A0A096MWU5_PAPAN Loading...

small monomeric GTPase

AlphaFold DB (P61027), UniProt , Accession A0A096MWU5, Species PAPAN (Papio anubis, Olive baboon), Gene RAB10, Length 200 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low81.6Confident245 Ų245101.1 Ų101.1100%1.20752%0.522SS*.  01300-68.9178.6-172.400108.2K3M1-K3 PolarHBondContact O-N 3.09Å
2A58Low83Confident106 Ų10692.7 Ų92.788%0.87648%0.478SS*.PPolyproline II helixtrans-63.3122176.600000109.4K4A2-K4 PolarHBondContact O-N 2.99Å
3K64.7Low84Confident198 Ų19885.5 Ų85.586%0.86144%0.442SS*.PPolyproline II helixtrans-59.4123.9178.4-161.6174-176177.20107.9M1 T5M1-K3 PolarHBondContact O-N 3.09Å; K3-T5 PolarHBondContact O-N 3.22Å
4K71.3Confident84.9Confident168 Ų16879.4 Ų79.473%0.7341%0.41SS*.PPolyproline II helixtrans-54.7128.5174-80.3-175.6176.5177.80108.2A2 Y6A2-K4 PolarHBondContact O-N 2.99Å; K4-Y6 PolarHBondContact O-N 3.26Å
5T87.4Confident85.5Confident107 Ų10774.1 Ų74.166%0.65638%0.383SS*.SBendtrans-82.9-1.7-178.952.30000113.2K3K3-T5 PolarHBondContact O-N 3.22Å
6Y92.5Very high86.1Confident55 Ų5569.5 Ų69.522%0.21636%0.359CS..  trans-148.9154.9-177.567-88.6000110K4 L8 L9 K59K4-Y6 PolarHBondContact O-N 3.26Å; Y6-L8 WeakPolarHBondContact CD2-O 3.15Å; Y6-L9 HydrophobicContact CE2-CB 3.73Å; Y6-L9 HydrophobicContact CE2-CD1 4.43Å; Y6-K59 HydrophobicContact CD1-CB 4.3Å; Y6-K59 HydrophobicContact CD1-CD 4.07Å; Y6-K59 VanDerWaalsContact CD1-NZ 3.33Å; Y6-K59 HydrophobicContact CD2-CB 4.01Å; Y6-K59 HydrophobicContact CE1-CD 4.05Å; Y6-K59 VanDerWaalsContact CE1-NZ 3.34Å; Y6-K59 HydrophobicContact CE2-CB 4.5Å; Y6-K59 HydrophobicContact CG-CB 3.88Å; Y6-K59 HydrophobicContact CG-CD 4.5Å
7D94.3Very high86.6Confident97 Ų9766.9 Ų66.952%0.51935%0.346SS..SBendtrans-88.3-42.1-178.6-56.3-60.6000111.6K56 K57D7-K56 HydrophobicContact CB-CB 4.26Å; D7-K56 WeakPolarHBondContact OD2-CA 3.43Å; D7-K57 PolarHBondContact N-O 2.93Å; D7-K57 PolarHBondContact OD2-N 3Å
8L96.4Very high86.9Confident34 Ų3465.2 Ų65.218%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-132.1147.6-175.3-61.4173.2000112Y6 F10 K56 K57 I58 K59 L171 T174Y6-L8 WeakPolarHBondContact CD2-O 3.15Å; L8-F10 HydrophobicContact CB-CD1 4.46Å; L8-F10 HydrophobicContact CB-CE1 3.91Å; L8-F10 HydrophobicContact CB-CZ 4.33Å; L8-F10 HydrophobicContact CD1-CE1 4.12Å; L8-F10 HydrophobicContact CD1-CZ 3.95Å; L8-K56 HydrophobicContact CD1-CD 3.8Å; L8-K56 HydrophobicContact CG-CD 4.46Å; L8-K57 PolarHBondContact N-O 2.8Å; L8-I58 HydrophobicContact CB-CG1 4.27Å; L8-I58 HydrophobicContact CB-CG2 4.28Å; L8-I58 HydrophobicContact CD1-CD1 4.31Å; L8-I58 HydrophobicContact CD1-CG1 4.41Å; L8-I58 CarbonylContact O-C 3.57Å; L8-I58 WeakPolarHBondContact O-CA 2.81Å; L8-K59 PolarHBondContact O-N 3.23Å; L8-L171 HydrophobicContact CD1-CD1 3.32Å; L8-T174 HydrophobicContact CD2-CG2 4.21Å
9L95.9Very high87.2Confident61 Ų6163.2 Ų63.232%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-118.4116.6175.3-176.968.6000108.5Y6 K59 Q61Y6-L9 HydrophobicContact CE2-CB 3.73Å; Y6-L9 HydrophobicContact CE2-CD1 4.43Å; L9-K59 WeakPolarHBondContact CA-O 3.09Å; L9-K59 HydrophobicContact CD1-CB 3.83Å; L9-K59 HydrophobicContact CD1-CD 3.83Å; L9-K59 HydrophobicContact CD1-CG 3.79Å; L9-Q61 HydrophobicContact CD1-CG 3.71Å; L9-Q61 HydrophobicContact CG-CG 4.44Å
10F97.5Very high87.6Confident1 Ų160 Ų600%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-110131.1176.1-63.5-14.5000111L8 I58 K59 L60 Q61 M83 A167 I170 L171L8-F10 HydrophobicContact CB-CD1 4.46Å; L8-F10 HydrophobicContact CB-CE1 3.91Å; L8-F10 HydrophobicContact CB-CZ 4.33Å; L8-F10 HydrophobicContact CD1-CE1 4.12Å; L8-F10 HydrophobicContact CD1-CZ 3.95Å; F10-I58 HydrophobicContact CB-CG2 4.38Å; F10-I58 HydrophobicContact CD1-CG2 4.25Å; F10-I58 HydrophobicContact CD2-CG2 3.42Å; F10-I58 VanDerWaalsContact CD2-CG2 3.42Å; F10-I58 HydrophobicContact CE1-CG2 4.41Å; F10-I58 HydrophobicContact CE2-CD1 3.73Å; F10-I58 HydrophobicContact CE2-CG2 3.61Å; F10-I58 HydrophobicContact CG-CG2 3.75Å; F10-I58 HydrophobicContact CZ-CD1 4.03Å; F10-I58 HydrophobicContact CZ-CG2 4.11Å; F10-K59 PolarHBondContact N-O 2.7Å; F10-L60 HydrophobicContact CB-CD2 3.87Å; F10-L60 HydrophobicContact CD2-CD2 3.98Å; F10-L60 HydrophobicContact CG-CD2 4.35Å; F10-Q61 PolarHBondContact O-N 2.9Å; F10-M83 HydrophobicContact CB-SD 4.32Å; F10-M83 HydrophobicContact CD1-CE 3.45Å; F10-M83 VanDerWaalsContact CD1-CE 3.45Å; F10-M83 HydrophobicContact CD1-SD 3.83Å; F10-M83 HydrophobicContact CE1-CE 3.75Å; F10-M83 HydrophobicContact CG-CE 4.35Å; F10-M83 HydrophobicContact CG-SD 4.42Å; F10-A167 HydrophobicContact CD2-CB 4.31Å; F10-A167 WeakPolarHBondContact CE2-O 3.44Å; F10-I170 HydrophobicContact CD1-CG2 3.9Å; F10-I170 HydrophobicContact CD2-CB 4.14Å; F10-I170 HydrophobicContact CD2-CD1 4.4Å; F10-I170 HydrophobicContact CD2-CG2 3.81Å; F10-I170 HydrophobicContact CE1-CG2 3.84Å; F10-I170 HydrophobicContact CE2-CB 4Å; F10-I170 HydrophobicContact CE2-CG2 3.74Å; F10-I170 HydrophobicContact CG-CG2 3.91Å; F10-I170 HydrophobicContact CZ-CB 4.4Å; F10-I170 HydrophobicContact CZ-CG2 3.77Å; F10-L171 HydrophobicContact CE2-CB 4.14Å; F10-L171 HydrophobicContact CZ-CB 4.05Å; F10-L171 HydrophobicContact CZ-CD1 4.21Å
11K96.2Very high88Confident40 Ų4057.6 Ų57.617%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-95.2115.3173.2-178.1177.9168-167.40109.6Y78 R80 M83 G84K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 3.23Å; K11-R80 PolarHBondContact NZ-O 2.88Å; K11-M83 PolarHBondContact O-N 3.35Å; K11-G84 PolarHBondContact O-N 3.25Å
12L97.6Very high90.5Very high0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-109.7143176.2-53.7-173.6000110.6L60 Q61 I62 W63 G84 F163 L166 I170L12-L60 HydrophobicContact CD1-CB 4.47Å; L12-L60 HydrophobicContact CD1-CD1 4.27Å; L12-L60 HydrophobicContact CD1-CD2 4.29Å; L12-Q61 PolarHBondContact N-O 3.09Å; L12-I62 HydrophobicContact CB-CG1 4.3Å; L12-I62 HydrophobicContact CB-CG2 4.37Å; L12-I62 HydrophobicContact CD1-CG1 4.28Å; L12-I62 WeakPolarHBondContact O-CA 3.26Å; L12-W63 PolarHBondContact O-N 2.92Å; L12-G84 CarbonylContact C-O 3.57Å; L12-G84 VanDerWaalsContact CA-O 3.27Å; L12-G84 WeakPolarHBondContact CA-O 3.28Å; L12-F163 HydrophobicContact CD1-CD1 4Å; L12-F163 HydrophobicContact CD1-CE1 4.45Å; L12-L166 HydrophobicContact CD1-CD2 4.47Å; L12-L166 HydrophobicContact CD2-CD2 4.04Å; L12-L166 HydrophobicContact CD2-CG 4.37Å; L12-I170 HydrophobicContact CD2-CD1 3.42Å; L12-I170 VanDerWaalsContact CD2-CD1 3.42Å
13L96.1Very high92.2Very high0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-123.1131.2177.3-169.667.2000110.3I15 W63 T65 Y79 A82 G84 I85 M86L13-I15 HydrophobicContact CD2-CG2 3.68Å; L13-I15 HydrophobicContact CG-CG2 3.76Å; L13-W63 HydrophobicContact CD1-CB 3.63Å; L13-T65 HydrophobicContact CD1-CG2 3.45Å; L13-T65 VanDerWaalsContact CD1-CG2 3.45Å; L13-T65 HydrophobicContact CG-CG2 4.2Å; L13-Y79 HydrophobicContact CD2-CD1 4.21Å; L13-Y79 HydrophobicContact CD2-CD2 4.48Å; L13-Y79 HydrophobicContact CD2-CE1 4.38Å; L13-Y79 HydrophobicContact CD2-CG 4.28Å; L13-A82 HydrophobicContact CB-CB 4.41Å; L13-G84 PolarHBondContact N-O 3.19Å; L13-I85 HydrophobicContact CB-CG1 4.18Å; L13-I85 WeakPolarHBondContact O-CA 3.42Å; L13-M86 PolarHBondContact O-N 2.84Å
14L96.4Very high93.6Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-97.6122.8169.3-56.4-178.5000109.2K22 L26 I62 W63 T65 M86 F163L14-K22 HydrophobicContact CB-CB 4.23Å; L14-K22 HydrophobicContact CB-CD 4.42Å; L14-K22 HydrophobicContact CD1-CB 4.46Å; L14-K22 WeakPolarHBondContact CD1-O 3.39Å; L14-L26 HydrophobicContact CD1-CB 3.83Å; L14-I62 HydrophobicContact CD1-CG2 4.25Å; L14-I62 HydrophobicContact CG-CG2 4.07Å; L14-W63 PolarHBondContact N-O 3.23Å; L14-T65 PolarHBondContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 3Å; L14-M86 HydrophobicContact CD2-CB 3.62Å; L14-M86 HydrophobicContact CD2-CG 3.97Å; L14-M86 HydrophobicContact CD2-SD 3.63Å; L14-F163 HydrophobicContact CD2-CE1 4.3Å; L14-F163 HydrophobicContact CD2-CZ 4.13Å
15I94.7Very high94.9Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-129.9166177.365165.5000111.5L13 K22 T75 Y79 I85 M86 L87 V88 W103 I107L13-I15 HydrophobicContact CD2-CG2 3.68Å; L13-I15 HydrophobicContact CG-CG2 3.76Å; I15-K22 VanDerWaalsContact C-CD 3.4Å; I15-K22 WeakPolarHBondContact O-CD 3.33Å; I15-T75 HydrophobicContact CG2-CG2 4.19Å; I15-Y79 HydrophobicContact CD1-CE1 4.13Å; I15-I85 HydrophobicContact CD1-CG2 3.73Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; I15-I85 HydrophobicContact CG2-CG2 4.48Å; I15-M86 PolarHBondContact N-O 3.32Å; I15-L87 HydrophobicContact CD1-CD1 4.01Å; I15-L87 HydrophobicContact CG1-CB 4.22Å; I15-L87 HydrophobicContact CG1-CD1 3.8Å; I15-V88 PolarHBondContact O-N 3.46Å; I15-W103 HydrophobicContact CB-CE3 4.11Å; I15-W103 HydrophobicContact CB-CZ3 4.27Å; I15-W103 HydrophobicContact CD1-CB 4.23Å; I15-W103 HydrophobicContact CD1-CE3 4.07Å; I15-W103 HydrophobicContact CG1-CE3 4.49Å; I15-I107 HydrophobicContact CD1-CD1 3.72Å; I15-I107 HydrophobicContact CD1-CG1 3.72Å
16G94.9Very high95.3Very high0 Ų022.3 Ų22.30%013%0.128CC..SBendtrans133.9170.4-175.500000111.6K22 G67 W103G16-K22 PolarHBondContact O-NZ 2.78Å; G16-G67 WeakPolarHBondContact O-CA 3.14Å; G16-W103 WeakPolarHBondContact O-CZ2 3.31Å
17D94.1Very high95.4Very high26 Ų2622.8 Ų22.814%0.13913%0.131CC..  trans-56.7160.1-176.8-78.616.4000113.1V20 K22 S96 N99 W103D17-V20 HydrophobicContact CB-CG1 3.8Å; D17-V20 VanDerWaalsContact O-CG2 3.25Å; D17-V20 WeakPolarHBondContact O-CG2 3.4Å; D17-K22 PolarHBondContact O-NZ 3.39Å; D17-S96 WeakPolarHBondContact OD2-CA 3.43Å; D17-N99 WeakPolarHBondContact OD1-CB 3.27Å; D17-N99 PolarHBondContact OD1-ND2 3.03Å; D17-N99 PolarHBondContact OD2-ND2 3.02Å; D17-W103 PolarHBondContact OD1-NE1 3.07Å
18S92Very high95.5Very high36 Ų3620 Ų2025%0.25211%0.113SC..THydrogen-bonded Turntrans-59.8144.6169-169.70000110.7V20 G67 Q68S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.78Å; S18-G67 PolarHBondContact N-O 2.91Å; S18-Q68 VanDerWaalsContact CB-OE1 3.26Å
19G92.7Very high95.6Very high26 Ų2618.6 Ų18.627%0.26811%0.106SC..THydrogen-bonded Turntrans79.1-4.917500000116.8G21 K123G19-G21 PolarHBondContact O-N 2.74Å; G19-K123 PolarHBondContact O-NZ 3.18Å
