobicContact CB-CG2 4.3Å; L194-V198 HydrophobicContact CD2-CG2 3.28Å; L194-V198 HydrophobicContact CG-CG2 3.63Å
199C96.6Very high85.6Confident28 Ų2859.3 Ų59.319%0.18932%0.323CS..EExtended strand (participates in β ladder)trans-150.6167.5173.1730000112.9I106 D108 S201I106-C199 PolarHBondContact O-N 2.97Å; D108-C199 PolarHBondContact N-O 2.97Å; C199-S201 PolarHBondContact O-N 2.56Å; C199-S201 VanDerWaalsContact O-N 3.1Å
200D97.7Very high87.2Confident50 Ų5058.2 Ų58.227%0.26732%0.316SS..  trans-73.595.6160-170.8-40.7000109R109 V202 I203 L204R109-D200 IonicContact CZ-OD1 2.93Å; R109-D200 IonicContact CZ-OD2 3.97Å; R109-D200 IonicContact NH1-OD1 2.79Å; R109-D200 PolarHBondContact NH1-OD1 3.39Å; R109-D200 VanDerWaalsContact NH1-OD1 3.17Å; R109-D200 IonicContact NH1-OD2 3.03Å; R109-D200 PolarHBondContact NH1-OD2 2.92Å; R109-D200 IonicContact NH2-OD1 3.75Å; R109-D200 IonicContact NH2-OD2 3.93Å; R109-D200 PolarHBondContact NH2-OD2 2.9Å; D200-V202 PolarHBondContact O-N 3.21Å; D200-V202 WeakPolarHBondContact OD1-CB 3.47Å; D200-V202 PolarHBondContact OD1-N 3.15Å; D200-I203 HydrophobicContact CB-CB 4.3Å; D200-I203 HydrophobicContact CB-CG1 4.29Å; D200-I203 PolarHBondContact O-N 3.5Å; D200-I203 PolarHBondContact OD1-N 2.85Å; D200-L204 WeakPolarHBondContact O-CB 3.48Å; D200-L204 PolarHBondContact O-N 3.17Å
201S97.3Very high88.6Confident0 Ų058.7 Ų58.70%032%0.319CS..Hα-helixtrans-65.3-28.2-17866.90000112.8S107 C199 L204 I205S107-S201 WeakPolarHBondContact CB-OG 3.12Å; S107-S201 PolarHBondContact OG-OG 2.84Å; C199-S201 PolarHBondContact O-N 2.56Å; C199-S201 VanDerWaalsContact O-N 3.1Å; S201-L204 PolarHBondContact O-N 2.68Å; S201-I205 WeakPolarHBondContact O-CB 3.18Å; S201-I205 VanDerWaalsContact O-CG1 3.31Å; S201-I205 WeakPolarHBondContact O-CG1 3.32Å; S201-I205 PolarHBondContact O-N 3.42Å
202V97.1Very high89.1Confident38 Ų3864.6 Ų64.623%0.2334%0.343CS..Hα-helixtrans-68.6-47.2-178.8179.50000109.2D200 N206D200-V202 PolarHBondContact O-N 3.21Å; D200-V202 WeakPolarHBondContact OD1-CB 3.47Å; D200-V202 PolarHBondContact OD1-N 3.15Å; V202-N206 VanDerWaalsContact O-CB 3.29Å; V202-N206 WeakPolarHBondContact O-CB 3.35Å; V202-N206 PolarHBondContact O-N 3.09Å; V202-N206 VanDerWaalsContact O-N 3.09Å; V202-N206 PolarHBondContact O-ND2 2.77Å
203I97.1Very high89.4Confident114 Ų11467.2 Ų67.259%0.58536%0.355SS*.Hα-helixtrans-64.4-44.5175.2-62.6-60.7000110.7D200 K207D200-I203 HydrophobicContact CB-CB 4.3Å; D200-I203 HydrophobicContact CB-CG1 4.29Å; D200-I203 PolarHBondContact O-N 3.5Å; D200-I203 PolarHBondContact OD1-N 2.85Å; I203-K207 VanDerWaalsContact O-CB 3.27Å; I203-K207 WeakPolarHBondContact O-CB 3.49Å; I203-K207 PolarHBondContact O-N 2.94Å
204L96.6Very high90Very high41 Ų4160.6 Ų60.622%0.21533%0.329CS..Hα-helixtrans-57.8-55.7179.917861.5000111.7L71 V73 R105 D200 S201 K207 L208L71-L204 HydrophobicContact CD2-CD2 4.46Å; V73-L204 HydrophobicContact CG2-CD2 4.27Å; R105-L204 HydrophobicContact CB-CD2 4.04Å; R105-L204 HydrophobicContact CG-CD2 4.04Å; D200-L204 WeakPolarHBondContact O-CB 3.48Å; D200-L204 PolarHBondContact O-N 3.17Å; S201-L204 PolarHBondContact O-N 2.68Å; L204-K207 PolarHBondContact O-N 2.73Å; L204-L208 HydrophobicContact CD1-CD1 3.67Å; L204-L208 HydrophobicContact CD1-CG 4.13Å; L204-L208 HydrophobicContact CG-CD1 3.77Å; L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 2.83Å
205I95.7Very high90.6Very high1 Ų164.8 Ų64.81%0.00535%0.351CS..Hα-helixtrans-65.1-42.9-177.3-67.5-60.5000111.3V35 C37 V73 S201 K207 L208 V209 L252V35-I205 HydrophobicContact CG1-CD1 4.3Å; C37-I205 VanDerWaalsContact SG-CD1 3.52Å; V73-I205 HydrophobicContact CB-CD1 4.3Å; V73-I205 HydrophobicContact CG1-CD1 4.17Å; V73-I205 HydrophobicContact CG1-CG1 4.34Å; V73-I205 HydrophobicContact CG2-CD1 4.05Å; S201-I205 WeakPolarHBondContact O-CB 3.18Å; S201-I205 VanDerWaalsContact O-CG1 3.31Å; S201-I205 WeakPolarHBondContact O-CG1 3.32Å; S201-I205 PolarHBondContact O-N 3.42Å; I205-K207 VanDerWaalsContact C-N 3.25Å; I205-K207 PolarHBondContact O-N 3Å; I205-L208 PolarHBondContact O-N 2.91Å; I205-V209 WeakPolarHBondContact O-CB 3.47Å; I205-V209 PolarHBondContact O-N 2.81Å; I205-L252 HydrophobicContact CG2-CD1 4.01Å
206N94.8Very high91.6Very high41 Ų4160.7 Ų60.722%0.21932%0.322CS..Hα-helixtrans-70.6-20.2179.1-77.7-82.2000113.5V202 K210 G251V202-N206 VanDerWaalsContact O-CB 3.29Å; V202-N206 WeakPolarHBondContact O-CB 3.35Å; V202-N206 PolarHBondContact O-N 3.09Å; V202-N206 VanDerWaalsContact O-N 3.09Å; V202-N206 PolarHBondContact O-ND2 2.77Å; N206-K210 WeakPolarHBondContact O-CD 3.49Å; N206-K210 WeakPolarHBondContact O-CE 3.28Å; N206-K210 WeakPolarHBondContact O-CG 3.28Å; N206-G251 PolarHBondContact ND2-O 2.83Å
207K94.2Very high92.2Very high160 Ų16057.3 Ų57.370%0.69629%0.287SS*.Hα-helixtrans-77.7-49.4168.4-177.6-178.8178.8-177.50110.7I203 L204 I205 V209 K210I203-K207 VanDerWaalsContact O-CB 3.27Å; I203-K207 WeakPolarHBondContact O-CB 3.49Å; I203-K207 PolarHBondContact O-N 2.94Å; L204-K207 PolarHBondContact O-N 2.73Å; I205-K207 VanDerWaalsContact C-N 3.25Å; I205-K207 PolarHBondContact O-N 3Å; K207-V209 PolarHBondContact O-N 3.24Å; K207-K210 PolarHBondContact O-N 3.34Å
208L94.3Very high92.3Very high40 Ų4056.7 Ų56.721%0.20928%0.284CS..Hα-helixtrans-60.2-47.4-178.8-71.9167.9000111V35 L71 L204 I205 K210 S211 A214 I216V35-L208 HydrophobicContact CG1-CD1 4.42Å; V35-L208 HydrophobicContact CG2-CD1 3.94Å; L71-L208 HydrophobicContact CD2-CD1 3.97Å; L204-L208 HydrophobicContact CD1-CD1 3.67Å; L204-L208 HydrophobicContact CD1-CG 4.13Å; L204-L208 HydrophobicContact CG-CD1 3.77Å; L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.41Å; L204-L208 PolarHBondContact O-N 2.83Å; I205-L208 PolarHBondContact O-N 2.91Å; L208-K210 PolarHBondContact O-N 3.31Å; L208-S211 VanDerWaalsContact O-CB 3.22Å; L208-S211 WeakPolarHBondContact O-CB 3.32Å; L208-S211 PolarHBondContact O-N 2.64Å; L208-A214 HydrophobicContact CB-CB 4.24Å; L208-A214 WeakPolarHBondContact O-CB 3.24Å; L208-I216 HydrophobicContact CB-CD1 3.96Å
209V92.1Very high92.4Very high2 Ų255 Ų551%0.01227%0.273CS..THydrogen-bonded Turntrans-58.7-26.7-177.679.50000112.9G7 V9 I205 K207 S211 I216 L252 R256G7-V209 WeakPolarHBondContact CA-O 3.4Å; G7-V209 WeakPolarHBondContact O-CG2 3.09Å; V9-V209 HydrophobicContact CG1-CG2 3.78Å; I205-V209 WeakPolarHBondContact O-CB 3.47Å; I205-V209 PolarHBondContact O-N 2.81Å; K207-V209 PolarHBondContact O-N 3.24Å; V209-S211 VanDerWaalsContact C-N 3.34Å; V209-I216 HydrophobicContact CB-CD1 3.94Å; V209-I216 HydrophobicContact CG2-CD1 4.33Å; V209-L252 HydrophobicContact CG1-CD1 4.48Å; V209-R256 HydrophobicContact CG2-CB 4.41Å
210K88.8Confident92.4Very high143 Ų14353.6 Ų53.662%0.62226%0.264SS*.THydrogen-bonded Turntrans-81.3-13177.2-65.5174-174.2173.70113.3N206 K207 L208N206-K210 WeakPolarHBondContact O-CD 3.49Å; N206-K210 WeakPolarHBondContact O-CE 3.28Å; N206-K210 WeakPolarHBondContact O-CG 3.28Å; K207-K210 PolarHBondContact O-N 3.34Å; L208-K210 PolarHBondContact O-N 3.31Å
211S85.7Confident92.2Very high50 Ų5051.4 Ų51.435%0.3525%0.253SS..SBendtrans-76.7129.2175.8178.80000109.8L208 V209 Q213 A214L208-S211 VanDerWaalsContact O-CB 3.22Å; L208-S211 WeakPolarHBondContact O-CB 3.32Å; L208-S211 PolarHBondContact O-N 2.64Å; V209-S211 VanDerWaalsContact C-N 3.34Å; S211-Q213 PolarHBondContact O-N 2.93Å; S211-Q213 VanDerWaalsContact O-N 3.1Å; S211-Q213 PolarHBondContact OG-N 2.73Å; S211-A214 PolarHBondContact O-N 3.04Å
212K75.2Confident92Very high163 Ų16352.3 Ų52.371%0.70926%0.257SS*.THydrogen-bonded Turntrans-62.6-16174.5-63.7-166.6175.7-155.60113.6E6E6-K212 VanDerWaalsContact CD-CE 3.49Å; E6-K212 VanDerWaalsContact OE1-CE 3.32Å; E6-K212 WeakPolarHBondContact OE1-CE 2.89Å; E6-K212 IonicContact OE1-NZ 2.74Å; E6-K212 PolarHBondContact OE1-NZ 3.32Å; E6-K212 WeakPolarHBondContact OE2-CE 3.11Å; E6-K212 IonicContact OE2-NZ 2.77Å; E6-K212 PolarHBondContact OE2-NZ 2.81Å
213Q72.6Confident92Very high174 Ų17450.5 Ų50.581%0.81325%0.246SC*.THydrogen-bonded Turntrans-95.8-13-178.4-63177.12.600113S211 N215S211-Q213 PolarHBondContact O-N 2.93Å; S211-Q213 VanDerWaalsContact O-N 3.1Å; S211-Q213 PolarHBondContact OG-N 2.73Å; Q213-N215 PolarHBondContact O-N 3.44Å
214A81.4Confident91.9Very high11 Ų1145 Ų459%0.09122%0.218CC..  trans-93.595.4-173.100000111.3S34 L208 S211 I216S34-A214 VanDerWaalsContact OG-CA 3.3Å; S34-A214 WeakPolarHBondContact OG-CA 3.39Å; L208-A214 HydrophobicContact CB-CB 4.24Å; L208-A214 WeakPolarHBondContact O-CB 3.24Å; S211-A214 PolarHBondContact O-N 3.04Å; A214-I216 PolarHBondContact O-N 3.25Å
215N92.5Very high91.9Very high91 Ų9143.1 Ų43.149%0.48721%0.208SC..  trans-80.4113.9167-71.8-17.8000108.6S32 C33 S34 V35 Q213S32-N215 WeakPolarHBondContact O-CB 3.31Å; S32-N215 PolarHBondContact O-ND2 3.26Å; C33-N215 HydrophobicContact CB-CB 4.46Å; S34-N215 PolarHBondContact N-O 2.77Å; S34-N215 PolarHBondContact OG-N 2.84Å; S34-N215 VanDerWaalsContact OG-N 3.13Å; S34-N215 PolarHBondContact OG-O 2.73Å; V35-N215 PolarHBondContact N-O 2.91Å; V35-N215 VanDerWaalsContact N-O 3.14Å; Q213-N215 PolarHBondContact O-N 3.44Å
216I96.8Very high91.9Very high4 Ų444.7 Ų44.72%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-107.8127.2-177.7-52.6-177.1000109.5V9 S10 V35 L208 V209 A214V9-I216 HydrophobicContact CB-CB 4.25Å; V9-I216 HydrophobicContact CB-CG2 4.37Å; V9-I216 HydrophobicContact CG1-CB 3.9Å; V9-I216 HydrophobicContact CG1-CD1 4.3Å; V9-I216 HydrophobicContact CG1-CG2 4.05Å; S10-I216 PolarHBondContact N-O 3.33Å; V35-I216 HydrophobicContact CB-CB 4.42Å; V35-I216 HydrophobicContact CB-CG1 4.05Å; V35-I216 HydrophobicContact CB-CG2 4.29Å; V35-I216 HydrophobicContact CG1-CG2 4.37Å; V35-I216 HydrophobicContact CG2-CG1 4.22Å; V35-I216 WeakPolarHBondContact O-CA 3.24Å; L208-I216 HydrophobicContact CB-CD1 3.96Å; V209-I216 HydrophobicContact CB-CD1 3.94Å; V209-I216 HydrophobicContact CG2-CD1 4.33Å; A214-I216 PolarHBondContact O-N 3.25Å
217L97.7Very high92Very high2 Ų242.8 Ų42.81%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-110.8126.5172.5-179.164.5000109.9S10 V12 V26 L29 C33 V35 V36 C37S10-L217 CarbonylContact O-C 3.51Å; S10-L217 WeakPolarHBondContact O-CA 3.32Å; V12-L217 HydrophobicContact CG2-CD1 3.83Å; V26-L217 HydrophobicContact CB-CD2 4.46Å; V26-L217 HydrophobicContact CG1-CD2 3.97Å; L29-L217 HydrophobicContact CB-CD1 4.36Å; L29-L217 HydrophobicContact CB-CD2 3.77Å; L29-L217 HydrophobicContact CD1-CD1 4.19Å; C33-L217 HydrophobicContact CB-CB 4.36Å; V35-L217 PolarHBondContact O-N 3.3Å; V36-L217 CarbonylContact C-O 3.55Å; V36-L217 VanDerWaalsContact CA-O 3.32Å; V36-L217 WeakPolarHBondContact CA-O 3.28Å; V36-L217 HydrophobicContact CG1-CB 4.33Å; V36-L217 HydrophobicContact CG1-CD2 4.48Å; C37-L217 PolarHBondContact N-O 3.16Å
218V98.2Very high92.1Very high0 Ų037.6 Ų37.60%019%0.185CC..EExtended strand (participates in β ladder)trans-103.8124173.6-170.70000109.2V9 S10 V11 V12 C37 C39 V246 L250V9-V218 HydrophobicContact CB-CG2 4.33Å; V9-V218 HydrophobicContact CG2-CG2 4.12Å; S10-V218 PolarHBondContact O-N 2.78Å; V11-V218 CarbonylContact C-O 3.58Å; V11-V218 WeakPolarHBondContact CA-O 3.33Å; V11-V218 HydrophobicContact CG2-CB 4.31Å; V12-V218 PolarHBondContact N-O 3.16Å; C37-V218 HydrophobicContact CB-CG1 4.37Å; C37-V218 HydrophobicContact CB-CG2 4.25Å; C39-V218 HydrophobicContact CB-CG1 4.15Å; V218-V246 HydrophobicContact CB-CG1 4.24Å; V218-V246 HydrophobicContact CG1-CB 4.5Å; V218-V246 HydrophobicContact CG1-CG1 3.94Å; V218-V246 HydrophobicContact CG1-CG2 4Å; V218-V246 HydrophobicContact CG2-CG1 4.1Å; V218-L250 HydrophobicContact CB-CD1 4.4Å; V218-L250 HydrophobicContact CG1-CD1 3.84Å; V218-L250 HydrophobicContact CG2-CD1 3.63Å
219E97.5Very high92.2Very high1 Ų140.9 Ų40.91%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-101.4124.5177.1170.9-178.9-136.400110.1V26 C37 R38 H47 P62 S63V26-E219 HydrophobicContact CG1-CB 4.36Å; V26-E219 HydrophobicContact CG2-CB 3.94Å; V26-E219 HydrophobicContact CG2-CG 3.81Å; C37-E219 PolarHBondContact O-N 2.66Å; R38-E219 IonicContact CZ-OE2 3.17Å; R38-E219 IonicContact NE-OE2 2.84Å; R38-E219 PolarHBondContact NE-OE2 2.82Å; R38-E219 IonicContact NH2-OE1 3.49Å; R38-E219 PolarHBondContact NH2-OE1 3.22Å; R38-E219 IonicContact NH2-OE2 3.38Å; R38-E219 PolarHBondContact NH2-OE2 2.89Å; H47-E219 IonicContact CE1-OE1 2.66Å; H47-E219 PolarHBondContact CE1-OE1 2.95Å; H47-E219 VanDerWaalsContact CE1-OE1 3.31Å; H47-E219 IonicContact CG-OE1 2.78Å; H47-E219 IonicContact ND1-OE1 3.31Å; H47-E219 PolarHBondContact ND1-OE1 3.31Å; P62-E219 VanDerWaalsContact CA-OE2 3.3Å; P62-E219 WeakPolarHBondContact CA-OE2 3.44Å; S63-E219 VanDerWaalsContact CB-OE1 3.29Å; S63-E219 WeakPolarHBondContact CB-OE1 3.26Å; S63-E219 PolarHBondContact N-OE2 2.84Å; S63-E219 PolarHBondContact OG-OE1 3.42Å
220G96.5Very high92.4Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-75.2121.716800000112.3V12 K22 Q40 H47 Q222V12-G220 PolarHBondContact O-N 3.13Å; K22-G220 WeakPolarHBondContact CD-O 3.46Å; K22-G220 WeakPolarHBondContact CE-O 3.29Å; Q40-G220 VanDerWaalsContact NE2-CA 3.28Å; H47-G220 PolarHBondContact CE1-O 3.09Å; H47-G220 VanDerWaalsContact CE1-O 3.24Å; G220-Q222 PolarHBondContact O-N 3.25Å
221A93.8Very high92.7Very high4 Ų438.3 Ų38.33%0.03320%0.196CC..EExtended strand (participates in β ladder)trans-63.2-30.7178.300000113.1R38 Q40 A45 H47R38-A221 HydrophobicContact CG-CB 4.1Å; Q40-A221 HydrophobicContact CG-CB 4.46Å; Q40-A221 VanDerWaalsContact O-CB 3.31Å; Q40-A221 WeakPolarHBondContact O-CB 3.49Å; A45-A221 HydrophobicContact CB-CB 3.87Å; A45-A221 VanDerWaalsContact CB-O 3.25Å; A45-A221 WeakPolarHBondContact CB-O 3.31Å; H47-A221 PolarHBondContact NE2-O 3.25Å; H47-A221 VanDerWaalsContact NE2-O 3.11Å
222Q94.5Very high93.1Very high18 Ų1836.1 Ų36.18%0.08418%0.181CC..EExtended strand (participates in β ladder)trans-137.1179.8-179.3-67.5171.3-84.900109.1N44 A45 G220 L226 T237N44-Q222 VanDerWaalsContact ND2-CD 3.29Å; N44-Q222 PolarHBondContact ND2-NE2 3.29Å; N44-Q222 PolarHBondContact ND2-OE1 2.84Å; A45-Q222 HydrophobicContact CB-CG 4.07Å; G220-Q222 PolarHBondContact O-N 3.25Å; Q222-L226 HydrophobicContact CB-CD1 4.34Å; Q222-T237 VanDerWaalsContact NE2-CB 3.32Å; Q222-T237 PolarHBondContact NE2-OG1 3.5Å; Q222-T237 PolarHBondContact OE1-OG1 2.7Å; Q222-T237 VanDerWaalsContact OE1-OG1 3.09Å
223S95.6Very high94Very high0 Ų035.8 Ų35.80%018%0.176CC..EExtended strand (participates in β ladder)trans-112.7162.9-169.7-58.70000112.9G14 Q16 G18 E20 K22 M225 L226 C241G14-S223 WeakPolarHBondContact CA-OG 3.49Å; G14-S223 WeakPolarHBondContact O-CA 3.43Å; G14-S223 WeakPolarHBondContact O-CB 3.42Å; Q16-S223 WeakPolarHBondContact O-CB 3.46Å; G18-S223 VanDerWaalsContact CA-OG 3.24Å; G18-S223 WeakPolarHBondContact CA-OG 3.25Å; G18-S223 VanDerWaalsContact N-CB 3.34Å; G18-S223 PolarHBondContact N-OG 3.25Å; E20-S223 WeakPolarHBondContact OE1-CB 3.34Å; E20-S223 PolarHBondContact OE1-OG 3.1Å; E20-S223 PolarHBondContact OE2-OG 3.09Å; K22-S223 PolarHBondContact NZ-OG 3.47Å; S223-M225 VanDerWaalsContact C-N 3.26Å; S223-M225 PolarHBondContact O-N 2.91Å; S223-M225 VanDerWaalsContact O-N 3.14Å; S223-L226 WeakPolarHBondContact O-CA 3.47Å; S223-L226 WeakPolarHBondContact O-CB 3.44Å; S223-L226 PolarHBondContact O-N 3.17Å; S223-C241 WeakPolarHBondContact O-CB 3.22Å
224C96.3Very high95Very high0 Ų030.1 Ų30.10%015%0.154CC..G310 helixtrans-51.9-40-171.6-165.20000113.4G14 L226 D227 A316G14-C224 PolarHBondContact O-N 2.81Å; C224-L226 PolarHBondContact O-N 2.91Å; C224-D227 WeakPolarHBondContact O-CB 3.28Å; C224-D227 PolarHBondContact O-N 3.12Å; C224-A316 HydrophobicContact CB-CB 3.9Å
225M95.9Very high95.6Very high0 Ų031.6 Ų31.60%016%0.159CC..G310 helixtrans-78.4-2.2-177.7-54.7-54.4-6200114.3Q16 W17 S223 G231 T232 V312 Y315 F357Q16-M225 VanDerWaalsContact O-CB 3.28Å; Q16-M225 WeakPolarHBondContact O-CB 3.46Å; Q16-M225 WeakPolarHBondContact O-CG 3.31Å; Q16-M225 PolarHBondContact O-N 3.48Å; W17-M225 HydrophobicContact CB-CB 4.46Å; W17-M225 VanDerWaalsContact CD1-CB 3.45Å; W17-M225 HydrophobicContact CD2-CB 3.67Å; W17-M225 HydrophobicContact CD2-CG 4.06Å; W17-M225 HydrophobicContact CE3-CB 4.44Å; W17-M225 HydrophobicContact CE3-CG 4.37Å; W17-M225 HydrophobicContact CG-CB 3.65Å; W17-M225 HydrophobicContact CG-CG 4.47Å; W17-M225 HydrophobicContact CZ2-CB 4.25Å; W17-M225 HydrophobicContact CZ2-CE 4.01Å; W17-M225 HydrophobicContact CZ2-CG 4.31Å; S223-M225 VanDerWaalsContact C-N 3.26Å; S223-M225 PolarHBondContact O-N 2.91Å; S223-M225 VanDerWaalsContact O-N 3.14Å; M225-G231 WeakPolarHBondContact O-CA 3.24Å; M225-T232 HydrophobicContact CE-CG2 4.2Å; M225-T232 PolarHBondContact O-N 2.95Å; M225-T232 VanDerWaalsContact O-N 3.12Å; M225-V312 HydrophobicContact CE-CG1 4.49Å; M225-V312 HydrophobicContact CG-CG1 3.54Å; M225-V312 HydrophobicContact SD-CG1 3.84Å; M225-Y315 HydrophobicContact CE-CD1 4.27Å; M225-Y315 HydrophobicContact CE-CE1 4.43Å; M225-Y315 HydrophobicContact SD-CD1 3.88Å; M225-Y315 HydrophobicContact SD-CE1 4.26Å; M225-F357 HydrophobicContact CE-CD1 3.73Å; M225-F357 HydrophobicContact CE-CD2 4.1Å; M225-F357 HydrophobicContact CE-CE1 3.37Å; M225-F357 HydrophobicContact CE-CE2 3.79Å; M225-F357 HydrophobicContact CE-CG 4.06Å; M225-F357 HydrophobicContact CE-CZ 3.38Å
226L95.4Very high95.7Very high35 Ų3528.7 Ų28.718%0.18315%0.145CC..G310 helixtrans-101.63.8166.6-62.4179.8000112.3W17 Q222 S223 C224 V236 T237W17-L226 VanDerWaalsContact O-CD1 3.24Å; W17-L226 WeakPolarHBondContact O-CD1 3.5Å; W17-L226 WeakPolarHBondContact O-CG 3.37Å; Q222-L226 HydrophobicContact CB-CD1 4.34Å; S223-L226 WeakPolarHBondContact O-CA 3.47Å; S223-L226 WeakPolarHBondContact O-CB 3.44Å; S223-L226 PolarHBondContact O-N 3.17Å; C224-L226 PolarHBondContact O-N 2.91Å; L226-V236 WeakPolarHBondContact O-CB 3.27Å; L226-T237 HydrophobicContact CB-CG2 4.44Å; L226-T237 WeakPolarHBondContact O-CG2 3.29Å; L226-T237 PolarHBondContact O-N 3.47Å
