A0A3P9MU75_POERE Loading...

Actin-related protein 2

ATP-binding component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. Seems to contact the pointed end of the daughter actin filament.

AlphaFold DB , UniProt , Accession A0A3P9MU75, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 399 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
1M73.6Confident84.8Confident144 Ų14450.5 Ų50.571%0.70928%0.278SS*.  0150.50-69.6172179.500108R6 K7M1-R6 CarbonylContact C-O 3.59Å; M1-R6 WeakPolarHBondContact CA-O 3.45Å; M1-K7 HydrophobicContact CE-CG 4.3Å; M1-K7 HydrophobicContact CG-CG 4.41Å
2D74.7Confident85.7Confident9 Ų946.9 Ų46.95%0.04826%0.258CS..  trans-77.5176.7169.878-3.1000111.1Q4 G5 R6 K111 K371D2-Q4 PolarHBondContact O-N 2.77Å; D2-Q4 VanDerWaalsContact O-N 3.11Å; D2-Q4 WeakPolarHBondContact OD1-CA 3.49Å; D2-Q4 PolarHBondContact OD1-N 2.91Å; D2-G5 WeakPolarHBondContact O-CA 3.3Å; D2-G5 PolarHBondContact O-N 2.96Å; D2-G5 PolarHBondContact OD1-N 3.02Å; D2-R6 PolarHBondContact N-O 3.06Å; D2-R6 WeakPolarHBondContact OD1-CA 3.34Å; D2-R6 VanDerWaalsContact OD1-CB 3.3Å; D2-R6 WeakPolarHBondContact OD1-CB 3.32Å; D2-R6 PolarHBondContact OD1-N 2.71Å; D2-R6 IonicContact OD1-NE 3.36Å; D2-R6 IonicContact OD2-CZ 2.7Å; D2-R6 IonicContact OD2-NE 2.78Å; D2-R6 PolarHBondContact OD2-NE 3.05Å; D2-R6 IonicContact OD2-NH2 3.93Å; D2-R6 PolarHBondContact OD2-NH2 3.3Å; D2-K111 WeakPolarHBondContact OD2-CE 3.29Å; D2-K111 IonicContact OD2-NZ 3.13Å; D2-K111 PolarHBondContact OD2-NZ 3.24Å; D2-K371 HydrophobicContact CB-CB 4.19Å; D2-K371 HydrophobicContact CB-CG 4.44Å
3S70.4Confident86.2Confident96 Ų9644.4 Ų44.467%0.67124%0.244SC*.THydrogen-bonded Turntrans-56.9-19.3178.344.90000114.5D372S3-D372 WeakPolarHBondContact CB-OD1 3.21Å; S3-D372 PolarHBondContact N-OD1 2.64Å; S3-D372 PolarHBondContact OG-OD1 3.21Å
4Q73.9Confident86.5Confident129 Ų12941.9 Ų41.960%0.60323%0.234SC*.THydrogen-bonded Turntrans-97.77.2175.1-60.4-178.54.300112.3D2 R6D2-Q4 PolarHBondContact O-N 2.77Å; D2-Q4 VanDerWaalsContact O-N 3.11Å; D2-Q4 WeakPolarHBondContact OD1-CA 3.49Å; D2-Q4 PolarHBondContact OD1-N 2.91Å; Q4-R6 VanDerWaalsContact C-N 3.31Å; Q4-R6 HydrophobicContact CB-CG 4.4Å; Q4-R6 VanDerWaalsContact CD-NH2 3.27Å; Q4-R6 PolarHBondContact O-N 3.44Å; Q4-R6 VanDerWaalsContact OE1-NH1 3.15Å
5G79.4Confident86.8Confident45 Ų4539.8 Ų39.846%0.46422%0.222SC..SBendtrans79.85.5-178.300000114.5D2D2-G5 WeakPolarHBondContact O-CA 3.3Å; D2-G5 PolarHBondContact O-N 2.96Å; D2-G5 PolarHBondContact OD1-N 3.02Å
6R84.3Confident87Confident46 Ų4637.7 Ų37.717%0.17421%0.212CC..  trans-74.6141-178-60.9177.5-69.1-157.3-9.6110.8M1 D2 Q4 N109 K111M1-R6 CarbonylContact C-O 3.59Å; M1-R6 WeakPolarHBondContact CA-O 3.45Å; D2-R6 PolarHBondContact N-O 3.06Å; D2-R6 WeakPolarHBondContact OD1-CA 3.34Å; D2-R6 VanDerWaalsContact OD1-CB 3.3Å; D2-R6 WeakPolarHBondContact OD1-CB 3.32Å; D2-R6 PolarHBondContact OD1-N 2.71Å; D2-R6 IonicContact OD1-NE 3.36Å; D2-R6 IonicContact OD2-CZ 2.7Å; D2-R6 IonicContact OD2-NE 2.78Å; D2-R6 PolarHBondContact OD2-NE 3.05Å; D2-R6 IonicContact OD2-NH2 3.93Å; D2-R6 PolarHBondContact OD2-NH2 3.3Å; Q4-R6 VanDerWaalsContact C-N 3.31Å; Q4-R6 HydrophobicContact CB-CG 4.4Å; Q4-R6 VanDerWaalsContact CD-NH2 3.27Å; Q4-R6 PolarHBondContact O-N 3.44Å; Q4-R6 VanDerWaalsContact OE1-NH1 3.15Å; R6-N109 WeakPolarHBondContact CB-O 3.43Å; R6-N109 WeakPolarHBondContact CG-O 3.33Å; R6-K111 VanDerWaalsContact NH2-CE 3.32Å; R6-K111 VanDerWaalsContact NH2-NZ 3.1Å
7K90.2Very high87.4Confident80 Ų8038.5 Ų38.535%0.34821%0.213SC..EExtended strand (participates in β ladder)trans-75.7140.9171.2-65-178-179.2-178.80109.3M1 Y22 C110 K111M1-K7 HydrophobicContact CE-CG 4.3Å; M1-K7 HydrophobicContact CG-CG 4.41Å; K7-Y22 HydrophobicContact CB-CD1 4.33Å; K7-Y22 HydrophobicContact CB-CE1 4.13Å; K7-Y22 HydrophobicContact CD-CE1 3.79Å; K7-Y22 HydrophobicContact CG-CE1 4.44Å; K7-C110 VanDerWaalsContact O-CA 3.3Å; K7-C110 WeakPolarHBondContact O-CA 3.38Å; K7-K111 PolarHBondContact O-N 2.83Å
8V94.9Very high87.9Confident6 Ų636.3 Ų36.34%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-110.3116.2175.2-173.60000107.7Y22 A23 K111 A367 K371 W377V8-Y22 WeakPolarHBondContact O-CA 3.34Å; V8-A23 HydrophobicContact CB-CB 3.77Å; V8-A23 HydrophobicContact CG1-CB 3.91Å; V8-A23 PolarHBondContact O-N 3.36Å; V8-K111 WeakPolarHBondContact CA-O 3.41Å; V8-K111 HydrophobicContact CG1-CB 4.35Å; V8-K111 HydrophobicContact CG2-CB 4.31Å; V8-K111 HydrophobicContact CG2-CD 4.44Å; V8-A367 HydrophobicContact CG1-CB 3.87Å; V8-K371 HydrophobicContact CG2-CB 3.85Å; V8-W377 HydrophobicContact CG1-CH2 3.51Å; V8-W377 HydrophobicContact CG1-CZ2 3.7Å
9V96.7Very high88.4Confident0 Ų035.9 Ų35.90%020%0.197CC..EExtended strand (participates in β ladder)trans-100.9141.9-174.21800000108.7G21 Y22 L103 I105 C110 K111 I112 L113V9-G21 WeakPolarHBondContact CA-O 3.4Å; V9-Y22 HydrophobicContact CG2-CD1 4.25Å; V9-Y22 HydrophobicContact CG2-CE1 4.11Å; V9-L103 HydrophobicContact CG1-CD1 3.66Å; V9-I105 HydrophobicContact CG1-CD1 4.44Å; V9-I105 HydrophobicContact CG2-CD1 3.66Å; V9-C110 HydrophobicContact CG2-CB 4.4Å; V9-K111 PolarHBondContact N-O 3.22Å; V9-I112 HydrophobicContact CB-CG1 4.29Å; V9-I112 HydrophobicContact CG1-CD1 4.48Å; V9-I112 HydrophobicContact CG1-CG1 4.36Å; V9-I112 CarbonylContact O-C 3.57Å; V9-I112 WeakPolarHBondContact O-CA 3.34Å; V9-L113 PolarHBondContact O-N 3.31Å
10V97.3Very high88.8Confident0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-119130.9172.4-179.10000108.1C20 G21 L113 F360 A367V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.46Å; V10-G21 PolarHBondContact N-O 2.85Å; V10-G21 PolarHBondContact O-N 2.82Å; V10-G21 VanDerWaalsContact O-N 3.08Å; V10-L113 WeakPolarHBondContact CA-O 3.12Å; V10-L113 HydrophobicContact CG1-CD2 4.13Å; V10-L113 HydrophobicContact CG2-CB 4.31Å; V10-F360 HydrophobicContact CB-CD2 4.31Å; V10-F360 HydrophobicContact CB-CE2 3.83Å; V10-F360 HydrophobicContact CB-CZ 4.45Å; V10-F360 HydrophobicContact CG1-CD2 3.85Å; V10-F360 HydrophobicContact CG1-CE2 3.89Å; V10-A367 HydrophobicContact CG2-CB 3.78Å
11C97Very high89.2Confident0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-136112.2179.8-172.70000110.7C20 I112 L113 L114 T115C11-C20 HydrophobicContact CB-CB 4.33Å; C11-I112 HydrophobicContact CB-CD1 4.36Å; C11-L113 PolarHBondContact N-O 2.92Å; C11-L114 HydrophobicContact CB-CD2 3.93Å; C11-T115 PolarHBondContact O-N 3.29Å
12D95.7Very high90.2Very high8 Ų827.6 Ų27.64%0.04315%0.152CC..EExtended strand (participates in β ladder)trans-92.8106171175.946.3000110.3G14 V18 K19 T115 Q146 V359D12-G14 PolarHBondContact O-N 3.29Å; D12-G14 VanDerWaalsContact O-N 3.14Å; D12-V18 WeakPolarHBondContact O-CA 3.37Å; D12-K19 HydrophobicContact CB-CB 4.39Å; D12-K19 HydrophobicContact CB-CD 4.21Å; D12-K19 PolarHBondContact N-O 3.39Å; D12-K19 PolarHBondContact O-N 3.07Å; D12-K19 WeakPolarHBondContact OD2-CD 3.33Å; D12-K19 IonicContact OD2-NZ 3.12Å; D12-K19 PolarHBondContact OD2-NZ 3.39Å; D12-T115 VanDerWaalsContact CA-OG1 3.31Å; D12-T115 WeakPolarHBondContact CA-OG1 3.38Å; D12-T115 HydrophobicContact CB-CG2 4.07Å; D12-T115 PolarHBondContact OD1-OG1 3.02Å; D12-Q146 PolarHBondContact OD1-NE2 3.35Å; D12-V359 HydrophobicContact CB-CG1 4.35Å
13N92.8Very high91.2Very high14 Ų1428.1 Ų28.18%0.07516%0.158CC..EExtended strand (participates in β ladder)trans-84.782.3179.6-57.9-68.2000109.8M79 M90 W94N13-M79 HydrophobicContact CB-CE 4.14Å; N13-M79 HydrophobicContact CB-SD 3.78Å; N13-M90 HydrophobicContact CB-CE 4.01Å; N13-M90 WeakPolarHBondContact OD1-CE 3.47Å; N13-W94 PolarHBondContact OD1-NE1 3.23Å; N13-W94 VanDerWaalsContact OD1-NE1 3.11Å
14G90.8Very high92.1Very high10 Ų1025.5 Ų25.510%0.10315%0.146CC..  trans-84.7145.5176.300000112.8D12 G16 F17 A34 M79D12-G14 PolarHBondContact O-N 3.29Å; D12-G14 VanDerWaalsContact O-N 3.14Å; G14-G16 PolarHBondContact O-N 3.13Å; G14-G16 VanDerWaalsContact O-N 3.12Å; G14-F17 VanDerWaalsContact CA-O 3.28Å; G14-F17 WeakPolarHBondContact CA-O 3.42Å; G14-F17 PolarHBondContact N-O 2.73Å; G14-F17 CarbonylContact O-C 3.59Å; G14-F17 PolarHBondContact O-N 3.47Å; G14-A34 WeakPolarHBondContact O-CB 3.45Å; G14-M79 WeakPolarHBondContact O-CE 2.92Å
15T90.1Very high93Very high10 Ų1021 Ų216%0.06113%0.129CC..SBendtrans-50.8-38.4178.8-44.60000114.3M79 G82T15-M79 WeakPolarHBondContact CG2-O 3.45Å; T15-G82 WeakPolarHBondContact OG1-CA 3.28Å; T15-G82 PolarHBondContact OG1-N 3.49Å
16G90.6Very high93.3Very high6 Ų623.8 Ų23.86%0.06213%0.133CC..SBendtrans-96.7-39.217900000113.3G14 P33 A34 D166G14-G16 PolarHBondContact O-N 3.13Å; G14-G16 VanDerWaalsContact O-N 3.12Å; G16-P33 CarbonylContact O-C 3.5Å; G16-P33 WeakPolarHBondContact O-CA 3.47Å; G16-A34 PolarHBondContact O-N 3.01Å; G16-D166 WeakPolarHBondContact CA-OD2 3.26Å
17F94.3Very high93.6Very high51 Ų5127.3 Ų27.322%0.22415%0.15CC..EExtended strand (participates in β ladder)trans-140.8133.6-172.8-65.1-90000110.8G14 K19 I31 F32 P33G14-F17 VanDerWaalsContact CA-O 3.28Å; G14-F17 WeakPolarHBondContact CA-O 3.42Å; G14-F17 PolarHBondContact N-O 2.73Å; G14-F17 CarbonylContact O-C 3.59Å; G14-F17 PolarHBondContact O-N 3.47Å; F17-K19 WeakPolarHBondContact O-CE 3.3Å; F17-K19 PolarHBondContact O-NZ 2.98Å; F17-I31 HydrophobicContact CB-CG2 4.27Å; F17-I31 HydrophobicContact CD1-CG2 4.21Å; F17-F32 CarbonylContact C-O 3.57Å; F17-F32 VanDerWaalsContact CA-O 3.28Å; F17-F32 WeakPolarHBondContact CA-O 3.26Å; F17-P33 HydrophobicContact CD1-CG 4.38Å; F17-P33 HydrophobicContact CE1-CB 4.49Å; F17-P33 HydrophobicContact CE1-CG 4.04Å
18V96.3Very high93.8Very high0 Ų024.2 Ų24.20%014%0.138CC..EExtended strand (participates in β ladder)trans-81.7136.6165.5-178.80000108.2D12 I31 F32 A34 L93 T97D12-V18 WeakPolarHBondContact O-CA 3.37Å; V18-I31 WeakPolarHBondContact O-CA 3.37Å; V18-F32 HydrophobicContact CB-CD2 4.2Å; V18-F32 HydrophobicContact CB-CE1 4.18Å; V18-F32 HydrophobicContact CB-CE2 3.66Å; V18-F32 HydrophobicContact CB-CZ 3.64Å; V18-F32 HydrophobicContact CG1-CE1 4.13Å; V18-F32 HydrophobicContact CG1-CE2 4.16Å; V18-F32 HydrophobicContact CG1-CZ 3.65Å; V18-F32 HydrophobicContact CG2-CD2 4.49Å; V18-F32 HydrophobicContact CG2-CE2 3.83Å; V18-F32 HydrophobicContact CG2-CZ 4.18Å; V18-F32 PolarHBondContact N-O 2.91Å; V18-F32 PolarHBondContact O-N 3.34Å; V18-A34 HydrophobicContact CG2-CB 3.96Å; V18-L93 HydrophobicContact CG2-CD1 4.16Å; V18-L93 HydrophobicContact CG2-CD2 3.75Å; V18-L93 HydrophobicContact CG2-CG 4.07Å; V18-T97 HydrophobicContact CG1-CG2 4.48Å
19K96.4Very high93.8Very high28 Ų2828.9 Ų28.912%0.12216%0.159CC..EExtended strand (participates in β ladder)trans-124.4120.5170.4-5094.7-172.3169.40108.3D12 F17 P28 H30 I31 F360D12-K19 HydrophobicContact CB-CB 4.39Å; D12-K19 HydrophobicContact CB-CD 4.21Å; D12-K19 PolarHBondContact N-O 3.39Å; D12-K19 PolarHBondContact O-N 3.07Å; D12-K19 WeakPolarHBondContact OD2-CD 3.33Å; D12-K19 IonicContact OD2-NZ 3.12Å; D12-K19 PolarHBondContact OD2-NZ 3.39Å; F17-K19 WeakPolarHBondContact O-CE 3.3Å; F17-K19 PolarHBondContact O-NZ 2.98Å; K19-P28 HydrophobicContact CB-CB 3.85Å; K19-P28 HydrophobicContact CB-CG 3.89Å; K19-P28 HydrophobicContact CG-CG 4.38Å; K19-H30 WeakPolarHBondContact CA-O 3.36Å; K19-I31 HydrophobicContact CB-CG1 4.4Å; K19-I31 HydrophobicContact CG-CG1 4.07Å; K19-I31 HydrophobicContact CG-CG2 4.23Å; K19-F360 HydrophobicContact CB-CB 4.49Å; K19-F360 HydrophobicContact CB-CD2 4.4Å
20C96.7Very high93.8Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-136.9160.6-177.6670000111.8V10 C11 E29 H30 T97 L103V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.46Å; C11-C20 HydrophobicContact CB-CB 4.33Å; C20-E29 PolarHBondContact O-N 2.97Å; C20-H30 PolarHBondContact N-O 3.45Å; C20-H30 PolarHBondContact O-N 2.88Å; C20-T97 HydrophobicContact CB-CG2 3.96Å; C20-L103 HydrophobicContact CB-CD1 4.16Å
21G96.6Very high93.7Very high0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans168.6-156.9-178.200000110.1V9 V10V9-G21 WeakPolarHBondContact CA-O 3.4Å; V10-G21 PolarHBondContact N-O 2.85Å; V10-G21 PolarHBondContact O-N 2.82Å; V10-G21 VanDerWaalsContact O-N 3.08Å
22Y96.1Very high93.6Very high41 Ų4134.6 Ų34.616%0.16119%0.187CC..EExtended strand (participates in β ladder)trans-108.6158.5-176.1-60.5-76.8000112.9K7 V8 V9 S25 E29 L103 I105K7-Y22 HydrophobicContact CB-CD1 4.33Å; K7-Y22 HydrophobicContact CB-CE1 4.13Å; K7-Y22 HydrophobicContact CD-CE1 3.79Å; K7-Y22 HydrophobicContact CG-CE1 4.44Å; V8-Y22 WeakPolarHBondContact O-CA 3.34Å; V9-Y22 HydrophobicContact CG2-CD1 4.25Å; V9-Y22 HydrophobicContact CG2-CE1 4.11Å; Y22-S25 VanDerWaalsContact O-CB 3.27Å; Y22-S25 WeakPolarHBondContact O-CB 3.25Å; Y22-S25 PolarHBondContact O-N 3.34Å; Y22-S25 PolarHBondContact O-OG 3.01Å; Y22-E29 WeakPolarHBondContact CD2-OE2 3.4Å; Y22-E29 WeakPolarHBondContact CE2-OE2 3.4Å; Y22-L103 HydrophobicContact CE2-CD2 4.34Å; Y22-L103 PolarHBondContact OH-O 2.87Å; Y22-I105 HydrophobicContact CE1-CG2 4.23Å; Y22-I105 WeakPolarHBondContact OH-CG2 3.47Å
23A94.4Very high93.5Very high20 Ų2034.9 Ų34.917%0.16519%0.19CC..THydrogen-bonded Turntrans-56.1139.7168.100000110.9V8 S25 A367 D368V8-A23 HydrophobicContact CB-CB 3.77Å; V8-A23 HydrophobicContact CG1-CB 3.91Å; V8-A23 PolarHBondContact O-N 3.36Å; A23-S25 VanDerWaalsContact C-N 3.26Å; A23-S25 PolarHBondContact O-N 3.2Å; A23-A367 HydrophobicContact CB-CB 3.73Å; A23-D368 HydrophobicContact CB-CB 4.1Å
24G90.1Very high93.6Very high42 Ų4234.2 Ų34.243%0.43319%0.187SC..THydrogen-bonded Turntrans81.6-5-177.100000114.7A364G24-A364 PolarHBondContact N-O 2.91Å
25S91.7Very high93.6Very high33 Ų3333.9 Ų33.923%0.23118%0.182CC..  trans-72.7132.8175.9-66.80000112Y22 A23 F27 A364Y22-S25 VanDerWaalsContact O-CB 3.27Å; Y22-S25 WeakPolarHBondContact O-CB 3.25Å; Y22-S25 PolarHBondContact O-N 3.34Å; Y22-S25 PolarHBondContact O-OG 3.01Å; A23-S25 VanDerWaalsContact C-N 3.26Å; A23-S25 PolarHBondContact O-N 3.2Å; S25-F27 VanDerWaalsContact C-N 3.32Å; S25-F27 WeakPolarHBondContact CB-O 3.33Å; S25-A364 WeakPolarHBondContact O-CB 3.42Å
26N87.2Confident93.8Very high104 Ų10433.4 Ų33.456%0.55618%0.18SC*.SBendtrans-77.2-17.9176.6-78.2-46000113.9
27F89.2Confident93.8Very high121 Ų12133.1 Ų33.153%0.53118%0.177SC..SBendtrans-139.3149.7178-62.2-81.1000108.8S25 E29S25-F27 VanDerWaalsContact C-N 3.32Å; S25-F27 WeakPolarHBondContact CB-O 3.33Å; F27-E29 PolarHBondContact O-N 2.92Å
28P94.1Very high93.6Very high15 Ų1534.4 Ų34.410%0.09718%0.18CC..  trans-58.4135.2167.5-13.925.9000109.6K19 H30 I31 H357 F360K19-P28 HydrophobicContact CB-CB 3.85Å; K19-P28 HydrophobicContact CB-CG 3.89Å; K19-P28 HydrophobicContact CG-CG 4.38Å; P28-H30 VanDerWaalsContact C-N 3.35Å; P28-I31 HydrophobicContact CB-CD1 4.26Å; P28-I31 HydrophobicContact CB-CG1 3.82Å; P28-I31 HydrophobicContact CG-CD1 4.11Å; P28-I31 HydrophobicContact CG-CG1 4.13Å; P28-H357 HydrophobicContact CG-CB 4.07Å; P28-F360 VanDerWaalsContact CA-CE1 3.44Å; P28-F360 HydrophobicContact CB-CD1 4.05Å; P28-F360 HydrophobicContact CB-CD2 4.32Å; P28-F360 HydrophobicContact CB-CE1 4.07Å; P28-F360 HydrophobicContact CB-CE2 4.33Å; P28-F360 HydrophobicContact CB-CG 4.19Å; P28-F360 HydrophobicContact CB-CZ 4.22Å; P28-F360 HydrophobicContact CG-CB 4.23Å; P28-F360 HydrophobicContact CG-CD1 3.57Å; P28-F360 HydrophobicContact CG-CD2 4.38Å; P28-F360 HydrophobicContact CG-CE1 4.04Å; P28-F360 HydrophobicContact CG-CG 3.78Å
29E94.9Very high93.1Very high104 Ų10436.3 Ų36.349%0.48619%0.192SC..SBendtrans-73.6-35178.9-170.5167.8-178.600110.9C20 Y22 F27C20-E29 PolarHBondContact O-N 2.97Å; Y22-E29 WeakPolarHBondContact CD2-OE2 3.4Å; Y22-E29 WeakPolarHBondContact CE2-OE2 3.4Å; F27-E29 PolarHBondContact O-N 2.92Å
30H96.7Very high92.2Very high44 Ų4440.2 Ų40.220%0.20421%0.213CC..EExtended strand (participates in β ladder)trans-130.4137.7172.6-52.4-70.1000111.4K19 C20 P28 F32 K102K19-H30 WeakPolarHBondContact CA-O 3.36Å; C20-H30 PolarHBondContact N-O 3.45Å; C20-H30 PolarHBondContact O-N 2.88Å; P28-H30 VanDerWaalsContact C-N 3.35Å; H30-F32 HydrophobicContact CB-CD1 4.19Å; H30-F32 HydrophobicContact CB-CE1 4.35Å; H30-K102 HydrophobicContact CB-CD 4.18Å; H30-K102 PolarHBondContact NE2-O 3.26Å
31I95.7Very high91Very high74 Ų7446 Ų4638%0.37924%0.243SC..EExtended strand (participates in β ladder)trans-131121.8170.8-56.9168.7000106F17 V18 K19 P28F17-I31 HydrophobicContact CB-CG2 4.27Å; F17-I31 HydrophobicContact CD1-CG2 4.21Å; V18-I31 WeakPolarHBondContact O-CA 3.37Å; K19-I31 HydrophobicContact CB-CG1 4.4Å; K19-I31 HydrophobicContact CG-CG1 4.07Å; K19-I31 HydrophobicContact CG-CG2 4.23Å; P28-I31 HydrophobicContact CB-CD1 4.26Å; P28-I31 HydrophobicContact CB-CG1 3.82Å; P28-I31 HydrophobicContact CG-CD1 4.11Å; P28-I31 HydrophobicContact CG-CG1 4.13Å
32F95.2Very high89.2Confident1 Ų157 Ų570%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-146.9156.9179.555.5-91000110.8F17 V18 H30 L93 Y96 T97 K102F17-F32 CarbonylContact C-O 3.57Å; F17-F32 VanDerWaalsContact CA-O 3.28Å; F17-F32 WeakPolarHBondContact CA-O 3.26Å; V18-F32 HydrophobicContact CB-CD2 4.2Å; V18-F32 HydrophobicContact CB-CE1 4.18Å; V18-F32 HydrophobicContact CB-CE2 3.66Å; V18-F32 HydrophobicContact CB-CZ 3.64Å; V18-F32 HydrophobicContact CG1-CE1 4.13Å; V18-F32 HydrophobicContact CG1-CE2 4.16Å; V18-F32 HydrophobicContact CG1-CZ 3.65Å; V18-F32 HydrophobicContact CG2-CD2 4.49Å; V18-F32 HydrophobicContact CG2-CE2 3.83Å; V18-F32 HydrophobicContact CG2-CZ 4.18Å; V18-F32 PolarHBondContact N-O 2.91Å; V18-F32 PolarHBondContact O-N 3.34Å; H30-F32 HydrophobicContact CB-CD1 4.19Å; H30-F32 HydrophobicContact CB-CE1 4.35Å; F32-L93 HydrophobicContact CE2-CD1 3.83Å; F32-Y96 HydrophobicContact CD1-CE1 4.27Å; F32-Y96 AromaticContact CD2-CD1 3.97Å; F32-Y96 HydrophobicContact CD2-CD1 3.97Å; F32-Y96 AromaticContact CD2-CE1 3.6Å; F32-Y96 HydrophobicContact CD2-CE1 3.6Å; F32-Y96 HydrophobicContact CE1-CD1 4.48Å; F32-Y96 HydrophobicContact CE1-CE1 4.35Å; F32-Y96 AromaticContact CE2-CD1 3.56Å; F32-Y96 HydrophobicContact CE2-CD1 3.56Å; F32-Y96 AromaticContact CE2-CE1 3.69Å; F32-Y96 HydrophobicContact CE2-CE1 3.69Å; F32-Y96 AromaticContact CG-CE1 3.9Å; F32-Y96 HydrophobicContact CG-CE1 3.9Å; F32-Y96 AromaticContact CZ-CD1 3.85Å; F32-Y96 HydrophobicContact CZ-CD1 3.85Å; F32-Y96 HydrophobicContact CZ-CE1 4.07Å; F32-T97 HydrophobicContact CZ-CG2 4.27Å; F32-T97 WeakPolarHBondContact CZ-OG1 3.32Å; F32-K102 HydrophobicContact CD1-CD 4.01Å; F32-K102 HydrophobicContact CD1-CG 4.29Å; F32-K102 HydrophobicContact CE1-CD 4.17Å; F32-K102 HydrophobicContact CE1-CG 3.96Å
33P93.6Very high87Confident14 Ų1458.4 Ų58.49%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-61.5137.7179.9-23.835.1000112.6G16 F17 L35 G63 D64G16-P33 CarbonylContact O-C 3.5Å; G16-P33 WeakPolarHBondContact O-CA 3.47Å; F17-P33 HydrophobicContact CD1-CG 4.38Å; F17-P33 HydrophobicContact CE1-CB 4.49Å; F17-P33 HydrophobicContact CE1-CG 4.04Å; P33-L35 HydrophobicContact CB-CD2 3.37Å; P33-L35 HydrophobicContact CB-CG 3.81Å; P33-L35 HydrophobicContact CG-CD2 4.22Å; P33-L35 PolarHBondContact O-N 3.18Å; P33-G63 WeakPolarHBondContact O-CA 3.27Å; P33-D64 WeakPolarHBondContact CD-OD1 3.39Å
34A94.3Very high84.8Confident1 Ų163.1 Ų63.11%0.00833%0.327CS..  trans-81.664178.100000111.2G14 G16 V18 Y77 P78 M79 L93G14-A34 WeakPolarHBondContact O-CB 3.45Å; G16-A34 PolarHBondContact O-N 3.01Å; V18-A34 HydrophobicContact CG2-CB 3.96Å; A34-Y77 WeakPolarHBondContact O-CD1 3.41Å; A34-P78 WeakPolarHBondContact O-CD 3.21Å; A34-M79 HydrophobicContact CB-CE 3.69Å; A34-L93 HydrophobicContact CB-CD2 4.02Å
35L91.5Very high82.5Confident3 Ų364 Ų642%0.01633%0.33CS..  trans-132.9150-173.266.686.5000112.3P33 V62 G63 A66 V75 Y77P33-L35 HydrophobicContact CB-CD2 3.37Å; P33-L35 HydrophobicContact CB-CG 3.81Å; P33-L35 HydrophobicContact CG-CD2 4.22Å; P33-L35 PolarHBondContact O-N 3.18Å; L35-V62 WeakPolarHBondContact O-CA 3.3Å; L35-G63 WeakPolarHBondContact CD1-O 3.21Å; L35-G63 PolarHBondContact O-N 2.92Å; L35-A66 HydrophobicContact CD1-CB 3.08Å; L35-V75 HydrophobicContact CB-CG1 3.84Å; L35-V75 HydrophobicContact CD1-CG1 4.15Å; L35-V75 HydrophobicContact CG-CG1 4.42Å; L35-Y77 HydrophobicContact CB-CD1 4.23Å; L35-Y77 HydrophobicContact CB-CE1 3.99Å
36V93.4Very high80.3Confident0 Ų069.8 Ų69.80%035%0.351CS..EExtended strand (participates in β ladder)trans-129.5120.6177.31800000107.7L60 M61 V62 N76 D89V36-L60 HydrophobicContact CG1-CD1 3.36Å; V36-L60 HydrophobicContact CG1-CD2 4.05Å; V36-L60 HydrophobicContact CG1-CG 3.8Å; V36-M61 CarbonylContact C-O 3.58Å; V36-V62 HydrophobicContact CG1-CG2 4.46Å; V36-V62 HydrophobicContact CG2-CG1 4.47Å; V36-V62 HydrophobicContact CG2-CG2 4.35Å; V36-N76 PolarHBondContact N-O 3.05Å; V36-N76 PolarHBondContact O-N 3.14Å; V36-D89 HydrophobicContact CB-CB 4.4Å; V36-D89 HydrophobicContact CG2-CB 4.11Å
37G91.4Very high78.3Confident0 Ų069.6 Ų69.60%035%0.354CS..EExtended strand (participates in β ladder)trans-111.2134.6-178.400000111.9M61 E74G37-M61 PolarHBondContact N-O 3.35Å; G37-M61 PolarHBondContact O-N 3.29Å; G37-E74 WeakPolarHBondContact CA-O 3.35Å
38R89.8Confident76.9Confident78 Ų7867.1 Ų67.129%0.29436%0.362SS..EExtended strand (participates in β ladder)trans-113.2133.6172.9-69.1176.3176.181.72.3109.5I40 L60 L73 E74 N76 D89R38-I40 PolarHBondContact O-N 3.48Å; R38-L60 HydrophobicContact CG-CD1 3.66Å; R38-L73 CarbonylContact O-C 3.33Å; R38-L73 WeakPolarHBondContact O-CA 3.43Å; R38-E74 PolarHBondContact N-O 3.22Å; R38-E74 PolarHBondContact O-N 3.37Å; R38-N76 PolarHBondContact NH1-ND2 3.17Å; R38-D89 IonicContact CZ-OD1 2.81Å; R38-D89 IonicContact NH1-OD1 2.95Å; R38-D89 PolarHBondContact NH1-OD1 3.46Å; R38-D89 IonicContact NH1-OD2 3.94Å; R38-D89 IonicContact NH2-OD1 2.63Å; R38-D89 PolarHBondContact NH2-OD1 3.23Å
39P85.8Confident74.5Confident39 Ų3974.8 Ų74.825%0.25340%0.402SS..EExtended strand (participates in β ladder)trans-61.1131.7180-2433.8000113I41 M58 D59 L73P39-I41 VanDerWaalsContact C-N 3.29Å; P39-I41 PolarHBondContact O-N 2.91Å; P39-M58 VanDerWaalsContact CG-O 3.31Å; P39-M58 WeakPolarHBondContact CG-O 3.19Å; P39-D59 WeakPolarHBondContact CD-O 3.32Å; P39-L73 HydrophobicContact CB-CD2 4.23Å; P39-L73 HydrophobicContact CG-CD2 3.95Å
40I77.2Confident72.3Confident110 Ų11076.1 Ų76.156%0.56441%0.411SS*.SBendtrans-68.8-33.8178.4-59.8170000110.5R38 M72 E74R38-I40 PolarHBondContact O-N 3.48Å; I40-M72 PolarHBondContact N-O 3.26Å; I40-E74 HydrophobicContact CG1-CB 4.27Å
41I71.7Confident69.7Low122 Ų12279.8 Ų79.863%0.62643%0.428SS*.  trans-119.9119.1-178.5-50.4177.4000108.6P39 S43P39-I41 VanDerWaalsContact C-N 3.29Å; P39-I41 PolarHBondContact O-N 2.91Å; I41-S43 VanDerWaalsContact CG2-OG 3.23Å; I41-S43 WeakPolarHBondContact CG2-OG 3.21Å; I41-S43 PolarHBondContact O-N 2.91Å
42R60Low67.5Low231 Ų23180.6 Ų80.687%0.87243%0.433SS*.  trans-81.344.7173.9-65.5-175.8177.9175.6-1.4112.3
43S49Very low65Low70 Ų7088.2 Ų88.249%0.4947%0.466SS..  trans-105.6126.4178.762.80000111.4I41 A45I41-S43 VanDerWaalsContact CG2-OG 3.23Å; I41-S43 WeakPolarHBondContact CG2-OG 3.21Å; I41-S43 PolarHBondContact O-N 2.91Å; S43-A45 VanDerWaalsContact C-N 3.28Å; S43-A45 PolarHBondContact O-N 3.14Å
44T49Very low62.6Low120 Ų12093.9 Ų93.974%0.73650%0.496SS*.  trans-69.383.2167.5500000109.1
45A42.3Very low60.1Low59 Ų5997.6 Ų97.649%0.48852%0.521SS..  trans-129.3116.9170.500000109.3S43 V47S43-A45 VanDerWaalsContact C-N 3.28Å; S43-A45 PolarHBondContact O-N 3.14Å; A45-V47 PolarHBondContact O-N 2.85Å
46K44.4Very low57.9Low155 Ų155106.4 Ų106.467%0.67456%0.562SS**  trans-52.7131.3172.3-76.8-174.7168.7-166.90109.7E51K46-E51 IonicContact NZ-OE1 3.38Å; K46-E51 PolarHBondContact NZ-OE1 3.32Å
47V44.4Very low55.7Low101 Ų101111.8 Ų111.861%0.61259%0.586SS**  trans-127.4106.2167.4-175.70000108.6A45A45-V47 PolarHBondContact O-N 2.85Å
48G60.3Low53.9Low69 Ų69114.6 Ų114.671%0.71160%0.599SS**THydrogen-bonded Turntrans81.9-156.5175.100000116.1I50G48-I50 VanDerWaalsContact C-N 3.27Å; G48-I50 PolarHBondContact O-N 3.24Å
49N44.8Very low52.9Low175 Ų175115.9 Ų115.994%0.93661%0.612SS**THydrogen-bonded Turntrans-81.10.9-177.6-77.8-4.5000114.2E51N49-E51 PolarHBondContact O-N 2.99Å
50I48.2Very low52.9Low132 Ų132115.7 Ų115.768%0.67761%0.609SS**  trans-93.2103.4178.3-58.1174000106.9G48 I52G48-I50 VanDerWaalsContact C-N 3.27Å; G48-I50 PolarHBondContact O-N 3.24Å; I50-I52 PolarHBondContact O-N 3.29Å
51E41.4Very low53.6Low121 Ų121112.3 Ų112.357%0.56559%0.591SS**  trans-65.5105164.7-76-163.9142.800108.4K46 N49 K53K46-E51 IonicContact NZ-OE1 3.38Å; K46-E51 PolarHBondContact NZ-OE1 3.32Å; N49-E51 PolarHBondContact O-N 2.99Å; E51-K53 HydrophobicContact CB-CG 4.5Å; E51-K53 PolarHBondContact O-N 3.27Å
52I50.6Low54.6Low92 Ų92107 Ų10747%0.47256%0.564SS.*  trans-67.188.8168.1-54.9172.2000106.2I50 N54 M58I50-I52 PolarHBondContact O-N 3.29Å; I52-N54 PolarHBondContact O-N 2.87Å; I52-M58 HydrophobicContact CG2-CG 3.96Å; I52-M58 HydrophobicContact CG2-SD 4.17Å
53K42.7Very low56.1Low160 Ų16096 Ų9670%0.69652%0.523SS*.  trans-68.5121.2-179.6-75.9-176.5177.5179.10109.2E51 S55E51-K53 HydrophobicContact CB-CG 4.5Å; E51-K53 PolarHBondContact O-N 3.27Å; K53-S55 PolarHBondContact O-N 2.92Å
54N43.3Very low58.1Low134 Ų13495.2 Ų95.272%0.71751%0.513SS*.  trans-45.6106.6169.2-78.6-22000110.9I52I52-N54 PolarHBondContact O-N 2.87Å
55S41.8Very low59.9Low78 Ų7893 Ų9355%0.54549%0.494SS..SBendtrans-162.5156.4169.2-67.80000106.4K53 K57 M58K53-S55 PolarHBondContact O-N 2.92Å; S55-K57 PolarHBondContact O-N 3.1Å; S55-M58 PolarHBondContact O-N 3.43Å
56Q44.7Very low62.1Low188 Ų18890.1 Ų90.188%0.87947%0.471SS*.G310 helixtrans-50.7-10.1178.9-73.3168.5-43.700115.5M58Q56-M58 PolarHBondContact O-N 3.25Å
57K47.2Very low64.1Low114 Ų11484.2 Ų84.250%0.49645%0.449SS..G310 helixtrans-56.8-13.5163.8-97.2-167.3166.9-148.20115.5S55 D59 E65 E101S55-K57 PolarHBondContact O-N 3.1Å; K57-D59 VanDerWaalsContact C-N 3.32Å; K57-D59 PolarHBondContact O-N 3.17Å; K57-E65 IonicContact NZ-OE1 3.54Å; K57-E101 WeakPolarHBondContact CE-OE1 3.28Å; K57-E101 IonicContact NZ-OE1 3.63Å; K57-E101 PolarHBondContact NZ-OE1 2.93Å
58M53.4Low66.1Low58 Ų5887.1 Ų87.129%0.28646%0.456SS..G310 helixtrans-71.5-19.9179.6-98.9-161.979.900114.5P39 I52 S55 Q56P39-M58 VanDerWaalsContact CG-O 3.31Å; P39-M58 WeakPolarHBondContact CG-O 3.19Å; I52-M58 HydrophobicContact CG2-CG 3.96Å; I52-M58 HydrophobicContact CG2-SD 4.17Å; S55-M58 PolarHBondContact O-N 3.43Å; Q56-M58 PolarHBondContact O-N 3.25Å
59D69.5Low67.2Low105 Ų10587.1 Ų87.156%0.56144%0.439SS*.SBendtrans-91.2-16.7-172.4-68.9-35.4000113.8P39 K57P39-D59 WeakPolarHBondContact CD-O 3.32Å; K57-D59 VanDerWaalsContact C-N 3.32Å; K57-D59 PolarHBondContact O-N 3.17Å
60L85.8Confident69Low36 Ų3681.7 Ų81.719%0.18841%0.406CS..  trans-153.2128.4-169.6-160.881.7000111.6V36 R38 V62 H92V36-L60 HydrophobicContact CG1-CD1 3.36Å; V36-L60 HydrophobicContact CG1-CD2 4.05Å; V36-L60 HydrophobicContact CG1-CG 3.8Å; R38-L60 HydrophobicContact CG-CD1 3.66Å; L60-V62 HydrophobicContact CD2-CG2 4.15Å; L60-V62 HydrophobicContact CG-CG2 4.42Å; L60-H92 HydrophobicContact CD2-CB 3.49Å; L60-H92 VanDerWaalsContact CD2-CB 3.49Å; L60-H92 VanDerWaalsContact CD2-CD2 3.44Å; L60-H92 WeakPolarHBondContact CD2-CD2 3.3Å
61M90.4Very high70.5Confident38 Ų3880.4 Ų80.419%0.18741%0.409CS..EExtended strand (participates in β ladder)trans-118145.5172.9-64.4170.4-173.800108.8V36 G37 E65 A66 L69 L73V36-M61 CarbonylContact C-O 3.58Å; G37-M61 PolarHBondContact N-O 3.35Å; G37-M61 PolarHBondContact O-N 3.29Å; M61-E65 HydrophobicContact CB-CB 4.47Å; M61-A66 HydrophobicContact CB-CB 3.65Å; M61-A66 WeakPolarHBondContact O-CB 3.43Å; M61-L69 HydrophobicContact CE-CD1 3.76Å; M61-L69 HydrophobicContact SD-CB 4.19Å; M61-L69 HydrophobicContact SD-CD1 3.54Å; M61-L69 VanDerWaalsContact SD-CD1 3.54Å; M61-L69 HydrophobicContact SD-CG 4.49Å; M61-L73 HydrophobicContact CB-CD1 4.05Å; M61-L73 HydrophobicContact CE-CD2 4.48Å; M61-L73 HydrophobicContact CG-CD1 4.44Å; M61-L73 HydrophobicContact SD-CD1 3.64Å; M61-L73 HydrophobicContact SD-CD2 3.77Å; M61-L73 HydrophobicContact SD-CG 4.25Å
62V92.9Very high72.4Confident10 Ų1079.8 Ų79.86%0.06141%0.407CS..EExtended strand (participates in β ladder)trans-134.8146.7-174.9-176.30000109.7L35 V36 L60 D64 H92 L93 Y96L35-V62 WeakPolarHBondContact O-CA 3.3Å; V36-V62 HydrophobicContact CG1-CG2 4.46Å; V36-V62 HydrophobicContact CG2-CG1 4.47Å; V36-V62 HydrophobicContact CG2-CG2 4.35Å; L60-V62 HydrophobicContact CD2-CG2 4.15Å; L60-V62 HydrophobicContact CG-CG2 4.42Å; V62-D64 PolarHBondContact O-N 3.31Å; V62-H92 HydrophobicContact CG2-CB 4.45Å; V62-L93 HydrophobicContact CG1-CD1 3.6Å; V62-Y96 HydrophobicContact CB-CD1 4.35Å; V62-Y96 HydrophobicContact CB-CD2 3.83Å; V62-Y96 HydrophobicContact CB-CE2 4.36Å; V62-Y96 HydrophobicContact CB-CG 3.8Å; V62-Y96 HydrophobicContact CG1-CD1 3.8Å; V62-Y96 HydrophobicContact CG1-CD2 4.16Å; V62-Y96 HydrophobicContact CG1-CE1 4.48Å; V62-Y96 HydrophobicContact CG1-CG 3.6Å; V62-Y96 WeakPolarHBondContact O-CE2 3.31Å
63G92.4Very high74.1Confident0 Ų075.9 Ų75.90%039%0.387CS..THydrogen-bonded Turntrans65.7-126.6172.400000113.5P33 L35 A66 S67P33-G63 WeakPolarHBondContact O-CA 3.27Å; L35-G63 WeakPolarHBondContact CD1-O 3.21Å; L35-G63 PolarHBondContact O-N 2.92Å; G63-A66 PolarHBondContact O-N 3.11Å; G63-S67 PolarHBondContact O-N 3.22Å
64D90.1Very high76.2Confident55 Ų5574.2 Ų74.229%0.29438%0.382SS..Hα-helixtrans-65-42-173.2-57.6-44.4000111.6P33 V62 A66 S67 E68 Y96 K102P33-D64 WeakPolarHBondContact CD-OD1 3.39Å; V62-D64 PolarHBondContact O-N 3.31Å; D64-A66 VanDerWaalsContact C-N 3.32Å; D64-A66 PolarHBondContact O-N 3.17Å; D64-S67 WeakPolarHBondContact O-CA 3.34Å; D64-S67 WeakPolarHBondContact O-CB 3.47Å; D64-S67 PolarHBondContact O-N 2.92Å; D64-E68 WeakPolarHBondContact O-CG 3.3Å; D64-E68 PolarHBondContact O-N 2.95Å; D64-Y96 PolarHBondContact N-OH 2.86Å; D64-K102 IonicContact OD2-NZ 2.8Å; D64-K102 PolarHBondContact OD2-NZ 2.88Å
65E87.9Confident78.3Confident72 Ų7269.2 Ų69.234%0.33636%0.356SS..Hα-helixtrans-59.2-43.9179.2-63.5-172.1164.600111.3K57 M61 S67 E68 L69K57-E65 IonicContact NZ-OE1 3.54Å; M61-E65 HydrophobicContact CB-CB 4.47Å; E65-S67 VanDerWaalsContact C-N 3.32Å; E65-E68 PolarHBondContact O-N 3.18Å; E65-L69 PolarHBondContact O-N 3.01Å; E65-L69 VanDerWaalsContact O-N 3.12Å
66A88.3Confident80.6Confident0 Ų068.1 Ų68.10%034%0.344CS..Hα-helixtrans-76.5-20178.100000113.3L35 M61 G63 D64 R70 L73L35-A66 HydrophobicContact CD1-CB 3.08Å; M61-A66 HydrophobicContact CB-CB 3.65Å; M61-A66 WeakPolarHBondContact O-CB 3.43Å; G63-A66 PolarHBondContact O-N 3.11Å; D64-A66 VanDerWaalsContact C-N 3.32Å; D64-A66 PolarHBondContact O-N 3.17Å; A66-R70 WeakPolarHBondContact O-CA 3.49Å; A66-R70 PolarHBondContact O-N 3.18Å; A66-L73 HydrophobicContact CB-CD1 3.77Å
67S86.7Confident82.8Confident30 Ų3062.3 Ų62.321%0.2131%0.314CS..Hα-helixtrans-74.7-42.3171.3-165.20000111.4G63 D64 E65 R70G63-S67 PolarHBondContact O-N 3.22Å; D64-S67 WeakPolarHBondContact O-CA 3.34Å; D64-S67 WeakPolarHBondContact O-CB 3.47Å; D64-S67 PolarHBondContact O-N 2.92Å; E65-S67 VanDerWaalsContact C-N 3.32Å; S67-R70 WeakPolarHBondContact O-CB 3.49Å; S67-R70 PolarHBondContact O-N 3.3Å
68E85.4Confident85Confident163 Ų16356.9 Ų56.976%0.76229%0.291SS*.Hα-helixtrans-64.2-42177.2-72.6-178.9179.800111.8D64 E65D64-E68 WeakPolarHBondContact O-CG 3.3Å; D64-E68 PolarHBondContact O-N 2.95Å; E65-E68 PolarHBondContact O-N 3.18Å
69L84.3Confident86.8Confident69 Ų6954.2 Ų54.236%0.36128%0.278SS..THydrogen-bonded Turntrans-95.817-178.1-62.8174.2000113.4M61 E65 S71 M72 L73M61-L69 HydrophobicContact CE-CD1 3.76Å; M61-L69 HydrophobicContact SD-CB 4.19Å; M61-L69 HydrophobicContact SD-CD1 3.54Å; M61-L69 VanDerWaalsContact SD-CD1 3.54Å; M61-L69 HydrophobicContact SD-CG 4.49Å; E65-L69 PolarHBondContact O-N 3.01Å; E65-L69 VanDerWaalsContact O-N 3.12Å; L69-S71 PolarHBondContact O-N 3.3Å; L69-M72 HydrophobicContact CD2-SD 4.46Å; L69-M72 PolarHBondContact O-N 2.68Å; L69-L73 HydrophobicContact CB-CD1 3.99Å; L69-L73 HydrophobicContact CB-CG 4.33Å; L69-L73 WeakPolarHBondContact O-CG 3.29Å; L69-L73 PolarHBondContact O-N 3.28Å
70R82.3Confident87.7Confident61 Ų6153.9 Ų53.923%0.2327%0.273CS..G310 helixtrans-49.8-35.1-174.2-178177.7-168.589.612.6114.3A66 S67 M72 L73 V75 Y77A66-R70 WeakPolarHBondContact O-CA 3.49Å; A66-R70 PolarHBondContact O-N 3.18Å; S67-R70 WeakPolarHBondContact O-CB 3.49Å; S67-R70 PolarHBondContact O-N 3.3Å; R70-M72 PolarHBondContact O-N 2.99Å; R70-L73 PolarHBondContact O-N 2.94Å; R70-V75 HydrophobicContact CG-CG2 4.06Å; R70-Y77 PolarHBondContact NH1-OH 3.31Å; R70-Y77 PolarHBondContact NH2-OH 2.86Å; R70-Y77 VanDerWaalsContact NH2-OH 3.1Å