20V95.9Very high95.5Very high0 Ų016.8 Ų16.80%010%0.098CC..SBendtrans-70.9-15.9179.1-55.80000113.7D17 S18 K22 V88 D90 N122D17-V20 HydrophobicContact CB-CG1 3.8Å; D17-V20 VanDerWaalsContact O-CG2 3.25Å; D17-V20 WeakPolarHBondContact O-CG2 3.4Å; S18-V20 VanDerWaalsContact C-N 3.27Å; S18-V20 PolarHBondContact O-N 2.78Å; V20-K22 HydrophobicContact CG2-CD 4.3Å; V20-K22 HydrophobicContact CG2-CG 3.61Å; V20-V88 HydrophobicContact CB-CG1 4.33Å; V20-V88 HydrophobicContact CG2-CB 3.9Å; V20-V88 HydrophobicContact CG2-CG1 3.87Å; V20-D90 HydrophobicContact CB-CB 4.2Å; V20-D90 HydrophobicContact CG1-CB 4.21Å; V20-N122 PolarHBondContact O-ND2 3.31Å
21G95.8Very high95.4Very high10 Ų1020.5 Ų20.510%0.10312%0.118CC..  trans10122.3174.800000115.6G19 T23 C24 V25G19-G21 PolarHBondContact O-N 2.74Å; G21-T23 VanDerWaalsContact C-N 3.34Å; G21-T23 PolarHBondContact O-N 3.28Å; G21-C24 WeakPolarHBondContact O-CB 3.38Å; G21-C24 PolarHBondContact O-N 2.78Å; G21-C24 VanDerWaalsContact O-N 3.11Å; G21-V25 WeakPolarHBondContact O-CG2 3.35Å; G21-V25 PolarHBondContact O-N 2.9Å
22K95.4Very high95.3Very high10 Ų1023.8 Ų23.84%0.04314%0.138CC..Hα-helixtrans-51-50.5176.4-56.3-174-62-76.60112.6L14 I15 G16 D17 V20 C24 V25 L26 D64 T65 V88L14-K22 HydrophobicContact CB-CB 4.23Å; L14-K22 HydrophobicContact CB-CD 4.42Å; L14-K22 HydrophobicContact CD1-CB 4.46Å; L14-K22 WeakPolarHBondContact CD1-O 3.39Å; I15-K22 VanDerWaalsContact C-CD 3.4Å; I15-K22 WeakPolarHBondContact O-CD 3.33Å; G16-K22 PolarHBondContact O-NZ 2.78Å; D17-K22 PolarHBondContact O-NZ 3.39Å; V20-K22 HydrophobicContact CG2-CD 4.3Å; V20-K22 HydrophobicContact CG2-CG 3.61Å; K22-C24 PolarHBondContact O-N 3.05Å; K22-V25 WeakPolarHBondContact O-CB 3.33Å; K22-V25 PolarHBondContact O-N 2.73Å; K22-L26 PolarHBondContact O-N 2.82Å; K22-D64 WeakPolarHBondContact CB-OD1 2.85Å; K22-T65 WeakPolarHBondContact CE-O 3.2Å; K22-V88 HydrophobicContact CG-CB 4.1Å; K22-V88 HydrophobicContact CG-CG2 4.13Å
23T94Very high95.1Very high35 Ų3525.7 Ų25.722%0.21515%0.153CC..Hα-helixtrans-58.9-47175.7-43.50000111.4G21 V25 L26 F27 T41 D64G21-T23 VanDerWaalsContact C-N 3.34Å; G21-T23 PolarHBondContact O-N 3.28Å; T23-V25 VanDerWaalsContact C-N 3.32Å; T23-V25 PolarHBondContact O-N 2.79Å; T23-L26 WeakPolarHBondContact O-CB 3.18Å; T23-L26 PolarHBondContact O-N 2.87Å; T23-L26 VanDerWaalsContact O-N 3.15Å; T23-F27 HydrophobicContact CG2-CD2 3.68Å; T23-F27 HydrophobicContact CG2-CE2 3.67Å; T23-F27 VanDerWaalsContact O-CD2 3.32Å; T23-F27 WeakPolarHBondContact O-CD2 3.48Å; T23-F27 PolarHBondContact O-N 3.1Å; T23-T41 PolarHBondContact OG1-OG1 3.1Å; T23-D64 VanDerWaalsContact CA-OD2 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.06Å; T23-D64 VanDerWaalsContact CB-OD2 3.27Å; T23-D64 WeakPolarHBondContact CB-OD2 3.2Å; T23-D64 PolarHBondContact OG1-OD2 3.03Å
24C95.5Very high94.9Very high37 Ų3729 Ų2925%0.2517%0.168CC..Hα-helixtrans-60.9-40.2177-57.60000112.4G21 K22 R28 F34 A153G21-C24 WeakPolarHBondContact O-CB 3.38Å; G21-C24 PolarHBondContact O-N 2.78Å; G21-C24 VanDerWaalsContact O-N 3.11Å; K22-C24 PolarHBondContact O-N 3.05Å; C24-R28 VanDerWaalsContact O-CB 3.27Å; C24-R28 WeakPolarHBondContact O-CB 3.06Å; C24-R28 PolarHBondContact O-N 2.78Å; C24-F34 HydrophobicContact CB-CD2 4.15Å; C24-F34 HydrophobicContact CB-CE2 3.92Å; C24-A153 HydrophobicContact CB-CB 3.67Å
25V97.3Very high94.3Very high1 Ų134 Ų341%0.00619%0.194CC..Hα-helixtrans-62.4-44.2175167.60000110.4G21 K22 T23 F29 L120 A153 I159 F163G21-V25 WeakPolarHBondContact O-CG2 3.35Å; G21-V25 PolarHBondContact O-N 2.9Å; K22-V25 WeakPolarHBondContact O-CB 3.33Å; K22-V25 PolarHBondContact O-N 2.73Å; T23-V25 VanDerWaalsContact C-N 3.32Å; T23-V25 PolarHBondContact O-N 2.79Å; V25-F29 WeakPolarHBondContact O-CB 3.26Å; V25-F29 PolarHBondContact O-N 3.44Å; V25-L120 HydrophobicContact CG1-CD1 4.43Å; V25-A153 HydrophobicContact CG2-CB 4.09Å; V25-I159 HydrophobicContact CB-CD1 4.42Å; V25-I159 HydrophobicContact CG1-CD1 4.16Å; V25-I159 HydrophobicContact CG2-CD1 4Å; V25-F163 HydrophobicContact CG1-CE2 3.68Å; V25-F163 HydrophobicContact CG1-CZ 4.05Å
26L96Very high93.6Very high0 Ų039.9 Ų39.90%023%0.231CC..Hα-helixtrans-61.8-50.5176.1179.354.5000112.3L14 K22 T23 F29 S30 K47 I62 D64L14-L26 HydrophobicContact CD1-CB 3.83Å; K22-L26 PolarHBondContact O-N 2.82Å; T23-L26 WeakPolarHBondContact O-CB 3.18Å; T23-L26 PolarHBondContact O-N 2.87Å; T23-L26 VanDerWaalsContact O-N 3.15Å; L26-F29 PolarHBondContact O-N 2.9Å; L26-S30 WeakPolarHBondContact O-CB 3.45Å; L26-S30 PolarHBondContact O-N 2.85Å; L26-S30 PolarHBondContact O-OG 3.01Å; L26-K47 HydrophobicContact CD1-CB 3.98Å; L26-K47 HydrophobicContact CD1-CG 4.36Å; L26-K47 HydrophobicContact CD2-CB 4.1Å; L26-K47 HydrophobicContact CD2-CG 3.94Å; L26-K47 HydrophobicContact CG-CB 4.25Å; L26-K47 HydrophobicContact CG-CG 4.11Å; L26-I62 HydrophobicContact CD1-CB 3.74Å; L26-I62 HydrophobicContact CD1-CD1 3.87Å; L26-I62 HydrophobicContact CD1-CG1 4.42Å; L26-I62 HydrophobicContact CD1-CG2 3.59Å; L26-D64 HydrophobicContact CD2-CB 3.66Å
27F94.6Very high92.9Very high64 Ų6444 Ų4428%0.28126%0.256SS..Hα-helixtrans-65-39.4-179.2-87.8-84.7000112T23 F29 S30 D31 D32 A33T23-F27 HydrophobicContact CG2-CD2 3.68Å; T23-F27 HydrophobicContact CG2-CE2 3.67Å; T23-F27 VanDerWaalsContact O-CD2 3.32Å; T23-F27 WeakPolarHBondContact O-CD2 3.48Å; T23-F27 PolarHBondContact O-N 3.1Å; F27-F29 VanDerWaalsContact C-N 3.32Å; F27-F29 PolarHBondContact O-N 2.85Å; F27-S30 PolarHBondContact O-N 3.01Å; F27-D31 VanDerWaalsContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CE1-OD2 3.45Å; F27-D31 PolarHBondContact O-N 3.28Å; F27-D32 PolarHBondContact O-N 3.19Å; F27-A33 CarbonylContact C-O 3.51Å; F27-A33 PolarHBondContact O-N 3.25Å
28R96.9Very high91.7Very high38 Ų3849.2 Ų49.214%0.14328%0.278CS..Hα-helixtrans-61.7-42.7174.1176.655.472.4-168.40.8111.2C24 D32 A33 A153 N156 I159C24-R28 VanDerWaalsContact O-CB 3.27Å; C24-R28 WeakPolarHBondContact O-CB 3.06Å; C24-R28 PolarHBondContact O-N 2.78Å; R28-D32 IonicContact CZ-OD1 2.94Å; R28-D32 VanDerWaalsContact NH1-C 3.28Å; R28-D32 PolarHBondContact NH1-O 3.12Å; R28-D32 IonicContact NH1-OD1 2.85Å; R28-D32 PolarHBondContact NH1-OD1 3.1Å; R28-D32 VanDerWaalsContact O-CA 3.3Å; R28-D32 WeakPolarHBondContact O-CA 3.45Å; R28-D32 PolarHBondContact O-N 2.95Å; R28-A33 WeakPolarHBondContact CA-O 3.37Å; R28-A33 PolarHBondContact N-O 2.82Å; R28-A153 HydrophobicContact CB-CB 4.35Å; R28-A153 PolarHBondContact NE-O 2.84Å; R28-N156 WeakPolarHBondContact CD-OD1 3.46Å; R28-N156 HydrophobicContact CG-CB 4.45Å; R28-N156 WeakPolarHBondContact CG-OD1 3.44Å; R28-I159 HydrophobicContact CB-CG2 4.25Å; R28-I159 HydrophobicContact CG-CB 4.15Å; R28-I159 HydrophobicContact CG-CG1 3.87Å; R28-I159 HydrophobicContact CG-CG2 3.92Å
29F97.8Very high91Very high6 Ų653.6 Ų53.63%0.02630%0.297CS..Hα-helixtrans-70.2-45.7178177.8-115.5000112.9V25 L26 F27 K49 V51 L60 I62 I159 E160 F163V25-F29 WeakPolarHBondContact O-CB 3.26Å; V25-F29 PolarHBondContact O-N 3.44Å; L26-F29 PolarHBondContact O-N 2.9Å; F27-F29 VanDerWaalsContact C-N 3.32Å; F27-F29 PolarHBondContact O-N 2.85Å; F29-K49 HydrophobicContact CD1-CD 4.06Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.66Å; F29-K49 HydrophobicContact CE1-CG 4.22Å; F29-K49 HydrophobicContact CE2-CD 4.26Å; F29-K49 HydrophobicContact CZ-CD 3.77Å; F29-K49 HydrophobicContact CZ-CG 4.41Å; F29-K49 WeakPolarHBondContact O-CD 3.28Å; F29-K49 PolarHBondContact O-NZ 3.42Å; F29-V51 HydrophobicContact CZ-CG1 4.05Å; F29-L60 HydrophobicContact CE1-CD1 3.99Å; F29-L60 HydrophobicContact CZ-CD1 4Å; F29-I62 HydrophobicContact CD1-CD1 3.63Å; F29-I62 HydrophobicContact CE1-CD1 3.63Å; F29-I159 HydrophobicContact CB-CG2 3.73Å; F29-E160 HydrophobicContact CE2-CG 4.39Å; F29-F163 HydrophobicContact CB-CD2 3.64Å; F29-F163 HydrophobicContact CB-CE2 3.49Å; F29-F163 VanDerWaalsContact CB-CE2 3.49Å; F29-F163 HydrophobicContact CB-CG 4.45Å; F29-F163 HydrophobicContact CB-CZ 4.21Å; F29-F163 HydrophobicContact CD1-CB 4.28Å; F29-F163 AromaticContact CD1-CD1 3.89Å; F29-F163 HydrophobicContact CD1-CD1 3.89Å; F29-F163 AromaticContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CE1 4.13Å; F29-F163 HydrophobicContact CD1-CE2 4.01Å; F29-F163 AromaticContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CZ 4.18Å; F29-F163 HydrophobicContact CD2-CB 3.93Å; F29-F163 AromaticContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CE2 4.38Å; F29-F163 AromaticContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CE1-CB 3.97Å; F29-F163 AromaticContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD2 4.32Å; F29-F163 AromaticContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE2-CB 3.59Å; F29-F163 HydrophobicContact CE2-CD2 4.21Å; F29-F163 HydrophobicContact CE2-CG 4.02Å; F29-F163 HydrophobicContact CG-CB 4.25Å; F29-F163 HydrophobicContact CG-CD1 4.36Å; F29-F163 AromaticContact CG-CD2 3.37Å; F29-F163 HydrophobicContact CG-CD2 3.37Å; F29-F163 AromaticContact CG-CE2 3.7Å; F29-F163 HydrophobicContact CG-CE2 3.7Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.33Å; F29-F163 HydrophobicContact CZ-CB 3.61Å; F29-F163 HydrophobicContact CZ-CD1 4.46Å; F29-F163 AromaticContact CZ-CG 3.97Å; F29-F163 HydrophobicContact CZ-CG 3.97Å
30S95Very high90.4Very high23 Ų2354.7 Ų54.716%0.16130%0.301CS..Hα-helixtrans-80.2-40.8-170.353.30000113.6L26 F27L26-S30 WeakPolarHBondContact O-CB 3.45Å; L26-S30 PolarHBondContact O-N 2.85Å; L26-S30 PolarHBondContact O-OG 3.01Å; F27-S30 PolarHBondContact O-N 3.01Å
31D93.7Very high89.3Confident78 Ų7856.1 Ų56.142%0.41731%0.31SS..Hα-helixtrans-121.32.6-169.2-56.5-24.2000112.9F27 A33 K47F27-D31 VanDerWaalsContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CD1-OD2 3.24Å; F27-D31 WeakPolarHBondContact CE1-OD2 3.45Å; F27-D31 PolarHBondContact O-N 3.28Å; D31-A33 HydrophobicContact CB-CB 4.14Å; D31-A33 PolarHBondContact O-N 3.13Å; D31-K47 IonicContact OD1-NZ 3.98Å; D31-K47 PolarHBondContact OD1-NZ 3.26Å; D31-K47 WeakPolarHBondContact OD2-CE 3.34Å; D31-K47 IonicContact OD2-NZ 2.67Å; D31-K47 PolarHBondContact OD2-NZ 2.85Å
32D94.9Very high88.1Confident110 Ų11062.5 Ų62.559%0.58834%0.34SS*.SBendtrans49.237.7-170.1-164.827.5000113.5F27 R28F27-D32 PolarHBondContact O-N 3.19Å; R28-D32 IonicContact CZ-OD1 2.94Å; R28-D32 VanDerWaalsContact NH1-C 3.28Å; R28-D32 PolarHBondContact NH1-O 3.12Å; R28-D32 IonicContact NH1-OD1 2.85Å; R28-D32 PolarHBondContact NH1-OD1 3.1Å; R28-D32 VanDerWaalsContact O-CA 3.3Å; R28-D32 WeakPolarHBondContact O-CA 3.45Å; R28-D32 PolarHBondContact O-N 2.95Å