227D97.1Very high95.6Very high0 Ų029 Ų290%015%0.147CC..  trans-60.7140.4175.9-167.9-59.9000110.5C224 D229 F230 G231 V236 N240 C241 S242C224-D227 WeakPolarHBondContact O-CB 3.28Å; C224-D227 PolarHBondContact O-N 3.12Å; D227-D229 VanDerWaalsContact C-N 3.27Å; D227-D229 PolarHBondContact O-N 3.01Å; D227-D229 PolarHBondContact OD1-N 3.22Å; D227-F230 HydrophobicContact CB-CB 4.22Å; D227-F230 PolarHBondContact OD1-N 2.99Å; D227-G231 VanDerWaalsContact O-CA 3.22Å; D227-G231 WeakPolarHBondContact O-CA 3.22Å; D227-G231 PolarHBondContact O-N 3.48Å; D227-V236 WeakPolarHBondContact O-CB 3.31Å; D227-V236 VanDerWaalsContact O-CG1 3.26Å; D227-V236 WeakPolarHBondContact O-CG1 3.47Å; D227-N240 PolarHBondContact OD1-ND2 3.38Å; D227-N240 WeakPolarHBondContact OD2-CA 3.47Å; D227-C241 HydrophobicContact CB-CB 4.1Å; D227-C241 PolarHBondContact OD2-N 3.18Å; D227-S242 PolarHBondContact OD2-N 2.93Å; D227-S242 PolarHBondContact OD2-OG 3.26Å
228I97Very high95.5Very high51 Ų5131 Ų3126%0.26216%0.16SC..THydrogen-bonded Turntrans-62.5-32.8180-173.557.9000113.3Y233 V236 T237 S239 N240I228-Y233 HydrophobicContact CD1-CD2 4.4Å; I228-Y233 HydrophobicContact CD1-CE2 4.37Å; I228-V236 HydrophobicContact CD1-CG2 3.84Å; I228-T237 WeakPolarHBondContact CB-O 3.45Å; I228-T237 WeakPolarHBondContact CD1-O 3.49Å; I228-S239 PolarHBondContact N-O 2.84Å; I228-N240 WeakPolarHBondContact CG2-ND2 3.26Å
229D96.8Very high95.5Very high109 Ų10931.1 Ų31.158%0.58316%0.162SC*.THydrogen-bonded Turntrans-98.3-32.4-175.6-66.2-51.8000112.3D227 N240D227-D229 VanDerWaalsContact C-N 3.27Å; D227-D229 PolarHBondContact O-N 3.01Å; D227-D229 PolarHBondContact OD1-N 3.22Å; D229-N240 PolarHBondContact OD2-ND2 2.93Å
230F96.3Very high95.5Very high78 Ų7833.3 Ų33.334%0.34217%0.173SC..THydrogen-bonded Turntrans-116.9-5.7-171.6-51.2-57.5000114.1D227 Y315 I319D227-F230 HydrophobicContact CB-CB 4.22Å; D227-F230 PolarHBondContact OD1-N 2.99Å; F230-Y315 HydrophobicContact CB-CE1 4.4Å; F230-Y315 VanDerWaalsContact O-CE1 3.27Å; F230-Y315 WeakPolarHBondContact O-CE1 3.44Å; F230-Y315 PolarHBondContact O-OH 3.29Å; F230-I319 HydrophobicContact CB-CD1 3.67Å; F230-I319 HydrophobicContact CD1-CD1 4.38Å; F230-I319 HydrophobicContact CD2-CD1 4.32Å; F230-I319 HydrophobicContact CD2-CG2 4.05Å; F230-I319 HydrophobicContact CE2-CG2 4.23Å; F230-I319 HydrophobicContact CG-CD1 3.88Å
231G95Very high95.6Very high14 Ų1433.3 Ų33.314%0.14417%0.173CC..SBendtrans-81.9-172.6-179.400000113.7M225 D227 Y233M225-G231 WeakPolarHBondContact O-CA 3.24Å; D227-G231 VanDerWaalsContact O-CA 3.22Å; D227-G231 WeakPolarHBondContact O-CA 3.22Å; D227-G231 PolarHBondContact O-N 3.48Å; G231-Y233 PolarHBondContact O-N 2.87Å
232T93.8Very high95.7Very high4 Ų433.3 Ų33.33%0.02517%0.173CC..SBendtrans-76.568.3175.551.80000112.1W17 M225 H235 R270 P275 F357 L364W17-T232 HydrophobicContact CZ2-CG2 3.68Å; W17-T232 PolarHBondContact NE1-OG1 3.12Å; W17-T232 VanDerWaalsContact NE1-OG1 3.17Å; M225-T232 HydrophobicContact CE-CG2 4.2Å; M225-T232 PolarHBondContact O-N 2.95Å; M225-T232 VanDerWaalsContact O-N 3.12Å; T232-H235 CarbonylContact O-C 3.58Å; T232-H235 WeakPolarHBondContact O-CA 3.43Å; T232-H235 WeakPolarHBondContact O-CB 3.09Å; T232-H235 PolarHBondContact O-N 3.18Å; T232-H235 PolarHBondContact OG1-O 3.29Å; T232-R270 PolarHBondContact OG1-NH1 2.69Å; T232-R270 PolarHBondContact OG1-NH2 3.34Å; T232-P275 HydrophobicContact CG2-CG 4.28Å; T232-F357 HydrophobicContact CG2-CE1 3.89Å; T232-F357 HydrophobicContact CG2-CZ 3.68Å; T232-L364 HydrophobicContact CG2-CD2 4.06Å
233Y93.9Very high95.9Very high156 Ų15634.1 Ų34.161%0.61218%0.179SC*.THydrogen-bonded Turntrans-58.9137.5-177.8-176.8-87.4000111.5I228 G231 V236 S361I228-Y233 HydrophobicContact CD1-CD2 4.4Å; I228-Y233 HydrophobicContact CD1-CE2 4.37Å; G231-Y233 PolarHBondContact O-N 2.87Å; Y233-V236 HydrophobicContact CD2-CG2 3.93Å; Y233-S361 PolarHBondContact O-OG 3.37Å
234P93.2Very high96Very high54 Ų5435.9 Ų35.935%0.35120%0.197SC..THydrogen-bonded Turncis-87.655.235.5-36.7000115.3L133 V236L133-P234 HydrophobicContact CD2-CB 3.93Å; L133-P234 HydrophobicContact CD2-CG 3.77Å; P234-V236 PolarHBondContact O-N 3.39Å
235H93.1Very high96.1Very high43 Ų4336 Ų3620%0.19920%0.198CC..SBendtrans-83.558.3-178.1-55.7-72.5000112.3T232 R270 G274T232-H235 CarbonylContact O-C 3.58Å; T232-H235 WeakPolarHBondContact O-CA 3.43Å; T232-H235 WeakPolarHBondContact O-CB 3.09Å; T232-H235 PolarHBondContact O-N 3.18Å; T232-H235 PolarHBondContact OG1-O 3.29Å; H235-R270 VanDerWaalsContact CB-NH2 3.3Å; H235-G274 VanDerWaalsContact CD2-CA 3.46Å; H235-G274 WeakPolarHBondContact CD2-CA 3.25Å
236V94.8Very high96.2Very high30 Ų3036 Ų3618%0.18220%0.198CC..SBendtrans-132.3171.3-173.6-65.80000110.4L226 D227 I228 Y233 P234L226-V236 WeakPolarHBondContact O-CB 3.27Å; D227-V236 WeakPolarHBondContact O-CB 3.31Å; D227-V236 VanDerWaalsContact O-CG1 3.26Å; D227-V236 WeakPolarHBondContact O-CG1 3.47Å; I228-V236 HydrophobicContact CD1-CG2 3.84Å; Y233-V236 HydrophobicContact CD2-CG2 3.93Å; P234-V236 PolarHBondContact O-N 3.39Å
237T95.3Very high96.3Very high11 Ų1135 Ų357%0.06719%0.194CC..  trans-83.1173.8166-162.90000111N44 Q222 L226 I228 S239 C241N44-T237 PolarHBondContact ND2-OG1 3.22Å; Q222-T237 VanDerWaalsContact NE2-CB 3.32Å; Q222-T237 PolarHBondContact NE2-OG1 3.5Å; Q222-T237 PolarHBondContact OE1-OG1 2.7Å; Q222-T237 VanDerWaalsContact OE1-OG1 3.09Å; L226-T237 HydrophobicContact CB-CG2 4.44Å; L226-T237 WeakPolarHBondContact O-CG2 3.29Å; L226-T237 PolarHBondContact O-N 3.47Å; I228-T237 WeakPolarHBondContact CB-O 3.45Å; I228-T237 WeakPolarHBondContact CD1-O 3.49Å; T237-S239 VanDerWaalsContact C-N 3.28Å; T237-S239 WeakPolarHBondContact CG2-OG 3.44Å; T237-S239 PolarHBondContact O-N 2.86Å; T237-C241 VanDerWaalsContact CG2-SG 3.57Å
238S96.8Very high96.3Very high42 Ų4239.4 Ų39.429%0.29422%0.221SC..SBendtrans-9521.8-178.4-50.50000112.7G141 Y144G141-S238 VanDerWaalsContact CA-OG 3.3Å; G141-S238 WeakPolarHBondContact CA-OG 3.46Å; Y144-S238 VanDerWaalsContact CD1-O 3.22Å; Y144-S238 WeakPolarHBondContact CD1-O 3.19Å; Y144-S238 VanDerWaalsContact CG-O 3.25Å
239S97.3Very high96.4Very high4 Ų437 Ų373%0.02821%0.209CC..SBendtrans-137.8159.2-175.479.50000111.3G41 Y144 I228 T237G41-S239 PolarHBondContact N-OG 2.89Å; Y144-S239 VanDerWaalsContact CZ-CB 3.46Å; Y144-S239 VanDerWaalsContact OH-CB 3.23Å; Y144-S239 WeakPolarHBondContact OH-CB 3.3Å; I228-S239 PolarHBondContact N-O 2.84Å; T237-S239 VanDerWaalsContact C-N 3.28Å; T237-S239 WeakPolarHBondContact CG2-OG 3.44Å; T237-S239 PolarHBondContact O-N 2.86Å
240N97.8Very high96.4Very high47 Ų4731.9 Ų31.925%0.25118%0.182SC..  trans-83.9120178-60.3102.1000110.9Q40 D227 I228 D229Q40-N240 WeakPolarHBondContact CG-O 3.32Å; D227-N240 PolarHBondContact OD1-ND2 3.38Å; D227-N240 WeakPolarHBondContact OD2-CA 3.47Å; I228-N240 WeakPolarHBondContact CG2-ND2 3.26Å; D229-N240 PolarHBondContact OD2-ND2 2.93Å
241C97.5Very high96.5Very high0 Ų029.6 Ų29.60%018%0.18CC..  trans-100.516.1-178-55.80000113S223 D227 T237S223-C241 WeakPolarHBondContact O-CB 3.22Å; D227-C241 HydrophobicContact CB-CB 4.1Å; D227-C241 PolarHBondContact OD2-N 3.18Å; T237-C241 VanDerWaalsContact CG2-SG 3.57Å
242S97.3Very high96.5Very high4 Ų429.2 Ų29.23%0.02818%0.175CC..SBendtrans-106.4175.7176.856.70000113D227 G244 G245 V246 N320D227-S242 PolarHBondContact OD2-N 2.93Å; D227-S242 PolarHBondContact OD2-OG 3.26Å; S242-G244 PolarHBondContact O-N 3.11Å; S242-G245 WeakPolarHBondContact O-CA 3.4Å; S242-G245 PolarHBondContact O-N 3.1Å; S242-V246 PolarHBondContact O-N 3.29Å; S242-N320 WeakPolarHBondContact CA-OD1 3.35Å; S242-N320 WeakPolarHBondContact CB-OD1 3.46Å
243V97.8Very high96.5Very high34 Ų3431.5 Ų31.521%0.20619%0.191CC..Hα-helixtrans-55.1-29.8172.466.20000113.2G245 V246 C247 V257 N320V243-G245 VanDerWaalsContact C-N 3.31Å; V243-G245 PolarHBondContact O-N 3.02Å; V243-V246 WeakPolarHBondContact O-CB 3.17Å; V243-V246 PolarHBondContact O-N 3.25Å; V243-C247 PolarHBondContact O-N 3.3Å; V243-C247 PolarHBondContact O-SG 3.1Å; V243-C247 VanDerWaalsContact O-SG 3.38Å; V243-V257 HydrophobicContact CG2-CB 4.33Å; V243-V257 HydrophobicContact CG2-CG1 3.73Å; V243-V257 HydrophobicContact CG2-CG2 3.95Å; V243-N320 PolarHBondContact N-OD1 3.31Å
244G97.8Very high96.6Very high37 Ų3728.6 Ų28.638%0.38119%0.191SC..Hα-helixtrans-62.3-38.717200000112.5S242 V246 C247 T248S242-G244 PolarHBondContact O-N 3.11Å; G244-V246 VanDerWaalsContact C-N 3.33Å; G244-V246 PolarHBondContact O-N 2.98Å; G244-C247 PolarHBondContact O-N 2.92Å; G244-T248 PolarHBondContact O-N 3Å; G244-T248 VanDerWaalsContact O-N 3.12Å; G244-T248 PolarHBondContact O-OG1 3.04Å
245G98.1Very high96.6Very high2 Ų228.9 Ų28.92%0.02119%0.194CC..Hα-helixtrans-66-31.6173.700000113.5S242 V243 G249S242-G245 WeakPolarHBondContact O-CA 3.4Å; S242-G245 PolarHBondContact O-N 3.1Å; V243-G245 VanDerWaalsContact C-N 3.31Å; V243-G245 PolarHBondContact O-N 3.02Å; G245-G249 VanDerWaalsContact O-CA 3.31Å; G245-G249 WeakPolarHBondContact O-CA 3.31Å; G245-G249 PolarHBondContact O-N 2.85Å
246V98Very high96.6Very high0 Ų029.5 Ų29.50%020%0.195CC..Hα-helixtrans-62.2-45172.3171.10000111V11 V218 S242 V243 G244 L250V11-V246 HydrophobicContact CG1-CG2 3.77Å; V11-V246 HydrophobicContact CG2-CG1 4.21Å; V218-V246 HydrophobicContact CB-CG1 4.24Å; V218-V246 HydrophobicContact CG1-CB 4.5Å; V218-V246 HydrophobicContact CG1-CG1 3.94Å; V218-V246 HydrophobicContact CG1-CG2 4Å; V218-V246 HydrophobicContact CG2-CG1 4.1Å; S242-V246 PolarHBondContact O-N 3.29Å; V243-V246 WeakPolarHBondContact O-CB 3.17Å; V243-V246 PolarHBondContact O-N 3.25Å; G244-V246 VanDerWaalsContact C-N 3.33Å; G244-V246 PolarHBondContact O-N 2.98Å; V246-L250 HydrophobicContact CG1-CD1 4.3Å; V246-L250 WeakPolarHBondContact O-CB 3.32Å; V246-L250 PolarHBondContact O-N 2.83Å
247C98Very high96.7Very high15 Ų1529.4 Ų29.410%0.10120%0.195CC..Hα-helixtrans-65.6-53.2-178.7-60.20000111.3V243 G244 G249 G251 L252V243-C247 PolarHBondContact O-N 3.3Å; V243-C247 PolarHBondContact O-SG 3.1Å; V243-C247 VanDerWaalsContact O-SG 3.38Å; G244-C247 PolarHBondContact O-N 2.92Å; C247-G249 VanDerWaalsContact C-N 3.34Å; C247-G249 PolarHBondContact O-N 3.02Å; C247-G251 WeakPolarHBondContact O-CA 3.49Å; C247-G251 PolarHBondContact O-N 2.87Å; C247-L252 WeakPolarHBondContact CA-O 3.34Å; C247-L252 WeakPolarHBondContact CB-O 3.1Å; C247-L252 PolarHBondContact O-N 2.74Å
248T97.7Very high96.6Very high93 Ų9329.9 Ų29.957%0.57120%0.201SC*.Hα-helixtrans-71.9-28.3-177.758.40000113N76 G244N76-T248 PolarHBondContact ND2-O 3.09Å; G244-T248 PolarHBondContact O-N 3Å; G244-T248 VanDerWaalsContact O-N 3.12Å; G244-T248 PolarHBondContact O-OG1 3.04Å
249G98.2Very high96.6Very high1 Ų134.5 Ų34.51%0.0121%0.212CC..Hα-helixtrans-80.4-16.3-179.400000115.5C39 G75 N76 G77 G245 C247C39-G249 WeakPolarHBondContact O-CA 3.37Å; G75-G249 CarbonylContact C-O 3.52Å; G75-G249 VanDerWaalsContact C-O 3.28Å; G75-G249 WeakPolarHBondContact CA-O 3.32Å; N76-G249 PolarHBondContact N-O 3.16Å; N76-G249 VanDerWaalsContact OD1-C 3.25Å; N76-G249 PolarHBondContact OD1-O 2.84Å; G77-G249 PolarHBondContact N-O 3.31Å; G77-G249 VanDerWaalsContact N-O 3.09Å; G245-G249 VanDerWaalsContact O-CA 3.31Å; G245-G249 WeakPolarHBondContact O-CA 3.31Å; G245-G249 PolarHBondContact O-N 2.85Å; C247-G249 VanDerWaalsContact C-N 3.34Å; C247-G249 PolarHBondContact O-N 3.02Å
250L98Very high96.6Very high0 Ų034.6 Ų34.60%021%0.213CC..Hα-helixtrans-119.9-7.3177.1-65.2172.6000113.8C37 C39 V218 V246 L252C37-L250 HydrophobicContact CB-CD1 4.01Å; C37-L250 HydrophobicContact CB-CD2 3.99Å; C39-L250 HydrophobicContact CB-CD1 4.18Å; C39-L250 HydrophobicContact CB-CD2 4.2Å; C39-L250 HydrophobicContact CB-CG 3.77Å; V218-L250 HydrophobicContact CB-CD1 4.4Å; V218-L250 HydrophobicContact CG1-CD1 3.84Å; V218-L250 HydrophobicContact CG2-CD1 3.63Å; V246-L250 HydrophobicContact CG1-CD1 4.3Å; V246-L250 WeakPolarHBondContact O-CB 3.32Å; V246-L250 PolarHBondContact O-N 2.83Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 HydrophobicContact CB-CB 4.21Å
251G97.4Very high96.7Very high30 Ų3033 Ų3331%0.30920%0.203SC..THydrogen-bonded Turntrans64.235.6-168.800000111.9N206 C247N206-G251 PolarHBondContact ND2-O 2.83Å; C247-G251 WeakPolarHBondContact O-CA 3.49Å; C247-G251 PolarHBondContact O-N 2.87Å
252L95.2Very high96.7Very high6 Ų633 Ų333%0.03120%0.203CC..  trans-97135.7-178.2-17072.8000109.9V9 I205 V209 C247 L250 R256V9-L252 HydrophobicContact CB-CD2 4.37Å; V9-L252 HydrophobicContact CG1-CD2 3.82Å; V9-L252 HydrophobicContact CG2-CD2 3.57Å; I205-L252 HydrophobicContact CG2-CD1 4.01Å; V209-L252 HydrophobicContact CG1-CD1 4.48Å; C247-L252 WeakPolarHBondContact CA-O 3.34Å; C247-L252 WeakPolarHBondContact CB-O 3.1Å; C247-L252 PolarHBondContact O-N 2.74Å; L250-L252 VanDerWaalsContact C-N 3.27Å; L250-L252 HydrophobicContact CB-CB 4.21Å; L252-R256 HydrophobicContact CD1-CB 3.75Å; L252-R256 HydrophobicContact CD1-CG 4.13Å; L252-R256 HydrophobicContact CD2-CB 4.01Å; L252-R256 HydrophobicContact CG-CB 3.81Å
253S94Very high96.8Very high52 Ų5232.8 Ų32.836%0.36420%0.202SC..  trans-63.7138172.4177.90000110.3S255 R256S253-S255 PolarHBondContact O-N 3.15Å; S253-S255 VanDerWaalsContact O-N 3.08Å; S253-S255 PolarHBondContact OG-N 2.9Å; S253-S255 PolarHBondContact OG-OG 3.36Å; S253-R256 WeakPolarHBondContact O-CB 3.36Å; S253-R256 PolarHBondContact O-N 3Å
254P95.3Very high96.8Very high95 Ų9531.1 Ų31.162%0.61719%0.192SC*.G310 helixtrans-52.8-32.7173.5-2835.2000113.2R256 V257P254-R256 PolarHBondContact O-N 2.83Å; P254-V257 PolarHBondContact O-N 2.83Å; P254-V257 VanDerWaalsContact O-N 3.1Å
255S93.5Very high96.8Very high60 Ų6029.4 Ų29.442%0.4217%0.174SC..G310 helixtrans-62.9-9.4175.968.30000114.9V5 S253V5-S255 WeakPolarHBondContact CG1-O 3.32Å; S253-S255 PolarHBondContact O-N 3.15Å; S253-S255 VanDerWaalsContact O-N 3.08Å; S253-S255 PolarHBondContact OG-N 2.9Å; S253-S255 PolarHBondContact OG-OG 3.36Å
256R93.7Very high96.8Very high56 Ų5629.3 Ų29.321%0.21117%0.173CC..G310 helixtrans-99.6-6.8178.2-65.7-69.6179.9-83.48.6113.1G7 L8 V9 V209 L252 S253 P254 G258G7-R256 WeakPolarHBondContact O-CD 3.37Å; L8-R256 WeakPolarHBondContact CA-O 3.44Å; V9-R256 PolarHBondContact N-O 3.48Å; V209-R256 HydrophobicContact CG2-CB 4.41Å; L252-R256 HydrophobicContact CD1-CB 3.75Å; L252-R256 HydrophobicContact CD1-CG 4.13Å; L252-R256 HydrophobicContact CD2-CB 4.01Å; L252-R256 HydrophobicContact CG-CB 3.81Å; S253-R256 WeakPolarHBondContact O-CB 3.36Å; S253-R256 PolarHBondContact O-N 3Å; P254-R256 PolarHBondContact O-N 2.83Å; R256-G258 PolarHBondContact O-N 3.38Å
257V95.4Very high96.8Very high29 Ų2929.3 Ų29.318%0.17617%0.173CC..EExtended strand (participates in β ladder)trans-70.9119.4172.4-178.80000108V11 V243 P254 V260V11-V257 HydrophobicContact CG2-CG1 4.05Å; V243-V257 HydrophobicContact CG2-CB 4.33Å; V243-V257 HydrophobicContact CG2-CG1 3.73Å; V243-V257 HydrophobicContact CG2-CG2 3.95Å; P254-V257 PolarHBondContact O-N 2.83Å; P254-V257 VanDerWaalsContact O-N 3.1Å; V257-V260 HydrophobicContact CG1-CG2 3.68Å
258G94.6Very high96.8Very high20 Ų2028.6 Ų28.621%0.20617%0.168CC..EExtended strand (participates in β ladder)trans-96.2-115.8175.200000110.7V9 R256V9-G258 VanDerWaalsContact O-CA 3.3Å; V9-G258 WeakPolarHBondContact O-CA 3.37Å; V9-G258 PolarHBondContact O-N 2.78Å; R256-G258 PolarHBondContact O-N 3.38Å
259R96.3Very high96.7Very high139 Ų13924.3 Ų24.353%0.52514%0.142SC..EExtended strand (participates in β ladder)trans-77.5126.5-177.9-65.4-176.4178.7-177-2111.1S10 V11 Y261 N323S10-R259 CarbonylContact C-O 3.54Å; S10-R259 WeakPolarHBondContact CA-O 3.39Å; V11-R259 PolarHBondContact N-O 3.32Å; R259-Y261 HydrophobicContact CB-CE1 3.92Å; R259-Y261 HydrophobicContact CB-CE2 4.07Å; R259-Y261 WeakPolarHBondContact CD-OH 3.38Å; R259-Y261 PolarHBondContact NH1-OH 3.39Å; R259-N323 WeakPolarHBondContact CA-OD1 3.5Å
260V98.3Very high96.4Very high6 Ų624.5 Ų24.54%0.03614%0.142CC..EExtended strand (participates in β ladder)trans-105.7119.4172.7-168.70000108.3V11 L13 V257 F322 N323V11-V260 HydrophobicContact CB-CG1 4.24Å; V11-V260 HydrophobicContact CB-CG2 4.33Å; V11-V260 HydrophobicContact CG1-CG1 4.28Å; L13-V260 HydrophobicContact CD1-CG1 4.25Å; V257-V260 HydrophobicContact CG1-CG2 3.68Å; V260-F322 HydrophobicContact CG1-CD1 3.85Å; V260-F322 HydrophobicContact CG1-CE1 4.09Å; V260-F322 CarbonylContact O-C 3.55Å; V260-F322 WeakPolarHBondContact O-CA 3.42Å; V260-N323 PolarHBondContact N-OD1 3.21Å; V260-N323 PolarHBondContact O-N 2.9Å; V260-N323 PolarHBondContact O-OD1 3.46Å
261Y98.5Very high95.9Very high13 Ų1326.9 Ų26.95%0.05116%0.157CC..EExtended strand (participates in β ladder)trans-107.4126.5178.1-54.2-58000109.8V11 V12 L13 L29 R259 A324 R410 W411V11-Y261 PolarHBondContact O-N 3.14Å; V12-Y261 WeakPolarHBondContact CA-O 3.19Å; V12-Y261 HydrophobicContact CG2-CD2 4.44Å; L13-Y261 PolarHBondContact N-O 2.75Å; L29-Y261 HydrophobicContact CD1-CD2 3.81Å; L29-Y261 HydrophobicContact CD1-CE2 4.05Å; R259-Y261 HydrophobicContact CB-CE1 3.92Å; R259-Y261 HydrophobicContact CB-CE2 4.07Å; R259-Y261 WeakPolarHBondContact CD-OH 3.38Å; R259-Y261 PolarHBondContact NH1-OH 3.39Å; Y261-A324 WeakPolarHBondContact CA-O 3.42Å; Y261-A324 HydrophobicContact CD1-CB 4.14Å; Y261-A324 HydrophobicContact CE1-CB 4.45Å; Y261-R410 PolarHBondContact OH-NH1 2.96Å; Y261-W411 AromaticContact CD1-CH2 3.56Å; Y261-W411 HydrophobicContact CD1-CH2 3.56Å; Y261-W411 AromaticContact CD1-CZ3 3.58Å; Y261-W411 HydrophobicContact CD1-CZ3 3.58Å; Y261-W411 AromaticContact CD2-CH2 3.98Å; Y261-W411 HydrophobicContact CD2-CH2 3.98Å; Y261-W411 HydrophobicContact CD2-CZ3 4.4Å; Y261-W411 AromaticContact CE1-CH2 3.56Å; Y261-W411 HydrophobicContact CE1-CH2 3.56Å; Y261-W411 HydrophobicContact CE1-CZ3 4.03Å; Y261-W411 AromaticContact CE2-CH2 3.98Å; Y261-W411 HydrophobicContact CE2-CH2 3.98Å; Y261-W411 AromaticContact CG-CH2 3.75Å; Y261-W411 HydrophobicContact CG-CH2 3.75Å; Y261-W411 AromaticContact CG-CZ3 3.76Å; Y261-W411 HydrophobicContact CG-CZ3 3.76Å; Y261-W411 AromaticContact CZ-CH2 3.75Å
262G98.5Very high95.2Very high0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-88.1138.9173.900000110.5L13 F322 A324 L325 A326L13-G262 CarbonylContact O-C 3.57Å; L13-G262 WeakPolarHBondContact O-CA 3.32Å; G262-F322 VanDerWaalsContact CA-CD1 3.45Å; G262-F322 VanDerWaalsContact N-CD1 3.32Å; G262-A324 PolarHBondContact N-O 3.08Å; G262-L325 CarbonylContact O-C 3.58Å; G262-L325 VanDerWaalsContact O-CA 3.25Å; G262-L325 WeakPolarHBondContact O-CA 3.35Å; G262-A326 PolarHBondContact O-N 3.46Å