71S79.8Confident87.8Confident105 Ų10554.2 Ų54.273%0.73428%0.275SS*.G310 helixtrans-68.8-20-179.456.80000114.1L69L69-S71 PolarHBondContact O-N 3.3Å
72M81.8Confident87.5Confident107 Ų10752.9 Ų52.953%0.52727%0.271SS..G310 helixtrans-104.3-2.9-178.3-58.5-179.5-172.900112.7I40 L69 R70I40-M72 PolarHBondContact N-O 3.26Å; L69-M72 HydrophobicContact CD2-SD 4.46Å; L69-M72 PolarHBondContact O-N 2.68Å; R70-M72 PolarHBondContact O-N 2.99Å
73L84.8Confident87.3Confident11 Ų1153.6 Ų53.66%0.05827%0.274CS..EExtended strand (participates in β ladder)trans-118.6142.5-171.8-57.8174.8000111.1R38 P39 M61 A66 L69 R70 V75R38-L73 CarbonylContact O-C 3.33Å; R38-L73 WeakPolarHBondContact O-CA 3.43Å; P39-L73 HydrophobicContact CB-CD2 4.23Å; P39-L73 HydrophobicContact CG-CD2 3.95Å; M61-L73 HydrophobicContact CB-CD1 4.05Å; M61-L73 HydrophobicContact CE-CD2 4.48Å; M61-L73 HydrophobicContact CG-CD1 4.44Å; M61-L73 HydrophobicContact SD-CD1 3.64Å; M61-L73 HydrophobicContact SD-CD2 3.77Å; M61-L73 HydrophobicContact SD-CG 4.25Å; A66-L73 HydrophobicContact CB-CD1 3.77Å; L69-L73 HydrophobicContact CB-CD1 3.99Å; L69-L73 HydrophobicContact CB-CG 4.33Å; L69-L73 WeakPolarHBondContact O-CG 3.29Å; L69-L73 PolarHBondContact O-N 3.28Å; R70-L73 PolarHBondContact O-N 2.94Å; L73-V75 HydrophobicContact CB-CG2 3.94Å; L73-V75 PolarHBondContact O-N 3.49Å
74E86.7Confident87.4Confident125 Ų12554.4 Ų54.458%0.58428%0.279SS*.EExtended strand (participates in β ladder)trans-78.2106.9158.6-172.4175.7-166.800107.8G37 R38 I40G37-E74 WeakPolarHBondContact CA-O 3.35Å; R38-E74 PolarHBondContact N-O 3.22Å; R38-E74 PolarHBondContact O-N 3.37Å; I40-E74 HydrophobicContact CG1-CB 4.27Å
75V87.3Confident87.5Confident28 Ų2859.3 Ų59.317%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-98.2123.4-173.2179.90000111.5L35 R70 L73L35-V75 HydrophobicContact CB-CG1 3.84Å; L35-V75 HydrophobicContact CD1-CG1 4.15Å; L35-V75 HydrophobicContact CG-CG1 4.42Å; R70-V75 HydrophobicContact CG-CG2 4.06Å; L73-V75 HydrophobicContact CB-CG2 3.94Å; L73-V75 PolarHBondContact O-N 3.49Å
76N90.7Very high87.8Confident56 Ų5658.4 Ų58.430%0.29929%0.291SS..EExtended strand (participates in β ladder)trans-108.5147.6174.1-67.3-20.4000111.2V36 R38 D89V36-N76 PolarHBondContact N-O 3.05Å; V36-N76 PolarHBondContact O-N 3.14Å; R38-N76 PolarHBondContact NH1-ND2 3.17Å; N76-D89 WeakPolarHBondContact CB-OD2 3.49Å
77Y91.2Very high88.1Confident65 Ų6561 Ų6126%0.25530%0.301SS..  trans-108.2116.3169.7-64-86.6000108.2A34 L35 R70 M79A34-Y77 WeakPolarHBondContact O-CD1 3.41Å; L35-Y77 HydrophobicContact CB-CD1 4.23Å; L35-Y77 HydrophobicContact CB-CE1 3.99Å; R70-Y77 PolarHBondContact NH1-OH 3.31Å; R70-Y77 PolarHBondContact NH2-OH 2.86Å; R70-Y77 VanDerWaalsContact NH2-OH 3.1Å; Y77-M79 PolarHBondContact O-N 3.41Å
78P92.7Very high88.4Confident0 Ų063.9 Ų63.90%031%0.314CS..SBendtrans-66.7-22.4-179.524.3-31.7000112.7A34 R85 N86 D89 M90 L93A34-P78 WeakPolarHBondContact O-CD 3.21Å; P78-R85 PolarHBondContact O-N 2.74Å; P78-N86 PolarHBondContact O-N 2.99Å; P78-D89 HydrophobicContact CB-CB 3.79Å; P78-D89 HydrophobicContact CG-CB 4.5Å; P78-M90 HydrophobicContact CB-CB 4.14Å; P78-M90 HydrophobicContact CB-SD 4.1Å; P78-M90 HydrophobicContact CG-SD 4.12Å; P78-L93 HydrophobicContact CG-CD2 3.83Å
79M91.6Very high88.9Confident3 Ų356.2 Ų56.22%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-112.7136.5-180-66.7179.7-75.100111.1N13 G14 T15 A34 Y77 I83 V84 M90 L93N13-M79 HydrophobicContact CB-CE 4.14Å; N13-M79 HydrophobicContact CB-SD 3.78Å; G14-M79 WeakPolarHBondContact O-CE 2.92Å; T15-M79 WeakPolarHBondContact CG2-O 3.45Å; A34-M79 HydrophobicContact CB-CE 3.69Å; Y77-M79 PolarHBondContact O-N 3.41Å; M79-I83 WeakPolarHBondContact CA-O 3.05Å; M79-V84 HydrophobicContact CG-CG2 4.06Å; M79-M90 HydrophobicContact CE-CE 4.3Å; M79-M90 HydrophobicContact CE-SD 4.37Å; M79-M90 HydrophobicContact CG-SD 4.04Å; M79-M90 HydrophobicContact SD-CE 4.21Å; M79-M90 HydrophobicContact SD-SD 4.24Å; M79-L93 HydrophobicContact CE-CD2 4.14Å
80E88.7Confident89.4Confident97 Ų9752.9 Ų52.945%0.45326%0.261SS..EExtended strand (participates in β ladder)trans-128.5123.9173.8-172.7-174.3-155.700108.5G82 I83 R85E80-G82 PolarHBondContact O-N 2.91Å; E80-G82 VanDerWaalsContact O-N 3.13Å; E80-I83 PolarHBondContact N-O 2.91Å; E80-I83 PolarHBondContact O-N 2.93Å; E80-R85 HydrophobicContact CB-CG 3.75Å; E80-R85 IonicContact OE2-CZ 2.83Å; E80-R85 IonicContact OE2-NE 3.84Å; E80-R85 PolarHBondContact OE2-NE 3.47Å; E80-R85 IonicContact OE2-NH2 3.71Å
81N86.8Confident90Very high43 Ų4353.3 Ų53.323%0.2326%0.264CS..THydrogen-bonded Turntrans49.140.8-179.8-54-8.5000113.5I83 G167 V168 R186N81-I83 VanDerWaalsContact C-N 3.3Å; N81-I83 PolarHBondContact O-N 3.19Å; N81-G167 PolarHBondContact OD1-O 3.35Å; N81-G167 VanDerWaalsContact OD1-O 3.08Å; N81-V168 HydrophobicContact CB-CB 4.24Å; N81-R186 PolarHBondContact ND2-NH2 2.99Å; N81-R186 VanDerWaalsContact ND2-NH2 3.19Å
82G84.8Confident90.7Very high11 Ų1151.6 Ų51.611%0.11324%0.244CC..THydrogen-bonded Turntrans86.3-10.5178.900000114.7T15 E80 P117T15-G82 WeakPolarHBondContact OG1-CA 3.28Å; T15-G82 PolarHBondContact OG1-N 3.49Å; E80-G82 PolarHBondContact O-N 2.91Å; E80-G82 VanDerWaalsContact O-N 3.13Å; G82-P117 WeakPolarHBondContact O-CG 3.25Å
83I90.1Very high91.4Very high25 Ų2546.5 Ų46.513%0.12822%0.219CC..EExtended strand (participates in β ladder)trans-103.2133.1-175-62.2175.8000110M79 E80 N81 R85 N124M79-I83 WeakPolarHBondContact CA-O 3.05Å; E80-I83 PolarHBondContact N-O 2.91Å; E80-I83 PolarHBondContact O-N 2.93Å; N81-I83 VanDerWaalsContact C-N 3.3Å; N81-I83 PolarHBondContact O-N 3.19Å; I83-R85 PolarHBondContact O-N 2.75Å; I83-N124 WeakPolarHBondContact CG2-ND2 3.28Å
84V92.6Very high91.9Very high17 Ų1746 Ų4610%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-67.9122.9173.3-1760000109.5M79 W87 M90M79-V84 HydrophobicContact CG-CG2 4.06Å; V84-W87 HydrophobicContact CB-CH2 4.09Å; V84-W87 HydrophobicContact CB-CZ2 4.05Å; V84-W87 HydrophobicContact CB-CZ3 4.41Å; V84-W87 HydrophobicContact CG1-CD2 3.8Å; V84-W87 HydrophobicContact CG1-CE3 3.9Å; V84-W87 HydrophobicContact CG1-CG 4.32Å; V84-W87 HydrophobicContact CG1-CH2 4.21Å; V84-W87 HydrophobicContact CG1-CZ2 4.13Å; V84-W87 HydrophobicContact CG1-CZ3 4.12Å; V84-W87 HydrophobicContact CG2-CH2 4.32Å; V84-W87 HydrophobicContact CG2-CZ3 4.48Å; V84-M90 HydrophobicContact CG1-CB 3.9Å; V84-M90 HydrophobicContact CG1-CG 4.03Å; V84-M90 HydrophobicContact CG1-SD 4.49Å; V84-M90 HydrophobicContact CG2-CG 4.28Å; V84-M90 HydrophobicContact CG2-SD 4.17Å
85R92.6Very high92.3Very high157 Ų15743.6 Ų43.659%0.59221%0.208SC*.  trans-104.5-39.7176.9-64.6-59.9-163-171-1.5112.2P78 E80 I83P78-R85 PolarHBondContact O-N 2.74Å; E80-R85 HydrophobicContact CB-CG 3.75Å; E80-R85 IonicContact OE2-CZ 2.83Å; E80-R85 IonicContact OE2-NE 3.84Å; E80-R85 PolarHBondContact OE2-NE 3.47Å; E80-R85 IonicContact OE2-NH2 3.71Å; I83-R85 PolarHBondContact O-N 2.75Å
86N94.3Very high92.7Very high54 Ų5443.2 Ų43.229%0.28920%0.204SC..  trans-117.9105.5179.7-172.9-11.9000110.4P78 D88 D89 M90P78-N86 PolarHBondContact O-N 2.99Å; N86-D88 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact OD1-N 2.92Å; N86-D89 HydrophobicContact CB-CB 4.14Å; N86-D89 PolarHBondContact ND2-OD2 2.84Å; N86-D89 PolarHBondContact OD1-N 2.75Å; N86-M90 WeakPolarHBondContact O-CB 3.26Å; N86-M90 PolarHBondContact O-N 3.26Å
87W94.3Very high93Very high53 Ų5340.6 Ų40.620%0.20119%0.189CC..Hα-helixtrans-72.3-25.7-179.4-68.298.6000113.5V84 M90 K91 W94 N124 K127 I128V84-W87 HydrophobicContact CB-CH2 4.09Å; V84-W87 HydrophobicContact CB-CZ2 4.05Å; V84-W87 HydrophobicContact CB-CZ3 4.41Å; V84-W87 HydrophobicContact CG1-CD2 3.8Å; V84-W87 HydrophobicContact CG1-CE3 3.9Å; V84-W87 HydrophobicContact CG1-CG 4.32Å; V84-W87 HydrophobicContact CG1-CH2 4.21Å; V84-W87 HydrophobicContact CG1-CZ2 4.13Å; V84-W87 HydrophobicContact CG1-CZ3 4.12Å; V84-W87 HydrophobicContact CG2-CH2 4.32Å; V84-W87 HydrophobicContact CG2-CZ3 4.48Å; W87-M90 PolarHBondContact O-N 3.19Å; W87-K91 WeakPolarHBondContact O-CE 3.4Å; W87-K91 WeakPolarHBondContact O-CG 3.42Å; W87-K91 PolarHBondContact O-N 2.98Å; W87-W94 HydrophobicContact CZ3-CH2 4.08Å; W87-W94 HydrophobicContact CZ3-CZ3 4.46Å; W87-N124 HydrophobicContact CH2-CB 4.37Å; W87-N124 WeakPolarHBondContact CH2-O 3.43Å; W87-N124 HydrophobicContact CZ2-CB 4.12Å; W87-K127 HydrophobicContact CD2-CG 3.66Å; W87-K127 HydrophobicContact CE3-CG 3.74Å; W87-K127 HydrophobicContact CG-CG 4.35Å; W87-K127 HydrophobicContact CH2-CB 3.72Å; W87-K127 HydrophobicContact CH2-CG 3.87Å; W87-K127 HydrophobicContact CZ2-CB 3.71Å; W87-K127 HydrophobicContact CZ2-CG 3.77Å; W87-K127 HydrophobicContact CZ3-CB 4.12Å; W87-K127 HydrophobicContact CZ3-CG 3.83Å; W87-I128 HydrophobicContact CH2-CG1 3.8Å; W87-I128 HydrophobicContact CZ3-CG1 3.91Å
88D94.2Very high93.2Very high92 Ų9237.9 Ų37.949%0.49218%0.179SC..Hα-helixtrans-71.8-45.9176.9-68-39.5000110.7N86 M90 K91 H92N86-D88 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact OD1-N 2.92Å; D88-M90 VanDerWaalsContact C-N 3.28Å; D88-M90 PolarHBondContact O-N 3.01Å; D88-K91 PolarHBondContact O-N 3.06Å; D88-K91 VanDerWaalsContact OD1-CE 3.26Å; D88-K91 WeakPolarHBondContact OD1-CE 3.49Å; D88-K91 IonicContact OD1-NZ 3.59Å; D88-K91 PolarHBondContact OD1-NZ 3.14Å; D88-H92 PolarHBondContact O-CD2 2.92Å; D88-H92 PolarHBondContact O-N 3.21Å
89D94.7Very high93.2Very high1 Ų138.8 Ų38.81%0.00519%0.188CC..Hα-helixtrans-64.2-34.9172.3-73.8-17.5000111.6V36 R38 N76 P78 N86 H92 L93V36-D89 HydrophobicContact CB-CB 4.4Å; V36-D89 HydrophobicContact CG2-CB 4.11Å; R38-D89 IonicContact CZ-OD1 2.81Å; R38-D89 IonicContact NH1-OD1 2.95Å; R38-D89 PolarHBondContact NH1-OD1 3.46Å; R38-D89 IonicContact NH1-OD2 3.94Å; R38-D89 IonicContact NH2-OD1 2.63Å; R38-D89 PolarHBondContact NH2-OD1 3.23Å; N76-D89 WeakPolarHBondContact CB-OD2 3.49Å; P78-D89 HydrophobicContact CB-CB 3.79Å; P78-D89 HydrophobicContact CG-CB 4.5Å; N86-D89 HydrophobicContact CB-CB 4.14Å; N86-D89 PolarHBondContact ND2-OD2 2.84Å; N86-D89 PolarHBondContact OD1-N 2.75Å; D89-H92 PolarHBondContact O-N 3.34Å; D89-L93 PolarHBondContact O-N 3.1Å
90M95.7Very high93.2Very high0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-65.8-39176.7-164.868.4-16000112.5N13 P78 M79 V84 N86 W87 D88 L93 W94N13-M90 HydrophobicContact CB-CE 4.01Å; N13-M90 WeakPolarHBondContact OD1-CE 3.47Å; P78-M90 HydrophobicContact CB-CB 4.14Å; P78-M90 HydrophobicContact CB-SD 4.1Å; P78-M90 HydrophobicContact CG-SD 4.12Å; M79-M90 HydrophobicContact CE-CE 4.3Å; M79-M90 HydrophobicContact CE-SD 4.37Å; M79-M90 HydrophobicContact CG-SD 4.04Å; M79-M90 HydrophobicContact SD-CE 4.21Å; M79-M90 HydrophobicContact SD-SD 4.24Å; V84-M90 HydrophobicContact CG1-CB 3.9Å; V84-M90 HydrophobicContact CG1-CG 4.03Å; V84-M90 HydrophobicContact CG1-SD 4.49Å; V84-M90 HydrophobicContact CG2-CG 4.28Å; V84-M90 HydrophobicContact CG2-SD 4.17Å; N86-M90 WeakPolarHBondContact O-CB 3.26Å; N86-M90 PolarHBondContact O-N 3.26Å; W87-M90 PolarHBondContact O-N 3.19Å; D88-M90 VanDerWaalsContact C-N 3.28Å; D88-M90 PolarHBondContact O-N 3.01Å; M90-L93 HydrophobicContact CE-CD2 4.17Å; M90-L93 WeakPolarHBondContact O-CB 3.46Å; M90-L93 PolarHBondContact O-N 3.46Å; M90-L93 HydrophobicContact SD-CD2 4.08Å; M90-W94 HydrophobicContact CE-CD2 4.16Å; M90-W94 HydrophobicContact CE-CH2 4.36Å; M90-W94 HydrophobicContact CE-CZ2 3.51Å; M90-W94 VanDerWaalsContact CE-NE1 3.33Å; M90-W94 HydrophobicContact CG-CD2 4.12Å; M90-W94 HydrophobicContact CG-CE3 4.01Å; M90-W94 HydrophobicContact CG-CH2 3.74Å; M90-W94 HydrophobicContact CG-CZ2 3.84Å; M90-W94 HydrophobicContact CG-CZ3 3.82Å; M90-W94 PolarHBondContact O-N 3.37Å
91K95.4Very high93.3Very high69 Ų6942.9 Ų42.930%0.322%0.217SC..Hα-helixtrans-60.9-46.2173.5-77.3177.7-64.4-179.80111W87 D88 L93 W94 D95 V131 Y136W87-K91 WeakPolarHBondContact O-CE 3.4Å; W87-K91 WeakPolarHBondContact O-CG 3.42Å; W87-K91 PolarHBondContact O-N 2.98Å; D88-K91 PolarHBondContact O-N 3.06Å; D88-K91 VanDerWaalsContact OD1-CE 3.26Å; D88-K91 WeakPolarHBondContact OD1-CE 3.49Å; D88-K91 IonicContact OD1-NZ 3.59Å; D88-K91 PolarHBondContact OD1-NZ 3.14Å; K91-L93 VanDerWaalsContact C-N 3.27Å; K91-L93 PolarHBondContact O-N 3.48Å; K91-W94 CarbonylContact O-C 3.56Å; K91-W94 PolarHBondContact O-N 2.55Å; K91-D95 PolarHBondContact O-N 3.28Å; K91-V131 HydrophobicContact CG-CG1 4.25Å; K91-Y136 PolarHBondContact O-OH 3.26Å
92H94.8Very high93.6Very high69 Ų6942.4 Ų42.432%0.31921%0.213SC..Hα-helixtrans-60.9-37.1176.1-66.8-50.7000113L60 V62 D88 D89 D95 Y96L60-H92 HydrophobicContact CD2-CB 3.49Å; L60-H92 VanDerWaalsContact CD2-CB 3.49Å; L60-H92 VanDerWaalsContact CD2-CD2 3.44Å; L60-H92 WeakPolarHBondContact CD2-CD2 3.3Å; V62-H92 HydrophobicContact CG2-CB 4.45Å; D88-H92 PolarHBondContact O-CD2 2.92Å; D88-H92 PolarHBondContact O-N 3.21Å; D89-H92 PolarHBondContact O-N 3.34Å; H92-D95 IonicContact ND1-OD2 2.81Å; H92-D95 PolarHBondContact O-N 3.4Å; H92-Y96 WeakPolarHBondContact O-CB 3.37Å; H92-Y96 PolarHBondContact O-N 3.23Å
93L95.5Very high94.1Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-63.6-40.1173.6-171.863.8000112.1V18 F32 A34 V62 P78 M79 D89 M90 K91 T97V18-L93 HydrophobicContact CG2-CD1 4.16Å; V18-L93 HydrophobicContact CG2-CD2 3.75Å; V18-L93 HydrophobicContact CG2-CG 4.07Å; F32-L93 HydrophobicContact CE2-CD1 3.83Å; A34-L93 HydrophobicContact CB-CD2 4.02Å; V62-L93 HydrophobicContact CG1-CD1 3.6Å; P78-L93 HydrophobicContact CG-CD2 3.83Å; M79-L93 HydrophobicContact CE-CD2 4.14Å; D89-L93 PolarHBondContact O-N 3.1Å; M90-L93 HydrophobicContact CE-CD2 4.17Å; M90-L93 WeakPolarHBondContact O-CB 3.46Å; M90-L93 PolarHBondContact O-N 3.46Å; M90-L93 HydrophobicContact SD-CD2 4.08Å; K91-L93 VanDerWaalsContact C-N 3.27Å; K91-L93 PolarHBondContact O-N 3.48Å; L93-T97 PolarHBondContact O-N 3.16Å; L93-T97 PolarHBondContact O-OG1 3.47Å
94W96.3Very high94.3Very high1 Ų146.4 Ų46.40%0.00423%0.231CC..Hα-helixtrans-71.4-37.7174.4-75-34.4000113.5N13 W87 M90 K91 Y96 T97 F98 I128 V131 M132 Y136N13-W94 PolarHBondContact OD1-NE1 3.23Å; N13-W94 VanDerWaalsContact OD1-NE1 3.11Å; W87-W94 HydrophobicContact CZ3-CH2 4.08Å; W87-W94 HydrophobicContact CZ3-CZ3 4.46Å; M90-W94 HydrophobicContact CE-CD2 4.16Å; M90-W94 HydrophobicContact CE-CH2 4.36Å; M90-W94 HydrophobicContact CE-CZ2 3.51Å; M90-W94 VanDerWaalsContact CE-NE1 3.33Å; M90-W94 HydrophobicContact CG-CD2 4.12Å; M90-W94 HydrophobicContact CG-CE3 4.01Å; M90-W94 HydrophobicContact CG-CH2 3.74Å; M90-W94 HydrophobicContact CG-CZ2 3.84Å; M90-W94 HydrophobicContact CG-CZ3 3.82Å; M90-W94 PolarHBondContact O-N 3.37Å; K91-W94 CarbonylContact O-C 3.56Å; K91-W94 PolarHBondContact O-N 2.55Å; W94-Y96 VanDerWaalsContact C-N 3.27Å; W94-Y96 PolarHBondContact O-N 2.83Å; W94-T97 WeakPolarHBondContact O-CB 3.45Å; W94-T97 PolarHBondContact O-N 2.84Å; W94-F98 HydrophobicContact CB-CD2 4.18Å; W94-F98 HydrophobicContact CB-CE2 3.78Å; W94-F98 HydrophobicContact CB-CZ 4.46Å; W94-F98 HydrophobicContact CG-CE2 4.06Å; W94-F98 HydrophobicContact CG-CZ 4.37Å; W94-F98 VanDerWaalsContact O-CD2 3.26Å; W94-F98 WeakPolarHBondContact O-CD2 3.43Å; W94-F98 WeakPolarHBondContact O-CG 3.42Å; W94-F98 PolarHBondContact O-N 2.83Å; W94-I128 HydrophobicContact CH2-CG1 4.26Å; W94-V131 HydrophobicContact CE3-CG1 3.91Å; W94-V131 HydrophobicContact CZ3-CB 4.21Å; W94-V131 HydrophobicContact CZ3-CG1 3.67Å; W94-M132 HydrophobicContact CD2-CE 3.5Å; W94-M132 HydrophobicContact CE3-CE 3.75Å; W94-M132 HydrophobicContact CG-CE 4.13Å; W94-M132 HydrophobicContact CH2-CE 3.73Å; W94-M132 HydrophobicContact CZ2-CE 3.48Å; W94-M132 VanDerWaalsContact CZ2-CE 3.48Å; W94-M132 HydrophobicContact CZ3-CE 3.87Å; W94-Y136 HydrophobicContact CB-CE2 4Å; W94-Y136 WeakPolarHBondContact CB-OH 3.49Å; W94-Y136 HydrophobicContact CE3-CE2 4.05Å
95D95.3Very high94.3Very high74 Ų7446.7 Ų46.740%0.39623%0.232SC..Hα-helixtrans-58.3-43.5173-65.2-22.7000110.4K91 H92 G99 Y136K91-D95 PolarHBondContact O-N 3.28Å; H92-D95 IonicContact ND1-OD2 2.81Å; H92-D95 PolarHBondContact O-N 3.4Å; D95-G99 WeakPolarHBondContact O-CA 3.36Å; D95-G99 PolarHBondContact O-N 2.97Å; D95-Y136 PolarHBondContact N-OH 3.35Å; D95-Y136 WeakPolarHBondContact OD1-CE1 3.37Å; D95-Y136 VanDerWaalsContact OD1-CZ 3.3Å; D95-Y136 PolarHBondContact OD1-OH 3.12Å
96Y95.1Very high94.3Very high21 Ų2144.8 Ų44.88%0.08223%0.23CC..Hα-helixtrans-64.1-39.9173.4-179.4-100.6000112.6F32 V62 D64 H92 W94 E101 K102F32-Y96 HydrophobicContact CD1-CE1 4.27Å; F32-Y96 AromaticContact CD2-CD1 3.97Å; F32-Y96 HydrophobicContact CD2-CD1 3.97Å; F32-Y96 AromaticContact CD2-CE1 3.6Å; F32-Y96 HydrophobicContact CD2-CE1 3.6Å; F32-Y96 HydrophobicContact CE1-CD1 4.48Å; F32-Y96 HydrophobicContact CE1-CE1 4.35Å; F32-Y96 AromaticContact CE2-CD1 3.56Å; F32-Y96 HydrophobicContact CE2-CD1 3.56Å; F32-Y96 AromaticContact CE2-CE1 3.69Å; F32-Y96 HydrophobicContact CE2-CE1 3.69Å; F32-Y96 AromaticContact CG-CE1 3.9Å; F32-Y96 HydrophobicContact CG-CE1 3.9Å; F32-Y96 AromaticContact CZ-CD1 3.85Å; F32-Y96 HydrophobicContact CZ-CD1 3.85Å; F32-Y96 HydrophobicContact CZ-CE1 4.07Å; V62-Y96 HydrophobicContact CB-CD1 4.35Å; V62-Y96 HydrophobicContact CB-CD2 3.83Å; V62-Y96 HydrophobicContact CB-CE2 4.36Å; V62-Y96 HydrophobicContact CB-CG 3.8Å; V62-Y96 HydrophobicContact CG1-CD1 3.8Å; V62-Y96 HydrophobicContact CG1-CD2 4.16Å; V62-Y96 HydrophobicContact CG1-CE1 4.48Å; V62-Y96 HydrophobicContact CG1-CG 3.6Å; V62-Y96 WeakPolarHBondContact O-CE2 3.31Å; D64-Y96 PolarHBondContact N-OH 2.86Å; H92-Y96 WeakPolarHBondContact O-CB 3.37Å; H92-Y96 PolarHBondContact O-N 3.23Å; W94-Y96 VanDerWaalsContact C-N 3.27Å; W94-Y96 PolarHBondContact O-N 2.83Å; Y96-E101 WeakPolarHBondContact CD2-OE2 3.18Å; Y96-E101 HydrophobicContact CE2-CB 4.37Å; Y96-E101 WeakPolarHBondContact CE2-OE2 3.38Å; Y96-K102 HydrophobicContact CD1-CG 4.05Å; Y96-K102 HydrophobicContact CE1-CD 4.11Å; Y96-K102 HydrophobicContact CE1-CG 3.8Å; Y96-K102 WeakPolarHBondContact O-CG 3.45Å; Y96-K102 WeakPolarHBondContact OH-CE 3.32Å; Y96-K102 PolarHBondContact OH-NZ 2.95Å
97T95.8Very high94.3Very high0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-66.1-47.2-179.7-53.50000112.1V18 C20 F32 L93 W94 K102 L103V18-T97 HydrophobicContact CG1-CG2 4.48Å; C20-T97 HydrophobicContact CB-CG2 3.96Å; F32-T97 HydrophobicContact CZ-CG2 4.27Å; F32-T97 WeakPolarHBondContact CZ-OG1 3.32Å; L93-T97 PolarHBondContact O-N 3.16Å; L93-T97 PolarHBondContact O-OG1 3.47Å; W94-T97 WeakPolarHBondContact O-CB 3.45Å; W94-T97 PolarHBondContact O-N 2.84Å; T97-K102 WeakPolarHBondContact O-CB 3.2Å; T97-L103 HydrophobicContact CG2-CD1 4.25Å; T97-L103 WeakPolarHBondContact O-CB 3.3Å; T97-L103 WeakPolarHBondContact O-CG 3.38Å; T97-L103 PolarHBondContact O-N 2.89Å
98F95.8Very high94.1Very high9 Ų947 Ų474%0.03924%0.238CC..Hα-helixtrans-88.6-21.4-175.9-52.9-38.5000112.9W94 L103 N104 I105 I112 M132 Y136 F138W94-F98 HydrophobicContact CB-CD2 4.18Å; W94-F98 HydrophobicContact CB-CE2 3.78Å; W94-F98 HydrophobicContact CB-CZ 4.46Å; W94-F98 HydrophobicContact CG-CE2 4.06Å; W94-F98 HydrophobicContact CG-CZ 4.37Å; W94-F98 VanDerWaalsContact O-CD2 3.26Å; W94-F98 WeakPolarHBondContact O-CD2 3.43Å; W94-F98 WeakPolarHBondContact O-CG 3.42Å; W94-F98 PolarHBondContact O-N 2.83Å; F98-L103 HydrophobicContact CD1-CD1 4.25Å; F98-N104 PolarHBondContact O-N 3.34Å; F98-I105 HydrophobicContact CB-CD1 4.25Å; F98-I105 HydrophobicContact CB-CG1 4.02Å; F98-I105 HydrophobicContact CD1-CD1 3.9Å; F98-I105 HydrophobicContact CG-CD1 4.35Å; F98-I105 WeakPolarHBondContact O-CG1 3.48Å; F98-I105 PolarHBondContact O-N 2.9Å; F98-I105 VanDerWaalsContact O-N 3.07Å; F98-I112 HydrophobicContact CE1-CD1 3.51Å; F98-I112 HydrophobicContact CE2-CD1 4.43Å; F98-I112 HydrophobicContact CZ-CD1 3.34Å; F98-M132 HydrophobicContact CE2-CE 4.45Å; F98-M132 HydrophobicContact CE2-SD 4.4Å; F98-M132 HydrophobicContact CZ-CE 4.47Å; F98-Y136 AromaticContact CD2-CD1 3.91Å; F98-Y136 HydrophobicContact CD2-CD1 3.91Å; F98-Y136 AromaticContact CD2-CE1 3.95Å; F98-Y136 HydrophobicContact CD2-CE1 3.95Å; F98-Y136 HydrophobicContact CD2-CG 4.34Å; F98-Y136 HydrophobicContact CE2-CD1 4.34Å; F98-Y136 HydrophobicContact CE2-CD2 4.4Å; F98-Y136 HydrophobicContact CE2-CE1 4.42Å; F98-Y136 HydrophobicContact CE2-CE2 4.47Å; F98-Y136 HydrophobicContact CE2-CG 4.34Å; F98-F138 HydrophobicContact CD1-CZ 4.26Å; F98-F138 HydrophobicContact CD2-CE2 4.21Å; F98-F138 HydrophobicContact CD2-CZ 4.03Å; F98-F138 HydrophobicContact CE1-CZ 4.09Å; F98-F138 AromaticContact CE2-CE2 3.78Å; F98-F138 HydrophobicContact CE2-CE2 3.78Å; F98-F138 AromaticContact CE2-CZ 3.83Å; F98-F138 HydrophobicContact CE2-CZ 3.83Å; F98-F138 HydrophobicContact CG-CZ 4.25Å; F98-F138 HydrophobicContact CZ-CE2 4.08Å; F98-F138 AromaticContact CZ-CZ 3.88Å; F98-F138 HydrophobicContact CZ-CZ 3.88Å
99G93.7Very high94.1Very high18 Ų1846.9 Ų46.919%0.18624%0.237CC..SBendtrans-70.6-178-17800000114.7D95 E101 K102 N104D95-G99 WeakPolarHBondContact O-CA 3.36Å; D95-G99 PolarHBondContact O-N 2.97Å; G99-E101 PolarHBondContact O-N 3.45Å; G99-E101 VanDerWaalsContact O-N 3.13Å; G99-K102 PolarHBondContact O-N 2.95Å; G99-N104 WeakPolarHBondContact O-CA 3.34Å; G99-N104 PolarHBondContact O-N 2.64Å
100P91.6Very high94Very high108 Ų10847.1 Ų47.170%0.70124%0.238SC*.THydrogen-bonded Turntrans-62.4-23.8-169.3-25.235.2000115.5
101E90.3Very high94Very high79 Ų7947.3 Ų47.337%0.36924%0.24SC..THydrogen-bonded Turntrans-78.6-25.3-173.7-68.7174.6-149.300113.8K57 Y96 G99K57-E101 WeakPolarHBondContact CE-OE1 3.28Å; K57-E101 IonicContact NZ-OE1 3.63Å; K57-E101 PolarHBondContact NZ-OE1 2.93Å; Y96-E101 WeakPolarHBondContact CD2-OE2 3.18Å; Y96-E101 HydrophobicContact CE2-CB 4.37Å; Y96-E101 WeakPolarHBondContact CE2-OE2 3.38Å; G99-E101 PolarHBondContact O-N 3.45Å; G99-E101 VanDerWaalsContact O-N 3.13Å
102K94.1Very high94.1Very high33 Ų3344 Ų4414%0.14323%0.225CC..THydrogen-bonded Turntrans-115.5-99.8178-60.1-58.9-179.8-167.80109.3H30 F32 D64 Y96 T97 G99 N104H30-K102 HydrophobicContact CB-CD 4.18Å; H30-K102 PolarHBondContact NE2-O 3.26Å; F32-K102 HydrophobicContact CD1-CD 4.01Å; F32-K102 HydrophobicContact CD1-CG 4.29Å; F32-K102 HydrophobicContact CE1-CD 4.17Å; F32-K102 HydrophobicContact CE1-CG 3.96Å; D64-K102 IonicContact OD2-NZ 2.8Å; D64-K102 PolarHBondContact OD2-NZ 2.88Å; Y96-K102 HydrophobicContact CD1-CG 4.05Å; Y96-K102 HydrophobicContact CE1-CD 4.11Å; Y96-K102 HydrophobicContact CE1-CG 3.8Å; Y96-K102 WeakPolarHBondContact O-CG 3.45Å; Y96-K102 WeakPolarHBondContact OH-CE 3.32Å; Y96-K102 PolarHBondContact OH-NZ 2.95Å; T97-K102 WeakPolarHBondContact O-CB 3.2Å; G99-K102 PolarHBondContact O-N 2.95Å; K102-N104 PolarHBondContact O-N 3.26Å
103L93.6Very high94.2Very high9 Ų940.8 Ų40.85%0.04721%0.21CC..THydrogen-bonded Turntrans-75.9-24.3-170.2-65.8174000114.2V9 C20 Y22 T97 F98 I105V9-L103 HydrophobicContact CG1-CD1 3.66Å; C20-L103 HydrophobicContact CB-CD1 4.16Å; Y22-L103 HydrophobicContact CE2-CD2 4.34Å; Y22-L103 PolarHBondContact OH-O 2.87Å; T97-L103 HydrophobicContact CG2-CD1 4.25Å; T97-L103 WeakPolarHBondContact O-CB 3.3Å; T97-L103 WeakPolarHBondContact O-CG 3.38Å; T97-L103 PolarHBondContact O-N 2.89Å; F98-L103 HydrophobicContact CD1-CD1 4.25Å; L103-I105 HydrophobicContact CB-CD1 4.36Å; L103-I105 HydrophobicContact CB-CG1 4.15Å; L103-I105 HydrophobicContact CB-CG2 4.05Å; L103-I105 HydrophobicContact CD1-CD1 4.27Å; L103-I105 WeakPolarHBondContact O-CG2 3.31Å; L103-I105 PolarHBondContact O-N 2.97Å
104N94.9Very high94.3Very high110 Ų11040.9 Ų40.959%0.58821%0.211SC*.  trans47.957.9-177-169.428.5000112.5F98 G99 K102F98-N104 PolarHBondContact O-N 3.34Å; G99-N104 WeakPolarHBondContact O-CA 3.34Å; G99-N104 PolarHBondContact O-N 2.64Å; K102-N104 PolarHBondContact O-N 3.26Å
105I92.9Very high94.2Very high23 Ų2341.1 Ų41.112%0.11821%0.212CC..  trans-115.5147.1-17657.1172.5000112V9 Y22 F98 L103 S107 F138V9-I105 HydrophobicContact CG1-CD1 4.44Å; V9-I105 HydrophobicContact CG2-CD1 3.66Å; Y22-I105 HydrophobicContact CE1-CG2 4.23Å; Y22-I105 WeakPolarHBondContact OH-CG2 3.47Å; F98-I105 HydrophobicContact CB-CD1 4.25Å; F98-I105 HydrophobicContact CB-CG1 4.02Å; F98-I105 HydrophobicContact CD1-CD1 3.9Å; F98-I105 HydrophobicContact CG-CD1 4.35Å; F98-I105 WeakPolarHBondContact O-CG1 3.48Å; F98-I105 PolarHBondContact O-N 2.9Å; F98-I105 VanDerWaalsContact O-N 3.07Å; L103-I105 HydrophobicContact CB-CD1 4.36Å; L103-I105 HydrophobicContact CB-CG1 4.15Å; L103-I105 HydrophobicContact CB-CG2 4.05Å; L103-I105 HydrophobicContact CD1-CD1 4.27Å; L103-I105 WeakPolarHBondContact O-CG2 3.31Å; L103-I105 PolarHBondContact O-N 2.97Å; I105-S107 PolarHBondContact O-N 2.93Å; I105-F138 HydrophobicContact CD1-CE1 4.48Å
106E93.2Very high94Very high118 Ų11838 Ų3855%0.55120%0.195SC*.  trans-86.5102.4163.2-170.1179-166.600108.6R108 N109 C110E106-R108 HydrophobicContact CG-CB 4.43Å; E106-R108 PolarHBondContact O-N 3.32Å; E106-R108 VanDerWaalsContact O-N 3.16Å; E106-N109 PolarHBondContact O-N 3.06Å; E106-N109 PolarHBondContact OE2-ND2 2.92Å; E106-C110 PolarHBondContact O-SG 3.33Å
107S92.4Very high93.7Very high22 Ų2237.4 Ų37.415%0.15419%0.194CC..G310 helixtrans-52.9-37.2-175.151.40000113.2I105 N109 C110 Y136 F138I105-S107 PolarHBondContact O-N 2.93Å; S107-N109 PolarHBondContact O-N 3.22Å; S107-N109 VanDerWaalsContact O-N 3.16Å; S107-C110 PolarHBondContact O-N 2.97Å; S107-Y136 VanDerWaalsContact CB-O 3.26Å; S107-Y136 WeakPolarHBondContact CB-O 3.34Å; S107-Y136 PolarHBondContact OG-O 3.11Å; S107-F138 WeakPolarHBondContact O-CA 3.29Å; S107-F138 WeakPolarHBondContact O-CD1 3.38Å
108R92Very high93.1Very high131 Ų13138 Ų3849%0.49420%0.198SC..G310 helixtrans-55.7-32.2178.3-69.4177.3175.3-1780.6114.2E106 Q137E106-R108 HydrophobicContact CG-CB 4.43Å; E106-R108 PolarHBondContact O-N 3.32Å; E106-R108 VanDerWaalsContact O-N 3.16Å; R108-Q137 WeakPolarHBondContact CA-O 3.49Å; R108-Q137 HydrophobicContact CG-CB 3.92Å
109N92.3Very high92.5Very high90 Ų9043.6 Ų43.648%0.48123%0.226SC..G310 helixtrans-100.816.2-177.2-68.1-29.2000112.4R6 E106 S107R6-N109 WeakPolarHBondContact CB-O 3.43Å; R6-N109 WeakPolarHBondContact CG-O 3.33Å; E106-N109 PolarHBondContact O-N 3.06Å; E106-N109 PolarHBondContact OE2-ND2 2.92Å; S107-N109 PolarHBondContact O-N 3.22Å; S107-N109 VanDerWaalsContact O-N 3.16Å
110C94.3Very high92.2Very high5 Ų543.8 Ų43.83%0.03422%0.222CC..EExtended strand (participates in β ladder)trans-124.1157.1-177.2-62.10000112.2K7 V9 E106 S107 F138 A139K7-C110 VanDerWaalsContact O-CA 3.3Å; K7-C110 WeakPolarHBondContact O-CA 3.38Å; V9-C110 HydrophobicContact CG2-CB 4.4Å; E106-C110 PolarHBondContact O-SG 3.33Å; S107-C110 PolarHBondContact O-N 2.97Å; C110-F138 HydrophobicContact CB-CD1 4.04Å; C110-F138 HydrophobicContact CB-CE1 4Å; C110-A139 WeakPolarHBondContact O-CB 3.42Å; C110-A139 PolarHBondContact O-N 3.41Å
111K95.8Very high92Very high5 Ų541.4 Ų41.42%0.02221%0.207CC..EExtended strand (participates in β ladder)trans-103.3149.5161.2-70.5168.9168.7163.60108.9D2 R6 K7 V8 V9 G140 K371 W377D2-K111 WeakPolarHBondContact OD2-CE 3.29Å; D2-K111 IonicContact OD2-NZ 3.13Å; D2-K111 PolarHBondContact OD2-NZ 3.24Å; R6-K111 VanDerWaalsContact NH2-CE 3.32Å; R6-K111 VanDerWaalsContact NH2-NZ 3.1Å; K7-K111 PolarHBondContact O-N 2.83Å; V8-K111 WeakPolarHBondContact CA-O 3.41Å; V8-K111 HydrophobicContact CG1-CB 4.35Å; V8-K111 HydrophobicContact CG2-CB 4.31Å; V8-K111 HydrophobicContact CG2-CD 4.44Å; V9-K111 PolarHBondContact N-O 3.22Å; K111-G140 CarbonylContact C-O 3.53Å; K111-G140 VanDerWaalsContact CA-O 3.23Å; K111-G140 WeakPolarHBondContact CA-O 3.12Å; K111-K371 PolarHBondContact NZ-O 2.61Å; K111-W377 HydrophobicContact CB-CD2 4.39Å; K111-W377 HydrophobicContact CB-CE3 4.13Å; K111-W377 HydrophobicContact CB-CH2 4.28Å; K111-W377 HydrophobicContact CB-CZ3 4.08Å; K111-W377 HydrophobicContact CD-CD2 3.99Å; K111-W377 HydrophobicContact CD-CG 4.15Å; K111-W377 HydrophobicContact CG-CD2 4.43Å
112I96.8Very high91.9Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-133.6127.2-180-171.2171.3000112.7V9 C11 F98 L114 M132 F138 G140 V141 Y142 W377V9-I112 HydrophobicContact CB-CG1 4.29Å; V9-I112 HydrophobicContact CG1-CD1 4.48Å; V9-I112 HydrophobicContact CG1-CG1 4.36Å; V9-I112 CarbonylContact O-C 3.57Å; V9-I112 WeakPolarHBondContact O-CA 3.34Å; C11-I112 HydrophobicContact CB-CD1 4.36Å; F98-I112 HydrophobicContact CE1-CD1 3.51Å; F98-I112 HydrophobicContact CE2-CD1 4.43Å; F98-I112 HydrophobicContact CZ-CD1 3.34Å; I112-L114 HydrophobicContact CD1-CD2 3.85Å; I112-L114 HydrophobicContact CD1-CG 4.2Å; I112-L114 HydrophobicContact CG1-CD2 4.24Å; I112-L114 HydrophobicContact CG1-CG 4.16Å; I112-M132 HydrophobicContact CD1-SD 4.44Å; I112-F138 HydrophobicContact CB-CD1 3.97Å; I112-F138 HydrophobicContact CB-CE1 3.91Å; I112-F138 HydrophobicContact CB-CG 4.37Å; I112-F138 HydrophobicContact CB-CZ 4.25Å; I112-F138 HydrophobicContact CD1-CE1 4.32Å; I112-F138 HydrophobicContact CD1-CE2 4.19Å; I112-F138 HydrophobicContact CD1-CZ 3.87Å; I112-F138 HydrophobicContact CG2-CB 4.17Å; I112-F138 HydrophobicContact CG2-CD1 3.77Å; I112-F138 HydrophobicContact CG2-CD2 3.83Å; I112-F138 HydrophobicContact CG2-CE1 4.06Å; I112-F138 HydrophobicContact CG2-CE2 4.11Å; I112-F138 HydrophobicContact CG2-CG 3.65Å; I112-F138 HydrophobicContact CG2-CZ 4.23Å; I112-G140 PolarHBondContact N-O 2.77Å; I112-V141 HydrophobicContact CG2-CB 4.4Å; I112-V141 HydrophobicContact CG2-CG1 4.26Å; I112-V141 HydrophobicContact CG2-CG2 3.89Å; I112-V141 CarbonylContact O-C 3.56Å; I112-V141 WeakPolarHBondContact O-CA 3.42Å; I112-Y142 PolarHBondContact O-N 3.04Å; I112-W377 WeakPolarHBondContact O-CZ3 3.5Å
113L97.3Very high91.8Very high0 Ų046.9 Ų46.90%024%0.235CC..EExtended strand (participates in β ladder)trans-97.3120.7166.8-172.8151.2000109V9 V10 C11 T115 Y142 A144 L149 L366 A367 W377V9-L113 PolarHBondContact O-N 3.31Å; V10-L113 WeakPolarHBondContact CA-O 3.12Å; V10-L113 HydrophobicContact CG1-CD2 4.13Å; V10-L113 HydrophobicContact CG2-CB 4.31Å; C11-L113 PolarHBondContact N-O 2.92Å; L113-T115 HydrophobicContact CD2-CG2 4.39Å; L113-Y142 WeakPolarHBondContact CA-O 3.43Å; L113-Y142 HydrophobicContact CD1-CD1 3.92Å; L113-Y142 HydrophobicContact CG-CD1 4.12Å; L113-A144 HydrophobicContact CD2-CB 4.19Å; L113-L149 HydrophobicContact CD2-CD1 4.24Å; L113-L366 HydrophobicContact CD1-CD2 4.25Å; L113-A367 HydrophobicContact CB-CB 4.36Å; L113-A367 HydrophobicContact CD1-CB 4.08Å; L113-W377 HydrophobicContact CB-CH2 4.13Å; L113-W377 HydrophobicContact CB-CZ3 4.3Å
114L96.5Very high91.7Very high2 Ų247.7 Ų47.71%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-106151.2174.9-66.6164000109.9C11 I112 I128 M132 V141 Y142 I143 A144C11-L114 HydrophobicContact CB-CD2 3.93Å; I112-L114 HydrophobicContact CD1-CD2 3.85Å; I112-L114 HydrophobicContact CD1-CG 4.2Å; I112-L114 HydrophobicContact CG1-CD2 4.24Å; I112-L114 HydrophobicContact CG1-CG 4.16Å; L114-I128 HydrophobicContact CD1-CG2 3.49Å; L114-I128 VanDerWaalsContact CD1-CG2 3.49Å; L114-M132 HydrophobicContact CD1-CE 3.74Å; L114-M132 HydrophobicContact CD1-CG 3.75Å; L114-M132 HydrophobicContact CD1-SD 3.93Å; L114-M132 HydrophobicContact CD2-CE 4.27Å; L114-V141 HydrophobicContact CD1-CG1 4.34Å; L114-Y142 PolarHBondContact N-O 3.27Å; L114-I143 HydrophobicContact CB-CG1 4.42Å; L114-I143 WeakPolarHBondContact O-CA 3.36Å; L114-A144 PolarHBondContact O-N 3.01Å
115T94.3Very high91.5Very high6 Ų644 Ų444%0.03722%0.217CC..EExtended strand (participates in β ladder)trans-104.2149.5173.172.20000110C11 D12 L113 A144 L149 V359C11-T115 PolarHBondContact O-N 3.29Å; D12-T115 VanDerWaalsContact CA-OG1 3.31Å; D12-T115 WeakPolarHBondContact CA-OG1 3.38Å; D12-T115 HydrophobicContact CB-CG2 4.07Å; D12-T115 PolarHBondContact OD1-OG1 3.02Å; L113-T115 HydrophobicContact CD2-CG2 4.39Å; T115-A144 CarbonylContact C-O 3.57Å; T115-A144 VanDerWaalsContact CA-O 3.31Å; T115-A144 WeakPolarHBondContact CA-O 3.26Å; T115-L149 HydrophobicContact CG2-CD1 3.75Å; T115-V359 HydrophobicContact CG2-CG1 3.75Å