33A93.3Very high86.9Confident40 Ų4062.7 Ų62.733%0.33134%0.344SS..  trans-118.8147.9-175.100000112.1F27 R28 D31F27-A33 CarbonylContact C-O 3.51Å; F27-A33 PolarHBondContact O-N 3.25Å; R28-A33 WeakPolarHBondContact CA-O 3.37Å; R28-A33 PolarHBondContact N-O 2.82Å; D31-A33 HydrophobicContact CB-CB 4.14Å; D31-A33 PolarHBondContact O-N 3.13Å
34F91Very high86.2Confident70 Ų7062.9 Ų62.931%0.30734%0.344SS..  trans-139119.7169.7-178.6-92.3000109.7C24 T36 A153 K154C24-F34 HydrophobicContact CB-CD2 4.15Å; C24-F34 HydrophobicContact CB-CE2 3.92Å; F34-T36 HydrophobicContact CD1-CG2 4.49Å; F34-T36 HydrophobicContact CE1-CG2 4.11Å; F34-A153 HydrophobicContact CD2-CB 4.05Å; F34-A153 HydrophobicContact CE2-CB 4.1Å; F34-K154 HydrophobicContact CD1-CB 4.37Å; F34-K154 HydrophobicContact CD1-CG 4.19Å; F34-K154 HydrophobicContact CD2-CB 4.23Å; F34-K154 HydrophobicContact CE1-CB 3.97Å; F34-K154 HydrophobicContact CE1-CD 4.23Å; F34-K154 HydrophobicContact CE1-CG 3.81Å; F34-K154 HydrophobicContact CE2-CB 3.81Å; F34-K154 HydrophobicContact CG-CB 4.49Å; F34-K154 HydrophobicContact CZ-CB 3.67Å; F34-K154 HydrophobicContact CZ-CD 4.36Å; F34-K154 HydrophobicContact CZ-CG 4.01Å
35N85.3Confident85.6Confident103 Ų10364 Ų6455%0.55135%0.347SS*.  trans-99.6132.1173.9-166.9-19.9000109.5T37N35-T37 VanDerWaalsContact C-N 3.28Å; N35-T37 VanDerWaalsContact OD1-CB 3.28Å; N35-T37 WeakPolarHBondContact OD1-CB 3.5Å; N35-T37 PolarHBondContact OD1-N 3.45Å; N35-T37 PolarHBondContact OD1-OG1 3.36Å
36T79.3Confident85.1Confident124 Ų12467.2 Ų67.276%0.76136%0.361SS*.  trans-76.2-17.5175.4510000112.8F34 F38F34-T36 HydrophobicContact CD1-CG2 4.49Å; F34-T36 HydrophobicContact CE1-CG2 4.11Å; T36-F38 PolarHBondContact O-N 2.95Å
37T79.5Confident85Confident88 Ų8869.6 Ų69.654%0.5437%0.372SS..SBendtrans-73.7115178-49.30000109.6N35 I39N35-T37 VanDerWaalsContact C-N 3.28Å; N35-T37 VanDerWaalsContact OD1-CB 3.28Å; N35-T37 WeakPolarHBondContact OD1-CB 3.5Å; N35-T37 PolarHBondContact OD1-N 3.45Å; N35-T37 PolarHBondContact OD1-OG1 3.36Å; T37-I39 HydrophobicContact CG2-CG1 4.13Å; T37-I39 PolarHBondContact O-N 3.26Å
38F70.7Confident85Confident134 Ų13470.5 Ų70.559%0.58838%0.378SS*.  trans-81.8105.8176.1-175.6-103.5000110.5T36T36-F38 PolarHBondContact O-N 2.95Å
39I77.1Confident84.9Confident128 Ų12871.4 Ų71.466%0.65638%0.383SS*.  trans-109.6126.3168.4-55.6177.3000107.1T37 T41T37-I39 HydrophobicContact CG2-CG1 4.13Å; T37-I39 PolarHBondContact O-N 3.26Å; I39-T41 PolarHBondContact O-N 3.23Å
40S78.9Confident84.9Confident50 Ų5074.5 Ų74.535%0.3540%0.403SS..PPolyproline II helixtrans-68.9124173.6-670000109.4I42S40-I42 PolarHBondContact O-N 3.32Å
41T73.9Confident85Confident30 Ų3074.1 Ų74.118%0.18440%0.4CS..PPolyproline II helixtrans-58.7124.3173.2-47.90000109.7T23 I39 D45 A66T23-T41 PolarHBondContact OG1-OG1 3.1Å; I39-T41 PolarHBondContact O-N 3.23Å; T41-D45 HydrophobicContact CG2-CB 4.44Å; T41-A66 VanDerWaalsContact O-CB 3.26Å; T41-A66 WeakPolarHBondContact O-CB 3.34Å
42I69.2Low85.1Confident144 Ų14476.8 Ų76.874%0.73841%0.409SS*.PPolyproline II helixtrans-96.8119173.8-59.5177.3000106.8S40 I44 F71S40-I42 PolarHBondContact O-N 3.32Å; I42-I44 PolarHBondContact O-N 3.01Å; I42-F71 HydrophobicContact CG2-CZ 3.95Å
43G71Confident85.1Confident13 Ų1372.8 Ų72.813%0.13439%0.388CS..SBendtrans72.9-122.3-17800000112.9A66G43-A66 WeakPolarHBondContact O-CB 3.44Å; G43-A66 PolarHBondContact O-N 3.08Å
44I78.3Confident85.1Confident40 Ų4077 Ų7721%0.20540%0.401CS..EExtended strand (participates in β ladder)trans-138.3132-173.1-67.2176.2000109.5I42 W63 D64 T65 I74 Y78I42-I44 PolarHBondContact O-N 3.01Å; I44-W63 HydrophobicContact CG2-CE3 3.71Å; I44-W63 HydrophobicContact CG2-CZ3 4.4Å; I44-D64 CarbonylContact C-O 3.45Å; I44-D64 VanDerWaalsContact CA-O 3.27Å; I44-D64 WeakPolarHBondContact CA-O 3.37Å; I44-D64 WeakPolarHBondContact CG2-O 3.32Å; I44-T65 HydrophobicContact CD1-CG2 4.36Å; I44-T65 HydrophobicContact CG1-CG2 4.34Å; I44-I74 HydrophobicContact CD1-CG2 3.47Å; I44-I74 VanDerWaalsContact CD1-CG2 3.47Å; I44-I74 HydrophobicContact CG1-CG2 4.18Å; I44-Y78 HydrophobicContact CD1-CD1 4.18Å; I44-Y78 HydrophobicContact CD1-CD2 3.22Å; I44-Y78 HydrophobicContact CD1-CE1 3.97Å; I44-Y78 HydrophobicContact CD1-CE2 2.99Å; I44-Y78 HydrophobicContact CD1-CG 3.83Å; I44-Y78 HydrophobicContact CG1-CE2 4.41Å; I44-Y78 HydrophobicContact CG2-CE1 4.23Å
45D84.2Confident85.2Confident60 Ų6076.6 Ų76.632%0.32142%0.416SS..EExtended strand (participates in β ladder)trans-103.6156171.5-160-1.2000110T41 D64T41-D45 HydrophobicContact CG2-CB 4.44Å; D45-D64 HydrophobicContact CB-CB 4.26Å; D45-D64 PolarHBondContact N-O 3.17Å; D45-D64 PolarHBondContact O-N 3Å
46F87.4Confident85.7Confident69 Ų6974 Ų7430%0.30340%0.4SS..EExtended strand (participates in β ladder)trans-141.7127.8-171.5172.9-103.8000111.6I48 Q61 W63F46-I48 HydrophobicContact CE1-CD1 3.67Å; F46-I48 HydrophobicContact CE1-CG1 3.5Å; F46-I48 HydrophobicContact CE2-CG1 4.3Å; F46-I48 HydrophobicContact CZ-CD1 3.65Å; F46-I48 HydrophobicContact CZ-CG1 3.37Å; F46-Q61 HydrophobicContact CE2-CB 3.78Å; F46-Q61 HydrophobicContact CE2-CG 3.87Å; F46-Q61 HydrophobicContact CZ-CB 4.28Å; F46-Q61 HydrophobicContact CZ-CG 3.86Å; F46-W63 HydrophobicContact CB-CE3 3.98Å; F46-W63 HydrophobicContact CB-CZ3 4Å; F46-W63 AromaticContact CD2-CD2 3.54Å; F46-W63 HydrophobicContact CD2-CD2 3.54Å; F46-W63 AromaticContact CD2-CE2 3.5Å; F46-W63 VanDerWaalsContact CD2-CE2 3.5Å; F46-W63 AromaticContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CG 4.16Å; F46-W63 AromaticContact CD2-CH2 3.87Å; F46-W63 HydrophobicContact CD2-CH2 3.87Å; F46-W63 AromaticContact CD2-CZ2 3.7Å; F46-W63 HydrophobicContact CD2-CZ2 3.7Å; F46-W63 AromaticContact CD2-CZ3 3.83Å; F46-W63 HydrophobicContact CD2-CZ3 3.83Å; F46-W63 AromaticContact CD2-NE1 3.97Å; F46-W63 HydrophobicContact CE2-CD2 4.15Å; F46-W63 AromaticContact CE2-CE2 3.61Å; F46-W63 HydrophobicContact CE2-CH2 4.19Å; F46-W63 AromaticContact CE2-CZ2 3.67Å; F46-W63 HydrophobicContact CE2-CZ2 3.67Å; F46-W63 AromaticContact CE2-NE1 3.82Å; F46-W63 HydrophobicContact CG-CD2 4.47Å; F46-W63 HydrophobicContact CG-CE3 4.18Å; F46-W63 HydrophobicContact CG-CH2 4.29Å; F46-W63 HydrophobicContact CG-CZ3 4.08Å
47K92.8Very high86.5Confident50 Ų5073.1 Ų73.122%0.21739%0.386CS..EExtended strand (participates in β ladder)trans-129.3149.5174.9-75.9-78.3-167.3160.10111L26 D31 I62L26-K47 HydrophobicContact CD1-CB 3.98Å; L26-K47 HydrophobicContact CD1-CG 4.36Å; L26-K47 HydrophobicContact CD2-CB 4.1Å; L26-K47 HydrophobicContact CD2-CG 3.94Å; L26-K47 HydrophobicContact CG-CB 4.25Å; L26-K47 HydrophobicContact CG-CG 4.11Å; D31-K47 IonicContact OD1-NZ 3.98Å; D31-K47 PolarHBondContact OD1-NZ 3.26Å; D31-K47 WeakPolarHBondContact OD2-CE 3.34Å; D31-K47 IonicContact OD2-NZ 2.67Å; D31-K47 PolarHBondContact OD2-NZ 2.85Å; K47-I62 PolarHBondContact N-O 3.34Å; K47-I62 PolarHBondContact O-N 2.89Å
48I94.2Very high87.4Confident83 Ų8368.9 Ų68.943%0.42636%0.36SS..EExtended strand (participates in β ladder)trans-116.1125.7171.4-61.2179.3000108.6F46 K59 L60 Q61F46-I48 HydrophobicContact CE1-CD1 3.67Å; F46-I48 HydrophobicContact CE1-CG1 3.5Å; F46-I48 HydrophobicContact CE2-CG1 4.3Å; F46-I48 HydrophobicContact CZ-CD1 3.65Å; F46-I48 HydrophobicContact CZ-CG1 3.37Å; I48-K59 HydrophobicContact CG2-CD 3.7Å; I48-K59 HydrophobicContact CG2-CG 3.38Å; I48-L60 VanDerWaalsContact CA-O 3.28Å; I48-L60 WeakPolarHBondContact CA-O 3.32Å; I48-Q61 HydrophobicContact CG1-CG 4.4Å
49K96.1Very high88.6Confident56 Ų5664.5 Ų64.524%0.24334%0.341CS..EExtended strand (participates in β ladder)trans-127130.9168-178.8162.6173.6-172.20109.3F29 V51 L60F29-K49 HydrophobicContact CD1-CD 4.06Å; F29-K49 HydrophobicContact CE1-CB 4.14Å; F29-K49 HydrophobicContact CE1-CD 3.66Å; F29-K49 HydrophobicContact CE1-CG 4.22Å; F29-K49 HydrophobicContact CE2-CD 4.26Å; F29-K49 HydrophobicContact CZ-CD 3.77Å; F29-K49 HydrophobicContact CZ-CG 4.41Å; F29-K49 WeakPolarHBondContact O-CD 3.28Å; F29-K49 PolarHBondContact O-NZ 3.42Å; K49-V51 HydrophobicContact CG-CG1 4.28Å; K49-L60 PolarHBondContact N-O 3.49Å; K49-L60 WeakPolarHBondContact O-CA 3.5Å; K49-L60 WeakPolarHBondContact O-CB 3.27Å; K49-L60 PolarHBondContact O-N 2.89Å
50T96.8Very high89.6Confident72 Ų7258.4 Ų58.444%0.44231%0.31SS..EExtended strand (participates in β ladder)trans-93.1129.4172.9-54.30000108.4K57 I58T50-K57 HydrophobicContact CG2-CB 4.37Å; T50-I58 CarbonylContact C-O 3.41Å; T50-I58 WeakPolarHBondContact CA-O 3.13Å
51V97.2Very high90.4Very high15 Ų1558.3 Ų58.39%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-120.6159175.4-58.70000109.3F29 K49 L53 I58 L60 L164F29-V51 HydrophobicContact CZ-CG1 4.05Å; K49-V51 HydrophobicContact CG-CG1 4.28Å; V51-L53 HydrophobicContact CG2-CD1 4.27Å; V51-L53 HydrophobicContact CG2-CG 4.28Å; V51-I58 HydrophobicContact CG2-CB 4.07Å; V51-I58 PolarHBondContact N-O 2.93Å; V51-I58 PolarHBondContact O-N 2.86Å; V51-L60 HydrophobicContact CG1-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD2 4.43Å; V51-L60 HydrophobicContact CG2-CG 4.07Å; V51-L164 HydrophobicContact CB-CD2 4.04Å; V51-L164 HydrophobicContact CG1-CD2 3.93Å; V51-L164 HydrophobicContact CG2-CD2 4.24Å
52E96.3Very high91.5Very high133 Ų13356.9 Ų56.962%0.62130%0.295SS*.EExtended strand (participates in β ladder)trans-111120.1173.2-168.6171.3154.200109.3K56E52-K56 WeakPolarHBondContact CA-O 3.39Å
53L95.4Very high92.7Very high27 Ų2752.7 Ų52.714%0.14127%0.27CS..EExtended strand (participates in β ladder)trans-134.5128.2178.5-69.6176.3000109V51 G55 K56 I58 L164 A167 L171V51-L53 HydrophobicContact CG2-CD1 4.27Å; V51-L53 HydrophobicContact CG2-CG 4.28Å; L53-G55 PolarHBondContact O-N 3.31Å; L53-K56 PolarHBondContact N-O 2.63Å; L53-K56 WeakPolarHBondContact O-CB 3.23Å; L53-K56 PolarHBondContact O-N 3.34Å; L53-I58 HydrophobicContact CB-CD1 3.92Å; L53-I58 HydrophobicContact CD1-CD1 4.23Å; L53-L164 HydrophobicContact CD2-CD2 4.29Å; L53-A167 HydrophobicContact CD1-CB 3.57Å; L53-L171 HydrophobicContact CB-CD2 4.22Å
54Q92.7Very high93.6Very high127 Ų12752 Ų5259%0.59326%0.263SS*.THydrogen-bonded Turntrans51.641.5-179.7-54.9179.5-1.400112.8K56 L171Q54-K56 PolarHBondContact O-N 3.23Å; Q54-L171 HydrophobicContact CB-CD2 4.06Å; Q54-L171 HydrophobicContact CG-CD2 3.97Å
55G93.1Very high93.8Very high62 Ų6250.2 Ų50.264%0.63925%0.254SS*.THydrogen-bonded Turntrans715.5-178.200000115.2L53L53-G55 PolarHBondContact O-N 3.31Å