263V98.5Very high94.6Very high0 Ų028.6 Ų28.60%017%0.167CC..EExtended strand (participates in β ladder)trans-109.4125.6170.8-166.40000108.2V12 L13 A15 E20 K22 L25 A326 T328V12-V263 HydrophobicContact CG1-CG2 3.56Å; L13-V263 PolarHBondContact O-N 3.11Å; A15-V263 PolarHBondContact N-O 2.93Å; E20-V263 HydrophobicContact CB-CB 4.13Å; E20-V263 HydrophobicContact CB-CG1 3.82Å; E20-V263 WeakPolarHBondContact CB-O 3.24Å; E20-V263 WeakPolarHBondContact CG-O 3.29Å; E20-V263 WeakPolarHBondContact O-CG1 3.49Å; K22-V263 HydrophobicContact CG-CB 4.05Å; K22-V263 HydrophobicContact CG-CG2 3.98Å; L25-V263 HydrophobicContact CB-CG2 4.35Å; L25-V263 HydrophobicContact CD2-CG2 3.66Å; V263-A326 HydrophobicContact CG1-CB 4.34Å; V263-T328 HydrophobicContact CG1-CG2 3.85Å
264I98.5Very high94.4Very high0 Ų026.9 Ų26.90%016%0.158CC..EExtended strand (participates in β ladder)trans-126.1148.9175.258.3167.9000108.6A15 I313 L325 A326 L327 T328 V401A15-I264 HydrophobicContact CB-CG2 3.72Å; I264-I313 HydrophobicContact CB-CD1 4.25Å; I264-I313 HydrophobicContact CD1-CD1 4.1Å; I264-I313 HydrophobicContact CG2-CD1 3.73Å; I264-I313 HydrophobicContact CG2-CG1 3.81Å; I264-I313 HydrophobicContact CG2-CG2 4.14Å; I264-L325 HydrophobicContact CD1-CD1 4.04Å; I264-A326 PolarHBondContact N-O 2.93Å; I264-L327 HydrophobicContact CD1-CD1 3.73Å; I264-L327 HydrophobicContact CG1-CB 4.46Å; I264-L327 HydrophobicContact CG1-CD1 3.92Å; I264-L327 CarbonylContact O-C 3.57Å; I264-L327 WeakPolarHBondContact O-CA 3.44Å; I264-T328 PolarHBondContact O-N 3.17Å; I264-T328 PolarHBondContact O-OG1 2.82Å; I264-V401 HydrophobicContact CD1-CG1 4.24Å
265K97.5Very high94.2Very high0 Ų022.6 Ų22.60%013%0.13CC..EExtended strand (participates in β ladder)trans-94.8149.8167-173.7-175.8-61.4179.80108.7D19 Y267 T269 E294 L308 T328 K329D19-K265 WeakPolarHBondContact O-CE 3.3Å; D19-K265 PolarHBondContact O-NZ 2.78Å; D19-K265 IonicContact OD2-NZ 2.83Å; D19-K265 PolarHBondContact OD2-NZ 3.43Å; K265-Y267 CarbonylContact C-O 3.55Å; K265-Y267 VanDerWaalsContact CB-O 3.23Å; K265-Y267 WeakPolarHBondContact CB-O 3.38Å; K265-Y267 HydrophobicContact CD-CD1 4.22Å; K265-Y267 HydrophobicContact CD-CD2 3.79Å; K265-Y267 HydrophobicContact CD-CE1 3.83Å; K265-Y267 HydrophobicContact CD-CE2 3.38Å; K265-Y267 HydrophobicContact CD-CG 4.21Å; K265-Y267 VanDerWaalsContact CD-CZ 3.42Å; K265-Y267 HydrophobicContact CG-CD1 4.08Å; K265-Y267 HydrophobicContact CG-CD2 4.4Å; K265-Y267 HydrophobicContact CG-CE1 3.91Å; K265-Y267 HydrophobicContact CG-CE2 4.27Å; K265-Y267 HydrophobicContact CG-CG 4.34Å; K265-Y267 WeakPolarHBondContact CG-O 3.42Å; K265-Y267 PolarHBondContact O-N 3.09Å; K265-Y267 VanDerWaalsContact O-O 3.13Å; K265-T269 HydrophobicContact CD-CG2 3.99Å; K265-T269 VanDerWaalsContact NZ-CG2 3.29Å; K265-T269 PolarHBondContact NZ-OG1 3.05Å; K265-E294 VanDerWaalsContact NZ-CD 3.29Å; K265-E294 IonicContact NZ-OE1 3.38Å; K265-E294 PolarHBondContact NZ-OE1 2.98Å; K265-E294 IonicContact NZ-OE2 2.93Å; K265-E294 PolarHBondContact NZ-OE2 2.9Å; K265-E294 VanDerWaalsContact NZ-OE2 3.09Å; K265-L308 VanDerWaalsContact O-CD1 3.26Å; K265-L308 WeakPolarHBondContact O-CD1 3.39Å; K265-T328 CarbonylContact C-O 3.49Å; K265-T328 WeakPolarHBondContact CA-O 3.47Å; K265-T328 WeakPolarHBondContact CA-OG1 3.32Å; K265-K329 HydrophobicContact CD-CD 3.97Å; K265-K329 HydrophobicContact CG-CB 4Å; K265-K329 HydrophobicContact CG-CD 4.26Å; K265-K329 HydrophobicContact CG-CG 4.38Å
266A98.2Very high94.2Very high1 Ų120.3 Ų20.31%0.00811%0.113CC..SBendtrans-62.9-6.3179.900000114.4L327 T328 I330 L333 F397A266-L327 HydrophobicContact CB-CD1 3.99Å; A266-L327 HydrophobicContact CB-CG 4.4Å; A266-T328 PolarHBondContact N-O 2.95Å; A266-I330 HydrophobicContact CB-CB 4.37Å; A266-I330 HydrophobicContact CB-CG1 4.44Å; A266-L333 HydrophobicContact CB-CD1 3.82Å; A266-L333 HydrophobicContact CB-CG 4.49Å; A266-F397 HydrophobicContact CB-CE1 4.15Å; A266-F397 HydrophobicContact CB-CZ 4.35Å
267Y98.3Very high94.3Very high0 Ų018.9 Ų18.90%011%0.11CC..SBendtrans-142.7168.9169.554.2-84.8000107.7Q16 K265 T269 I288 E294 I305 G306 K329 V332 L333Q16-Y267 PolarHBondContact NE2-O 3.02Å; K265-Y267 CarbonylContact C-O 3.55Å; K265-Y267 VanDerWaalsContact CB-O 3.23Å; K265-Y267 WeakPolarHBondContact CB-O 3.38Å; K265-Y267 HydrophobicContact CD-CD1 4.22Å; K265-Y267 HydrophobicContact CD-CD2 3.79Å; K265-Y267 HydrophobicContact CD-CE1 3.83Å; K265-Y267 HydrophobicContact CD-CE2 3.38Å; K265-Y267 HydrophobicContact CD-CG 4.21Å; K265-Y267 VanDerWaalsContact CD-CZ 3.42Å; K265-Y267 HydrophobicContact CG-CD1 4.08Å; K265-Y267 HydrophobicContact CG-CD2 4.4Å; K265-Y267 HydrophobicContact CG-CE1 3.91Å; K265-Y267 HydrophobicContact CG-CE2 4.27Å; K265-Y267 HydrophobicContact CG-CG 4.34Å; K265-Y267 WeakPolarHBondContact CG-O 3.42Å; K265-Y267 PolarHBondContact O-N 3.09Å; K265-Y267 VanDerWaalsContact O-O 3.13Å; Y267-T269 HydrophobicContact CD2-CG2 3.78Å; Y267-T269 HydrophobicContact CE2-CG2 3.5Å; Y267-I288 HydrophobicContact CD1-CG2 4.07Å; Y267-I288 HydrophobicContact CD2-CG2 3.62Å; Y267-I288 HydrophobicContact CE1-CG2 4.03Å; Y267-I288 HydrophobicContact CE2-CG2 3.53Å; Y267-I288 HydrophobicContact CG-CG2 3.87Å; Y267-E294 HydrophobicContact CE2-CG 4.15Å; Y267-E294 WeakPolarHBondContact CE2-OE1 3.31Å; Y267-E294 VanDerWaalsContact CZ-OE1 3.31Å; Y267-E294 PolarHBondContact OH-OE1 3.43Å; Y267-I305 HydrophobicContact CD2-CG2 4.09Å; Y267-I305 HydrophobicContact CE2-CD1 4.36Å; Y267-G306 WeakPolarHBondContact CB-O 3.41Å; Y267-K329 HydrophobicContact CE1-CB 4Å; Y267-K329 WeakPolarHBondContact OH-CD 3.42Å; Y267-V332 HydrophobicContact CE1-CB 3.72Å; Y267-V332 HydrophobicContact CE1-CG1 3.76Å; Y267-V332 HydrophobicContact CE1-CG2 4.14Å; Y267-L333 HydrophobicContact CD1-CD2 3.91Å; Y267-L333 HydrophobicContact CD1-CG 4.37Å
268T97.3Very high94.4Very high0 Ų017.5 Ų17.50%010%0.102CC..EExtended strand (participates in β ladder)trans-97139.4-178.7-52.90000110.5Q16 W17 F276 G306 W307 D309Q16-T268 PolarHBondContact NE2-OG1 3.48Å; Q16-T268 VanDerWaalsContact NE2-OG1 3.09Å; W17-T268 HydrophobicContact CE3-CG2 3.65Å; W17-T268 HydrophobicContact CZ3-CG2 3.74Å; T268-F276 HydrophobicContact CG2-CE2 3.43Å; T268-F276 VanDerWaalsContact CG2-CE2 3.43Å; T268-F276 HydrophobicContact CG2-CZ 3.57Å; T268-G306 PolarHBondContact N-O 2.91Å; T268-G306 PolarHBondContact O-N 2.94Å; T268-W307 WeakPolarHBondContact CB-O 3.48Å; T268-W307 PolarHBondContact OG1-O 3.04Å; T268-D309 PolarHBondContact OG1-N 2.93Å
269T95.6Very high94.5Very high2 Ų219 Ų191%0.01210%0.103CC..EExtended strand (participates in β ladder)trans-128143.3172.754.50000111.6K265 Y267 E294 R304 I305K265-T269 HydrophobicContact CD-CG2 3.99Å; K265-T269 VanDerWaalsContact NZ-CG2 3.29Å; K265-T269 PolarHBondContact NZ-OG1 3.05Å; Y267-T269 HydrophobicContact CD2-CG2 3.78Å; Y267-T269 HydrophobicContact CE2-CG2 3.5Å; T269-E294 HydrophobicContact CG2-CG 4.23Å; T269-R304 WeakPolarHBondContact CA-O 3.46Å; T269-I305 HydrophobicContact CG2-CD1 3.67Å
270R92.7Very high94.6Very high5 Ų513.4 Ų13.42%0.0198%0.084CC..EExtended strand (participates in β ladder)trans-138.8138.2177.3-173.4174.6174.5138.414.8110.9W17 T232 H235 S273 P275 F276 R303 R304W17-R270 HydrophobicContact CB-CB 4.35Å; W17-R270 HydrophobicContact CB-CG 4.18Å; W17-R270 HydrophobicContact CG-CG 4.21Å; T232-R270 PolarHBondContact OG1-NH1 2.69Å; T232-R270 PolarHBondContact OG1-NH2 3.34Å; H235-R270 VanDerWaalsContact CB-NH2 3.3Å; R270-S273 PolarHBondContact NE-O 2.99Å; R270-S273 VanDerWaalsContact NE-O 3.16Å; R270-S273 PolarHBondContact NH2-O 2.99Å; R270-P275 PolarHBondContact NH1-O 2.75Å; R270-F276 HydrophobicContact CB-CD1 3.88Å; R270-F276 HydrophobicContact CB-CE1 3.79Å; R270-F276 HydrophobicContact CB-CZ 4.48Å; R270-R303 WeakPolarHBondContact O-CA 3.31Å; R270-R304 PolarHBondContact N-O 3.44Å; R270-R304 PolarHBondContact O-N 2.82Å
271V86Confident94.4Very high50 Ų5020.4 Ų20.430%0.30312%0.121SC..  trans-99.9136.1168.9175.50000108.7R303V271-R303 HydrophobicContact CG2-CG 3.73Å
272G82.7Confident94.2Very high17 Ų1723.4 Ų23.418%0.17514%0.138CC..SBendtrans81.2-165.717400000114.3R304G272-R304 WeakPolarHBondContact O-CD 3.35Å; G272-R304 PolarHBondContact O-NH1 2.92Å; G272-R304 VanDerWaalsContact O-NH1 3.16Å
273S84Confident94.1Very high55 Ų5525.9 Ų25.939%0.38516%0.163SC..SBendtrans-79.5171.4-172.6-510000112.6R270R270-S273 PolarHBondContact NE-O 2.99Å; R270-S273 VanDerWaalsContact NE-O 3.16Å; R270-S273 PolarHBondContact NH2-O 2.99Å
274G88.2Confident94Very high17 Ų1728.4 Ų28.418%0.17518%0.176CC..SBendtrans111.2168.6173.900000113.7H235 R304H235-G274 VanDerWaalsContact CD2-CA 3.46Å; H235-G274 WeakPolarHBondContact CD2-CA 3.25Å; G274-R304 PolarHBondContact O-NH1 2.99Å; G274-R304 PolarHBondContact O-NH2 3.2Å
275P91.5Very high93.9Very high4 Ų428.7 Ų28.73%0.02618%0.179CC..  trans-63.8134.8-171.222.9-33.8000112.2T232 R270 L364 N365T232-P275 HydrophobicContact CG2-CG 4.28Å; R270-P275 PolarHBondContact NH1-O 2.75Å; P275-L364 HydrophobicContact CB-CB 4.07Å; P275-L364 HydrophobicContact CB-CD2 3.48Å; P275-L364 VanDerWaalsContact CB-CD2 3.48Å; P275-L364 HydrophobicContact CB-CG 3.71Å; P275-L364 HydrophobicContact CG-CB 4.41Å; P275-L364 HydrophobicContact CG-CD2 3.33Å; P275-L364 HydrophobicContact CG-CG 4.11Å; P275-N365 WeakPolarHBondContact CB-OD1 3.17Å
276F94.7Very high93.9Very high13 Ų1334.6 Ų34.66%0.05721%0.206CC..  trans-141.782.5179.4-166.3178.3000109.8T268 R270 S278 E279 R304 G306T268-F276 HydrophobicContact CG2-CE2 3.43Å; T268-F276 VanDerWaalsContact CG2-CE2 3.43Å; T268-F276 HydrophobicContact CG2-CZ 3.57Å; R270-F276 HydrophobicContact CB-CD1 3.88Å; R270-F276 HydrophobicContact CB-CE1 3.79Å; R270-F276 HydrophobicContact CB-CZ 4.48Å; F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 2.97Å; F276-E279 HydrophobicContact CB-CB 4Å; F276-E279 HydrophobicContact CD1-CB 3.88Å; F276-E279 HydrophobicContact CD1-CG 4.08Å; F276-E279 HydrophobicContact CD2-CB 4.31Å; F276-E279 HydrophobicContact CE1-CB 4.45Å; F276-E279 HydrophobicContact CG-CB 3.81Å; F276-E279 HydrophobicContact CG-CG 4.49Å; F276-E279 WeakPolarHBondContact O-CB 3.22Å; F276-E279 PolarHBondContact O-N 2.98Å; F276-R304 VanDerWaalsContact CB-NH2 3.26Å; F276-R304 HydrophobicContact CD1-CB 3.85Å; F276-R304 HydrophobicContact CE1-CB 3.81Å; F276-G306 VanDerWaalsContact CZ-N 3.35Å
277P95.5Very high93.9Very high25 Ų2538.4 Ų38.416%0.16222%0.223CC..THydrogen-bonded Turntrans-58.6-39.6-168.9-2836000114.3E279 Y345 L364 V367 V369P277-E279 VanDerWaalsContact C-N 3.26Å; P277-E279 PolarHBondContact O-N 3.09Å; P277-Y345 HydrophobicContact CB-CE1 3.81Å; P277-Y345 HydrophobicContact CG-CE1 4.33Å; P277-Y345 HydrophobicContact CG-CE2 4.34Å; P277-Y345 WeakPolarHBondContact CG-OH 3.36Å; P277-L364 HydrophobicContact CG-CD1 3.42Å; P277-L364 VanDerWaalsContact CG-CD1 3.42Å; P277-L364 HydrophobicContact CG-CG 3.78Å; P277-V367 HydrophobicContact CB-CG2 3.82Å; P277-V367 HydrophobicContact CG-CG2 4.01Å; P277-V369 HydrophobicContact CB-CG2 3.65Å; P277-V369 WeakPolarHBondContact O-CG2 3.43Å
278S96.8Very high93.8Very high0 Ų038.4 Ų38.40%022%0.223CC..THydrogen-bonded Turntrans-86.712.8-178.865.50000114.3F276 G306 W307 D309 Y371F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 2.97Å; S278-G306 CarbonylContact O-C 3.58Å; S278-G306 WeakPolarHBondContact O-CA 3.36Å; S278-W307 PolarHBondContact O-N 2.81Å; S278-W307 PolarHBondContact OG-O 3.1Å; S278-D309 PolarHBondContact OG-OD2 3.07Å; S278-Y371 WeakPolarHBondContact CA-OH 3.22Å
279E97.4Very high93.8Very high51 Ų5139.1 Ų39.124%0.23823%0.226CC..BIsolated β-bridgetrans-61.3136-176.7-174.8169.2-148.700112.9F276 P277 L281 R304 I305F276-E279 HydrophobicContact CB-CB 4Å; F276-E279 HydrophobicContact CD1-CB 3.88Å; F276-E279 HydrophobicContact CD1-CG 4.08Å; F276-E279 HydrophobicContact CD2-CB 4.31Å; F276-E279 HydrophobicContact CE1-CB 4.45Å; F276-E279 HydrophobicContact CG-CB 3.81Å; F276-E279 HydrophobicContact CG-CG 4.49Å; F276-E279 WeakPolarHBondContact O-CB 3.22Å; F276-E279 PolarHBondContact O-N 2.98Å; P277-E279 VanDerWaalsContact C-N 3.26Å; P277-E279 PolarHBondContact O-N 3.09Å; E279-L281 HydrophobicContact CG-CD2 3.81Å; E279-L281 HydrophobicContact CG-CG 4.3Å; E279-R304 VanDerWaalsContact CD-NE 3.34Å; E279-R304 WeakPolarHBondContact OE1-CB 3.44Å; E279-R304 VanDerWaalsContact OE1-CG 3.28Å; E279-R304 WeakPolarHBondContact OE1-CG 3.38Å; E279-R304 IonicContact OE1-CZ 3.38Å; E279-R304 IonicContact OE1-NE 3.99Å; E279-R304 PolarHBondContact OE1-NE 3.08Å; E279-R304 IonicContact OE1-NH2 3.99Å; E279-R304 IonicContact OE2-CZ 2.84Å; E279-R304 IonicContact OE2-NE 2.68Å; E279-R304 PolarHBondContact OE2-NE 2.83Å; E279-R304 IonicContact OE2-NH2 3.59Å; E279-R304 PolarHBondContact OE2-NH2 3.07Å; E279-I305 WeakPolarHBondContact CA-O 3.16Å
280L97.5Very high93.8Very high22 Ų2247 Ų4712%0.11526%0.26CS..  trans-96106.5175.2-73.6172.1000109.3I284 G285 I288 I305 W307L280-I284 HydrophobicContact CD1-CG2 4.09Å; L280-G285 VanDerWaalsContact CB-CA 3.5Å; L280-I288 HydrophobicContact CD1-CD1 4.01Å; L280-I305 HydrophobicContact CD1-CG2 4.33Å; L280-I305 PolarHBondContact N-O 3.34Å; L280-W307 HydrophobicContact CD1-CD2 4.1Å; L280-W307 HydrophobicContact CD1-CG 4.42Å; L280-W307 HydrophobicContact CD1-CZ2 4.19Å; L280-W307 HydrophobicContact CD2-CD2 4.5Å; L280-W307 HydrophobicContact CD2-CG 4.46Å; L280-W307 HydrophobicContact CD2-CZ2 4.23Å
281L94.7Very high93.9Very high154 Ų15450.1 Ų50.181%0.80627%0.274SS*.  trans-95.57.6176.8-59.4178.2000112.8E279E279-L281 HydrophobicContact CG-CD2 3.81Å; E279-L281 HydrophobicContact CG-CG 4.3Å
282D93.8Very high94.3Very high76 Ų7648.1 Ų48.141%0.40626%0.263SS..SBendtrans-105.2-176.1-178.465.411000112.2I284 G285 E286D282-I284 PolarHBondContact O-N 3.33Å; D282-I284 WeakPolarHBondContact OD1-CB 3.15Å; D282-I284 PolarHBondContact OD1-N 3.3Å; D282-G285 PolarHBondContact O-N 2.97Å; D282-G285 PolarHBondContact OD1-N 3.46Å; D282-E286 PolarHBondContact O-N 2.62Å
283G96Very high94.8Very high52 Ų5251.7 Ų51.754%0.53628%0.284SS..Hα-helixtrans-63-20.2179.200000114.3F287G283-F287 WeakPolarHBondContact O-CB 3.23Å; G283-F287 PolarHBondContact O-N 3.01Å
284I97.1Very high95.3Very high53 Ų5349 Ų4927%0.27227%0.266SS..Hα-helixtrans-71-42.3176.6-58.1175.5000109.5L280 D282 E286 F287 I288 W307 L336L280-I284 HydrophobicContact CD1-CG2 4.09Å; D282-I284 PolarHBondContact O-N 3.33Å; D282-I284 WeakPolarHBondContact OD1-CB 3.15Å; D282-I284 PolarHBondContact OD1-N 3.3Å; I284-E286 VanDerWaalsContact C-N 3.3Å; I284-E286 PolarHBondContact O-N 2.96Å; I284-F287 WeakPolarHBondContact O-CB 3.47Å; I284-F287 PolarHBondContact O-N 3.17Å; I284-I288 HydrophobicContact CG2-CD1 3.9Å; I284-I288 HydrophobicContact CG2-CG1 4.37Å; I284-I288 WeakPolarHBondContact O-CG1 3.4Å; I284-I288 PolarHBondContact O-N 3.35Å; I284-W307 HydrophobicContact CD1-CZ2 4.4Å; I284-W307 HydrophobicContact CG2-CH2 3.95Å; I284-W307 HydrophobicContact CG2-CZ2 3.99Å; I284-L336 HydrophobicContact CG2-CD2 4.22Å
285G97.3Very high95.4Very high5 Ų554.8 Ų54.85%0.05228%0.282CS..Hα-helixtrans-56.5-44.5174.500000112.1L280 D282 Q289 I305L280-G285 VanDerWaalsContact CB-CA 3.5Å; D282-G285 PolarHBondContact O-N 2.97Å; D282-G285 PolarHBondContact OD1-N 3.46Å; G285-Q289 VanDerWaalsContact O-CB 3.28Å; G285-Q289 WeakPolarHBondContact O-CB 3.34Å; G285-Q289 PolarHBondContact O-N 2.97Å; G285-I305 WeakPolarHBondContact O-CG1 3.29Å
286E96.7Very high95.2Very high124 Ų12454.9 Ų54.958%0.57928%0.284SS*.Hα-helixtrans-66.7-40.6176.2-62.1-166.8149.700113.1D282 I284 Q289 K290D282-E286 PolarHBondContact O-N 2.62Å; I284-E286 VanDerWaalsContact C-N 3.3Å; I284-E286 PolarHBondContact O-N 2.96Å; E286-Q289 PolarHBondContact O-N 2.83Å; E286-K290 WeakPolarHBondContact O-CB 3.42Å; E286-K290 PolarHBondContact O-N 2.99Å
287F97.4Very high94.6Very high81 Ų8155.3 Ų55.336%0.35529%0.288SS..Hα-helixtrans-58.2-52.6175.9173.9-94.2000111.5G283 I284 Q289 K290 K291 D335 L336G283-F287 WeakPolarHBondContact O-CB 3.23Å; G283-F287 PolarHBondContact O-N 3.01Å; I284-F287 WeakPolarHBondContact O-CB 3.47Å; I284-F287 PolarHBondContact O-N 3.17Å; F287-Q289 VanDerWaalsContact C-N 3.35Å; F287-Q289 PolarHBondContact O-N 2.77Å; F287-K290 PolarHBondContact O-N 3.21Å; F287-K291 HydrophobicContact CE1-CD 4Å; F287-K291 HydrophobicContact CZ-CD 3.78Å; F287-K291 WeakPolarHBondContact O-CB 3.22Å; F287-K291 PolarHBondContact O-N 3.19Å; F287-D335 HydrophobicContact CZ-CB 3.94Å; F287-L336 HydrophobicContact CD1-CD2 3.76Å; F287-L336 HydrophobicContact CE1-CD2 3.77Å; F287-L336 HydrophobicContact CE1-CG 4.37Å
288I97.6Very high94Very high0 Ų056.1 Ų56.10%029%0.293CS..Hα-helixtrans-63.2-42.2179.1-66.5172.1000110.5Y267 L280 I284 K290 K291 G292 I305 W307 V332 L333 L336Y267-I288 HydrophobicContact CD1-CG2 4.07Å; Y267-I288 HydrophobicContact CD2-CG2 3.62Å; Y267-I288 HydrophobicContact CE1-CG2 4.03Å; Y267-I288 HydrophobicContact CE2-CG2 3.53Å; Y267-I288 HydrophobicContact CG-CG2 3.87Å; L280-I288 HydrophobicContact CD1-CD1 4.01Å; I284-I288 HydrophobicContact CG2-CD1 3.9Å; I284-I288 HydrophobicContact CG2-CG1 4.37Å; I284-I288 WeakPolarHBondContact O-CG1 3.4Å; I284-I288 PolarHBondContact O-N 3.35Å; I288-K290 VanDerWaalsContact C-N 3.32Å; I288-K290 PolarHBondContact O-N 3.13Å; I288-K291 PolarHBondContact O-N 3.02Å; I288-G292 PolarHBondContact O-N 3Å; I288-I305 HydrophobicContact CB-CG2 3.94Å; I288-I305 HydrophobicContact CD1-CG2 4.4Å; I288-I305 HydrophobicContact CG2-CG2 3.62Å; I288-W307 HydrophobicContact CD1-CZ3 4.38Å; I288-V332 HydrophobicContact CG2-CG1 3.92Å; I288-L333 HydrophobicContact CD1-CD2 3.95Å; I288-L333 HydrophobicContact CG1-CD2 4.27Å; I288-L336 HydrophobicContact CD1-CD1 4.17Å; I288-L336 HydrophobicContact CG1-CD1 4.41Å
289Q95.8Very high93.3Very high15 Ų1558.2 Ų58.27%0.0731%0.305CS..Hα-helixtrans-57-46.5178.3-168.2-80.3-44.500111.6G285 E286 F287 C293 E294 K302 I305G285-Q289 VanDerWaalsContact O-CB 3.28Å; G285-Q289 WeakPolarHBondContact O-CB 3.34Å; G285-Q289 PolarHBondContact O-N 2.97Å; E286-Q289 PolarHBondContact O-N 2.83Å; F287-Q289 VanDerWaalsContact C-N 3.35Å; F287-Q289 PolarHBondContact O-N 2.77Å; Q289-C293 PolarHBondContact O-N 3.23Å; Q289-E294 HydrophobicContact CG-CB 4.09Å; Q289-E294 PolarHBondContact NE2-O 2.9Å; Q289-E294 PolarHBondContact O-N 3.39Å; Q289-K302 VanDerWaalsContact CD-CE 3.46Å; Q289-K302 HydrophobicContact CG-CD 4.36Å; Q289-K302 HydrophobicContact CG-CG 3.95Å; Q289-K302 VanDerWaalsContact OE1-CE 3.3Å; Q289-I305 HydrophobicContact CB-CD1 4.01Å; Q289-I305 HydrophobicContact CB-CG1 3.57Å; Q289-I305 HydrophobicContact CG-CD1 4.16Å; Q289-I305 HydrophobicContact CG-CG1 4.05Å