116E91.1Very high91.5Very high8 Ų845 Ų454%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-132.1149.4169.864161.6-14500111.5N120 R125 I143 A144 I145 Q146E116-N120 HydrophobicContact CB-CB 4.4Å; E116-N120 PolarHBondContact OE2-ND2 3.47Å; E116-R125 VanDerWaalsContact CD-CZ 3.42Å; E116-R125 IonicContact OE1-CZ 3.19Å; E116-R125 IonicContact OE1-NE 2.55Å; E116-R125 IonicContact OE1-NH1 3.04Å; E116-R125 IonicContact OE1-NH2 3.26Å; E116-R125 PolarHBondContact OE1-NH2 2.95Å; E116-R125 IonicContact OE2-CZ 2.84Å; E116-R125 VanDerWaalsContact OE2-CZ 3.26Å; E116-R125 IonicContact OE2-NE 3.37Å; E116-R125 PolarHBondContact OE2-NE 2.88Å; E116-R125 IonicContact OE2-NH2 3.62Å; E116-R125 PolarHBondContact OE2-NH2 3.22Å; E116-I143 HydrophobicContact CB-CG2 4.07Å; E116-I143 HydrophobicContact CG-CG2 3.73Å; E116-A144 PolarHBondContact N-O 2.91Å; E116-I145 HydrophobicContact CG-CG1 4.47Å; E116-Q146 VanDerWaalsContact O-CG 3.25Å; E116-Q146 WeakPolarHBondContact O-CG 3.25Å; E116-Q146 PolarHBondContact O-N 3.01Å
117P88.7Confident91.6Very high10 Ų1042.7 Ų42.77%0.06521%0.21CC..  trans-68.1159174.532.9-39.5000111.2G82 N120G82-P117 WeakPolarHBondContact O-CG 3.25Å; P117-N120 HydrophobicContact CG-CB 4.33Å; P117-N120 PolarHBondContact O-N 3.26Å
118P84.6Confident91.6Very high11 Ų1142.2 Ų42.27%0.07121%0.205CC..THydrogen-bonded Turntrans-55.5148.3168.2-20.832.7000111.5N120 H170 C172 T184P118-N120 PolarHBondContact O-N 3.05Å; P118-H170 HydrophobicContact CG-CB 4.08Å; P118-C172 HydrophobicContact CG-CB 4.28Å; P118-T184 HydrophobicContact CB-CG2 3.69Å
119M82.6Confident91.7Very high128 Ų12836 Ų3663%0.63118%0.182SC*.THydrogen-bonded Turntrans60.226178.4-57.7-66.3-70.200115P181 T184M119-P181 HydrophobicContact SD-CB 3.83Å; M119-T184 HydrophobicContact CG-CG2 4.2Å
120N86.5Confident91.9Very high21 Ų2134.3 Ų34.311%0.11217%0.171CC..  trans-62.9129.6172.8-172.530.5000110.9E116 P117 P118 T122 N124E116-N120 HydrophobicContact CB-CB 4.4Å; E116-N120 PolarHBondContact OE2-ND2 3.47Å; P117-N120 HydrophobicContact CG-CB 4.33Å; P117-N120 PolarHBondContact O-N 3.26Å; P118-N120 PolarHBondContact O-N 3.05Å; N120-T122 PolarHBondContact O-N 3.14Å; N120-N124 WeakPolarHBondContact OD1-CB 3.49Å; N120-N124 PolarHBondContact OD1-ND2 3.3Å
121P88.4Confident91.9Very high59 Ų5934.4 Ų34.438%0.38317%0.171SC..  trans-56.8138.1175-2734.7000112.3K123 N124 R125P121-K123 PolarHBondContact O-N 3.07Å; P121-N124 WeakPolarHBondContact O-CB 3.41Å; P121-N124 PolarHBondContact O-N 3.1Å; P121-R125 PolarHBondContact O-N 3.41Å
122T88.5Confident92Very high65 Ų6534.1 Ų34.140%0.39917%0.17SC..Hα-helixtrans-55.8-40.917953.10000111.8N120 N124 R125 E126 V396N120-T122 PolarHBondContact O-N 3.14Å; T122-N124 PolarHBondContact O-N 2.91Å; T122-N124 VanDerWaalsContact O-N 3.16Å; T122-R125 CarbonylContact O-C 3.48Å; T122-R125 WeakPolarHBondContact O-CA 3.29Å; T122-R125 WeakPolarHBondContact O-CB 3.47Å; T122-R125 PolarHBondContact O-N 3.3Å; T122-E126 WeakPolarHBondContact O-CG 3.36Å; T122-E126 PolarHBondContact O-N 3.35Å; T122-V396 HydrophobicContact CG2-CG1 3.79Å
123K90.9Very high91.9Very high161 Ų16134.4 Ų34.470%0.717%0.172SC*.Hα-helixtrans-52.6-37.6175-67.5-173.8177.1-175.60113.9P121 K127P121-K123 PolarHBondContact O-N 3.07Å; K123-K127 WeakPolarHBondContact O-CB 3.43Å; K123-K127 PolarHBondContact O-N 3.33Å
124N91.6Very high91.9Very high27 Ų2739.5 Ų39.514%0.14420%0.195CC..Hα-helixtrans-71.8-40.3177.8-68.7-13.4000110.8I83 W87 N120 P121 T122 E126 K127 I128I83-N124 WeakPolarHBondContact CG2-ND2 3.28Å; W87-N124 HydrophobicContact CH2-CB 4.37Å; W87-N124 WeakPolarHBondContact CH2-O 3.43Å; W87-N124 HydrophobicContact CZ2-CB 4.12Å; N120-N124 WeakPolarHBondContact OD1-CB 3.49Å; N120-N124 PolarHBondContact OD1-ND2 3.3Å; P121-N124 WeakPolarHBondContact O-CB 3.41Å; P121-N124 PolarHBondContact O-N 3.1Å; T122-N124 PolarHBondContact O-N 2.91Å; T122-N124 VanDerWaalsContact O-N 3.16Å; N124-E126 VanDerWaalsContact C-N 3.33Å; N124-K127 PolarHBondContact O-N 3.32Å; N124-I128 VanDerWaalsContact O-CG1 3.3Å; N124-I128 WeakPolarHBondContact O-CG1 3.31Å; N124-I128 PolarHBondContact O-N 3.18Å
125R91.3Very high91.8Very high32 Ų3243.2 Ų43.212%0.12122%0.218CC..Hα-helixtrans-61.6-42.8174.8-175.7-179.2-86.6168.6-31.2111.4E116 P121 T122 I128 I129 I143 L391 V396E116-R125 VanDerWaalsContact CD-CZ 3.42Å; E116-R125 IonicContact OE1-CZ 3.19Å; E116-R125 IonicContact OE1-NE 2.55Å; E116-R125 IonicContact OE1-NH1 3.04Å; E116-R125 IonicContact OE1-NH2 3.26Å; E116-R125 PolarHBondContact OE1-NH2 2.95Å; E116-R125 IonicContact OE2-CZ 2.84Å; E116-R125 VanDerWaalsContact OE2-CZ 3.26Å; E116-R125 IonicContact OE2-NE 3.37Å; E116-R125 PolarHBondContact OE2-NE 2.88Å; E116-R125 IonicContact OE2-NH2 3.62Å; E116-R125 PolarHBondContact OE2-NH2 3.22Å; P121-R125 PolarHBondContact O-N 3.41Å; T122-R125 CarbonylContact O-C 3.48Å; T122-R125 WeakPolarHBondContact O-CA 3.29Å; T122-R125 WeakPolarHBondContact O-CB 3.47Å; T122-R125 PolarHBondContact O-N 3.3Å; R125-I128 PolarHBondContact O-N 3.35Å; R125-I129 WeakPolarHBondContact O-CG1 3.33Å; R125-I129 PolarHBondContact O-N 3.02Å; R125-I129 VanDerWaalsContact O-N 3.13Å; R125-I143 HydrophobicContact CG-CD1 3.73Å; R125-L391 HydrophobicContact CG-CD1 3.99Å; R125-L391 HydrophobicContact CG-CD2 3.94Å; R125-V396 VanDerWaalsContact NH1-CG2 3.25Å
126E93Very high91.9Very high45 Ų4543.7 Ų43.721%0.2122%0.219CC..Hα-helixtrans-58.2-47.3173.4-64.6178.3-167.800111.3T122 N124 I128 I129 E130 V388 L391T122-E126 WeakPolarHBondContact O-CG 3.36Å; T122-E126 PolarHBondContact O-N 3.35Å; N124-E126 VanDerWaalsContact C-N 3.33Å; E126-I128 PolarHBondContact O-N 3.02Å; E126-I129 PolarHBondContact O-N 3.16Å; E126-E130 PolarHBondContact O-N 3.06Å; E126-V388 HydrophobicContact CB-CG1 3.52Å; E126-V388 HydrophobicContact CG-CG1 3.29Å; E126-L391 HydrophobicContact CB-CD1 4.41Å; E126-L391 HydrophobicContact CG-CD1 3.84Å
127K94.1Very high92.1Very high68 Ų6846.2 Ų46.230%0.29623%0.231SC..Hα-helixtrans-65.9-35.5179.3-169.155.4169.1-177.30113.3W87 K123 N124 E130 V131W87-K127 HydrophobicContact CD2-CG 3.66Å; W87-K127 HydrophobicContact CE3-CG 3.74Å; W87-K127 HydrophobicContact CG-CG 4.35Å; W87-K127 HydrophobicContact CH2-CB 3.72Å; W87-K127 HydrophobicContact CH2-CG 3.87Å; W87-K127 HydrophobicContact CZ2-CB 3.71Å; W87-K127 HydrophobicContact CZ2-CG 3.77Å; W87-K127 HydrophobicContact CZ3-CB 4.12Å; W87-K127 HydrophobicContact CZ3-CG 3.83Å; K123-K127 WeakPolarHBondContact O-CB 3.43Å; K123-K127 PolarHBondContact O-N 3.33Å; N124-K127 PolarHBondContact O-N 3.32Å; K127-E130 HydrophobicContact CD-CB 4.48Å; K127-E130 WeakPolarHBondContact CD-OE2 3.18Å; K127-E130 IonicContact NZ-OE1 3.95Å; K127-E130 PolarHBondContact NZ-OE1 2.95Å; K127-E130 IonicContact NZ-OE2 2.78Å; K127-E130 PolarHBondContact NZ-OE2 3.31Å; K127-E130 PolarHBondContact O-N 3.38Å; K127-V131 HydrophobicContact CD-CG2 4.39Å; K127-V131 VanDerWaalsContact O-CG2 3.29Å; K127-V131 WeakPolarHBondContact O-CG2 3.47Å; K127-V131 PolarHBondContact O-N 3.41Å
128I94.1Very high92.5Very high12 Ų1245.7 Ų45.76%0.06223%0.228CC..Hα-helixtrans-59.7-49.7172.6-70.2164.3000109.8W87 W94 L114 N124 R125 E126 E130 V131 M132 I143W87-I128 HydrophobicContact CH2-CG1 3.8Å; W87-I128 HydrophobicContact CZ3-CG1 3.91Å; W94-I128 HydrophobicContact CH2-CG1 4.26Å; L114-I128 HydrophobicContact CD1-CG2 3.49Å; L114-I128 VanDerWaalsContact CD1-CG2 3.49Å; N124-I128 VanDerWaalsContact O-CG1 3.3Å; N124-I128 WeakPolarHBondContact O-CG1 3.31Å; N124-I128 PolarHBondContact O-N 3.18Å; R125-I128 PolarHBondContact O-N 3.35Å; E126-I128 PolarHBondContact O-N 3.02Å; I128-E130 PolarHBondContact O-N 2.96Å; I128-V131 PolarHBondContact O-N 3.3Å; I128-M132 HydrophobicContact CG2-CG 4.12Å; I128-M132 WeakPolarHBondContact O-CB 3.3Å; I128-M132 WeakPolarHBondContact O-CG 3.45Å; I128-M132 PolarHBondContact O-N 2.94Å; I128-I143 HydrophobicContact CB-CD1 4.22Å; I128-I143 HydrophobicContact CG2-CD1 3.83Å
129I94.1Very high92.9Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-60.8-45.6179.8-70.9-57.4000111.5R125 E126 V131 M132 F133 V141 I143 L378 Y383 V390 L391R125-I129 WeakPolarHBondContact O-CG1 3.33Å; R125-I129 PolarHBondContact O-N 3.02Å; R125-I129 VanDerWaalsContact O-N 3.13Å; E126-I129 PolarHBondContact O-N 3.16Å; I129-V131 PolarHBondContact O-N 3.08Å; I129-M132 PolarHBondContact O-N 3.22Å; I129-F133 HydrophobicContact CD1-CE2 4.41Å; I129-F133 HydrophobicContact CG2-CD2 3.62Å; I129-F133 HydrophobicContact CG2-CE2 3.79Å; I129-F133 WeakPolarHBondContact O-CD2 3.4Å; I129-F133 PolarHBondContact O-N 3.13Å; I129-V141 HydrophobicContact CD1-CB 4.22Å; I129-V141 HydrophobicContact CD1-CG1 3.66Å; I129-I143 HydrophobicContact CD1-CD1 3.56Å; I129-I143 HydrophobicContact CD1-CG1 4.13Å; I129-I143 HydrophobicContact CG1-CD1 3.76Å; I129-L378 HydrophobicContact CD1-CD1 3.78Å; I129-Y383 HydrophobicContact CG2-CD2 3.76Å; I129-Y383 HydrophobicContact CG2-CE2 3.76Å; I129-V390 HydrophobicContact CG2-CG1 4.16Å; I129-L391 HydrophobicContact CD1-CD2 4.25Å; I129-L391 HydrophobicContact CG1-CD1 4.18Å; I129-L391 HydrophobicContact CG1-CD2 3.67Å; I129-L391 HydrophobicContact CG1-CG 4.04Å
130E94.7Very high93.5Very high55 Ų5540 Ų4026%0.25720%0.202SC..Hα-helixtrans-55.1-51.9175-171.8-162.9138.200111E126 K127 I128 M132 F133 E134E126-E130 PolarHBondContact O-N 3.06Å; K127-E130 HydrophobicContact CD-CB 4.48Å; K127-E130 WeakPolarHBondContact CD-OE2 3.18Å; K127-E130 IonicContact NZ-OE1 3.95Å; K127-E130 PolarHBondContact NZ-OE1 2.95Å; K127-E130 IonicContact NZ-OE2 2.78Å; K127-E130 PolarHBondContact NZ-OE2 3.31Å; K127-E130 PolarHBondContact O-N 3.38Å; I128-E130 PolarHBondContact O-N 2.96Å; E130-M132 PolarHBondContact O-N 3.45Å; E130-F133 PolarHBondContact O-N 3.35Å; E130-E134 HydrophobicContact CG-CG 4.22Å; E130-E134 WeakPolarHBondContact O-CB 3.43Å; E130-E134 WeakPolarHBondContact O-CG 3.43Å; E130-E134 PolarHBondContact O-N 3.29Å
131V95.8Very high94Very high7 Ų739 Ų394%0.04220%0.197CC..Iπ-helixtrans-63.2-42.1-179.9173.30000111.6K91 W94 K127 I128 I129 F133 T135 Y136K91-V131 HydrophobicContact CG-CG1 4.25Å; W94-V131 HydrophobicContact CE3-CG1 3.91Å; W94-V131 HydrophobicContact CZ3-CB 4.21Å; W94-V131 HydrophobicContact CZ3-CG1 3.67Å; K127-V131 HydrophobicContact CD-CG2 4.39Å; K127-V131 VanDerWaalsContact O-CG2 3.29Å; K127-V131 WeakPolarHBondContact O-CG2 3.47Å; K127-V131 PolarHBondContact O-N 3.41Å; I128-V131 PolarHBondContact O-N 3.3Å; I129-V131 PolarHBondContact O-N 3.08Å; V131-F133 PolarHBondContact O-N 2.9Å; V131-T135 WeakPolarHBondContact O-CA 3.46Å; V131-T135 WeakPolarHBondContact O-CB 3.36Å; V131-T135 PolarHBondContact O-N 3.24Å; V131-Y136 HydrophobicContact CG1-CD2 3.88Å; V131-Y136 HydrophobicContact CG1-CE2 3.61Å; V131-Y136 PolarHBondContact O-N 3.4Å
132M96.4Very high94.3Very high0 Ų038.4 Ų38.40%019%0.187CC..Iπ-helixtrans-67.9-35.2-177.4-67.6-66.6156.400113.2W94 F98 I112 L114 I128 I129 E130 Y136 Q137 F138 V141W94-M132 HydrophobicContact CD2-CE 3.5Å; W94-M132 HydrophobicContact CE3-CE 3.75Å; W94-M132 HydrophobicContact CG-CE 4.13Å; W94-M132 HydrophobicContact CH2-CE 3.73Å; W94-M132 HydrophobicContact CZ2-CE 3.48Å; W94-M132 VanDerWaalsContact CZ2-CE 3.48Å; W94-M132 HydrophobicContact CZ3-CE 3.87Å; F98-M132 HydrophobicContact CE2-CE 4.45Å; F98-M132 HydrophobicContact CE2-SD 4.4Å; F98-M132 HydrophobicContact CZ-CE 4.47Å; I112-M132 HydrophobicContact CD1-SD 4.44Å; L114-M132 HydrophobicContact CD1-CE 3.74Å; L114-M132 HydrophobicContact CD1-CG 3.75Å; L114-M132 HydrophobicContact CD1-SD 3.93Å; L114-M132 HydrophobicContact CD2-CE 4.27Å; I128-M132 HydrophobicContact CG2-CG 4.12Å; I128-M132 WeakPolarHBondContact O-CB 3.3Å; I128-M132 WeakPolarHBondContact O-CG 3.45Å; I128-M132 PolarHBondContact O-N 2.94Å; I129-M132 PolarHBondContact O-N 3.22Å; E130-M132 PolarHBondContact O-N 3.45Å; M132-Y136 CarbonylContact O-C 3.58Å; M132-Y136 HydrophobicContact SD-CD2 4.21Å; M132-Q137 PolarHBondContact O-N 3.01Å; M132-F138 HydrophobicContact CB-CD2 4.36Å; M132-F138 PolarHBondContact O-N 3.33Å; M132-F138 HydrophobicContact SD-CD2 3.96Å; M132-F138 HydrophobicContact SD-CE2 3.77Å; M132-V141 HydrophobicContact CB-CG1 4.45Å; M132-V141 HydrophobicContact CB-CG2 3.86Å
133F96.5Very high94.6Very high6 Ų635.6 Ų35.63%0.02617%0.169CC..Iπ-helixtrans-91.7-37.5178.3-72.1-57.3000114.1I129 E130 V131 Q137 F138 V141 L378 R380 Y383I129-F133 HydrophobicContact CD1-CE2 4.41Å; I129-F133 HydrophobicContact CG2-CD2 3.62Å; I129-F133 HydrophobicContact CG2-CE2 3.79Å; I129-F133 WeakPolarHBondContact O-CD2 3.4Å; I129-F133 PolarHBondContact O-N 3.13Å; E130-F133 PolarHBondContact O-N 3.35Å; V131-F133 PolarHBondContact O-N 2.9Å; F133-Q137 VanDerWaalsContact O-CA 3.22Å; F133-Q137 WeakPolarHBondContact O-CA 3.25Å; F133-Q137 WeakPolarHBondContact O-CG 3.33Å; F133-Q137 PolarHBondContact O-N 2.86Å; F133-F138 WeakPolarHBondContact CD1-O 3.48Å; F133-F138 WeakPolarHBondContact CE1-O 3.5Å; F133-V141 HydrophobicContact CD1-CG2 4.22Å; F133-V141 HydrophobicContact CE1-CB 4.36Å; F133-V141 HydrophobicContact CE1-CG2 3.66Å; F133-V141 HydrophobicContact CE2-CB 4.18Å; F133-V141 HydrophobicContact CE2-CG2 4.05Å; F133-V141 HydrophobicContact CZ-CB 3.78Å; F133-V141 HydrophobicContact CZ-CG2 3.57Å; F133-L378 HydrophobicContact CE2-CB 4.41Å; F133-L378 HydrophobicContact CZ-CB 4.15Å; F133-L378 WeakPolarHBondContact CZ-O 3.31Å; F133-R380 HydrophobicContact CD1-CB 3.92Å; F133-R380 HydrophobicContact CD1-CG 4.02Å; F133-R380 HydrophobicContact CE1-CB 4.02Å; F133-Y383 HydrophobicContact CB-CD1 3.44Å; F133-Y383 VanDerWaalsContact CB-CD1 3.44Å; F133-Y383 HydrophobicContact CB-CE1 3.64Å; F133-Y383 HydrophobicContact CB-CG 3.94Å; F133-Y383 AromaticContact CD2-CD1 3.91Å; F133-Y383 HydrophobicContact CD2-CD1 3.91Å; F133-Y383 AromaticContact CD2-CD2 3.66Å; F133-Y383 HydrophobicContact CD2-CD2 3.66Å; F133-Y383 HydrophobicContact CD2-CE1 4.48Å; F133-Y383 HydrophobicContact CD2-CE2 4.27Å; F133-Y383 AromaticContact CD2-CG 3.45Å; F133-Y383 HydrophobicContact CD2-CG 3.45Å; F133-Y383 VanDerWaalsContact CD2-CG 3.45Å; F133-Y383 HydrophobicContact CE2-CD2 4.25Å; F133-Y383 HydrophobicContact CE2-CG 4.1Å; F133-Y383 AromaticContact CG-CD1 3.85Å; F133-Y383 HydrophobicContact CG-CD1 3.85Å; F133-Y383 HydrophobicContact CG-CD2 4.43Å; F133-Y383 HydrophobicContact CG-CE1 4.43Å; F133-Y383 AromaticContact CG-CG 3.84Å; F133-Y383 HydrophobicContact CG-CG 3.84Å
134E95.6Very high94.7Very high107 Ų10728.1 Ų28.150%0.514%0.138SC..Iπ-helixtrans-82.6-47.5-177.6-61.3-171.8171.100111.8E130 Y383E130-E134 HydrophobicContact CG-CG 4.22Å; E130-E134 WeakPolarHBondContact O-CB 3.43Å; E130-E134 WeakPolarHBondContact O-CG 3.43Å; E130-E134 PolarHBondContact O-N 3.29Å; E134-Y383 HydrophobicContact CG-CE1 3.95Å; E134-Y383 PolarHBondContact OE1-OH 2.86Å; E134-Y383 VanDerWaalsContact OE1-OH 3.08Å
135T95.3Very high94.7Very high79 Ų7928.6 Ų28.649%0.48514%0.14SC..Iπ-helixtrans-82.1-56.2-177.2-48.30000111.1V131V131-T135 WeakPolarHBondContact O-CA 3.46Å; V131-T135 WeakPolarHBondContact O-CB 3.36Å; V131-T135 PolarHBondContact O-N 3.24Å
136Y95.7Very high94.8Very high17 Ų1727.9 Ų27.97%0.06714%0.138CC..SBendtrans-90.7-18-173.8-63.7-71.4000113.9K91 W94 D95 F98 S107 V131 M132 F138K91-Y136 PolarHBondContact O-OH 3.26Å; W94-Y136 HydrophobicContact CB-CE2 4Å; W94-Y136 WeakPolarHBondContact CB-OH 3.49Å; W94-Y136 HydrophobicContact CE3-CE2 4.05Å; D95-Y136 PolarHBondContact N-OH 3.35Å; D95-Y136 WeakPolarHBondContact OD1-CE1 3.37Å; D95-Y136 VanDerWaalsContact OD1-CZ 3.3Å; D95-Y136 PolarHBondContact OD1-OH 3.12Å; F98-Y136 AromaticContact CD2-CD1 3.91Å; F98-Y136 HydrophobicContact CD2-CD1 3.91Å; F98-Y136 AromaticContact CD2-CE1 3.95Å; F98-Y136 HydrophobicContact CD2-CE1 3.95Å; F98-Y136 HydrophobicContact CD2-CG 4.34Å; F98-Y136 HydrophobicContact CE2-CD1 4.34Å; F98-Y136 HydrophobicContact CE2-CD2 4.4Å; F98-Y136 HydrophobicContact CE2-CE1 4.42Å; F98-Y136 HydrophobicContact CE2-CE2 4.47Å; F98-Y136 HydrophobicContact CE2-CG 4.34Å; S107-Y136 VanDerWaalsContact CB-O 3.26Å; S107-Y136 WeakPolarHBondContact CB-O 3.34Å; S107-Y136 PolarHBondContact OG-O 3.11Å; V131-Y136 HydrophobicContact CG1-CD2 3.88Å; V131-Y136 HydrophobicContact CG1-CE2 3.61Å; V131-Y136 PolarHBondContact O-N 3.4Å; M132-Y136 CarbonylContact O-C 3.58Å; M132-Y136 HydrophobicContact SD-CD2 4.21Å; Y136-F138 VanDerWaalsContact C-N 3.27Å; Y136-F138 VanDerWaalsContact CB-CE2 3.49Å; Y136-F138 HydrophobicContact CG-CE2 4.09Å; Y136-F138 PolarHBondContact O-N 2.66Å
137Q96.1Very high94.7Very high60 Ų6025.9 Ų25.928%0.2813%0.129SC..  trans57.134.9172.9-57.2177.7-300114.6R108 M132 F133 R380R108-Q137 WeakPolarHBondContact CA-O 3.49Å; R108-Q137 HydrophobicContact CG-CB 3.92Å; M132-Q137 PolarHBondContact O-N 3.01Å; F133-Q137 VanDerWaalsContact O-CA 3.22Å; F133-Q137 WeakPolarHBondContact O-CA 3.25Å; F133-Q137 WeakPolarHBondContact O-CG 3.33Å; F133-Q137 PolarHBondContact O-N 2.86Å; Q137-R380 PolarHBondContact O-NH1 2.78Å
138F96.3Very high94.7Very high0 Ų023.5 Ų23.50%012%0.12CC..  trans-54.4145.9175.8-78.6-81.4000111.9F98 I105 S107 C110 I112 M132 F133 Y136 V141F98-F138 HydrophobicContact CD1-CZ 4.26Å; F98-F138 HydrophobicContact CD2-CE2 4.21Å; F98-F138 HydrophobicContact CD2-CZ 4.03Å; F98-F138 HydrophobicContact CE1-CZ 4.09Å; F98-F138 AromaticContact CE2-CE2 3.78Å; F98-F138 HydrophobicContact CE2-CE2 3.78Å; F98-F138 AromaticContact CE2-CZ 3.83Å; F98-F138 HydrophobicContact CE2-CZ 3.83Å; F98-F138 HydrophobicContact CG-CZ 4.25Å; F98-F138 HydrophobicContact CZ-CE2 4.08Å; F98-F138 AromaticContact CZ-CZ 3.88Å; F98-F138 HydrophobicContact CZ-CZ 3.88Å; I105-F138 HydrophobicContact CD1-CE1 4.48Å; S107-F138 WeakPolarHBondContact O-CA 3.29Å; S107-F138 WeakPolarHBondContact O-CD1 3.38Å; C110-F138 HydrophobicContact CB-CD1 4.04Å; C110-F138 HydrophobicContact CB-CE1 4Å; I112-F138 HydrophobicContact CB-CD1 3.97Å; I112-F138 HydrophobicContact CB-CE1 3.91Å; I112-F138 HydrophobicContact CB-CG 4.37Å; I112-F138 HydrophobicContact CB-CZ 4.25Å; I112-F138 HydrophobicContact CD1-CE1 4.32Å; I112-F138 HydrophobicContact CD1-CE2 4.19Å; I112-F138 HydrophobicContact CD1-CZ 3.87Å; I112-F138 HydrophobicContact CG2-CB 4.17Å; I112-F138 HydrophobicContact CG2-CD1 3.77Å; I112-F138 HydrophobicContact CG2-CD2 3.83Å; I112-F138 HydrophobicContact CG2-CE1 4.06Å; I112-F138 HydrophobicContact CG2-CE2 4.11Å; I112-F138 HydrophobicContact CG2-CG 3.65Å; I112-F138 HydrophobicContact CG2-CZ 4.23Å; M132-F138 HydrophobicContact CB-CD2 4.36Å; M132-F138 PolarHBondContact O-N 3.33Å; M132-F138 HydrophobicContact SD-CD2 3.96Å; M132-F138 HydrophobicContact SD-CE2 3.77Å; F133-F138 WeakPolarHBondContact CD1-O 3.48Å; F133-F138 WeakPolarHBondContact CE1-O 3.5Å; Y136-F138 VanDerWaalsContact C-N 3.27Å; Y136-F138 VanDerWaalsContact CB-CE2 3.49Å; Y136-F138 HydrophobicContact CG-CE2 4.09Å; Y136-F138 PolarHBondContact O-N 2.66Å; F138-V141 HydrophobicContact CB-CG2 3.99Å
139A94.4Very high94.7Very high18 Ų1823 Ų2315%0.14912%0.118CC..SBendtrans-70.6-35179.600000112C110 R380C110-A139 WeakPolarHBondContact O-CB 3.42Å; C110-A139 PolarHBondContact O-N 3.41Å; A139-R380 PolarHBondContact O-N 3.46Å
140G94.6Very high94.7Very high1 Ų123 Ų231%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-152.6145.3173.900000112.9K111 I112 L378K111-G140 CarbonylContact C-O 3.53Å; K111-G140 VanDerWaalsContact CA-O 3.23Å; K111-G140 WeakPolarHBondContact CA-O 3.12Å; I112-G140 PolarHBondContact N-O 2.77Å; G140-L378 CarbonylContact C-O 3.58Å; G140-L378 WeakPolarHBondContact CA-O 3.35Å
141V96.1Very high94.7Very high0 Ų020.4 Ų20.40%011%0.106CC..EExtended strand (participates in β ladder)trans-128.9141.6-176.5-177.30000109.3I112 L114 I129 M132 F133 F138 I143 L378I112-V141 HydrophobicContact CG2-CB 4.4Å; I112-V141 HydrophobicContact CG2-CG1 4.26Å; I112-V141 HydrophobicContact CG2-CG2 3.89Å; I112-V141 CarbonylContact O-C 3.56Å; I112-V141 WeakPolarHBondContact O-CA 3.42Å; L114-V141 HydrophobicContact CD1-CG1 4.34Å; I129-V141 HydrophobicContact CD1-CB 4.22Å; I129-V141 HydrophobicContact CD1-CG1 3.66Å; M132-V141 HydrophobicContact CB-CG1 4.45Å; M132-V141 HydrophobicContact CB-CG2 3.86Å; F133-V141 HydrophobicContact CD1-CG2 4.22Å; F133-V141 HydrophobicContact CE1-CB 4.36Å; F133-V141 HydrophobicContact CE1-CG2 3.66Å; F133-V141 HydrophobicContact CE2-CB 4.18Å; F133-V141 HydrophobicContact CE2-CG2 4.05Å; F133-V141 HydrophobicContact CZ-CB 3.78Å; F133-V141 HydrophobicContact CZ-CG2 3.57Å; F138-V141 HydrophobicContact CB-CG2 3.99Å; V141-I143 HydrophobicContact CG1-CG1 4.48Å; V141-L378 PolarHBondContact N-O 3.48Å; V141-L378 VanDerWaalsContact O-CB 3.29Å; V141-L378 WeakPolarHBondContact O-CB 3.35Å; V141-L378 WeakPolarHBondContact O-CG 3.37Å; V141-L378 PolarHBondContact O-N 3.12Å
142Y95.2Very high94.4Very high47 Ų4723.9 Ų23.918%0.18412%0.118CC..EExtended strand (participates in β ladder)trans-135.8139.4168.7-171.8-97.4000109.9I112 L113 L114 A144 L366 F376 L394I112-Y142 PolarHBondContact O-N 3.04Å; L113-Y142 WeakPolarHBondContact CA-O 3.43Å; L113-Y142 HydrophobicContact CD1-CD1 3.92Å; L113-Y142 HydrophobicContact CG-CD1 4.12Å; L114-Y142 PolarHBondContact N-O 3.27Å; Y142-A144 HydrophobicContact CD1-CB 4.1Å; Y142-A144 HydrophobicContact CE1-CB 3.8Å; Y142-L366 HydrophobicContact CE1-CD2 4.34Å; Y142-F376 AromaticContact CD1-CE1 3.88Å; Y142-F376 HydrophobicContact CD1-CE1 3.88Å; Y142-F376 HydrophobicContact CD1-CE2 4.25Å; Y142-F376 AromaticContact CD1-CZ 3.47Å; Y142-F376 HydrophobicContact CD1-CZ 3.47Å; Y142-F376 VanDerWaalsContact CD1-CZ 3.47Å; Y142-F376 HydrophobicContact CD2-CD1 4.12Å; Y142-F376 HydrophobicContact CD2-CD2 4.29Å; Y142-F376 AromaticContact CD2-CE1 3.76Å; Y142-F376 HydrophobicContact CD2-CE1 3.76Å; Y142-F376 AromaticContact CD2-CE2 3.94Å; Y142-F376 HydrophobicContact CD2-CE2 3.94Å; Y142-F376 HydrophobicContact CD2-CG 4.39Å; Y142-F376 AromaticContact CD2-CZ 3.67Å; Y142-F376 HydrophobicContact CD2-CZ 3.67Å; Y142-F376 VanDerWaalsContact CD2-O 3.25Å; Y142-F376 WeakPolarHBondContact CD2-O 3.38Å; Y142-F376 HydrophobicContact CE1-CE1 4.28Å; Y142-F376 AromaticContact CE1-CE2 3.81Å; Y142-F376 HydrophobicContact CE1-CE2 3.81Å; Y142-F376 AromaticContact CE1-CZ 3.41Å; Y142-F376 HydrophobicContact CE1-CZ 3.41Å; Y142-F376 VanDerWaalsContact CE1-CZ 3.41Å; Y142-F376 AromaticContact CE2-CD2 3.89Å; Y142-F376 HydrophobicContact CE2-CD2 3.89Å; Y142-F376 HydrophobicContact CE2-CE1 4.15Å; Y142-F376 AromaticContact CE2-CE2 3.44Å; Y142-F376 HydrophobicContact CE2-CE2 3.44Å; Y142-F376 VanDerWaalsContact CE2-CE2 3.44Å; Y142-F376 HydrophobicContact CE2-CG 4.42Å; Y142-F376 AromaticContact CE2-CZ 3.61Å; Y142-F376 HydrophobicContact CE2-CZ 3.61Å; Y142-F376 HydrophobicContact CG-CD1 4.34Å; Y142-F376 AromaticContact CG-CE1 3.6Å; Y142-F376 HydrophobicContact CG-CE1 3.6Å; Y142-F376 HydrophobicContact CG-CE2 4.31Å; Y142-F376 AromaticContact CG-CZ 3.59Å; Y142-F376 HydrophobicContact CG-CZ 3.59Å; Y142-F376 AromaticContact CZ-CE2 3.38Å; Y142-F376 AromaticContact CZ-CZ 3.49Å; Y142-F376 VanDerWaalsContact CZ-CZ 3.49Å; Y142-L394 HydrophobicContact CD2-CD2 3.87Å; Y142-L394 HydrophobicContact CE2-CD2 3.36Å
143I94.3Very high94.1Very high5 Ų525.1 Ų25.13%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-117.4116.8178.3-59.7176.2000108.3L114 E116 R125 I128 I129 V141L114-I143 HydrophobicContact CB-CG1 4.42Å; L114-I143 WeakPolarHBondContact O-CA 3.36Å; E116-I143 HydrophobicContact CB-CG2 4.07Å; E116-I143 HydrophobicContact CG-CG2 3.73Å; R125-I143 HydrophobicContact CG-CD1 3.73Å; I128-I143 HydrophobicContact CB-CD1 4.22Å; I128-I143 HydrophobicContact CG2-CD1 3.83Å; I129-I143 HydrophobicContact CD1-CD1 3.56Å; I129-I143 HydrophobicContact CD1-CG1 4.13Å; I129-I143 HydrophobicContact CG1-CD1 3.76Å; V141-I143 HydrophobicContact CG1-CG1 4.48Å
144A92.8Very high93.8Very high5 Ų528.4 Ų28.44%0.04114%0.144CC..EExtended strand (participates in β ladder)trans-110.7142.1-176.900000111.8L113 L114 T115 E116 Y142 L149L113-A144 HydrophobicContact CD2-CB 4.19Å; L114-A144 PolarHBondContact O-N 3.01Å; T115-A144 CarbonylContact C-O 3.57Å; T115-A144 VanDerWaalsContact CA-O 3.31Å; T115-A144 WeakPolarHBondContact CA-O 3.26Å; E116-A144 PolarHBondContact N-O 2.91Å; Y142-A144 HydrophobicContact CD1-CB 4.1Å; Y142-A144 HydrophobicContact CE1-CB 3.8Å; A144-L149 HydrophobicContact CB-CD1 3.68Å; A144-L149 HydrophobicContact CB-CD2 3.78Å; A144-L149 HydrophobicContact CB-CG 3.76Å
145I91.8Very high93.6Very high37 Ų3726.5 Ų26.519%0.1915%0.153CC..EExtended strand (participates in β ladder)trans-74.5129.4173.3-59.7172.9000109E116 A147 V148 L149 S179E116-I145 HydrophobicContact CG-CG1 4.47Å; I145-A147 VanDerWaalsContact C-N 3.32Å; I145-A147 HydrophobicContact CG2-CB 4.45Å; I145-A147 PolarHBondContact O-N 2.89Å; I145-V148 HydrophobicContact CB-CB 4.5Å; I145-V148 HydrophobicContact CB-CG2 4.1Å; I145-V148 HydrophobicContact CG2-CG2 4.39Å; I145-V148 PolarHBondContact O-N 2.81Å; I145-V148 VanDerWaalsContact O-N 3.11Å; I145-L149 PolarHBondContact O-N 3.47Å; I145-S179 WeakPolarHBondContact CD1-OG 3.45Å
146Q93.4Very high93.5Very high17 Ų1724 Ų248%0.07914%0.137CC..Hα-helixtrans-51.4-46.9-177-74.4173.1-21.600113.2D12 E116 V148 L149 T150 V359D12-Q146 PolarHBondContact OD1-NE2 3.35Å; E116-Q146 VanDerWaalsContact O-CG 3.25Å; E116-Q146 WeakPolarHBondContact O-CG 3.25Å; E116-Q146 PolarHBondContact O-N 3.01Å; Q146-V148 PolarHBondContact O-N 3.47Å; Q146-L149 PolarHBondContact O-N 2.95Å; Q146-T150 PolarHBondContact O-N 3.49Å; Q146-T150 VanDerWaalsContact O-N 3.12Å; Q146-T150 PolarHBondContact O-OG1 2.89Å; Q146-V359 HydrophobicContact CB-CG1 4.13Å; Q146-V359 HydrophobicContact CB-CG2 4Å; Q146-V359 HydrophobicContact CG-CG1 3.74Å; Q146-V359 HydrophobicContact CG-CG2 4.29Å
147A92.4Very high93.3Very high2 Ų228 Ų282%0.01716%0.159CC..Hα-helixtrans-63.5-36.3-179.100000113.6I145 T150 L151 V161 C172 V174I145-A147 VanDerWaalsContact C-N 3.32Å; I145-A147 HydrophobicContact CG2-CB 4.45Å; I145-A147 PolarHBondContact O-N 2.89Å; A147-T150 VanDerWaalsContact C-OG1 3.24Å; A147-T150 VanDerWaalsContact CA-OG1 3.28Å; A147-T150 WeakPolarHBondContact CA-OG1 3.31Å; A147-T150 PolarHBondContact O-N 3.39Å; A147-T150 PolarHBondContact O-OG1 2.97Å; A147-L151 PolarHBondContact O-N 3.39Å; A147-V161 HydrophobicContact CB-CB 4.04Å; A147-V161 HydrophobicContact CB-CG1 4.39Å; A147-V161 HydrophobicContact CB-CG2 4.12Å; A147-V161 WeakPolarHBondContact O-CG2 3.43Å; A147-C172 HydrophobicContact CB-CB 3.52Å; A147-V174 HydrophobicContact CB-CG2 4.43Å
148V92.9Very high93.3Very high19 Ų1926.2 Ų26.212%0.11515%0.152CC..Hα-helixtrans-68.4-42.4178.7178.80000109.9I145 Q146 T150 L151 Y152 V174I145-V148 HydrophobicContact CB-CB 4.5Å; I145-V148 HydrophobicContact CB-CG2 4.1Å; I145-V148 HydrophobicContact CG2-CG2 4.39Å; I145-V148 PolarHBondContact O-N 2.81Å; I145-V148 VanDerWaalsContact O-N 3.11Å; Q146-V148 PolarHBondContact O-N 3.47Å; V148-T150 VanDerWaalsContact C-N 3.31Å; V148-T150 PolarHBondContact O-N 3.05Å; V148-L151 PolarHBondContact O-N 3.3Å; V148-Y152 HydrophobicContact CG1-CD1 4.43Å; V148-Y152 HydrophobicContact CG1-CD2 4.15Å; V148-Y152 HydrophobicContact CG1-CE1 3.97Å; V148-Y152 HydrophobicContact CG1-CE2 3.66Å; V148-Y152 PolarHBondContact O-N 2.71Å; V148-V174 HydrophobicContact CG2-CG1 4.35Å; V148-V174 HydrophobicContact CG2-CG2 4.31Å
149L94.4Very high93.3Very high1 Ų126.2 Ų26.21%0.00515%0.152CC..Hα-helixtrans-60.8-39.3176.4-66.3-178.6000112.5L113 T115 A144 I145 Q146 L151 Y152 A153 V359 G362 L366L113-L149 HydrophobicContact CD2-CD1 4.24Å; T115-L149 HydrophobicContact CG2-CD1 3.75Å; A144-L149 HydrophobicContact CB-CD1 3.68Å; A144-L149 HydrophobicContact CB-CD2 3.78Å; A144-L149 HydrophobicContact CB-CG 3.76Å; I145-L149 PolarHBondContact O-N 3.47Å; Q146-L149 PolarHBondContact O-N 2.95Å; L149-L151 PolarHBondContact O-N 3.44Å; L149-Y152 PolarHBondContact O-N 2.7Å; L149-A153 PolarHBondContact O-N 2.83Å; L149-V359 HydrophobicContact CD1-CG1 4.39Å; L149-G362 WeakPolarHBondContact O-CA 3.3Å; L149-L366 HydrophobicContact CD2-CB 4.27Å; L149-L366 HydrophobicContact CD2-CD2 3.57Å
150T94.7Very high93.5Very high0 Ų025.4 Ų25.40%015%0.145CC..Hα-helixtrans-64-39.8179.5440000112.7Q146 A147 V148 A153 V161 S309 M358 V359Q146-T150 PolarHBondContact O-N 3.49Å; Q146-T150 VanDerWaalsContact O-N 3.12Å; Q146-T150 PolarHBondContact O-OG1 2.89Å; A147-T150 VanDerWaalsContact C-OG1 3.24Å; A147-T150 VanDerWaalsContact CA-OG1 3.28Å; A147-T150 WeakPolarHBondContact CA-OG1 3.31Å; A147-T150 PolarHBondContact O-N 3.39Å; A147-T150 PolarHBondContact O-OG1 2.97Å; V148-T150 VanDerWaalsContact C-N 3.31Å; V148-T150 PolarHBondContact O-N 3.05Å; T150-A153 WeakPolarHBondContact O-CB 3.38Å; T150-A153 PolarHBondContact O-N 2.83Å; T150-V161 WeakPolarHBondContact OG1-CG1 3.18Å; T150-V161 WeakPolarHBondContact OG1-CG2 3.23Å; T150-S309 VanDerWaalsContact CG2-OG 3.32Å; T150-S309 WeakPolarHBondContact CG2-OG 3.25Å; T150-M358 HydrophobicContact CG2-CB 4.03Å; T150-M358 HydrophobicContact CG2-CG 4.15Å; T150-M358 HydrophobicContact CG2-SD 4.05Å; T150-V359 HydrophobicContact CG2-CB 4.34Å; T150-V359 HydrophobicContact CG2-CG2 3.51Å
151L93.9Very high93.6Very high0 Ų025.4 Ų25.40%015%0.145CC..Hα-helixtrans-70.1-40.1175.5-66.4-179.4000111.6A147 V148 L149 A153 Q154 G155 L156 V161 V174 V307A147-L151 PolarHBondContact O-N 3.39Å; V148-L151 PolarHBondContact O-N 3.3Å; L149-L151 PolarHBondContact O-N 3.44Å; L151-A153 PolarHBondContact O-N 2.97Å; L151-Q154 CarbonylContact O-C 3.57Å; L151-Q154 WeakPolarHBondContact O-CA 3.39Å; L151-Q154 PolarHBondContact O-N 3.19Å; L151-G155 PolarHBondContact O-N 2.78Å; L151-G155 VanDerWaalsContact O-N 3.16Å; L151-L156 CarbonylContact C-O 3.59Å; L151-L156 VanDerWaalsContact C-O 3.3Å; L151-L156 HydrophobicContact CB-CB 4.24Å; L151-L156 WeakPolarHBondContact CB-O 3.45Å; L151-L156 HydrophobicContact CD2-CB 4.36Å; L151-L156 HydrophobicContact CD2-CD1 4.43Å; L151-L156 PolarHBondContact O-N 3.12Å; L151-V161 HydrophobicContact CD1-CG2 4.06Å; L151-V161 HydrophobicContact CD2-CG2 3.67Å; L151-V161 HydrophobicContact CG-CG2 3.53Å; L151-V174 HydrophobicContact CD1-CB 3.42Å; L151-V174 VanDerWaalsContact CD1-CB 3.42Å; L151-V174 HydrophobicContact CD1-CG1 3.92Å; L151-V174 HydrophobicContact CD1-CG2 3.67Å; L151-V307 HydrophobicContact CD2-CB 3.95Å; L151-V307 HydrophobicContact CD2-CG2 3.53Å
152Y90.2Very high93.7Very high80 Ų8025.5 Ų25.531%0.31415%0.146SC..Hα-helixtrans-61-34.9175.7-71.9-2.2000112.4V148 L149 Q154 G155 L157 L366V148-Y152 HydrophobicContact CG1-CD1 4.43Å; V148-Y152 HydrophobicContact CG1-CD2 4.15Å; V148-Y152 HydrophobicContact CG1-CE1 3.97Å; V148-Y152 HydrophobicContact CG1-CE2 3.66Å; V148-Y152 PolarHBondContact O-N 2.71Å; L149-Y152 PolarHBondContact O-N 2.7Å; Y152-Q154 PolarHBondContact O-N 2.96Å; Y152-G155 PolarHBondContact O-N 2.91Å; Y152-L157 HydrophobicContact CD1-CD2 4.04Å; Y152-L157 HydrophobicContact CE1-CD2 3.48Å; Y152-L157 VanDerWaalsContact CE1-CD2 3.48Å; Y152-L366 HydrophobicContact CD2-CD1 4.39Å; Y152-L366 HydrophobicContact CD2-CD2 4.48Å
153A90.2Very high93.8Very high26 Ų2624.1 Ų24.122%0.21514%0.142CC..Hα-helixtrans-62-23.7174.100000113.3L149 T150 L151 M358L149-A153 PolarHBondContact O-N 2.83Å; T150-A153 WeakPolarHBondContact O-CB 3.38Å; T150-A153 PolarHBondContact O-N 2.83Å; L151-A153 PolarHBondContact O-N 2.97Å; A153-M358 HydrophobicContact CB-CG 3.81Å
154Q90.3Very high93.9Very high75 Ų7524.1 Ų24.135%0.3514%0.142SC..THydrogen-bonded Turntrans-98.2-0.6175.1-64.3-57-49.500113.2L151 Y152 L156 V307 P352 M358L151-Q154 CarbonylContact O-C 3.57Å; L151-Q154 WeakPolarHBondContact O-CA 3.39Å; L151-Q154 PolarHBondContact O-N 3.19Å; Y152-Q154 PolarHBondContact O-N 2.96Å; Q154-L156 VanDerWaalsContact C-N 3.28Å; Q154-L156 HydrophobicContact CB-CD1 4.17Å; Q154-L156 HydrophobicContact CB-CG 4.11Å; Q154-V307 HydrophobicContact CG-CG1 4.26Å; Q154-P352 VanDerWaalsContact CD-CG 3.47Å; Q154-P352 HydrophobicContact CG-CG 4.28Å; Q154-M358 HydrophobicContact CG-SD 4.25Å
155G90.2Very high93.9Very high67 Ų6725 Ų2569%0.69115%0.151SC*.THydrogen-bonded Turntrans70.424.2-173.500000113.6L151 Y152L151-G155 PolarHBondContact O-N 2.78Å; L151-G155 VanDerWaalsContact O-N 3.16Å; Y152-G155 PolarHBondContact O-N 2.91Å
156L93.3Very high94Very high28 Ų2824.3 Ų24.315%0.14715%0.148CC..  trans-103141.5177.1-61.6176.5000110.5L151 Q154 H305 V307L151-L156 CarbonylContact C-O 3.59Å; L151-L156 VanDerWaalsContact C-O 3.3Å; L151-L156 HydrophobicContact CB-CB 4.24Å; L151-L156 WeakPolarHBondContact CB-O 3.45Å; L151-L156 HydrophobicContact CD2-CB 4.36Å; L151-L156 HydrophobicContact CD2-CD1 4.43Å; L151-L156 PolarHBondContact O-N 3.12Å; Q154-L156 VanDerWaalsContact C-N 3.28Å; Q154-L156 HydrophobicContact CB-CD1 4.17Å; Q154-L156 HydrophobicContact CB-CG 4.11Å; L156-H305 HydrophobicContact CD1-CB 4.31Å; L156-V307 HydrophobicContact CD1-CG2 3.89Å