56K95.1Very high93.6Very high48 Ų4847.4 Ų47.421%0.20924%0.239CC..EExtended strand (participates in β ladder)trans-103.1134.1177.6-55.2-165.3-175.7-156.80110.7D7 L8 E52 L53 Q54 I58 L171 V176D7-K56 HydrophobicContact CB-CB 4.26Å; D7-K56 WeakPolarHBondContact OD2-CA 3.43Å; L8-K56 HydrophobicContact CD1-CD 3.8Å; L8-K56 HydrophobicContact CG-CD 4.46Å; E52-K56 WeakPolarHBondContact CA-O 3.39Å; L53-K56 PolarHBondContact N-O 2.63Å; L53-K56 WeakPolarHBondContact O-CB 3.23Å; L53-K56 PolarHBondContact O-N 3.34Å; Q54-K56 PolarHBondContact O-N 3.23Å; K56-I58 HydrophobicContact CB-CG1 4.23Å; K56-I58 PolarHBondContact O-N 2.98Å; K56-L171 HydrophobicContact CD-CD1 4.15Å; K56-V176 VanDerWaalsContact NZ-CG1 3.35Å
57K96.4Very high92.9Very high106 Ų10644.6 Ų44.646%0.46123%0.23SC..EExtended strand (participates in β ladder)trans-79.8108.6168.8-68.3-177.2-179.4-178.30109.1D7 L8 T50D7-K57 PolarHBondContact N-O 2.93Å; D7-K57 PolarHBondContact OD2-N 3Å; L8-K57 PolarHBondContact N-O 2.8Å; T50-K57 HydrophobicContact CG2-CB 4.37Å
58I97.5Very high91.8Very high0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-107.6118.3-177.4-51.5-172.7000108.8L8 F10 T50 V51 L53 K56 L60 L171L8-I58 HydrophobicContact CB-CG1 4.27Å; L8-I58 HydrophobicContact CB-CG2 4.28Å; L8-I58 HydrophobicContact CD1-CD1 4.31Å; L8-I58 HydrophobicContact CD1-CG1 4.41Å; L8-I58 CarbonylContact O-C 3.57Å; L8-I58 WeakPolarHBondContact O-CA 2.81Å; F10-I58 HydrophobicContact CB-CG2 4.38Å; F10-I58 HydrophobicContact CD1-CG2 4.25Å; F10-I58 HydrophobicContact CD2-CG2 3.42Å; F10-I58 VanDerWaalsContact CD2-CG2 3.42Å; F10-I58 HydrophobicContact CE1-CG2 4.41Å; F10-I58 HydrophobicContact CE2-CD1 3.73Å; F10-I58 HydrophobicContact CE2-CG2 3.61Å; F10-I58 HydrophobicContact CG-CG2 3.75Å; F10-I58 HydrophobicContact CZ-CD1 4.03Å; F10-I58 HydrophobicContact CZ-CG2 4.11Å; T50-I58 CarbonylContact C-O 3.41Å; T50-I58 WeakPolarHBondContact CA-O 3.13Å; V51-I58 HydrophobicContact CG2-CB 4.07Å; V51-I58 PolarHBondContact N-O 2.93Å; V51-I58 PolarHBondContact O-N 2.86Å; L53-I58 HydrophobicContact CB-CD1 3.92Å; L53-I58 HydrophobicContact CD1-CD1 4.23Å; K56-I58 HydrophobicContact CB-CG1 4.23Å; K56-I58 PolarHBondContact O-N 2.98Å; I58-L60 HydrophobicContact CG2-CD2 3.81Å; I58-L171 HydrophobicContact CD1-CD1 4.19Å; I58-L171 HydrophobicContact CD1-CD2 4.08Å
59K97Very high90.4Very high42 Ų4246.4 Ų46.418%0.18324%0.237CC..EExtended strand (participates in β ladder)trans-85.2112.2172.5-174.3175.4-72.2179.30108.9Y6 L8 L9 F10 I48Y6-K59 HydrophobicContact CD1-CB 4.3Å; Y6-K59 HydrophobicContact CD1-CD 4.07Å; Y6-K59 VanDerWaalsContact CD1-NZ 3.33Å; Y6-K59 HydrophobicContact CD2-CB 4.01Å; Y6-K59 HydrophobicContact CE1-CD 4.05Å; Y6-K59 VanDerWaalsContact CE1-NZ 3.34Å; Y6-K59 HydrophobicContact CE2-CB 4.5Å; Y6-K59 HydrophobicContact CG-CB 3.88Å; Y6-K59 HydrophobicContact CG-CD 4.5Å; L8-K59 PolarHBondContact O-N 3.23Å; L9-K59 WeakPolarHBondContact CA-O 3.09Å; L9-K59 HydrophobicContact CD1-CB 3.83Å; L9-K59 HydrophobicContact CD1-CD 3.83Å; L9-K59 HydrophobicContact CD1-CG 3.79Å; F10-K59 PolarHBondContact N-O 2.7Å; I48-K59 HydrophobicContact CG2-CD 3.7Å; I48-K59 HydrophobicContact CG2-CG 3.38Å
60L97.9Very high89.2Confident0 Ų053.4 Ų53.40%026%0.262CS..EExtended strand (participates in β ladder)trans-87.9120173.8-53.7-178.6000109.2F10 L12 F29 I48 K49 V51 I58 I62 A167F10-L60 HydrophobicContact CB-CD2 3.87Å; F10-L60 HydrophobicContact CD2-CD2 3.98Å; F10-L60 HydrophobicContact CG-CD2 4.35Å; L12-L60 HydrophobicContact CD1-CB 4.47Å; L12-L60 HydrophobicContact CD1-CD1 4.27Å; L12-L60 HydrophobicContact CD1-CD2 4.29Å; F29-L60 HydrophobicContact CE1-CD1 3.99Å; F29-L60 HydrophobicContact CZ-CD1 4Å; I48-L60 VanDerWaalsContact CA-O 3.28Å; I48-L60 WeakPolarHBondContact CA-O 3.32Å; K49-L60 PolarHBondContact N-O 3.49Å; K49-L60 WeakPolarHBondContact O-CA 3.5Å; K49-L60 WeakPolarHBondContact O-CB 3.27Å; K49-L60 PolarHBondContact O-N 2.89Å; V51-L60 HydrophobicContact CG1-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD1 3.97Å; V51-L60 HydrophobicContact CG2-CD2 4.43Å; V51-L60 HydrophobicContact CG2-CG 4.07Å; I58-L60 HydrophobicContact CG2-CD2 3.81Å; L60-I62 HydrophobicContact CB-CD1 4.28Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; L60-A167 HydrophobicContact CD2-CB 4.07Å
61Q96.2Very high87.8Confident48 Ų4852.4 Ų52.422%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-95.7105.3168.2-80.2-173.1-22.200108.3L9 F10 L12 F46 I48L9-Q61 HydrophobicContact CD1-CG 3.71Å; L9-Q61 HydrophobicContact CG-CG 4.44Å; F10-Q61 PolarHBondContact O-N 2.9Å; L12-Q61 PolarHBondContact N-O 3.09Å; F46-Q61 HydrophobicContact CE2-CB 3.78Å; F46-Q61 HydrophobicContact CE2-CG 3.87Å; F46-Q61 HydrophobicContact CZ-CB 4.28Å; F46-Q61 HydrophobicContact CZ-CG 3.86Å; I48-Q61 HydrophobicContact CG1-CG 4.4Å
62I96.3Very high86.3Confident0 Ų053.9 Ų53.90%026%0.258CS..EExtended strand (participates in β ladder)trans-109.5118.5-173.3-47168.4000108.4L12 L14 L26 F29 K47 L60 F163L12-I62 HydrophobicContact CB-CG1 4.3Å; L12-I62 HydrophobicContact CB-CG2 4.37Å; L12-I62 HydrophobicContact CD1-CG1 4.28Å; L12-I62 WeakPolarHBondContact O-CA 3.26Å; L14-I62 HydrophobicContact CD1-CG2 4.25Å; L14-I62 HydrophobicContact CG-CG2 4.07Å; L26-I62 HydrophobicContact CD1-CB 3.74Å; L26-I62 HydrophobicContact CD1-CD1 3.87Å; L26-I62 HydrophobicContact CD1-CG1 4.42Å; L26-I62 HydrophobicContact CD1-CG2 3.59Å; F29-I62 HydrophobicContact CD1-CD1 3.63Å; F29-I62 HydrophobicContact CE1-CD1 3.63Å; K47-I62 PolarHBondContact N-O 3.34Å; K47-I62 PolarHBondContact O-N 2.89Å; L60-I62 HydrophobicContact CB-CD1 4.28Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; I62-F163 HydrophobicContact CD1-CD1 4.04Å; I62-F163 HydrophobicContact CD1-CE1 3.73Å; I62-F163 HydrophobicContact CD1-CZ 4.49Å; I62-F163 HydrophobicContact CG1-CE1 4.38Å; I62-F163 HydrophobicContact CG2-CE1 4.02Å
63W93.9Very high84.9Confident55 Ų5553.4 Ų53.421%0.20826%0.264CS..EExtended strand (participates in β ladder)trans-101.7114.5-179.7-62.187.6000108.9L12 L13 L14 I44 F46 Y78L12-W63 PolarHBondContact O-N 2.92Å; L13-W63 HydrophobicContact CD1-CB 3.63Å; L14-W63 PolarHBondContact N-O 3.23Å; I44-W63 HydrophobicContact CG2-CE3 3.71Å; I44-W63 HydrophobicContact CG2-CZ3 4.4Å; F46-W63 HydrophobicContact CB-CE3 3.98Å; F46-W63 HydrophobicContact CB-CZ3 4Å; F46-W63 AromaticContact CD2-CD2 3.54Å; F46-W63 HydrophobicContact CD2-CD2 3.54Å; F46-W63 AromaticContact CD2-CE2 3.5Å; F46-W63 VanDerWaalsContact CD2-CE2 3.5Å; F46-W63 AromaticContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CE3 3.68Å; F46-W63 HydrophobicContact CD2-CG 4.16Å; F46-W63 AromaticContact CD2-CH2 3.87Å; F46-W63 HydrophobicContact CD2-CH2 3.87Å; F46-W63 AromaticContact CD2-CZ2 3.7Å; F46-W63 HydrophobicContact CD2-CZ2 3.7Å; F46-W63 AromaticContact CD2-CZ3 3.83Å; F46-W63 HydrophobicContact CD2-CZ3 3.83Å; F46-W63 AromaticContact CD2-NE1 3.97Å; F46-W63 HydrophobicContact CE2-CD2 4.15Å; F46-W63 AromaticContact CE2-CE2 3.61Å; F46-W63 HydrophobicContact CE2-CH2 4.19Å; F46-W63 AromaticContact CE2-CZ2 3.67Å; F46-W63 HydrophobicContact CE2-CZ2 3.67Å; F46-W63 AromaticContact CE2-NE1 3.82Å; F46-W63 HydrophobicContact CG-CD2 4.47Å; F46-W63 HydrophobicContact CG-CE3 4.18Å; F46-W63 HydrophobicContact CG-CH2 4.29Å; F46-W63 HydrophobicContact CG-CZ3 4.08Å; W63-Y78 HydrophobicContact CB-CD1 4.48Å; W63-Y78 AromaticContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CD1 3.82Å; W63-Y78 AromaticContact CD2-CE1 3.85Å; W63-Y78 HydrophobicContact CD2-CE1 3.85Å; W63-Y78 AromaticContact CE3-CD1 3.77Å; W63-Y78 HydrophobicContact CE3-CD1 3.77Å; W63-Y78 AromaticContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CG-CD1 4.17Å; W63-Y78 HydrophobicContact CH2-CE1 4.03Å; W63-Y78 HydrophobicContact CZ2-CE1 4.48Å; W63-Y78 HydrophobicContact CZ3-CD1 4.28Å; W63-Y78 AromaticContact CZ3-CE1 3.46Å; W63-Y78 HydrophobicContact CZ3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.46Å
64D90.6Very high83.5Confident0 Ų055.5 Ų55.50%027%0.274CS..EExtended strand (participates in β ladder)trans-91.8122.8172.8179.939.2000109.6K22 T23 L26 I44 D45K22-D64 WeakPolarHBondContact CB-OD1 2.85Å; T23-D64 VanDerWaalsContact CA-OD2 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.06Å; T23-D64 VanDerWaalsContact CB-OD2 3.27Å; T23-D64 WeakPolarHBondContact CB-OD2 3.2Å; T23-D64 PolarHBondContact OG1-OD2 3.03Å; L26-D64 HydrophobicContact CD2-CB 3.66Å; I44-D64 CarbonylContact C-O 3.45Å; I44-D64 VanDerWaalsContact CA-O 3.27Å; I44-D64 WeakPolarHBondContact CA-O 3.37Å; I44-D64 WeakPolarHBondContact CG2-O 3.32Å; D45-D64 HydrophobicContact CB-CB 4.26Å; D45-D64 PolarHBondContact N-O 3.17Å; D45-D64 PolarHBondContact O-N 3Å
65T83.8Confident82.5Confident1 Ų149.5 Ų49.51%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-101.1142.6-175.863.70000111.6L13 L14 K22 I44 G67 T75L13-T65 HydrophobicContact CD1-CG2 3.45Å; L13-T65 VanDerWaalsContact CD1-CG2 3.45Å; L13-T65 HydrophobicContact CG-CG2 4.2Å; L14-T65 PolarHBondContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 3Å; K22-T65 WeakPolarHBondContact CE-O 3.2Å; I44-T65 HydrophobicContact CD1-CG2 4.36Å; I44-T65 HydrophobicContact CG1-CG2 4.34Å; T65-G67 PolarHBondContact O-N 3.36Å; T65-T75 HydrophobicContact CG2-CG2 4.11Å
66A79.9Confident81.6Confident2 Ų249 Ų492%0.01723%0.231CC..PPolyproline II helixtrans-61.4129.4165.700000109.6T41 G43 Q68 F71T41-A66 VanDerWaalsContact O-CB 3.26Å; T41-A66 WeakPolarHBondContact O-CB 3.34Å; G43-A66 WeakPolarHBondContact O-CB 3.44Å; G43-A66 PolarHBondContact O-N 3.08Å; A66-Q68 VanDerWaalsContact C-N 3.25Å; A66-Q68 PolarHBondContact O-N 3.46Å; A66-F71 HydrophobicContact CB-CB 4.08Å; A66-F71 HydrophobicContact CB-CD2 3.43Å; A66-F71 VanDerWaalsContact CB-CD2 3.43Å; A66-F71 HydrophobicContact CB-CE2 4.14Å; A66-F71 HydrophobicContact CB-CG 3.99Å
67G71.8Confident81Confident10 Ų1049.8 Ų49.810%0.10324%0.243CC..  trans-85.69.2178.400000114.3G16 S18 T65G16-G67 WeakPolarHBondContact O-CA 3.14Å; S18-G67 PolarHBondContact N-O 2.91Å; T65-G67 PolarHBondContact O-N 3.36Å
68Q70.5Confident80.5Confident62 Ų6247.5 Ų47.529%0.2923%0.231SC..SBendtrans-86.4144.3179.8-60.4-71.448.400110.7S18 A66 R70 F71S18-Q68 VanDerWaalsContact CB-OE1 3.26Å; A66-Q68 VanDerWaalsContact C-N 3.25Å; A66-Q68 PolarHBondContact O-N 3.46Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.4Å; Q68-F71 HydrophobicContact CB-CD2 4.04Å; Q68-F71 PolarHBondContact O-N 2.99Å
69E64.8Low80.2Confident109 Ų10947.5 Ų47.551%0.50923%0.232SC..G310 helixtrans-58.8-36.3-175.169.8-61.7144.100113.9F71 H72E69-F71 PolarHBondContact O-N 3.26Å; E69-F71 VanDerWaalsContact O-N 3.08Å; E69-H72 WeakPolarHBondContact O-CB 3.44Å; E69-H72 VanDerWaalsContact O-CG 3.28Å; E69-H72 PolarHBondContact O-N 2.83Å; E69-H72 VanDerWaalsContact O-N 3.1Å; E69-H72 PolarHBondContact O-ND1 3.35Å