290K96Very high92.7Very high169 Ų16962.6 Ų62.674%0.73532%0.323SS*.Hα-helixtrans-69.1-50-179.6-174.3179179.2-177.80111.1E286 F287 I288 G292 C293E286-K290 WeakPolarHBondContact O-CB 3.42Å; E286-K290 PolarHBondContact O-N 2.99Å; F287-K290 PolarHBondContact O-N 3.21Å; I288-K290 VanDerWaalsContact C-N 3.32Å; I288-K290 PolarHBondContact O-N 3.13Å; K290-G292 PolarHBondContact O-N 2.82Å; K290-C293 PolarHBondContact O-N 2.78Å
291K95.8Very high92.3Very high70 Ų7065.7 Ų65.730%0.30433%0.334SS..Hα-helixtrans-64.5-38.4-177.4-174.7169.7171.3-164.70112.4F287 I288 C293 D331 V332 D335F287-K291 HydrophobicContact CE1-CD 4Å; F287-K291 HydrophobicContact CZ-CD 3.78Å; F287-K291 WeakPolarHBondContact O-CB 3.22Å; F287-K291 PolarHBondContact O-N 3.19Å; I288-K291 PolarHBondContact O-N 3.02Å; K291-C293 VanDerWaalsContact C-N 3.3Å; K291-C293 PolarHBondContact O-N 3.29Å; K291-D331 WeakPolarHBondContact CE-O 3.4Å; K291-D331 PolarHBondContact NZ-O 3Å; K291-D331 VanDerWaalsContact NZ-O 3.13Å; K291-V332 HydrophobicContact CB-CG1 4.17Å; K291-V332 VanDerWaalsContact CD-O 3.29Å; K291-V332 WeakPolarHBondContact CD-O 3.32Å; K291-V332 WeakPolarHBondContact CE-O 3.3Å; K291-V332 HydrophobicContact CG-CG1 4.2Å; K291-V332 PolarHBondContact NZ-O 3.24Å; K291-V332 VanDerWaalsContact NZ-O 3.16Å; K291-D335 WeakPolarHBondContact CE-OD2 3.26Å; K291-D335 VanDerWaalsContact NZ-CG 3.33Å; K291-D335 IonicContact NZ-OD1 2.68Å; K291-D335 IonicContact NZ-OD2 3.7Å; K291-D335 PolarHBondContact NZ-OD2 2.9Å
292G94.5Very high92.2Very high8 Ų863.3 Ų63.38%0.08232%0.317CS..THydrogen-bonded Turntrans-82.92.3176.800000115.6I288 K290 E294 K329I288-G292 PolarHBondContact O-N 3Å; K290-G292 PolarHBondContact O-N 2.82Å; G292-E294 VanDerWaalsContact C-N 3.34Å; G292-E294 PolarHBondContact O-N 3.28Å; G292-K329 PolarHBondContact O-NZ 2.97Å; G292-K329 VanDerWaalsContact O-NZ 3.13Å
293C93.5Very high92.2Very high91 Ų9160.4 Ų60.462%0.61530%0.3SS*.THydrogen-bonded Turntrans48.650.5-175.4-60.80000113.1Q289 K290 K291 W295Q289-C293 PolarHBondContact O-N 3.23Å; K290-C293 PolarHBondContact O-N 2.78Å; K291-C293 VanDerWaalsContact C-N 3.3Å; K291-C293 PolarHBondContact O-N 3.29Å; C293-W295 PolarHBondContact O-N 2.77Å
294E93.9Very high92.2Very high0 Ų060.8 Ų60.80%029%0.285CS..  trans-83.580.4-164.7-65.2-65.3-179.300113.4K265 Y267 T269 Q289 G292 R303 I305 K329K265-E294 VanDerWaalsContact NZ-CD 3.29Å; K265-E294 IonicContact NZ-OE1 3.38Å; K265-E294 PolarHBondContact NZ-OE1 2.98Å; K265-E294 IonicContact NZ-OE2 2.93Å; K265-E294 PolarHBondContact NZ-OE2 2.9Å; K265-E294 VanDerWaalsContact NZ-OE2 3.09Å; Y267-E294 HydrophobicContact CE2-CG 4.15Å; Y267-E294 WeakPolarHBondContact CE2-OE1 3.31Å; Y267-E294 VanDerWaalsContact CZ-OE1 3.31Å; Y267-E294 PolarHBondContact OH-OE1 3.43Å; T269-E294 HydrophobicContact CG2-CG 4.23Å; Q289-E294 HydrophobicContact CG-CB 4.09Å; Q289-E294 PolarHBondContact NE2-O 2.9Å; Q289-E294 PolarHBondContact O-N 3.39Å; G292-E294 VanDerWaalsContact C-N 3.34Å; G292-E294 PolarHBondContact O-N 3.28Å; E294-R303 HydrophobicContact CB-CB 4.04Å; E294-R303 HydrophobicContact CB-CG 4.36Å; E294-R303 WeakPolarHBondContact O-CG 3.45Å; E294-R303 PolarHBondContact O-N 3.35Å; E294-R303 WeakPolarHBondContact OE2-CD 3.4Å; E294-R303 IonicContact OE2-CZ 3.6Å; E294-R303 IonicContact OE2-NE 2.73Å; E294-R303 IonicContact OE2-NH1 3.66Å; E294-R303 PolarHBondContact OE2-NH1 3.01Å; E294-I305 HydrophobicContact CB-CD1 3.88Å; E294-I305 HydrophobicContact CG-CD1 3.84Å; E294-K329 VanDerWaalsContact CD-NZ 3.33Å; E294-K329 IonicContact OE1-NZ 3.13Å; E294-K329 PolarHBondContact OE1-NZ 3.39Å; E294-K329 IonicContact OE2-NZ 3.27Å; E294-K329 PolarHBondContact OE2-NZ 3.33Å
295W90.8Very high92.2Very high137 Ų13758.5 Ų58.552%0.51927%0.274SS..BIsolated β-bridgetrans-124131.4179.7-63.296.8000112.2C293 V297 K302 R303C293-W295 PolarHBondContact O-N 2.77Å; W295-V297 PolarHBondContact O-N 2.84Å; W295-K302 HydrophobicContact CE3-CB 4.31Å; W295-K302 HydrophobicContact CH2-CB 4.36Å; W295-K302 HydrophobicContact CZ3-CB 3.92Å; W295-R303 VanDerWaalsContact N-NH1 3.19Å; W295-R303 PolarHBondContact O-NH1 3.36Å; W295-R303 VanDerWaalsContact O-NH1 3.15Å; W295-R303 PolarHBondContact O-NH2 2.92Å
296G85.9Confident92.2Very high6 Ų658.3 Ų58.36%0.06227%0.271CS..  trans-62.3126.817800000112.5T298 K300 R301G296-T298 PolarHBondContact O-N 2.8Å; G296-K300 WeakPolarHBondContact O-CA 3.49Å; G296-K300 PolarHBondContact O-N 2.78Å; G296-R301 PolarHBondContact N-O 3.48Å
297V83.4Confident92.3Very high23 Ų2352.8 Ų52.814%0.13925%0.245CC..THydrogen-bonded Turntrans-60.5-50.2-176.9177.90000112F57 W295 K300F57-V297 HydrophobicContact CB-CG1 4.3Å; F57-V297 HydrophobicContact CD1-CG1 3.62Å; F57-V297 HydrophobicContact CE1-CG1 4.34Å; F57-V297 HydrophobicContact CG-CG1 4.26Å; W295-V297 PolarHBondContact O-N 2.84Å; V297-K300 WeakPolarHBondContact O-CD 3.43Å; V297-K300 VanDerWaalsContact O-CE 3.29Å; V297-K300 WeakPolarHBondContact O-CE 3.41Å; V297-K300 PolarHBondContact O-NZ 3.47Å
298T81.9Confident92.4Very high42 Ų4249 Ų4926%0.25823%0.228SC..THydrogen-bonded Turntrans-79.3-40.8-176.3-46.20000112.9A45 H59 T136 G296A45-T298 PolarHBondContact O-OG1 2.92Å; H59-T298 PolarHBondContact CE1-OG1 2.74Å; T136-T298 HydrophobicContact CG2-CG2 4.48Å; G296-T298 PolarHBondContact O-N 2.8Å
299T81.5Confident92.4Very high43 Ų4349 Ų4926%0.26423%0.228SC..THydrogen-bonded Turntrans-98-13.5-171.864.70000114T136 R301T136-T299 HydrophobicContact CG2-CG2 3.91Å; T299-R301 PolarHBondContact O-N 3.38Å; T299-R301 PolarHBondContact OG1-NE 2.76Å
300K86Confident92.5Very high143 Ų14348.2 Ų48.262%0.62223%0.225SC*.  trans5612.4-173-51.7-55.9-173-1650114.9G296 V297G296-K300 WeakPolarHBondContact O-CA 3.49Å; G296-K300 PolarHBondContact O-N 2.78Å; V297-K300 WeakPolarHBondContact O-CD 3.43Å; V297-K300 VanDerWaalsContact O-CE 3.29Å; V297-K300 WeakPolarHBondContact O-CE 3.41Å; V297-K300 PolarHBondContact O-NZ 3.47Å
301R88.9Confident92.6Very high88 Ų8840.3 Ų40.333%0.33219%0.191SC..PPolyproline II helixtrans-76.1146.2176.8-67.3-175.6-69175.4-7.3111.5G134 G296 T299G134-R301 PolarHBondContact O-NH2 3.47Å; G296-R301 PolarHBondContact N-O 3.48Å; T299-R301 PolarHBondContact O-N 3.38Å; T299-R301 PolarHBondContact OG1-NE 2.76Å
302K91.8Very high92.7Very high103 Ų10337 Ų3745%0.44818%0.176SC..BIsolated β-bridgetrans-59.7133.2170.2-172.5179.3179.9-176.60109.2Q289 W295Q289-K302 VanDerWaalsContact CD-CE 3.46Å; Q289-K302 HydrophobicContact CG-CD 4.36Å; Q289-K302 HydrophobicContact CG-CG 3.95Å; Q289-K302 VanDerWaalsContact OE1-CE 3.3Å; W295-K302 HydrophobicContact CE3-CB 4.31Å; W295-K302 HydrophobicContact CH2-CB 4.36Å; W295-K302 HydrophobicContact CZ3-CB 3.92Å
303R94.9Very high92.9Very high15 Ų1536.6 Ų36.66%0.05717%0.173CC..PPolyproline II helixtrans-82.1139.8172.6-58.2-175.5-179.6114.10.9109.8D19 R270 V271 E294 W295D19-R303 VanDerWaalsContact CG-NE 3.28Å; D19-R303 IonicContact OD1-CZ 2.64Å; D19-R303 IonicContact OD1-NE 3.81Å; D19-R303 IonicContact OD1-NH1 3.32Å; D19-R303 PolarHBondContact OD1-NH1 3.25Å; D19-R303 IonicContact OD1-NH2 3.31Å; D19-R303 PolarHBondContact OD1-NH2 2.98Å; D19-R303 WeakPolarHBondContact OD2-CD 3.33Å; D19-R303 IonicContact OD2-CZ 3.67Å; D19-R303 IonicContact OD2-NE 3.91Å; D19-R303 PolarHBondContact OD2-NE 2.97Å; D19-R303 VanDerWaalsContact OD2-NE 3.17Å; D19-R303 IonicContact OD2-NH1 2.77Å; D19-R303 PolarHBondContact OD2-NH1 3.22Å; D19-R303 IonicContact OD2-NH2 3.09Å; D19-R303 PolarHBondContact OD2-NH2 2.95Å; R270-R303 WeakPolarHBondContact O-CA 3.31Å; V271-R303 HydrophobicContact CG2-CG 3.73Å; E294-R303 HydrophobicContact CB-CB 4.04Å; E294-R303 HydrophobicContact CB-CG 4.36Å; E294-R303 WeakPolarHBondContact O-CG 3.45Å; E294-R303 PolarHBondContact O-N 3.35Å; E294-R303 WeakPolarHBondContact OE2-CD 3.4Å; E294-R303 IonicContact OE2-CZ 3.6Å; E294-R303 IonicContact OE2-NE 2.73Å; E294-R303 IonicContact OE2-NH1 3.66Å; E294-R303 PolarHBondContact OE2-NH1 3.01Å; W295-R303 VanDerWaalsContact N-NH1 3.19Å; W295-R303 PolarHBondContact O-NH1 3.36Å; W295-R303 VanDerWaalsContact O-NH1 3.15Å; W295-R303 PolarHBondContact O-NH2 2.92Å
304R95.2Very high93.2Very high61 Ų6135.5 Ų35.523%0.2316%0.155CC..EExtended strand (participates in β ladder)trans-71.3144.8165.7-66.3163.466.2-164.33.8108.6T269 R270 G272 G274 F276 E279T269-R304 WeakPolarHBondContact CA-O 3.46Å; R270-R304 PolarHBondContact N-O 3.44Å; R270-R304 PolarHBondContact O-N 2.82Å; G272-R304 WeakPolarHBondContact O-CD 3.35Å; G272-R304 PolarHBondContact O-NH1 2.92Å; G272-R304 VanDerWaalsContact O-NH1 3.16Å; G274-R304 PolarHBondContact O-NH1 2.99Å; G274-R304 PolarHBondContact O-NH2 3.2Å; F276-R304 VanDerWaalsContact CB-NH2 3.26Å; F276-R304 HydrophobicContact CD1-CB 3.85Å; F276-R304 HydrophobicContact CE1-CB 3.81Å; E279-R304 VanDerWaalsContact CD-NE 3.34Å; E279-R304 WeakPolarHBondContact OE1-CB 3.44Å; E279-R304 VanDerWaalsContact OE1-CG 3.28Å; E279-R304 WeakPolarHBondContact OE1-CG 3.38Å; E279-R304 IonicContact OE1-CZ 3.38Å; E279-R304 IonicContact OE1-NE 3.99Å; E279-R304 PolarHBondContact OE1-NE 3.08Å; E279-R304 IonicContact OE1-NH2 3.99Å; E279-R304 IonicContact OE2-CZ 2.84Å; E279-R304 IonicContact OE2-NE 2.68Å; E279-R304 PolarHBondContact OE2-NE 2.83Å; E279-R304 IonicContact OE2-NH2 3.59Å; E279-R304 PolarHBondContact OE2-NH2 3.07Å
305I97.7Very high93.4Very high5 Ų537.7 Ų37.73%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-118.4140.7-176.3-53.3-54.7000109.2Y267 T269 E279 L280 G285 I288 Q289 E294Y267-I305 HydrophobicContact CD2-CG2 4.09Å; Y267-I305 HydrophobicContact CE2-CD1 4.36Å; T269-I305 HydrophobicContact CG2-CD1 3.67Å; E279-I305 WeakPolarHBondContact CA-O 3.16Å; L280-I305 HydrophobicContact CD1-CG2 4.33Å; L280-I305 PolarHBondContact N-O 3.34Å; G285-I305 WeakPolarHBondContact O-CG1 3.29Å; I288-I305 HydrophobicContact CB-CG2 3.94Å; I288-I305 HydrophobicContact CD1-CG2 4.4Å; I288-I305 HydrophobicContact CG2-CG2 3.62Å; Q289-I305 HydrophobicContact CB-CD1 4.01Å; Q289-I305 HydrophobicContact CB-CG1 3.57Å; Q289-I305 HydrophobicContact CG-CD1 4.16Å; Q289-I305 HydrophobicContact CG-CG1 4.05Å; E294-I305 HydrophobicContact CB-CD1 3.88Å; E294-I305 HydrophobicContact CG-CD1 3.84Å
306G97.9Very high93.7Very high0 Ų031.1 Ų31.10%014%0.139CC..EExtended strand (participates in β ladder)trans-143.4168170.200000111.1Y267 T268 F276 S278Y267-G306 WeakPolarHBondContact CB-O 3.41Å; T268-G306 PolarHBondContact N-O 2.91Å; T268-G306 PolarHBondContact O-N 2.94Å; F276-G306 VanDerWaalsContact CZ-N 3.35Å; S278-G306 CarbonylContact O-C 3.58Å; S278-G306 WeakPolarHBondContact O-CA 3.36Å
307W98.4Very high94.3Very high9 Ų933 Ų333%0.03415%0.146CC..  trans-62.1163.7173.2-71.8117.8000111.9T268 S278 L280 I284 I288 D309 L336 V339 K340 Y371T268-W307 WeakPolarHBondContact CB-O 3.48Å; T268-W307 PolarHBondContact OG1-O 3.04Å; S278-W307 PolarHBondContact O-N 2.81Å; S278-W307 PolarHBondContact OG-O 3.1Å; L280-W307 HydrophobicContact CD1-CD2 4.1Å; L280-W307 HydrophobicContact CD1-CG 4.42Å; L280-W307 HydrophobicContact CD1-CZ2 4.19Å; L280-W307 HydrophobicContact CD2-CD2 4.5Å; L280-W307 HydrophobicContact CD2-CG 4.46Å; L280-W307 HydrophobicContact CD2-CZ2 4.23Å; I284-W307 HydrophobicContact CD1-CZ2 4.4Å; I284-W307 HydrophobicContact CG2-CH2 3.95Å; I284-W307 HydrophobicContact CG2-CZ2 3.99Å; I288-W307 HydrophobicContact CD1-CZ3 4.38Å; W307-D309 PolarHBondContact O-N 3.11Å; W307-L336 HydrophobicContact CH2-CD1 4.1Å; W307-L336 HydrophobicContact CZ3-CD1 4.17Å; W307-V339 HydrophobicContact CZ3-CB 4.26Å; W307-V339 HydrophobicContact CZ3-CG1 4.48Å; W307-K340 WeakPolarHBondContact CB-O 3.46Å; W307-K340 HydrophobicContact CD2-CB 3.71Å; W307-K340 HydrophobicContact CE3-CB 4.24Å; W307-K340 HydrophobicContact CG-CB 3.83Å; W307-K340 HydrophobicContact CZ2-CB 4.4Å; W307-K340 HydrophobicContact CZ2-CD 4.49Å; W307-K340 HydrophobicContact CZ2-CG 4.47Å; W307-Y371 HydrophobicContact CB-CD1 4.49Å; W307-Y371 HydrophobicContact CB-CE1 3.91Å; W307-Y371 AromaticContact CD1-CE1 3.64Å; W307-Y371 HydrophobicContact CG-CE1 4.07Å
308L98.6Very high95Very high0 Ų037.8 Ų37.80%017%0.17CC..EExtended strand (participates in β ladder)trans-58.8128.4172-179.665000109.4K265 I313 I341 A342 F397 V401K265-L308 VanDerWaalsContact O-CD1 3.26Å; K265-L308 WeakPolarHBondContact O-CD1 3.39Å; L308-I313 HydrophobicContact CD1-CD1 3.59Å; L308-I313 HydrophobicContact CG-CD1 4.3Å; L308-I341 HydrophobicContact CB-CG2 4.5Å; L308-I341 HydrophobicContact CD2-CG1 4.38Å; L308-I341 HydrophobicContact CD2-CG2 4.32Å; L308-I341 HydrophobicContact CG-CG2 4.42Å; L308-I341 CarbonylContact O-C 3.58Å; L308-I341 WeakPolarHBondContact O-CA 3.46Å; L308-A342 PolarHBondContact O-N 2.98Å; L308-F397 HydrophobicContact CB-CZ 4.48Å; L308-F397 HydrophobicContact CD2-CE1 4.41Å; L308-F397 HydrophobicContact CD2-CE2 4.47Å; L308-F397 HydrophobicContact CD2-CZ 3.77Å; L308-V401 HydrophobicContact CD2-CB 4.35Å; L308-V401 HydrophobicContact CD2-CG1 4.01Å; L308-V401 HydrophobicContact CD2-CG2 3.31Å
309D98.3Very high95.8Very high0 Ų037.6 Ų37.60%017%0.167CC..EExtended strand (participates in β ladder)trans-113.1101.5-176.5-160.4-51.5000112.1T268 S278 W307 V311 V312 I313 A342 Y345T268-D309 PolarHBondContact OG1-N 2.93Å; S278-D309 PolarHBondContact OG-OD2 3.07Å; W307-D309 PolarHBondContact O-N 3.11Å; D309-V311 VanDerWaalsContact C-N 3.34Å; D309-V311 WeakPolarHBondContact OD1-CA 3.13Å; D309-V311 WeakPolarHBondContact OD1-CB 3.43Å; D309-V311 PolarHBondContact OD1-N 3.13Å; D309-V312 HydrophobicContact CB-CB 4.08Å; D309-V312 HydrophobicContact CB-CG2 3.88Å; D309-V312 WeakPolarHBondContact OD1-CG2 3.39Å; D309-V312 PolarHBondContact OD1-N 2.84Å; D309-I313 WeakPolarHBondContact O-CD1 3.49Å; D309-I313 VanDerWaalsContact O-CG1 3.26Å; D309-I313 WeakPolarHBondContact O-CG1 3.33Å; D309-I313 PolarHBondContact O-N 3.31Å; D309-A342 HydrophobicContact CB-CB 4.3Å; D309-Y345 PolarHBondContact OD1-OH 3.28Å; D309-Y345 PolarHBondContact OD2-OH 3.12Å
310T98.5Very high96.6Very high0 Ų035.7 Ų35.70%016%0.155CC..Hα-helixtrans-78.4-18.9179.859.70000112.6V312 I313 R314 I341 A342 K343 L404 L405T310-V312 VanDerWaalsContact C-N 3.35Å; T310-I313 PolarHBondContact O-N 2.88Å; T310-R314 WeakPolarHBondContact O-CB 3.26Å; T310-R314 VanDerWaalsContact O-CG 3.26Å; T310-R314 WeakPolarHBondContact O-CG 3.49Å; T310-R314 PolarHBondContact O-N 2.6Å; T310-R314 PolarHBondContact OG1-NH1 2.84Å; T310-I341 HydrophobicContact CG2-CG2 3.47Å; T310-I341 VanDerWaalsContact CG2-CG2 3.47Å; T310-A342 PolarHBondContact N-O 3.02Å; T310-A342 PolarHBondContact OG1-O 3.36Å; T310-K343 WeakPolarHBondContact OG1-CA 3.44Å; T310-L404 HydrophobicContact CG2-CB 4.17Å; T310-L404 HydrophobicContact CG2-CD1 4.21Å; T310-L405 HydrophobicContact CG2-CD2 3.92Å; T310-L405 HydrophobicContact CG2-CG 4.16Å
311V98.3Very high97.2Very high3 Ų334.4 Ų34.42%0.01816%0.155CC..Hα-helixtrans-64.8-45.8172.2-173.80000109.3D309 Y315 Y345D309-V311 VanDerWaalsContact C-N 3.34Å; D309-V311 WeakPolarHBondContact OD1-CA 3.13Å; D309-V311 WeakPolarHBondContact OD1-CB 3.43Å; D309-V311 PolarHBondContact OD1-N 3.13Å; V311-Y315 PolarHBondContact O-N 3.21Å; V311-Y315 VanDerWaalsContact O-N 3.08Å; V311-Y345 HydrophobicContact CB-CD2 4.25Å; V311-Y345 HydrophobicContact CB-CE1 4.28Å; V311-Y345 HydrophobicContact CB-CE2 3.94Å; V311-Y345 HydrophobicContact CG1-CD2 3.69Å; V311-Y345 HydrophobicContact CG1-CE2 3.64Å; V311-Y345 HydrophobicContact CG1-CG 4.27Å; V311-Y345 HydrophobicContact CG2-CD1 4.04Å; V311-Y345 HydrophobicContact CG2-CD2 4.38Å; V311-Y345 HydrophobicContact CG2-CE1 4.05Å; V311-Y345 HydrophobicContact CG2-CE2 4.4Å; V311-Y345 HydrophobicContact CG2-CG 4.2Å
312V98Very high97.7Very high0 Ų030.4 Ų30.40%014%0.14CC..Hα-helixtrans-59.9-47.3174.5172.80000111.4W17 M225 D309 T310 Y315 A316 F357W17-V312 HydrophobicContact CE3-CG1 4.46Å; W17-V312 HydrophobicContact CH2-CB 4.44Å; W17-V312 HydrophobicContact CH2-CG1 4.17Å; W17-V312 HydrophobicContact CH2-CG2 3.4Å; W17-V312 VanDerWaalsContact CH2-CG2 3.4Å; W17-V312 HydrophobicContact CZ2-CG2 4.45Å; W17-V312 HydrophobicContact CZ3-CB 4.34Å; W17-V312 HydrophobicContact CZ3-CG1 3.89Å; W17-V312 HydrophobicContact CZ3-CG2 3.64Å; M225-V312 HydrophobicContact CE-CG1 4.49Å; M225-V312 HydrophobicContact CG-CG1 3.54Å; M225-V312 HydrophobicContact SD-CG1 3.84Å; D309-V312 HydrophobicContact CB-CB 4.08Å; D309-V312 HydrophobicContact CB-CG2 3.88Å; D309-V312 WeakPolarHBondContact OD1-CG2 3.39Å; D309-V312 PolarHBondContact OD1-N 2.84Å; T310-V312 VanDerWaalsContact C-N 3.35Å; V312-Y315 PolarHBondContact O-N 2.98Å; V312-A316 PolarHBondContact O-N 2.84Å; V312-F357 HydrophobicContact CG2-CD2 3.7Å; V312-F357 HydrophobicContact CG2-CE2 3.59Å
313I98.6Very high98Very high0 Ų029.2 Ų29.20%014%0.138CC..Hα-helixtrans-70-37.8-176.5-60.9159.6000111.5A15 Q16 I264 L308 D309 T310 Y315 A316 H317 L325 L405A15-I313 HydrophobicContact CB-CG2 4.31Å; Q16-I313 HydrophobicContact CG-CG1 4.35Å; I264-I313 HydrophobicContact CB-CD1 4.25Å; I264-I313 HydrophobicContact CD1-CD1 4.1Å; I264-I313 HydrophobicContact CG2-CD1 3.73Å; I264-I313 HydrophobicContact CG2-CG1 3.81Å; I264-I313 HydrophobicContact CG2-CG2 4.14Å; L308-I313 HydrophobicContact CD1-CD1 3.59Å; L308-I313 HydrophobicContact CG-CD1 4.3Å; D309-I313 WeakPolarHBondContact O-CD1 3.49Å; D309-I313 VanDerWaalsContact O-CG1 3.26Å; D309-I313 WeakPolarHBondContact O-CG1 3.33Å; D309-I313 PolarHBondContact O-N 3.31Å; T310-I313 PolarHBondContact O-N 2.88Å; I313-Y315 VanDerWaalsContact C-N 3.34Å; I313-A316 PolarHBondContact O-N 3.38Å; I313-H317 WeakPolarHBondContact O-CB 3.47Å; I313-H317 PolarHBondContact O-N 3.17Å; I313-L325 HydrophobicContact CG2-CD1 4.48Å; I313-L405 HydrophobicContact CB-CD1 4.28Å; I313-L405 HydrophobicContact CB-CD2 3.85Å; I313-L405 HydrophobicContact CD1-CD1 4.42Å; I313-L405 HydrophobicContact CG2-CD1 3.6Å; I313-L405 HydrophobicContact CG2-CD2 3.77Å; I313-L405 HydrophobicContact CG2-CG 4.34Å
314R98.5Very high98.1Very high68 Ų6828.7 Ų28.726%0.25714%0.137SC..Hα-helixtrans-61.1-43.6172.9-76.1-168-55-88.95.3111.2T310 H317 I318 K343 L405T310-R314 WeakPolarHBondContact O-CB 3.26Å; T310-R314 VanDerWaalsContact O-CG 3.26Å; T310-R314 WeakPolarHBondContact O-CG 3.49Å; T310-R314 PolarHBondContact O-N 2.6Å; T310-R314 PolarHBondContact OG1-NH1 2.84Å; R314-H317 WeakPolarHBondContact O-CB 3.41Å; R314-H317 PolarHBondContact O-N 3.37Å; R314-H317 VanDerWaalsContact O-N 3.16Å; R314-I318 WeakPolarHBondContact O-CG1 3.33Å; R314-I318 PolarHBondContact O-N 3.08Å; R314-K343 PolarHBondContact NH1-O 2.93Å; R314-K343 PolarHBondContact NH2-O 2.91Å; R314-L405 HydrophobicContact CG-CD2 3.72Å