157L92.3Very high93.9Very high101 Ų10123.6 Ų23.653%0.52915%0.145SC..SBendtrans-105.6-24.9172.6-60.3-179.8000112.3Y152 E176 G177Y152-L157 HydrophobicContact CD1-CD2 4.04Å; Y152-L157 HydrophobicContact CE1-CD2 3.48Å; Y152-L157 VanDerWaalsContact CE1-CD2 3.48Å; L157-E176 PolarHBondContact O-N 2.81Å; L157-G177 PolarHBondContact O-N 3Å
158T95.5Very high93.9Very high22 Ų2224 Ų2414%0.13515%0.147CC..SBendtrans-124135.6-179.7-61.90000109.4V174 Y175 E176 E301 F302 H305T158-V174 CarbonylContact C-O 3.57Å; T158-V174 VanDerWaalsContact CA-O 3.3Å; T158-V174 WeakPolarHBondContact CA-O 3.27Å; T158-Y175 HydrophobicContact CG2-CD2 3.73Å; T158-Y175 HydrophobicContact CG2-CE2 4.31Å; T158-E176 PolarHBondContact OG1-N 3.08Å; T158-E301 HydrophobicContact CG2-CB 4.34Å; T158-E301 HydrophobicContact CG2-CG 3.76Å; T158-F302 HydrophobicContact CG2-CD1 4.18Å; T158-F302 HydrophobicContact CG2-CE1 3.87Å; T158-H305 WeakPolarHBondContact O-CB 3.3Å
159G96.8Very high94Very high0 Ų023.1 Ų23.10%014%0.142CC..EExtended strand (participates in β ladder)trans165.5-180-18000000112.7V174 H305G159-V174 PolarHBondContact N-O 2.78Å; G159-V174 PolarHBondContact O-N 2.87Å; G159-V174 VanDerWaalsContact O-O 3.11Å; G159-H305 CarbonylContact C-O 3.3Å; G159-H305 WeakPolarHBondContact CA-O 3.39Å
160V98Very high94.1Very high0 Ų023.4 Ų23.40%014%0.143CC..EExtended strand (participates in β ladder)trans-120.3121.6174.5-176.40000109I171 P173 L287 I291 F302 H305 I306 V307V160-I171 HydrophobicContact CG1-CG2 3.58Å; V160-P173 HydrophobicContact CG1-CG 4.47Å; V160-P173 HydrophobicContact CG2-CB 4.21Å; V160-P173 HydrophobicContact CG2-CG 4.38Å; V160-L287 HydrophobicContact CB-CD1 4.37Å; V160-L287 HydrophobicContact CG1-CD1 3.56Å; V160-I291 HydrophobicContact CG2-CD1 4.44Å; V160-I291 HydrophobicContact CG2-CG1 4.03Å; V160-F302 HydrophobicContact CG2-CB 3.59Å; V160-F302 HydrophobicContact CG2-CD1 3.7Å; V160-F302 HydrophobicContact CG2-CD2 4.18Å; V160-F302 HydrophobicContact CG2-CE1 4.42Å; V160-F302 HydrophobicContact CG2-CG 3.56Å; V160-H305 PolarHBondContact N-O 3Å; V160-I306 CarbonylContact O-C 3.46Å; V160-I306 WeakPolarHBondContact O-CA 3.31Å; V160-V307 PolarHBondContact O-N 2.97Å
161V97.7Very high94.2Very high1 Ų123.4 Ų23.41%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-93.5127.1178.1-178.10000109.4A147 T150 L151 D163 I171 C172 V307A147-V161 HydrophobicContact CB-CB 4.04Å; A147-V161 HydrophobicContact CB-CG1 4.39Å; A147-V161 HydrophobicContact CB-CG2 4.12Å; A147-V161 WeakPolarHBondContact O-CG2 3.43Å; T150-V161 WeakPolarHBondContact OG1-CG1 3.18Å; T150-V161 WeakPolarHBondContact OG1-CG2 3.23Å; L151-V161 HydrophobicContact CD1-CG2 4.06Å; L151-V161 HydrophobicContact CD2-CG2 3.67Å; L151-V161 HydrophobicContact CG-CG2 3.53Å; V161-D163 HydrophobicContact CG1-CB 4.11Å; V161-I171 WeakPolarHBondContact O-CA 3.5Å; V161-C172 PolarHBondContact N-O 2.79Å; V161-C172 PolarHBondContact O-N 2.71Å; V161-V307 WeakPolarHBondContact CA-O 3.43Å
162V97.8Very high94.3Very high3 Ų323.4 Ų23.42%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-101.695.8166.2-172.80000107.1T169 H170 I171 V283 L287 I306 V307 L308 S309V162-T169 HydrophobicContact CG1-CG2 4.48Å; V162-H170 WeakPolarHBondContact CA-O 3.41Å; V162-I171 HydrophobicContact CG1-CG1 4.42Å; V162-I171 HydrophobicContact CG2-CG1 4.41Å; V162-V283 HydrophobicContact CG1-CG2 3.83Å; V162-L287 HydrophobicContact CG2-CD1 4.04Å; V162-L287 HydrophobicContact CG2-CD2 3.77Å; V162-L287 HydrophobicContact CG2-CG 4.47Å; V162-I306 HydrophobicContact CG2-CG2 4.03Å; V162-V307 PolarHBondContact N-O 2.67Å; V162-L308 HydrophobicContact CB-CD2 3.82Å; V162-L308 HydrophobicContact CG1-CD2 4.38Å; V162-L308 HydrophobicContact CG2-CD2 4.13Å; V162-S309 PolarHBondContact O-N 2.9Å
163D96.1Very high94.6Very high18 Ų1819.6 Ų19.610%0.09613%0.128CC..EExtended strand (participates in β ladder)trans-99.9108.1179.3-172.350.4000109.8V161 T169 H170 S309 G310V161-D163 HydrophobicContact CG1-CB 4.11Å; D163-T169 CarbonylContact O-C 3.41Å; D163-T169 VanDerWaalsContact O-CA 3.27Å; D163-T169 WeakPolarHBondContact O-CA 3.46Å; D163-H170 PolarHBondContact N-O 2.76Å; D163-H170 PolarHBondContact O-N 3.14Å; D163-S309 WeakPolarHBondContact CA-O 3.36Å; D163-S309 VanDerWaalsContact OD1-C 3.28Å; D163-S309 VanDerWaalsContact OD1-CB 3.26Å; D163-S309 WeakPolarHBondContact OD1-CB 3.23Å; D163-S309 PolarHBondContact OD1-OG 3.31Å; D163-G310 PolarHBondContact OD1-N 2.93Å
164S96.6Very high94.9Very high5 Ų518.4 Ų18.44%0.03512%0.118CC..EExtended strand (participates in β ladder)trans-114.8103.8179.5-167.90000110.7T169 S309 G310 G311 S312S164-T169 WeakPolarHBondContact CB-OG1 3.08Å; S164-T169 PolarHBondContact OG-OG1 3.15Å; S164-S309 PolarHBondContact N-O 3.19Å; S164-G310 CarbonylContact O-C 3.6Å; S164-G310 WeakPolarHBondContact O-CA 3.23Å; S164-G311 PolarHBondContact O-N 2.81Å; S164-S312 WeakPolarHBondContact O-CB 3.26Å; S164-S312 PolarHBondContact O-N 3.41Å; S164-S312 VanDerWaalsContact OG-CB 3.31Å; S164-S312 WeakPolarHBondContact OG-CB 3.36Å
165G94.1Very high95.1Very high22 Ų2219.4 Ų19.423%0.22712%0.119CC..  trans-95.5-144.6-174.800000114.2V168 A190 G191 S312G165-V168 PolarHBondContact N-O 3.06Å; G165-A190 WeakPolarHBondContact O-CB 3.22Å; G165-G191 PolarHBondContact O-N 2.73Å; G165-S312 PolarHBondContact O-OG 2.81Å
166D93Very high95.2Very high24 Ų2422 Ų2213%0.12811%0.114CC..SBendtrans-85.5-45.2173.9-175.760000112.3G16 A190 G191 R192G16-D166 WeakPolarHBondContact CA-OD2 3.26Å; D166-A190 WeakPolarHBondContact O-CB 3.32Å; D166-G191 PolarHBondContact O-N 2.79Å; D166-G191 VanDerWaalsContact O-N 3.15Å; D166-R192 WeakPolarHBondContact O-CB 3.4Å; D166-R192 PolarHBondContact O-N 3.37Å; D166-R192 IonicContact OD2-CZ 2.79Å; D166-R192 IonicContact OD2-NE 2.79Å; D166-R192 PolarHBondContact OD2-NE 2.9Å; D166-R192 VanDerWaalsContact OD2-NE 3.09Å; D166-R192 IonicContact OD2-NH2 3.52Å; D166-R192 PolarHBondContact OD2-NH2 3.14Å
167G90.8Very high94.9Very high1 Ų121.3 Ų21.31%0.0111%0.113CC..SBendtrans-107-14.4-17400000115.9N81N81-G167 PolarHBondContact OD1-O 3.35Å; N81-G167 VanDerWaalsContact OD1-O 3.08Å
168V93.1Very high94.7Very high10 Ų1023.9 Ų23.96%0.06112%0.12CC..  trans-156150.5-174.3630000111.2N81 G165 H170 R186N81-V168 HydrophobicContact CB-CB 4.24Å; G165-V168 PolarHBondContact N-O 3.06Å; V168-H170 WeakPolarHBondContact CG1-CE1 3.39Å; V168-H170 VanDerWaalsContact CG2-CE1 3.49Å; V168-H170 WeakPolarHBondContact CG2-CE1 3.48Å; V168-R186 HydrophobicContact CG2-CG 3.46Å; V168-R186 VanDerWaalsContact CG2-CG 3.46Å
169T95.4Very high94.5Very high1 Ų124.2 Ų24.21%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-113.3128.7168.3-60.20000109.7V162 D163 S164 L187 I189 V283V162-T169 HydrophobicContact CG1-CG2 4.48Å; D163-T169 CarbonylContact O-C 3.41Å; D163-T169 VanDerWaalsContact O-CA 3.27Å; D163-T169 WeakPolarHBondContact O-CA 3.46Å; S164-T169 WeakPolarHBondContact CB-OG1 3.08Å; S164-T169 PolarHBondContact OG-OG1 3.15Å; T169-L187 PolarHBondContact N-O 3.18Å; T169-L187 PolarHBondContact O-N 2.96Å; T169-I189 WeakPolarHBondContact CB-O 3.36Å; T169-I189 PolarHBondContact OG1-O 3.47Å; T169-V283 HydrophobicContact CG2-CG2 4.23Å
170H95.3Very high94.3Very high7 Ų726 Ų263%0.03213%0.133CC..EExtended strand (participates in β ladder)trans-115.7141.3176.3-67.9104.6000111P118 V162 D163 V168P118-H170 HydrophobicContact CG-CB 4.08Å; V162-H170 WeakPolarHBondContact CA-O 3.41Å; D163-H170 PolarHBondContact N-O 2.76Å; D163-H170 PolarHBondContact O-N 3.14Å; V168-H170 WeakPolarHBondContact CG1-CE1 3.39Å; V168-H170 VanDerWaalsContact CG2-CE1 3.49Å; V168-H170 WeakPolarHBondContact CG2-CE1 3.48Å
171I97.2Very high93.9Very high0 Ų029.5 Ų29.50%016%0.155CC..EExtended strand (participates in β ladder)trans-114.1110.1166.3-66.8158.1000106.8V160 V161 V162 T184 R185 V283 L286 L287 T290V160-I171 HydrophobicContact CG1-CG2 3.58Å; V161-I171 WeakPolarHBondContact O-CA 3.5Å; V162-I171 HydrophobicContact CG1-CG1 4.42Å; V162-I171 HydrophobicContact CG2-CG1 4.41Å; I171-T184 WeakPolarHBondContact O-CA 3.31Å; I171-R185 PolarHBondContact N-O 3.48Å; I171-R185 PolarHBondContact O-N 3.44Å; I171-V283 HydrophobicContact CD1-CG2 4.46Å; I171-L286 HydrophobicContact CD1-CB 3.68Å; I171-L286 HydrophobicContact CD1-CD2 3.83Å; I171-L286 HydrophobicContact CD1-CG 3.62Å; I171-L287 HydrophobicContact CD1-CB 3.85Å; I171-L287 HydrophobicContact CG2-CD1 3.72Å; I171-T290 HydrophobicContact CG2-CG2 3.79Å
172C96.7Very high93.6Very high1 Ų135.9 Ų35.91%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-122.7106.2-172.7-169.20000110.4P118 A147 V161 T184P118-C172 HydrophobicContact CG-CB 4.28Å; A147-C172 HydrophobicContact CB-CB 3.52Å; V161-C172 PolarHBondContact N-O 2.79Å; V161-C172 PolarHBondContact O-N 2.71Å; C172-T184 HydrophobicContact CB-CG2 4.3Å; C172-T184 PolarHBondContact SG-OG1 2.9Å
173P96.9Very high93.5Very high0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-70.9136.2168.4-20.135.3000111V160 L180 L183 T290 F302V160-P173 HydrophobicContact CG1-CG 4.47Å; V160-P173 HydrophobicContact CG2-CB 4.21Å; V160-P173 HydrophobicContact CG2-CG 4.38Å; P173-L180 HydrophobicContact CB-CB 4.46Å; P173-L180 HydrophobicContact CB-CD1 4.21Å; P173-L180 PolarHBondContact O-N 3.18Å; P173-L183 HydrophobicContact CG-CB 3.91Å; P173-T290 HydrophobicContact CG-CG2 3.47Å; P173-T290 VanDerWaalsContact CG-CG2 3.47Å; P173-F302 HydrophobicContact CB-CE1 4.41Å; P173-F302 HydrophobicContact CB-CE2 4.2Å; P173-F302 HydrophobicContact CB-CZ 3.99Å
174V95.8Very high93.4Very high1 Ų136.1 Ų36.11%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-128.7132.9175.5-177.30000107.6A147 V148 L151 T158 G159 F178 F302A147-V174 HydrophobicContact CB-CG2 4.43Å; V148-V174 HydrophobicContact CG2-CG1 4.35Å; V148-V174 HydrophobicContact CG2-CG2 4.31Å; L151-V174 HydrophobicContact CD1-CB 3.42Å; L151-V174 VanDerWaalsContact CD1-CB 3.42Å; L151-V174 HydrophobicContact CD1-CG1 3.92Å; L151-V174 HydrophobicContact CD1-CG2 3.67Å; T158-V174 CarbonylContact C-O 3.57Å; T158-V174 VanDerWaalsContact CA-O 3.3Å; T158-V174 WeakPolarHBondContact CA-O 3.27Å; G159-V174 PolarHBondContact N-O 2.78Å; G159-V174 PolarHBondContact O-N 2.87Å; G159-V174 VanDerWaalsContact O-O 3.11Å; V174-F178 CarbonylContact C-O 3.42Å; V174-F178 WeakPolarHBondContact CA-O 3.2Å; V174-F302 WeakPolarHBondContact O-CE1 3.36Å
175Y94.9Very high93.4Very high95 Ų9541.4 Ų41.437%0.37321%0.205SC..EExtended strand (participates in β ladder)trans-127.1122.8178.5-174.9-98.3000109.3T158 G177 F178 T298T158-Y175 HydrophobicContact CG2-CD2 3.73Å; T158-Y175 HydrophobicContact CG2-CE2 4.31Å; Y175-G177 PolarHBondContact O-N 3.49Å; Y175-G177 VanDerWaalsContact O-N 3.14Å; Y175-F178 PolarHBondContact N-O 3.39Å; Y175-F178 PolarHBondContact O-N 2.95Å; Y175-T298 HydrophobicContact CD2-CG2 4Å; Y175-T298 HydrophobicContact CE2-CG2 3.77Å
176E92Very high93.3Very high123 Ų12344.9 Ų44.958%0.57521%0.212SC*.THydrogen-bonded Turntrans49.539.1-179.2-61.4-168.915900114.1L157 T158 F178L157-E176 PolarHBondContact O-N 2.81Å; T158-E176 PolarHBondContact OG1-N 3.08Å; E176-F178 VanDerWaalsContact C-N 3.31Å; E176-F178 WeakPolarHBondContact O-CD2 3.14Å; E176-F178 PolarHBondContact O-N 3.07Å
177G87Confident93.3Very high12 Ų1244.2 Ų44.212%0.12421%0.208CC..THydrogen-bonded Turntrans84.9-4.8-179.900000115.1L157 Y175L157-G177 PolarHBondContact O-N 3Å; Y175-G177 PolarHBondContact O-N 3.49Å; Y175-G177 VanDerWaalsContact O-N 3.14Å
178F88.6Confident93.3Very high156 Ų15648 Ų4868%0.68423%0.228SC*.EExtended strand (participates in β ladder)trans-100.5121.6176.1-60.5-80.9000111V174 Y175 E176V174-F178 CarbonylContact C-O 3.42Å; V174-F178 WeakPolarHBondContact CA-O 3.2Å; Y175-F178 PolarHBondContact N-O 3.39Å; Y175-F178 PolarHBondContact O-N 2.95Å; E176-F178 VanDerWaalsContact C-N 3.31Å; E176-F178 WeakPolarHBondContact O-CD2 3.14Å; E176-F178 PolarHBondContact O-N 3.07Å
179S91.3Very high93.4Very high28 Ų2847.5 Ų47.520%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-62.9145.2168.560.70000110.1I145 P181I145-S179 WeakPolarHBondContact CD1-OG 3.45Å; S179-P181 VanDerWaalsContact O-CD 3.25Å; S179-P181 WeakPolarHBondContact O-CD 3.4Å
180L92.2Very high93.4Very high39 Ų3947.4 Ų47.420%0.20423%0.225CC..  trans-103.494.5176.7-57.4179.2000110P173 H182 L183 T184 F302P173-L180 HydrophobicContact CB-CB 4.46Å; P173-L180 HydrophobicContact CB-CD1 4.21Å; P173-L180 PolarHBondContact O-N 3.18Å; L180-H182 VanDerWaalsContact C-N 3.32Å; L180-H182 PolarHBondContact O-N 3.24Å; L180-L183 HydrophobicContact CB-CB 4.3Å; L180-L183 HydrophobicContact CB-CD1 4.31Å; L180-L183 HydrophobicContact CD1-CD1 3.79Å; L180-L183 PolarHBondContact O-N 2.88Å; L180-T184 PolarHBondContact O-N 3.4Å; L180-T184 VanDerWaalsContact O-N 3.11Å; L180-T184 PolarHBondContact O-OG1 3.12Å; L180-F302 HydrophobicContact CD1-CZ 4.05Å
181P89.7Confident93.4Very high73 Ų7347.1 Ų47.147%0.47422%0.224SC..THydrogen-bonded Turntrans-63.5-36.4-173-2436.3000113M119 S179 L183 T184M119-P181 HydrophobicContact SD-CB 3.83Å; S179-P181 VanDerWaalsContact O-CD 3.25Å; S179-P181 WeakPolarHBondContact O-CD 3.4Å; P181-L183 PolarHBondContact O-N 2.84Å; P181-T184 PolarHBondContact O-N 3.48Å
182H91.3Very high93.2Very high135 Ų13548.7 Ų48.763%0.62523%0.23SC*.THydrogen-bonded Turntrans-68-21.5-178.664.2-82.4000113.7L180L180-H182 VanDerWaalsContact C-N 3.32Å; L180-H182 PolarHBondContact O-N 3.24Å
183L94.9Very high93.2Very high11 Ų1150.3 Ų50.36%0.05824%0.238CC..THydrogen-bonded Turntrans-99.3-14.1174.3-65.3176.1000113P173 L180 P181 R185 T290 A293 A294P173-L183 HydrophobicContact CG-CB 3.91Å; L180-L183 HydrophobicContact CB-CB 4.3Å; L180-L183 HydrophobicContact CB-CD1 4.31Å; L180-L183 HydrophobicContact CD1-CD1 3.79Å; L180-L183 PolarHBondContact O-N 2.88Å; P181-L183 PolarHBondContact O-N 2.84Å; L183-R185 PolarHBondContact O-N 3.45Å; L183-T290 WeakPolarHBondContact O-CG2 3.27Å; L183-A293 HydrophobicContact CD2-CB 3.72Å; L183-A294 HydrophobicContact CD1-CB 3.75Å
184T95.2Very high93.2Very high15 Ų1550.3 Ų50.39%0.09224%0.238CC..  trans-65127.8-178.5-63.90000110.1P118 M119 I171 C172 L180 P181P118-T184 HydrophobicContact CB-CG2 3.69Å; M119-T184 HydrophobicContact CG-CG2 4.2Å; I171-T184 WeakPolarHBondContact O-CA 3.31Å; C172-T184 HydrophobicContact CB-CG2 4.3Å; C172-T184 PolarHBondContact SG-OG1 2.9Å; L180-T184 PolarHBondContact O-N 3.4Å; L180-T184 VanDerWaalsContact O-N 3.11Å; L180-T184 PolarHBondContact O-OG1 3.12Å; P181-T184 PolarHBondContact O-N 3.48Å
185R95.1Very high93.2Very high115 Ų11550.3 Ų50.343%0.43424%0.238SC..EExtended strand (participates in β ladder)trans-116.1151.1177.6-60.7-56.3-176.9-152.8-1.6110.6I171 L183 L286 T290I171-R185 PolarHBondContact N-O 3.48Å; I171-R185 PolarHBondContact O-N 3.44Å; L183-R185 PolarHBondContact O-N 3.45Å; R185-L286 HydrophobicContact CB-CD1 3.87Å; R185-L286 HydrophobicContact CB-CD2 4.18Å; R185-L286 HydrophobicContact CB-CG 3.99Å; R185-L286 HydrophobicContact CG-CD1 4.13Å; R185-T290 HydrophobicContact CG-CG2 4.48Å; R185-T290 WeakPolarHBondContact CG-OG1 3.41Å
186R92.6Very high93.2Very high96 Ų9652 Ų5236%0.36224%0.244SC..EExtended strand (participates in β ladder)trans-126.1136.6-179.2177.7173.1158.3176.8-14.3109.2N81 V168 D188N81-R186 PolarHBondContact ND2-NH2 2.99Å; N81-R186 VanDerWaalsContact ND2-NH2 3.19Å; V168-R186 HydrophobicContact CG2-CG 3.46Å; V168-R186 VanDerWaalsContact CG2-CG 3.46Å; R186-D188 IonicContact CZ-OD1 3.52Å; R186-D188 IonicContact NE-OD1 3.23Å; R186-D188 PolarHBondContact NE-OD1 3.43Å; R186-D188 IonicContact NH2-OD1 3.41Å; R186-D188 PolarHBondContact NH2-OD1 2.82Å; R186-D188 IonicContact NH2-OD2 2.64Å
187L92.9Very high93.4Very high9 Ų947.4 Ų47.45%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-117.9120.6170.7-17968.8000107.7T169 I189 P273 V283 L286T169-L187 PolarHBondContact N-O 3.18Å; T169-L187 PolarHBondContact O-N 2.96Å; L187-I189 HydrophobicContact CD1-CD1 4.12Å; L187-I189 HydrophobicContact CD1-CG1 4.19Å; L187-I189 HydrophobicContact CD2-CB 4.15Å; L187-I189 HydrophobicContact CD2-CD1 4.47Å; L187-I189 HydrophobicContact CD2-CG1 4.49Å; L187-I189 HydrophobicContact CG-CB 3.99Å; L187-I189 HydrophobicContact CG-CD1 4.32Å; L187-I189 HydrophobicContact CG-CG1 4.04Å; L187-I189 PolarHBondContact O-N 2.98Å; L187-P273 HydrophobicContact CD1-CG 4.31Å; L187-V283 HydrophobicContact CD2-CB 4.39Å; L187-L286 HydrophobicContact CB-CD2 3.8Å
188D91.7Very high93.9Very high80 Ų8046.9 Ų46.943%0.42822%0.216SC..SBendtrans-79.647.5177.8-71.8-30.9000111.4R186R186-D188 IonicContact CZ-OD1 3.52Å; R186-D188 IonicContact NE-OD1 3.23Å; R186-D188 PolarHBondContact NE-OD1 3.43Å; R186-D188 IonicContact NH2-OD1 3.41Å; R186-D188 PolarHBondContact NH2-OD1 2.82Å; R186-D188 IonicContact NH2-OD2 2.64Å
189I94.5Very high94.2Very high0 Ų039.5 Ų39.50%018%0.183CC..  trans-138.4124.7174.6-53.1-178.6000107.7T169 L187 D193 L270 P273 I276 V278T169-I189 WeakPolarHBondContact CB-O 3.36Å; T169-I189 PolarHBondContact OG1-O 3.47Å; L187-I189 HydrophobicContact CD1-CD1 4.12Å; L187-I189 HydrophobicContact CD1-CG1 4.19Å; L187-I189 HydrophobicContact CD2-CB 4.15Å; L187-I189 HydrophobicContact CD2-CD1 4.47Å; L187-I189 HydrophobicContact CD2-CG1 4.49Å; L187-I189 HydrophobicContact CG-CB 3.99Å; L187-I189 HydrophobicContact CG-CD1 4.32Å; L187-I189 HydrophobicContact CG-CG1 4.04Å; L187-I189 PolarHBondContact O-N 2.98Å; I189-D193 WeakPolarHBondContact CA-OD2 3.38Å; I189-D193 HydrophobicContact CG2-CB 4.28Å; I189-L270 HydrophobicContact CG2-CD2 4.06Å; I189-P273 HydrophobicContact CD1-CB 3.53Å; I189-P273 HydrophobicContact CD1-CG 3.76Å; I189-I276 HydrophobicContact CD1-CD1 3.89Å; I189-I276 HydrophobicContact CD1-CG1 4.36Å; I189-I276 HydrophobicContact CG1-CD1 3.95Å; I189-I276 HydrophobicContact CG2-CD1 3.93Å; I189-V278 HydrophobicContact CD1-CB 3.99Å; I189-V278 HydrophobicContact CD1-CG1 3.92Å; I189-V278 HydrophobicContact CD1-CG2 4.4Å; I189-V278 HydrophobicContact CG1-CB 4.28Å; I189-V278 HydrophobicContact CG1-CG1 3.97Å; I189-V278 HydrophobicContact CG1-CG2 4.29Å
190A95.3Very high94.4Very high0 Ų042.7 Ų42.70%019%0.194CC..SBendtrans-154.5-156.2175.900000111.9G165 D166 R192 D193 I194G165-A190 WeakPolarHBondContact O-CB 3.22Å; D166-A190 WeakPolarHBondContact O-CB 3.32Å; A190-R192 VanDerWaalsContact C-N 3.28Å; A190-R192 PolarHBondContact O-N 2.8Å; A190-D193 PolarHBondContact N-OD2 2.84Å; A190-D193 PolarHBondContact O-N 3.46Å; A190-I194 VanDerWaalsContact O-CG1 3.29Å; A190-I194 WeakPolarHBondContact O-CG1 2.99Å; A190-I194 PolarHBondContact O-N 3.44Å; A190-I194 VanDerWaalsContact O-N 3.09Å
191G95.6Very high94.6Very high1 Ų141.5 Ų41.51%0.0119%0.188CC..Hα-helixtrans-57.9-36.2-172.100000114.5G165 D166 T195 K222 S312G165-G191 PolarHBondContact O-N 2.73Å; D166-G191 PolarHBondContact O-N 2.79Å; D166-G191 VanDerWaalsContact O-N 3.15Å; G191-T195 PolarHBondContact O-N 2.95Å; G191-T195 PolarHBondContact O-OG1 3.43Å; G191-K222 PolarHBondContact O-NZ 3.49Å; G191-S312 WeakPolarHBondContact CA-OG 3.25Å; G191-S312 PolarHBondContact N-OG 2.97Å; G191-S312 VanDerWaalsContact N-OG 3.12Å
192R93.8Very high94.8Very high33 Ų3338 Ų3813%0.12517%0.165CC..Hα-helixtrans-68.4-43.3179.8-176.9174-62.6-163.5-0.3111.5D166 A190 T195 R196 F215D166-R192 WeakPolarHBondContact O-CB 3.4Å; D166-R192 PolarHBondContact O-N 3.37Å; D166-R192 IonicContact OD2-CZ 2.79Å; D166-R192 IonicContact OD2-NE 2.79Å; D166-R192 PolarHBondContact OD2-NE 2.9Å; D166-R192 VanDerWaalsContact OD2-NE 3.09Å; D166-R192 IonicContact OD2-NH2 3.52Å; D166-R192 PolarHBondContact OD2-NH2 3.14Å; A190-R192 VanDerWaalsContact C-N 3.28Å; A190-R192 PolarHBondContact O-N 2.8Å; R192-T195 PolarHBondContact O-N 3.4Å; R192-R196 WeakPolarHBondContact O-CG 3.28Å; R192-R196 PolarHBondContact O-N 3.3Å; R192-F215 HydrophobicContact CB-CZ 4.46Å; R192-F215 HydrophobicContact CG-CE2 4.3Å; R192-F215 HydrophobicContact CG-CZ 3.87Å
193D95.4Very high95Very high35 Ų3535.7 Ų35.719%0.18716%0.157CC..Hα-helixtrans-68.2-40.4179.5-50.4-62.5000110.9I189 A190 T195 R196 Y197 I276I189-D193 WeakPolarHBondContact CA-OD2 3.38Å; I189-D193 HydrophobicContact CG2-CB 4.28Å; A190-D193 PolarHBondContact N-OD2 2.84Å; A190-D193 PolarHBondContact O-N 3.46Å; D193-T195 VanDerWaalsContact C-N 3.35Å; D193-T195 PolarHBondContact O-N 3.48Å; D193-R196 PolarHBondContact O-N 2.96Å; D193-Y197 WeakPolarHBondContact O-CB 3.29Å; D193-Y197 PolarHBondContact O-N 3.3Å; D193-I276 HydrophobicContact CB-CD1 4.04Å
194I97.1Very high94.9Very high0 Ų041.9 Ų41.90%019%0.189CC..Hα-helixtrans-62.7-42.3174.1-59.7163.6000110.7A190 Y197 L198 K222 A266 L270 Y315A190-I194 VanDerWaalsContact O-CG1 3.29Å; A190-I194 WeakPolarHBondContact O-CG1 2.99Å; A190-I194 PolarHBondContact O-N 3.44Å; A190-I194 VanDerWaalsContact O-N 3.09Å; I194-Y197 PolarHBondContact O-N 3.47Å; I194-L198 WeakPolarHBondContact O-CB 3.08Å; I194-L198 PolarHBondContact O-N 3.48Å; I194-K222 HydrophobicContact CB-CD 4.2Å; I194-K222 HydrophobicContact CG2-CD 3.8Å; I194-K222 HydrophobicContact CG2-CG 4.2Å; I194-A266 HydrophobicContact CG2-CB 4.11Å; I194-L270 HydrophobicContact CD1-CD1 3.78Å; I194-L270 HydrophobicContact CD1-CD2 4.05Å; I194-L270 HydrophobicContact CD1-CG 3.74Å; I194-L270 HydrophobicContact CG1-CG 4.46Å; I194-Y315 HydrophobicContact CD1-CE2 3.86Å
195T96.6Very high94.7Very high0 Ų045.6 Ų45.60%020%0.201CC..Hα-helixtrans-61-45.5174.7-58.90000110.9G191 R192 D193 Y197 L198 I199 F215 V218 R219 K222G191-T195 PolarHBondContact O-N 2.95Å; G191-T195 PolarHBondContact O-OG1 3.43Å; R192-T195 PolarHBondContact O-N 3.4Å; D193-T195 VanDerWaalsContact C-N 3.35Å; D193-T195 PolarHBondContact O-N 3.48Å; T195-Y197 VanDerWaalsContact C-N 3.3Å; T195-Y197 PolarHBondContact O-N 3.3Å; T195-L198 PolarHBondContact O-N 2.64Å; T195-I199 WeakPolarHBondContact O-CG1 3.26Å; T195-I199 PolarHBondContact O-N 3.03Å; T195-I199 VanDerWaalsContact O-N 3.08Å; T195-F215 HydrophobicContact CG2-CD1 4.5Å; T195-F215 HydrophobicContact CG2-CD2 3.84Å; T195-F215 HydrophobicContact CG2-CE1 4.23Å; T195-F215 HydrophobicContact CG2-CE2 3.51Å; T195-F215 HydrophobicContact CG2-CG 4.32Å; T195-F215 HydrophobicContact CG2-CZ 3.72Å; T195-V218 HydrophobicContact CG2-CB 4.37Å; T195-V218 HydrophobicContact CG2-CG1 4.29Å; T195-R219 HydrophobicContact CG2-CB 4.03Å; T195-K222 WeakPolarHBondContact OG1-CD 3.3Å; T195-K222 PolarHBondContact OG1-NZ 2.86Å; T195-K222 VanDerWaalsContact OG1-NZ 3.13Å
196R94.8Very high94.6Very high130 Ų13043.1 Ų43.149%0.49121%0.211SC..Hα-helixtrans-61.8-38.8177-71178.2-178.4178.9-1.4112.1R192 D193 I199 K200 F215R192-R196 WeakPolarHBondContact O-CG 3.28Å; R192-R196 PolarHBondContact O-N 3.3Å; D193-R196 PolarHBondContact O-N 2.96Å; R196-I199 WeakPolarHBondContact O-CB 3.38Å; R196-I199 PolarHBondContact O-N 2.72Å; R196-K200 PolarHBondContact O-N 3.3Å; R196-F215 HydrophobicContact CG-CE2 3.94Å
197Y96.5Very high94.6Very high28 Ų2841.6 Ų41.611%0.1121%0.206CC..Hα-helixtrans-68.8-41.1178.1-174.3-141.4000111.8D193 I194 T195 I199 K200 L201 E265 A266 A269 L275 I276D193-Y197 WeakPolarHBondContact O-CB 3.29Å; D193-Y197 PolarHBondContact O-N 3.3Å; I194-Y197 PolarHBondContact O-N 3.47Å; T195-Y197 VanDerWaalsContact C-N 3.3Å; T195-Y197 PolarHBondContact O-N 3.3Å; Y197-I199 VanDerWaalsContact C-N 3.3Å; Y197-I199 PolarHBondContact O-N 2.93Å; Y197-K200 HydrophobicContact CD2-CD 4.43Å; Y197-K200 WeakPolarHBondContact O-CA 3.28Å; Y197-K200 WeakPolarHBondContact O-CB 3.47Å; Y197-K200 PolarHBondContact O-N 3.48Å; Y197-L201 HydrophobicContact CD1-CD1 4.24Å; Y197-L201 HydrophobicContact CD2-CG 4.26Å; Y197-L201 HydrophobicContact CE1-CD1 3.96Å; Y197-L201 HydrophobicContact CE1-CG 4.46Å; Y197-L201 HydrophobicContact CE2-CD1 4.34Å; Y197-L201 HydrophobicContact CE2-CD2 3.9Å; Y197-L201 HydrophobicContact CE2-CG 3.96Å; Y197-L201 WeakPolarHBondContact O-CG 3.31Å; Y197-L201 PolarHBondContact O-N 2.99Å; Y197-E265 WeakPolarHBondContact CE1-O 3.4Å; Y197-A266 HydrophobicContact CD1-CB 4.46Å; Y197-A269 HydrophobicContact CD1-CB 3.94Å; Y197-A269 HydrophobicContact CE1-CB 4.29Å; Y197-L275 HydrophobicContact CE1-CB 4.21Å; Y197-L275 HydrophobicContact CE1-CD1 4.4Å; Y197-I276 HydrophobicContact CD1-CG2 3.85Å; Y197-I276 HydrophobicContact CD2-CG2 3.66Å; Y197-I276 HydrophobicContact CE1-CG2 4.42Å; Y197-I276 HydrophobicContact CE2-CG2 4.27Å; Y197-I276 HydrophobicContact CG-CG2 3.44Å; Y197-I276 VanDerWaalsContact CG-CG2 3.44Å
198L96.8Very high94.4Very high1 Ų145.8 Ų45.81%0.00524%0.242CC..Hα-helixtrans-59.4-40.3173.7-177.159.6000111.9I194 T195 K200 L201 L202 V218 K222 E262 A266I194-L198 WeakPolarHBondContact O-CB 3.08Å; I194-L198 PolarHBondContact O-N 3.48Å; T195-L198 PolarHBondContact O-N 2.64Å; L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 2.63Å; L198-L201 PolarHBondContact O-N 3.2Å; L198-L202 HydrophobicContact CD1-CD1 4.31Å; L198-L202 HydrophobicContact CD1-CG 4.18Å; L198-L202 HydrophobicContact CG-CD1 4.02Å; L198-L202 HydrophobicContact CG-CG 4.35Å; L198-L202 WeakPolarHBondContact O-CB 3.41Å; L198-L202 VanDerWaalsContact O-CG 3.26Å; L198-L202 WeakPolarHBondContact O-CG 3.27Å; L198-L202 PolarHBondContact O-N 3.45Å; L198-V218 HydrophobicContact CB-CG1 3.98Å; L198-V218 HydrophobicContact CD2-CG1 3.64Å; L198-V218 HydrophobicContact CG-CG1 3.72Å; L198-K222 HydrophobicContact CD2-CB 3.79Å; L198-K222 HydrophobicContact CD2-CG 4.48Å; L198-E262 HydrophobicContact CD1-CB 3.91Å; L198-A266 HydrophobicContact CB-CB 3.9Å; L198-A266 HydrophobicContact CD1-CB 4.01Å; L198-A266 HydrophobicContact CG-CB 4.47Å
199I95.8Very high94.3Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-57-46.2172.9-64.7169.1000110.5T195 R196 Y197 L201 L202 L203 F209 F215 V218T195-I199 WeakPolarHBondContact O-CG1 3.26Å; T195-I199 PolarHBondContact O-N 3.03Å; T195-I199 VanDerWaalsContact O-N 3.08Å; R196-I199 WeakPolarHBondContact O-CB 3.38Å; R196-I199 PolarHBondContact O-N 2.72Å; Y197-I199 VanDerWaalsContact C-N 3.3Å; Y197-I199 PolarHBondContact O-N 2.93Å; I199-L201 PolarHBondContact O-N 2.9Å; I199-L202 PolarHBondContact O-N 3.44Å; I199-L203 WeakPolarHBondContact O-CB 3.48Å; I199-L203 PolarHBondContact O-N 2.9Å; I199-F209 HydrophobicContact CG2-CB 4.01Å; I199-F215 HydrophobicContact CD1-CD2 4.07Å; I199-V218 HydrophobicContact CD1-CB 4.43Å; I199-V218 HydrophobicContact CG1-CB 3.83Å; I199-V218 HydrophobicContact CG1-CG1 3.68Å; I199-V218 HydrophobicContact CG1-CG2 3.91Å
200K94.9Very high93.8Very high95 Ų9547.3 Ų47.341%0.41325%0.249SC..Hα-helixtrans-62.4-42.4178.3-174.6-177.5177.1-173.80111.9R196 Y197 L198 L203 L204R196-K200 PolarHBondContact O-N 3.3Å; Y197-K200 HydrophobicContact CD2-CD 4.43Å; Y197-K200 WeakPolarHBondContact O-CA 3.28Å; Y197-K200 WeakPolarHBondContact O-CB 3.47Å; Y197-K200 PolarHBondContact O-N 3.48Å; L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 2.63Å; K200-L203 WeakPolarHBondContact O-CB 3.41Å; K200-L203 PolarHBondContact O-N 3.45Å; K200-L204 WeakPolarHBondContact O-CG 3.35Å; K200-L204 PolarHBondContact O-N 2.93Å; K200-L204 VanDerWaalsContact O-N 3.11Å
201L95.6Very high93Very high15 Ų1552 Ų528%0.07927%0.271CS..Hα-helixtrans-65.2-44.2177.6-67.5175000111.9Y197 L198 I199 L203 L204 R205 E262 E265 A266Y197-L201 HydrophobicContact CD1-CD1 4.24Å; Y197-L201 HydrophobicContact CD2-CG 4.26Å; Y197-L201 HydrophobicContact CE1-CD1 3.96Å; Y197-L201 HydrophobicContact CE1-CG 4.46Å; Y197-L201 HydrophobicContact CE2-CD1 4.34Å; Y197-L201 HydrophobicContact CE2-CD2 3.9Å; Y197-L201 HydrophobicContact CE2-CG 3.96Å; Y197-L201 WeakPolarHBondContact O-CG 3.31Å; Y197-L201 PolarHBondContact O-N 2.99Å; L198-L201 PolarHBondContact O-N 3.2Å; I199-L201 PolarHBondContact O-N 2.9Å; L201-L203 VanDerWaalsContact C-N 3.27Å; L201-L203 PolarHBondContact O-N 3.13Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.07Å; L201-R205 PolarHBondContact O-N 3.39Å; L201-R205 VanDerWaalsContact O-N 3.11Å; L201-E262 HydrophobicContact CB-CB 4.08Å; L201-E262 HydrophobicContact CB-CG 3.79Å; L201-E262 HydrophobicContact CD1-CB 4.19Å; L201-E265 HydrophobicContact CD1-CB 3.81Å; L201-A266 HydrophobicContact CD1-CB 4.04Å
202L95.2Very high92Very high0 Ų055.9 Ų55.90%030%0.298CS..Hα-helixtrans-63.4-34.3176-67.6171.1000112.1L198 I199 R205 G206 Y207 F209 V218 M221 V259L198-L202 HydrophobicContact CD1-CD1 4.31Å; L198-L202 HydrophobicContact CD1-CG 4.18Å; L198-L202 HydrophobicContact CG-CD1 4.02Å; L198-L202 HydrophobicContact CG-CG 4.35Å; L198-L202 WeakPolarHBondContact O-CB 3.41Å; L198-L202 VanDerWaalsContact O-CG 3.26Å; L198-L202 WeakPolarHBondContact O-CG 3.27Å; L198-L202 PolarHBondContact O-N 3.45Å; I199-L202 PolarHBondContact O-N 3.44Å; L202-R205 WeakPolarHBondContact O-CB 3.39Å; L202-R205 PolarHBondContact O-N 3.44Å; L202-G206 PolarHBondContact O-N 2.89Å; L202-Y207 HydrophobicContact CD2-CD2 4.13Å; L202-Y207 WeakPolarHBondContact O-CB 3.42Å; L202-Y207 PolarHBondContact O-N 3.28Å; L202-F209 HydrophobicContact CB-CD2 3.8Å; L202-F209 HydrophobicContact CB-CE2 4.09Å; L202-F209 HydrophobicContact CD1-CD2 3.94Å; L202-F209 HydrophobicContact CD1-CE2 3.79Å; L202-F209 HydrophobicContact CG-CE2 4.45Å; L202-V218 HydrophobicContact CD1-CG1 4.15Å; L202-V218 HydrophobicContact CD1-CG2 4.29Å; L202-M221 HydrophobicContact CD1-CE 4.19Å; L202-M221 HydrophobicContact CD1-SD 3.73Å; L202-V259 HydrophobicContact CD2-CG1 4.25Å; L202-V259 HydrophobicContact CD2-CG2 4.3Å
203L94.1Very high91.3Very high86 Ų8657.8 Ų57.845%0.4532%0.321SS..Hα-helixtrans-64.3-42.9173.8-172.268.2000111.9I199 K200 L201 R205 G206 Y207I199-L203 WeakPolarHBondContact O-CB 3.48Å; I199-L203 PolarHBondContact O-N 2.9Å; K200-L203 WeakPolarHBondContact O-CB 3.41Å; K200-L203 PolarHBondContact O-N 3.45Å; L201-L203 VanDerWaalsContact C-N 3.27Å; L201-L203 PolarHBondContact O-N 3.13Å; L203-R205 PolarHBondContact O-N 2.83Å; L203-G206 WeakPolarHBondContact O-CA 3.17Å; L203-G206 PolarHBondContact O-N 3.17Å; L203-Y207 WeakPolarHBondContact CA-O 3.37Å
204L92.8Very high90.8Very high141 Ų14158.3 Ų58.374%0.73832%0.323SS*.Hα-helixtrans-63.3-30.2175.3-67.7172.5000112.5K200 L201 G206K200-L204 WeakPolarHBondContact O-CG 3.35Å; K200-L204 PolarHBondContact O-N 2.93Å; K200-L204 VanDerWaalsContact O-N 3.11Å; L201-L204 WeakPolarHBondContact O-CB 3.37Å; L201-L204 PolarHBondContact O-N 3.07Å; L204-G206 PolarHBondContact O-N 2.89Å
205R91.3Very high90.4Very high93 Ų9359.2 Ų59.235%0.35133%0.327SS..THydrogen-bonded Turntrans-73.1-13.3172.8-162-179.4-175.5132-4.8113.4L201 L202 L203 Y207 K258 E262L201-R205 PolarHBondContact O-N 3.39Å; L201-R205 VanDerWaalsContact O-N 3.11Å; L202-R205 WeakPolarHBondContact O-CB 3.39Å; L202-R205 PolarHBondContact O-N 3.44Å; L203-R205 PolarHBondContact O-N 2.83Å; R205-Y207 HydrophobicContact CB-CD2 4.44Å; R205-Y207 HydrophobicContact CG-CE2 4.35Å; R205-K258 VanDerWaalsContact CZ-O 3.24Å; R205-K258 PolarHBondContact NE-O 3.05Å; R205-E262 VanDerWaalsContact CD-OE1 3.24Å; R205-E262 WeakPolarHBondContact CD-OE1 3.27Å; R205-E262 IonicContact CZ-OE1 2.64Å; R205-E262 IonicContact CZ-OE2 3.8Å; R205-E262 IonicContact NE-OE1 2.61Å; R205-E262 IonicContact NH1-OE1 3.61Å; R205-E262 PolarHBondContact NH1-OE1 3.36Å; R205-E262 IonicContact NH1-OE2 3.64Å; R205-E262 PolarHBondContact NH1-OE2 3.02Å
206G92.5Very high90Very high62 Ų6261.7 Ų61.764%0.63934%0.339SS*.THydrogen-bonded Turntrans1039.4179.400000115L202 L203 L204L202-G206 PolarHBondContact O-N 2.89Å; L203-G206 WeakPolarHBondContact O-CA 3.17Å; L203-G206 PolarHBondContact O-N 3.17Å; L204-G206 PolarHBondContact O-N 2.89Å
207Y92.6Very high89.8Confident64 Ų6456.4 Ų56.425%0.25132%0.321SS..  trans-89.6113.9172-61.3-56.3000110.7L202 L203 R205 F209 I257 K258L202-Y207 HydrophobicContact CD2-CD2 4.13Å; L202-Y207 WeakPolarHBondContact O-CB 3.42Å; L202-Y207 PolarHBondContact O-N 3.28Å; L203-Y207 WeakPolarHBondContact CA-O 3.37Å; R205-Y207 HydrophobicContact CB-CD2 4.44Å; R205-Y207 HydrophobicContact CG-CE2 4.35Å; Y207-F209 VanDerWaalsContact C-N 3.29Å; Y207-F209 HydrophobicContact CG-CE2 4.27Å; Y207-F209 PolarHBondContact O-N 3.08Å; Y207-I257 HydrophobicContact CD1-CB 4.42Å; Y207-I257 HydrophobicContact CD1-CG2 3.9Å; Y207-I257 HydrophobicContact CE1-CB 3.93Å; Y207-I257 HydrophobicContact CE1-CG2 3.72Å; Y207-I257 HydrophobicContact CE2-CB 3.99Å; Y207-I257 HydrophobicContact CE2-CG2 4.5Å; Y207-I257 HydrophobicContact CG-CG2 4.41Å; Y207-K258 WeakPolarHBondContact CE2-O 3.47Å; Y207-K258 PolarHBondContact OH-N 3.29Å
208A89.7Confident89.7Confident97 Ų9755.1 Ų55.180%0.80232%0.316SS*.  trans-76.873.9-177.600000112.4