70R69.7Low79.8Confident202 Ų20254.5 Ų54.576%0.76226%0.257SS*.G310 helixtrans-64.1-12.8178.3-71.8-177.2-70.9162.31.1113.8Q68Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.4Å
71F67.5Low79.4Confident52 Ų5256.1 Ų56.123%0.22827%0.273CS..G310 helixtrans-106.63.7177.2-61.6-59.9000113.9I42 A66 Q68 E69 T73 I74 T75I42-F71 HydrophobicContact CG2-CZ 3.95Å; A66-F71 HydrophobicContact CB-CB 4.08Å; A66-F71 HydrophobicContact CB-CD2 3.43Å; A66-F71 VanDerWaalsContact CB-CD2 3.43Å; A66-F71 HydrophobicContact CB-CE2 4.14Å; A66-F71 HydrophobicContact CB-CG 3.99Å; Q68-F71 HydrophobicContact CB-CD2 4.04Å; Q68-F71 PolarHBondContact O-N 2.99Å; E69-F71 PolarHBondContact O-N 3.26Å; E69-F71 VanDerWaalsContact O-N 3.08Å; F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 2.56Å; F71-I74 HydrophobicContact CD1-CD1 3.67Å; F71-I74 HydrophobicContact CE1-CD1 4.4Å; F71-I74 WeakPolarHBondContact O-CA 3.29Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 PolarHBondContact O-N 3.44Å; F71-T75 PolarHBondContact O-N 2.98Å; F71-T75 VanDerWaalsContact O-N 3.1Å; F71-T75 PolarHBondContact O-OG1 3Å
72H66.8Low79.4Confident46 Ų4653.8 Ų53.821%0.21326%0.262CS..Hα-helixtrans-54.8-41.8-177.9-74.3166.4000113.8E69 I74 T75 T76E69-H72 WeakPolarHBondContact O-CB 3.44Å; E69-H72 VanDerWaalsContact O-CG 3.28Å; E69-H72 PolarHBondContact O-N 2.83Å; E69-H72 VanDerWaalsContact O-N 3.1Å; E69-H72 PolarHBondContact O-ND1 3.35Å; H72-I74 PolarHBondContact O-N 2.88Å; H72-T75 WeakPolarHBondContact O-CB 3.33Å; H72-T75 PolarHBondContact O-N 2.79Å; H72-T75 VanDerWaalsContact O-N 3.12Å; H72-T76 PolarHBondContact O-N 2.65Å; H72-T76 PolarHBondContact O-OG1 3.32Å
73T66.6Low79.4Confident123 Ų12356.8 Ų56.876%0.75528%0.277SS*.Hα-helixtrans-61.2-35177.5-50.30000112F71F71-T73 VanDerWaalsContact C-N 3.31Å; F71-T73 PolarHBondContact O-N 2.56Å
74I65.6Low79.6Confident70 Ų7054.1 Ų54.136%0.35927%0.267SS..Hα-helixtrans-65.6-50.1175.2-52.2-172.4000108.3I44 F71 H72 T76 S77 Y78I44-I74 HydrophobicContact CD1-CG2 3.47Å; I44-I74 VanDerWaalsContact CD1-CG2 3.47Å; I44-I74 HydrophobicContact CG1-CG2 4.18Å; F71-I74 HydrophobicContact CD1-CD1 3.67Å; F71-I74 HydrophobicContact CE1-CD1 4.4Å; F71-I74 WeakPolarHBondContact O-CA 3.29Å; F71-I74 WeakPolarHBondContact O-CB 3.49Å; F71-I74 PolarHBondContact O-N 3.44Å; H72-I74 PolarHBondContact O-N 2.88Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 2.67Å; I74-S77 PolarHBondContact O-N 2.87Å; I74-S77 VanDerWaalsContact O-N 3.13Å; I74-S77 PolarHBondContact O-OG 3.41Å; I74-Y78 HydrophobicContact CG2-CD2 4.47Å; I74-Y78 HydrophobicContact CG2-CE2 3.86Å; I74-Y78 WeakPolarHBondContact O-CD2 3.3Å
75T71.2Confident80Confident2 Ų254.2 Ų54.21%0.01227%0.267CS..Hα-helixtrans-53.4-42.8178.8-49.10000112.4I15 T65 F71 H72 S77 Y78 Y79I15-T75 HydrophobicContact CG2-CG2 4.19Å; T65-T75 HydrophobicContact CG2-CG2 4.11Å; F71-T75 PolarHBondContact O-N 2.98Å; F71-T75 VanDerWaalsContact O-N 3.1Å; F71-T75 PolarHBondContact O-OG1 3Å; H72-T75 WeakPolarHBondContact O-CB 3.33Å; H72-T75 PolarHBondContact O-N 2.79Å; H72-T75 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact O-N 3.4Å; T75-Y78 PolarHBondContact O-N 2.92Å; T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 3.66Å; T75-Y79 WeakPolarHBondContact O-CD2 3.46Å
76T75.7Confident80.7Confident52 Ų5254.1 Ų54.132%0.31927%0.267SS..Hα-helixtrans-51.5-41.6179.1-58.50000112.9H72 I74 Y78 Y79 H110H72-T76 PolarHBondContact O-N 2.65Å; H72-T76 PolarHBondContact O-OG1 3.32Å; I74-T76 VanDerWaalsContact C-N 3.29Å; I74-T76 PolarHBondContact O-N 2.67Å; T76-Y78 PolarHBondContact O-N 3.28Å; T76-Y79 PolarHBondContact O-N 3.19Å; T76-H110 HydrophobicContact CG2-CB 4.27Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.35Å
77S81.5Confident81.5Confident64 Ų6454.2 Ų54.245%0.44827%0.267SS..Hα-helixtrans-66.9-22.6-179.671.50000114I74 T75I74-S77 PolarHBondContact O-N 2.87Å; I74-S77 VanDerWaalsContact O-N 3.13Å; I74-S77 PolarHBondContact O-OG 3.41Å; T75-S77 PolarHBondContact O-N 3.4Å
78Y85.7Confident82.8Confident57 Ų5753.7 Ų53.722%0.22426%0.262CS..Hα-helixtrans-88.4-19.9-176.5-72.7-97.2000113.6K11 I44 W63 I74 T75 T76 R80K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 3.23Å; I44-Y78 HydrophobicContact CD1-CD1 4.18Å; I44-Y78 HydrophobicContact CD1-CD2 3.22Å; I44-Y78 HydrophobicContact CD1-CE1 3.97Å; I44-Y78 HydrophobicContact CD1-CE2 2.99Å; I44-Y78 HydrophobicContact CD1-CG 3.83Å; I44-Y78 HydrophobicContact CG1-CE2 4.41Å; I44-Y78 HydrophobicContact CG2-CE1 4.23Å; W63-Y78 HydrophobicContact CB-CD1 4.48Å; W63-Y78 AromaticContact CD2-CD1 3.82Å; W63-Y78 HydrophobicContact CD2-CD1 3.82Å; W63-Y78 AromaticContact CD2-CE1 3.85Å; W63-Y78 HydrophobicContact CD2-CE1 3.85Å; W63-Y78 AromaticContact CE3-CD1 3.77Å; W63-Y78 HydrophobicContact CE3-CD1 3.77Å; W63-Y78 AromaticContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CE3-CE1 3.35Å; W63-Y78 HydrophobicContact CG-CD1 4.17Å; W63-Y78 HydrophobicContact CH2-CE1 4.03Å; W63-Y78 HydrophobicContact CZ2-CE1 4.48Å; W63-Y78 HydrophobicContact CZ3-CD1 4.28Å; W63-Y78 AromaticContact CZ3-CE1 3.46Å; W63-Y78 HydrophobicContact CZ3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CZ3-CE1 3.46Å; I74-Y78 HydrophobicContact CG2-CD2 4.47Å; I74-Y78 HydrophobicContact CG2-CE2 3.86Å; I74-Y78 WeakPolarHBondContact O-CD2 3.3Å; T75-Y78 PolarHBondContact O-N 2.92Å; T76-Y78 PolarHBondContact O-N 3.28Å; Y78-R80 PolarHBondContact O-N 3.15Å
79Y90.9Very high84.1Confident1 Ų150.8 Ų50.80%0.00425%0.248CC..Hα-helixtrans-58.3-37.3171.3-72.9-88.2000111.4L13 I15 T75 T76 G81 A82 I85 N106 I107 H110 A111L13-Y79 HydrophobicContact CD2-CD1 4.21Å; L13-Y79 HydrophobicContact CD2-CD2 4.48Å; L13-Y79 HydrophobicContact CD2-CE1 4.38Å; L13-Y79 HydrophobicContact CD2-CG 4.28Å; I15-Y79 HydrophobicContact CD1-CE1 4.13Å; T75-Y79 HydrophobicContact CG2-CD2 4.45Å; T75-Y79 HydrophobicContact CG2-CE2 3.66Å; T75-Y79 WeakPolarHBondContact O-CD2 3.46Å; T76-Y79 PolarHBondContact O-N 3.19Å; Y79-G81 PolarHBondContact O-N 3.23Å; Y79-A82 WeakPolarHBondContact O-CB 3.32Å; Y79-A82 PolarHBondContact O-N 3.09Å; Y79-I85 HydrophobicContact CD1-CD1 3.63Å; Y79-I85 HydrophobicContact CE1-CD1 4.02Å; Y79-N106 WeakPolarHBondContact OH-CB 3.38Å; Y79-I107 HydrophobicContact CD1-CG1 4.35Å; Y79-I107 HydrophobicContact CE1-CB 4.24Å; Y79-I107 HydrophobicContact CE1-CG1 3.64Å; Y79-H110 WeakPolarHBondContact CB-O 3.36Å; Y79-H110 HydrophobicContact CD2-CB 4.11Å; Y79-H110 HydrophobicContact CG-CB 3.92Å; Y79-A111 HydrophobicContact CD1-CB 4.17Å
80R88.6Confident85.7Confident189 Ų18945.9 Ų45.971%0.71323%0.226SC*.THydrogen-bonded Turntrans-58.7122.5178-172.6177.6-66.8129.20.3110.8K11 Y78 A82K11-R80 PolarHBondContact NZ-O 2.88Å; Y78-R80 PolarHBondContact O-N 3.15Å; R80-A82 PolarHBondContact O-N 2.99Å
81G90.7Very high87.1Confident33 Ų3336.3 Ų36.334%0.3419%0.189SC..THydrogen-bonded Turntrans69.98.3-179.900000114.9Y79 M83Y79-G81 PolarHBondContact O-N 3.23Å; G81-M83 PolarHBondContact O-N 2.97Å
82A95.5Very high88.6Confident0 Ų035.5 Ų35.50%019%0.189CC..  trans-63.3130164.500000108.4L13 Y79 R80 I85 V115L13-A82 HydrophobicContact CB-CB 4.41Å; Y79-A82 WeakPolarHBondContact O-CB 3.32Å; Y79-A82 PolarHBondContact O-N 3.09Å; R80-A82 PolarHBondContact O-N 2.99Å; A82-I85 HydrophobicContact CB-CD1 4.29Å; A82-I85 HydrophobicContact CB-CG1 4.03Å; A82-V115 WeakPolarHBondContact O-CG2 3.48Å
83M97.3Very high90.1Very high62 Ų6236.2 Ų36.231%0.30519%0.194SC..SBendtrans-93.4-28.6177.4-61.2172.972.600110.7F10 K11 G81 E116 I170F10-M83 HydrophobicContact CB-SD 4.32Å; F10-M83 HydrophobicContact CD1-CE 3.45Å; F10-M83 VanDerWaalsContact CD1-CE 3.45Å; F10-M83 HydrophobicContact CD1-SD 3.83Å; F10-M83 HydrophobicContact CE1-CE 3.75Å; F10-M83 HydrophobicContact CG-CE 4.35Å; F10-M83 HydrophobicContact CG-SD 4.42Å; K11-M83 PolarHBondContact O-N 3.35Å; G81-M83 PolarHBondContact O-N 2.97Å; M83-E116 PolarHBondContact O-N 2.67Å; M83-I170 HydrophobicContact CB-CD1 4.12Å; M83-I170 HydrophobicContact CB-CG1 4.48Å; M83-I170 HydrophobicContact CB-CG2 3.96Å; M83-I170 HydrophobicContact CE-CG2 3.61Å
84G98Very high91.6Very high0 Ų031.5 Ų31.50%017%0.171CC..EExtended strand (participates in β ladder)trans-138.9145172.200000112.2K11 L12 L13 E116K11-G84 PolarHBondContact O-N 3.25Å; L12-G84 CarbonylContact C-O 3.57Å; L12-G84 VanDerWaalsContact CA-O 3.27Å; L12-G84 WeakPolarHBondContact CA-O 3.28Å; L13-G84 PolarHBondContact N-O 3.19Å; G84-E116 CarbonylContact C-O 3.54Å; G84-E116 VanDerWaalsContact CA-O 3.23Å; G84-E116 WeakPolarHBondContact CA-O 3.35Å
85I97.7Very high93.1Very high1 Ų134.8 Ų34.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-128.7126.1176.7-59.1178.8000109L13 I15 Y79 A82 I107 A111 V115 E116 R117 M118L13-I85 HydrophobicContact CB-CG1 4.18Å; L13-I85 WeakPolarHBondContact O-CA 3.42Å; I15-I85 HydrophobicContact CD1-CG2 3.73Å; I15-I85 HydrophobicContact CG1-CG2 3.72Å; I15-I85 HydrophobicContact CG2-CG2 4.48Å; Y79-I85 HydrophobicContact CD1-CD1 3.63Å; Y79-I85 HydrophobicContact CE1-CD1 4.02Å; A82-I85 HydrophobicContact CB-CD1 4.29Å; A82-I85 HydrophobicContact CB-CG1 4.03Å; I85-I107 HydrophobicContact CD1-CG1 4.03Å; I85-I107 HydrophobicContact CD1-CG2 3.96Å; I85-I107 HydrophobicContact CG2-CD1 3.98Å; I85-I107 HydrophobicContact CG2-CG1 4.2Å; I85-A111 HydrophobicContact CD1-CB 3.96Å; I85-V115 HydrophobicContact CD1-CG2 3.86Å; I85-V115 HydrophobicContact CG1-CG2 3.74Å; I85-E116 PolarHBondContact N-O 3.15Å; I85-R117 WeakPolarHBondContact O-CA 3.28Å; I85-M118 PolarHBondContact O-N 2.89Å
86M98.5Very high94.4Very high0 Ų034.7 Ų34.70%018%0.182CC..EExtended strand (participates in β ladder)trans-103.3115.9170.7-51.3177.6100.200108.9L13 L14 I15 M118 L120 A162 F163 L166L13-M86 PolarHBondContact O-N 2.84Å; L14-M86 HydrophobicContact CD2-CB 3.62Å; L14-M86 HydrophobicContact CD2-CG 3.97Å; L14-M86 HydrophobicContact CD2-SD 3.63Å; I15-M86 PolarHBondContact N-O 3.32Å; M86-M118 CarbonylContact C-O 3.35Å; M86-M118 WeakPolarHBondContact CA-O 3.37Å; M86-M118 HydrophobicContact CE-SD 3.69Å; M86-L120 HydrophobicContact CB-CD1 4.3Å; M86-L120 HydrophobicContact CE-CD1 3.79Å; M86-L120 HydrophobicContact CE-CD2 4.28Å; M86-L120 HydrophobicContact CE-CG 4.39Å; M86-L120 HydrophobicContact SD-CD1 4.4Å; M86-A162 HydrophobicContact CE-CB 3.59Å; M86-F163 HydrophobicContact CE-CD1 4.31Å; M86-F163 HydrophobicContact CE-CD2 4.34Å; M86-F163 HydrophobicContact CE-CE1 4.47Å; M86-F163 HydrophobicContact CE-CE2 4.5Å; M86-F163 HydrophobicContact CE-CG 4.24Å; M86-F163 HydrophobicContact SD-CD1 3.71Å; M86-F163 HydrophobicContact SD-CD2 4.42Å; M86-F163 HydrophobicContact SD-CE1 3.44Å; M86-F163 WeakPolarHBondContact SD-CE1 3.2Å; M86-F163 HydrophobicContact SD-CE2 4.2Å; M86-F163 HydrophobicContact SD-CG 4.2Å; M86-F163 HydrophobicContact SD-CZ 3.71Å; M86-L166 HydrophobicContact CG-CD2 3.43Å; M86-L166 VanDerWaalsContact CG-CD2 3.43Å; M86-L166 HydrophobicContact SD-CD2 4.19Å