315Y98.3Very high98.3Very high45 Ų4525.8 Ų25.818%0.17613%0.126CC..Hα-helixtrans-61-46.4175.3176.8-109.2000112.1M225 F230 V311 V312 I313 H317 I318 I319 S356 F357M225-Y315 HydrophobicContact CE-CD1 4.27Å; M225-Y315 HydrophobicContact CE-CE1 4.43Å; M225-Y315 HydrophobicContact SD-CD1 3.88Å; M225-Y315 HydrophobicContact SD-CE1 4.26Å; F230-Y315 HydrophobicContact CB-CE1 4.4Å; F230-Y315 VanDerWaalsContact O-CE1 3.27Å; F230-Y315 WeakPolarHBondContact O-CE1 3.44Å; F230-Y315 PolarHBondContact O-OH 3.29Å; V311-Y315 PolarHBondContact O-N 3.21Å; V311-Y315 VanDerWaalsContact O-N 3.08Å; V312-Y315 PolarHBondContact O-N 2.98Å; I313-Y315 VanDerWaalsContact C-N 3.34Å; Y315-H317 VanDerWaalsContact C-N 3.26Å; Y315-H317 PolarHBondContact O-N 3.19Å; Y315-I318 PolarHBondContact O-N 3.23Å; Y315-I319 HydrophobicContact CD1-CD1 4.06Å; Y315-I319 HydrophobicContact CD2-CD1 4.49Å; Y315-I319 HydrophobicContact CE1-CD1 3.58Å; Y315-I319 HydrophobicContact CE2-CD1 4.09Å; Y315-I319 PolarHBondContact O-N 3.49Å; Y315-S356 VanDerWaalsContact CD2-OG 3.29Å; Y315-S356 WeakPolarHBondContact CD2-OG 3.26Å; Y315-F357 HydrophobicContact CD1-CB 3.99Å; Y315-F357 HydrophobicContact CD1-CG 4.39Å; Y315-F357 HydrophobicContact CD2-CB 4.12Å; Y315-F357 HydrophobicContact CG-CB 3.66Å
316A98.3Very high98.3Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-61.4-34.6174.100000112.5A15 C224 V312 I313 I319 N320 F322A15-A316 HydrophobicContact CB-CB 3.92Å; A15-A316 WeakPolarHBondContact O-CB 3.37Å; C224-A316 HydrophobicContact CB-CB 3.9Å; V312-A316 PolarHBondContact O-N 2.84Å; I313-A316 PolarHBondContact O-N 3.38Å; A316-I319 PolarHBondContact O-N 3.21Å; A316-N320 WeakPolarHBondContact O-CB 3.37Å; A316-N320 PolarHBondContact O-N 3.34Å; A316-N320 VanDerWaalsContact O-N 3.13Å; A316-N320 PolarHBondContact O-ND2 2.9Å; A316-F322 HydrophobicContact CB-CE2 4.03Å; A316-F322 HydrophobicContact CB-CZ 4.43Å
317H98.5Very high98.4Very high45 Ų4525.7 Ų25.721%0.20813%0.126CC..Hα-helixtrans-68.3-41.4176.1178.464000112.3I313 R314 Y315 I319 N320 D321 F322 I407I313-H317 WeakPolarHBondContact O-CB 3.47Å; I313-H317 PolarHBondContact O-N 3.17Å; R314-H317 WeakPolarHBondContact O-CB 3.41Å; R314-H317 PolarHBondContact O-N 3.37Å; R314-H317 VanDerWaalsContact O-N 3.16Å; Y315-H317 VanDerWaalsContact C-N 3.26Å; Y315-H317 PolarHBondContact O-N 3.19Å; H317-I319 PolarHBondContact O-N 2.95Å; H317-N320 PolarHBondContact O-N 3.25Å; H317-N320 VanDerWaalsContact O-N 3.16Å; H317-D321 IonicContact CE1-OD1 3.44Å; H317-D321 WeakPolarHBondContact O-CA 3.27Å; H317-D321 PolarHBondContact O-N 3.23Å; H317-F322 HydrophobicContact CB-CD2 3.92Å; H317-F322 HydrophobicContact CB-CE2 4.39Å; H317-F322 PolarHBondContact CE1-O 2.89Å; H317-F322 AromaticContact ND1-CD2 3.94Å; H317-F322 PolarHBondContact ND1-N 3.32Å; H317-F322 VanDerWaalsContact ND1-N 3.12Å; H317-I407 HydrophobicContact CB-CD1 3.71Å; H317-I407 WeakPolarHBondContact ND1-CD1 3.38Å
318I97.9Very high98.3Very high124 Ų12425.9 Ų25.964%0.63613%0.128SC*.Hα-helixtrans-54.9-37.4174.7-69.2165.3000111.2R314 Y315R314-I318 WeakPolarHBondContact O-CG1 3.33Å; R314-I318 PolarHBondContact O-N 3.08Å; Y315-I318 PolarHBondContact O-N 3.23Å
319I98.1Very high98.2Very high37 Ų3728.5 Ų28.519%0.1914%0.14CC..Hα-helixtrans-78.5-34.4-178.3-64.3160.3000112.5F230 Y315 A316 H317F230-I319 HydrophobicContact CB-CD1 3.67Å; F230-I319 HydrophobicContact CD1-CD1 4.38Å; F230-I319 HydrophobicContact CD2-CD1 4.32Å; F230-I319 HydrophobicContact CD2-CG2 4.05Å; F230-I319 HydrophobicContact CE2-CG2 4.23Å; F230-I319 HydrophobicContact CG-CD1 3.88Å; Y315-I319 HydrophobicContact CD1-CD1 4.06Å; Y315-I319 HydrophobicContact CD2-CD1 4.49Å; Y315-I319 HydrophobicContact CE1-CD1 3.58Å; Y315-I319 HydrophobicContact CE2-CD1 4.09Å; Y315-I319 PolarHBondContact O-N 3.49Å; A316-I319 PolarHBondContact O-N 3.21Å; H317-I319 PolarHBondContact O-N 2.95Å
320N98.4Very high98.1Very high4 Ų428.5 Ų28.52%0.02114%0.14CC..Hα-helixtrans-116.6-13.8-165.2-65-72.8000115.2L13 S242 V243 A316 H317 F322L13-N320 HydrophobicContact CD1-CB 4.4Å; L13-N320 VanDerWaalsContact CD1-OD1 3.23Å; L13-N320 WeakPolarHBondContact CD1-OD1 3.48Å; S242-N320 WeakPolarHBondContact CA-OD1 3.35Å; S242-N320 WeakPolarHBondContact CB-OD1 3.46Å; V243-N320 PolarHBondContact N-OD1 3.31Å; A316-N320 WeakPolarHBondContact O-CB 3.37Å; A316-N320 PolarHBondContact O-N 3.34Å; A316-N320 VanDerWaalsContact O-N 3.13Å; A316-N320 PolarHBondContact O-ND2 2.9Å; H317-N320 PolarHBondContact O-N 3.25Å; H317-N320 VanDerWaalsContact O-N 3.16Å; N320-F322 HydrophobicContact CB-CD1 4.1Å; N320-F322 HydrophobicContact CB-CE1 3.59Å; N320-F322 HydrophobicContact CB-CE2 4.28Å; N320-F322 HydrophobicContact CB-CZ 3.69Å; N320-F322 PolarHBondContact O-N 3.17Å
321D97.9Very high98.1Very high115 Ų11530 Ų3062%0.61515%0.148SC*.  trans50.356.6-179.5-165.429.2000113.2H317 N323H317-D321 IonicContact CE1-OD1 3.44Å; H317-D321 WeakPolarHBondContact O-CA 3.27Å; H317-D321 PolarHBondContact O-N 3.23Å; D321-N323 PolarHBondContact O-N 3.37Å
322F98.6Very high98Very high5 Ų530 Ų302%0.02215%0.148CC..  trans-56.6125.7-179.4-59.2-55.7000112.6L13 A15 V260 G262 A316 H317 N320 L325 I407L13-F322 HydrophobicContact CB-CE1 4.21Å; A15-F322 HydrophobicContact CB-CE2 3.71Å; A15-F322 HydrophobicContact CB-CZ 3.91Å; V260-F322 HydrophobicContact CG1-CD1 3.85Å; V260-F322 HydrophobicContact CG1-CE1 4.09Å; V260-F322 CarbonylContact O-C 3.55Å; V260-F322 WeakPolarHBondContact O-CA 3.42Å; G262-F322 VanDerWaalsContact CA-CD1 3.45Å; G262-F322 VanDerWaalsContact N-CD1 3.32Å; A316-F322 HydrophobicContact CB-CE2 4.03Å; A316-F322 HydrophobicContact CB-CZ 4.43Å; H317-F322 HydrophobicContact CB-CD2 3.92Å; H317-F322 HydrophobicContact CB-CE2 4.39Å; H317-F322 PolarHBondContact CE1-O 2.89Å; H317-F322 AromaticContact ND1-CD2 3.94Å; H317-F322 PolarHBondContact ND1-N 3.32Å; H317-F322 VanDerWaalsContact ND1-N 3.12Å; N320-F322 HydrophobicContact CB-CD1 4.1Å; N320-F322 HydrophobicContact CB-CE1 3.59Å; N320-F322 HydrophobicContact CB-CE2 4.28Å; N320-F322 HydrophobicContact CB-CZ 3.69Å; N320-F322 PolarHBondContact O-N 3.17Å; F322-L325 HydrophobicContact CB-CD2 4.19Å; F322-L325 HydrophobicContact CD2-CD2 4.08Å; F322-L325 HydrophobicContact CG-CD2 4.2Å; F322-I407 HydrophobicContact CB-CG2 4.36Å
323N98.4Very high98Very high77 Ų7730 Ų3041%0.41215%0.148SC..SBendtrans-76-31.9173.8-59106.8000112.8R259 V260 D321 P408R259-N323 WeakPolarHBondContact CA-OD1 3.5Å; V260-N323 PolarHBondContact N-OD1 3.21Å; V260-N323 PolarHBondContact O-N 2.9Å; V260-N323 PolarHBondContact O-OD1 3.46Å; D321-N323 PolarHBondContact O-N 3.37Å; N323-P408 WeakPolarHBondContact O-CG 3.34Å
324A98.6Very high98Very high5 Ų530.2 Ų30.24%0.04115%0.149CC..EExtended strand (participates in β ladder)trans-159.2160.6176.200000110.5Y261 G262 P408 R410 W411Y261-A324 WeakPolarHBondContact CA-O 3.42Å; Y261-A324 HydrophobicContact CD1-CB 4.14Å; Y261-A324 HydrophobicContact CE1-CB 4.45Å; G262-A324 PolarHBondContact N-O 3.08Å; A324-P408 CarbonylContact C-O 3.4Å; A324-P408 VanDerWaalsContact CA-O 3.27Å; A324-P408 WeakPolarHBondContact CA-O 3.3Å; A324-P408 HydrophobicContact CB-CG 4.26Å; A324-R410 HydrophobicContact CB-CB 3.83Å; A324-W411 HydrophobicContact CB-CZ3 4.35Å
325L98.8Very high97.9Very high0 Ų031.5 Ų31.50%016%0.161CC..EExtended strand (participates in β ladder)trans-109.9147.4177.5-59.3175.7000112G262 I264 I313 F322 L405 I407 P408 I409 R410 W411G262-L325 CarbonylContact O-C 3.58Å; G262-L325 VanDerWaalsContact O-CA 3.25Å; G262-L325 WeakPolarHBondContact O-CA 3.35Å; I264-L325 HydrophobicContact CD1-CD1 4.04Å; I313-L325 HydrophobicContact CG2-CD1 4.48Å; F322-L325 HydrophobicContact CB-CD2 4.19Å; F322-L325 HydrophobicContact CD2-CD2 4.08Å; F322-L325 HydrophobicContact CG-CD2 4.2Å; L325-L405 HydrophobicContact CD1-CD1 3.51Å; L325-I407 HydrophobicContact CD1-CB 4.09Å; L325-I407 HydrophobicContact CD1-CD1 4.27Å; L325-I407 HydrophobicContact CD1-CG2 4.14Å; L325-I407 HydrophobicContact CD2-CG2 4.33Å; L325-I407 HydrophobicContact CG-CB 4.25Å; L325-I407 HydrophobicContact CG-CG2 3.73Å; L325-P408 PolarHBondContact N-O 3.19Å; L325-I409 HydrophobicContact CB-CG1 4.16Å; L325-I409 CarbonylContact O-C 3.4Å; L325-R410 PolarHBondContact O-N 3.39Å; L325-W411 PolarHBondContact O-N 3.29Å
326A98.4Very high97.9Very high2 Ų230.2 Ų30.22%0.01716%0.157CC..EExtended strand (participates in β ladder)trans-102.9117.5158.500000109L25 G262 V263 I264 W411L25-A326 HydrophobicContact CD1-CB 4.3Å; L25-A326 HydrophobicContact CD2-CB 3.78Å; L25-A326 HydrophobicContact CG-CB 4.45Å; G262-A326 PolarHBondContact O-N 3.46Å; V263-A326 HydrophobicContact CG1-CB 4.34Å; I264-A326 PolarHBondContact N-O 2.93Å; A326-W411 CarbonylContact C-O 3.53Å; A326-W411 WeakPolarHBondContact CA-O 3.26Å; A326-W411 HydrophobicContact CB-CB 3.82Å; A326-W411 HydrophobicContact CB-CD2 4.49Å; A326-W411 HydrophobicContact CB-CE3 4Å; A326-W411 HydrophobicContact CB-CG 4.46Å
327L98.5Very high97.9Very high0 Ų036.7 Ų36.70%019%0.187CC..EExtended strand (participates in β ladder)trans-92.7113.7174.2-179.872000109.2I264 A266 I330 F397 V398 I409 W411 I412 G413I264-L327 HydrophobicContact CD1-CD1 3.73Å; I264-L327 HydrophobicContact CG1-CB 4.46Å; I264-L327 HydrophobicContact CG1-CD1 3.92Å; I264-L327 CarbonylContact O-C 3.57Å; I264-L327 WeakPolarHBondContact O-CA 3.44Å; A266-L327 HydrophobicContact CB-CD1 3.99Å; A266-L327 HydrophobicContact CB-CG 4.4Å; L327-I330 HydrophobicContact CD2-CD1 4.09Å; L327-F397 HydrophobicContact CD1-CE1 4.44Å; L327-F397 HydrophobicContact CD2-CD1 4.39Å; L327-F397 HydrophobicContact CD2-CE1 4.09Å; L327-V398 HydrophobicContact CD2-CG2 3.9Å; L327-I409 HydrophobicContact CB-CD1 4.44Å; L327-I409 HydrophobicContact CB-CG2 3.77Å; L327-I409 HydrophobicContact CD2-CD1 4.36Å; L327-W411 PolarHBondContact N-O 2.94Å; L327-I412 CarbonylContact O-C 3.53Å; L327-I412 WeakPolarHBondContact O-CA 3.36Å; L327-G413 PolarHBondContact O-N 3.4Å
328T97Very high97.9Very high13 Ų1338.2 Ų38.28%0.0820%0.195CC..EExtended strand (participates in β ladder)trans-105.6157.3-177.370.50000112.4E20 V263 I264 K265 A266 I330E20-T328 WeakPolarHBondContact O-CB 3.3Å; E20-T328 WeakPolarHBondContact O-CG2 3.5Å; E20-T328 PolarHBondContact O-OG1 3.45Å; V263-T328 HydrophobicContact CG1-CG2 3.85Å; I264-T328 PolarHBondContact O-N 3.17Å; I264-T328 PolarHBondContact O-OG1 2.82Å; K265-T328 CarbonylContact C-O 3.49Å; K265-T328 WeakPolarHBondContact CA-O 3.47Å; K265-T328 WeakPolarHBondContact CA-OG1 3.32Å; A266-T328 PolarHBondContact N-O 2.95Å; T328-I330 VanDerWaalsContact C-N 3.33Å; T328-I330 PolarHBondContact O-N 3.01Å
329K95.9Very high97.9Very high55 Ų5532.3 Ų32.324%0.23916%0.164CC..  trans57.139.2174-60-168.9172.8177.30114.3K265 Y267 G292 E294 D331 V332 G413K265-K329 HydrophobicContact CD-CD 3.97Å; K265-K329 HydrophobicContact CG-CB 4Å; K265-K329 HydrophobicContact CG-CD 4.26Å; K265-K329 HydrophobicContact CG-CG 4.38Å; Y267-K329 HydrophobicContact CE1-CB 4Å; Y267-K329 WeakPolarHBondContact OH-CD 3.42Å; G292-K329 PolarHBondContact O-NZ 2.97Å; G292-K329 VanDerWaalsContact O-NZ 3.13Å; E294-K329 VanDerWaalsContact CD-NZ 3.33Å; E294-K329 IonicContact OE1-NZ 3.13Å; E294-K329 PolarHBondContact OE1-NZ 3.39Å; E294-K329 IonicContact OE2-NZ 3.27Å; E294-K329 PolarHBondContact OE2-NZ 3.33Å; K329-D331 WeakPolarHBondContact CA-OD1 3.46Å; K329-D331 PolarHBondContact O-N 3.46Å; K329-V332 HydrophobicContact CB-CG2 3.91Å; K329-V332 HydrophobicContact CD-CG2 4.34Å; K329-V332 HydrophobicContact CG-CG2 4.48Å; K329-V332 PolarHBondContact O-N 3.18Å; K329-G413 PolarHBondContact N-O 2.94Å
330I97.6Very high97.9Very high0 Ų033.1 Ų33.10%017%0.166CC..G310 helixtrans-64.6-32.9172.6-158.3172.9000110.3A266 L327 T328 V332 L333 W377 A394 F397 V398 I412 G413 T414A266-I330 HydrophobicContact CB-CB 4.37Å; A266-I330 HydrophobicContact CB-CG1 4.44Å; L327-I330 HydrophobicContact CD2-CD1 4.09Å; T328-I330 VanDerWaalsContact C-N 3.33Å; T328-I330 PolarHBondContact O-N 3.01Å; I330-V332 PolarHBondContact O-N 3.4Å; I330-V332 VanDerWaalsContact O-N 3.11Å; I330-L333 WeakPolarHBondContact O-CB 3.22Å; I330-L333 PolarHBondContact O-N 3.41Å; I330-W377 HydrophobicContact CD1-CH2 4.27Å; I330-W377 HydrophobicContact CD1-CZ2 4.45Å; I330-W377 HydrophobicContact CG1-CH2 3.72Å; I330-W377 HydrophobicContact CG1-CZ2 3.75Å; I330-W377 WeakPolarHBondContact O-CZ2 3.4Å; I330-A394 HydrophobicContact CD1-CB 4.42Å; I330-F397 HydrophobicContact CD1-CD1 4.13Å; I330-V398 HydrophobicContact CD1-CG2 3.93Å; I330-I412 HydrophobicContact CD1-CG2 4.41Å; I330-I412 HydrophobicContact CG2-CG2 4Å; I330-G413 WeakPolarHBondContact CG2-O 3.49Å; I330-G413 PolarHBondContact N-O 3.34Å; I330-T414 HydrophobicContact CG2-CG2 4.13Å
331D96.8Very high97.9Very high31 Ų3132.9 Ų32.917%0.16617%0.165CC..G310 helixtrans-56.9-26.8178.355.5-70.8000114.5K291 K329 L333 D334 T381 G415K291-D331 WeakPolarHBondContact CE-O 3.4Å; K291-D331 PolarHBondContact NZ-O 3Å; K291-D331 VanDerWaalsContact NZ-O 3.13Å; K329-D331 WeakPolarHBondContact CA-OD1 3.46Å; K329-D331 PolarHBondContact O-N 3.46Å; D331-L333 PolarHBondContact O-N 3.17Å; D331-D334 WeakPolarHBondContact CA-OD1 3.3Å; D331-D334 WeakPolarHBondContact O-CB 3.42Å; D331-D334 PolarHBondContact O-N 3.2Å; D331-T381 VanDerWaalsContact CA-OG1 3.24Å; D331-T381 WeakPolarHBondContact CA-OG1 3.31Å; D331-G415 PolarHBondContact OD1-N 3.5Å; D331-G415 VanDerWaalsContact OD1-N 3.13Å
332V97.4Very high98Very high4 Ų427.4 Ų27.42%0.02414%0.136CC..G310 helixtrans-66-29176.6178.10000111.2Y267 I288 K291 K329 I330 D334Y267-V332 HydrophobicContact CE1-CB 3.72Å; Y267-V332 HydrophobicContact CE1-CG1 3.76Å; Y267-V332 HydrophobicContact CE1-CG2 4.14Å; I288-V332 HydrophobicContact CG2-CG1 3.92Å; K291-V332 HydrophobicContact CB-CG1 4.17Å; K291-V332 VanDerWaalsContact CD-O 3.29Å; K291-V332 WeakPolarHBondContact CD-O 3.32Å; K291-V332 WeakPolarHBondContact CE-O 3.3Å; K291-V332 HydrophobicContact CG-CG1 4.2Å; K291-V332 PolarHBondContact NZ-O 3.24Å; K291-V332 VanDerWaalsContact NZ-O 3.16Å; K329-V332 HydrophobicContact CB-CG2 3.91Å; K329-V332 HydrophobicContact CD-CG2 4.34Å; K329-V332 HydrophobicContact CG-CG2 4.48Å; K329-V332 PolarHBondContact O-N 3.18Å; I330-V332 PolarHBondContact O-N 3.4Å; I330-V332 VanDerWaalsContact O-N 3.11Å; V332-D334 VanDerWaalsContact C-N 3.32Å; V332-D334 PolarHBondContact O-N 2.89Å
333L98.3Very high97.9Very high0 Ų030.3 Ų30.30%015%0.148CC..G310 helixtrans-85.9-1.6-178.9-53.2-176.5000113.3A266 Y267 I288 I330 D331 D335 L336 V339 W377 F397A266-L333 HydrophobicContact CB-CD1 3.82Å; A266-L333 HydrophobicContact CB-CG 4.49Å; Y267-L333 HydrophobicContact CD1-CD2 3.91Å; Y267-L333 HydrophobicContact CD1-CG 4.37Å; I288-L333 HydrophobicContact CD1-CD2 3.95Å; I288-L333 HydrophobicContact CG1-CD2 4.27Å; I330-L333 WeakPolarHBondContact O-CB 3.22Å; I330-L333 PolarHBondContact O-N 3.41Å; D331-L333 PolarHBondContact O-N 3.17Å; L333-D335 PolarHBondContact O-N 2.84Å; L333-L336 HydrophobicContact CB-CD1 4.18Å; L333-L336 HydrophobicContact CD2-CD1 3.76Å; L333-L336 PolarHBondContact O-N 2.86Å; L333-V339 HydrophobicContact CB-CG1 4.28Å; L333-V339 HydrophobicContact CD1-CG1 4.31Å; L333-W377 HydrophobicContact CB-CH2 3.54Å; L333-W377 HydrophobicContact CB-CZ2 3.63Å; L333-W377 HydrophobicContact CD1-CH2 4.13Å; L333-W377 HydrophobicContact CG-CH2 4.43Å; L333-F397 HydrophobicContact CD1-CZ 4.38Å
334D98.2Very high97.9Very high5 Ų526.9 Ų26.93%0.02713%0.131CC..THydrogen-bonded Turntrans-53.5-32.5-170.6-73.4-13.4000115.8D331 V332 W377 K378 T379 S380 T381D331-D334 WeakPolarHBondContact CA-OD1 3.3Å; D331-D334 WeakPolarHBondContact O-CB 3.42Å; D331-D334 PolarHBondContact O-N 3.2Å; V332-D334 VanDerWaalsContact C-N 3.32Å; V332-D334 PolarHBondContact O-N 2.89Å; D334-W377 VanDerWaalsContact CA-NE1 3.35Å; D334-W377 PolarHBondContact OD1-NE1 2.96Å; D334-K378 CarbonylContact O-C 3.55Å; D334-K378 WeakPolarHBondContact O-CA 3.32Å; D334-K378 PolarHBondContact O-N 2.85Å; D334-T379 PolarHBondContact O-N 3.44Å; D334-S380 WeakPolarHBondContact OD2-CA 3.21Å; D334-S380 PolarHBondContact OD2-OG 3.41Å; D334-T381 VanDerWaalsContact CG-N 3.31Å; D334-T381 WeakPolarHBondContact OD1-CB 3.28Å; D334-T381 VanDerWaalsContact OD1-CG2 3.27Å; D334-T381 WeakPolarHBondContact OD1-CG2 3.2Å; D334-T381 PolarHBondContact OD1-N 2.85Å; D334-T381 PolarHBondContact OD1-OG1 3.1Å; D334-T381 PolarHBondContact OD2-N 2.94Å; D334-T381 PolarHBondContact OD2-OG1 3.28Å
335D97.1Very high97.9Very high95 Ų9526.7 Ų26.751%0.50813%0.129SC..THydrogen-bonded Turntrans-99.44-171.1-51.5-45.9000113.4F287 K291 L333F287-D335 HydrophobicContact CZ-CB 3.94Å; K291-D335 WeakPolarHBondContact CE-OD2 3.26Å; K291-D335 VanDerWaalsContact NZ-CG 3.33Å; K291-D335 IonicContact NZ-OD1 2.68Å; K291-D335 IonicContact NZ-OD2 3.7Å; K291-D335 PolarHBondContact NZ-OD2 2.9Å; L333-D335 PolarHBondContact O-N 2.84Å
336L97.9Very high97.9Very high18 Ų1828.5 Ų28.59%0.09414%0.138CC..  trans-79.2146.1-177.2-62.5177.8000111.4I284 F287 I288 W307 L333 V339 G376I284-L336 HydrophobicContact CG2-CD2 4.22Å; F287-L336 HydrophobicContact CD1-CD2 3.76Å; F287-L336 HydrophobicContact CE1-CD2 3.77Å; F287-L336 HydrophobicContact CE1-CG 4.37Å; I288-L336 HydrophobicContact CD1-CD1 4.17Å; I288-L336 HydrophobicContact CG1-CD1 4.41Å; W307-L336 HydrophobicContact CH2-CD1 4.1Å; W307-L336 HydrophobicContact CZ3-CD1 4.17Å; L333-L336 HydrophobicContact CB-CD1 4.18Å; L333-L336 HydrophobicContact CD2-CD1 3.76Å; L333-L336 PolarHBondContact O-N 2.86Å; L336-V339 HydrophobicContact CB-CG1 4.28Å; L336-V339 HydrophobicContact CD1-CG1 4.09Å; L336-G376 WeakPolarHBondContact O-CA 3.28Å
337E97.6Very high97.8Very high135 Ų13529.9 Ų29.963%0.63115%0.145SC*.SBendtrans-70.4-41172.6-65-70.3163.500111.9G376 K378E337-G376 WeakPolarHBondContact O-CA 3.23Å; E337-G376 PolarHBondContact O-N 3.34Å; E337-K378 WeakPolarHBondContact OE1-CE 3.4Å; E337-K378 IonicContact OE1-NZ 2.7Å; E337-K378 PolarHBondContact OE1-NZ 2.9Å; E337-K378 WeakPolarHBondContact OE2-CE 3.41Å; E337-K378 IonicContact OE2-NZ 2.7Å; E337-K378 PolarHBondContact OE2-NZ 3.38Å