209F88.6Confident89.6Confident23 Ų2356.4 Ų56.410%0.10132%0.321CS..  trans-87.6140.9172.1-72.6-67.2000111.9I199 L202 Y207 D214 V218 M221 L251 I257I199-F209 HydrophobicContact CG2-CB 4.01Å; L202-F209 HydrophobicContact CB-CD2 3.8Å; L202-F209 HydrophobicContact CB-CE2 4.09Å; L202-F209 HydrophobicContact CD1-CD2 3.94Å; L202-F209 HydrophobicContact CD1-CE2 3.79Å; L202-F209 HydrophobicContact CG-CE2 4.45Å; Y207-F209 VanDerWaalsContact C-N 3.29Å; Y207-F209 HydrophobicContact CG-CE2 4.27Å; Y207-F209 PolarHBondContact O-N 3.08Å; F209-D214 WeakPolarHBondContact CA-OD2 3.45Å; F209-D214 HydrophobicContact CB-CB 4.29Å; F209-D214 HydrophobicContact CD1-CB 3.6Å; F209-D214 HydrophobicContact CE1-CB 4.42Å; F209-D214 HydrophobicContact CG-CB 4.38Å; F209-V218 HydrophobicContact CD1-CG2 4.17Å; F209-V218 HydrophobicContact CE1-CG2 4.39Å; F209-V218 HydrophobicContact CG-CG2 4.22Å; F209-M221 HydrophobicContact CZ-CE 4.3Å; F209-L251 HydrophobicContact CE1-CD1 4.13Å; F209-L251 HydrophobicContact CE1-CD2 4.06Å; F209-L251 HydrophobicContact CZ-CD1 4Å; F209-L251 HydrophobicContact CZ-CD2 3.91Å; F209-I257 HydrophobicContact CE2-CD1 4.15Å; F209-I257 HydrophobicContact CZ-CD1 4.01Å
210N84.9Confident89.4Confident89 Ų8960 Ų6048%0.47634%0.339SS..  trans-92.1135.3172.5-171.5-57.5000110.7S212 A213 D214N210-S212 PolarHBondContact O-N 2.68Å; N210-S212 VanDerWaalsContact O-N 3.14Å; N210-S212 PolarHBondContact OD1-N 2.68Å; N210-A213 HydrophobicContact CB-CB 4.22Å; N210-D214 PolarHBondContact N-OD2 2.77Å; N210-D214 PolarHBondContact O-N 2.97Å
211H78.6Confident89.4Confident99 Ų9955.5 Ų55.546%0.45832%0.319SS..THydrogen-bonded Turntrans-58-26.3179.8-72.1-69.2000115.1F215H211-F215 WeakPolarHBondContact O-CB 3.43Å
212S75Confident89.5Confident83 Ų8355.1 Ų55.158%0.5832%0.317SS*.THydrogen-bonded Turntrans-102.7-49.8-176.3-62.90000112.8N210N210-S212 PolarHBondContact O-N 2.68Å; N210-S212 VanDerWaalsContact O-N 3.14Å; N210-S212 PolarHBondContact OD1-N 2.68Å
213A77.9Confident89.5Confident73 Ų7360 Ų6060%0.60334%0.339SS*.THydrogen-bonded Turntrans-73.1-40-174.100000112.3N210N210-A213 HydrophobicContact CB-CB 4.22Å
214D86.1Confident89.6Confident46 Ų4663.3 Ų63.325%0.24635%0.35CS..SBendtrans-96.23.5-175.3-57-53.6000113.1F209 N210 E216 T217 V218F209-D214 WeakPolarHBondContact CA-OD2 3.45Å; F209-D214 HydrophobicContact CB-CB 4.29Å; F209-D214 HydrophobicContact CD1-CB 3.6Å; F209-D214 HydrophobicContact CE1-CB 4.42Å; F209-D214 HydrophobicContact CG-CB 4.38Å; N210-D214 PolarHBondContact N-OD2 2.77Å; N210-D214 PolarHBondContact O-N 2.97Å; D214-E216 PolarHBondContact O-N 3.06Å; D214-T217 PolarHBondContact O-N 3.09Å; D214-T217 VanDerWaalsContact O-N 3.16Å; D214-V218 WeakPolarHBondContact O-CG2 3.4Å; D214-V218 PolarHBondContact O-N 2.8Å
215F88.4Confident89.8Confident19 Ų1957.4 Ų57.48%0.08332%0.319CS..Hα-helixtrans-52.8-44.7-176.1-174.8-92.6000112.2R192 T195 R196 I199 H211 V218 R219R192-F215 HydrophobicContact CB-CZ 4.46Å; R192-F215 HydrophobicContact CG-CE2 4.3Å; R192-F215 HydrophobicContact CG-CZ 3.87Å; T195-F215 HydrophobicContact CG2-CD1 4.5Å; T195-F215 HydrophobicContact CG2-CD2 3.84Å; T195-F215 HydrophobicContact CG2-CE1 4.23Å; T195-F215 HydrophobicContact CG2-CE2 3.51Å; T195-F215 HydrophobicContact CG2-CG 4.32Å; T195-F215 HydrophobicContact CG2-CZ 3.72Å; R196-F215 HydrophobicContact CG-CE2 3.94Å; I199-F215 HydrophobicContact CD1-CD2 4.07Å; H211-F215 WeakPolarHBondContact O-CB 3.43Å; F215-V218 PolarHBondContact O-N 3.38Å; F215-R219 WeakPolarHBondContact O-CB 3.39Å; F215-R219 PolarHBondContact O-N 3.25Å
216E87.6Confident90.1Very high51 Ų5153.2 Ų53.224%0.23831%0.305CS..Hα-helixtrans-71.3-39.7-177-171.257.4-161.800112.1D214 V218 R219 M220D214-E216 PolarHBondContact O-N 3.06Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.04Å; E216-R219 VanDerWaalsContact CD-NE 3.28Å; E216-R219 WeakPolarHBondContact O-CB 3.37Å; E216-R219 PolarHBondContact O-N 3.41Å; E216-R219 IonicContact OE1-CZ 2.73Å; E216-R219 IonicContact OE1-NE 2.76Å; E216-R219 PolarHBondContact OE1-NE 3.16Å; E216-R219 IonicContact OE1-NH2 3.17Å; E216-R219 PolarHBondContact OE1-NH2 3.34Å; E216-R219 IonicContact OE2-CZ 2.96Å; E216-R219 IonicContact OE2-NE 3.93Å; E216-R219 PolarHBondContact OE2-NE 2.87Å; E216-M220 WeakPolarHBondContact O-CG 3.4Å; E216-M220 PolarHBondContact O-N 3.22Å
217T90.6Very high90.4Very high20 Ų2051.7 Ų51.712%0.12328%0.28CS..Hα-helixtrans-60.3-44.9173.7-55.60000111.1D214 M220 M221 L251 P252D214-T217 PolarHBondContact O-N 3.09Å; D214-T217 VanDerWaalsContact O-N 3.16Å; T217-M220 PolarHBondContact O-N 3.08Å; T217-M221 PolarHBondContact O-N 3.34Å; T217-L251 HydrophobicContact CG2-CD2 3.74Å; T217-P252 HydrophobicContact CG2-CG 4.19Å
218V94.5Very high90.7Very high0 Ų048.9 Ų48.90%027%0.269CS..Hα-helixtrans-73.3-30.1178.9-178.80000111.7T195 L198 I199 L202 F209 D214 F215 E216 M221 K222T195-V218 HydrophobicContact CG2-CB 4.37Å; T195-V218 HydrophobicContact CG2-CG1 4.29Å; L198-V218 HydrophobicContact CB-CG1 3.98Å; L198-V218 HydrophobicContact CD2-CG1 3.64Å; L198-V218 HydrophobicContact CG-CG1 3.72Å; I199-V218 HydrophobicContact CD1-CB 4.43Å; I199-V218 HydrophobicContact CG1-CB 3.83Å; I199-V218 HydrophobicContact CG1-CG1 3.68Å; I199-V218 HydrophobicContact CG1-CG2 3.91Å; L202-V218 HydrophobicContact CD1-CG1 4.15Å; L202-V218 HydrophobicContact CD1-CG2 4.29Å; F209-V218 HydrophobicContact CD1-CG2 4.17Å; F209-V218 HydrophobicContact CE1-CG2 4.39Å; F209-V218 HydrophobicContact CG-CG2 4.22Å; D214-V218 WeakPolarHBondContact O-CG2 3.4Å; D214-V218 PolarHBondContact O-N 2.8Å; F215-V218 PolarHBondContact O-N 3.38Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.04Å; V218-M221 HydrophobicContact CG2-CE 4.48Å; V218-M221 WeakPolarHBondContact O-CB 3.44Å; V218-M221 PolarHBondContact O-N 3.12Å; V218-K222 WeakPolarHBondContact O-CB 3.41Å; V218-K222 PolarHBondContact O-N 3.1Å
219R94.4Very high91Very high28 Ų2844.2 Ų44.211%0.10623%0.231CC..Hα-helixtrans-60.8-46.7170.5-172.7-167.569.672.21.8111.4T195 F215 E216 M221 K222 E223T195-R219 HydrophobicContact CG2-CB 4.03Å; F215-R219 WeakPolarHBondContact O-CB 3.39Å; F215-R219 PolarHBondContact O-N 3.25Å; E216-R219 VanDerWaalsContact CD-NE 3.28Å; E216-R219 WeakPolarHBondContact O-CB 3.37Å; E216-R219 PolarHBondContact O-N 3.41Å; E216-R219 IonicContact OE1-CZ 2.73Å; E216-R219 IonicContact OE1-NE 2.76Å; E216-R219 PolarHBondContact OE1-NE 3.16Å; E216-R219 IonicContact OE1-NH2 3.17Å; E216-R219 PolarHBondContact OE1-NH2 3.34Å; E216-R219 IonicContact OE2-CZ 2.96Å; E216-R219 IonicContact OE2-NE 3.93Å; E216-R219 PolarHBondContact OE2-NE 2.87Å; R219-M221 VanDerWaalsContact C-N 3.34Å; R219-K222 WeakPolarHBondContact O-CB 3.45Å; R219-K222 PolarHBondContact O-N 2.97Å; R219-E223 IonicContact CZ-OE1 2.61Å; R219-E223 IonicContact NH1-OE1 3Å; R219-E223 PolarHBondContact NH1-OE1 2.81Å; R219-E223 IonicContact NH1-OE2 3.18Å; R219-E223 PolarHBondContact NH1-OE2 2.86Å; R219-E223 PolarHBondContact O-N 3.08Å
220M92.9Very high91.3Very high76 Ų7648.9 Ų48.937%0.37425%0.248SC..Hα-helixtrans-63.5-40.7176.5-70-173.8-74.100111.8E216 T217 E223 K224E216-M220 WeakPolarHBondContact O-CG 3.4Å; E216-M220 PolarHBondContact O-N 3.22Å; T217-M220 PolarHBondContact O-N 3.08Å; M220-E223 PolarHBondContact O-N 2.76Å; M220-K224 WeakPolarHBondContact O-CB 3.25Å; M220-K224 PolarHBondContact O-N 3.27Å
221M95.1Very high91.8Very high1 Ų147.1 Ų47.11%0.00524%0.239CC..Hα-helixtrans-61.3-44.8175.3-172.7-169.4-5200112L202 F209 T217 V218 R219 E223 K224 L225 Y249 L251 I257 V259L202-M221 HydrophobicContact CD1-CE 4.19Å; L202-M221 HydrophobicContact CD1-SD 3.73Å; F209-M221 HydrophobicContact CZ-CE 4.3Å; T217-M221 PolarHBondContact O-N 3.34Å; V218-M221 HydrophobicContact CG2-CE 4.48Å; V218-M221 WeakPolarHBondContact O-CB 3.44Å; V218-M221 PolarHBondContact O-N 3.12Å; R219-M221 VanDerWaalsContact C-N 3.34Å; M221-E223 PolarHBondContact O-N 2.75Å; M221-K224 PolarHBondContact O-N 2.97Å; M221-L225 HydrophobicContact CG-CD1 3.93Å; M221-L225 WeakPolarHBondContact O-CB 3.48Å; M221-L225 PolarHBondContact O-N 2.87Å; M221-Y249 HydrophobicContact CB-CD2 4.4Å; M221-Y249 HydrophobicContact CB-CE1 4.44Å; M221-Y249 HydrophobicContact CB-CE2 4.12Å; M221-Y249 HydrophobicContact CE-CD1 3.98Å; M221-Y249 HydrophobicContact CE-CE1 4.27Å; M221-Y249 HydrophobicContact CE-CG 4.44Å; M221-Y249 HydrophobicContact CG-CD1 4.46Å; M221-Y249 HydrophobicContact CG-CD2 4.04Å; M221-Y249 HydrophobicContact CG-CE2 4.27Å; M221-Y249 HydrophobicContact CG-CG 4.14Å; M221-L251 HydrophobicContact CE-CD2 4.18Å; M221-I257 HydrophobicContact CE-CD1 3.33Å; M221-I257 HydrophobicContact CE-CG1 4.46Å; M221-I257 HydrophobicContact SD-CD1 3.86Å; M221-V259 HydrophobicContact CG-CG2 4.5Å; M221-V259 HydrophobicContact SD-CG2 3.77Å
222K96.9Very high92.5Very high7 Ų743.6 Ų43.63%0.0322%0.223CC..Hα-helixtrans-56.6-49.7174.4179.6-161.476.4174.10111.3G191 I194 T195 L198 V218 R219 K224 C226 Y315G191-K222 PolarHBondContact O-NZ 3.49Å; I194-K222 HydrophobicContact CB-CD 4.2Å; I194-K222 HydrophobicContact CG2-CD 3.8Å; I194-K222 HydrophobicContact CG2-CG 4.2Å; T195-K222 WeakPolarHBondContact OG1-CD 3.3Å; T195-K222 PolarHBondContact OG1-NZ 2.86Å; T195-K222 VanDerWaalsContact OG1-NZ 3.13Å; L198-K222 HydrophobicContact CD2-CB 3.79Å; L198-K222 HydrophobicContact CD2-CG 4.48Å; V218-K222 WeakPolarHBondContact O-CB 3.41Å; V218-K222 PolarHBondContact O-N 3.1Å; R219-K222 WeakPolarHBondContact O-CB 3.45Å; R219-K222 PolarHBondContact O-N 2.97Å; K222-K224 PolarHBondContact O-N 3.11Å; K222-C226 HydrophobicContact CG-CB 4.32Å; K222-C226 VanDerWaalsContact O-CB 3.23Å; K222-C226 WeakPolarHBondContact O-CB 3.33Å; K222-C226 PolarHBondContact O-N 2.99Å; K222-C226 VanDerWaalsContact O-N 3.13Å; K222-Y315 WeakPolarHBondContact CD-OH 3.48Å; K222-Y315 WeakPolarHBondContact CE-OH 3.37Å; K222-Y315 HydrophobicContact CG-CE1 4.13Å; K222-Y315 WeakPolarHBondContact CG-OH 3.4Å
223E95.4Very high93.5Very high101 Ų10146 Ų4647%0.47223%0.226SC..Hα-helixtrans-65.3-28.3-179.3-73.1178.4-167.900113.1R219 M220 M221R219-E223 IonicContact CZ-OE1 2.61Å; R219-E223 IonicContact NH1-OE1 3Å; R219-E223 PolarHBondContact NH1-OE1 2.81Å; R219-E223 IonicContact NH1-OE2 3.18Å; R219-E223 PolarHBondContact NH1-OE2 2.86Å; R219-E223 PolarHBondContact O-N 3.08Å; M220-E223 PolarHBondContact O-N 2.76Å; M221-E223 PolarHBondContact O-N 2.75Å
224K96.2Very high94.3Very high157 Ų15748 Ų4868%0.68322%0.222SC*.Hα-helixtrans-87.4-39.3-178.8-170.1178.4-177.9-179.20113.9M220 M221 K222 Y249M220-K224 WeakPolarHBondContact O-CB 3.25Å; M220-K224 PolarHBondContact O-N 3.27Å; M221-K224 PolarHBondContact O-N 2.97Å; K222-K224 PolarHBondContact O-N 3.11Å; K224-Y249 HydrophobicContact CD-CD2 4.28Å; K224-Y249 HydrophobicContact CD-CE2 3.9Å
225L96.9Very high94.7Very high16 Ų1647.3 Ų47.38%0.08422%0.217CC..Hα-helixtrans-113.5-26.5-165.6-61.1-176.4000114.9M221 E247 Y249 V259 R263M221-L225 HydrophobicContact CG-CD1 3.93Å; M221-L225 WeakPolarHBondContact O-CB 3.48Å; M221-L225 PolarHBondContact O-N 2.87Å; L225-E247 HydrophobicContact CD2-CB 4.2Å; L225-Y249 HydrophobicContact CD1-CD2 3.91Å; L225-Y249 HydrophobicContact CD1-CG 4.35Å; L225-Y249 HydrophobicContact CG-CD2 4.34Å; L225-V259 HydrophobicContact CD1-CB 4.17Å; L225-V259 HydrophobicContact CD1-CG2 4.02Å; L225-R263 HydrophobicContact CB-CG 4.31Å; L225-R263 PolarHBondContact O-NE 2.95Å; L225-R263 PolarHBondContact O-NH2 2.84Å
226C98.1Very high95Very high6 Ų650.6 Ų50.64%0.04123%0.233CC..  trans-76.7150.9-174.8-700000112.2K222 R263 P267 Y315K222-C226 HydrophobicContact CG-CB 4.32Å; K222-C226 VanDerWaalsContact O-CB 3.23Å; K222-C226 WeakPolarHBondContact O-CB 3.33Å; K222-C226 PolarHBondContact O-N 2.99Å; K222-C226 VanDerWaalsContact O-N 3.13Å; C226-R263 WeakPolarHBondContact CA-O 3.5Å; C226-R263 VanDerWaalsContact CB-O 3.23Å; C226-R263 WeakPolarHBondContact CB-O 3.39Å; C226-R263 PolarHBondContact SG-O 3.12Å; C226-P267 HydrophobicContact CB-CG 3.77Å; C226-Y315 HydrophobicContact CB-CD1 4.1Å; C226-Y315 HydrophobicContact CB-CE1 3.82Å
227Y97.9Very high95.4Very high30 Ų3054 Ų5412%0.11825%0.247CC..  trans-149165.7177.164.9-84.7000109.6E235 L245 R263 F264 P267Y227-E235 PolarHBondContact OH-OE2 3.26Å; Y227-L245 VanDerWaalsContact OH-CD2 3.23Å; Y227-L245 WeakPolarHBondContact OH-CD2 3.3Å; Y227-R263 HydrophobicContact CD1-CB 3.99Å; Y227-R263 HydrophobicContact CE1-CB 3.69Å; Y227-R263 PolarHBondContact N-O 2.91Å; Y227-R263 VanDerWaalsContact N-O 3.07Å; Y227-F264 HydrophobicContact CD2-CB 4.24Å; Y227-F264 HydrophobicContact CE1-CB 4.29Å; Y227-F264 HydrophobicContact CE2-CB 3.76Å; Y227-F264 WeakPolarHBondContact O-CA 3.42Å; Y227-F264 WeakPolarHBondContact OH-CD1 3.29Å; Y227-P267 WeakPolarHBondContact O-CG 3.46Å
228V98.2Very high95.6Very high4 Ų455.9 Ų55.92%0.02426%0.256CS..  trans-97.2122174.6169.80000108.6P267 F271 Y315 P316 L318 R321V228-P267 HydrophobicContact CG2-CB 3.8Å; V228-F271 HydrophobicContact CG1-CD2 4.46Å; V228-F271 HydrophobicContact CG1-CE2 3.63Å; V228-F271 HydrophobicContact CG1-CZ 4.09Å; V228-F271 HydrophobicContact CG2-CE2 4.2Å; V228-Y315 HydrophobicContact CG2-CD2 4.44Å; V228-Y315 HydrophobicContact CG2-CG 4.25Å; V228-P316 PolarHBondContact N-O 3.07Å; V228-L318 HydrophobicContact CB-CB 4.21Å; V228-L318 HydrophobicContact CG2-CB 3.94Å; V228-L318 HydrophobicContact CG2-CD1 4.15Å; V228-L318 HydrophobicContact CG2-CG 4.46Å; V228-R321 HydrophobicContact CG1-CB 3.59Å; V228-R321 HydrophobicContact CG1-CG 3.65Å
229G96.8Very high95.5Very high0 Ų057.6 Ų57.60%027%0.27CS..  trans-65131.8175.400000111.2R321G229-R321 PolarHBondContact O-NH1 2.95Å; G229-R321 VanDerWaalsContact O-NH1 3.09Å
230Y95.6Very high95.5Very high120 Ų12063.4 Ų63.447%0.47130%0.303SS..SBendtrans-66.6-60172.3-175.8-105.6000108.6R321 R324Y230-R321 WeakPolarHBondContact O-CD 3.35Å; Y230-R324 VanDerWaalsContact C-NH1 3.25Å; Y230-R324 HydrophobicContact CE2-CB 3.73Å; Y230-R324 HydrophobicContact CE2-CG 4.13Å; Y230-R324 PolarHBondContact O-NH1 2.91Å; Y230-R324 PolarHBondContact O-NH2 3Å; Y230-R324 WeakPolarHBondContact OH-CD 3.42Å
231N95.2Very high95.5Very high53 Ų5367 Ų6728%0.28332%0.318SS..SBendtrans-115.5109175.3-174.6-5.3000111.5E233 Q234 E235 R324N231-E233 VanDerWaalsContact C-N 3.34Å; N231-E233 PolarHBondContact O-N 3.24Å; N231-E233 PolarHBondContact OD1-N 2.63Å; N231-Q234 HydrophobicContact CB-CB 4.01Å; N231-Q234 WeakPolarHBondContact O-CB 3.47Å; N231-Q234 PolarHBondContact O-N 3.18Å; N231-Q234 VanDerWaalsContact O-N 3.08Å; N231-E235 WeakPolarHBondContact O-CG 3.33Å; N231-E235 PolarHBondContact O-N 2.94Å; N231-R324 VanDerWaalsContact CA-NH1 3.34Å
232I93.9Very high95.5Very high24 Ų2469.5 Ų69.512%0.12333%0.334CS..Hα-helixtrans-61-39-175.4-59.5-57.6000113Q234 E235 Q236 F264 E268I232-Q234 VanDerWaalsContact C-N 3.26Å; I232-Q234 PolarHBondContact O-N 3.08Å; I232-E235 PolarHBondContact O-N 2.79Å; I232-Q236 HydrophobicContact CG2-CG 4.22Å; I232-Q236 WeakPolarHBondContact O-CB 3.26Å; I232-Q236 VanDerWaalsContact O-CG 3.25Å; I232-Q236 WeakPolarHBondContact O-CG 3.36Å; I232-Q236 PolarHBondContact O-N 2.81Å; I232-F264 HydrophobicContact CD1-CD2 4.11Å; I232-E268 HydrophobicContact CD1-CG 4.18Å; I232-E268 WeakPolarHBondContact CD1-OE2 3.44Å; I232-E268 HydrophobicContact CG1-CG 4.4Å
233E94.3Very high95.3Very high135 Ų13574.6 Ų74.663%0.63137%0.366SS*.Hα-helixtrans-62.8-37177.4-64.1179.8-177.300111.9N231 K237N231-E233 VanDerWaalsContact C-N 3.34Å; N231-E233 PolarHBondContact O-N 3.24Å; N231-E233 PolarHBondContact OD1-N 2.63Å; E233-K237 WeakPolarHBondContact O-CG 3.47Å; E233-K237 PolarHBondContact O-N 2.91Å; E233-K237 VanDerWaalsContact O-N 3.12Å
234Q94.7Very high95.2Very high113 Ų11374.5 Ų74.553%0.52837%0.372SS..Hα-helixtrans-72.5-42.9177.6-174.1177.83.200111.3N231 I232 Q236 K237 L238N231-Q234 HydrophobicContact CB-CB 4.01Å; N231-Q234 WeakPolarHBondContact O-CB 3.47Å; N231-Q234 PolarHBondContact O-N 3.18Å; N231-Q234 VanDerWaalsContact O-N 3.08Å; I232-Q234 VanDerWaalsContact C-N 3.26Å; I232-Q234 PolarHBondContact O-N 3.08Å; Q234-Q236 VanDerWaalsContact C-N 3.31Å; Q234-Q236 PolarHBondContact O-N 3.02Å; Q234-K237 PolarHBondContact O-N 3.1Å; Q234-L238 HydrophobicContact CG-CD1 4.48Å; Q234-L238 WeakPolarHBondContact O-CG 3.14Å; Q234-L238 PolarHBondContact O-N 2.85Å
235E95.2Very high95Very high32 Ų3267.9 Ų67.915%0.1534%0.344CS..Hα-helixtrans-63.1-38.8176.6-63.3-63.1174.400111.6Y227 N231 I232 L238 A239 F264Y227-E235 PolarHBondContact OH-OE2 3.26Å; N231-E235 WeakPolarHBondContact O-CG 3.33Å; N231-E235 PolarHBondContact O-N 2.94Å; I232-E235 PolarHBondContact O-N 2.79Å; E235-L238 PolarHBondContact O-N 3.25Å; E235-A239 WeakPolarHBondContact O-CB 3.44Å; E235-A239 PolarHBondContact O-N 2.99Å; E235-F264 HydrophobicContact CB-CD1 3.97Å; E235-F264 HydrophobicContact CB-CD2 3.95Å; E235-F264 HydrophobicContact CB-CE1 3.76Å; E235-F264 HydrophobicContact CB-CE2 3.76Å; E235-F264 HydrophobicContact CB-CG 4.07Å; E235-F264 HydrophobicContact CB-CZ 3.67Å
236Q94.5Very high94.9Very high89 Ų8969.6 Ų69.642%0.41636%0.355SS..Hα-helixtrans-63.4-44174.2-75.5174.4-12.100111.9I232 Q234 A239 L240 F264I232-Q236 HydrophobicContact CG2-CG 4.22Å; I232-Q236 WeakPolarHBondContact O-CB 3.26Å; I232-Q236 VanDerWaalsContact O-CG 3.25Å; I232-Q236 WeakPolarHBondContact O-CG 3.36Å; I232-Q236 PolarHBondContact O-N 2.81Å; Q234-Q236 VanDerWaalsContact C-N 3.31Å; Q234-Q236 PolarHBondContact O-N 3.02Å; Q236-A239 PolarHBondContact O-N 3.18Å; Q236-L240 WeakPolarHBondContact O-CB 3.23Å; Q236-L240 VanDerWaalsContact O-CG 3.31Å; Q236-L240 WeakPolarHBondContact O-CG 3.42Å; Q236-L240 PolarHBondContact O-N 2.81Å; Q236-F264 HydrophobicContact CG-CE2 4.16Å; Q236-F264 HydrophobicContact CG-CZ 4.06Å
237K95.4Very high94.8Very high122 Ų12273.6 Ų73.653%0.5337%0.373SS..Hα-helixtrans-60.2-45.9173.7-75.6178.1-177.8178.60111.4E233 Q234 A239 L240 E241E233-K237 WeakPolarHBondContact O-CG 3.47Å; E233-K237 PolarHBondContact O-N 2.91Å; E233-K237 VanDerWaalsContact O-N 3.12Å; Q234-K237 PolarHBondContact O-N 3.1Å; K237-A239 VanDerWaalsContact C-N 3.3Å; K237-A239 PolarHBondContact O-N 3.09Å; K237-L240 PolarHBondContact O-N 3.34Å; K237-E241 VanDerWaalsContact O-CB 3.23Å; K237-E241 WeakPolarHBondContact O-CB 3.45Å; K237-E241 WeakPolarHBondContact O-CG 3.19Å; K237-E241 PolarHBondContact O-N 3.14Å
238L94.5Very high94.6Very high60 Ų6075.7 Ų75.731%0.31439%0.392SS..Hα-helixtrans-60.2-40.6176.5-72172.4000112Q234 E235 T242 L245Q234-L238 HydrophobicContact CG-CD1 4.48Å; Q234-L238 WeakPolarHBondContact O-CG 3.14Å; Q234-L238 PolarHBondContact O-N 2.85Å; E235-L238 PolarHBondContact O-N 3.25Å; L238-T242 CarbonylContact O-C 3.57Å; L238-T242 WeakPolarHBondContact O-CB 3.46Å; L238-T242 PolarHBondContact O-N 3.18Å; L238-T242 VanDerWaalsContact O-N 3.1Å; L238-T242 PolarHBondContact O-OG1 2.99Å; L238-L245 HydrophobicContact CB-CD1 4.09Å; L238-L245 HydrophobicContact CB-CG 4.45Å
239A93.6Very high94.5Very high35 Ų3576.8 Ų76.829%0.28940%0.396SS..Hα-helixtrans-67.4-35.8178.100000113.5E235 Q236 K237 L245 F264E235-A239 WeakPolarHBondContact O-CB 3.44Å; E235-A239 PolarHBondContact O-N 2.99Å; Q236-A239 PolarHBondContact O-N 3.18Å; K237-A239 VanDerWaalsContact C-N 3.3Å; K237-A239 PolarHBondContact O-N 3.09Å; A239-L245 HydrophobicContact CB-CD1 3.96Å; A239-F264 HydrophobicContact CB-CE1 4.11Å; A239-F264 HydrophobicContact CB-CZ 4.44Å
240L93.6Very high94.4Very high151 Ų15181 Ų8179%0.79142%0.422SS*.Hα-helixtrans-84.5-39.6-177.7-72.1167.6000112.8Q236 K237Q236-L240 WeakPolarHBondContact O-CB 3.23Å; Q236-L240 VanDerWaalsContact O-CG 3.31Å; Q236-L240 WeakPolarHBondContact O-CG 3.42Å; Q236-L240 PolarHBondContact O-N 2.81Å; K237-L240 PolarHBondContact O-N 3.34Å
241E94.6Very high94.2Very high151 Ų15176.3 Ų76.371%0.70641%0.405SS*.Hα-helixtrans-93.3-18.6-171.7-61.5175.4-168.500112.6K237K237-E241 VanDerWaalsContact O-CB 3.23Å; K237-E241 WeakPolarHBondContact O-CB 3.45Å; K237-E241 WeakPolarHBondContact O-CG 3.19Å; K237-E241 PolarHBondContact O-N 3.14Å
242T93.7Very high93.8Very high54 Ų5478.9 Ų78.933%0.33142%0.424SS..  trans-138.4168.6-174.381.20000112.9L238 V244L238-T242 CarbonylContact O-C 3.57Å; L238-T242 WeakPolarHBondContact O-CB 3.46Å; L238-T242 PolarHBondContact O-N 3.18Å; L238-T242 VanDerWaalsContact O-N 3.1Å; L238-T242 PolarHBondContact O-OG1 2.99Å; T242-V244 VanDerWaalsContact OG1-CG2 3.3Å; T242-V244 WeakPolarHBondContact OG1-CG2 3.42Å
243T92.4Very high93.5Very high113 Ų11382.2 Ų82.269%0.69344%0.442SS*.SBendtrans-103.96.5175.755.60000113.4L245 V246T243-L245 PolarHBondContact O-N 3.11Å; T243-L245 VanDerWaalsContact O-N 3.16Å; T243-V246 WeakPolarHBondContact O-CB 3.16Å; T243-V246 PolarHBondContact O-N 2.91Å
244V93.3Very high93.3Very high99 Ų9978.1 Ų78.160%0.644%0.437SS*.THydrogen-bonded Turntrans-63.6-25.1-172.6-550000113.2T242T242-V244 VanDerWaalsContact OG1-CG2 3.3Å; T242-V244 WeakPolarHBondContact OG1-CG2 3.42Å
245L92.4Very high93.1Very high19 Ų1981.4 Ų81.410%0.09944%0.444CS..THydrogen-bonded Turntrans-85.1-10.2178.6-62.2-175.4000113.2Y227 L238 A239 T243 E247 R263 F264Y227-L245 VanDerWaalsContact OH-CD2 3.23Å; Y227-L245 WeakPolarHBondContact OH-CD2 3.3Å; L238-L245 HydrophobicContact CB-CD1 4.09Å; L238-L245 HydrophobicContact CB-CG 4.45Å; A239-L245 HydrophobicContact CB-CD1 3.96Å; T243-L245 PolarHBondContact O-N 3.11Å; T243-L245 VanDerWaalsContact O-N 3.16Å; L245-E247 PolarHBondContact O-N 3.3Å; L245-R263 WeakPolarHBondContact O-CD 3.16Å; L245-R263 PolarHBondContact O-NH1 3.33Å; L245-F264 HydrophobicContact CD1-CD1 4.23Å; L245-F264 HydrophobicContact CD1-CE1 3.95Å
246V95.1Very high93.1Very high52 Ų5284.1 Ų84.132%0.31546%0.463SS..  trans-80113.3-175.2-176.60000110.3T243 K258 V259T243-V246 WeakPolarHBondContact O-CB 3.16Å; T243-V246 PolarHBondContact O-N 2.91Å; V246-K258 HydrophobicContact CG1-CB 3.9Å; V246-K258 HydrophobicContact CG1-CD 4.14Å; V246-K258 HydrophobicContact CG1-CG 4.27Å; V246-V259 WeakPolarHBondContact CA-O 3.45Å
247E95.5Very high93.1Very high90 Ų9080.2 Ų80.242%0.42145%0.445SS..EExtended strand (participates in β ladder)trans-112.5148175.8-74.8-67.9166.200110.9L225 L245 K258 V259L225-E247 HydrophobicContact CD2-CB 4.2Å; L245-E247 PolarHBondContact O-N 3.3Å; E247-K258 CarbonylContact O-C 3.51Å; E247-K258 WeakPolarHBondContact O-CA 3.37Å; E247-V259 PolarHBondContact N-O 3.31Å; E247-V259 PolarHBondContact O-N 3Å
248S95.1Very high93.1Very high73 Ų7380.1 Ų80.151%0.5144%0.444SS..EExtended strand (participates in β ladder)trans-95.8137176.9-60.20000110.9I257S248-I257 CarbonylContact C-O 3.6Å; S248-I257 WeakPolarHBondContact CA-O 3.47Å
249Y95.7Very high93.2Very high27 Ų2777.3 Ų77.311%0.10643%0.43CS..EExtended strand (participates in β ladder)trans-128.1128.1176.2-169.8-87.1000110.5M221 K224 L225 L251 V256 I257M221-Y249 HydrophobicContact CB-CD2 4.4Å; M221-Y249 HydrophobicContact CB-CE1 4.44Å; M221-Y249 HydrophobicContact CB-CE2 4.12Å; M221-Y249 HydrophobicContact CE-CD1 3.98Å; M221-Y249 HydrophobicContact CE-CE1 4.27Å; M221-Y249 HydrophobicContact CE-CG 4.44Å; M221-Y249 HydrophobicContact CG-CD1 4.46Å; M221-Y249 HydrophobicContact CG-CD2 4.04Å; M221-Y249 HydrophobicContact CG-CE2 4.27Å; M221-Y249 HydrophobicContact CG-CG 4.14Å; K224-Y249 HydrophobicContact CD-CD2 4.28Å; K224-Y249 HydrophobicContact CD-CE2 3.9Å; L225-Y249 HydrophobicContact CD1-CD2 3.91Å; L225-Y249 HydrophobicContact CD1-CG 4.35Å; L225-Y249 HydrophobicContact CG-CD2 4.34Å; Y249-L251 HydrophobicContact CD1-CD2 4.05Å; Y249-L251 HydrophobicContact CE1-CD2 4.19Å; Y249-V256 WeakPolarHBondContact O-CA 3.12Å; Y249-I257 PolarHBondContact N-O 3.11Å; Y249-I257 WeakPolarHBondContact O-CG1 3.39Å; Y249-I257 PolarHBondContact O-N 3.14Å
250T94.3Very high93.3Very high90 Ų9075.8 Ų75.855%0.55242%0.417SS*.EExtended strand (participates in β ladder)trans-89.9120.6176.2-49.30000109.9R255 V256T250-R255 WeakPolarHBondContact CA-O 3.38Å; T250-V256 HydrophobicContact CG2-CG2 4.38Å
251L91.7Very high93.3Very high21 Ų2169 Ų6911%0.1138%0.384CS..  trans-75162.5175.7-64.2-179.7000111.4F209 T217 M221 Y249 D253 G254 R255 I257F209-L251 HydrophobicContact CE1-CD1 4.13Å; F209-L251 HydrophobicContact CE1-CD2 4.06Å; F209-L251 HydrophobicContact CZ-CD1 4Å; F209-L251 HydrophobicContact CZ-CD2 3.91Å; T217-L251 HydrophobicContact CG2-CD2 3.74Å; M221-L251 HydrophobicContact CE-CD2 4.18Å; Y249-L251 HydrophobicContact CD1-CD2 4.05Å; Y249-L251 HydrophobicContact CE1-CD2 4.19Å; L251-D253 WeakPolarHBondContact CB-OD1 3.29Å; L251-D253 PolarHBondContact O-N 3.01Å; L251-D253 VanDerWaalsContact O-N 3.16Å; L251-G254 PolarHBondContact O-N 3.01Å; L251-R255 WeakPolarHBondContact CB-O 3.26Å; L251-R255 HydrophobicContact CD1-CB 4.23Å; L251-R255 PolarHBondContact N-O 3.25Å; L251-I257 HydrophobicContact CD1-CG2 3.81Å; L251-I257 HydrophobicContact CD2-CD1 4.32Å; L251-I257 HydrophobicContact CG-CG2 4.21Å
252P87.1Confident93.4Very high107 Ų10762.9 Ų62.970%0.69536%0.355SS*.THydrogen-bonded Turntrans-59-25.8179.1-25.235.2000114.4T217 G254T217-P252 HydrophobicContact CG2-CG 4.19Å; P252-G254 PolarHBondContact O-N 2.86Å
253D86.4Confident93.6Very high93 Ų9362 Ų6250%0.49735%0.346SS..THydrogen-bonded Turntrans-82.52.3176.169.9-12.9000113.5L251 R255L251-D253 WeakPolarHBondContact CB-OD1 3.29Å; L251-D253 PolarHBondContact O-N 3.01Å; L251-D253 VanDerWaalsContact O-N 3.16Å; D253-R255 VanDerWaalsContact C-N 3.34Å; D253-R255 WeakPolarHBondContact OD1-CB 3.45Å; D253-R255 WeakPolarHBondContact OD1-CG 3.4Å; D253-R255 PolarHBondContact OD1-N 2.75Å; D253-R255 WeakPolarHBondContact OD2-CD 3.36Å; D253-R255 WeakPolarHBondContact OD2-CG 3.13Å; D253-R255 IonicContact OD2-CZ 3.59Å; D253-R255 IonicContact OD2-NE 3.11Å; D253-R255 PolarHBondContact OD2-NE 3.18Å; D253-R255 VanDerWaalsContact OD2-NE 3.11Å; D253-R255 IonicContact OD2-NH1 3.99Å
254G90Very high93.8Very high50 Ų5056.7 Ų56.752%0.51531%0.313SS..SBendtrans85.7-4.3-178.900000114.7L251 P252L251-G254 PolarHBondContact O-N 3.01Å; P252-G254 PolarHBondContact O-N 2.86Å
255R91.9Very high94Very high181 Ų18155 Ų5568%0.68330%0.299SS*.  trans-70.2140.1176.8-65.8-179.9-172.7173.91.5110.6T250 L251 D253T250-R255 WeakPolarHBondContact CA-O 3.38Å; L251-R255 WeakPolarHBondContact CB-O 3.26Å; L251-R255 HydrophobicContact CD1-CB 4.23Å; L251-R255 PolarHBondContact N-O 3.25Å; D253-R255 VanDerWaalsContact C-N 3.34Å; D253-R255 WeakPolarHBondContact OD1-CB 3.45Å; D253-R255 WeakPolarHBondContact OD1-CG 3.4Å; D253-R255 PolarHBondContact OD1-N 2.75Å; D253-R255 WeakPolarHBondContact OD2-CD 3.36Å; D253-R255 WeakPolarHBondContact OD2-CG 3.13Å; D253-R255 IonicContact OD2-CZ 3.59Å; D253-R255 IonicContact OD2-NE 3.11Å; D253-R255 PolarHBondContact OD2-NE 3.18Å; D253-R255 VanDerWaalsContact OD2-NE 3.11Å; D253-R255 IonicContact OD2-NH1 3.99Å
256V94.4Very high94.2Very high90 Ų9054 Ų5455%0.54529%0.294SS..EExtended strand (participates in β ladder)trans-103.2122.1176.3-176.50000109.4Y249 T250Y249-V256 WeakPolarHBondContact O-CA 3.12Å; T250-V256 HydrophobicContact CG2-CG2 4.38Å
257I94.6Very high94.3Very high7 Ų751.6 Ų51.64%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-107.5159.7174.766.8162.5000110.6Y207 F209 M221 S248 Y249 L251 V259Y207-I257 HydrophobicContact CD1-CB 4.42Å; Y207-I257 HydrophobicContact CD1-CG2 3.9Å; Y207-I257 HydrophobicContact CE1-CB 3.93Å; Y207-I257 HydrophobicContact CE1-CG2 3.72Å; Y207-I257 HydrophobicContact CE2-CB 3.99Å; Y207-I257 HydrophobicContact CE2-CG2 4.5Å; Y207-I257 HydrophobicContact CG-CG2 4.41Å; F209-I257 HydrophobicContact CE2-CD1 4.15Å; F209-I257 HydrophobicContact CZ-CD1 4.01Å; M221-I257 HydrophobicContact CE-CD1 3.33Å; M221-I257 HydrophobicContact CE-CG1 4.46Å; M221-I257 HydrophobicContact SD-CD1 3.86Å; S248-I257 CarbonylContact C-O 3.6Å; S248-I257 WeakPolarHBondContact CA-O 3.47Å; Y249-I257 PolarHBondContact N-O 3.11Å; Y249-I257 WeakPolarHBondContact O-CG1 3.39Å; Y249-I257 PolarHBondContact O-N 3.14Å; L251-I257 HydrophobicContact CD1-CG2 3.81Å; L251-I257 HydrophobicContact CD2-CD1 4.32Å; L251-I257 HydrophobicContact CG-CG2 4.21Å; I257-V259 HydrophobicContact CD1-CG2 3.99Å; I257-V259 HydrophobicContact CG1-CG2 4.33Å
258K95.2Very high94.4Very high119 Ų11947.5 Ų47.552%0.51726%0.26SS..EExtended strand (participates in β ladder)trans-113.1125.1177.2-67.3-175.5179.8-177.20110R205 Y207 V246 E247R205-K258 VanDerWaalsContact CZ-O 3.24Å; R205-K258 PolarHBondContact NE-O 3.05Å; Y207-K258 WeakPolarHBondContact CE2-O 3.47Å; Y207-K258 PolarHBondContact OH-N 3.29Å; V246-K258 HydrophobicContact CG1-CB 3.9Å; V246-K258 HydrophobicContact CG1-CD 4.14Å; V246-K258 HydrophobicContact CG1-CG 4.27Å; E247-K258 CarbonylContact O-C 3.51Å; E247-K258 WeakPolarHBondContact O-CA 3.37Å
259V95.8Very high94.5Very high2 Ų244 Ų441%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-118.4127.4179.7-163.90000108.4L202 M221 L225 V246 E247 I257 E262 R263L202-V259 HydrophobicContact CD2-CG1 4.25Å; L202-V259 HydrophobicContact CD2-CG2 4.3Å; M221-V259 HydrophobicContact CG-CG2 4.5Å; M221-V259 HydrophobicContact SD-CG2 3.77Å; L225-V259 HydrophobicContact CD1-CB 4.17Å; L225-V259 HydrophobicContact CD1-CG2 4.02Å; V246-V259 WeakPolarHBondContact CA-O 3.45Å; E247-V259 PolarHBondContact N-O 3.31Å; E247-V259 PolarHBondContact O-N 3Å; I257-V259 HydrophobicContact CD1-CG2 3.99Å; I257-V259 HydrophobicContact CG1-CG2 4.33Å; V259-E262 HydrophobicContact CG1-CB 4.23Å; V259-R263 HydrophobicContact CB-CG 4.33Å; V259-R263 HydrophobicContact CG1-CG 3.76Å
260G95.7Very high94.6Very high2 Ų242.9 Ų42.92%0.02123%0.231CC..  trans-124.8-109.5-172.400000111.4E262 R263G260-E262 WeakPolarHBondContact CA-OE2 3.07Å; G260-E262 PolarHBondContact N-OE2 3.47Å; G260-E262 PolarHBondContact O-N 2.99Å; G260-R263 VanDerWaalsContact O-CB 3.25Å; G260-R263 WeakPolarHBondContact O-CB 3.27Å; G260-R263 WeakPolarHBondContact O-CD 3.14Å; G260-R263 WeakPolarHBondContact O-CG 3.49Å; G260-R263 PolarHBondContact O-N 3.02Å; G260-R263 VanDerWaalsContact O-N 3.14Å
261G95.1Very high94.7Very high10 Ų1039.1 Ų39.110%0.10321%0.207CC..THydrogen-bonded Turntrans-58.9-27.5-179.100000114.2R263 F264 E265G261-R263 PolarHBondContact O-N 3.42Å; G261-F264 WeakPolarHBondContact O-CD1 3.18Å; G261-F264 WeakPolarHBondContact O-CE1 3.46Å; G261-F264 PolarHBondContact O-N 2.94Å; G261-E265 WeakPolarHBondContact O-CG 3.45Å; G261-E265 PolarHBondContact O-N 3.06Å; G261-E265 VanDerWaalsContact O-N 3.08Å
262E96Very high95Very high21 Ų2141.5 Ų41.510%0.09822%0.218CC..Hα-helixtrans-59.8-21.8179.3-49.277.8-173.500112.1L198 L201 R205 V259 G260 F264 A266L198-E262 HydrophobicContact CD1-CB 3.91Å; L201-E262 HydrophobicContact CB-CB 4.08Å; L201-E262 HydrophobicContact CB-CG 3.79Å; L201-E262 HydrophobicContact CD1-CB 4.19Å; R205-E262 VanDerWaalsContact CD-OE1 3.24Å; R205-E262 WeakPolarHBondContact CD-OE1 3.27Å; R205-E262 IonicContact CZ-OE1 2.64Å; R205-E262 IonicContact CZ-OE2 3.8Å; R205-E262 IonicContact NE-OE1 2.61Å; R205-E262 IonicContact NH1-OE1 3.61Å; R205-E262 PolarHBondContact NH1-OE1 3.36Å; R205-E262 IonicContact NH1-OE2 3.64Å; R205-E262 PolarHBondContact NH1-OE2 3.02Å; V259-E262 HydrophobicContact CG1-CB 4.23Å; G260-E262 WeakPolarHBondContact CA-OE2 3.07Å; G260-E262 PolarHBondContact N-OE2 3.47Å; G260-E262 PolarHBondContact O-N 2.99Å; E262-F264 VanDerWaalsContact C-N 3.32Å; E262-F264 PolarHBondContact O-N 3.26Å; E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 2.78Å; E262-A266 VanDerWaalsContact O-N 3.11Å
263R97.3Very high95.4Very high37 Ų3736.6 Ų36.614%0.1419%0.186CC..Hα-helixtrans-60.2-38.6177.2-65.7171.262.1-164.51.4112.6L225 C226 Y227 L245 V259 G260 G261 P267L225-R263 HydrophobicContact CB-CG 4.31Å; L225-R263 PolarHBondContact O-NE 2.95Å; L225-R263 PolarHBondContact O-NH2 2.84Å; C226-R263 WeakPolarHBondContact CA-O 3.5Å; C226-R263 VanDerWaalsContact CB-O 3.23Å; C226-R263 WeakPolarHBondContact CB-O 3.39Å; C226-R263 PolarHBondContact SG-O 3.12Å; Y227-R263 HydrophobicContact CD1-CB 3.99Å; Y227-R263 HydrophobicContact CE1-CB 3.69Å; Y227-R263 PolarHBondContact N-O 2.91Å; Y227-R263 VanDerWaalsContact N-O 3.07Å; L245-R263 WeakPolarHBondContact O-CD 3.16Å; L245-R263 PolarHBondContact O-NH1 3.33Å; V259-R263 HydrophobicContact CB-CG 4.33Å; V259-R263 HydrophobicContact CG1-CG 3.76Å; G260-R263 VanDerWaalsContact O-CB 3.25Å; G260-R263 WeakPolarHBondContact O-CB 3.27Å; G260-R263 WeakPolarHBondContact O-CD 3.14Å; G260-R263 WeakPolarHBondContact O-CG 3.49Å; G260-R263 PolarHBondContact O-N 3.02Å; G260-R263 VanDerWaalsContact O-N 3.14Å; G261-R263 PolarHBondContact O-N 3.42Å; R263-P267 WeakPolarHBondContact O-CD 3.33Å