87L97.6Very high95.5Very high3 Ų333.7 Ų33.72%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-94.7121.6176.4175.155.1000109.4I15 I100 W103 L104 M118 L119 L120I15-L87 HydrophobicContact CD1-CD1 4.01Å; I15-L87 HydrophobicContact CG1-CB 4.22Å; I15-L87 HydrophobicContact CG1-CD1 3.8Å; L87-I100 HydrophobicContact CD1-CD1 3.77Å; L87-I100 HydrophobicContact CD2-CB 4.48Å; L87-I100 HydrophobicContact CD2-CD1 3.7Å; L87-I100 HydrophobicContact CD2-CG2 3.8Å; L87-I100 HydrophobicContact CG-CD1 3.5Å; L87-W103 HydrophobicContact CD1-CB 3.37Å; L87-W103 HydrophobicContact CD1-CD2 4.44Å; L87-W103 HydrophobicContact CD1-CG 3.66Å; L87-W103 HydrophobicContact CD2-CB 3.92Å; L87-W103 HydrophobicContact CG-CB 4.32Å; L87-L104 HydrophobicContact CD2-CD2 3.99Å; L87-L104 HydrophobicContact CD2-CG 3.82Å; L87-M118 PolarHBondContact N-O 2.76Å; L87-L119 HydrophobicContact CB-CD1 4.34Å; L87-L119 HydrophobicContact CD2-CD1 4.21Å; L87-L119 HydrophobicContact CG-CD1 3.98Å; L87-L119 CarbonylContact O-C 3.51Å; L87-L119 WeakPolarHBondContact O-CA 3.44Å; L87-L120 PolarHBondContact O-N 2.85Å
88V98.4Very high96.3Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-115.7131.4-171.2-167.20000110.8I15 V20 K22 L120 N122I15-V88 PolarHBondContact O-N 3.46Å; V20-V88 HydrophobicContact CB-CG1 4.33Å; V20-V88 HydrophobicContact CG2-CB 3.9Å; V20-V88 HydrophobicContact CG2-CG1 3.87Å; K22-V88 HydrophobicContact CG-CB 4.1Å; K22-V88 HydrophobicContact CG-CG2 4.13Å; V88-L120 WeakPolarHBondContact CA-O 3.46Å; V88-L120 HydrophobicContact CG1-CB 4.3Å; V88-L120 HydrophobicContact CG2-CB 4.28Å; V88-L120 HydrophobicContact CG2-CD1 4.15Å; V88-N122 HydrophobicContact CG1-CB 3.76Å
89Y98.6Very high96.8Very high0 Ų036.5 Ų36.50%018%0.182CC..EExtended strand (participates in β ladder)trans-121.6167.1163.471.4-85000110.6I91 F97 I100 L119 L120 G121 N122 V132 F148Y89-I91 HydrophobicContact CE2-CG2 3.93Å; Y89-F97 HydrophobicContact CD1-CD2 4.01Å; Y89-F97 HydrophobicContact CD2-CB 4.04Å; Y89-F97 AromaticContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CG 4.43Å; Y89-F97 AromaticContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CE2 4.22Å; Y89-F97 AromaticContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CG-CB 4.37Å; Y89-F97 AromaticContact CG-CD2 3.98Å; Y89-F97 HydrophobicContact CG-CD2 3.98Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; Y89-I100 HydrophobicContact CD1-CD1 4.15Å; Y89-I100 HydrophobicContact CD1-CG1 4.35Å; Y89-I100 HydrophobicContact CG-CD1 4.49Å; Y89-L119 HydrophobicContact CD1-CD1 3.85Å; Y89-L119 HydrophobicContact CD1-CG 4.28Å; Y89-L119 HydrophobicContact CE1-CD1 4.1Å; Y89-L119 HydrophobicContact CE1-CD2 4.16Å; Y89-L119 HydrophobicContact CE1-CG 4.02Å; Y89-L120 VanDerWaalsContact CD1-O 3.28Å; Y89-L120 WeakPolarHBondContact CD1-O 3.29Å; Y89-L120 PolarHBondContact N-O 2.94Å; Y89-G121 VanDerWaalsContact CE1-CA 3.42Å; Y89-N122 PolarHBondContact O-N 3.21Å; Y89-V132 HydrophobicContact CD2-CG1 4.47Å; Y89-V132 HydrophobicContact CE2-CB 4.02Å; Y89-V132 HydrophobicContact CE2-CG1 3.71Å; Y89-V132 HydrophobicContact CE2-CG2 4.38Å; Y89-F148 HydrophobicContact CE1-CE2 4.06Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.48Å
90D98.6Very high97.1Very high7 Ų736.5 Ų36.54%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-104.5124175.8172.1-4.1000109.6V20 T92 N93 S96 K123V20-D90 HydrophobicContact CB-CB 4.2Å; V20-D90 HydrophobicContact CG1-CB 4.21Å; D90-T92 VanDerWaalsContact CG-OG1 3.25Å; D90-T92 PolarHBondContact O-N 3.46Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 WeakPolarHBondContact OD1-CB 3.49Å; D90-T92 PolarHBondContact OD1-N 3.41Å; D90-T92 PolarHBondContact OD1-OG1 3.06Å; D90-T92 PolarHBondContact OD2-OG1 2.93Å; D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 PolarHBondContact O-N 3.35Å; D90-S96 PolarHBondContact N-OG 3.25Å; D90-S96 PolarHBondContact O-OG 3.03Å; D90-K123 WeakPolarHBondContact OD2-CD 3.49Å; D90-K123 VanDerWaalsContact OD2-CE 3.26Å; D90-K123 WeakPolarHBondContact OD2-CE 3.47Å; D90-K123 IonicContact OD2-NZ 3.14Å; D90-K123 PolarHBondContact OD2-NZ 3.27Å
91I98.8Very high97.4Very high0 Ų030 Ų300%017%0.166CC..THydrogen-bonded Turntrans-62.8-17.5-177.764.5144.8000113.6Y89 N122 K123 R130 V131 V132Y89-I91 HydrophobicContact CE2-CG2 3.93Å; I91-N122 WeakPolarHBondContact CG1-O 3.32Å; I91-N122 PolarHBondContact N-O 3.32Å; I91-K123 WeakPolarHBondContact CD1-O 3.45Å; I91-K123 HydrophobicContact CG1-CB 4.5Å; I91-K123 WeakPolarHBondContact CG1-O 3.42Å; I91-R130 HydrophobicContact CD1-CB 4.14Å; I91-R130 HydrophobicContact CD1-CG 4.25Å; I91-R130 VanDerWaalsContact CD1-CZ 3.47Å; I91-V131 PolarHBondContact O-N 3.19Å; I91-V132 PolarHBondContact O-N 3.42Å
92T98.5Very high97.5Very high36 Ų3632.4 Ų32.422%0.22117%0.167CC..THydrogen-bonded Turntrans-94.8-2.2177.972.70000112.9D90 M126 K129 V131D90-T92 VanDerWaalsContact CG-OG1 3.25Å; D90-T92 PolarHBondContact O-N 3.46Å; D90-T92 VanDerWaalsContact O-N 3.08Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 WeakPolarHBondContact OD1-CB 3.49Å; D90-T92 PolarHBondContact OD1-N 3.41Å; D90-T92 PolarHBondContact OD1-OG1 3.06Å; D90-T92 PolarHBondContact OD2-OG1 2.93Å; T92-M126 HydrophobicContact CG2-CB 3.71Å; T92-M126 HydrophobicContact CG2-CE 4.31Å; T92-M126 HydrophobicContact CG2-SD 4.47Å; T92-K129 WeakPolarHBondContact CB-O 3.21Å; T92-K129 HydrophobicContact CG2-CB 3.92Å; T92-V131 VanDerWaalsContact C-CG2 3.4Å; T92-V131 WeakPolarHBondContact O-CG2 3.46Å
93N98.2Very high97.5Very high60 Ų6032.6 Ų32.632%0.32117%0.168SC..  trans-127.198.1-178.4-176.6-17.6000111.5D90 K95 S96D90-N93 HydrophobicContact CB-CB 4Å; D90-N93 PolarHBondContact O-N 3.35Å; N93-K95 VanDerWaalsContact C-N 3.31Å; N93-K95 PolarHBondContact O-N 3.29Å; N93-K95 WeakPolarHBondContact OD1-CB 3.31Å; N93-K95 PolarHBondContact OD1-N 2.91Å; N93-K95 VanDerWaalsContact OD1-N 3.17Å; N93-S96 WeakPolarHBondContact O-CB 3.47Å; N93-S96 PolarHBondContact O-N 3.45Å; N93-S96 VanDerWaalsContact O-N 3.13Å; N93-S96 PolarHBondContact O-OG 3.34Å; N93-S96 PolarHBondContact OD1-N 2.86Å
94G98.2Very high97.3Very high25 Ų2529.8 Ų29.826%0.25815%0.154SC..Hα-helixtrans-58.1-38.4-179.100000113.9S96 F97 E98 V131G94-S96 VanDerWaalsContact C-N 3.29Å; G94-S96 PolarHBondContact O-N 2.81Å; G94-F97 WeakPolarHBondContact O-CB 3.44Å; G94-F97 PolarHBondContact O-N 2.85Å; G94-E98 WeakPolarHBondContact O-CG 3.27Å; G94-E98 PolarHBondContact O-N 2.9Å; G94-V131 VanDerWaalsContact N-CG2 3.31Å
95K98Very high97.1Very high138 Ų13835.9 Ų35.960%0.618%0.177SC*.Hα-helixtrans-61.7-38.1178.1-175.7176.4-179.8178.10112.2N93 F97 E98 N99N93-K95 VanDerWaalsContact C-N 3.31Å; N93-K95 PolarHBondContact O-N 3.29Å; N93-K95 WeakPolarHBondContact OD1-CB 3.31Å; N93-K95 PolarHBondContact OD1-N 2.91Å; N93-K95 VanDerWaalsContact OD1-N 3.17Å; K95-F97 PolarHBondContact O-N 2.67Å; K95-E98 PolarHBondContact O-N 3.19Å; K95-N99 WeakPolarHBondContact O-CB 3.47Å; K95-N99 PolarHBondContact O-N 2.9Å; K95-N99 PolarHBondContact O-ND2 3.48Å
96S97.8Very high96.9Very high1 Ų137.3 Ų37.31%0.00719%0.185CC..Hα-helixtrans-63.6-31.3176.576.60000112.6D17 D90 N93 G94D17-S96 WeakPolarHBondContact OD2-CA 3.43Å; D90-S96 PolarHBondContact N-OG 3.25Å; D90-S96 PolarHBondContact O-OG 3.03Å; N93-S96 WeakPolarHBondContact O-CB 3.47Å; N93-S96 PolarHBondContact O-N 3.45Å; N93-S96 VanDerWaalsContact O-N 3.13Å; N93-S96 PolarHBondContact O-OG 3.34Å; N93-S96 PolarHBondContact OD1-N 2.86Å; G94-S96 VanDerWaalsContact C-N 3.29Å; G94-S96 PolarHBondContact O-N 2.81Å
97F98.5Very high96.6Very high30 Ų3037.4 Ų37.413%0.13219%0.185CC..Hα-helixtrans-77-41.6174.3-177.7-99.8000112.2Y89 G94 K95 N99 I100 V132 K136 I140Y89-F97 HydrophobicContact CD1-CD2 4.01Å; Y89-F97 HydrophobicContact CD2-CB 4.04Å; Y89-F97 AromaticContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CD2 3.89Å; Y89-F97 HydrophobicContact CD2-CG 4.43Å; Y89-F97 AromaticContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CD2 3.92Å; Y89-F97 HydrophobicContact CE1-CE2 4.22Å; Y89-F97 AromaticContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CE2-CD2 3.83Å; Y89-F97 HydrophobicContact CG-CB 4.37Å; Y89-F97 AromaticContact CG-CD2 3.98Å; Y89-F97 HydrophobicContact CG-CD2 3.98Å; Y89-F97 AromaticContact CZ-CD2 3.85Å; G94-F97 WeakPolarHBondContact O-CB 3.44Å; G94-F97 PolarHBondContact O-N 2.85Å; K95-F97 PolarHBondContact O-N 2.67Å; F97-N99 PolarHBondContact O-N 3.47Å; F97-I100 HydrophobicContact CD2-CG1 4.26Å; F97-I100 WeakPolarHBondContact O-CB 3.39Å; F97-I100 WeakPolarHBondContact O-CG1 3.38Å; F97-I100 PolarHBondContact O-N 3.34Å; F97-V132 HydrophobicContact CB-CG1 4.11Å; F97-V132 HydrophobicContact CB-CG2 3.73Å; F97-V132 HydrophobicContact CD1-CG1 4.05Å; F97-V132 HydrophobicContact CD2-CG1 3.72Å; F97-V132 HydrophobicContact CE1-CG1 4.45Å; F97-V132 HydrophobicContact CE2-CG1 4.15Å; F97-V132 HydrophobicContact CG-CG1 3.67Å; F97-V132 HydrophobicContact CG-CG2 4.2Å; F97-K136 HydrophobicContact CE1-CB 3.91Å; F97-K136 HydrophobicContact CE1-CD 4.07Å; F97-K136 HydrophobicContact CE2-CB 4.41Å; F97-K136 HydrophobicContact CZ-CB 3.66Å; F97-I140 HydrophobicContact CE2-CG2 4.03Å; F97-I140 HydrophobicContact CZ-CG2 4.09Å
98E97.8Very high96.5Very high136 Ų13641.5 Ų41.564%0.63621%0.207SC*.Hα-helixtrans-57.8-37.2174.9-69.9166.6-173.600112.1G94 K95 I100 S101G94-E98 WeakPolarHBondContact O-CG 3.27Å; G94-E98 PolarHBondContact O-N 2.9Å; K95-E98 PolarHBondContact O-N 3.19Å; E98-I100 PolarHBondContact O-N 3.31Å; E98-S101 PolarHBondContact O-OG 2.95Å
99N96.5Very high96.3Very high44 Ų4447.7 Ų47.724%0.23524%0.236CC..THydrogen-bonded Turntrans-72.3-10178.1-74.1-26.5000114.3D17 K95 F97 S101 K102 W103D17-N99 WeakPolarHBondContact OD1-CB 3.27Å; D17-N99 PolarHBondContact OD1-ND2 3.03Å; D17-N99 PolarHBondContact OD2-ND2 3.02Å; K95-N99 WeakPolarHBondContact O-CB 3.47Å; K95-N99 PolarHBondContact O-N 2.9Å; K95-N99 PolarHBondContact O-ND2 3.48Å; F97-N99 PolarHBondContact O-N 3.47Å; N99-S101 PolarHBondContact O-N 3.45Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.43Å; N99-W103 PolarHBondContact O-N 3.39Å; N99-W103 VanDerWaalsContact O-N 3.12Å