338E98Very high97.5Very high78 Ų7833.2 Ų33.236%0.36417%0.167SC..EExtended strand (participates in β ladder)trans-141.9151.8-179.762175.6-147.200109.4K340 T373 L374E338-K340 WeakPolarHBondContact OE1-CE 3.42Å; E338-K340 IonicContact OE1-NZ 2.6Å; E338-K340 PolarHBondContact OE1-NZ 3.47Å; E338-T373 HydrophobicContact CB-CG2 4.17Å; E338-L374 WeakPolarHBondContact CA-O 3.12Å
339V98.4Very high97.3Very high0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-125.1143172.3-62.90000109.1W307 L333 L336 L374 W377 F397W307-V339 HydrophobicContact CZ3-CB 4.26Å; W307-V339 HydrophobicContact CZ3-CG1 4.48Å; L333-V339 HydrophobicContact CB-CG1 4.28Å; L333-V339 HydrophobicContact CD1-CG1 4.31Å; L336-V339 HydrophobicContact CB-CG1 4.28Å; L336-V339 HydrophobicContact CD1-CG1 4.09Å; V339-L374 HydrophobicContact CG2-CB 3.9Å; V339-L374 PolarHBondContact N-O 3.13Å; V339-L374 PolarHBondContact O-N 3.49Å; V339-W377 HydrophobicContact CG1-CZ3 4.13Å; V339-W377 HydrophobicContact CG2-CZ3 4.24Å; V339-F397 HydrophobicContact CB-CD2 4.44Å; V339-F397 HydrophobicContact CG2-CD2 3.62Å; V339-F397 HydrophobicContact CG2-CE2 4.14Å
340K98.6Very high97.2Very high53 Ų5342.2 Ų42.223%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-117.5145.8-179.7-65.1175.2179.9154.50111.2W307 E338 Y371 E372 T373W307-K340 WeakPolarHBondContact CB-O 3.46Å; W307-K340 HydrophobicContact CD2-CB 3.71Å; W307-K340 HydrophobicContact CE3-CB 4.24Å; W307-K340 HydrophobicContact CG-CB 3.83Å; W307-K340 HydrophobicContact CZ2-CB 4.4Å; W307-K340 HydrophobicContact CZ2-CD 4.49Å; W307-K340 HydrophobicContact CZ2-CG 4.47Å; E338-K340 WeakPolarHBondContact OE1-CE 3.42Å; E338-K340 IonicContact OE1-NZ 2.6Å; E338-K340 PolarHBondContact OE1-NZ 3.47Å; K340-Y371 HydrophobicContact CB-CD1 3.77Å; K340-Y371 HydrophobicContact CB-CG 4.22Å; K340-Y371 HydrophobicContact CD-CG 4.43Å; K340-E372 CarbonylContact C-O 3.49Å; K340-E372 WeakPolarHBondContact CA-O 3.46Å; K340-T373 HydrophobicContact CG-CG2 4.23Å
341I98.8Very high97.1Very high0 Ų044.9 Ų44.90%024%0.242CC..EExtended strand (participates in β ladder)trans-121.7117.5173.6-57.5169.2000107.7L308 T310 K343 Y371 E372 L374 F397 T400 V401 L404L308-I341 HydrophobicContact CB-CG2 4.5Å; L308-I341 HydrophobicContact CD2-CG1 4.38Å; L308-I341 HydrophobicContact CD2-CG2 4.32Å; L308-I341 HydrophobicContact CG-CG2 4.42Å; L308-I341 CarbonylContact O-C 3.58Å; L308-I341 WeakPolarHBondContact O-CA 3.46Å; T310-I341 HydrophobicContact CG2-CG2 3.47Å; T310-I341 VanDerWaalsContact CG2-CG2 3.47Å; I341-K343 PolarHBondContact O-N 2.66Å; I341-K343 VanDerWaalsContact O-N 3.15Å; I341-Y371 CarbonylContact O-C 3.58Å; I341-Y371 VanDerWaalsContact O-CA 3.29Å; I341-Y371 WeakPolarHBondContact O-CA 3.2Å; I341-E372 HydrophobicContact CB-CB 4.4Å; I341-E372 PolarHBondContact N-O 2.81Å; I341-E372 PolarHBondContact O-N 2.81Å; I341-L374 HydrophobicContact CD1-CD1 3.85Å; I341-F397 HydrophobicContact CD1-CD2 3.96Å; I341-F397 HydrophobicContact CD1-CE2 3.82Å; I341-F397 HydrophobicContact CG1-CD2 4.25Å; I341-F397 HydrophobicContact CG1-CE2 3.7Å; I341-F397 HydrophobicContact CG1-CZ 4.49Å; I341-T400 HydrophobicContact CD1-CG2 3.96Å; I341-V401 HydrophobicContact CD1-CG2 3.69Å; I341-L404 HydrophobicContact CB-CD1 4.41Å; I341-L404 HydrophobicContact CD1-CD1 4.41Å; I341-L404 HydrophobicContact CG2-CD1 3.78Å
342A98.6Very high97Very high0 Ų052.3 Ų52.30%027%0.268CS..EExtended strand (participates in β ladder)trans-66.2112.3170.600000108.4L308 D309 T310 V369 Y371L308-A342 PolarHBondContact O-N 2.98Å; D309-A342 HydrophobicContact CB-CB 4.3Å; T310-A342 PolarHBondContact N-O 3.02Å; T310-A342 PolarHBondContact OG1-O 3.36Å; A342-V369 HydrophobicContact CB-CG1 3.36Å; A342-Y371 HydrophobicContact CB-CD1 4.05Å; A342-Y371 HydrophobicContact CB-CE1 3.73Å
343K98.3Very high97.1Very high65 Ų6557.8 Ų57.828%0.28329%0.293SS..EExtended strand (participates in β ladder)trans-104.2-29.3-173.364.8171.1173.2-170.90113.9T310 R314 I341 V370 E372 L404T310-K343 WeakPolarHBondContact OG1-CA 3.44Å; R314-K343 PolarHBondContact NH1-O 2.93Å; R314-K343 PolarHBondContact NH2-O 2.91Å; I341-K343 PolarHBondContact O-N 2.66Å; I341-K343 VanDerWaalsContact O-N 3.15Å; K343-V370 HydrophobicContact CG-CB 4.49Å; K343-V370 HydrophobicContact CG-CG1 4.2Å; K343-V370 WeakPolarHBondContact CG-O 3.44Å; K343-V370 PolarHBondContact N-O 3.01Å; K343-E372 HydrophobicContact CD-CB 4.23Å; K343-E372 IonicContact NZ-OE2 3.17Å; K343-E372 PolarHBondContact NZ-OE2 2.64Å; K343-L404 HydrophobicContact CB-CD1 4.33Å; K343-L404 HydrophobicContact CB-CD2 4.19Å
344A98.4Very high97Very high5 Ų559.6 Ų59.64%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-151.6159.7-178.200000111.2E353 V370A344-E353 HydrophobicContact CB-CG 3.98Å; A344-E353 WeakPolarHBondContact CB-OE1 3.22Å; A344-V370 HydrophobicContact CB-CB 4.16Å; A344-V370 HydrophobicContact CB-CG2 4.5Å; A344-V370 PolarHBondContact N-O 3.14Å; A344-V370 PolarHBondContact O-N 3.04Å
345Y98.3Very high96.8Very high1 Ų167.6 Ų67.60%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-116.3132.1171.4-66.1-22.3000109.2P277 D309 V311 E353 L354 F357 L364 V367 V369P277-Y345 HydrophobicContact CB-CE1 3.81Å; P277-Y345 HydrophobicContact CG-CE1 4.33Å; P277-Y345 HydrophobicContact CG-CE2 4.34Å; P277-Y345 WeakPolarHBondContact CG-OH 3.36Å; D309-Y345 PolarHBondContact OD1-OH 3.28Å; D309-Y345 PolarHBondContact OD2-OH 3.12Å; V311-Y345 HydrophobicContact CB-CD2 4.25Å; V311-Y345 HydrophobicContact CB-CE1 4.28Å; V311-Y345 HydrophobicContact CB-CE2 3.94Å; V311-Y345 HydrophobicContact CG1-CD2 3.69Å; V311-Y345 HydrophobicContact CG1-CE2 3.64Å; V311-Y345 HydrophobicContact CG1-CG 4.27Å; V311-Y345 HydrophobicContact CG2-CD1 4.04Å; V311-Y345 HydrophobicContact CG2-CD2 4.38Å; V311-Y345 HydrophobicContact CG2-CE1 4.05Å; V311-Y345 HydrophobicContact CG2-CE2 4.4Å; V311-Y345 HydrophobicContact CG2-CG 4.2Å; Y345-E353 WeakPolarHBondContact O-CA 3.13Å; Y345-L354 PolarHBondContact O-N 2.61Å; Y345-F357 AromaticContact CE2-CD2 3.94Å; Y345-F357 HydrophobicContact CE2-CD2 3.94Å; Y345-F357 HydrophobicContact CE2-CE2 4.3Å; Y345-L364 HydrophobicContact CE2-CD1 3.95Å; Y345-V367 HydrophobicContact CD1-CG2 4.09Å; Y345-V367 HydrophobicContact CD2-CG2 4.25Å; Y345-V367 HydrophobicContact CE1-CG2 4.45Å; Y345-V367 HydrophobicContact CG-CB 4.22Å; Y345-V367 HydrophobicContact CG-CG1 4.44Å; Y345-V367 HydrophobicContact CG-CG2 3.99Å; Y345-V369 HydrophobicContact CD1-CB 4.49Å; Y345-V369 HydrophobicContact CD1-CG1 4.33Å; Y345-V369 HydrophobicContact CD1-CG2 4.02Å; Y345-V369 HydrophobicContact CE1-CG1 4.2Å; Y345-V369 HydrophobicContact CE1-CG2 3.9Å
346I98.1Very high96.7Very high39 Ų3964.9 Ų64.920%0.233%0.334CS..EExtended strand (participates in β ladder)trans-105.6129.9172.1-53.5-56.8000108.4R352 E353 V368 V370I346-R352 WeakPolarHBondContact CA-O 3.4Å; I346-E353 HydrophobicContact CD1-CB 3.72Å; I346-E353 HydrophobicContact CD1-CG 4.17Å; I346-V368 HydrophobicContact CB-CB 4.27Å; I346-V368 PolarHBondContact N-O 3.17Å; I346-V368 PolarHBondContact O-N 3.04Å; I346-V370 HydrophobicContact CD1-CG2 4.14Å; I346-V370 HydrophobicContact CG1-CG2 3.58Å
347D95.5Very high96.5Very high30 Ų3064.8 Ų64.816%0.1633%0.333CS..  trans-69.9119167.6172.3-0.7000109.2E349 T350 G351 R352 L354D347-E349 PolarHBondContact O-N 2.79Å; D347-E349 WeakPolarHBondContact OD1-CB 3.27Å; D347-E349 PolarHBondContact OD1-N 3.1Å; D347-T350 WeakPolarHBondContact CB-OG1 3.34Å; D347-T350 VanDerWaalsContact CG-OG1 3.25Å; D347-T350 VanDerWaalsContact OD2-CG2 3.31Å; D347-T350 WeakPolarHBondContact OD2-CG2 3.21Å; D347-T350 PolarHBondContact OD2-OG1 3.41Å; D347-G351 VanDerWaalsContact O-CA 3.26Å; D347-G351 WeakPolarHBondContact O-CA 3.48Å; D347-G351 PolarHBondContact O-N 3.5Å; D347-R352 PolarHBondContact N-O 2.77Å; D347-L354 HydrophobicContact CB-CD2 4Å
348P92.9Very high96.3Very high70 Ų7059.4 Ų59.446%0.45531%0.309SS..THydrogen-bonded Turntrans-66.6-23.8-177.530.3-38000113.5H366 V368P348-H366 HydrophobicContact CG-CB 4.24Å; P348-H366 WeakPolarHBondContact CG-O 3.39Å; P348-V368 HydrophobicContact CB-CG2 4.34Å
349E92.1Very high96.1Very high179 Ų17961.9 Ų61.984%0.83634%0.335SS*.THydrogen-bonded Turntrans-79.6-41.7-178.1-61.2-172.2173.200111.4D347D347-E349 PolarHBondContact O-N 2.79Å; D347-E349 WeakPolarHBondContact OD1-CB 3.27Å; D347-E349 PolarHBondContact OD1-N 3.1Å
350T94.1Very high95.7Very high78 Ų7865.6 Ų65.648%0.47936%0.355SS..THydrogen-bonded Turntrans-98.8-17-176.264.90000113.6D347 R352D347-T350 WeakPolarHBondContact CB-OG1 3.34Å; D347-T350 VanDerWaalsContact CG-OG1 3.25Å; D347-T350 VanDerWaalsContact OD2-CG2 3.31Å; D347-T350 WeakPolarHBondContact OD2-CG2 3.21Å; D347-T350 PolarHBondContact OD2-OG1 3.41Å; T350-R352 PolarHBondContact O-N 3.19Å; T350-R352 PolarHBondContact OG1-N 3.03Å
351G95.1Very high95.2Very high56 Ų5664.4 Ų64.458%0.57735%0.354SS*.  trans68.49.5-172.700000113.9D347D347-G351 VanDerWaalsContact O-CA 3.26Å; D347-G351 WeakPolarHBondContact O-CA 3.48Å; D347-G351 PolarHBondContact O-N 3.5Å
352R96.5Very high94.7Very high187 Ų18767.2 Ų67.271%0.70637%0.373SS*.PPolyproline II helixtrans-91.1146.1-176.8-64.9-177.9-179.7-177.80.6111.4I346 D347 T350I346-R352 WeakPolarHBondContact CA-O 3.4Å; D347-R352 PolarHBondContact N-O 2.77Å; T350-R352 PolarHBondContact O-N 3.19Å; T350-R352 PolarHBondContact OG1-N 3.03Å
353E97.7Very high94.4Very high120 Ų12069.6 Ų69.656%0.56139%0.388SS*.BIsolated β-bridgetrans-69.2133.3167.2-173.3169.9156.100110.1A344 Y345 I346A344-E353 HydrophobicContact CB-CG 3.98Å; A344-E353 WeakPolarHBondContact CB-OE1 3.22Å; Y345-E353 WeakPolarHBondContact O-CA 3.13Å; I346-E353 HydrophobicContact CD1-CB 3.72Å; I346-E353 HydrophobicContact CD1-CG 4.17Å
354L96.9Very high94.2Very high38 Ų3866.7 Ų66.720%0.19938%0.375CS..PPolyproline II helixtrans-78.2133.4175.1-61-176.1000110.2Y345 D347 S356 P358 V363 V367Y345-L354 PolarHBondContact O-N 2.61Å; D347-L354 HydrophobicContact CB-CD2 4Å; L354-S356 PolarHBondContact O-N 3.24Å; L354-P358 HydrophobicContact CD1-CB 4.25Å; L354-P358 HydrophobicContact CD1-CG 3.97Å; L354-V363 HydrophobicContact CD1-CG1 4.2Å; L354-V367 HydrophobicContact CD1-CG1 3.69Å
355D94.3Very high93.9Very high172 Ų17271.1 Ų71.192%0.9240%0.398SS*.SBendtrans-63.8-26.5179.8-65.6-33.3000113.2
356S94.5Very high93.7Very high39 Ų3977.2 Ų77.227%0.27343%0.427SS..SBendtrans-157.6175.5-175.1-176.80000111Y315 L354 P358Y315-S356 VanDerWaalsContact CD2-OG 3.29Å; Y315-S356 WeakPolarHBondContact CD2-OG 3.26Å; L354-S356 PolarHBondContact O-N 3.24Å; S356-P358 WeakPolarHBondContact O-CD 3.46Å
357F94.9Very high93.6Very high15 Ų1576.1 Ų76.17%0.06642%0.422CS..  trans-56.7120.4168.1-165.7-87.7000110.6W17 M225 T232 V312 Y315 Y345 L364W17-F357 AromaticContact CH2-CE2 3.94Å; W17-F357 HydrophobicContact CH2-CE2 3.94Å; W17-F357 HydrophobicContact CH2-CZ 4.21Å; W17-F357 HydrophobicContact CZ2-CE2 4.02Å; W17-F357 AromaticContact CZ2-CZ 3.81Å; W17-F357 HydrophobicContact CZ2-CZ 3.81Å; M225-F357 HydrophobicContact CE-CD1 3.73Å; M225-F357 HydrophobicContact CE-CD2 4.1Å; M225-F357 HydrophobicContact CE-CE1 3.37Å; M225-F357 HydrophobicContact CE-CE2 3.79Å; M225-F357 HydrophobicContact CE-CG 4.06Å; M225-F357 HydrophobicContact CE-CZ 3.38Å; T232-F357 HydrophobicContact CG2-CE1 3.89Å; T232-F357 HydrophobicContact CG2-CZ 3.68Å; V312-F357 HydrophobicContact CG2-CD2 3.7Å; V312-F357 HydrophobicContact CG2-CE2 3.59Å; Y315-F357 HydrophobicContact CD1-CB 3.99Å; Y315-F357 HydrophobicContact CD1-CG 4.39Å; Y315-F357 HydrophobicContact CD2-CB 4.12Å; Y315-F357 HydrophobicContact CG-CB 3.66Å; Y345-F357 AromaticContact CE2-CD2 3.94Å; Y345-F357 HydrophobicContact CE2-CD2 3.94Å; Y345-F357 HydrophobicContact CE2-CE2 4.3Å; F357-L364 HydrophobicContact CD2-CD1 4.25Å; F357-L364 HydrophobicContact CE1-CD1 4.19Å; F357-L364 HydrophobicContact CE1-CD2 3.62Å; F357-L364 HydrophobicContact CE2-CD1 3.66Å; F357-L364 HydrophobicContact CE2-CD2 4.05Å; F357-L364 HydrophobicContact CZ-CD1 3.65Å; F357-L364 HydrophobicContact CZ-CD2 3.21Å; F357-L364 HydrophobicContact CZ-CG 4.09Å
358P93.7Very high93.7Very high22 Ų2278.6 Ų78.614%0.14344%0.438CS..  trans-71.8146.6-175.628.1-34.9000111.9L354 S356 V363 L364L354-P358 HydrophobicContact CD1-CB 4.25Å; L354-P358 HydrophobicContact CD1-CG 3.97Å; S356-P358 WeakPolarHBondContact O-CD 3.46Å; P358-V363 HydrophobicContact CB-CB 4.32Å; P358-V363 HydrophobicContact CB-CG1 4.02Å; P358-V363 HydrophobicContact CG-CG1 4.12Å; P358-L364 HydrophobicContact CG-CB 4.1Å; P358-L364 HydrophobicContact CG-CD1 3.78Å
359S91.7Very high94Very high130 Ų13076.3 Ų76.391%0.90942%0.423SS*.SBendtrans-77.2-23.5176.857.70000113.4
360D90.5Very high94.3Very high78 Ų7870.1 Ų70.142%0.41740%0.397SS..  trans-88.3120.6-180-172.4-3.4000110.8S362 V363 L364D360-S362 PolarHBondContact O-N 2.83Å; D360-S362 WeakPolarHBondContact OD1-CB 3.46Å; D360-S362 PolarHBondContact OD1-N 2.87Å; D360-S362 PolarHBondContact OD1-OG 3.49Å; D360-S362 PolarHBondContact OD2-OG 2.91Å; D360-V363 HydrophobicContact CB-CB 4.3Å; D360-V363 HydrophobicContact CB-CG2 3.95Å; D360-V363 PolarHBondContact O-N 3.03Å; D360-L364 WeakPolarHBondContact O-CB 3.38Å; D360-L364 PolarHBondContact O-N 3.26Å
361S88.4Confident94.5Very high28 Ų2869.7 Ų69.720%0.19639%0.387CS..Hα-helixtrans-62.5-28.4174.7-70.90000112.4Y233 L364 N365Y233-S361 PolarHBondContact O-OG 3.37Å; S361-L364 PolarHBondContact O-N 3.37Å; S361-N365 VanDerWaalsContact O-CG 3.3Å; S361-N365 PolarHBondContact O-N 3.38Å; S361-N365 PolarHBondContact O-ND2 3.42Å
362S88.9Confident94.7Very high60 Ų6070.2 Ų70.242%0.4237%0.374SS..Hα-helixtrans-64.6-47176.786.30000110.8D360 N365 H366D360-S362 PolarHBondContact O-N 2.83Å; D360-S362 WeakPolarHBondContact OD1-CB 3.46Å; D360-S362 PolarHBondContact OD1-N 2.87Å; D360-S362 PolarHBondContact OD1-OG 3.49Å; D360-S362 PolarHBondContact OD2-OG 2.91Å; S362-N365 PolarHBondContact O-N 3.22Å; S362-H366 PolarHBondContact O-ND1 3.32Å
363V92.4Very high94.8Very high50 Ų5064.7 Ų64.730%0.30336%0.361SS..Hα-helixtrans-61.2-49.2174.1177.30000109.8L354 P358 D360 N365 H366 V367L354-V363 HydrophobicContact CD1-CG1 4.2Å; P358-V363 HydrophobicContact CB-CB 4.32Å; P358-V363 HydrophobicContact CB-CG1 4.02Å; P358-V363 HydrophobicContact CG-CG1 4.12Å; D360-V363 HydrophobicContact CB-CB 4.3Å; D360-V363 HydrophobicContact CB-CG2 3.95Å; D360-V363 PolarHBondContact O-N 3.03Å; V363-N365 PolarHBondContact O-N 3.03Å; V363-H366 PolarHBondContact O-N 3.02Å; V363-V367 HydrophobicContact CG1-CG1 4.11Å; V363-V367 WeakPolarHBondContact O-CG1 3.37Å; V363-V367 PolarHBondContact O-N 3.17Å; V363-V367 VanDerWaalsContact O-N 3.08Å
364L93Very high94.8Very high3 Ų359.7 Ų59.72%0.01634%0.338CS..Hα-helixtrans-60.6-28.3-177.4-167.665.7000113.9T232 P275 P277 Y345 F357 P358 D360 S361 H366T232-L364 HydrophobicContact CG2-CD2 4.06Å; P275-L364 HydrophobicContact CB-CB 4.07Å; P275-L364 HydrophobicContact CB-CD2 3.48Å; P275-L364 VanDerWaalsContact CB-CD2 3.48Å; P275-L364 HydrophobicContact CB-CG 3.71Å; P275-L364 HydrophobicContact CG-CB 4.41Å; P275-L364 HydrophobicContact CG-CD2 3.33Å; P275-L364 HydrophobicContact CG-CG 4.11Å; P277-L364 HydrophobicContact CG-CD1 3.42Å; P277-L364 VanDerWaalsContact CG-CD1 3.42Å; P277-L364 HydrophobicContact CG-CG 3.78Å; Y345-L364 HydrophobicContact CE2-CD1 3.95Å; F357-L364 HydrophobicContact CD2-CD1 4.25Å; F357-L364 HydrophobicContact CE1-CD1 4.19Å; F357-L364 HydrophobicContact CE1-CD2 3.62Å; F357-L364 HydrophobicContact CE2-CD1 3.66Å; F357-L364 HydrophobicContact CE2-CD2 4.05Å; F357-L364 HydrophobicContact CZ-CD1 3.65Å; F357-L364 HydrophobicContact CZ-CD2 3.21Å; F357-L364 HydrophobicContact CZ-CG 4.09Å; P358-L364 HydrophobicContact CG-CB 4.1Å; P358-L364 HydrophobicContact CG-CD1 3.78Å; D360-L364 WeakPolarHBondContact O-CB 3.38Å; D360-L364 PolarHBondContact O-N 3.26Å; S361-L364 PolarHBondContact O-N 3.37Å; L364-H366 VanDerWaalsContact C-N 3.29Å; L364-H366 PolarHBondContact O-N 3.5Å
365N92.2Very high94.9Very high99 Ų9961.7 Ų61.753%0.52935%0.354SS..Hα-helixtrans-73.4-18.8175.5-78.8-40.5000113.6P275 S361 S362 V363P275-N365 WeakPolarHBondContact CB-OD1 3.17Å; S361-N365 VanDerWaalsContact O-CG 3.3Å; S361-N365 PolarHBondContact O-N 3.38Å; S361-N365 PolarHBondContact O-ND2 3.42Å; S362-N365 PolarHBondContact O-N 3.22Å; V363-N365 PolarHBondContact O-N 3.03Å
366H94.1Very high95.1Very high129 Ų12954.1 Ų54.160%0.59732%0.317SS*.Hα-helixtrans-117.3-5.2-172.8-58.998.2000113.8P348 S362 V363 L364 V368P348-H366 HydrophobicContact CG-CB 4.24Å; P348-H366 WeakPolarHBondContact CG-O 3.39Å; S362-H366 PolarHBondContact O-ND1 3.32Å; V363-H366 PolarHBondContact O-N 3.02Å; L364-H366 VanDerWaalsContact C-N 3.29Å; L364-H366 PolarHBondContact O-N 3.5Å; H366-V368 PolarHBondContact O-N 3.42Å
367V97Very high95.2Very high16 Ų1653 Ų5310%0.09731%0.306CS..PPolyproline II helixtrans-55.7138.9177.3-65.70000111.3P277 Y345 L354 V363 V369P277-V367 HydrophobicContact CB-CG2 3.82Å; P277-V367 HydrophobicContact CG-CG2 4.01Å; Y345-V367 HydrophobicContact CD1-CG2 4.09Å; Y345-V367 HydrophobicContact CD2-CG2 4.25Å; Y345-V367 HydrophobicContact CE1-CG2 4.45Å; Y345-V367 HydrophobicContact CG-CB 4.22Å; Y345-V367 HydrophobicContact CG-CG1 4.44Å; Y345-V367 HydrophobicContact CG-CG2 3.99Å; L354-V367 HydrophobicContact CD1-CG1 3.69Å; V363-V367 HydrophobicContact CG1-CG1 4.11Å; V363-V367 WeakPolarHBondContact O-CG1 3.37Å; V363-V367 PolarHBondContact O-N 3.17Å; V363-V367 VanDerWaalsContact O-N 3.08Å; V367-V369 HydrophobicContact CG2-CG2 4.49Å
368V97.7Very high95.3Very high81 Ų8157.7 Ų57.749%0.49133%0.327SS..EExtended strand (participates in β ladder)trans-86.1117.3169178.80000108I346 P348 H366I346-V368 HydrophobicContact CB-CB 4.27Å; I346-V368 PolarHBondContact N-O 3.17Å; I346-V368 PolarHBondContact O-N 3.04Å; P348-V368 HydrophobicContact CB-CG2 4.34Å; H366-V368 PolarHBondContact O-N 3.42Å
369V98.3Very high95.5Very high23 Ų2360.3 Ų60.314%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-82125.5-179.7-173.30000110.4P277 A342 Y345 V367 Y371P277-V369 HydrophobicContact CB-CG2 3.65Å; P277-V369 WeakPolarHBondContact O-CG2 3.43Å; A342-V369 HydrophobicContact CB-CG1 3.36Å; Y345-V369 HydrophobicContact CD1-CB 4.49Å; Y345-V369 HydrophobicContact CD1-CG1 4.33Å; Y345-V369 HydrophobicContact CD1-CG2 4.02Å; Y345-V369 HydrophobicContact CE1-CG1 4.2Å; Y345-V369 HydrophobicContact CE1-CG2 3.9Å; V367-V369 HydrophobicContact CG2-CG2 4.49Å; V369-Y371 HydrophobicContact CB-CD2 4.48Å; V369-Y371 HydrophobicContact CB-CE2 3.69Å; V369-Y371 HydrophobicContact CG1-CD1 4.3Å; V369-Y371 HydrophobicContact CG1-CD2 4.2Å; V369-Y371 HydrophobicContact CG1-CE1 3.74Å; V369-Y371 HydrophobicContact CG1-CE2 3.62Å; V369-Y371 WeakPolarHBondContact O-CD2 3.29Å