264F97.3Very high95.8Very high1 Ų137.7 Ų37.70%0.00419%0.188CC..Hα-helixtrans-102.1-27.3177.572.8-95.6000113.1Y227 I232 E235 Q236 A239 L245 G261 E262 A266 P267 E268Y227-F264 HydrophobicContact CD2-CB 4.24Å; Y227-F264 HydrophobicContact CE1-CB 4.29Å; Y227-F264 HydrophobicContact CE2-CB 3.76Å; Y227-F264 WeakPolarHBondContact O-CA 3.42Å; Y227-F264 WeakPolarHBondContact OH-CD1 3.29Å; I232-F264 HydrophobicContact CD1-CD2 4.11Å; E235-F264 HydrophobicContact CB-CD1 3.97Å; E235-F264 HydrophobicContact CB-CD2 3.95Å; E235-F264 HydrophobicContact CB-CE1 3.76Å; E235-F264 HydrophobicContact CB-CE2 3.76Å; E235-F264 HydrophobicContact CB-CG 4.07Å; E235-F264 HydrophobicContact CB-CZ 3.67Å; Q236-F264 HydrophobicContact CG-CE2 4.16Å; Q236-F264 HydrophobicContact CG-CZ 4.06Å; A239-F264 HydrophobicContact CB-CE1 4.11Å; A239-F264 HydrophobicContact CB-CZ 4.44Å; L245-F264 HydrophobicContact CD1-CD1 4.23Å; L245-F264 HydrophobicContact CD1-CE1 3.95Å; G261-F264 WeakPolarHBondContact O-CD1 3.18Å; G261-F264 WeakPolarHBondContact O-CE1 3.46Å; G261-F264 PolarHBondContact O-N 2.94Å; E262-F264 VanDerWaalsContact C-N 3.32Å; E262-F264 PolarHBondContact O-N 3.26Å; F264-A266 VanDerWaalsContact C-N 3.34Å; F264-A266 PolarHBondContact O-N 2.72Å; F264-P267 WeakPolarHBondContact O-CD 3.41Å; F264-E268 PolarHBondContact O-N 3.33Å
265E96.9Very high96Very high62 Ų6237.6 Ų37.629%0.2918%0.175SC..Hα-helixtrans-64.3-38.8176.7-68.5171.2176.800111.7Y197 L201 G261 E268Y197-E265 WeakPolarHBondContact CE1-O 3.4Å; L201-E265 HydrophobicContact CD1-CB 3.81Å; G261-E265 WeakPolarHBondContact O-CG 3.45Å; G261-E265 PolarHBondContact O-N 3.06Å; G261-E265 VanDerWaalsContact O-N 3.08Å; E265-E268 WeakPolarHBondContact O-CB 3.4Å; E265-E268 PolarHBondContact O-N 3.26Å
266A97.3Very high96.1Very high0 Ų030.6 Ų30.60%015%0.151CC..Hα-helixtrans-62.5-51.7-178.900000112.9I194 Y197 L198 L201 E262 F264 E268 A269I194-A266 HydrophobicContact CG2-CB 4.11Å; Y197-A266 HydrophobicContact CD1-CB 4.46Å; L198-A266 HydrophobicContact CB-CB 3.9Å; L198-A266 HydrophobicContact CD1-CB 4.01Å; L198-A266 HydrophobicContact CG-CB 4.47Å; L201-A266 HydrophobicContact CD1-CB 4.04Å; E262-A266 WeakPolarHBondContact O-CB 3.48Å; E262-A266 PolarHBondContact O-N 2.78Å; E262-A266 VanDerWaalsContact O-N 3.11Å; F264-A266 VanDerWaalsContact C-N 3.34Å; F264-A266 PolarHBondContact O-N 2.72Å; A266-E268 PolarHBondContact O-N 3.23Å; A266-A269 PolarHBondContact O-N 2.84Å
267P97.7Very high96.1Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-68-17.2175.7-23.236.9000114.6C226 Y227 V228 R263 F264 A269 L270 Y315C226-P267 HydrophobicContact CB-CG 3.77Å; Y227-P267 WeakPolarHBondContact O-CG 3.46Å; V228-P267 HydrophobicContact CG2-CB 3.8Å; R263-P267 WeakPolarHBondContact O-CD 3.33Å; F264-P267 WeakPolarHBondContact O-CD 3.41Å; P267-A269 PolarHBondContact O-N 3.27Å; P267-A269 VanDerWaalsContact O-N 3.16Å; P267-L270 WeakPolarHBondContact O-CB 3.33Å; P267-L270 PolarHBondContact O-N 3.26Å; P267-Y315 HydrophobicContact CB-CD1 4.39Å; P267-Y315 HydrophobicContact CB-CD2 4.31Å; P267-Y315 HydrophobicContact CB-CE1 4.41Å; P267-Y315 HydrophobicContact CB-CE2 4.36Å; P267-Y315 HydrophobicContact CB-CG 4.34Å; P267-Y315 HydrophobicContact CG-CD1 3.91Å; P267-Y315 HydrophobicContact CG-CE1 3.79Å; P267-Y315 HydrophobicContact CG-CG 4.35Å
268E97.6Very high96Very high5 Ų534.6 Ų34.62%0.02317%0.171CC..Hα-helixtrans-61.5-22.6177-169.758.3-162.700112.2I232 F264 E265 A266 L270 F271 Q272 L275 R321I232-E268 HydrophobicContact CD1-CG 4.18Å; I232-E268 WeakPolarHBondContact CD1-OE2 3.44Å; I232-E268 HydrophobicContact CG1-CG 4.4Å; F264-E268 PolarHBondContact O-N 3.33Å; E265-E268 WeakPolarHBondContact O-CB 3.4Å; E265-E268 PolarHBondContact O-N 3.26Å; A266-E268 PolarHBondContact O-N 3.23Å; E268-L270 PolarHBondContact O-N 3.09Å; E268-F271 CarbonylContact O-C 3.19Å; E268-F271 PolarHBondContact O-N 2.84Å; E268-Q272 HydrophobicContact CG-CB 4.45Å; E268-Q272 HydrophobicContact CG-CG 4.33Å; E268-Q272 PolarHBondContact O-N 2.78Å; E268-L275 HydrophobicContact CB-CD1 4.16Å; E268-L275 HydrophobicContact CG-CD1 4.06Å; E268-R321 IonicContact OE1-CZ 3.18Å; E268-R321 IonicContact OE1-NH1 2.65Å; E268-R321 PolarHBondContact OE1-NH1 3.43Å; E268-R321 IonicContact OE1-NH2 3.04Å; E268-R321 PolarHBondContact OE1-NH2 2.96Å; E268-R321 IonicContact OE2-CZ 2.67Å; E268-R321 IonicContact OE2-NH1 3.86Å; E268-R321 PolarHBondContact OE2-NH1 3.4Å; E268-R321 IonicContact OE2-NH2 3.3Å
269A96.9Very high95.7Very high0 Ų038 Ų380%019%0.189CC..THydrogen-bonded Turntrans-55.8-23.3171.800000113.9Y197 A266 P267 F271 Q272 I276Y197-A269 HydrophobicContact CD1-CB 3.94Å; Y197-A269 HydrophobicContact CE1-CB 4.29Å; A266-A269 PolarHBondContact O-N 2.84Å; P267-A269 PolarHBondContact O-N 3.27Å; P267-A269 VanDerWaalsContact O-N 3.16Å; A269-F271 VanDerWaalsContact C-N 3.32Å; A269-Q272 CarbonylContact O-C 3.54Å; A269-I276 HydrophobicContact CB-CD1 4.39Å; A269-I276 HydrophobicContact CB-CG1 4.42Å; A269-I276 HydrophobicContact CB-CG2 4.06Å
270L97.3Very high95.5Very high3 Ų340.7 Ų40.72%0.01622%0.217CC..THydrogen-bonded Turntrans-68.1-31.6172.7-71.9171.3000112.8I189 I194 P267 E268 G282 V283 Y315 L318I189-L270 HydrophobicContact CG2-CD2 4.06Å; I194-L270 HydrophobicContact CD1-CD1 3.78Å; I194-L270 HydrophobicContact CD1-CD2 4.05Å; I194-L270 HydrophobicContact CD1-CG 3.74Å; I194-L270 HydrophobicContact CG1-CG 4.46Å; P267-L270 WeakPolarHBondContact O-CB 3.33Å; P267-L270 PolarHBondContact O-N 3.26Å; E268-L270 PolarHBondContact O-N 3.09Å; L270-G282 CarbonylContact O-C 3.51Å; L270-G282 WeakPolarHBondContact O-CA 3.37Å; L270-V283 HydrophobicContact CB-CG1 4.28Å; L270-V283 PolarHBondContact O-N 3.47Å; L270-Y315 HydrophobicContact CD1-CD2 4.42Å; L270-Y315 HydrophobicContact CD1-CE2 4.29Å; L270-L318 HydrophobicContact CD1-CD1 4.17Å
271F97.4Very high95.5Very high10 Ų1042.8 Ų42.84%0.04423%0.229CC..THydrogen-bonded Turntrans-97-27.2-179.8-63.4-90.4000111.6V228 E268 A269 P273 G282 V283 A284 R321 L322 E325V228-F271 HydrophobicContact CG1-CD2 4.46Å; V228-F271 HydrophobicContact CG1-CE2 3.63Å; V228-F271 HydrophobicContact CG1-CZ 4.09Å; V228-F271 HydrophobicContact CG2-CE2 4.2Å; E268-F271 CarbonylContact O-C 3.19Å; E268-F271 PolarHBondContact O-N 2.84Å; A269-F271 VanDerWaalsContact C-N 3.32Å; F271-P273 WeakPolarHBondContact O-CD 3.35Å; F271-G282 VanDerWaalsContact O-CA 3.26Å; F271-G282 WeakPolarHBondContact O-CA 3.06Å; F271-V283 HydrophobicContact CD1-CG1 4.07Å; F271-V283 HydrophobicContact CE1-CG1 3.9Å; F271-V283 HydrophobicContact CE2-CG1 4.48Å; F271-V283 HydrophobicContact CG-CG1 4.45Å; F271-V283 HydrophobicContact CZ-CG1 4.11Å; F271-A284 HydrophobicContact CD1-CB 4.12Å; F271-A284 HydrophobicContact CE1-CB 4.15Å; F271-R321 HydrophobicContact CD1-CG 4.21Å; F271-R321 HydrophobicContact CE1-CG 3.55Å; F271-R321 HydrophobicContact CE2-CG 4.01Å; F271-R321 HydrophobicContact CZ-CB 4.15Å; F271-R321 HydrophobicContact CZ-CG 3.44Å; F271-R321 VanDerWaalsContact CZ-CG 3.44Å; F271-L322 HydrophobicContact CE1-CD2 3.92Å; F271-L322 HydrophobicContact CE1-CG 4.24Å; F271-L322 HydrophobicContact CZ-CD2 4.32Å; F271-L322 HydrophobicContact CZ-CG 4.25Å; F271-E325 WeakPolarHBondContact CD1-OE2 3.44Å
272Q96.4Very high95.5Very high72 Ų7242.5 Ų42.534%0.33623%0.226SC..  trans-126.677.4-179.5-67.9-171.8-26.400111.2E268 A269 H274 L275E268-Q272 HydrophobicContact CG-CB 4.45Å; E268-Q272 HydrophobicContact CG-CG 4.33Å; E268-Q272 PolarHBondContact O-N 2.78Å; A269-Q272 CarbonylContact O-C 3.54Å; Q272-H274 PolarHBondContact O-N 3.22Å; Q272-L275 HydrophobicContact CB-CD1 3.78Å; Q272-L275 HydrophobicContact CB-CG 3.89Å; Q272-L275 WeakPolarHBondContact O-CB 3.41Å; Q272-L275 WeakPolarHBondContact O-CG 3.21Å; Q272-L275 PolarHBondContact O-N 2.84Å; Q272-L275 VanDerWaalsContact O-N 3.08Å
273P95.9Very high95.6Very high3 Ų341.9 Ų41.92%0.01922%0.223CC..G310 helixtrans-50.1-32.9178.6-3439.5000115.4L187 I189 F271 L275 I276 V278L187-P273 HydrophobicContact CD1-CG 4.31Å; I189-P273 HydrophobicContact CD1-CB 3.53Å; I189-P273 HydrophobicContact CD1-CG 3.76Å; F271-P273 WeakPolarHBondContact O-CD 3.35Å; P273-L275 PolarHBondContact O-N 3.15Å; P273-L275 VanDerWaalsContact O-N 3.14Å; P273-I276 VanDerWaalsContact O-CG1 3.25Å; P273-I276 WeakPolarHBondContact O-CG1 3.37Å; P273-I276 PolarHBondContact O-N 3.12Å; P273-I276 VanDerWaalsContact O-N 3.15Å; P273-V278 CarbonylContact C-O 3.49Å; P273-V278 HydrophobicContact CB-CB 4.19Å; P273-V278 HydrophobicContact CB-CG1 4.31Å; P273-V278 VanDerWaalsContact CB-O 3.31Å; P273-V278 WeakPolarHBondContact CB-O 3.31Å; P273-V278 PolarHBondContact O-N 3.09Å; P273-V278 VanDerWaalsContact O-N 3.14Å
274H95.4Very high95.6Very high117 Ų11740.1 Ų40.154%0.54222%0.217SC..G310 helixtrans-61.5-22.6-178.663.576000113.5Q272 I276 N277Q272-H274 PolarHBondContact O-N 3.22Å; H274-I276 PolarHBondContact O-N 2.97Å; H274-N277 PolarHBondContact O-N 3.03Å; H274-N277 VanDerWaalsContact O-N 3.1Å
275L94.1Very high95.6Very high47 Ų4742.3 Ų42.325%0.24623%0.227CC..G310 helixtrans-61.4-26.8177.6-66.1177.3000113Y197 E268 Q272 P273Y197-L275 HydrophobicContact CE1-CB 4.21Å; Y197-L275 HydrophobicContact CE1-CD1 4.4Å; E268-L275 HydrophobicContact CB-CD1 4.16Å; E268-L275 HydrophobicContact CG-CD1 4.06Å; Q272-L275 HydrophobicContact CB-CD1 3.78Å; Q272-L275 HydrophobicContact CB-CG 3.89Å; Q272-L275 WeakPolarHBondContact O-CB 3.41Å; Q272-L275 WeakPolarHBondContact O-CG 3.21Å; Q272-L275 PolarHBondContact O-N 2.84Å; Q272-L275 VanDerWaalsContact O-N 3.08Å; P273-L275 PolarHBondContact O-N 3.15Å; P273-L275 VanDerWaalsContact O-N 3.14Å
276I94.3Very high95.7Very high34 Ų3440.5 Ų40.517%0.17422%0.219CC..G310 helixtrans-112.619.1178.158.7165.9000112.4I189 D193 Y197 A269 P273 H274 V278I189-I276 HydrophobicContact CD1-CD1 3.89Å; I189-I276 HydrophobicContact CD1-CG1 4.36Å; I189-I276 HydrophobicContact CG1-CD1 3.95Å; I189-I276 HydrophobicContact CG2-CD1 3.93Å; D193-I276 HydrophobicContact CB-CD1 4.04Å; Y197-I276 HydrophobicContact CD1-CG2 3.85Å; Y197-I276 HydrophobicContact CD2-CG2 3.66Å; Y197-I276 HydrophobicContact CE1-CG2 4.42Å; Y197-I276 HydrophobicContact CE2-CG2 4.27Å; Y197-I276 HydrophobicContact CG-CG2 3.44Å; Y197-I276 VanDerWaalsContact CG-CG2 3.44Å; A269-I276 HydrophobicContact CB-CD1 4.39Å; A269-I276 HydrophobicContact CB-CG1 4.42Å; A269-I276 HydrophobicContact CB-CG2 4.06Å; P273-I276 VanDerWaalsContact O-CG1 3.25Å; P273-I276 WeakPolarHBondContact O-CG1 3.37Å; P273-I276 PolarHBondContact O-N 3.12Å; P273-I276 VanDerWaalsContact O-N 3.15Å; H274-I276 PolarHBondContact O-N 2.97Å; I276-V278 HydrophobicContact CD1-CB 4.49Å; I276-V278 HydrophobicContact CD1-CG2 3.79Å; I276-V278 HydrophobicContact CG1-CB 4.22Å; I276-V278 HydrophobicContact CG1-CG2 3.8Å; I276-V278 PolarHBondContact O-N 3.22Å
277N93.4Very high95.7Very high141 Ų14140.5 Ų40.575%0.75422%0.219SC*.THydrogen-bonded Turntrans58.332.8-177.9-54.5-43.7000113.7H274H274-N277 PolarHBondContact O-N 3.03Å; H274-N277 VanDerWaalsContact O-N 3.1Å
278V92.3Very high95.7Very high41 Ų4140.9 Ų40.925%0.24822%0.221CC..  trans-97.6128.6172.7174.20000108.8I189 P273 I276I189-V278 HydrophobicContact CD1-CB 3.99Å; I189-V278 HydrophobicContact CD1-CG1 3.92Å; I189-V278 HydrophobicContact CD1-CG2 4.4Å; I189-V278 HydrophobicContact CG1-CB 4.28Å; I189-V278 HydrophobicContact CG1-CG1 3.97Å; I189-V278 HydrophobicContact CG1-CG2 4.29Å; P273-V278 CarbonylContact C-O 3.49Å; P273-V278 HydrophobicContact CB-CB 4.19Å; P273-V278 HydrophobicContact CB-CG1 4.31Å; P273-V278 VanDerWaalsContact CB-O 3.31Å; P273-V278 WeakPolarHBondContact CB-O 3.31Å; P273-V278 PolarHBondContact O-N 3.09Å; P273-V278 VanDerWaalsContact O-N 3.14Å; I276-V278 HydrophobicContact CD1-CB 4.49Å; I276-V278 HydrophobicContact CD1-CG2 3.79Å; I276-V278 HydrophobicContact CG1-CB 4.22Å; I276-V278 HydrophobicContact CG1-CG2 3.8Å; I276-V278 PolarHBondContact O-N 3.22Å
279E89.8Confident95.7Very high191 Ų19143.4 Ų43.489%0.89324%0.235SC*.  trans-74.4139.9173.6-65.1-175.1175.700110.6
280G90.4Very high95.8Very high58 Ų5843.5 Ų43.560%0.59824%0.235SC*.SBendtrans130.6-178.7177.300000113
281V96Very high95.8Very high46 Ų4643.3 Ų43.328%0.27923%0.234SC..  trans-97.4153.6178.4-61.30000110.4E285 L286V281-E285 HydrophobicContact CB-CB 4.01Å; V281-E285 HydrophobicContact CB-CG 3.84Å; V281-E285 HydrophobicContact CG1-CG 4.07Å; V281-E285 WeakPolarHBondContact CG1-OE2 3.41Å; V281-E285 HydrophobicContact CG2-CB 4.29Å; V281-E285 HydrophobicContact CG2-CG 4.07Å; V281-L286 HydrophobicContact CG2-CB 3.93Å; V281-L286 HydrophobicContact CG2-CD1 3.99Å
282G96.4Very high95.7Very high4 Ų444.9 Ų44.94%0.04124%0.241CC..  trans-65.1168.1176.800000113.7L270 F271 A284 E285 L286L270-G282 CarbonylContact O-C 3.51Å; L270-G282 WeakPolarHBondContact O-CA 3.37Å; F271-G282 VanDerWaalsContact O-CA 3.26Å; F271-G282 WeakPolarHBondContact O-CA 3.06Å; G282-A284 VanDerWaalsContact C-N 3.28Å; G282-A284 PolarHBondContact O-N 2.84Å; G282-E285 PolarHBondContact O-N 3.22Å; G282-L286 VanDerWaalsContact O-CB 3.31Å; G282-L286 WeakPolarHBondContact O-CB 3.18Å; G282-L286 PolarHBondContact O-N 2.96Å
283V97.5Very high95.7Very high7 Ų744 Ų444%0.04225%0.246CC..Hα-helixtrans-56-37.8-176.565.30000113.4V162 T169 I171 L187 L270 F271 L287 L322V162-V283 HydrophobicContact CG1-CG2 3.83Å; T169-V283 HydrophobicContact CG2-CG2 4.23Å; I171-V283 HydrophobicContact CD1-CG2 4.46Å; L187-V283 HydrophobicContact CD2-CB 4.39Å; L270-V283 HydrophobicContact CB-CG1 4.28Å; L270-V283 PolarHBondContact O-N 3.47Å; F271-V283 HydrophobicContact CD1-CG1 4.07Å; F271-V283 HydrophobicContact CE1-CG1 3.9Å; F271-V283 HydrophobicContact CE2-CG1 4.48Å; F271-V283 HydrophobicContact CG-CG1 4.45Å; F271-V283 HydrophobicContact CZ-CG1 4.11Å; V283-L287 WeakPolarHBondContact O-CB 3.47Å; V283-L287 PolarHBondContact O-N 3.32Å; V283-L322 HydrophobicContact CG1-CD2 3.98Å
284A97.8Very high95.8Very high0 Ų044 Ų440%025%0.247CC..Hα-helixtrans-68.6-47.9179.400000112.2F271 G282 L287 F288 L322 E325 L326F271-A284 HydrophobicContact CD1-CB 4.12Å; F271-A284 HydrophobicContact CE1-CB 4.15Å; G282-A284 VanDerWaalsContact C-N 3.28Å; G282-A284 PolarHBondContact O-N 2.84Å; A284-L287 PolarHBondContact O-N 3.32Å; A284-F288 PolarHBondContact O-N 3.24Å; A284-L322 HydrophobicContact CB-CD2 3.88Å; A284-E325 HydrophobicContact CB-CB 3.78Å; A284-E325 VanDerWaalsContact CB-CD 3.48Å; A284-E325 HydrophobicContact CB-CG 3.62Å; A284-L326 WeakPolarHBondContact O-CD2 2.94Å
285E97.6Very high95.7Very high48 Ų4844.3 Ų44.322%0.22425%0.253CS..Hα-helixtrans-68.2-38.4177.6178.6170.1-161.200111.5V281 G282 L287 F288 N289 L329 R333V281-E285 HydrophobicContact CB-CB 4.01Å; V281-E285 HydrophobicContact CB-CG 3.84Å; V281-E285 HydrophobicContact CG1-CG 4.07Å; V281-E285 WeakPolarHBondContact CG1-OE2 3.41Å; V281-E285 HydrophobicContact CG2-CB 4.29Å; V281-E285 HydrophobicContact CG2-CG 4.07Å; G282-E285 PolarHBondContact O-N 3.22Å; E285-L287 VanDerWaalsContact C-N 3.28Å; E285-L287 PolarHBondContact O-N 2.83Å; E285-F288 PolarHBondContact O-N 3.48Å; E285-N289 WeakPolarHBondContact O-CB 3.39Å; E285-N289 PolarHBondContact O-N 3.32Å; E285-N289 PolarHBondContact O-ND2 3.29Å; E285-L329 HydrophobicContact CB-CD1 4.11Å; E285-R333 IonicContact OE1-CZ 3.62Å; E285-R333 IonicContact OE1-NH1 3.29Å; E285-R333 PolarHBondContact OE1-NH1 3.45Å; E285-R333 IonicContact OE1-NH2 3.32Å; E285-R333 PolarHBondContact OE1-NH2 2.9Å
286L97.8Very high95.7Very high23 Ų2347.9 Ų47.912%0.1227%0.271CS..Hα-helixtrans-60.6-41.5174.4-167.659.7000111.1I171 R185 L187 V281 G282 T290I171-L286 HydrophobicContact CD1-CB 3.68Å; I171-L286 HydrophobicContact CD1-CD2 3.83Å; I171-L286 HydrophobicContact CD1-CG 3.62Å; R185-L286 HydrophobicContact CB-CD1 3.87Å; R185-L286 HydrophobicContact CB-CD2 4.18Å; R185-L286 HydrophobicContact CB-CG 3.99Å; R185-L286 HydrophobicContact CG-CD1 4.13Å; L187-L286 HydrophobicContact CB-CD2 3.8Å; V281-L286 HydrophobicContact CG2-CB 3.93Å; V281-L286 HydrophobicContact CG2-CD1 3.99Å; G282-L286 VanDerWaalsContact O-CB 3.31Å; G282-L286 WeakPolarHBondContact O-CB 3.18Å; G282-L286 PolarHBondContact O-N 2.96Å; L286-T290 WeakPolarHBondContact O-CB 3.47Å; L286-T290 PolarHBondContact O-N 3.41Å; L286-T290 PolarHBondContact O-OG1 3.27Å
287L98Very high95.7Very high0 Ų053.5 Ų53.50%030%0.301CS..Hα-helixtrans-65.9-46.4177175.658.5000111.5V160 V162 I171 V283 A284 E285 N289 T290 I291 I306 L326V160-L287 HydrophobicContact CB-CD1 4.37Å; V160-L287 HydrophobicContact CG1-CD1 3.56Å; V162-L287 HydrophobicContact CG2-CD1 4.04Å; V162-L287 HydrophobicContact CG2-CD2 3.77Å; V162-L287 HydrophobicContact CG2-CG 4.47Å; I171-L287 HydrophobicContact CD1-CB 3.85Å; I171-L287 HydrophobicContact CG2-CD1 3.72Å; V283-L287 WeakPolarHBondContact O-CB 3.47Å; V283-L287 PolarHBondContact O-N 3.32Å; A284-L287 PolarHBondContact O-N 3.32Å; E285-L287 VanDerWaalsContact C-N 3.28Å; E285-L287 PolarHBondContact O-N 2.83Å; L287-N289 PolarHBondContact O-N 3.26Å; L287-T290 PolarHBondContact O-N 3.08Å; L287-I291 HydrophobicContact CD1-CD1 3.89Å; L287-I291 HydrophobicContact CD1-CG1 4.29Å; L287-I291 HydrophobicContact CG-CD1 4.21Å; L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 2.95Å; L287-I306 HydrophobicContact CD2-CD1 4.28Å; L287-I306 HydrophobicContact CD2-CG2 3.97Å; L287-L326 HydrophobicContact CB-CD2 4.49Å; L287-L326 HydrophobicContact CD2-CD1 3.79Å; L287-L326 HydrophobicContact CD2-CD2 4.41Å; L287-L326 HydrophobicContact CG-CD1 4.37Å; L287-L326 HydrophobicContact CG-CD2 4.28Å
288F98.1Very high95.8Very high8 Ų847.7 Ų47.74%0.03527%0.271CS..Hα-helixtrans-57.5-50.6175176.7-94.9000111.7A284 E285 T290 I291 Q292 Y303 L326 L329 Y330 R333 V334A284-F288 PolarHBondContact O-N 3.24Å; E285-F288 PolarHBondContact O-N 3.48Å; F288-T290 VanDerWaalsContact C-N 3.28Å; F288-T290 PolarHBondContact O-N 3.27Å; F288-I291 PolarHBondContact O-N 3.47Å; F288-Q292 HydrophobicContact CD1-CG 4.12Å; F288-Q292 HydrophobicContact CD2-CG 4.34Å; F288-Q292 HydrophobicContact CE1-CG 3.69Å; F288-Q292 HydrophobicContact CE2-CG 3.92Å; F288-Q292 HydrophobicContact CG-CG 4.42Å; F288-Q292 HydrophobicContact CZ-CG 3.58Å; F288-Q292 WeakPolarHBondContact O-CB 3.18Å; F288-Q292 WeakPolarHBondContact O-CG 3.26Å; F288-Q292 PolarHBondContact O-N 2.87Å; F288-Y303 VanDerWaalsContact CD2-OH 3.3Å; F288-Y303 WeakPolarHBondContact CD2-OH 3.44Å; F288-Y303 WeakPolarHBondContact CE2-OH 3.46Å; F288-L326 HydrophobicContact CB-CD2 3.76Å; F288-L329 HydrophobicContact CB-CB 4.48Å; F288-L329 HydrophobicContact CB-CD1 3.76Å; F288-L329 HydrophobicContact CD1-CB 4.34Å; F288-L329 HydrophobicContact CD2-CB 3.84Å; F288-L329 HydrophobicContact CE2-CB 4.14Å; F288-L329 HydrophobicContact CG-CB 3.96Å; F288-L329 HydrophobicContact CG-CD1 4.09Å; F288-Y330 HydrophobicContact CE2-CD2 4.26Å; F288-R333 HydrophobicContact CE1-CB 4.32Å; F288-R333 HydrophobicContact CZ-CB 4.12Å; F288-V334 HydrophobicContact CE2-CG2 4.02Å; F288-V334 HydrophobicContact CZ-CG2 3.73Å
289N97.6Very high95.9Very high59 Ų5948.7 Ų48.732%0.31627%0.27SS..Hα-helixtrans-62.1-37.6180-69.9-19.3000111.6E285 L287 Q292 A293E285-N289 WeakPolarHBondContact O-CB 3.39Å; E285-N289 PolarHBondContact O-N 3.32Å; E285-N289 PolarHBondContact O-ND2 3.29Å; L287-N289 PolarHBondContact O-N 3.26Å; N289-Q292 PolarHBondContact O-N 3.33Å; N289-A293 WeakPolarHBondContact O-CB 3.41Å; N289-A293 PolarHBondContact O-N 3.48Å
290T97.4Very high96.2Very high1 Ų142.8 Ų42.81%0.00625%0.248CC..Hα-helixtrans-64.7-45.7177-590000111.6I171 P173 L183 R185 L286 L287 F288 A293I171-T290 HydrophobicContact CG2-CG2 3.79Å; P173-T290 HydrophobicContact CG-CG2 3.47Å; P173-T290 VanDerWaalsContact CG-CG2 3.47Å; L183-T290 WeakPolarHBondContact O-CG2 3.27Å; R185-T290 HydrophobicContact CG-CG2 4.48Å; R185-T290 WeakPolarHBondContact CG-OG1 3.41Å; L286-T290 WeakPolarHBondContact O-CB 3.47Å; L286-T290 PolarHBondContact O-N 3.41Å; L286-T290 PolarHBondContact O-OG1 3.27Å; L287-T290 PolarHBondContact O-N 3.08Å; F288-T290 VanDerWaalsContact C-N 3.28Å; F288-T290 PolarHBondContact O-N 3.27Å; T290-A293 PolarHBondContact O-N 3.21Å
291I97.4Very high96.4Very high0 Ų043.4 Ų43.40%024%0.235CC..Hα-helixtrans-66.4-41.5176.9-64.6170.1000110.5V160 L287 F288 A293 A294 R299 F302 Y303 I306V160-I291 HydrophobicContact CG2-CD1 4.44Å; V160-I291 HydrophobicContact CG2-CG1 4.03Å; L287-I291 HydrophobicContact CD1-CD1 3.89Å; L287-I291 HydrophobicContact CD1-CG1 4.29Å; L287-I291 HydrophobicContact CG-CD1 4.21Å; L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 2.95Å; F288-I291 PolarHBondContact O-N 3.47Å; I291-A293 VanDerWaalsContact C-N 3.26Å; I291-A293 PolarHBondContact O-N 2.84Å; I291-A294 WeakPolarHBondContact O-CB 3.43Å; I291-A294 PolarHBondContact O-N 3.16Å; I291-A294 VanDerWaalsContact O-N 3.13Å; I291-R299 HydrophobicContact CG2-CB 4.14Å; I291-R299 HydrophobicContact CG2-CG 4.32Å; I291-R299 WeakPolarHBondContact O-CG 3.42Å; I291-F302 HydrophobicContact CG1-CB 4.22Å; I291-F302 HydrophobicContact CG2-CB 4.05Å; I291-Y303 HydrophobicContact CB-CE1 4.35Å; I291-Y303 HydrophobicContact CB-CE2 4.45Å; I291-Y303 HydrophobicContact CD1-CD1 3.78Å; I291-Y303 HydrophobicContact CD1-CE1 3.7Å; I291-Y303 HydrophobicContact CD1-CG 4.43Å; I291-Y303 HydrophobicContact CG2-CD1 4.36Å; I291-Y303 HydrophobicContact CG2-CD2 3.8Å; I291-Y303 HydrophobicContact CG2-CE1 4.03Å; I291-Y303 HydrophobicContact CG2-CE2 3.43Å; I291-Y303 VanDerWaalsContact CG2-CE2 3.43Å; I291-Y303 HydrophobicContact CG2-CG 4.26Å; I291-I306 HydrophobicContact CD1-CD1 4.15Å; I291-I306 HydrophobicContact CD1-CG1 4.4Å
292Q96.6Very high96.5Very high42 Ų4241.2 Ų41.220%0.19622%0.222CC..Hα-helixtrans-68.7-22.7179.4-71-58.9-3200113.9F288 N289 A294 R299 Y303F288-Q292 HydrophobicContact CD1-CG 4.12Å; F288-Q292 HydrophobicContact CD2-CG 4.34Å; F288-Q292 HydrophobicContact CE1-CG 3.69Å; F288-Q292 HydrophobicContact CE2-CG 3.92Å; F288-Q292 HydrophobicContact CG-CG 4.42Å; F288-Q292 HydrophobicContact CZ-CG 3.58Å; F288-Q292 WeakPolarHBondContact O-CB 3.18Å; F288-Q292 WeakPolarHBondContact O-CG 3.26Å; F288-Q292 PolarHBondContact O-N 2.87Å; N289-Q292 PolarHBondContact O-N 3.33Å; Q292-A294 VanDerWaalsContact C-N 3.29Å; Q292-R299 PolarHBondContact O-NE 2.86Å; Q292-R299 PolarHBondContact O-NH2 3.4Å; Q292-Y303 PolarHBondContact NE2-OH 2.94Å
293A96.9Very high96.5Very high53 Ų5341.3 Ų41.344%0.43822%0.221SC..THydrogen-bonded Turntrans-76.7-15.4173.500000113.2L183 N289 T290 I291L183-A293 HydrophobicContact CD2-CB 3.72Å; N289-A293 WeakPolarHBondContact O-CB 3.41Å; N289-A293 PolarHBondContact O-N 3.48Å; T290-A293 PolarHBondContact O-N 3.21Å; I291-A293 VanDerWaalsContact C-N 3.26Å; I291-A293 PolarHBondContact O-N 2.84Å
294A96.4Very high96.4Very high3 Ų344.8 Ų44.83%0.02524%0.236CC..SBendtrans-75.7166.8176.300000112.8L183 I291 Q292 R299 F302L183-A294 HydrophobicContact CD1-CB 3.75Å; I291-A294 WeakPolarHBondContact O-CB 3.43Å; I291-A294 PolarHBondContact O-N 3.16Å; I291-A294 VanDerWaalsContact O-N 3.13Å; Q292-A294 VanDerWaalsContact C-N 3.29Å; A294-R299 HydrophobicContact CB-CG 4.49Å; A294-R299 VanDerWaalsContact O-CZ 3.27Å; A294-R299 PolarHBondContact O-NE 3.05Å; A294-R299 PolarHBondContact O-NH2 3.16Å; A294-F302 HydrophobicContact CB-CD2 3.92Å; A294-F302 HydrophobicContact CB-CE2 3.61Å
295D94.8Very high96.3Very high125 Ų12546.2 Ų46.267%0.66824%0.242SC*.  trans-60.6138.1175.3-65.3-26.8000111.3D297 T298 R299D295-D297 PolarHBondContact O-N 3.04Å; D295-T298 HydrophobicContact CB-CG2 4.38Å; D295-T298 PolarHBondContact O-N 3.22Å; D295-T298 PolarHBondContact O-OG1 3.41Å; D295-R299 WeakPolarHBondContact O-CG 3.45Å; D295-R299 PolarHBondContact O-N 3.28Å
296I93.6Very high96.3Very high122 Ų12243.9 Ų43.963%0.62623%0.232SC*.THydrogen-bonded Turntrans-51.9-37.9-172.8-64.7171.4000111.7T298 P300I296-T298 VanDerWaalsContact C-N 3.32Å; I296-T298 PolarHBondContact O-N 3.44Å; I296-P300 VanDerWaalsContact O-CD 3.32Å; I296-P300 WeakPolarHBondContact O-CD 3.38Å
297D94.1Very high96.3Very high152 Ų15242.8 Ų42.881%0.81323%0.226SC*.THydrogen-bonded Turntrans-71.8-24.8-177.5-61.8-27.1000113.3D295D295-D297 PolarHBondContact O-N 3.04Å
298T94.9Very high96.3Very high19 Ų1942.8 Ų42.812%0.11723%0.226CC..THydrogen-bonded Turntrans-88.5-25.3-179.965.50000113Y175 D295 I296 P300 E301 F302Y175-T298 HydrophobicContact CD2-CG2 4Å; Y175-T298 HydrophobicContact CE2-CG2 3.77Å; D295-T298 HydrophobicContact CB-CG2 4.38Å; D295-T298 PolarHBondContact O-N 3.22Å; D295-T298 PolarHBondContact O-OG1 3.41Å; I296-T298 VanDerWaalsContact C-N 3.32Å; I296-T298 PolarHBondContact O-N 3.44Å; T298-P300 VanDerWaalsContact C-CD 3.48Å; T298-E301 WeakPolarHBondContact O-CB 3.37Å; T298-E301 PolarHBondContact O-N 3.23Å; T298-F302 PolarHBondContact O-N 3.43Å; T298-F302 WeakPolarHBondContact OG1-CE2 3.44Å
299R95.8Very high96.2Very high62 Ų6242.5 Ų42.523%0.23423%0.225CC..Hα-helixtrans-54.6-45-177.3-57.8-177.8-168.4168.710.6114I291 Q292 A294 D295 E301 F302 Y303I291-R299 HydrophobicContact CG2-CB 4.14Å; I291-R299 HydrophobicContact CG2-CG 4.32Å; I291-R299 WeakPolarHBondContact O-CG 3.42Å; Q292-R299 PolarHBondContact O-NE 2.86Å; Q292-R299 PolarHBondContact O-NH2 3.4Å; A294-R299 HydrophobicContact CB-CG 4.49Å; A294-R299 VanDerWaalsContact O-CZ 3.27Å; A294-R299 PolarHBondContact O-NE 3.05Å; A294-R299 PolarHBondContact O-NH2 3.16Å; D295-R299 WeakPolarHBondContact O-CG 3.45Å; D295-R299 PolarHBondContact O-N 3.28Å; R299-E301 PolarHBondContact O-N 3.07Å; R299-F302 PolarHBondContact O-N 3.43Å; R299-Y303 HydrophobicContact CB-CE2 4.47Å; R299-Y303 WeakPolarHBondContact O-CD2 3.21Å; R299-Y303 PolarHBondContact O-N 3.06Å
300P94.9Very high96Very high67 Ų6740 Ų4044%0.43521%0.213SC..Hα-helixtrans-61.3-33.1179.4-22.634.5000112.3I296 T298 K304I296-P300 VanDerWaalsContact O-CD 3.32Å; I296-P300 WeakPolarHBondContact O-CD 3.38Å; T298-P300 VanDerWaalsContact C-CD 3.48Å; P300-K304 VanDerWaalsContact O-CG 3.26Å; P300-K304 WeakPolarHBondContact O-CG 3.28Å; P300-K304 PolarHBondContact O-N 3.07Å
301E95.1Very high95.9Very high70 Ų7041.6 Ų41.633%0.32723%0.23SC..Hα-helixtrans-74.4-41.9178.3-159.862.4-171.200111.1T158 T298 R299 Y303 K304 H305T158-E301 HydrophobicContact CG2-CB 4.34Å; T158-E301 HydrophobicContact CG2-CG 3.76Å; T298-E301 WeakPolarHBondContact O-CB 3.37Å; T298-E301 PolarHBondContact O-N 3.23Å; R299-E301 PolarHBondContact O-N 3.07Å; E301-Y303 PolarHBondContact O-N 2.99Å; E301-K304 PolarHBondContact O-N 2.63Å; E301-K304 VanDerWaalsContact O-N 3.17Å; E301-K304 IonicContact OE2-NZ 3.38Å; E301-H305 PolarHBondContact O-CD2 3.36Å; E301-H305 PolarHBondContact O-N 3.49Å; E301-H305 VanDerWaalsContact O-N 3.1Å; E301-H305 IonicContact OE1-CD2 3.18Å; E301-H305 PolarHBondContact OE1-CD2 2.95Å; E301-H305 VanDerWaalsContact OE1-CD2 3.29Å; E301-H305 IonicContact OE1-NE2 2.76Å; E301-H305 PolarHBondContact OE1-NE2 2.78Å
302F97Very high95.9Very high0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-60.3-41.2173.4-71-23000113.4T158 V160 P173 V174 L180 I291 A294 T298 R299 K304 H305 I306T158-F302 HydrophobicContact CG2-CD1 4.18Å; T158-F302 HydrophobicContact CG2-CE1 3.87Å; V160-F302 HydrophobicContact CG2-CB 3.59Å; V160-F302 HydrophobicContact CG2-CD1 3.7Å; V160-F302 HydrophobicContact CG2-CD2 4.18Å; V160-F302 HydrophobicContact CG2-CE1 4.42Å; V160-F302 HydrophobicContact CG2-CG 3.56Å; P173-F302 HydrophobicContact CB-CE1 4.41Å; P173-F302 HydrophobicContact CB-CE2 4.2Å; P173-F302 HydrophobicContact CB-CZ 3.99Å; V174-F302 WeakPolarHBondContact O-CE1 3.36Å; L180-F302 HydrophobicContact CD1-CZ 4.05Å; I291-F302 HydrophobicContact CG1-CB 4.22Å; I291-F302 HydrophobicContact CG2-CB 4.05Å; A294-F302 HydrophobicContact CB-CD2 3.92Å; A294-F302 HydrophobicContact CB-CE2 3.61Å; T298-F302 PolarHBondContact O-N 3.43Å; T298-F302 WeakPolarHBondContact OG1-CE2 3.44Å; R299-F302 PolarHBondContact O-N 3.43Å; F302-K304 VanDerWaalsContact C-N 3.29Å; F302-K304 PolarHBondContact O-N 3.31Å; F302-H305 CarbonylContact O-C 3.56Å; F302-H305 PolarHBondContact O-N 3.25Å; F302-I306 VanDerWaalsContact O-CG1 3.28Å; F302-I306 WeakPolarHBondContact O-CG1 3.4Å
303Y97.1Very high95.9Very high7 Ų740 Ų403%0.02722%0.223CC..Hα-helixtrans-67.5-27.2176.4-79.4-60.8000113.8F288 I291 Q292 R299 E301 I306 Y330 F345 I347 R348F288-Y303 VanDerWaalsContact CD2-OH 3.3Å; F288-Y303 WeakPolarHBondContact CD2-OH 3.44Å; F288-Y303 WeakPolarHBondContact CE2-OH 3.46Å; I291-Y303 HydrophobicContact CB-CE1 4.35Å; I291-Y303 HydrophobicContact CB-CE2 4.45Å; I291-Y303 HydrophobicContact CD1-CD1 3.78Å; I291-Y303 HydrophobicContact CD1-CE1 3.7Å; I291-Y303 HydrophobicContact CD1-CG 4.43Å; I291-Y303 HydrophobicContact CG2-CD1 4.36Å; I291-Y303 HydrophobicContact CG2-CD2 3.8Å; I291-Y303 HydrophobicContact CG2-CE1 4.03Å; I291-Y303 HydrophobicContact CG2-CE2 3.43Å; I291-Y303 VanDerWaalsContact CG2-CE2 3.43Å; I291-Y303 HydrophobicContact CG2-CG 4.26Å; Q292-Y303 PolarHBondContact NE2-OH 2.94Å; R299-Y303 HydrophobicContact CB-CE2 4.47Å; R299-Y303 WeakPolarHBondContact O-CD2 3.21Å; R299-Y303 PolarHBondContact O-N 3.06Å; E301-Y303 PolarHBondContact O-N 2.99Å; Y303-I306 HydrophobicContact CD1-CD1 4.4Å; Y303-Y330 HydrophobicContact CE2-CD2 4.36Å; Y303-Y330 HydrophobicContact CE2-CE2 4.25Å; Y303-F345 AromaticContact CD1-CE2 3.88Å; Y303-F345 HydrophobicContact CD1-CE2 3.88Å; Y303-F345 AromaticContact CD1-CZ 3.6Å; Y303-F345 HydrophobicContact CD1-CZ 3.6Å; Y303-F345 AromaticContact CD2-CE2 3.72Å; Y303-F345 HydrophobicContact CD2-CE2 3.72Å; Y303-F345 HydrophobicContact CD2-CZ 4.29Å; Y303-F345 HydrophobicContact CE1-CE2 4.16Å; Y303-F345 AromaticContact CE1-CZ 3.78Å; Y303-F345 HydrophobicContact CE1-CZ 3.78Å; Y303-F345 AromaticContact CE2-CE2 4Å; Y303-F345 HydrophobicContact CE2-CE2 4Å; Y303-F345 HydrophobicContact CE2-CZ 4.43Å; Y303-F345 AromaticContact CG-CE2 3.65Å; Y303-F345 HydrophobicContact CG-CE2 3.65Å; Y303-F345 AromaticContact CG-CZ 3.88Å; Y303-F345 HydrophobicContact CG-CZ 3.88Å; Y303-I347 WeakPolarHBondContact O-CA 3.28Å; Y303-R348 PolarHBondContact O-N 2.96Å
304K95.7Very high95.9Very high79 Ų7940.9 Ų40.934%0.34322%0.219SC..Hα-helixtrans-82.6-17.7175.9-70.2172.3-163.5163.90113.6P300 E301 F302 K346 R348P300-K304 VanDerWaalsContact O-CG 3.26Å; P300-K304 WeakPolarHBondContact O-CG 3.28Å; P300-K304 PolarHBondContact O-N 3.07Å; E301-K304 PolarHBondContact O-N 2.63Å; E301-K304 VanDerWaalsContact O-N 3.17Å; E301-K304 IonicContact OE2-NZ 3.38Å; F302-K304 VanDerWaalsContact C-N 3.29Å; F302-K304 PolarHBondContact O-N 3.31Å; K304-K346 HydrophobicContact CG-CB 4.48Å; K304-R348 VanDerWaalsContact O-CB 3.31Å; K304-R348 WeakPolarHBondContact O-CB 3.39Å
305H96.3Very high96Very high30 Ų3041.3 Ų41.314%0.13922%0.22CC..  trans-129.557.3-173.8-66.9-61.5000110.9L156 T158 G159 V160 E301 F302 E350L156-H305 HydrophobicContact CD1-CB 4.31Å; T158-H305 WeakPolarHBondContact O-CB 3.3Å; G159-H305 CarbonylContact C-O 3.3Å; G159-H305 WeakPolarHBondContact CA-O 3.39Å; V160-H305 PolarHBondContact N-O 3Å; E301-H305 PolarHBondContact O-CD2 3.36Å; E301-H305 PolarHBondContact O-N 3.49Å; E301-H305 VanDerWaalsContact O-N 3.1Å; E301-H305 IonicContact OE1-CD2 3.18Å; E301-H305 PolarHBondContact OE1-CD2 2.95Å; E301-H305 VanDerWaalsContact OE1-CD2 3.29Å; E301-H305 IonicContact OE1-NE2 2.76Å; E301-H305 PolarHBondContact OE1-NE2 2.78Å; F302-H305 CarbonylContact O-C 3.56Å; F302-H305 PolarHBondContact O-N 3.25Å; H305-E350 IonicContact ND1-OE1 2.75Å
306I98Very high96.1Very high0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-88.1117.8169.4-57.4172.6000107.4V160 V162 L287 I291 F302 Y303 L326 I347 R348 I349 E350V160-I306 CarbonylContact O-C 3.46Å; V160-I306 WeakPolarHBondContact O-CA 3.31Å; V162-I306 HydrophobicContact CG2-CG2 4.03Å; L287-I306 HydrophobicContact CD2-CD1 4.28Å; L287-I306 HydrophobicContact CD2-CG2 3.97Å; I291-I306 HydrophobicContact CD1-CD1 4.15Å; I291-I306 HydrophobicContact CD1-CG1 4.4Å; F302-I306 VanDerWaalsContact O-CG1 3.28Å; F302-I306 WeakPolarHBondContact O-CG1 3.4Å; Y303-I306 HydrophobicContact CD1-CD1 4.4Å; I306-L326 HydrophobicContact CD1-CD1 3.7Å; I306-I347 HydrophobicContact CD1-CD1 4.37Å; I306-I347 HydrophobicContact CD1-CG1 4.32Å; I306-R348 PolarHBondContact N-O 3.24Å; I306-I349 HydrophobicContact CB-CG1 4.23Å; I306-I349 HydrophobicContact CD1-CG1 4.22Å; I306-I349 HydrophobicContact CG2-CG1 4.31Å; I306-I349 HydrophobicContact CG2-CG2 4.36Å; I306-I349 CarbonylContact O-C 3.48Å; I306-I349 WeakPolarHBondContact O-CA 3.41Å; I306-E350 PolarHBondContact O-N 3.02Å