100I96.9Very high96Very high1 Ų151 Ų511%0.00525%0.251CS..Hα-helixtrans-54.8-41.1177.6-70-64.7000111.8L87 Y89 F97 E98 K102 W103 L104 L119 I140L87-I100 HydrophobicContact CD1-CD1 3.77Å; L87-I100 HydrophobicContact CD2-CB 4.48Å; L87-I100 HydrophobicContact CD2-CD1 3.7Å; L87-I100 HydrophobicContact CD2-CG2 3.8Å; L87-I100 HydrophobicContact CG-CD1 3.5Å; Y89-I100 HydrophobicContact CD1-CD1 4.15Å; Y89-I100 HydrophobicContact CD1-CG1 4.35Å; Y89-I100 HydrophobicContact CG-CD1 4.49Å; F97-I100 HydrophobicContact CD2-CG1 4.26Å; F97-I100 WeakPolarHBondContact O-CB 3.39Å; F97-I100 WeakPolarHBondContact O-CG1 3.38Å; F97-I100 PolarHBondContact O-N 3.34Å; E98-I100 PolarHBondContact O-N 3.31Å; I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.45Å; I100-W103 PolarHBondContact O-N 3.18Å; I100-W103 VanDerWaalsContact O-N 3.12Å; I100-L104 HydrophobicContact CG2-CD1 3.69Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.05Å; I100-L119 HydrophobicContact CD1-CD1 3.62Å; I100-L119 HydrophobicContact CG1-CD1 4.28Å; I100-L119 HydrophobicContact CG2-CD1 4.22Å; I100-I140 HydrophobicContact CB-CD1 4.28Å; I100-I140 HydrophobicContact CG2-CD1 3.55Å; I100-I140 HydrophobicContact CG2-CG1 4.46Å
101S95.1Very high95.8Very high53 Ų5351.5 Ų51.537%0.37126%0.256SS..Hα-helixtrans-59.1-37.8177.9650000112.6E98 N99 R105E98-S101 PolarHBondContact O-OG 2.95Å; N99-S101 PolarHBondContact O-N 3.45Å; S101-R105 WeakPolarHBondContact O-CG 3.25Å; S101-R105 PolarHBondContact O-N 3.11Å; S101-R105 VanDerWaalsContact O-N 3.15Å; S101-R105 PolarHBondContact O-NH1 3.37Å
102K93.4Very high95.5Very high83 Ų8354.9 Ų54.936%0.36128%0.275SS..Hα-helixtrans-68.4-43.1175.6179.8-174.5174.5-176.50111.2N99 I100 L104 R105 N106N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 3.43Å; I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.45Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-R105 PolarHBondContact O-N 3.15Å; K102-N106 PolarHBondContact O-N 3.32Å; K102-N106 PolarHBondContact O-OD1 2.99Å
103W94.1Very high95.2Very high4 Ų462.6 Ų62.62%0.01531%0.308CS..Hα-helixtrans-65.5-36.9177.9-70.2111000112.9I15 G16 D17 L87 N99 I100 N106 I107I15-W103 HydrophobicContact CB-CE3 4.11Å; I15-W103 HydrophobicContact CB-CZ3 4.27Å; I15-W103 HydrophobicContact CD1-CB 4.23Å; I15-W103 HydrophobicContact CD1-CE3 4.07Å; I15-W103 HydrophobicContact CG1-CE3 4.49Å; G16-W103 WeakPolarHBondContact O-CZ2 3.31Å; D17-W103 PolarHBondContact OD1-NE1 3.07Å; L87-W103 HydrophobicContact CD1-CB 3.37Å; L87-W103 HydrophobicContact CD1-CD2 4.44Å; L87-W103 HydrophobicContact CD1-CG 3.66Å; L87-W103 HydrophobicContact CD2-CB 3.92Å; L87-W103 HydrophobicContact CG-CB 4.32Å; N99-W103 PolarHBondContact O-N 3.39Å; N99-W103 VanDerWaalsContact O-N 3.12Å; I100-W103 PolarHBondContact O-N 3.18Å; I100-W103 VanDerWaalsContact O-N 3.12Å; W103-N106 PolarHBondContact O-N 2.91Å; W103-I107 WeakPolarHBondContact O-CG1 3.28Å; W103-I107 PolarHBondContact O-N 2.75Å; W103-I107 VanDerWaalsContact O-N 3.09Å
104L95.1Very high95Very high3 Ų364.7 Ų64.72%0.01632%0.32CS..Hα-helixtrans-63.4-46.6174-73.2165.6000111.4L87 I100 K102 N106 I107 D108 I140 I146L87-L104 HydrophobicContact CD2-CD2 3.99Å; L87-L104 HydrophobicContact CD2-CG 3.82Å; I100-L104 HydrophobicContact CG2-CD1 3.69Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.05Å; K102-L104 VanDerWaalsContact C-N 3.34Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 3.47Å; L104-I107 HydrophobicContact CD2-CD1 4.21Å; L104-I107 WeakPolarHBondContact O-CA 3.42Å; L104-I107 WeakPolarHBondContact O-CB 3.42Å; L104-I107 PolarHBondContact O-N 2.8Å; L104-D108 PolarHBondContact O-N 2.88Å; L104-I140 HydrophobicContact CD1-CD1 4.37Å; L104-I140 HydrophobicContact CD1-CG1 4.48Å; L104-I146 HydrophobicContact CD2-CD1 4.16Å
105R93.8Very high94.9Very high129 Ų12963.9 Ų63.949%0.48731%0.309SS..Hα-helixtrans-56.6-42.6173.5-71.1-170.2-57.7-92.14.9112.4S101 K102 I107 D108 E109S101-R105 WeakPolarHBondContact O-CG 3.25Å; S101-R105 PolarHBondContact O-N 3.11Å; S101-R105 VanDerWaalsContact O-N 3.15Å; S101-R105 PolarHBondContact O-NH1 3.37Å; K102-R105 PolarHBondContact O-N 3.15Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.97Å; R105-D108 PolarHBondContact O-N 2.81Å; R105-D108 VanDerWaalsContact O-N 3.15Å; R105-E109 WeakPolarHBondContact O-CG 3.32Å; R105-E109 PolarHBondContact O-N 3.24Å
106N91.8Very high94.9Very high30 Ų3058.9 Ų58.916%0.1629%0.288CS..Hα-helixtrans-62.4-34.5176.2-70.5-1.6000112.7Y79 K102 W103 L104 H110Y79-N106 WeakPolarHBondContact OH-CB 3.38Å; K102-N106 PolarHBondContact O-N 3.32Å; K102-N106 PolarHBondContact O-OD1 2.99Å; W103-N106 PolarHBondContact O-N 2.91Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 3.47Å; N106-H110 PolarHBondContact O-N 2.9Å; N106-H110 PolarHBondContact O-ND1 2.88Å
107I93.9Very high94.9Very high2 Ų261 Ų611%0.0130%0.296CS..Hα-helixtrans-64.2-50.2172.9-65.7161.1000109.3I15 Y79 I85 W103 L104 R105 E109 H110 A111 V115 R117I15-I107 HydrophobicContact CD1-CD1 3.72Å; I15-I107 HydrophobicContact CD1-CG1 3.72Å; Y79-I107 HydrophobicContact CD1-CG1 4.35Å; Y79-I107 HydrophobicContact CE1-CB 4.24Å; Y79-I107 HydrophobicContact CE1-CG1 3.64Å; I85-I107 HydrophobicContact CD1-CG1 4.03Å; I85-I107 HydrophobicContact CD1-CG2 3.96Å; I85-I107 HydrophobicContact CG2-CD1 3.98Å; I85-I107 HydrophobicContact CG2-CG1 4.2Å; W103-I107 WeakPolarHBondContact O-CG1 3.28Å; W103-I107 PolarHBondContact O-N 2.75Å; W103-I107 VanDerWaalsContact O-N 3.09Å; L104-I107 HydrophobicContact CD2-CD1 4.21Å; L104-I107 WeakPolarHBondContact O-CA 3.42Å; L104-I107 WeakPolarHBondContact O-CB 3.42Å; L104-I107 PolarHBondContact O-N 2.8Å; R105-I107 VanDerWaalsContact C-N 3.27Å; R105-I107 PolarHBondContact O-N 2.97Å; I107-E109 VanDerWaalsContact C-N 3.27Å; I107-E109 PolarHBondContact O-N 2.96Å; I107-H110 PolarHBondContact O-N 2.81Å; I107-A111 HydrophobicContact CG2-CB 3.87Å; I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 3.35Å; I107-V115 HydrophobicContact CG2-CG1 4.04Å; I107-R117 HydrophobicContact CG2-CG 4.37Å
108D94.5Very high94.9Very high90 Ų9059.6 Ų59.648%0.48129%0.29SS..Hα-helixtrans-59.7-36.5-178.6-66-38.8000112.7L104 R105 R117L104-D108 PolarHBondContact O-N 2.88Å; R105-D108 PolarHBondContact O-N 2.81Å; R105-D108 VanDerWaalsContact O-N 3.15Å; D108-R117 IonicContact OD1-CZ 3.29Å; D108-R117 IonicContact OD1-NH1 2.75Å; D108-R117 PolarHBondContact OD1-NH1 3.15Å; D108-R117 IonicContact OD1-NH2 2.65Å; D108-R117 PolarHBondContact OD1-NH2 2.72Å
109E93.6Very high94.9Very high130 Ų13053.1 Ų53.161%0.60726%0.26SS*.Hα-helixtrans-76.3-27.6-178.7-73.6170.9-173.100114.2R105 I107R105-E109 WeakPolarHBondContact O-CG 3.32Å; R105-E109 PolarHBondContact O-N 3.24Å; I107-E109 VanDerWaalsContact C-N 3.27Å; I107-E109 PolarHBondContact O-N 2.96Å
110H92.7Very high95Very high68 Ų6851 Ų5132%0.31525%0.249SC..Hα-helixtrans-130.1-18.9-164.6-53.3105.8000115.8T76 Y79 N106 I107T76-H110 HydrophobicContact CG2-CB 4.27Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.35Å; Y79-H110 WeakPolarHBondContact CB-O 3.36Å; Y79-H110 HydrophobicContact CD2-CB 4.11Å; Y79-H110 HydrophobicContact CG-CB 3.92Å; N106-H110 PolarHBondContact O-N 2.9Å; N106-H110 PolarHBondContact O-ND1 2.88Å; I107-H110 PolarHBondContact O-N 2.81Å
111A94.4Very high95.1Very high18 Ų1851 Ų5115%0.14925%0.248CC..SBendtrans-87.4166.3177.300000111.2Y79 I85 I107 V115Y79-A111 HydrophobicContact CD1-CB 4.17Å; I85-A111 HydrophobicContact CD1-CB 3.96Å; I107-A111 HydrophobicContact CG2-CB 3.87Å; I107-A111 WeakPolarHBondContact O-CB 3.49Å; I107-A111 PolarHBondContact O-N 3.35Å; A111-V115 HydrophobicContact CB-CB 4.27Å; A111-V115 HydrophobicContact CB-CG1 3.8Å; A111-V115 HydrophobicContact CB-CG2 4.49Å
112N93.2Very high95.3Very high71 Ų7148.6 Ų48.638%0.3823%0.231SC..  trans-68.8148.8170.4-60.9-7.9000110.1D114 V115N112-D114 WeakPolarHBondContact CB-OD1 3.27Å; N112-D114 PolarHBondContact O-N 3.12Å; N112-V115 VanDerWaalsContact O-CB 3.29Å; N112-V115 WeakPolarHBondContact O-CB 3.5Å; N112-V115 WeakPolarHBondContact O-CG1 3.27Å; N112-V115 PolarHBondContact O-N 3.32Å; N112-V115 VanDerWaalsContact O-N 3.15Å
113E92.1Very high95.5Very high199 Ų19947.1 Ų47.193%0.9323%0.225SC*.THydrogen-bonded Turntrans-58.9-30179.4-65.9-178.9178.300113.2V115E113-V115 VanDerWaalsContact C-N 3.33Å
114D92.8Very high95.8Very high104 Ų10447.9 Ų47.956%0.55623%0.231SC*.THydrogen-bonded Turntrans-84.5-4.3-177.467.3-28.9000114.3N112 E116 K173N112-D114 WeakPolarHBondContact CB-OD1 3.27Å; N112-D114 PolarHBondContact O-N 3.12Å; D114-E116 PolarHBondContact O-N 3.38Å; D114-K173 PolarHBondContact O-NZ 3.12Å
115V96.9Very high95.9Very high7 Ų750.3 Ų50.34%0.04224%0.244CC..  trans-55.3130.8-176.472.80000111.8A82 I85 I107 A111 N112 E113 R117A82-V115 WeakPolarHBondContact O-CG2 3.48Å; I85-V115 HydrophobicContact CD1-CG2 3.86Å; I85-V115 HydrophobicContact CG1-CG2 3.74Å; I107-V115 HydrophobicContact CG2-CG1 4.04Å; A111-V115 HydrophobicContact CB-CB 4.27Å; A111-V115 HydrophobicContact CB-CG1 3.8Å; A111-V115 HydrophobicContact CB-CG2 4.49Å; N112-V115 VanDerWaalsContact O-CB 3.29Å; N112-V115 WeakPolarHBondContact O-CB 3.5Å; N112-V115 WeakPolarHBondContact O-CG1 3.27Å; N112-V115 PolarHBondContact O-N 3.32Å; N112-V115 VanDerWaalsContact O-N 3.15Å; E113-V115 VanDerWaalsContact C-N 3.33Å; V115-R117 HydrophobicContact CG1-CG 4.09Å
116E98Very high96.1Very high33 Ų3346.9 Ų46.915%0.15423%0.234CC..EExtended strand (participates in β ladder)trans-77139.8172.3-72.9-63.5167.600111.2M83 G84 I85 D114 L166 D169 I170 K173M83-E116 PolarHBondContact O-N 2.67Å; G84-E116 CarbonylContact C-O 3.54Å; G84-E116 VanDerWaalsContact CA-O 3.23Å; G84-E116 WeakPolarHBondContact CA-O 3.35Å; I85-E116 PolarHBondContact N-O 3.15Å; D114-E116 PolarHBondContact O-N 3.38Å; E116-L166 HydrophobicContact CB-CD1 3.55Å; E116-D169 HydrophobicContact CG-CB 4.14Å; E116-I170 HydrophobicContact CB-CG1 3.79Å; E116-I170 HydrophobicContact CG-CG1 3.69Å; E116-K173 VanDerWaalsContact CD-NZ 3.26Å; E116-K173 HydrophobicContact CG-CD 4.32Å; E116-K173 WeakPolarHBondContact OE1-CD 3.22Å; E116-K173 WeakPolarHBondContact OE1-CE 3.13Å; E116-K173 IonicContact OE1-NZ 2.63Å; E116-K173 PolarHBondContact OE1-NZ 3Å; E116-K173 IonicContact OE2-NZ 2.93Å