370V98.5Very high95.8Very high49 Ų4957.5 Ų57.530%0.29732%0.323SS..EExtended strand (participates in β ladder)trans-94.9127.7173.4-177.40000108.6K343 A344 I346K343-V370 HydrophobicContact CG-CB 4.49Å; K343-V370 HydrophobicContact CG-CG1 4.2Å; K343-V370 WeakPolarHBondContact CG-O 3.44Å; K343-V370 PolarHBondContact N-O 3.01Å; A344-V370 HydrophobicContact CB-CB 4.16Å; A344-V370 HydrophobicContact CB-CG2 4.5Å; A344-V370 PolarHBondContact N-O 3.14Å; A344-V370 PolarHBondContact O-N 3.04Å; I346-V370 HydrophobicContact CD1-CG2 4.14Å; I346-V370 HydrophobicContact CG1-CG2 3.58Å
371Y98.7Very high96.1Very high69 Ų6953.8 Ų53.827%0.27130%0.303SS..EExtended strand (participates in β ladder)trans-107.2144.3-177.5-65.2-83.4000112.2S278 W307 K340 I341 A342 V369S278-Y371 WeakPolarHBondContact CA-OH 3.22Å; W307-Y371 HydrophobicContact CB-CD1 4.49Å; W307-Y371 HydrophobicContact CB-CE1 3.91Å; W307-Y371 AromaticContact CD1-CE1 3.64Å; W307-Y371 HydrophobicContact CG-CE1 4.07Å; K340-Y371 HydrophobicContact CB-CD1 3.77Å; K340-Y371 HydrophobicContact CB-CG 4.22Å; K340-Y371 HydrophobicContact CD-CG 4.43Å; I341-Y371 CarbonylContact O-C 3.58Å; I341-Y371 VanDerWaalsContact O-CA 3.29Å; I341-Y371 WeakPolarHBondContact O-CA 3.2Å; A342-Y371 HydrophobicContact CB-CD1 4.05Å; A342-Y371 HydrophobicContact CB-CE1 3.73Å; V369-Y371 HydrophobicContact CB-CD2 4.48Å; V369-Y371 HydrophobicContact CB-CE2 3.69Å; V369-Y371 HydrophobicContact CG1-CD1 4.3Å; V369-Y371 HydrophobicContact CG1-CD2 4.2Å; V369-Y371 HydrophobicContact CG1-CE1 3.74Å; V369-Y371 HydrophobicContact CG1-CE2 3.62Å; V369-Y371 WeakPolarHBondContact O-CD2 3.29Å
372E98.4Very high96.3Very high66 Ų6658.3 Ų58.331%0.30832%0.321SS..EExtended strand (participates in β ladder)trans-89.3121.4153.7-166.568.9-165.900107.8K340 I341 K343 L374 T400K340-E372 CarbonylContact C-O 3.49Å; K340-E372 WeakPolarHBondContact CA-O 3.46Å; I341-E372 HydrophobicContact CB-CB 4.4Å; I341-E372 PolarHBondContact N-O 2.81Å; I341-E372 PolarHBondContact O-N 2.81Å; K343-E372 HydrophobicContact CD-CB 4.23Å; K343-E372 IonicContact NZ-OE2 3.17Å; K343-E372 PolarHBondContact NZ-OE2 2.64Å; E372-L374 HydrophobicContact CG-CD2 4.13Å; E372-L374 HydrophobicContact CG-CG 4.47Å; E372-T400 HydrophobicContact CG-CG2 4.16Å
373T98.6Very high96.4Very high71 Ų7157 Ų5744%0.43632%0.317SS..EExtended strand (participates in β ladder)trans-100.5126.9177.3-55.80000109.3E338 K340E338-T373 HydrophobicContact CB-CG2 4.17Å; K340-T373 HydrophobicContact CG-CG2 4.23Å
374L98.6Very high96.6Very high15 Ų1555.2 Ų55.28%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-121.5152.1-179.7-57.9176.4000110E338 V339 I341 E372 G376 V396 F397 T400E338-L374 WeakPolarHBondContact CA-O 3.12Å; V339-L374 HydrophobicContact CG2-CB 3.9Å; V339-L374 PolarHBondContact N-O 3.13Å; V339-L374 PolarHBondContact O-N 3.49Å; I341-L374 HydrophobicContact CD1-CD1 3.85Å; E372-L374 HydrophobicContact CG-CD2 4.13Å; E372-L374 HydrophobicContact CG-CG 4.47Å; L374-G376 PolarHBondContact O-N 2.87Å; L374-V396 HydrophobicContact CD2-CG1 4.36Å; L374-F397 HydrophobicContact CD1-CB 4.31Å; L374-F397 HydrophobicContact CD1-CD2 4.08Å; L374-T400 HydrophobicContact CD1-CG2 4.01Å; L374-T400 HydrophobicContact CD2-CG2 4.47Å
375P98.2Very high96.6Very high80 Ų8060.2 Ų60.252%0.51933%0.325SS..EExtended strand (participates in β ladder)trans-61.7133.7172.327-34.2000110.2A393P375-A393 HydrophobicContact CG-CB 4.3Å
376G98Very high96.8Very high14 Ų1458.7 Ų58.714%0.14432%0.32CS..  trans-71.4162165.100000110.3L336 E337 L374L336-G376 WeakPolarHBondContact O-CA 3.28Å; E337-G376 WeakPolarHBondContact O-CA 3.23Å; E337-G376 PolarHBondContact O-N 3.34Å; L374-G376 PolarHBondContact O-N 2.87Å
377W98.1Very high97Very high14 Ų1454 Ų545%0.05330%0.297CS..  trans-105.4-12.2-169.35192.3000115.3I330 L333 D334 V339 T379 P391 A393 A394 F397I330-W377 HydrophobicContact CD1-CH2 4.27Å; I330-W377 HydrophobicContact CD1-CZ2 4.45Å; I330-W377 HydrophobicContact CG1-CH2 3.72Å; I330-W377 HydrophobicContact CG1-CZ2 3.75Å; I330-W377 WeakPolarHBondContact O-CZ2 3.4Å; L333-W377 HydrophobicContact CB-CH2 3.54Å; L333-W377 HydrophobicContact CB-CZ2 3.63Å; L333-W377 HydrophobicContact CD1-CH2 4.13Å; L333-W377 HydrophobicContact CG-CH2 4.43Å; D334-W377 VanDerWaalsContact CA-NE1 3.35Å; D334-W377 PolarHBondContact OD1-NE1 2.96Å; V339-W377 HydrophobicContact CG1-CZ3 4.13Å; V339-W377 HydrophobicContact CG2-CZ3 4.24Å; W377-T379 WeakPolarHBondContact O-CB 3.22Å; W377-T379 PolarHBondContact O-N 2.86Å; W377-T379 PolarHBondContact O-OG1 3.23Å; W377-P391 HydrophobicContact CB-CB 3.9Å; W377-P391 HydrophobicContact CB-CG 4.47Å; W377-P391 HydrophobicContact CG-CB 4.37Å; W377-A393 HydrophobicContact CB-CB 3.75Å; W377-A394 HydrophobicContact CD2-CB 3.71Å; W377-A394 HydrophobicContact CE3-CB 3.95Å; W377-A394 HydrophobicContact CG-CB 4Å; W377-A394 HydrophobicContact CZ2-CB 4.45Å; W377-A394 HydrophobicContact CZ3-CB 4.4Å; W377-F397 HydrophobicContact CZ3-CB 4.12Å; W377-F397 HydrophobicContact CZ3-CG 4.3Å
378K97.1Very high97Very high115 Ų11559.7 Ų59.750%0.532%0.322SS..  trans45.128.8174.8-66.8-169.1176.8178.90115.7D334 E337D334-K378 CarbonylContact O-C 3.55Å; D334-K378 WeakPolarHBondContact O-CA 3.32Å; D334-K378 PolarHBondContact O-N 2.85Å; E337-K378 WeakPolarHBondContact OE1-CE 3.4Å; E337-K378 IonicContact OE1-NZ 2.7Å; E337-K378 PolarHBondContact OE1-NZ 2.9Å; E337-K378 WeakPolarHBondContact OE2-CE 3.41Å; E337-K378 IonicContact OE2-NZ 2.7Å; E337-K378 PolarHBondContact OE2-NZ 3.38Å
379T97.1Very high97Very high76 Ų7660.7 Ų60.747%0.46632%0.322SS..SBendtrans-142.9134.7-170.9-56.60000106.6D334 W377 T381 P391D334-T379 PolarHBondContact O-N 3.44Å; W377-T379 WeakPolarHBondContact O-CB 3.22Å; W377-T379 PolarHBondContact O-N 2.86Å; W377-T379 PolarHBondContact O-OG1 3.23Å; T379-T381 PolarHBondContact O-N 3.47Å; T379-P391 HydrophobicContact CG2-CG 3.9Å
380S97.2Very high96.9Very high72 Ų7259.8 Ų59.850%0.50332%0.316SS..  trans-67.2133.6-177.3-165.80000111.6D334 H382D334-S380 WeakPolarHBondContact OD2-CA 3.21Å; D334-S380 PolarHBondContact OD2-OG 3.41Å; S380-H382 WeakPolarHBondContact OG-CB 3.32Å; S380-H382 PolarHBondContact OG-N 3.2Å; S380-H382 VanDerWaalsContact OG-N 3.16Å
381T97.2Very high96.9Very high0 Ų058.6 Ų58.60%031%0.309CS..  trans-90.4-9.1166.856.10000111.6D331 D334 T379 G383 C384 L390 P391 A394 T414D331-T381 VanDerWaalsContact CA-OG1 3.24Å; D331-T381 WeakPolarHBondContact CA-OG1 3.31Å; D334-T381 VanDerWaalsContact CG-N 3.31Å; D334-T381 WeakPolarHBondContact OD1-CB 3.28Å; D334-T381 VanDerWaalsContact OD1-CG2 3.27Å; D334-T381 WeakPolarHBondContact OD1-CG2 3.2Å; D334-T381 PolarHBondContact OD1-N 2.85Å; D334-T381 PolarHBondContact OD1-OG1 3.1Å; D334-T381 PolarHBondContact OD2-N 2.94Å; D334-T381 PolarHBondContact OD2-OG1 3.28Å; T379-T381 PolarHBondContact O-N 3.47Å; T381-G383 PolarHBondContact O-N 3.25Å; T381-C384 WeakPolarHBondContact O-CB 3.49Å; T381-C384 PolarHBondContact O-N 3.08Å; T381-C384 VanDerWaalsContact O-N 3.11Å; T381-C384 PolarHBondContact O-SG 2.91Å; T381-L390 HydrophobicContact CG2-CD2 3.8Å; T381-P391 HydrophobicContact CG2-CG 4.28Å; T381-A394 HydrophobicContact CG2-CB 4.21Å; T381-T414 WeakPolarHBondContact O-CB 3.39Å
382H93.7Very high96.9Very high122 Ų12260.6 Ų60.657%0.56533%0.329SS*.THydrogen-bonded Turntrans-60.1129.2178.1-173.8-84.5000110.8S380 T414S380-H382 WeakPolarHBondContact OG-CB 3.32Å; S380-H382 PolarHBondContact OG-N 3.2Å; S380-H382 VanDerWaalsContact OG-N 3.16Å; H382-T414 WeakPolarHBondContact CA-O 3.43Å
383G90.5Very high96.9Very high34 Ų3458.3 Ų58.335%0.35132%0.321SS..THydrogen-bonded Turntrans92.9-14.6-178.600000114.2T381 R385T381-G383 PolarHBondContact O-N 3.25Å; G383-R385 VanDerWaalsContact CA-NH1 3.29Å; G383-R385 PolarHBondContact O-N 2.91Å; G383-R385 PolarHBondContact O-NH1 3.09Å; G383-R385 VanDerWaalsContact O-NH1 3.13Å
384C95.8Very high96.9Very high12 Ų1255 Ų558%0.08130%0.301CS..  trans-60.7131.4171.3-60.50000110.1T381 E389 L390 T414 I422T381-C384 WeakPolarHBondContact O-CB 3.49Å; T381-C384 PolarHBondContact O-N 3.08Å; T381-C384 VanDerWaalsContact O-N 3.11Å; T381-C384 PolarHBondContact O-SG 2.91Å; C384-E389 VanDerWaalsContact CA-OE2 3.28Å; C384-E389 WeakPolarHBondContact CA-OE2 3.35Å; C384-E389 HydrophobicContact CB-CB 4Å; C384-E389 PolarHBondContact SG-O 3.41Å; C384-L390 HydrophobicContact CB-CD2 4.05Å; C384-T414 HydrophobicContact CB-CG2 4.29Å; C384-T414 PolarHBondContact O-OG1 3.24Å; C384-T414 VanDerWaalsContact O-OG1 3.12Å; C384-I422 HydrophobicContact CB-CD1 4.01Å
385R94Very high96.9Very high107 Ų10756.3 Ų56.340%0.40431%0.306SS..  trans-118.7-25.4-179.1-62.7-61.3177.3-100.77.1112.7G383 E389 D419G383-R385 VanDerWaalsContact CA-NH1 3.29Å; G383-R385 PolarHBondContact O-N 2.91Å; G383-R385 PolarHBondContact O-NH1 3.09Å; G383-R385 VanDerWaalsContact O-NH1 3.13Å; R385-E389 PolarHBondContact N-OE2 3.18Å; R385-D419 VanDerWaalsContact CD-O 3.32Å; R385-D419 WeakPolarHBondContact CD-O 3.47Å; R385-D419 PolarHBondContact NE-O 3.46Å; R385-D419 VanDerWaalsContact NE-O 3.17Å
386V96.2Very high96.9Very high68 Ų6854.9 Ų54.941%0.41230%0.296SS..SBendtrans-119.7155.1173.2-59.10000110.9E388 E389V386-E388 HydrophobicContact CG2-CB 4.38Å; V386-E388 PolarHBondContact O-N 3.05Å; V386-E389 HydrophobicContact CG2-CB 4.35Å; V386-E389 HydrophobicContact CG2-CG 3.61Å; V386-E389 PolarHBondContact N-OE2 3.39Å; V386-E389 PolarHBondContact O-N 3.37Å
387Y97.4Very high96.9Very high31 Ų3154.3 Ų54.312%0.12229%0.289CS..G310 helixtrans-61.5-33.7-174.2-176.8-109000111.7E389 L390 K395 V398 E399 I412 R424Y387-E389 PolarHBondContact O-N 3.02Å; Y387-L390 HydrophobicContact CD2-CD1 3.78Å; Y387-L390 HydrophobicContact CE2-CD1 4.02Å; Y387-L390 WeakPolarHBondContact O-CB 3.48Å; Y387-L390 PolarHBondContact O-N 3.18Å; Y387-L390 VanDerWaalsContact O-N 3.13Å; Y387-K395 HydrophobicContact CE1-CD 4.23Å; Y387-K395 HydrophobicContact CE1-CG 4.13Å; Y387-K395 HydrophobicContact CE2-CG 4.24Å; Y387-K395 WeakPolarHBondContact O-CE 3.47Å; Y387-V398 HydrophobicContact CE2-CG1 4.23Å; Y387-E399 PolarHBondContact OH-OE1 3.21Å; Y387-I412 HydrophobicContact CD2-CD1 3.77Å; Y387-I412 HydrophobicContact CE2-CD1 3.92Å; Y387-R424 HydrophobicContact CD2-CG 4.38Å; Y387-R424 HydrophobicContact CG-CG 4.48Å
388E97.3Very high97Very high134 Ų13453.6 Ų53.663%0.62629%0.287SS*.G310 helixtrans-64.1-26.7-178.7-65.267-145.900112.5V386 L390 K395V386-E388 HydrophobicContact CG2-CB 4.38Å; V386-E388 PolarHBondContact O-N 3.05Å; E388-L390 VanDerWaalsContact C-N 3.29Å; E388-L390 PolarHBondContact O-N 3.35Å; E388-K395 PolarHBondContact O-NZ 3.48Å
389E97.3Very high97Very high103 Ų10352.8 Ų52.848%0.48128%0.284SS..G310 helixtrans-75.5-16.8177.9-70.5169.1168.800113C384 R385 V386 Y387C384-E389 VanDerWaalsContact CA-OE2 3.28Å; C384-E389 WeakPolarHBondContact CA-OE2 3.35Å; C384-E389 HydrophobicContact CB-CB 4Å; C384-E389 PolarHBondContact SG-O 3.41Å; R385-E389 PolarHBondContact N-OE2 3.18Å; V386-E389 HydrophobicContact CG2-CB 4.35Å; V386-E389 HydrophobicContact CG2-CG 3.61Å; V386-E389 PolarHBondContact N-OE2 3.39Å; V386-E389 PolarHBondContact O-N 3.37Å; Y387-E389 PolarHBondContact O-N 3.02Å
390L98.2Very high97.1Very high4 Ų450.3 Ų50.32%0.02127%0.27CS..SBendtrans-66.2141178.6-68.2173.7000111.1T381 C384 Y387 E388 K395 I412 T414 I422T381-L390 HydrophobicContact CG2-CD2 3.8Å; C384-L390 HydrophobicContact CB-CD2 4.05Å; Y387-L390 HydrophobicContact CD2-CD1 3.78Å; Y387-L390 HydrophobicContact CE2-CD1 4.02Å; Y387-L390 WeakPolarHBondContact O-CB 3.48Å; Y387-L390 PolarHBondContact O-N 3.18Å; Y387-L390 VanDerWaalsContact O-N 3.13Å; E388-L390 VanDerWaalsContact C-N 3.29Å; E388-L390 PolarHBondContact O-N 3.35Å; L390-K395 HydrophobicContact CB-CG 3.85Å; L390-K395 WeakPolarHBondContact O-CE 3.49Å; L390-K395 PolarHBondContact O-NZ 2.89Å; L390-I412 HydrophobicContact CD1-CD1 4.09Å; L390-T414 HydrophobicContact CD2-CG2 4.12Å; L390-I422 HydrophobicContact CD1-CD1 3.77Å; L390-I422 HydrophobicContact CD2-CD1 3.76Å; L390-I422 HydrophobicContact CG-CD1 3.66Å
391P98Very high97.2Very high24 Ų2446.9 Ų46.916%0.15625%0.246CC..  trans-54.1145.1169.4-24.634.3000111.5W377 T379 T381 A393 A394 K395W377-P391 HydrophobicContact CB-CB 3.9Å; W377-P391 HydrophobicContact CB-CG 4.47Å; W377-P391 HydrophobicContact CG-CB 4.37Å; T379-P391 HydrophobicContact CG2-CG 3.9Å; T381-P391 HydrophobicContact CG2-CG 4.28Å; P391-A393 VanDerWaalsContact C-N 3.29Å; P391-A393 PolarHBondContact O-N 3.5Å; P391-A394 HydrophobicContact CB-CB 4.34Å; P391-A394 WeakPolarHBondContact O-CA 3.24Å; P391-A394 WeakPolarHBondContact O-CB 3.11Å; P391-A394 PolarHBondContact O-N 3.37Å; P391-K395 PolarHBondContact O-N 3.36Å
392T98.2Very high97.3Very high110 Ų11048.4 Ų48.468%0.67525%0.253SS*.Hα-helixtrans-54.4-43.2-177.5-540000112.7A394 K395 V396T392-A394 VanDerWaalsContact C-N 3.33Å; T392-A394 PolarHBondContact O-N 3.04Å; T392-K395 WeakPolarHBondContact O-CB 3.28Å; T392-K395 PolarHBondContact O-N 2.97Å; T392-V396 WeakPolarHBondContact O-CG2 3.24Å; T392-V396 PolarHBondContact O-N 3.39Å
393A98.4Very high97.5Very high19 Ų1951.1 Ų51.116%0.15726%0.263CS..Hα-helixtrans-66.9-31.617800000113.2P375 W377 P391 V396 F397P375-A393 HydrophobicContact CG-CB 4.3Å; W377-A393 HydrophobicContact CB-CB 3.75Å; P391-A393 VanDerWaalsContact C-N 3.29Å; P391-A393 PolarHBondContact O-N 3.5Å; A393-V396 PolarHBondContact O-N 2.96Å; A393-F397 PolarHBondContact O-N 2.67Å
394A98.4Very high97.9Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-69.1-3817200000111.8I330 W377 T381 P391 T392 F397 V398I330-A394 HydrophobicContact CD1-CB 4.42Å; W377-A394 HydrophobicContact CD2-CB 3.71Å; W377-A394 HydrophobicContact CE3-CB 3.95Å; W377-A394 HydrophobicContact CG-CB 4Å; W377-A394 HydrophobicContact CZ2-CB 4.45Å; W377-A394 HydrophobicContact CZ3-CB 4.4Å; T381-A394 HydrophobicContact CG2-CB 4.21Å; P391-A394 HydrophobicContact CB-CB 4.34Å; P391-A394 WeakPolarHBondContact O-CA 3.24Å; P391-A394 WeakPolarHBondContact O-CB 3.11Å; P391-A394 PolarHBondContact O-N 3.37Å; T392-A394 VanDerWaalsContact C-N 3.33Å; T392-A394 PolarHBondContact O-N 3.04Å; A394-F397 WeakPolarHBondContact O-CB 3.45Å; A394-F397 PolarHBondContact O-N 3.47Å; A394-V398 WeakPolarHBondContact O-CG2 3.37Å; A394-V398 PolarHBondContact O-N 3.36Å; A394-V398 VanDerWaalsContact O-N 3.09Å
395K98.5Very high98Very high43 Ų4351.6 Ų51.619%0.18726%0.256CS..Hα-helixtrans-61.8-46.1172.5-67.3173.5177148.20111.4Y387 E388 L390 P391 T392 F397 V398 E399Y387-K395 HydrophobicContact CE1-CD 4.23Å; Y387-K395 HydrophobicContact CE1-CG 4.13Å; Y387-K395 HydrophobicContact CE2-CG 4.24Å; Y387-K395 WeakPolarHBondContact O-CE 3.47Å; E388-K395 PolarHBondContact O-NZ 3.48Å; L390-K395 HydrophobicContact CB-CG 3.85Å; L390-K395 WeakPolarHBondContact O-CE 3.49Å; L390-K395 PolarHBondContact O-NZ 2.89Å; P391-K395 PolarHBondContact O-N 3.36Å; T392-K395 WeakPolarHBondContact O-CB 3.28Å; T392-K395 PolarHBondContact O-N 2.97Å; K395-F397 VanDerWaalsContact C-N 3.27Å; K395-F397 PolarHBondContact O-N 2.86Å; K395-V398 WeakPolarHBondContact O-CB 3.14Å; K395-V398 PolarHBondContact O-N 3.32Å; K395-V398 VanDerWaalsContact O-N 3.1Å; K395-E399 WeakPolarHBondContact O-CG 3.35Å; K395-E399 PolarHBondContact O-N 3.28Å
396V98.5Very high98.2Very high51 Ų5153.7 Ų53.731%0.30928%0.275SS..Hα-helixtrans-57.8-40.1175.5170.70000111.3L374 T392 A393 T400L374-V396 HydrophobicContact CD2-CG1 4.36Å; T392-V396 WeakPolarHBondContact O-CG2 3.24Å; T392-V396 PolarHBondContact O-N 3.39Å; A393-V396 PolarHBondContact O-N 2.96Å; V396-T400 VanDerWaalsContact O-CB 3.25Å; V396-T400 WeakPolarHBondContact O-CB 3.27Å; V396-T400 PolarHBondContact O-N 2.91Å; V396-T400 PolarHBondContact O-OG1 3.03Å
397F98.8Very high98.3Very high1 Ų150.6 Ų50.60%0.00426%0.257CS..Hα-helixtrans-59.2-52.3173177.4-92.8000111.6A266 L308 L327 I330 L333 V339 I341 L374 W377 A393 A394 K395 E399 T400 V401A266-F397 HydrophobicContact CB-CE1 4.15Å; A266-F397 HydrophobicContact CB-CZ 4.35Å; L308-F397 HydrophobicContact CB-CZ 4.48Å; L308-F397 HydrophobicContact CD2-CE1 4.41Å; L308-F397 HydrophobicContact CD2-CE2 4.47Å; L308-F397 HydrophobicContact CD2-CZ 3.77Å; L327-F397 HydrophobicContact CD1-CE1 4.44Å; L327-F397 HydrophobicContact CD2-CD1 4.39Å; L327-F397 HydrophobicContact CD2-CE1 4.09Å; I330-F397 HydrophobicContact CD1-CD1 4.13Å; L333-F397 HydrophobicContact CD1-CZ 4.38Å; V339-F397 HydrophobicContact CB-CD2 4.44Å; V339-F397 HydrophobicContact CG2-CD2 3.62Å; V339-F397 HydrophobicContact CG2-CE2 4.14Å; I341-F397 HydrophobicContact CD1-CD2 3.96Å; I341-F397 HydrophobicContact CD1-CE2 3.82Å; I341-F397 HydrophobicContact CG1-CD2 4.25Å; I341-F397 HydrophobicContact CG1-CE2 3.7Å; I341-F397 HydrophobicContact CG1-CZ 4.49Å; L374-F397 HydrophobicContact CD1-CB 4.31Å; L374-F397 HydrophobicContact CD1-CD2 4.08Å; W377-F397 HydrophobicContact CZ3-CB 4.12Å; W377-F397 HydrophobicContact CZ3-CG 4.3Å; A393-F397 PolarHBondContact O-N 2.67Å; A394-F397 WeakPolarHBondContact O-CB 3.45Å; A394-F397 PolarHBondContact O-N 3.47Å; K395-F397 VanDerWaalsContact C-N 3.27Å; K395-F397 PolarHBondContact O-N 2.86Å; F397-E399 PolarHBondContact O-N 2.94Å; F397-T400 PolarHBondContact O-N 3.37Å; F397-V401 HydrophobicContact CD1-CG2 4.39Å; F397-V401 HydrophobicContact CE1-CG2 4.07Å; F397-V401 HydrophobicContact CZ-CG2 4.13Å; F397-V401 WeakPolarHBondContact O-CG2 3.31Å; F397-V401 PolarHBondContact O-N 3.44Å
398V98.6Very high98.3Very high0 Ų051.1 Ų51.10%026%0.263CS..Hα-helixtrans-57.2-50178.9174.50000111.1L327 I330 Y387 A394 K395 T400 V401 E402 I409 I412L327-V398 HydrophobicContact CD2-CG2 3.9Å; I330-V398 HydrophobicContact CD1-CG2 3.93Å; Y387-V398 HydrophobicContact CE2-CG1 4.23Å; A394-V398 WeakPolarHBondContact O-CG2 3.37Å; A394-V398 PolarHBondContact O-N 3.36Å; A394-V398 VanDerWaalsContact O-N 3.09Å; K395-V398 WeakPolarHBondContact O-CB 3.14Å; K395-V398 PolarHBondContact O-N 3.32Å; K395-V398 VanDerWaalsContact O-N 3.1Å; V398-T400 VanDerWaalsContact C-N 3.32Å; V398-T400 PolarHBondContact O-N 2.64Å; V398-V401 PolarHBondContact O-N 2.8Å; V398-E402 WeakPolarHBondContact O-CG 3.46Å; V398-E402 PolarHBondContact O-N 3.37Å; V398-I409 HydrophobicContact CG1-CB 4.25Å; V398-I409 HydrophobicContact CG1-CD1 3.95Å; V398-I409 HydrophobicContact CG1-CG2 4.33Å; V398-I412 HydrophobicContact CG1-CD1 4Å; V398-I412 HydrophobicContact CG2-CD1 4.07Å
