A0A087X5W1_POEFO 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 (A0A3P9MU75), UniProt , Accession A0A087X5W1, Species POEFO (Poecilia formosa, Amazon molly), 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 766 ms (Link to these results)

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