307V97.6Very high96.2Very high0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-114.3126.1-177.4-178.50000110L151 Q154 L156 V160 V161 V162 E350 M358L151-V307 HydrophobicContact CD2-CB 3.95Å; L151-V307 HydrophobicContact CD2-CG2 3.53Å; Q154-V307 HydrophobicContact CG-CG1 4.26Å; L156-V307 HydrophobicContact CD1-CG2 3.89Å; V160-V307 PolarHBondContact O-N 2.97Å; V161-V307 WeakPolarHBondContact CA-O 3.43Å; V162-V307 PolarHBondContact N-O 2.67Å; V307-E350 HydrophobicContact CG2-CB 4.35Å; V307-M358 HydrophobicContact CG1-CE 3.75Å; V307-M358 HydrophobicContact CG1-SD 3.76Å
308L97.8Very high96.4Very high0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-88.5131.6176.9-57.1-175000110.9V162 T313 L318 P319 L322 I349 E350 D351 R355 M358V162-L308 HydrophobicContact CB-CD2 3.82Å; V162-L308 HydrophobicContact CG1-CD2 4.38Å; V162-L308 HydrophobicContact CG2-CD2 4.13Å; L308-T313 HydrophobicContact CB-CG2 4.28Å; L308-L318 HydrophobicContact CD1-CD2 3.65Å; L308-P319 HydrophobicContact CD1-CB 4.15Å; L308-P319 HydrophobicContact CD1-CG 3.84Å; L308-L322 HydrophobicContact CD1-CD1 4.45Å; L308-L322 HydrophobicContact CD2-CD1 3.74Å; L308-I349 HydrophobicContact CD1-CG2 3.82Å; L308-I349 HydrophobicContact CD2-CG2 3.99Å; L308-I349 HydrophobicContact CG-CG2 3.73Å; L308-E350 PolarHBondContact N-O 3.41Å; L308-D351 HydrophobicContact CD1-CB 3.94Å; L308-R355 VanDerWaalsContact O-CB 3.28Å; L308-R355 WeakPolarHBondContact O-CB 3.46Å; L308-M358 WeakPolarHBondContact O-CE 3.35Å
309S95.8Very high96.5Very high1 Ų128 Ų281%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-135.2155.7175.8171.60000111.6T150 V162 D163 S164 T313T150-S309 VanDerWaalsContact CG2-OG 3.32Å; T150-S309 WeakPolarHBondContact CG2-OG 3.25Å; V162-S309 PolarHBondContact O-N 2.9Å; D163-S309 WeakPolarHBondContact CA-O 3.36Å; D163-S309 VanDerWaalsContact OD1-C 3.28Å; D163-S309 VanDerWaalsContact OD1-CB 3.26Å; D163-S309 WeakPolarHBondContact OD1-CB 3.23Å; D163-S309 PolarHBondContact OD1-OG 3.31Å; S164-S309 PolarHBondContact N-O 3.19Å; S309-T313 WeakPolarHBondContact O-CG2 3.41Å; S309-T313 PolarHBondContact O-OG1 3.21Å
310G93.7Very high96.6Very high7 Ų728 Ų287%0.07217%0.172CC..SBendtrans93.2158.2171.700000113.5D163 S164 S312 T313 R355D163-G310 PolarHBondContact OD1-N 2.93Å; S164-G310 CarbonylContact O-C 3.6Å; S164-G310 WeakPolarHBondContact O-CA 3.23Å; G310-S312 VanDerWaalsContact C-N 3.3Å; G310-S312 PolarHBondContact O-N 2.67Å; G310-T313 PolarHBondContact O-N 2.65Å; G310-T313 PolarHBondContact O-OG1 3.1Å; G310-R355 PolarHBondContact N-O 2.86Å
311G94.3Very high96.7Very high35 Ų3525.4 Ų25.436%0.36115%0.153SC..G310 helixtrans-62.8-31.7-170.700000114.7S164 T313 M314S164-G311 PolarHBondContact O-N 2.81Å; G311-T313 PolarHBondContact O-N 2.94Å; G311-M314 VanDerWaalsContact O-CB 3.27Å; G311-M314 WeakPolarHBondContact O-CB 3.16Å; G311-M314 VanDerWaalsContact O-CG 3.29Å; G311-M314 WeakPolarHBondContact O-CG 3.23Å; G311-M314 PolarHBondContact O-N 3.13Å
312S96.8Very high96.8Very high5 Ų522.2 Ų22.24%0.03514%0.138CC..G310 helixtrans-81.4-0.1-178.8-60.40000113.2S164 G165 G191 G310 M314 Y315S164-S312 WeakPolarHBondContact O-CB 3.26Å; S164-S312 PolarHBondContact O-N 3.41Å; S164-S312 VanDerWaalsContact OG-CB 3.31Å; S164-S312 WeakPolarHBondContact OG-CB 3.36Å; G165-S312 PolarHBondContact O-OG 2.81Å; G191-S312 WeakPolarHBondContact CA-OG 3.25Å; G191-S312 PolarHBondContact N-OG 2.97Å; G191-S312 VanDerWaalsContact N-OG 3.12Å; G310-S312 VanDerWaalsContact C-N 3.3Å; G310-S312 PolarHBondContact O-N 2.67Å; S312-M314 VanDerWaalsContact C-N 3.34Å; S312-Y315 WeakPolarHBondContact O-CD2 3.37Å; S312-Y315 VanDerWaalsContact O-CE2 3.27Å; S312-Y315 WeakPolarHBondContact O-CE2 3.47Å
313T97.4Very high96.8Very high3 Ų325.4 Ų25.42%0.01815%0.153CC..G310 helixtrans-912.3167.568.20000112.9L308 S309 G310 G311 Y315 R355L308-T313 HydrophobicContact CB-CG2 4.28Å; S309-T313 WeakPolarHBondContact O-CG2 3.41Å; S309-T313 PolarHBondContact O-OG1 3.21Å; G310-T313 PolarHBondContact O-N 2.65Å; G310-T313 PolarHBondContact O-OG1 3.1Å; G311-T313 PolarHBondContact O-N 2.94Å; T313-Y315 VanDerWaalsContact C-N 3.32Å; T313-R355 PolarHBondContact O-NE 3.34Å; T313-R355 PolarHBondContact O-NH2 2.86Å
314M97.1Very high96.8Very high71 Ų7126.9 Ų26.935%0.3516%0.159SC..  trans-83.1-5.4-177.5-63.8-61.1-60.900113.8G311 S312 R355 K356G311-M314 VanDerWaalsContact O-CB 3.27Å; G311-M314 WeakPolarHBondContact O-CB 3.16Å; G311-M314 VanDerWaalsContact O-CG 3.29Å; G311-M314 WeakPolarHBondContact O-CG 3.23Å; G311-M314 PolarHBondContact O-N 3.13Å; S312-M314 VanDerWaalsContact C-N 3.34Å; M314-R355 HydrophobicContact SD-CG 3.38Å; M314-R355 WeakPolarHBondContact SD-CG 3.36Å; M314-K356 HydrophobicContact CG-CB 4.13Å; M314-K356 HydrophobicContact SD-CB 4.05Å
315Y97.6Very high96.8Very high13 Ų1324.6 Ų24.65%0.05115%0.149CC..SBendtrans-59.3130.4177.8-64.6-69.2000111.3I194 K222 C226 V228 P267 L270 S312 T313 G317 L318I194-Y315 HydrophobicContact CD1-CE2 3.86Å; K222-Y315 WeakPolarHBondContact CD-OH 3.48Å; K222-Y315 WeakPolarHBondContact CE-OH 3.37Å; K222-Y315 HydrophobicContact CG-CE1 4.13Å; K222-Y315 WeakPolarHBondContact CG-OH 3.4Å; C226-Y315 HydrophobicContact CB-CD1 4.1Å; C226-Y315 HydrophobicContact CB-CE1 3.82Å; V228-Y315 HydrophobicContact CG2-CD2 4.44Å; V228-Y315 HydrophobicContact CG2-CG 4.25Å; P267-Y315 HydrophobicContact CB-CD1 4.39Å; P267-Y315 HydrophobicContact CB-CD2 4.31Å; P267-Y315 HydrophobicContact CB-CE1 4.41Å; P267-Y315 HydrophobicContact CB-CE2 4.36Å; P267-Y315 HydrophobicContact CB-CG 4.34Å; P267-Y315 HydrophobicContact CG-CD1 3.91Å; P267-Y315 HydrophobicContact CG-CE1 3.79Å; P267-Y315 HydrophobicContact CG-CG 4.35Å; L270-Y315 HydrophobicContact CD1-CD2 4.42Å; L270-Y315 HydrophobicContact CD1-CE2 4.29Å; S312-Y315 WeakPolarHBondContact O-CD2 3.37Å; S312-Y315 VanDerWaalsContact O-CE2 3.27Å; S312-Y315 WeakPolarHBondContact O-CE2 3.47Å; T313-Y315 VanDerWaalsContact C-N 3.32Å; Y315-G317 PolarHBondContact O-N 3.33Å; Y315-L318 HydrophobicContact CD2-CD1 4.29Å; Y315-L318 WeakPolarHBondContact O-CB 3.26Å; Y315-L318 PolarHBondContact O-N 3.13Å
316P97.8Very high96.8Very high85 Ų8523.2 Ų23.255%0.55214%0.143SC*.THydrogen-bonded Turntrans-55.3136.9170.2-24.233.8000110.6V228 L318V228-P316 PolarHBondContact N-O 3.07Å; P316-L318 VanDerWaalsContact C-N 3.31Å; P316-L318 PolarHBondContact O-N 2.88Å
317G96.6Very high96.7Very high31 Ų3126.7 Ų26.732%0.3216%0.158SC..THydrogen-bonded Turntrans85.4-13.8179.600000115.7Y315 S320 R321Y315-G317 PolarHBondContact O-N 3.33Å; G317-S320 PolarHBondContact O-N 3.06Å; G317-R321 WeakPolarHBondContact O-CB 3.47Å; G317-R321 PolarHBondContact O-N 3.46Å
318L97.8Very high96.6Very high6 Ų630.5 Ų30.53%0.03118%0.176CC..Hα-helixtrans-58.8-46.8-178.4-179.8141.8000113.8V228 L270 L308 Y315 P316 S320 R321 L322V228-L318 HydrophobicContact CB-CB 4.21Å; V228-L318 HydrophobicContact CG2-CB 3.94Å; V228-L318 HydrophobicContact CG2-CD1 4.15Å; V228-L318 HydrophobicContact CG2-CG 4.46Å; L270-L318 HydrophobicContact CD1-CD1 4.17Å; L308-L318 HydrophobicContact CD1-CD2 3.65Å; Y315-L318 HydrophobicContact CD2-CD1 4.29Å; Y315-L318 WeakPolarHBondContact O-CB 3.26Å; Y315-L318 PolarHBondContact O-N 3.13Å; P316-L318 VanDerWaalsContact C-N 3.31Å; P316-L318 PolarHBondContact O-N 2.88Å; L318-S320 PolarHBondContact O-N 3.3Å; L318-R321 PolarHBondContact O-N 3.44Å; L318-L322 HydrophobicContact CD2-CD1 3.78Å; L318-L322 HydrophobicContact CG-CD1 4.38Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 PolarHBondContact O-N 3.14Å
319P97.4Very high96.5Very high17 Ų1731.2 Ų31.211%0.1118%0.179CC..Hα-helixtrans-60-44.6177.1-22.432.9000112.4L308 L322 E323 I349 D351L308-P319 HydrophobicContact CD1-CB 4.15Å; L308-P319 HydrophobicContact CD1-CG 3.84Å; P319-L322 PolarHBondContact O-N 3.11Å; P319-E323 WeakPolarHBondContact O-CB 3.49Å; P319-E323 PolarHBondContact O-N 3.37Å; P319-I349 HydrophobicContact CB-CG2 4.49Å; P319-D351 HydrophobicContact CB-CB 4.1Å; P319-D351 HydrophobicContact CG-CB 3.62Å; P319-D351 WeakPolarHBondContact CG-OD2 3.47Å
320S97.3Very high96.5Very high61 Ų6133.4 Ų33.443%0.42719%0.188SC..Hα-helixtrans-67-39-179.5-52.30000112.4G317 L318 E323 R324G317-S320 PolarHBondContact O-N 3.06Å; L318-S320 PolarHBondContact O-N 3.3Å; S320-E323 PolarHBondContact O-N 3.2Å; S320-R324 PolarHBondContact O-N 2.91Å
321R97.7Very high96.6Very high13 Ų1334.9 Ų34.95%0.04919%0.194CC..Hα-helixtrans-64.1-47.6174.7173.660.8-178-78.5-7.9111.2V228 G229 Y230 E268 F271 G317 L318 E323 R324 E325V228-R321 HydrophobicContact CG1-CB 3.59Å; V228-R321 HydrophobicContact CG1-CG 3.65Å; G229-R321 PolarHBondContact O-NH1 2.95Å; G229-R321 VanDerWaalsContact O-NH1 3.09Å; Y230-R321 WeakPolarHBondContact O-CD 3.35Å; E268-R321 IonicContact OE1-CZ 3.18Å; E268-R321 IonicContact OE1-NH1 2.65Å; E268-R321 PolarHBondContact OE1-NH1 3.43Å; E268-R321 IonicContact OE1-NH2 3.04Å; E268-R321 PolarHBondContact OE1-NH2 2.96Å; E268-R321 IonicContact OE2-CZ 2.67Å; E268-R321 IonicContact OE2-NH1 3.86Å; E268-R321 PolarHBondContact OE2-NH1 3.4Å; E268-R321 IonicContact OE2-NH2 3.3Å; F271-R321 HydrophobicContact CD1-CG 4.21Å; F271-R321 HydrophobicContact CE1-CG 3.55Å; F271-R321 HydrophobicContact CE2-CG 4.01Å; F271-R321 HydrophobicContact CZ-CB 4.15Å; F271-R321 HydrophobicContact CZ-CG 3.44Å; F271-R321 VanDerWaalsContact CZ-CG 3.44Å; G317-R321 WeakPolarHBondContact O-CB 3.47Å; G317-R321 PolarHBondContact O-N 3.46Å; L318-R321 PolarHBondContact O-N 3.44Å; R321-E323 VanDerWaalsContact C-N 3.33Å; R321-E323 PolarHBondContact O-N 3.31Å; R321-R324 PolarHBondContact O-N 3.25Å; R321-E325 IonicContact CZ-OE2 3.09Å; R321-E325 IonicContact NE-OE2 3.38Å; R321-E325 PolarHBondContact NE-OE2 3.38Å; R321-E325 IonicContact NH2-OE2 2.84Å; R321-E325 PolarHBondContact NH2-OE2 2.66Å; R321-E325 VanDerWaalsContact NH2-OE2 3.12Å; R321-E325 WeakPolarHBondContact O-CB 3.45Å; R321-E325 PolarHBondContact O-N 3.04Å
322L97.4Very high96.6Very high2 Ų239.3 Ų39.31%0.0121%0.205CC..Hα-helixtrans-57.9-44.7175.4-83.3175.5000111.7F271 V283 A284 L308 L318 P319 R324 E325 L326 I349F271-L322 HydrophobicContact CE1-CD2 3.92Å; F271-L322 HydrophobicContact CE1-CG 4.24Å; F271-L322 HydrophobicContact CZ-CD2 4.32Å; F271-L322 HydrophobicContact CZ-CG 4.25Å; V283-L322 HydrophobicContact CG1-CD2 3.98Å; A284-L322 HydrophobicContact CB-CD2 3.88Å; L308-L322 HydrophobicContact CD1-CD1 4.45Å; L308-L322 HydrophobicContact CD2-CD1 3.74Å; L318-L322 HydrophobicContact CD2-CD1 3.78Å; L318-L322 HydrophobicContact CG-CD1 4.38Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 PolarHBondContact O-N 3.14Å; P319-L322 PolarHBondContact O-N 3.11Å; L322-R324 PolarHBondContact O-N 3.41Å; L322-E325 PolarHBondContact O-N 3.4Å; L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 VanDerWaalsContact O-CG 3.3Å; L322-L326 WeakPolarHBondContact O-CG 3.47Å; L322-L326 PolarHBondContact O-N 3.08Å; L322-I349 HydrophobicContact CB-CD1 3.57Å
323E96.6Very high96.5Very high68 Ų6844.9 Ų44.932%0.31823%0.226SC..Hα-helixtrans-61.6-44.7179.4-168.2-170.5154.200111.6P319 S320 R321 K327 I347 I349P319-E323 WeakPolarHBondContact O-CB 3.49Å; P319-E323 PolarHBondContact O-N 3.37Å; S320-E323 PolarHBondContact O-N 3.2Å; R321-E323 VanDerWaalsContact C-N 3.33Å; R321-E323 PolarHBondContact O-N 3.31Å; E323-K327 HydrophobicContact CG-CD 4.39Å; E323-K327 WeakPolarHBondContact O-CB 3.35Å; E323-K327 WeakPolarHBondContact O-CG 3.23Å; E323-K327 PolarHBondContact O-N 2.83Å; E323-K327 WeakPolarHBondContact OE1-CE 3.5Å; E323-K327 IonicContact OE1-NZ 3.72Å; E323-K327 PolarHBondContact OE1-NZ 3.18Å; E323-I347 HydrophobicContact CG-CD1 4.34Å; E323-I347 HydrophobicContact CG-CG2 4.07Å; E323-I349 HydrophobicContact CB-CD1 3.92Å
324R96.1Very high96.3Very high38 Ų3847.3 Ų47.314%0.14324%0.241CC..Hα-helixtrans-61.8-48.4177.4-171.8-171.182.6177.4-1.2111.8Y230 N231 S320 R321 L322 K327 Q328Y230-R324 VanDerWaalsContact C-NH1 3.25Å; Y230-R324 HydrophobicContact CE2-CB 3.73Å; Y230-R324 HydrophobicContact CE2-CG 4.13Å; Y230-R324 PolarHBondContact O-NH1 2.91Å; Y230-R324 PolarHBondContact O-NH2 3Å; Y230-R324 WeakPolarHBondContact OH-CD 3.42Å; N231-R324 VanDerWaalsContact CA-NH1 3.34Å; S320-R324 PolarHBondContact O-N 2.91Å; R321-R324 PolarHBondContact O-N 3.25Å; L322-R324 PolarHBondContact O-N 3.41Å; R324-K327 WeakPolarHBondContact O-CB 2.97Å; R324-K327 PolarHBondContact O-N 3.26Å; R324-Q328 WeakPolarHBondContact O-CG 3.4Å; R324-Q328 PolarHBondContact O-N 3.37Å
325E96.5Very high96.1Very high31 Ų3145.3 Ų45.315%0.14523%0.231CC..Hα-helixtrans-68.9-37.6-174.4-159.8162.2151.200111.5F271 A284 R321 L322 Q328 L329F271-E325 WeakPolarHBondContact CD1-OE2 3.44Å; A284-E325 HydrophobicContact CB-CB 3.78Å; A284-E325 VanDerWaalsContact CB-CD 3.48Å; A284-E325 HydrophobicContact CB-CG 3.62Å; R321-E325 IonicContact CZ-OE2 3.09Å; R321-E325 IonicContact NE-OE2 3.38Å; R321-E325 PolarHBondContact NE-OE2 3.38Å; R321-E325 IonicContact NH2-OE2 2.84Å; R321-E325 PolarHBondContact NH2-OE2 2.66Å; R321-E325 VanDerWaalsContact NH2-OE2 3.12Å; R321-E325 WeakPolarHBondContact O-CB 3.45Å; R321-E325 PolarHBondContact O-N 3.04Å; L322-E325 PolarHBondContact O-N 3.4Å; E325-Q328 PolarHBondContact O-N 3.2Å; E325-L329 WeakPolarHBondContact O-CB 3.21Å; E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.43Å; E325-L329 PolarHBondContact O-N 3.11Å
326L96.8Very high95.9Very high0 Ų053.5 Ų53.50%027%0.267CS..Hα-helixtrans-64-40.1171.3-72.6176000112.6A284 L287 F288 I306 L322 Y330 I347 I349A284-L326 WeakPolarHBondContact O-CD2 2.94Å; L287-L326 HydrophobicContact CB-CD2 4.49Å; L287-L326 HydrophobicContact CD2-CD1 3.79Å; L287-L326 HydrophobicContact CD2-CD2 4.41Å; L287-L326 HydrophobicContact CG-CD1 4.37Å; L287-L326 HydrophobicContact CG-CD2 4.28Å; F288-L326 HydrophobicContact CB-CD2 3.76Å; I306-L326 HydrophobicContact CD1-CD1 3.7Å; L322-L326 WeakPolarHBondContact O-CB 3.38Å; L322-L326 VanDerWaalsContact O-CG 3.3Å; L322-L326 WeakPolarHBondContact O-CG 3.47Å; L322-L326 PolarHBondContact O-N 3.08Å; L326-Y330 VanDerWaalsContact O-CB 3.27Å; L326-Y330 WeakPolarHBondContact O-CB 3.41Å; L326-Y330 PolarHBondContact O-N 3.1Å; L326-I347 HydrophobicContact CB-CD1 3.55Å; L326-I347 HydrophobicContact CD1-CD1 3.49Å; L326-I347 VanDerWaalsContact CD1-CD1 3.49Å; L326-I347 HydrophobicContact CG-CD1 4.18Å; L326-I349 HydrophobicContact CD1-CD1 4.2Å
327K95.8Very high95.6Very high73 Ų7351.8 Ų51.832%0.31726%0.264SS..Hα-helixtrans-63.2-41.4174.1-78.4172.1170.9170.40111.8E323 R324 Y330 L331 F345 I347E323-K327 HydrophobicContact CG-CD 4.39Å; E323-K327 WeakPolarHBondContact O-CB 3.35Å; E323-K327 WeakPolarHBondContact O-CG 3.23Å; E323-K327 PolarHBondContact O-N 2.83Å; E323-K327 WeakPolarHBondContact OE1-CE 3.5Å; E323-K327 IonicContact OE1-NZ 3.72Å; E323-K327 PolarHBondContact OE1-NZ 3.18Å; R324-K327 WeakPolarHBondContact O-CB 2.97Å; R324-K327 PolarHBondContact O-N 3.26Å; K327-Y330 PolarHBondContact O-N 3.5Å; K327-L331 VanDerWaalsContact O-CB 3.3Å; K327-L331 WeakPolarHBondContact O-CB 3.46Å; K327-L331 PolarHBondContact O-N 3.31Å; K327-F345 HydrophobicContact CG-CD1 4.25Å; K327-F345 HydrophobicContact CG-CE1 4.22Å; K327-I347 HydrophobicContact CD-CG2 4.39Å; K327-I347 VanDerWaalsContact CE-CG2 3.5Å; K327-I347 HydrophobicContact CG-CG2 4.16Å
328Q95.2Very high95.3Very high80 Ų8052.6 Ų52.637%0.37426%0.261SS..Hα-helixtrans-62.6-51176.1-74.1172-34.500111.2R324 E325 Y330 L331 E332R324-Q328 WeakPolarHBondContact O-CG 3.4Å; R324-Q328 PolarHBondContact O-N 3.37Å; E325-Q328 PolarHBondContact O-N 3.2Å; Q328-Y330 VanDerWaalsContact C-N 3.31Å; Q328-Y330 PolarHBondContact O-N 3.11Å; Q328-L331 PolarHBondContact O-N 3.07Å; Q328-E332 WeakPolarHBondContact O-CB 3.35Å; Q328-E332 WeakPolarHBondContact O-CG 3.38Å; Q328-E332 PolarHBondContact O-N 3.44Å
329L96.2Very high95Very high15 Ų1556.8 Ų56.88%0.07929%0.287CS..Hα-helixtrans-59.7-41.2177.5-70.7169.7000112.3E285 F288 E325 R333E285-L329 HydrophobicContact CB-CD1 4.11Å; F288-L329 HydrophobicContact CB-CB 4.48Å; F288-L329 HydrophobicContact CB-CD1 3.76Å; F288-L329 HydrophobicContact CD1-CB 4.34Å; F288-L329 HydrophobicContact CD2-CB 3.84Å; F288-L329 HydrophobicContact CE2-CB 4.14Å; F288-L329 HydrophobicContact CG-CB 3.96Å; F288-L329 HydrophobicContact CG-CD1 4.09Å; E325-L329 WeakPolarHBondContact O-CB 3.21Å; E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.43Å; E325-L329 PolarHBondContact O-N 3.11Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.48Å; L329-R333 PolarHBondContact O-N 3.5Å
330Y95Very high94.6Very high47 Ų4762.5 Ų62.518%0.18432%0.316CS..Iπ-helixtrans-66.4-42.9177-166.6-91000111.8F288 Y303 L326 K327 Q328 V334 L335 L342 F345F288-Y330 HydrophobicContact CE2-CD2 4.26Å; Y303-Y330 HydrophobicContact CE2-CD2 4.36Å; Y303-Y330 HydrophobicContact CE2-CE2 4.25Å; L326-Y330 VanDerWaalsContact O-CB 3.27Å; L326-Y330 WeakPolarHBondContact O-CB 3.41Å; L326-Y330 PolarHBondContact O-N 3.1Å; K327-Y330 PolarHBondContact O-N 3.5Å; Q328-Y330 VanDerWaalsContact C-N 3.31Å; Q328-Y330 PolarHBondContact O-N 3.11Å; Y330-V334 HydrophobicContact CD1-CB 4.4Å; Y330-V334 HydrophobicContact CD2-CB 4.04Å; Y330-V334 HydrophobicContact CD2-CG1 4.41Å; Y330-V334 HydrophobicContact CD2-CG2 3.74Å; Y330-V334 HydrophobicContact CE1-CB 4.37Å; Y330-V334 HydrophobicContact CE1-CG1 4.31Å; Y330-V334 HydrophobicContact CE2-CB 4Å; Y330-V334 HydrophobicContact CE2-CG1 3.86Å; Y330-V334 HydrophobicContact CE2-CG2 3.94Å; Y330-V334 HydrophobicContact CG-CB 4.23Å; Y330-V334 HydrophobicContact CG-CG2 4.25Å; Y330-V334 WeakPolarHBondContact O-CA 3.39Å; Y330-V334 VanDerWaalsContact O-CB 3.26Å; Y330-V334 WeakPolarHBondContact O-CB 3.4Å; Y330-V334 PolarHBondContact O-N 3.21Å; Y330-L335 HydrophobicContact CD1-CD1 3.76Å; Y330-L335 HydrophobicContact CD1-CD2 4.43Å; Y330-L335 HydrophobicContact CD1-CG 3.75Å; Y330-L335 HydrophobicContact CE1-CD1 3.77Å; Y330-L335 HydrophobicContact CE1-CD2 3.76Å; Y330-L335 HydrophobicContact CE1-CG 3.59Å; Y330-L335 PolarHBondContact O-N 3.35Å; Y330-L342 HydrophobicContact CD1-CD1 4.44Å; Y330-F345 HydrophobicContact CD1-CB 4.08Å; Y330-F345 AromaticContact CD1-CD1 3.98Å; Y330-F345 HydrophobicContact CD1-CD1 3.98Å; Y330-F345 AromaticContact CD1-CD2 3.85Å; Y330-F345 HydrophobicContact CD1-CD2 3.85Å; Y330-F345 HydrophobicContact CD1-CE1 4.39Å; Y330-F345 HydrophobicContact CD1-CE2 4.27Å; Y330-F345 AromaticContact CD1-CG 3.7Å; Y330-F345 HydrophobicContact CD1-CG 3.7Å; Y330-F345 AromaticContact CD2-CD2 3.93Å; Y330-F345 HydrophobicContact CD2-CD2 3.93Å; Y330-F345 HydrophobicContact CD2-CE1 4.41Å; Y330-F345 AromaticContact CD2-CE2 3.59Å; Y330-F345 HydrophobicContact CD2-CE2 3.59Å; Y330-F345 HydrophobicContact CD2-CG 4.49Å; Y330-F345 AromaticContact CD2-CZ 3.85Å; Y330-F345 HydrophobicContact CD2-CZ 3.85Å; Y330-F345 HydrophobicContact CE1-CB 3.91Å; Y330-F345 AromaticContact CE1-CD2 3.66Å; Y330-F345 HydrophobicContact CE1-CD2 3.66Å; Y330-F345 HydrophobicContact CE1-CE2 4.33Å; Y330-F345 AromaticContact CE1-CG 3.78Å; Y330-F345 HydrophobicContact CE1-CG 3.78Å; Y330-F345 AromaticContact CE2-CD2 3.75Å; Y330-F345 HydrophobicContact CE2-CD2 3.75Å; Y330-F345 AromaticContact CE2-CE2 3.66Å; Y330-F345 HydrophobicContact CE2-CE2 3.66Å; Y330-F345 HydrophobicContact CE2-CZ 4.39Å; Y330-F345 HydrophobicContact CG-CD1 4.09Å; Y330-F345 AromaticContact CG-CD2 3.98Å; Y330-F345 HydrophobicContact CG-CD2 3.98Å; Y330-F345 HydrophobicContact CG-CE1 4.02Å; Y330-F345 AromaticContact CG-CE2 3.92Å; Y330-F345 HydrophobicContact CG-CE2 3.92Å; Y330-F345 HydrophobicContact CG-CG 4.08Å; Y330-F345 AromaticContact CG-CZ 3.94Å; Y330-F345 HydrophobicContact CG-CZ 3.94Å; Y330-F345 AromaticContact CZ-CD2 3.62Å
331L95.3Very high94.2Very high38 Ų3864.8 Ų64.820%0.19932%0.319CS..Iπ-helixtrans-60.7-48.7176.7179.462.5000111.6K327 Q328 L335 K336 G337 D338 V339 L342K327-L331 VanDerWaalsContact O-CB 3.3Å; K327-L331 WeakPolarHBondContact O-CB 3.46Å; K327-L331 PolarHBondContact O-N 3.31Å; Q328-L331 PolarHBondContact O-N 3.07Å; L331-L335 HydrophobicContact CD1-CB 4.31Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 CarbonylContact O-C 3.6Å; L331-K336 PolarHBondContact O-N 2.93Å; L331-G337 PolarHBondContact O-N 3.37Å; L331-D338 WeakPolarHBondContact CD1-O 3.48Å; L331-V339 HydrophobicContact CD1-CG2 4.3Å; L331-V339 HydrophobicContact CD2-CG2 4.47Å; L331-L342 HydrophobicContact CB-CD1 4.21Å; L331-L342 HydrophobicContact CD2-CD2 4.49Å
332E94.8Very high93.8Very high128 Ų12866.1 Ų66.160%0.59833%0.327SS*.Iπ-helixtrans-72.5-49.3-175.3-70.3173-171.200112.1Q328Q328-E332 WeakPolarHBondContact O-CB 3.35Å; Q328-E332 WeakPolarHBondContact O-CG 3.38Å; Q328-E332 PolarHBondContact O-N 3.44Å
333R94.3Very high93.3Very high122 Ų12270.9 Ų70.946%0.4636%0.36SS..Iπ-helixtrans-92.7-29.4-168.9-58-175.2-179.5-176.11.8113.8E285 F288 L329E285-R333 IonicContact OE1-CZ 3.62Å; E285-R333 IonicContact OE1-NH1 3.29Å; E285-R333 PolarHBondContact OE1-NH1 3.45Å; E285-R333 IonicContact OE1-NH2 3.32Å; E285-R333 PolarHBondContact OE1-NH2 2.9Å; F288-R333 HydrophobicContact CE1-CB 4.32Å; F288-R333 HydrophobicContact CZ-CB 4.12Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.48Å; L329-R333 PolarHBondContact O-N 3.5Å
334V93.1Very high92.9Very high55 Ų5575.8 Ų75.833%0.33338%0.381SS..Iπ-helixtrans-102.1-51-177.8-172.60000111.2F288 Y330F288-V334 HydrophobicContact CE2-CG2 4.02Å; F288-V334 HydrophobicContact CZ-CG2 3.73Å; Y330-V334 HydrophobicContact CD1-CB 4.4Å; Y330-V334 HydrophobicContact CD2-CB 4.04Å; Y330-V334 HydrophobicContact CD2-CG1 4.41Å; Y330-V334 HydrophobicContact CD2-CG2 3.74Å; Y330-V334 HydrophobicContact CE1-CB 4.37Å; Y330-V334 HydrophobicContact CE1-CG1 4.31Å; Y330-V334 HydrophobicContact CE2-CB 4Å; Y330-V334 HydrophobicContact CE2-CG1 3.86Å; Y330-V334 HydrophobicContact CE2-CG2 3.94Å; Y330-V334 HydrophobicContact CG-CB 4.23Å; Y330-V334 HydrophobicContact CG-CG2 4.25Å; Y330-V334 WeakPolarHBondContact O-CA 3.39Å; Y330-V334 VanDerWaalsContact O-CB 3.26Å; Y330-V334 WeakPolarHBondContact O-CB 3.4Å; Y330-V334 PolarHBondContact O-N 3.21Å
335L92.9Very high92.6Very high28 Ų2875.1 Ų75.115%0.14738%0.379CS..SBendtrans-85.5-8.2-177.5-58.7-179.8000113.6Y330 L331 G337 D338 K341 L342Y330-L335 HydrophobicContact CD1-CD1 3.76Å; Y330-L335 HydrophobicContact CD1-CD2 4.43Å; Y330-L335 HydrophobicContact CD1-CG 3.75Å; Y330-L335 HydrophobicContact CE1-CD1 3.77Å; Y330-L335 HydrophobicContact CE1-CD2 3.76Å; Y330-L335 HydrophobicContact CE1-CG 3.59Å; Y330-L335 PolarHBondContact O-N 3.35Å; L331-L335 HydrophobicContact CD1-CB 4.31Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 CarbonylContact O-C 3.6Å; L335-G337 PolarHBondContact O-N 3.13Å; L335-D338 HydrophobicContact CB-CB 4.45Å; L335-D338 WeakPolarHBondContact O-CB 3.49Å; L335-D338 PolarHBondContact O-N 3.24Å; L335-K341 HydrophobicContact CD1-CB 4.05Å; L335-K341 HydrophobicContact CD2-CB 3.86Å; L335-K341 HydrophobicContact CD2-CD 4.35Å; L335-L342 HydrophobicContact CD1-CB 4.07Å; L335-L342 HydrophobicContact CD1-CD1 3.99Å
336K93Very high92.5Very high186 Ų18681.1 Ų81.181%0.80940%0.404SS*.THydrogen-bonded Turntrans53.538.3179.8-55.4-176.5179.1-177.20113L331L331-K336 PolarHBondContact O-N 2.93Å
337G91.9Very high92.4Very high48 Ų4882.2 Ų82.250%0.49541%0.41SS..THydrogen-bonded Turntrans88.91.4178.200000116L331 L335 V339L331-G337 PolarHBondContact O-N 3.37Å; L335-G337 PolarHBondContact O-N 3.13Å; G337-V339 PolarHBondContact O-N 2.81Å; G337-V339 VanDerWaalsContact O-N 3.14Å
338D91.1Very high92.4Very high49 Ų4985.6 Ų85.626%0.26242%0.421SS..  trans-75.699177.3-173.7-19.9000111.5L331 L335 D340 K341L331-D338 WeakPolarHBondContact CD1-O 3.48Å; L335-D338 HydrophobicContact CB-CB 4.45Å; L335-D338 WeakPolarHBondContact O-CB 3.49Å; L335-D338 PolarHBondContact O-N 3.24Å; D338-D340 PolarHBondContact OD1-N 3Å; D338-K341 PolarHBondContact OD1-N 3.05Å; D338-K341 WeakPolarHBondContact OD2-CD 3.43Å; D338-K341 VanDerWaalsContact OD2-CE 3.3Å; D338-K341 WeakPolarHBondContact OD2-CE 3.43Å; D338-K341 IonicContact OD2-NZ 2.71Å; D338-K341 PolarHBondContact OD2-NZ 2.61Å
339V90.8Very high92.5Very high93 Ų9382.8 Ų82.856%0.56441%0.408SS*.Hα-helixtrans-71-29.5-176.7-172.80000112.2L331 G337 K341 L342L331-V339 HydrophobicContact CD1-CG2 4.3Å; L331-V339 HydrophobicContact CD2-CG2 4.47Å; G337-V339 PolarHBondContact O-N 2.81Å; G337-V339 VanDerWaalsContact O-N 3.14Å; V339-K341 VanDerWaalsContact C-N 3.27Å; V339-K341 PolarHBondContact O-N 3.02Å; V339-L342 WeakPolarHBondContact O-CB 3.37Å; V339-L342 PolarHBondContact O-N 2.93Å
340D88.8Confident92.5Very high137 Ų13783 Ų8373%0.73341%0.409SS*.Hα-helixtrans-65.3-36.6-177.5-66.8-26.9000110.8D338 L342 S343D338-D340 PolarHBondContact OD1-N 3Å; D340-L342 VanDerWaalsContact C-N 3.31Å; D340-L342 PolarHBondContact O-N 3.02Å; D340-S343 PolarHBondContact O-OG 2.78Å
341K88.7Confident92.4Very high109 Ų10984.2 Ų84.247%0.47442%0.418SS..Hα-helixtrans-73.7-18.7175.8-69.9-176.1-175.5122.50113.8L335 D338 V339 S343 K344L335-K341 HydrophobicContact CD1-CB 4.05Å; L335-K341 HydrophobicContact CD2-CB 3.86Å; L335-K341 HydrophobicContact CD2-CD 4.35Å; D338-K341 PolarHBondContact OD1-N 3.05Å; D338-K341 WeakPolarHBondContact OD2-CD 3.43Å; D338-K341 VanDerWaalsContact OD2-CE 3.3Å; D338-K341 WeakPolarHBondContact OD2-CE 3.43Å; D338-K341 IonicContact OD2-NZ 2.71Å; D338-K341 PolarHBondContact OD2-NZ 2.61Å; V339-K341 VanDerWaalsContact C-N 3.27Å; V339-K341 PolarHBondContact O-N 3.02Å; K341-S343 PolarHBondContact O-N 3.41Å; K341-K344 WeakPolarHBondContact O-CB 3.49Å; K341-K344 PolarHBondContact O-N 3Å
342L89.2Confident92.4Very high41 Ų4183.2 Ų83.222%0.21541%0.414CS..Hα-helixtrans-63.2-30.5178.6-168.267.5000111.6Y330 L331 L335 V339 D340 K344 F345Y330-L342 HydrophobicContact CD1-CD1 4.44Å; L331-L342 HydrophobicContact CB-CD1 4.21Å; L331-L342 HydrophobicContact CD2-CD2 4.49Å; L335-L342 HydrophobicContact CD1-CB 4.07Å; L335-L342 HydrophobicContact CD1-CD1 3.99Å; V339-L342 WeakPolarHBondContact O-CB 3.37Å; V339-L342 PolarHBondContact O-N 2.93Å; D340-L342 VanDerWaalsContact C-N 3.31Å; D340-L342 PolarHBondContact O-N 3.02Å; L342-K344 PolarHBondContact O-N 2.82Å; L342-F345 HydrophobicContact CD1-CB 4.44Å; L342-F345 HydrophobicContact CD1-CD1 4.35Å; L342-F345 WeakPolarHBondContact O-CB 3.44Å; L342-F345 PolarHBondContact O-N 2.95Å
343S87.1Confident92.2Very high103 Ų10382.7 Ų82.772%0.7242%0.422SS*.THydrogen-bonded Turntrans-58.5-26.8174.666.40000113.7D340 K341D340-S343 PolarHBondContact O-OG 2.78Å; K341-S343 PolarHBondContact O-N 3.41Å
344K88.1Confident92Very high171 Ų17182.7 Ų82.774%0.74342%0.422SS*.THydrogen-bonded Turntrans-84.5-15.7178.2-60.6-178.4-179.7178.60112.7K341 L342 K346K341-K344 WeakPolarHBondContact O-CB 3.49Å; K341-K344 PolarHBondContact O-N 3Å; L342-K344 PolarHBondContact O-N 2.82Å; K344-K346 PolarHBondContact O-N 2.96Å
345F91.2Very high92.1Very high23 Ų2381 Ų8110%0.10141%0.409CS..  trans-75.4105.3179.7178.8-124000110Y303 K327 Y330 L342 I347Y303-F345 AromaticContact CD1-CE2 3.88Å; Y303-F345 HydrophobicContact CD1-CE2 3.88Å; Y303-F345 AromaticContact CD1-CZ 3.6Å; Y303-F345 HydrophobicContact CD1-CZ 3.6Å; Y303-F345 AromaticContact CD2-CE2 3.72Å; Y303-F345 HydrophobicContact CD2-CE2 3.72Å; Y303-F345 HydrophobicContact CD2-CZ 4.29Å; Y303-F345 HydrophobicContact CE1-CE2 4.16Å; Y303-F345 AromaticContact CE1-CZ 3.78Å; Y303-F345 HydrophobicContact CE1-CZ 3.78Å; Y303-F345 AromaticContact CE2-CE2 4Å; Y303-F345 HydrophobicContact CE2-CE2 4Å; Y303-F345 HydrophobicContact CE2-CZ 4.43Å; Y303-F345 AromaticContact CG-CE2 3.65Å; Y303-F345 HydrophobicContact CG-CE2 3.65Å; Y303-F345 AromaticContact CG-CZ 3.88Å; Y303-F345 HydrophobicContact CG-CZ 3.88Å; K327-F345 HydrophobicContact CG-CD1 4.25Å; K327-F345 HydrophobicContact CG-CE1 4.22Å; Y330-F345 HydrophobicContact CD1-CB 4.08Å; Y330-F345 AromaticContact CD1-CD1 3.98Å; Y330-F345 HydrophobicContact CD1-CD1 3.98Å; Y330-F345 AromaticContact CD1-CD2 3.85Å; Y330-F345 HydrophobicContact CD1-CD2 3.85Å; Y330-F345 HydrophobicContact CD1-CE1 4.39Å; Y330-F345 HydrophobicContact CD1-CE2 4.27Å; Y330-F345 AromaticContact CD1-CG 3.7Å; Y330-F345 HydrophobicContact CD1-CG 3.7Å; Y330-F345 AromaticContact CD2-CD2 3.93Å; Y330-F345 HydrophobicContact CD2-CD2 3.93Å; Y330-F345 HydrophobicContact CD2-CE1 4.41Å; Y330-F345 AromaticContact CD2-CE2 3.59Å; Y330-F345 HydrophobicContact CD2-CE2 3.59Å; Y330-F345 HydrophobicContact CD2-CG 4.49Å; Y330-F345 AromaticContact CD2-CZ 3.85Å; Y330-F345 HydrophobicContact CD2-CZ 3.85Å; Y330-F345 HydrophobicContact CE1-CB 3.91Å; Y330-F345 AromaticContact CE1-CD2 3.66Å; Y330-F345 HydrophobicContact CE1-CD2 3.66Å; Y330-F345 HydrophobicContact CE1-CE2 4.33Å; Y330-F345 AromaticContact CE1-CG 3.78Å; Y330-F345 HydrophobicContact CE1-CG 3.78Å; Y330-F345 AromaticContact CE2-CD2 3.75Å; Y330-F345 HydrophobicContact CE2-CD2 3.75Å; Y330-F345 AromaticContact CE2-CE2 3.66Å; Y330-F345 HydrophobicContact CE2-CE2 3.66Å; Y330-F345 HydrophobicContact CE2-CZ 4.39Å; Y330-F345 HydrophobicContact CG-CD1 4.09Å; Y330-F345 AromaticContact CG-CD2 3.98Å; Y330-F345 HydrophobicContact CG-CD2 3.98Å; Y330-F345 HydrophobicContact CG-CE1 4.02Å; Y330-F345 AromaticContact CG-CE2 3.92Å; Y330-F345 HydrophobicContact CG-CE2 3.92Å; Y330-F345 HydrophobicContact CG-CG 4.08Å; Y330-F345 AromaticContact CG-CZ 3.94Å; Y330-F345 HydrophobicContact CG-CZ 3.94Å; Y330-F345 AromaticContact CZ-CD2 3.62Å; L342-F345 HydrophobicContact CD1-CB 4.44Å; L342-F345 HydrophobicContact CD1-CD1 4.35Å; L342-F345 WeakPolarHBondContact O-CB 3.44Å; L342-F345 PolarHBondContact O-N 2.95Å; F345-I347 HydrophobicContact CD1-CB 4.44Å; F345-I347 HydrophobicContact CD1-CG2 4.33Å; F345-I347 HydrophobicContact CE1-CB 3.84Å; F345-I347 HydrophobicContact CE1-CD1 4.32Å; F345-I347 HydrophobicContact CE1-CG2 4.03Å; F345-I347 HydrophobicContact CZ-CB 4.03Å; F345-I347 HydrophobicContact CZ-CD1 4.47Å
346K93.1Very high92.1Very high157 Ų15784.2 Ų84.268%0.68342%0.422SS*.  trans-89.7112175-63.5-160.3178.7-170.80109.4K304 K344K304-K346 HydrophobicContact CG-CB 4.48Å; K344-K346 PolarHBondContact O-N 2.96Å
347I95.3Very high92.1Very high23 Ų2377.2 Ų77.212%0.11839%0.392CS..  trans-117.1137.7171.5179.9169.7000108.6Y303 I306 E323 L326 K327 F345 I349Y303-I347 WeakPolarHBondContact O-CA 3.28Å; I306-I347 HydrophobicContact CD1-CD1 4.37Å; I306-I347 HydrophobicContact CD1-CG1 4.32Å; E323-I347 HydrophobicContact CG-CD1 4.34Å; E323-I347 HydrophobicContact CG-CG2 4.07Å; L326-I347 HydrophobicContact CB-CD1 3.55Å; L326-I347 HydrophobicContact CD1-CD1 3.49Å; L326-I347 VanDerWaalsContact CD1-CD1 3.49Å; L326-I347 HydrophobicContact CG-CD1 4.18Å; K327-I347 HydrophobicContact CD-CG2 4.39Å; K327-I347 VanDerWaalsContact CE-CG2 3.5Å; K327-I347 HydrophobicContact CG-CG2 4.16Å; F345-I347 HydrophobicContact CD1-CB 4.44Å; F345-I347 HydrophobicContact CD1-CG2 4.33Å; F345-I347 HydrophobicContact CE1-CB 3.84Å; F345-I347 HydrophobicContact CE1-CD1 4.32Å; F345-I347 HydrophobicContact CE1-CG2 4.03Å; F345-I347 HydrophobicContact CZ-CB 4.03Å; F345-I347 HydrophobicContact CZ-CD1 4.47Å; I347-I349 HydrophobicContact CD1-CD1 4.42Å; I347-I349 HydrophobicContact CD1-CG1 4.39Å; I347-I349 HydrophobicContact CG1-CG1 4.32Å
348R96.4Very high92.1Very high145 Ų14575 Ų7555%0.54737%0.369SS..  trans-140120.3171.9174.2-175.1-169.2-164.6-1.4108.8Y303 K304 I306 E350Y303-R348 PolarHBondContact O-N 2.96Å; K304-R348 VanDerWaalsContact O-CB 3.31Å; K304-R348 WeakPolarHBondContact O-CB 3.39Å; I306-R348 PolarHBondContact N-O 3.24Å; R348-E350 HydrophobicContact CG-CG 4.07Å; R348-E350 IonicContact CZ-OE1 3.62Å; R348-E350 VanDerWaalsContact CZ-OE1 3.23Å; R348-E350 IonicContact NE-OE1 2.75Å; R348-E350 PolarHBondContact NE-OE1 3.03Å; R348-E350 IonicContact NH1-OE1 3.68Å; R348-E350 PolarHBondContact NH1-OE1 3.34Å; R348-E350 IonicContact NH2-OE1 3.01Å
349I96.8Very high92.3Very high21 Ų2173 Ų7311%0.10836%0.359CS..EExtended strand (participates in β ladder)trans-105.6116.5172.3-56.2-176.9000106.4I306 L308 P319 L322 E323 L326 I347I306-I349 HydrophobicContact CB-CG1 4.23Å; I306-I349 HydrophobicContact CD1-CG1 4.22Å; I306-I349 HydrophobicContact CG2-CG1 4.31Å; I306-I349 HydrophobicContact CG2-CG2 4.36Å; I306-I349 CarbonylContact O-C 3.48Å; I306-I349 WeakPolarHBondContact O-CA 3.41Å; L308-I349 HydrophobicContact CD1-CG2 3.82Å; L308-I349 HydrophobicContact CD2-CG2 3.99Å; L308-I349 HydrophobicContact CG-CG2 3.73Å; P319-I349 HydrophobicContact CB-CG2 4.49Å; L322-I349 HydrophobicContact CB-CD1 3.57Å; E323-I349 HydrophobicContact CB-CD1 3.92Å; L326-I349 HydrophobicContact CD1-CD1 4.2Å; I347-I349 HydrophobicContact CD1-CD1 4.42Å; I347-I349 HydrophobicContact CD1-CG1 4.39Å; I347-I349 HydrophobicContact CG1-CG1 4.32Å