399E98.4Very high98.4Very high97 Ų9744.7 Ų44.745%0.45323%0.234SC..Hα-helixtrans-63.1-37.3-179.9-69.1168.2175.900112.1Y387 K395 F397 E402 K403Y387-E399 PolarHBondContact OH-OE1 3.21Å; K395-E399 WeakPolarHBondContact O-CG 3.35Å; K395-E399 PolarHBondContact O-N 3.28Å; F397-E399 PolarHBondContact O-N 2.94Å; E399-E402 PolarHBondContact O-N 3.43Å; E399-K403 VanDerWaalsContact O-CB 3.31Å; E399-K403 WeakPolarHBondContact O-CB 3.25Å; E399-K403 PolarHBondContact O-N 3.36Å
400T98.8Very high98.4Very high25 Ų2542.9 Ų42.915%0.15322%0.222CC..Hα-helixtrans-65.7-41.2175.7-59.10000110.9I341 E372 L374 V396 F397 V398 K403 L404I341-T400 HydrophobicContact CD1-CG2 3.96Å; E372-T400 HydrophobicContact CG-CG2 4.16Å; L374-T400 HydrophobicContact CD1-CG2 4.01Å; L374-T400 HydrophobicContact CD2-CG2 4.47Å; V396-T400 VanDerWaalsContact O-CB 3.25Å; V396-T400 WeakPolarHBondContact O-CB 3.27Å; V396-T400 PolarHBondContact O-N 2.91Å; V396-T400 PolarHBondContact O-OG1 3.03Å; F397-T400 PolarHBondContact O-N 3.37Å; V398-T400 VanDerWaalsContact C-N 3.32Å; V398-T400 PolarHBondContact O-N 2.64Å; T400-K403 PolarHBondContact O-N 3.2Å; T400-L404 HydrophobicContact CG2-CD1 3.92Å; T400-L404 HydrophobicContact CG2-CG 4.3Å; T400-L404 WeakPolarHBondContact O-CB 3.5Å; T400-L404 VanDerWaalsContact O-CG 3.26Å; T400-L404 WeakPolarHBondContact O-CG 3.42Å; T400-L404 PolarHBondContact O-N 3.36Å
401V98.7Very high98.4Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-64-45.9174.9178.40000110.9I264 L308 I341 F397 V398 K403 L404 L405 I409I264-V401 HydrophobicContact CD1-CG1 4.24Å; L308-V401 HydrophobicContact CD2-CB 4.35Å; L308-V401 HydrophobicContact CD2-CG1 4.01Å; L308-V401 HydrophobicContact CD2-CG2 3.31Å; I341-V401 HydrophobicContact CD1-CG2 3.69Å; F397-V401 HydrophobicContact CD1-CG2 4.39Å; F397-V401 HydrophobicContact CE1-CG2 4.07Å; F397-V401 HydrophobicContact CZ-CG2 4.13Å; F397-V401 WeakPolarHBondContact O-CG2 3.31Å; F397-V401 PolarHBondContact O-N 3.44Å; V398-V401 PolarHBondContact O-N 2.8Å; V401-K403 VanDerWaalsContact C-N 3.3Å; V401-K403 PolarHBondContact O-N 3.06Å; V401-L404 PolarHBondContact O-N 2.92Å; V401-L405 HydrophobicContact CG1-CD1 3.64Å; V401-L405 HydrophobicContact CG1-CG 4.33Å; V401-L405 WeakPolarHBondContact O-CB 3.42Å; V401-L405 WeakPolarHBondContact O-CG 3.46Å; V401-L405 PolarHBondContact O-N 2.91Å; V401-I409 HydrophobicContact CB-CD1 3.93Å; V401-I409 HydrophobicContact CG1-CD1 3.78Å
402E98.6Very high98.5Very high32 Ų3241.8 Ų41.815%0.1522%0.215CC..Hα-helixtrans-57-44.6175.4-71-173.3126.300111.4V398 E399 L405 N406 P408 I409 R424V398-E402 WeakPolarHBondContact O-CG 3.46Å; V398-E402 PolarHBondContact O-N 3.37Å; E399-E402 PolarHBondContact O-N 3.43Å; E402-L405 PolarHBondContact O-N 3.4Å; E402-N406 VanDerWaalsContact O-CA 3.25Å; E402-N406 WeakPolarHBondContact O-CA 3.44Å; E402-N406 PolarHBondContact O-N 2.97Å; E402-P408 WeakPolarHBondContact OE1-CA 3.42Å; E402-I409 HydrophobicContact CG-CB 3.99Å; E402-I409 HydrophobicContact CG-CD1 3.83Å; E402-I409 HydrophobicContact CG-CG1 3.71Å; E402-I409 PolarHBondContact OE1-N 3.31Å; E402-R424 IonicContact OE1-CZ 3.59Å; E402-R424 IonicContact OE1-NH1 2.72Å; E402-R424 PolarHBondContact OE1-NH1 3.46Å; E402-R424 IonicContact OE1-NH2 3.59Å; E402-R424 IonicContact OE2-CZ 3.58Å; E402-R424 IonicContact OE2-NH1 3.11Å; E402-R424 PolarHBondContact OE2-NH1 3.09Å; E402-R424 VanDerWaalsContact OE2-NH1 3.11Å; E402-R424 IonicContact OE2-NH2 3.06Å; E402-R424 PolarHBondContact OE2-NH2 3.01Å
403K98.5Very high98.4Very high179 Ų17936.7 Ų36.778%0.77818%0.184SC*.Hα-helixtrans-64.6-44.3178.2-178.1-177.5176.3-175.20112.7E399 T400 V401 L405E399-K403 VanDerWaalsContact O-CB 3.31Å; E399-K403 WeakPolarHBondContact O-CB 3.25Å; E399-K403 PolarHBondContact O-N 3.36Å; T400-K403 PolarHBondContact O-N 3.2Å; V401-K403 VanDerWaalsContact C-N 3.3Å; V401-K403 PolarHBondContact O-N 3.06Å; K403-L405 VanDerWaalsContact C-N 3.29Å; K403-L405 PolarHBondContact O-N 3.37Å
404L98.4Very high98.3Very high47 Ų4735.8 Ų35.825%0.24618%0.177CC..Hα-helixtrans-69.4-27.8-178.7-74.3173000113T310 I341 K343 T400 V401T310-L404 HydrophobicContact CG2-CB 4.17Å; T310-L404 HydrophobicContact CG2-CD1 4.21Å; I341-L404 HydrophobicContact CB-CD1 4.41Å; I341-L404 HydrophobicContact CD1-CD1 4.41Å; I341-L404 HydrophobicContact CG2-CD1 3.78Å; K343-L404 HydrophobicContact CB-CD1 4.33Å; K343-L404 HydrophobicContact CB-CD2 4.19Å; T400-L404 HydrophobicContact CG2-CD1 3.92Å; T400-L404 HydrophobicContact CG2-CG 4.3Å; T400-L404 WeakPolarHBondContact O-CB 3.5Å; T400-L404 VanDerWaalsContact O-CG 3.26Å; T400-L404 WeakPolarHBondContact O-CG 3.42Å; T400-L404 PolarHBondContact O-N 3.36Å; V401-L404 PolarHBondContact O-N 2.92Å
405L98.4Very high98Very high9 Ų936.2 Ų36.25%0.04718%0.181CC..Hα-helixtrans-97.7-24.9-179.1-63.5178.7000113T310 I313 R314 L325 V401 E402 K403 I407T310-L405 HydrophobicContact CG2-CD2 3.92Å; T310-L405 HydrophobicContact CG2-CG 4.16Å; I313-L405 HydrophobicContact CB-CD1 4.28Å; I313-L405 HydrophobicContact CB-CD2 3.85Å; I313-L405 HydrophobicContact CD1-CD1 4.42Å; I313-L405 HydrophobicContact CG2-CD1 3.6Å; I313-L405 HydrophobicContact CG2-CD2 3.77Å; I313-L405 HydrophobicContact CG2-CG 4.34Å; R314-L405 HydrophobicContact CG-CD2 3.72Å; L325-L405 HydrophobicContact CD1-CD1 3.51Å; V401-L405 HydrophobicContact CG1-CD1 3.64Å; V401-L405 HydrophobicContact CG1-CG 4.33Å; V401-L405 WeakPolarHBondContact O-CB 3.42Å; V401-L405 WeakPolarHBondContact O-CG 3.46Å; V401-L405 PolarHBondContact O-N 2.91Å; E402-L405 PolarHBondContact O-N 3.4Å; K403-L405 VanDerWaalsContact C-N 3.29Å; K403-L405 PolarHBondContact O-N 3.37Å; L405-I407 HydrophobicContact CB-CB 4.29Å; L405-I407 HydrophobicContact CB-CD1 4.04Å; L405-I407 HydrophobicContact CB-CG1 4.09Å; L405-I407 WeakPolarHBondContact O-CG1 3.46Å; L405-I407 PolarHBondContact O-N 3.41Å
406N98.2Very high97.3Very high150 Ų15038.3 Ų38.380%0.80221%0.206SC*.THydrogen-bonded Turntrans55.139.3-166.3-167.947.1000112.4E402E402-N406 VanDerWaalsContact O-CA 3.25Å; E402-N406 WeakPolarHBondContact O-CA 3.44Å; E402-N406 PolarHBondContact O-N 2.97Å
407I98.5Very high96.6Very high4 Ų438.2 Ų38.22%0.02121%0.208CC..  trans-133131.1178.6-50.1164.2000107.9H317 F322 L325 L405H317-I407 HydrophobicContact CB-CD1 3.71Å; H317-I407 WeakPolarHBondContact ND1-CD1 3.38Å; F322-I407 HydrophobicContact CB-CG2 4.36Å; L325-I407 HydrophobicContact CD1-CB 4.09Å; L325-I407 HydrophobicContact CD1-CD1 4.27Å; L325-I407 HydrophobicContact CD1-CG2 4.14Å; L325-I407 HydrophobicContact CD2-CG2 4.33Å; L325-I407 HydrophobicContact CG-CB 4.25Å; L325-I407 HydrophobicContact CG-CG2 3.73Å; L405-I407 HydrophobicContact CB-CB 4.29Å; L405-I407 HydrophobicContact CB-CD1 4.04Å; L405-I407 HydrophobicContact CB-CG1 4.09Å; L405-I407 WeakPolarHBondContact O-CG1 3.46Å; L405-I407 PolarHBondContact O-N 3.41Å
408P98.4Very high95.7Very high41 Ų4140.9 Ų40.927%0.26622%0.218SC..  trans-69.8138.4179.428.4-34.6000111.9N323 A324 L325 E402 V426N323-P408 WeakPolarHBondContact O-CG 3.34Å; A324-P408 CarbonylContact C-O 3.4Å; A324-P408 VanDerWaalsContact CA-O 3.27Å; A324-P408 WeakPolarHBondContact CA-O 3.3Å; A324-P408 HydrophobicContact CB-CG 4.26Å; L325-P408 PolarHBondContact N-O 3.19Å; E402-P408 WeakPolarHBondContact OE1-CA 3.42Å; P408-V426 HydrophobicContact CB-CB 3.76Å; P408-V426 HydrophobicContact CB-CG1 4.41Å; P408-V426 HydrophobicContact CB-CG2 3.77Å; P408-V426 HydrophobicContact CG-CG2 4.45Å
409I98.7Very high95.1Very high0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-92.1104.1170.3-65.7172.6000108L325 L327 V398 V401 E402 I412 R424L325-I409 HydrophobicContact CB-CG1 4.16Å; L325-I409 CarbonylContact O-C 3.4Å; L327-I409 HydrophobicContact CB-CD1 4.44Å; L327-I409 HydrophobicContact CB-CG2 3.77Å; L327-I409 HydrophobicContact CD2-CD1 4.36Å; V398-I409 HydrophobicContact CG1-CB 4.25Å; V398-I409 HydrophobicContact CG1-CD1 3.95Å; V398-I409 HydrophobicContact CG1-CG2 4.33Å; V401-I409 HydrophobicContact CB-CD1 3.93Å; V401-I409 HydrophobicContact CG1-CD1 3.78Å; E402-I409 HydrophobicContact CG-CB 3.99Å; E402-I409 HydrophobicContact CG-CD1 3.83Å; E402-I409 HydrophobicContact CG-CG1 3.71Å; E402-I409 PolarHBondContact OE1-N 3.31Å; I409-I412 HydrophobicContact CG2-CD1 4.45Å; I409-I412 HydrophobicContact CG2-CG1 3.72Å; I409-R424 PolarHBondContact O-NH1 3.04Å
410R98.2Very high94.8Very high65 Ų6541.7 Ų41.725%0.24523%0.226CC..EExtended strand (participates in β ladder)trans-87.4-33.1-177-178.2167.8-179.5-157.8-2.9113.2Y261 A324 L325 R424 V426Y261-R410 PolarHBondContact OH-NH1 2.96Å; A324-R410 HydrophobicContact CB-CB 3.83Å; L325-R410 PolarHBondContact O-N 3.39Å; R410-R424 PolarHBondContact O-N 3.44Å; R410-V426 HydrophobicContact CB-CG2 3.56Å; R410-V426 HydrophobicContact CG-CG2 3.92Å
411W98.2Very high94.6Very high4 Ų441.4 Ų41.42%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-121.7132.3-178.5-58.6-86.2000110.7L25 L29 Y261 A324 L325 A326 L327 I421 I422L25-W411 HydrophobicContact CD1-CD2 3.65Å; L25-W411 HydrophobicContact CD1-CE3 3.95Å; L25-W411 HydrophobicContact CD1-CG 3.95Å; L25-W411 HydrophobicContact CD1-CZ2 4.3Å; L25-W411 HydrophobicContact CD1-CZ3 4.37Å; L25-W411 HydrophobicContact CD2-CE3 4.41Å; L25-W411 HydrophobicContact CD2-CZ3 4.48Å; L29-W411 HydrophobicContact CD2-CH2 4.46Å; L29-W411 HydrophobicContact CD2-CZ2 3.84Å; Y261-W411 AromaticContact CD1-CH2 3.56Å; Y261-W411 HydrophobicContact CD1-CH2 3.56Å; Y261-W411 AromaticContact CD1-CZ3 3.58Å; Y261-W411 HydrophobicContact CD1-CZ3 3.58Å; Y261-W411 AromaticContact CD2-CH2 3.98Å; Y261-W411 HydrophobicContact CD2-CH2 3.98Å; Y261-W411 HydrophobicContact CD2-CZ3 4.4Å; Y261-W411 AromaticContact CE1-CH2 3.56Å; Y261-W411 HydrophobicContact CE1-CH2 3.56Å; Y261-W411 HydrophobicContact CE1-CZ3 4.03Å; Y261-W411 AromaticContact CE2-CH2 3.98Å; Y261-W411 HydrophobicContact CE2-CH2 3.98Å; Y261-W411 AromaticContact CG-CH2 3.75Å; Y261-W411 HydrophobicContact CG-CH2 3.75Å; Y261-W411 AromaticContact CG-CZ3 3.76Å; Y261-W411 HydrophobicContact CG-CZ3 3.76Å; Y261-W411 AromaticContact CZ-CH2 3.75Å; A324-W411 HydrophobicContact CB-CZ3 4.35Å; L325-W411 PolarHBondContact O-N 3.29Å; A326-W411 CarbonylContact C-O 3.53Å; A326-W411 WeakPolarHBondContact CA-O 3.26Å; A326-W411 HydrophobicContact CB-CB 3.82Å; A326-W411 HydrophobicContact CB-CD2 4.49Å; A326-W411 HydrophobicContact CB-CE3 4Å; A326-W411 HydrophobicContact CB-CG 4.46Å; L327-W411 PolarHBondContact N-O 2.94Å; W411-I421 HydrophobicContact CB-CD1 3.74Å; W411-I421 HydrophobicContact CB-CG1 4.06Å; W411-I421 HydrophobicContact CG-CD1 4.17Å; W411-I422 WeakPolarHBondContact CA-O 3.38Å
412I98.3Very high94.5Very high0 Ų041.4 Ų41.40%022%0.224CC..EExtended strand (participates in β ladder)trans-125.3111.7177.7-55.1163.2000108.5L327 I330 Y387 L390 V398 I409 T414 I421 I422L327-I412 CarbonylContact O-C 3.53Å; L327-I412 WeakPolarHBondContact O-CA 3.36Å; I330-I412 HydrophobicContact CD1-CG2 4.41Å; I330-I412 HydrophobicContact CG2-CG2 4Å; Y387-I412 HydrophobicContact CD2-CD1 3.77Å; Y387-I412 HydrophobicContact CE2-CD1 3.92Å; L390-I412 HydrophobicContact CD1-CD1 4.09Å; V398-I412 HydrophobicContact CG1-CD1 4Å; V398-I412 HydrophobicContact CG2-CD1 4.07Å; I409-I412 HydrophobicContact CG2-CD1 4.45Å; I409-I412 HydrophobicContact CG2-CG1 3.72Å; I412-T414 HydrophobicContact CG2-CG2 4.48Å; I412-I421 CarbonylContact O-C 3.53Å; I412-I421 WeakPolarHBondContact O-CA 3.47Å; I412-I422 HydrophobicContact CB-CB 4.22Å; I412-I422 PolarHBondContact N-O 2.78Å; I412-I422 PolarHBondContact O-N 2.78Å
413G96.7Very high94.4Very high3 Ų344.5 Ų44.53%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-82.6118.4178.700000111.6L327 K329 I330L327-G413 PolarHBondContact O-N 3.4Å; K329-G413 PolarHBondContact N-O 2.94Å; I330-G413 WeakPolarHBondContact CG2-O 3.49Å; I330-G413 PolarHBondContact N-O 3.34Å
414T96.4Very high94.3Very high0 Ų038 Ų380%021%0.21CC..  trans-11025.6-177.954.40000112.4I330 T381 H382 C384 L390 I412 S420 I422I330-T414 HydrophobicContact CG2-CG2 4.13Å; T381-T414 WeakPolarHBondContact O-CB 3.39Å; H382-T414 WeakPolarHBondContact CA-O 3.43Å; C384-T414 HydrophobicContact CB-CG2 4.29Å; C384-T414 PolarHBondContact O-OG1 3.24Å; C384-T414 VanDerWaalsContact O-OG1 3.12Å; L390-T414 HydrophobicContact CD2-CG2 4.12Å; I412-T414 HydrophobicContact CG2-CG2 4.48Å; T414-S420 PolarHBondContact N-O 3.17Å; T414-S420 PolarHBondContact OG1-O 3.39Å; T414-I422 HydrophobicContact CG2-CD1 3.86Å; T414-I422 HydrophobicContact CG2-CG1 4.28Å
415G91.6Very high93.9Very high10 Ų1042.1 Ų42.110%0.10324%0.244CC..SBendtrans156.9-176.7-178.800000112.7K24 D331K24-G415 PolarHBondContact NZ-O 2.86Å; D331-G415 PolarHBondContact OD1-N 3.5Å; D331-G415 VanDerWaalsContact OD1-N 3.13Å
416A84.5Confident93.1Very high86 Ų8646.6 Ų46.671%0.71127%0.271SS*.SBendtrans-79.4-39.1-173.800000114.4
417S83Confident92.9Very high50 Ų5041.5 Ų41.535%0.3525%0.245SC..SBendtrans-59.9150.1-178.1174.30000112.4K24 D419 S420K24-S417 WeakPolarHBondContact CE-O 3.33Å; K24-S417 PolarHBondContact NZ-O 3.22Å; S417-D419 PolarHBondContact O-N 2.87Å; S417-D419 PolarHBondContact OG-N 3.12Å; S417-S420 PolarHBondContact O-N 3.31Å
418R81.4Confident92.6Very high56 Ų5643.4 Ų43.421%0.21126%0.256CS..THydrogen-bonded Turntrans-49.6-42.5168.9-174.2-170.9-61.3177.96.9111.4D27 L28 E31 S420 I421D27-R418 VanDerWaalsContact CG-CZ 3.46Å; D27-R418 VanDerWaalsContact CG-NE 3.31Å; D27-R418 IonicContact OD1-CZ 3.77Å; D27-R418 VanDerWaalsContact OD1-CZ 3.27Å; D27-R418 IonicContact OD1-NE 3.95Å; D27-R418 IonicContact OD1-NH2 3.66Å; D27-R418 PolarHBondContact OD1-NH2 2.91Å; D27-R418 IonicContact OD2-CZ 3.89Å; D27-R418 IonicContact OD2-NE 2.67Å; D27-R418 PolarHBondContact OD2-NE 3.49Å; D27-R418 IonicContact OD2-NH2 2.68Å; D27-R418 PolarHBondContact OD2-NH2 3.17Å; L28-R418 HydrophobicContact CD1-CG 4.43Å; E31-R418 IonicContact OE1-CZ 2.73Å; E31-R418 IonicContact OE1-NE 3.42Å; E31-R418 IonicContact OE1-NH1 3.06Å; E31-R418 PolarHBondContact OE1-NH1 3.47Å; R418-S420 PolarHBondContact O-N 2.86Å; R418-I421 VanDerWaalsContact O-CG2 3.25Å; R418-I421 WeakPolarHBondContact O-CG2 3.37Å
419D86Confident92.3Very high111 Ų11143.6 Ų43.659%0.59426%0.256SS*.THydrogen-bonded Turntrans-72.2-14.6-177-54.6-35.7000113.7R385 S417 I421R385-D419 VanDerWaalsContact CD-O 3.32Å; R385-D419 WeakPolarHBondContact CD-O 3.47Å; R385-D419 PolarHBondContact NE-O 3.46Å; R385-D419 VanDerWaalsContact NE-O 3.17Å; S417-D419 PolarHBondContact O-N 2.87Å; S417-D419 PolarHBondContact OG-N 3.12Å; D419-I421 PolarHBondContact O-N 3.39Å; D419-I421 VanDerWaalsContact O-N 3.1Å
420S91Very high91.9Very high4 Ų446.1 Ų46.13%0.02827%0.271CS..SBendtrans-87.354.9175.3-60.70000110.5K24 T414 S417 R418K24-S420 PolarHBondContact NZ-O 3.47Å; T414-S420 PolarHBondContact N-O 3.17Å; T414-S420 PolarHBondContact OG1-O 3.39Å; S417-S420 PolarHBondContact O-N 3.31Å; R418-S420 PolarHBondContact O-N 2.86Å
421I94.4Very high91.5Very high18 Ų1844.9 Ų44.99%0.09227%0.272CS..EExtended strand (participates in β ladder)trans-138.1125.1175.5-157.3169.3000110.1L28 W411 I412 R418 D419 I423L28-I421 HydrophobicContact CD1-CG2 4.42Å; L28-I421 HydrophobicContact CD2-CD1 3.97Å; L28-I421 HydrophobicContact CD2-CG2 4Å; W411-I421 HydrophobicContact CB-CD1 3.74Å; W411-I421 HydrophobicContact CB-CG1 4.06Å; W411-I421 HydrophobicContact CG-CD1 4.17Å; I412-I421 CarbonylContact O-C 3.53Å; I412-I421 WeakPolarHBondContact O-CA 3.47Å; R418-I421 VanDerWaalsContact O-CG2 3.25Å; R418-I421 WeakPolarHBondContact O-CG2 3.37Å; D419-I421 PolarHBondContact O-N 3.39Å; D419-I421 VanDerWaalsContact O-N 3.1Å; I421-I423 HydrophobicContact CG2-CG1 4.44Å
422I97Very high91.1Very high1 Ų147.7 Ų47.71%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-83.3132.8171.9-59.9168.8000107.6C384 L390 W411 I412 T414 R424C384-I422 HydrophobicContact CB-CD1 4.01Å; L390-I422 HydrophobicContact CD1-CD1 3.77Å; L390-I422 HydrophobicContact CD2-CD1 3.76Å; L390-I422 HydrophobicContact CG-CD1 3.66Å; W411-I422 WeakPolarHBondContact CA-O 3.38Å; I412-I422 HydrophobicContact CB-CB 4.22Å; I412-I422 PolarHBondContact N-O 2.78Å; I412-I422 PolarHBondContact O-N 2.78Å; T414-I422 HydrophobicContact CG2-CD1 3.86Å; T414-I422 HydrophobicContact CG2-CG1 4.28Å; I422-R424 HydrophobicContact CG2-CG 4.42Å
423I96.6Very high90.5Very high96 Ų9651.1 Ų51.149%0.49231%0.31SS..EExtended strand (participates in β ladder)trans-111.5117.9177.1-53.7177.2000108.5L28 I421L28-I423 HydrophobicContact CD2-CD1 4.32Å; I421-I423 HydrophobicContact CG2-CG1 4.44Å
424R96.6Very high90.1Very high42 Ų4254.8 Ų54.816%0.15833%0.332CS..  trans-98.3149.7177.9-66.7169.967.5-151.310.7111.6Y387 E402 I409 R410 I422 V426Y387-R424 HydrophobicContact CD2-CG 4.38Å; Y387-R424 HydrophobicContact CG-CG 4.48Å; E402-R424 IonicContact OE1-CZ 3.59Å; E402-R424 IonicContact OE1-NH1 2.72Å; E402-R424 PolarHBondContact OE1-NH1 3.46Å; E402-R424 IonicContact OE1-NH2 3.59Å; E402-R424 IonicContact OE2-CZ 3.58Å; E402-R424 IonicContact OE2-NH1 3.11Å; E402-R424 PolarHBondContact OE2-NH1 3.09Å; E402-R424 VanDerWaalsContact OE2-NH1 3.11Å; E402-R424 IonicContact OE2-NH2 3.06Å; E402-R424 PolarHBondContact OE2-NH2 3.01Å; I409-R424 PolarHBondContact O-NH1 3.04Å; R410-R424 PolarHBondContact O-N 3.44Å; I422-R424 HydrophobicContact CG2-CG 4.42Å; R424-V426 HydrophobicContact CB-CG1 4Å; R424-V426 PolarHBondContact O-N 3.02Å
425S89.2Confident89.5Confident135 Ų13559.3 Ų59.394%0.94436%0.359SS*.  trans-88.588.5167.9-59.80000108.8
426V83.1Confident89.4Confident103 Ų10363.8 Ų63.862%0.62438%0.383SS*.  trans-121.20179.5-67.40000111.7P408 R410 R424P408-V426 HydrophobicContact CB-CB 3.76Å; P408-V426 HydrophobicContact CB-CG1 4.41Å; P408-V426 HydrophobicContact CB-CG2 3.77Å; P408-V426 HydrophobicContact CG-CG2 4.45Å; R410-V426 HydrophobicContact CB-CG2 3.56Å; R410-V426 HydrophobicContact CG-CG2 3.92Å; R424-V426 HydrophobicContact CB-CG1 4Å; R424-V426 PolarHBondContact O-N 3.02Å

Retrieved 426 of 426 residues in 121 ms (Link to these results)

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