350E95.4Very high92.5Very high20 Ų2068.7 Ų68.79%0.09333%0.332CS..EExtended strand (participates in β ladder)trans-92.4119177.5-59.7-177.3-173.200108.6H305 I306 V307 L308 R348 P352H305-E350 IonicContact ND1-OE1 2.75Å; I306-E350 PolarHBondContact O-N 3.02Å; V307-E350 HydrophobicContact CG2-CB 4.35Å; L308-E350 PolarHBondContact N-O 3.41Å; R348-E350 HydrophobicContact CG-CG 4.07Å; R348-E350 IonicContact CZ-OE1 3.62Å; R348-E350 VanDerWaalsContact CZ-OE1 3.23Å; R348-E350 IonicContact NE-OE1 2.75Å; R348-E350 PolarHBondContact NE-OE1 3.03Å; R348-E350 IonicContact NH1-OE1 3.68Å; R348-E350 PolarHBondContact NH1-OE1 3.34Å; R348-E350 IonicContact NH2-OE1 3.01Å; E350-P352 VanDerWaalsContact O-CD 3.28Å; E350-P352 WeakPolarHBondContact O-CD 3.15Å
351D94.5Very high92.8Very high72 Ų7263.5 Ų63.539%0.38530%0.304SS..  trans-118.865.3179.869.4-48.2000112.1L308 P319 R355L308-D351 HydrophobicContact CD1-CB 3.94Å; P319-D351 HydrophobicContact CB-CB 4.1Å; P319-D351 HydrophobicContact CG-CB 3.62Å; P319-D351 WeakPolarHBondContact CG-OD2 3.47Å; D351-R355 PolarHBondContact O-NH1 3.27Å; D351-R355 IonicContact OD2-NH1 3.81Å
352P93.8Very high93Very high17 Ų1758.3 Ų58.311%0.1128%0.282CS..  trans-50.3141.4-177.6-26.534.6000112.3Q154 E350 R354 R355 M358Q154-P352 VanDerWaalsContact CD-CG 3.47Å; Q154-P352 HydrophobicContact CG-CG 4.28Å; E350-P352 VanDerWaalsContact O-CD 3.28Å; E350-P352 WeakPolarHBondContact O-CD 3.15Å; P352-R354 PolarHBondContact O-N 3.24Å; P352-R354 VanDerWaalsContact O-N 3.11Å; P352-R355 WeakPolarHBondContact O-CB 3.49Å; P352-R355 WeakPolarHBondContact O-CD 3.49Å; P352-R355 WeakPolarHBondContact O-CG 3.46Å; P352-R355 PolarHBondContact O-N 3.5Å; P352-R355 PolarHBondContact O-NH1 3.46Å; P352-M358 HydrophobicContact CB-CE 4.11Å; P352-M358 HydrophobicContact CG-CE 3.62Å
353P91.8Very high93.3Very high116 Ų11656.3 Ų56.375%0.75327%0.271SS*.THydrogen-bonded Turntrans-62.7-25.2-177.423.7-33.7000112.6R355P353-R355 VanDerWaalsContact C-N 3.34Å
354R90.1Very high93.7Very high122 Ų12251.4 Ų51.446%0.4624%0.237SC..THydrogen-bonded Turntrans-9315.3178-59.3-174.8-175.3175.73.2113.5P352 K356 H357P352-R354 PolarHBondContact O-N 3.24Å; P352-R354 VanDerWaalsContact O-N 3.11Å; R354-K356 PolarHBondContact O-N 3.04Å; R354-K356 VanDerWaalsContact O-N 3.09Å; R354-H357 PolarHBondContact O-N 2.88Å
355R94.1Very high93.9Very high21 Ų2146.3 Ų46.38%0.07922%0.22CC..G310 helixtrans-60.2-22.9-173.664.8-172.9177.6-93.54.1115.4L308 G310 T313 M314 D351 P352 P353 H357 M358L308-R355 VanDerWaalsContact O-CB 3.28Å; L308-R355 WeakPolarHBondContact O-CB 3.46Å; G310-R355 PolarHBondContact N-O 2.86Å; T313-R355 PolarHBondContact O-NE 3.34Å; T313-R355 PolarHBondContact O-NH2 2.86Å; M314-R355 HydrophobicContact SD-CG 3.38Å; M314-R355 WeakPolarHBondContact SD-CG 3.36Å; D351-R355 PolarHBondContact O-NH1 3.27Å; D351-R355 IonicContact OD2-NH1 3.81Å; P352-R355 WeakPolarHBondContact O-CB 3.49Å; P352-R355 WeakPolarHBondContact O-CD 3.49Å; P352-R355 WeakPolarHBondContact O-CG 3.46Å; P352-R355 PolarHBondContact O-N 3.5Å; P352-R355 PolarHBondContact O-NH1 3.46Å; P353-R355 VanDerWaalsContact C-N 3.34Å; R355-H357 PolarHBondContact O-N 3.35Å; R355-H357 VanDerWaalsContact O-N 3.14Å; R355-M358 HydrophobicContact CB-CE 3.69Å; R355-M358 PolarHBondContact O-N 3.06Å
356K93.1Very high94Very high95 Ų9546.1 Ų46.141%0.41322%0.22SC..G310 helixtrans-54-32.2175.2-171.2176.8179.1174.70113.4M314 R354M314-K356 HydrophobicContact CG-CB 4.13Å; M314-K356 HydrophobicContact SD-CB 4.05Å; R354-K356 PolarHBondContact O-N 3.04Å; R354-K356 VanDerWaalsContact O-N 3.09Å
357H92.1Very high94Very high38 Ų3838.6 Ų38.618%0.17619%0.187CC..G310 helixtrans-12824.7-175.7-54.5-57.6000112.4P28 R354 R355 V359 F360 L361P28-H357 HydrophobicContact CG-CB 4.07Å; R354-H357 PolarHBondContact O-N 2.88Å; R355-H357 PolarHBondContact O-N 3.35Å; R355-H357 VanDerWaalsContact O-N 3.14Å; H357-V359 VanDerWaalsContact C-N 3.28Å; H357-V359 PolarHBondContact O-N 3.45Å; H357-F360 PolarHBondContact O-N 3.38Å; H357-F360 VanDerWaalsContact O-N 3.1Å; H357-L361 PolarHBondContact O-N 3.21Å
358M93Very high93.9Very high3 Ų340.4 Ų40.42%0.01520%0.197CC..Hα-helixtrans-62.5-35.8-172.7-163.6-167.6-56.200112.8T150 A153 Q154 V307 L308 P352 R355 F360 L361 G362T150-M358 HydrophobicContact CG2-CB 4.03Å; T150-M358 HydrophobicContact CG2-CG 4.15Å; T150-M358 HydrophobicContact CG2-SD 4.05Å; A153-M358 HydrophobicContact CB-CG 3.81Å; Q154-M358 HydrophobicContact CG-SD 4.25Å; V307-M358 HydrophobicContact CG1-CE 3.75Å; V307-M358 HydrophobicContact CG1-SD 3.76Å; L308-M358 WeakPolarHBondContact O-CE 3.35Å; P352-M358 HydrophobicContact CB-CE 4.11Å; P352-M358 HydrophobicContact CG-CE 3.62Å; R355-M358 HydrophobicContact CB-CE 3.69Å; R355-M358 PolarHBondContact O-N 3.06Å; M358-F360 PolarHBondContact O-N 2.89Å; M358-L361 PolarHBondContact O-N 2.84Å; M358-G362 PolarHBondContact O-N 3.43Å
359V94.8Very high93.7Very high7 Ų738.7 Ų38.74%0.04220%0.198CC..Hα-helixtrans-54.3-51.8172.2172.30000111.1D12 T115 Q146 L149 T150 H357 G362 G363D12-V359 HydrophobicContact CB-CG1 4.35Å; T115-V359 HydrophobicContact CG2-CG1 3.75Å; Q146-V359 HydrophobicContact CB-CG1 4.13Å; Q146-V359 HydrophobicContact CB-CG2 4Å; Q146-V359 HydrophobicContact CG-CG1 3.74Å; Q146-V359 HydrophobicContact CG-CG2 4.29Å; L149-V359 HydrophobicContact CD1-CG1 4.39Å; T150-V359 HydrophobicContact CG2-CB 4.34Å; T150-V359 HydrophobicContact CG2-CG2 3.51Å; H357-V359 VanDerWaalsContact C-N 3.28Å; H357-V359 PolarHBondContact O-N 3.45Å; V359-G362 PolarHBondContact O-N 2.94Å; V359-G363 PolarHBondContact O-N 2.8Å
360F95.8Very high93.4Very high1 Ų139.6 Ų39.60%0.00420%0.202CC..Hα-helixtrans-62.7-44.2178.2174.1-88000111.1V10 K19 P28 H357 M358 G362 G363 A364V10-F360 HydrophobicContact CB-CD2 4.31Å; V10-F360 HydrophobicContact CB-CE2 3.83Å; V10-F360 HydrophobicContact CB-CZ 4.45Å; V10-F360 HydrophobicContact CG1-CD2 3.85Å; V10-F360 HydrophobicContact CG1-CE2 3.89Å; K19-F360 HydrophobicContact CB-CB 4.49Å; K19-F360 HydrophobicContact CB-CD2 4.4Å; P28-F360 VanDerWaalsContact CA-CE1 3.44Å; P28-F360 HydrophobicContact CB-CD1 4.05Å; P28-F360 HydrophobicContact CB-CD2 4.32Å; P28-F360 HydrophobicContact CB-CE1 4.07Å; P28-F360 HydrophobicContact CB-CE2 4.33Å; P28-F360 HydrophobicContact CB-CG 4.19Å; P28-F360 HydrophobicContact CB-CZ 4.22Å; P28-F360 HydrophobicContact CG-CB 4.23Å; P28-F360 HydrophobicContact CG-CD1 3.57Å; P28-F360 HydrophobicContact CG-CD2 4.38Å; P28-F360 HydrophobicContact CG-CE1 4.04Å; P28-F360 HydrophobicContact CG-CG 3.78Å; H357-F360 PolarHBondContact O-N 3.38Å; H357-F360 VanDerWaalsContact O-N 3.1Å; M358-F360 PolarHBondContact O-N 2.89Å; F360-G362 PolarHBondContact O-N 3.16Å; F360-G363 CarbonylContact O-C 3.58Å; F360-G363 PolarHBondContact O-N 3.35Å; F360-A364 HydrophobicContact CE1-CB 4.14Å; F360-A364 HydrophobicContact CZ-CB 4.47Å; F360-A364 WeakPolarHBondContact O-CB 3.45Å; F360-A364 PolarHBondContact O-N 3.16Å
361L94.1Very high93.2Very high28 Ų2841 Ų4115%0.14721%0.207CC..Hα-helixtrans-60.7-45.3179.7-175.265000111.6H357 M358 G363 A364 V365H357-L361 PolarHBondContact O-N 3.21Å; M358-L361 PolarHBondContact O-N 2.84Å; L361-G363 VanDerWaalsContact C-N 3.32Å; L361-G363 PolarHBondContact O-N 2.99Å; L361-A364 PolarHBondContact O-N 3.14Å; L361-V365 WeakPolarHBondContact O-CG2 3.42Å; L361-V365 PolarHBondContact O-N 3.22Å
362G94.1Very high93Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-61.6-41.1174.700000112.3L149 M358 V359 F360 L366L149-G362 WeakPolarHBondContact O-CA 3.3Å; M358-G362 PolarHBondContact O-N 3.43Å; V359-G362 PolarHBondContact O-N 2.94Å; F360-G362 PolarHBondContact O-N 3.16Å; G362-L366 VanDerWaalsContact O-CB 3.26Å; G362-L366 WeakPolarHBondContact O-CB 3.37Å; G362-L366 PolarHBondContact O-N 2.77Å
363G95.1Very high92.8Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-62-43.5172.900000112.9V359 F360 L361 L366 A367V359-G363 PolarHBondContact O-N 2.8Å; F360-G363 CarbonylContact O-C 3.58Å; F360-G363 PolarHBondContact O-N 3.35Å; L361-G363 VanDerWaalsContact C-N 3.32Å; L361-G363 PolarHBondContact O-N 2.99Å; G363-L366 PolarHBondContact O-N 2.73Å; G363-A367 WeakPolarHBondContact O-CB 3.42Å; G363-A367 PolarHBondContact O-N 2.76Å
364A94.8Very high92.2Very high0 Ų044.9 Ų44.90%022%0.216CC..Hα-helixtrans-65-41.1178.700000112.3G24 S25 F360 L361 D368G24-A364 PolarHBondContact N-O 2.91Å; S25-A364 WeakPolarHBondContact O-CB 3.42Å; F360-A364 HydrophobicContact CE1-CB 4.14Å; F360-A364 HydrophobicContact CZ-CB 4.47Å; F360-A364 WeakPolarHBondContact O-CB 3.45Å; F360-A364 PolarHBondContact O-N 3.16Å; L361-A364 PolarHBondContact O-N 3.14Å; A364-D368 WeakPolarHBondContact O-CB 3.33Å; A364-D368 PolarHBondContact O-N 3.4Å; A364-D368 VanDerWaalsContact O-N 3.12Å
365V92.8Very high92Very high63 Ų6346 Ų4638%0.38223%0.231SC..Hα-helixtrans-67.3-49.8175.21720000110.7L361 A367 D368 I369L361-V365 WeakPolarHBondContact O-CG2 3.42Å; L361-V365 PolarHBondContact O-N 3.22Å; V365-A367 PolarHBondContact O-N 2.95Å; V365-D368 PolarHBondContact O-N 2.88Å; V365-I369 HydrophobicContact CG1-CD1 3.69Å; V365-I369 VanDerWaalsContact O-CG1 3.31Å; V365-I369 WeakPolarHBondContact O-CG1 3.24Å; V365-I369 PolarHBondContact O-N 3.3Å
366L93Very high91.7Very high19 Ų1946.1 Ų46.110%0.09923%0.232CC..Hα-helixtrans-61-45.8179.8-178.764.7000111.4L113 Y142 L149 Y152 G362 G363 D368 I369 M370 F376L113-L366 HydrophobicContact CD1-CD2 4.25Å; Y142-L366 HydrophobicContact CE1-CD2 4.34Å; L149-L366 HydrophobicContact CD2-CB 4.27Å; L149-L366 HydrophobicContact CD2-CD2 3.57Å; Y152-L366 HydrophobicContact CD2-CD1 4.39Å; Y152-L366 HydrophobicContact CD2-CD2 4.48Å; G362-L366 VanDerWaalsContact O-CB 3.26Å; G362-L366 WeakPolarHBondContact O-CB 3.37Å; G362-L366 PolarHBondContact O-N 2.77Å; G363-L366 PolarHBondContact O-N 2.73Å; L366-D368 VanDerWaalsContact C-N 3.29Å; L366-D368 PolarHBondContact O-N 2.96Å; L366-I369 PolarHBondContact O-N 3.28Å; L366-M370 HydrophobicContact CD1-CE 4.25Å; L366-M370 HydrophobicContact CD1-CG 3.82Å; L366-M370 HydrophobicContact CG-CG 4.35Å; L366-M370 VanDerWaalsContact O-CB 3.29Å; L366-M370 WeakPolarHBondContact O-CB 3.5Å; L366-M370 VanDerWaalsContact O-CG 3.25Å; L366-M370 WeakPolarHBondContact O-CG 3.02Å; L366-M370 PolarHBondContact O-N 3.35Å; L366-F376 HydrophobicContact CD1-CE2 4.42Å; L366-F376 HydrophobicContact CD1-CZ 4.38Å; L366-F376 HydrophobicContact CD2-CE2 4.35Å; L366-F376 HydrophobicContact CD2-CZ 3.89Å; L366-F376 HydrophobicContact CG-CE2 4.44Å; L366-F376 HydrophobicContact CG-CZ 3.94Å
367A93.9Very high91.7Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-63.2-34.8179.100000112.3V8 V10 A23 L113 G363 V365 K371 W377V8-A367 HydrophobicContact CG1-CB 3.87Å; V10-A367 HydrophobicContact CG2-CB 3.78Å; A23-A367 HydrophobicContact CB-CB 3.73Å; L113-A367 HydrophobicContact CB-CB 4.36Å; L113-A367 HydrophobicContact CD1-CB 4.08Å; G363-A367 WeakPolarHBondContact O-CB 3.42Å; G363-A367 PolarHBondContact O-N 2.76Å; V365-A367 PolarHBondContact O-N 2.95Å; A367-K371 WeakPolarHBondContact O-CA 3.01Å; A367-K371 WeakPolarHBondContact O-CB 2.98Å; A367-K371 PolarHBondContact O-N 3.42Å; A367-W377 HydrophobicContact CB-CH2 4.38Å
368D92.9Very high91.8Very high60 Ų6039.9 Ų39.932%0.32121%0.205SC..Hα-helixtrans-72.9-40.7178.5-171.646.5000112.2A23 A364 V365 L366 M370 K371A23-D368 HydrophobicContact CB-CB 4.1Å; A364-D368 WeakPolarHBondContact O-CB 3.33Å; A364-D368 PolarHBondContact O-N 3.4Å; A364-D368 VanDerWaalsContact O-N 3.12Å; V365-D368 PolarHBondContact O-N 2.88Å; L366-D368 VanDerWaalsContact C-N 3.29Å; L366-D368 PolarHBondContact O-N 2.96Å; D368-M370 VanDerWaalsContact C-N 3.32Å; D368-M370 PolarHBondContact O-N 2.97Å; D368-K371 VanDerWaalsContact O-CD 3.27Å; D368-K371 WeakPolarHBondContact O-CD 3.46Å; D368-K371 WeakPolarHBondContact O-CE 3.35Å; D368-K371 VanDerWaalsContact O-CG 3.3Å; D368-K371 WeakPolarHBondContact O-CG 3.48Å; D368-K371 IonicContact OD1-NZ 2.71Å; D368-K371 PolarHBondContact OD1-NZ 3.47Å
369I90.9Very high91.9Very high110 Ų11041.5 Ų41.556%0.56421%0.214SC*.Hα-helixtrans-67.9-34.5176.6-63165.5000111.1V365 L366V365-I369 HydrophobicContact CG1-CD1 3.69Å; V365-I369 VanDerWaalsContact O-CG1 3.31Å; V365-I369 WeakPolarHBondContact O-CG1 3.24Å; V365-I369 PolarHBondContact O-N 3.3Å; L366-I369 PolarHBondContact O-N 3.28Å
370M92.4Very high91.8Very high40 Ų4045.3 Ų45.320%0.19723%0.228CC..Hα-helixtrans-99.11.6-174.3-59.9-62.3-143.500114.2L366 D368 D372 K373 F376 W377L366-M370 HydrophobicContact CD1-CE 4.25Å; L366-M370 HydrophobicContact CD1-CG 3.82Å; L366-M370 HydrophobicContact CG-CG 4.35Å; L366-M370 VanDerWaalsContact O-CB 3.29Å; L366-M370 WeakPolarHBondContact O-CB 3.5Å; L366-M370 VanDerWaalsContact O-CG 3.25Å; L366-M370 WeakPolarHBondContact O-CG 3.02Å; L366-M370 PolarHBondContact O-N 3.35Å; D368-M370 VanDerWaalsContact C-N 3.32Å; D368-M370 PolarHBondContact O-N 2.97Å; M370-D372 PolarHBondContact O-N 3.19Å; M370-D372 VanDerWaalsContact O-N 3.08Å; M370-K373 PolarHBondContact O-N 2.88Å; M370-K373 HydrophobicContact SD-CD 3.54Å; M370-K373 VanDerWaalsContact SD-CD 3.54Å; M370-K373 HydrophobicContact SD-CG 4.31Å; M370-K373 PolarHBondContact SD-NZ 3.35Å; M370-F376 HydrophobicContact CB-CB 4.28Å; M370-F376 HydrophobicContact CB-CD1 3.45Å; M370-F376 VanDerWaalsContact CB-CD1 3.45Å; M370-F376 HydrophobicContact CB-CD2 4.16Å; M370-F376 HydrophobicContact CB-CE1 3.67Å; M370-F376 HydrophobicContact CB-CE2 4.35Å; M370-F376 HydrophobicContact CB-CG 3.7Å; M370-F376 HydrophobicContact CB-CZ 4.11Å; M370-F376 HydrophobicContact CE-CD2 3.83Å; M370-F376 HydrophobicContact CE-CE2 4.07Å; M370-F376 HydrophobicContact CG-CD1 4.09Å; M370-F376 HydrophobicContact CG-CD2 3.9Å; M370-F376 HydrophobicContact CG-CE1 4.11Å; M370-F376 HydrophobicContact CG-CE2 3.93Å; M370-F376 HydrophobicContact CG-CG 3.97Å; M370-F376 HydrophobicContact CG-CZ 4.02Å; M370-F376 HydrophobicContact SD-CD2 4.27Å; M370-F376 HydrophobicContact SD-CG 4.46Å; M370-W377 PolarHBondContact O-NE1 3.21Å
371K91.2Very high91.6Very high48 Ų4852.1 Ų52.121%0.20926%0.26CS..THydrogen-bonded Turntrans-54.1-34.5-173.966.1-165.7170.9-162.50114.2D2 V8 K111 A367 D368D2-K371 HydrophobicContact CB-CB 4.19Å; D2-K371 HydrophobicContact CB-CG 4.44Å; V8-K371 HydrophobicContact CG2-CB 3.85Å; K111-K371 PolarHBondContact NZ-O 2.61Å; A367-K371 WeakPolarHBondContact O-CA 3.01Å; A367-K371 WeakPolarHBondContact O-CB 2.98Å; A367-K371 PolarHBondContact O-N 3.42Å; D368-K371 VanDerWaalsContact O-CD 3.27Å; D368-K371 WeakPolarHBondContact O-CD 3.46Å; D368-K371 WeakPolarHBondContact O-CE 3.35Å; D368-K371 VanDerWaalsContact O-CG 3.3Å; D368-K371 WeakPolarHBondContact O-CG 3.48Å; D368-K371 IonicContact OD1-NZ 2.71Å; D368-K371 PolarHBondContact OD1-NZ 3.47Å
372D89.4Confident91.5Very high74 Ų7452.9 Ų52.940%0.39626%0.263SS..THydrogen-bonded Turntrans-99.13.2-177-65.1-49.7000114.2S3 M370S3-D372 WeakPolarHBondContact CB-OD1 3.21Å; S3-D372 PolarHBondContact N-OD1 2.64Å; S3-D372 PolarHBondContact OG-OD1 3.21Å; M370-D372 PolarHBondContact O-N 3.19Å; M370-D372 VanDerWaalsContact O-N 3.08Å
373K89.6Confident91.5Very high111 Ų11153.9 Ų53.948%0.48327%0.267SS..  trans-94.2103.3-179.9-62.8-160.7-166.7169.30111.3M370 N375 F376M370-K373 PolarHBondContact O-N 2.88Å; M370-K373 HydrophobicContact SD-CD 3.54Å; M370-K373 VanDerWaalsContact SD-CD 3.54Å; M370-K373 HydrophobicContact SD-CG 4.31Å; M370-K373 PolarHBondContact SD-NZ 3.35Å; K373-N375 VanDerWaalsContact C-N 3.26Å; K373-N375 PolarHBondContact O-N 2.9Å; K373-F376 HydrophobicContact CB-CB 4.03Å; K373-F376 WeakPolarHBondContact O-CB 3.47Å; K373-F376 PolarHBondContact O-N 3.04Å
374D79.3Confident91.4Very high102 Ų10260.5 Ų60.555%0.54530%0.298SS..THydrogen-bonded Turntrans-61.9-32.1-178.4-62.6-36.2000113.4F376D374-F376 PolarHBondContact O-N 3.36Å
375N84.8Confident91.3Very high145 Ų14567.9 Ų67.978%0.77533%0.332SS*.THydrogen-bonded Turntrans-72-13.2176.4-72.5-4.5000114.1K373 K393K373-N375 VanDerWaalsContact C-N 3.26Å; K373-N375 PolarHBondContact O-N 2.9Å; N375-K393 WeakPolarHBondContact O-CE 3.34Å
376F89.6Confident91.1Very high25 Ų2571 Ų7111%0.1134%0.34CS..THydrogen-bonded Turntrans-85.5-41.3179.6177.8-99.7000111.7Y142 L366 M370 K373 D374Y142-F376 AromaticContact CD1-CE1 3.88Å; Y142-F376 HydrophobicContact CD1-CE1 3.88Å; Y142-F376 HydrophobicContact CD1-CE2 4.25Å; Y142-F376 AromaticContact CD1-CZ 3.47Å; Y142-F376 HydrophobicContact CD1-CZ 3.47Å; Y142-F376 VanDerWaalsContact CD1-CZ 3.47Å; Y142-F376 HydrophobicContact CD2-CD1 4.12Å; Y142-F376 HydrophobicContact CD2-CD2 4.29Å; Y142-F376 AromaticContact CD2-CE1 3.76Å; Y142-F376 HydrophobicContact CD2-CE1 3.76Å; Y142-F376 AromaticContact CD2-CE2 3.94Å; Y142-F376 HydrophobicContact CD2-CE2 3.94Å; Y142-F376 HydrophobicContact CD2-CG 4.39Å; Y142-F376 AromaticContact CD2-CZ 3.67Å; Y142-F376 HydrophobicContact CD2-CZ 3.67Å; Y142-F376 VanDerWaalsContact CD2-O 3.25Å; Y142-F376 WeakPolarHBondContact CD2-O 3.38Å; Y142-F376 HydrophobicContact CE1-CE1 4.28Å; Y142-F376 AromaticContact CE1-CE2 3.81Å; Y142-F376 HydrophobicContact CE1-CE2 3.81Å; Y142-F376 AromaticContact CE1-CZ 3.41Å; Y142-F376 HydrophobicContact CE1-CZ 3.41Å; Y142-F376 VanDerWaalsContact CE1-CZ 3.41Å; Y142-F376 AromaticContact CE2-CD2 3.89Å; Y142-F376 HydrophobicContact CE2-CD2 3.89Å; Y142-F376 HydrophobicContact CE2-CE1 4.15Å; Y142-F376 AromaticContact CE2-CE2 3.44Å; Y142-F376 HydrophobicContact CE2-CE2 3.44Å; Y142-F376 VanDerWaalsContact CE2-CE2 3.44Å; Y142-F376 HydrophobicContact CE2-CG 4.42Å; Y142-F376 AromaticContact CE2-CZ 3.61Å; Y142-F376 HydrophobicContact CE2-CZ 3.61Å; Y142-F376 HydrophobicContact CG-CD1 4.34Å; Y142-F376 AromaticContact CG-CE1 3.6Å; Y142-F376 HydrophobicContact CG-CE1 3.6Å; Y142-F376 HydrophobicContact CG-CE2 4.31Å; Y142-F376 AromaticContact CG-CZ 3.59Å; Y142-F376 HydrophobicContact CG-CZ 3.59Å; Y142-F376 AromaticContact CZ-CE2 3.38Å; Y142-F376 AromaticContact CZ-CZ 3.49Å; Y142-F376 VanDerWaalsContact CZ-CZ 3.49Å; L366-F376 HydrophobicContact CD1-CE2 4.42Å; L366-F376 HydrophobicContact CD1-CZ 4.38Å; L366-F376 HydrophobicContact CD2-CE2 4.35Å; L366-F376 HydrophobicContact CD2-CZ 3.89Å; L366-F376 HydrophobicContact CG-CE2 4.44Å; L366-F376 HydrophobicContact CG-CZ 3.94Å; M370-F376 HydrophobicContact CB-CB 4.28Å; M370-F376 HydrophobicContact CB-CD1 3.45Å; M370-F376 VanDerWaalsContact CB-CD1 3.45Å; M370-F376 HydrophobicContact CB-CD2 4.16Å; M370-F376 HydrophobicContact CB-CE1 3.67Å; M370-F376 HydrophobicContact CB-CE2 4.35Å; M370-F376 HydrophobicContact CB-CG 3.7Å; M370-F376 HydrophobicContact CB-CZ 4.11Å; M370-F376 HydrophobicContact CE-CD2 3.83Å; M370-F376 HydrophobicContact CE-CE2 4.07Å; M370-F376 HydrophobicContact CG-CD1 4.09Å; M370-F376 HydrophobicContact CG-CD2 3.9Å; M370-F376 HydrophobicContact CG-CE1 4.11Å; M370-F376 HydrophobicContact CG-CE2 3.93Å; M370-F376 HydrophobicContact CG-CG 3.97Å; M370-F376 HydrophobicContact CG-CZ 4.02Å; M370-F376 HydrophobicContact SD-CD2 4.27Å; M370-F376 HydrophobicContact SD-CG 4.46Å; K373-F376 HydrophobicContact CB-CB 4.03Å; K373-F376 WeakPolarHBondContact O-CB 3.47Å; K373-F376 PolarHBondContact O-N 3.04Å; D374-F376 PolarHBondContact O-N 3.36Å
377W93Very high91.1Very high2 Ų271.3 Ų71.31%0.00835%0.348CS..SBendtrans-82.9141.3-177.5-60.392.7000111V8 K111 I112 L113 A367 M370 K393V8-W377 HydrophobicContact CG1-CH2 3.51Å; V8-W377 HydrophobicContact CG1-CZ2 3.7Å; K111-W377 HydrophobicContact CB-CD2 4.39Å; K111-W377 HydrophobicContact CB-CE3 4.13Å; K111-W377 HydrophobicContact CB-CH2 4.28Å; K111-W377 HydrophobicContact CB-CZ3 4.08Å; K111-W377 HydrophobicContact CD-CD2 3.99Å; K111-W377 HydrophobicContact CD-CG 4.15Å; K111-W377 HydrophobicContact CG-CD2 4.43Å; I112-W377 WeakPolarHBondContact O-CZ3 3.5Å; L113-W377 HydrophobicContact CB-CH2 4.13Å; L113-W377 HydrophobicContact CB-CZ3 4.3Å; A367-W377 HydrophobicContact CB-CH2 4.38Å; M370-W377 PolarHBondContact O-NE1 3.21Å; W377-K393 PolarHBondContact O-NZ 3.45Å
378L93.9Very high90.8Very high0 Ų073 Ų730%036%0.359CS..EExtended strand (participates in β ladder)trans-77.3121.4162.5-51172.6000106.1I129 F133 G140 V141 V390 L391 K393 L394I129-L378 HydrophobicContact CD1-CD1 3.78Å; F133-L378 HydrophobicContact CE2-CB 4.41Å; F133-L378 HydrophobicContact CZ-CB 4.15Å; F133-L378 WeakPolarHBondContact CZ-O 3.31Å; G140-L378 CarbonylContact C-O 3.58Å; G140-L378 WeakPolarHBondContact CA-O 3.35Å; V141-L378 PolarHBondContact N-O 3.48Å; V141-L378 VanDerWaalsContact O-CB 3.29Å; V141-L378 WeakPolarHBondContact O-CB 3.35Å; V141-L378 WeakPolarHBondContact O-CG 3.37Å; V141-L378 PolarHBondContact O-N 3.12Å; L378-V390 HydrophobicContact CB-CG2 3.98Å; L378-V390 HydrophobicContact CD1-CG1 4.36Å; L378-V390 HydrophobicContact CD2-CG2 3.78Å; L378-V390 WeakPolarHBondContact CD2-O 3.49Å; L378-V390 HydrophobicContact CG-CG2 4.36Å; L378-L391 HydrophobicContact CD1-CD2 4.06Å; L378-K393 HydrophobicContact CD2-CB 3.97Å; L378-K393 HydrophobicContact CD2-CD 3.96Å; L378-K393 HydrophobicContact CD2-CG 4.36Å; L378-L394 HydrophobicContact CD1-CD1 3.88Å; L378-L394 HydrophobicContact CD1-CG 4.38Å; L378-L394 HydrophobicContact CD2-CG 4.19Å; L378-L394 HydrophobicContact CG-CD1 4.48Å
379T93.8Very high90.6Very high36 Ų3677.4 Ų77.422%0.22137%0.371CS..EExtended strand (participates in β ladder)trans-92.9156.2-178.472.40000111.2E381 E382 Y383T379-E381 PolarHBondContact O-N 3.26Å; T379-E382 PolarHBondContact N-OE2 2.99Å; T379-E382 PolarHBondContact O-N 3.42Å; T379-E382 VanDerWaalsContact OG1-CG 3.29Å; T379-E382 WeakPolarHBondContact OG1-CG 3.36Å; T379-E382 PolarHBondContact OG1-N 3.49Å; T379-Y383 PolarHBondContact O-N 2.88Å; T379-Y383 VanDerWaalsContact O-N 3.07Å
380R92.6Very high90.3Very high88 Ų8872.5 Ų72.533%0.33235%0.346SS..Hα-helixtrans-61.2-34.6174.9-169175.970.5-167.72.3112.3F133 Q137 A139 Y383 Q384F133-R380 HydrophobicContact CD1-CB 3.92Å; F133-R380 HydrophobicContact CD1-CG 4.02Å; F133-R380 HydrophobicContact CE1-CB 4.02Å; Q137-R380 PolarHBondContact O-NH1 2.78Å; A139-R380 PolarHBondContact O-N 3.46Å; R380-Y383 PolarHBondContact O-N 3.5Å; R380-Q384 WeakPolarHBondContact O-CG 3.33Å; R380-Q384 PolarHBondContact O-N 2.83Å
381E92Very high90Very high143 Ų14370.6 Ų70.667%0.66834%0.337SS*.Hα-helixtrans-63.4-48.6176.6-66.4171.4-175.400110.7T379 Y383 Q384 E385T379-E381 PolarHBondContact O-N 3.26Å; E381-Y383 VanDerWaalsContact C-N 3.26Å; E381-Y383 PolarHBondContact O-N 3.38Å; E381-Q384 PolarHBondContact O-N 2.79Å; E381-Q384 VanDerWaalsContact O-N 3.14Å; E381-E385 WeakPolarHBondContact O-CG 3.4Å; E381-E385 PolarHBondContact O-N 3.23Å; E381-E385 VanDerWaalsContact O-N 3.1Å
382E92.4Very high89.5Confident45 Ų4573.4 Ų73.421%0.2135%0.35CS..Hα-helixtrans-58.2-39.8175.1-72.1173.3151.100111.7T379 E385 K386 V390 K393T379-E382 PolarHBondContact N-OE2 2.99Å; T379-E382 PolarHBondContact O-N 3.42Å; T379-E382 VanDerWaalsContact OG1-CG 3.29Å; T379-E382 WeakPolarHBondContact OG1-CG 3.36Å; T379-E382 PolarHBondContact OG1-N 3.49Å; E382-E385 PolarHBondContact O-N 3.35Å; E382-K386 WeakPolarHBondContact O-CB 3.38Å; E382-K386 PolarHBondContact O-N 2.89Å; E382-V390 HydrophobicContact CB-CG2 3.74Å; E382-K393 IonicContact OE1-NZ 3.21Å; E382-K393 PolarHBondContact OE1-NZ 3.47Å; E382-K393 IonicContact OE2-NZ 2.74Å; E382-K393 PolarHBondContact OE2-NZ 3.44Å
383Y93.8Very high89Confident20 Ų2073.7 Ų73.78%0.07835%0.348CS..Hα-helixtrans-68-39.2176.9178.8-99.8000112.7I129 F133 E134 T379 R380 E381 E385 G387 V388 V390I129-Y383 HydrophobicContact CG2-CD2 3.76Å; I129-Y383 HydrophobicContact CG2-CE2 3.76Å; F133-Y383 HydrophobicContact CB-CD1 3.44Å; F133-Y383 VanDerWaalsContact CB-CD1 3.44Å; F133-Y383 HydrophobicContact CB-CE1 3.64Å; F133-Y383 HydrophobicContact CB-CG 3.94Å; F133-Y383 AromaticContact CD2-CD1 3.91Å; F133-Y383 HydrophobicContact CD2-CD1 3.91Å; F133-Y383 AromaticContact CD2-CD2 3.66Å; F133-Y383 HydrophobicContact CD2-CD2 3.66Å; F133-Y383 HydrophobicContact CD2-CE1 4.48Å; F133-Y383 HydrophobicContact CD2-CE2 4.27Å; F133-Y383 AromaticContact CD2-CG 3.45Å; F133-Y383 HydrophobicContact CD2-CG 3.45Å; F133-Y383 VanDerWaalsContact CD2-CG 3.45Å; F133-Y383 HydrophobicContact CE2-CD2 4.25Å; F133-Y383 HydrophobicContact CE2-CG 4.1Å; F133-Y383 AromaticContact CG-CD1 3.85Å; F133-Y383 HydrophobicContact CG-CD1 3.85Å; F133-Y383 HydrophobicContact CG-CD2 4.43Å; F133-Y383 HydrophobicContact CG-CE1 4.43Å; F133-Y383 AromaticContact CG-CG 3.84Å; F133-Y383 HydrophobicContact CG-CG 3.84Å; E134-Y383 HydrophobicContact CG-CE1 3.95Å; E134-Y383 PolarHBondContact OE1-OH 2.86Å; E134-Y383 VanDerWaalsContact OE1-OH 3.08Å; T379-Y383 PolarHBondContact O-N 2.88Å; T379-Y383 VanDerWaalsContact O-N 3.07Å; R380-Y383 PolarHBondContact O-N 3.5Å; E381-Y383 VanDerWaalsContact C-N 3.26Å; E381-Y383 PolarHBondContact O-N 3.38Å; Y383-E385 VanDerWaalsContact C-N 3.28Å; Y383-E385 PolarHBondContact O-N 2.97Å; Y383-G387 VanDerWaalsContact CD2-O 3.26Å; Y383-G387 WeakPolarHBondContact CD2-O 3.44Å; Y383-G387 WeakPolarHBondContact O-CA 3.49Å; Y383-G387 PolarHBondContact O-N 2.98Å; Y383-V388 HydrophobicContact CE2-CG2 4.28Å; Y383-V390 HydrophobicContact CD2-CG1 4.09Å
384Q92.8Very high88.2Confident139 Ų13970.5 Ų70.565%0.6534%0.336SS*.Hα-helixtrans-66.5-31.4177-74.9175.7-13.700112.4R380 E381R380-Q384 WeakPolarHBondContact O-CG 3.33Å; R380-Q384 PolarHBondContact O-N 2.83Å; E381-Q384 PolarHBondContact O-N 2.79Å; E381-Q384 VanDerWaalsContact O-N 3.14Å
385E92.8Very high87.6Confident155 Ų15568.9 Ų68.972%0.72434%0.344SS*.Hα-helixtrans-79.1-43.2177.6-69.3-179.9175.600113.4E381 E382 Y383E381-E385 WeakPolarHBondContact O-CG 3.4Å; E381-E385 PolarHBondContact O-N 3.23Å; E381-E385 VanDerWaalsContact O-N 3.1Å; E382-E385 PolarHBondContact O-N 3.35Å; Y383-E385 VanDerWaalsContact C-N 3.28Å; Y383-E385 PolarHBondContact O-N 2.97Å
386K90.1Very high86.6Confident128 Ų12862.5 Ų62.556%0.55731%0.31SS*.Hα-helixtrans-111-8.1-169.1-61.3177.4-175.9172.60113.8E382 R389E382-K386 WeakPolarHBondContact O-CB 3.38Å; E382-K386 PolarHBondContact O-N 2.89Å; K386-R389 HydrophobicContact CB-CB 4.44Å; K386-R389 PolarHBondContact O-N 3Å
387G91.3Very high85.1Confident26 Ų2666.8 Ų66.827%0.26834%0.338SS..G310 helixtrans58.1-139.8-168.800000111.6Y383 R389 V390Y383-G387 VanDerWaalsContact CD2-O 3.26Å; Y383-G387 WeakPolarHBondContact CD2-O 3.44Å; Y383-G387 WeakPolarHBondContact O-CA 3.49Å; Y383-G387 PolarHBondContact O-N 2.98Å; G387-R389 PolarHBondContact O-N 3.46Å; G387-R389 VanDerWaalsContact O-N 3.14Å; G387-V390 WeakPolarHBondContact O-CG1 3.46Å; G387-V390 PolarHBondContact O-N 2.93Å
388V88.8Confident83.3Confident37 Ų3767.9 Ų67.922%0.22435%0.345CS..G310 helixtrans-62.5-21.4-177.7178.40000113.5E126 Y383 V390 L391 V398E126-V388 HydrophobicContact CB-CG1 3.52Å; E126-V388 HydrophobicContact CG-CG1 3.29Å; Y383-V388 HydrophobicContact CE2-CG2 4.28Å; V388-V390 PolarHBondContact O-N 3.16Å; V388-L391 HydrophobicContact CG1-CD1 4.12Å; V388-L391 WeakPolarHBondContact O-CB 3.18Å; V388-L391 PolarHBondContact O-N 2.79Å; V388-L391 VanDerWaalsContact O-N 3.1Å; V388-V398 HydrophobicContact CG1-CG1 4.32Å
389R87.6Confident81.3Confident152 Ų15281.8 Ų81.857%0.57440%0.398SS*.G310 helixtrans-62.6-11.5177.7-65.6-174.5-179.9173.6-0.8113.8K386 G387 L391 E392 V398K386-R389 HydrophobicContact CB-CB 4.44Å; K386-R389 PolarHBondContact O-N 3Å; G387-R389 PolarHBondContact O-N 3.46Å; G387-R389 VanDerWaalsContact O-N 3.14Å; R389-L391 PolarHBondContact O-N 2.76Å; R389-E392 WeakPolarHBondContact O-CB 3.35Å; R389-E392 WeakPolarHBondContact O-CG 3.05Å; R389-E392 PolarHBondContact O-N 3.07Å; R389-V398 HydrophobicContact CG-CG1 4.48Å
390V86.1Confident80.6Confident6 Ų684.1 Ų84.14%0.03641%0.406CS..G310 helixtrans-52.7-27.6169.573.90000112.3I129 L378 E382 Y383 G387 V388 E392 K393I129-V390 HydrophobicContact CG2-CG1 4.16Å; L378-V390 HydrophobicContact CB-CG2 3.98Å; L378-V390 HydrophobicContact CD1-CG1 4.36Å; L378-V390 HydrophobicContact CD2-CG2 3.78Å; L378-V390 WeakPolarHBondContact CD2-O 3.49Å; L378-V390 HydrophobicContact CG-CG2 4.36Å; E382-V390 HydrophobicContact CB-CG2 3.74Å; Y383-V390 HydrophobicContact CD2-CG1 4.09Å; G387-V390 WeakPolarHBondContact O-CG1 3.46Å; G387-V390 PolarHBondContact O-N 2.93Å; V388-V390 PolarHBondContact O-N 3.16Å; V390-E392 PolarHBondContact O-N 3.03Å; V390-K393 VanDerWaalsContact O-CB 3.28Å; V390-K393 WeakPolarHBondContact O-CB 3.47Å; V390-K393 PolarHBondContact O-N 3.03Å
391L85.1Confident80Confident0 Ų083.9 Ų83.90%041%0.41CS..G310 helixtrans-63.2-18.1175.6-74.9175.3000114.8R125 E126 I129 L378 V388 R389 K393 L394 V396 V398R125-L391 HydrophobicContact CG-CD1 3.99Å; R125-L391 HydrophobicContact CG-CD2 3.94Å; E126-L391 HydrophobicContact CB-CD1 4.41Å; E126-L391 HydrophobicContact CG-CD1 3.84Å; I129-L391 HydrophobicContact CD1-CD2 4.25Å; I129-L391 HydrophobicContact CG1-CD1 4.18Å; I129-L391 HydrophobicContact CG1-CD2 3.67Å; I129-L391 HydrophobicContact CG1-CG 4.04Å; L378-L391 HydrophobicContact CD1-CD2 4.06Å; V388-L391 HydrophobicContact CG1-CD1 4.12Å; V388-L391 WeakPolarHBondContact O-CB 3.18Å; V388-L391 PolarHBondContact O-N 2.79Å; V388-L391 VanDerWaalsContact O-N 3.1Å; R389-L391 PolarHBondContact O-N 2.76Å; L391-K393 PolarHBondContact O-N 2.95Å; L391-L394 HydrophobicContact CD2-CD1 4.05Å; L391-L394 WeakPolarHBondContact O-CA 3.43Å; L391-L394 WeakPolarHBondContact O-CB 3.49Å; L391-L394 PolarHBondContact O-N 2.89Å; L391-V396 HydrophobicContact CB-CB 4.15Å; L391-V396 PolarHBondContact O-N 3.11Å; L391-V398 HydrophobicContact CB-CG2 4.15Å
392E81.9Confident79.3Confident107 Ų10780.6 Ų80.650%0.540%0.396SS..G310 helixtrans-59.9-28173.6-68.6174-176.300111.8R389 V390 L394 G395 V396R389-E392 WeakPolarHBondContact O-CB 3.35Å; R389-E392 WeakPolarHBondContact O-CG 3.05Å; R389-E392 PolarHBondContact O-N 3.07Å; V390-E392 PolarHBondContact O-N 3.03Å; E392-L394 PolarHBondContact O-N 3.33Å; E392-G395 PolarHBondContact O-N 2.85Å; E392-V396 WeakPolarHBondContact CA-O 3.23Å
393K77.5Confident78.6Confident81 Ų8182.7 Ų82.735%0.35241%0.407SS..G310 helixtrans-61.8-24173-168.8172.7174-176.10112.7N375 W377 L378 E382 V390 L391N375-K393 WeakPolarHBondContact O-CE 3.34Å; W377-K393 PolarHBondContact O-NZ 3.45Å; L378-K393 HydrophobicContact CD2-CB 3.97Å; L378-K393 HydrophobicContact CD2-CD 3.96Å; L378-K393 HydrophobicContact CD2-CG 4.36Å; E382-K393 IonicContact OE1-NZ 3.21Å; E382-K393 PolarHBondContact OE1-NZ 3.47Å; E382-K393 IonicContact OE2-NZ 2.74Å; E382-K393 PolarHBondContact OE2-NZ 3.44Å; V390-K393 VanDerWaalsContact O-CB 3.28Å; V390-K393 WeakPolarHBondContact O-CB 3.47Å; V390-K393 PolarHBondContact O-N 3.03Å; L391-K393 PolarHBondContact O-N 2.95Å
394L73.6Confident77.6Confident44 Ų4486.6 Ų86.623%0.2343%0.427CS..G310 helixtrans-95.412.8174.2-57.1-176.7000112.6Y142 L378 L391 E392 V396Y142-L394 HydrophobicContact CD2-CD2 3.87Å; Y142-L394 HydrophobicContact CE2-CD2 3.36Å; L378-L394 HydrophobicContact CD1-CD1 3.88Å; L378-L394 HydrophobicContact CD1-CG 4.38Å; L378-L394 HydrophobicContact CD2-CG 4.19Å; L378-L394 HydrophobicContact CG-CD1 4.48Å; L391-L394 HydrophobicContact CD2-CD1 4.05Å; L391-L394 WeakPolarHBondContact O-CA 3.43Å; L391-L394 WeakPolarHBondContact O-CB 3.49Å; L391-L394 PolarHBondContact O-N 2.89Å; E392-L394 PolarHBondContact O-N 3.33Å; L394-V396 VanDerWaalsContact C-N 3.3Å; L394-V396 HydrophobicContact CB-CG2 4.34Å; L394-V396 PolarHBondContact O-N 3.42Å
395G67.1Low76.6Confident68 Ų6883.1 Ų83.170%0.70141%0.413SS*.THydrogen-bonded Turntrans74.417.2-179.200000114.2E392E392-G395 PolarHBondContact O-N 2.85Å
396V62.6Low75.5Confident11 Ų1178 Ų787%0.06739%0.39CS..  trans-91.9119.6179-175.10000109.8T122 R125 L391 E392 L394 V398T122-V396 HydrophobicContact CG2-CG1 3.79Å; R125-V396 VanDerWaalsContact NH1-CG2 3.25Å; L391-V396 HydrophobicContact CB-CB 4.15Å; L391-V396 PolarHBondContact O-N 3.11Å; E392-V396 WeakPolarHBondContact CA-O 3.23Å; L394-V396 VanDerWaalsContact C-N 3.3Å; L394-V396 HydrophobicContact CB-CG2 4.34Å; L394-V396 PolarHBondContact O-N 3.42Å; V396-V398 PolarHBondContact O-N 3.38Å
397T58.9Low74.3Confident115 Ų11574.2 Ų74.271%0.70638%0.378SS*.  trans-76.7108.5171.9-480000109.8
398V55.8Low72.9Confident24 Ų2478.2 Ų78.215%0.14539%0.387CS..  trans-87128.3172.2-176.60000107.7V388 R389 L391 V396V388-V398 HydrophobicContact CG1-CG1 4.32Å; R389-V398 HydrophobicContact CG-CG1 4.48Å; L391-V398 HydrophobicContact CB-CG2 4.15Å; V396-V398 PolarHBondContact O-N 3.38Å
399R50.2Low71.5Confident293 Ų29381.9 Ų81.9100%1.10640%0.402SS*.  trans-102.70179.8-80.6-169.9-179.1-177.61.4112

Retrieved 399 of 399 residues in 3126.3 ms (Link to these results)

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