117R97.6Very high96.4Very high45 Ų4549.9 Ų49.917%0.1725%0.25CC..EExtended strand (participates in β ladder)trans-129.2138.7-173.1-57.1172.9-164.8-169.6-3.9110.2I85 I107 D108 V115 I146 R147I85-R117 WeakPolarHBondContact O-CA 3.28Å; I107-R117 HydrophobicContact CG2-CG 4.37Å; D108-R117 IonicContact OD1-CZ 3.29Å; D108-R117 IonicContact OD1-NH1 2.75Å; D108-R117 PolarHBondContact OD1-NH1 3.15Å; D108-R117 IonicContact OD1-NH2 2.65Å; D108-R117 PolarHBondContact OD1-NH2 2.72Å; V115-R117 HydrophobicContact CG1-CG 4.09Å; R117-I146 HydrophobicContact CB-CB 4.18Å; R117-I146 HydrophobicContact CB-CG2 3.52Å; R117-I146 HydrophobicContact CG-CG2 4.44Å; R117-R147 PolarHBondContact O-N 3.47Å
118M98.5Very high96.6Very high1 Ų158 Ų581%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-139.6135177.1-179.2175.8-6900110.5I85 M86 L87 L120 R147 F149 A162 T165 L166I85-M118 PolarHBondContact O-N 2.89Å; M86-M118 CarbonylContact C-O 3.35Å; M86-M118 WeakPolarHBondContact CA-O 3.37Å; M86-M118 HydrophobicContact CE-SD 3.69Å; L87-M118 PolarHBondContact N-O 2.76Å; M118-L120 HydrophobicContact CG-CD2 3.92Å; M118-L120 HydrophobicContact SD-CD2 3.83Å; M118-R147 HydrophobicContact CB-CB 4.35Å; M118-R147 HydrophobicContact CE-CB 3.79Å; M118-R147 HydrophobicContact CE-CG 4.21Å; M118-R147 HydrophobicContact CG-CB 4.02Å; M118-F149 HydrophobicContact CE-CD2 4.04Å; M118-F149 HydrophobicContact CE-CE2 3.73Å; M118-F149 HydrophobicContact CG-CD2 4.44Å; M118-F149 HydrophobicContact SD-CD2 3.67Å; M118-F149 HydrophobicContact SD-CE2 4.01Å; M118-A162 WeakPolarHBondContact CE-O 3.28Å; M118-A162 HydrophobicContact SD-CB 3.82Å; M118-T165 HydrophobicContact CE-CG2 3.92Å; M118-L166 HydrophobicContact CB-CD1 4.45Å; M118-L166 HydrophobicContact CE-CB 3.88Å
119L98.8Very high96.8Very high0 Ų060.3 Ų60.30%030%0.299CS..EExtended strand (participates in β ladder)trans-96.8132.1172.8-177.466.5000110.5L87 Y89 I100 I140 A141 I146 R147 F148 F149L87-L119 HydrophobicContact CB-CD1 4.34Å; L87-L119 HydrophobicContact CD2-CD1 4.21Å; L87-L119 HydrophobicContact CG-CD1 3.98Å; L87-L119 CarbonylContact O-C 3.51Å; L87-L119 WeakPolarHBondContact O-CA 3.44Å; Y89-L119 HydrophobicContact CD1-CD1 3.85Å; Y89-L119 HydrophobicContact CD1-CG 4.28Å; Y89-L119 HydrophobicContact CE1-CD1 4.1Å; Y89-L119 HydrophobicContact CE1-CD2 4.16Å; Y89-L119 HydrophobicContact CE1-CG 4.02Å; I100-L119 HydrophobicContact CD1-CD1 3.62Å; I100-L119 HydrophobicContact CG1-CD1 4.28Å; I100-L119 HydrophobicContact CG2-CD1 4.22Å; L119-I140 HydrophobicContact CD2-CG2 3.39Å; L119-A141 HydrophobicContact CD2-CB 4.4Å; L119-I146 HydrophobicContact CB-CD1 3.91Å; L119-R147 PolarHBondContact N-O 2.99Å; L119-F148 HydrophobicContact CB-CD2 4.1Å; L119-F148 HydrophobicContact CD2-CD2 3.89Å; L119-F148 HydrophobicContact CD2-CE2 4.34Å; L119-F148 HydrophobicContact CG-CD2 3.91Å; L119-F148 HydrophobicContact CG-CE2 4.39Å; L119-F148 VanDerWaalsContact O-CA 3.32Å; L119-F148 WeakPolarHBondContact O-CA 3.39Å; L119-F148 WeakPolarHBondContact O-CD2 3.36Å; L119-F149 PolarHBondContact O-N 3.02Å
120L98.9Very high97Very high1 Ų157 Ų571%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-118.7120.9175.5-56.8-173.9000111V25 M86 L87 V88 Y89 M118 F149 T151 A162V25-L120 HydrophobicContact CG1-CD1 4.43Å; M86-L120 HydrophobicContact CB-CD1 4.3Å; M86-L120 HydrophobicContact CE-CD1 3.79Å; M86-L120 HydrophobicContact CE-CD2 4.28Å; M86-L120 HydrophobicContact CE-CG 4.39Å; M86-L120 HydrophobicContact SD-CD1 4.4Å; L87-L120 PolarHBondContact O-N 2.85Å; V88-L120 WeakPolarHBondContact CA-O 3.46Å; V88-L120 HydrophobicContact CG1-CB 4.3Å; V88-L120 HydrophobicContact CG2-CB 4.28Å; V88-L120 HydrophobicContact CG2-CD1 4.15Å; Y89-L120 VanDerWaalsContact CD1-O 3.28Å; Y89-L120 WeakPolarHBondContact CD1-O 3.29Å; Y89-L120 PolarHBondContact N-O 2.94Å; M118-L120 HydrophobicContact CG-CD2 3.92Å; M118-L120 HydrophobicContact SD-CD2 3.83Å; L120-F149 CarbonylContact C-O 3.56Å; L120-F149 VanDerWaalsContact CA-O 3.29Å; L120-F149 WeakPolarHBondContact CA-O 3.28Å; L120-F149 HydrophobicContact CD2-CB 3.95Å; L120-T151 HydrophobicContact CD1-CG2 4.39Å; L120-T151 HydrophobicContact CD2-CG2 3.99Å; L120-A162 HydrophobicContact CD2-CB 3.84Å
121G98.8Very high97.3Very high0 Ų057.9 Ų57.90%029%0.291CS..EExtended strand (participates in β ladder)trans-89.194.8163.700000109.9Y89 F149 E150 T151Y89-G121 VanDerWaalsContact CE1-CA 3.42Å; G121-F149 PolarHBondContact N-O 3.34Å; G121-E150 CarbonylContact O-C 3.57Å; G121-E150 VanDerWaalsContact O-CA 3.22Å; G121-E150 WeakPolarHBondContact O-CA 3.49Å; G121-T151 PolarHBondContact O-N 2.94Å
122N98.8Very high97.5Very high3 Ų357.2 Ų57.22%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-85.1163.5-175.3-171.335.7000112.6V20 V88 Y89 I91 T151 A153V20-N122 PolarHBondContact O-ND2 3.31Å; V88-N122 HydrophobicContact CG1-CB 3.76Å; Y89-N122 PolarHBondContact O-N 3.21Å; I91-N122 WeakPolarHBondContact CG1-O 3.32Å; I91-N122 PolarHBondContact N-O 3.32Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 VanDerWaalsContact CA-O 3.27Å; N122-T151 WeakPolarHBondContact CA-O 3.32Å; N122-T151 WeakPolarHBondContact CA-OG1 3.46Å; N122-T151 PolarHBondContact OD1-O 3.39Å; N122-T151 PolarHBondContact OD1-OG1 3.26Å; N122-A153 PolarHBondContact OD1-N 2.91Å
123K98.3Very high97.7Very high51 Ų5157 Ų5722%0.22229%0.287CS..  trans68.933.9-177.6-46.5-172.2-166.2167.30113.5G19 D90 I91 D125 M126 T151G19-K123 PolarHBondContact O-NZ 3.18Å; D90-K123 WeakPolarHBondContact OD2-CD 3.49Å; D90-K123 VanDerWaalsContact OD2-CE 3.26Å; D90-K123 WeakPolarHBondContact OD2-CE 3.47Å; D90-K123 IonicContact OD2-NZ 3.14Å; D90-K123 PolarHBondContact OD2-NZ 3.27Å; I91-K123 WeakPolarHBondContact CD1-O 3.45Å; I91-K123 HydrophobicContact CG1-CB 4.5Å; I91-K123 WeakPolarHBondContact CG1-O 3.42Å; K123-D125 WeakPolarHBondContact CA-OD1 3.48Å; K123-D125 PolarHBondContact O-N 2.93Å; K123-D125 VanDerWaalsContact O-N 3.07Å; K123-M126 HydrophobicContact CB-CG 4.42Å; K123-M126 HydrophobicContact CB-SD 4.23Å; K123-M126 HydrophobicContact CD-SD 4.17Å; K123-M126 WeakPolarHBondContact O-CB 3.36Å; K123-M126 PolarHBondContact O-N 3.39Å; K123-T151 PolarHBondContact N-O 2.53Å
124C98.6Very high98Very high20 Ų2052.2 Ų52.214%0.13526%0.263CS..THydrogen-bonded Turntrans-64.5-9.6177.569.60000114.6M126 E150 T151C124-M126 PolarHBondContact O-N 2.97Å; C124-E150 HydrophobicContact CB-CB 3.97Å; C124-T151 PolarHBondContact N-O 3.45Å; C124-T151 PolarHBondContact SG-O 3.29Å
125D98.3Very high98.3Very high54 Ų5449 Ų4929%0.28926%0.255SS..THydrogen-bonded Turntrans-69.6-14.1167.262.3-74.1000113.5K123 S152 K154 A155K123-D125 WeakPolarHBondContact CA-OD1 3.48Å; K123-D125 PolarHBondContact O-N 2.93Å; K123-D125 VanDerWaalsContact O-N 3.07Å; D125-S152 WeakPolarHBondContact CB-OG 3.47Å; D125-S152 VanDerWaalsContact OD1-CB 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.42Å; D125-S152 PolarHBondContact OD1-OG 3.03Å; D125-K154 WeakPolarHBondContact OD2-CD 3.47Å; D125-K154 IonicContact OD2-NZ 2.67Å; D125-A155 HydrophobicContact CB-CB 4Å
126M97.8Very high98.4Very high58 Ų5854 Ų5429%0.28628%0.276SS..  trans-100.642.3-179.9-59.2-176.360.900111.9T92 K123 C124 D128 K129 R130T92-M126 HydrophobicContact CG2-CB 3.71Å; T92-M126 HydrophobicContact CG2-CE 4.31Å; T92-M126 HydrophobicContact CG2-SD 4.47Å; K123-M126 HydrophobicContact CB-CG 4.42Å; K123-M126 HydrophobicContact CB-SD 4.23Å; K123-M126 HydrophobicContact CD-SD 4.17Å; K123-M126 WeakPolarHBondContact O-CB 3.36Å; K123-M126 PolarHBondContact O-N 3.39Å; C124-M126 PolarHBondContact O-N 2.97Å; M126-D128 VanDerWaalsContact C-N 3.27Å; M126-D128 PolarHBondContact O-N 2.86Å; M126-K129 HydrophobicContact CE-CD 3.73Å; M126-K129 CarbonylContact O-C 3.57Å; M126-K129 PolarHBondContact O-N 3.02Å; M126-R130 PolarHBondContact O-N 2.89Å
127D97.7Very high98.4Very high92 Ų9252.4 Ų52.449%0.49227%0.269SS..G310 helixtrans-59.3-35.7-173.2-155.464.9000113K129 R130D127-K129 PolarHBondContact O-N 2.94Å; D127-R130 WeakPolarHBondContact O-CB 3.49Å; D127-R130 PolarHBondContact O-N 3.31Å; D127-R130 IonicContact OD1-CZ 2.94Å; D127-R130 VanDerWaalsContact OD1-CZ 3.27Å; D127-R130 IonicContact OD1-NE 3.4Å; D127-R130 PolarHBondContact OD1-NE 2.87Å; D127-R130 IonicContact OD1-NH2 3.77Å; D127-R130 PolarHBondContact OD1-NH2 2.94Å
128D98.2Very high98.4Very high174 Ų17453.6 Ų53.693%0.9328%0.276SS*.G310 helixtrans-59.6-19.5174.3-62.1-34.3000113.8M126M126-D128 VanDerWaalsContact C-N 3.27Å; M126-D128 PolarHBondContact O-N 2.86Å
129K98.3Very high98.4Very high138 Ų13858.1 Ų58.160%0.630%0.297SS*.G310 helixtrans-111.511.1178.6-57.2-170.5-172.7-179.80112.4T92 M126 D127 V131T92-K129 WeakPolarHBondContact CB-O 3.21Å; T92-K129 HydrophobicContact CG2-CB 3.92Å; M126-K129 HydrophobicContact CE-CD 3.73Å; M126-K129 CarbonylContact O-C 3.57Å; M126-K129 PolarHBondContact O-N 3.02Å; D127-K129 PolarHBondContact O-N 2.94Å; K129-V131 PolarHBondContact O-N 3.4Å
130R98.7Very high98.4Very high61 Ų6159.2 Ų59.223%0.2330%0.303CS..  trans-61.9128.1-179179.3-179.8-67.8-88.29.3110.5I91 M126 D127 V132 E150I91-R130 HydrophobicContact CD1-CB 4.14Å; I91-R130 HydrophobicContact CD1-CG 4.25Å; I91-R130 VanDerWaalsContact CD1-CZ 3.47Å; M126-R130 PolarHBondContact O-N 2.89Å; D127-R130 WeakPolarHBondContact O-CB 3.49Å; D127-R130 PolarHBondContact O-N 3.31Å; D127-R130 IonicContact OD1-CZ 2.94Å; D127-R130 VanDerWaalsContact OD1-CZ 3.27Å; D127-R130 IonicContact OD1-NE 3.4Å; D127-R130 PolarHBondContact OD1-NE 2.87Å; D127-R130 IonicContact OD1-NH2 3.77Å; D127-R130 PolarHBondContact OD1-NH2 2.94Å; R130-V132 WeakPolarHBondContact CD-O 3.19Å; R130-V132 VanDerWaalsContact CG-O 3.23Å; R130-V132 WeakPolarHBondContact CG-O 3.42Å; R130-V132 PolarHBondContact NH1-O 3.27Å; R130-E150 IonicContact CZ-OE1 3.27Å; R130-E150 IonicContact CZ-OE2 3.75Å; R130-E150 IonicContact NH1-OE1 3.62Å; R130-E150 PolarHBondContact NH1-OE1 2.84Å; R130-E150 IonicContact NH1-OE2 3.02Å; R130-E150 IonicContact NH2-OE1 3.79Å; R130-E150 PolarHBondContact NH2-OE1 2.77Å; R130-E150 IonicContact NH2-OE2 2.72Å; R130-E150 PolarHBondContact NH2-OE2 3.06Å
131V98.6Very high98.3Very high85 Ų8559.3 Ų59.352%0.51530%0.304SS..  trans-116.5-16.8171-540000112.1I91 T92 G94 K129 P133I91-V131 PolarHBondContact O-N 3.19Å; T92-V131 VanDerWaalsContact C-CG2 3.4Å; T92-V131 WeakPolarHBondContact O-CG2 3.46Å; G94-V131 VanDerWaalsContact N-CG2 3.31Å; K129-V131 PolarHBondContact O-N 3.4Å; V131-P133 WeakPolarHBondContact O-CD 3.26Å
132V98.5Very high98.3Very high4 Ų467.3 Ų67.32%0.02433%0.334CS..SBendtrans-106.7107.8174.8-172.60000109.1Y89 I91 F97 R130 K136Y89-V132 HydrophobicContact CD2-CG1 4.47Å; Y89-V132 HydrophobicContact CE2-CB 4.02Å; Y89-V132 HydrophobicContact CE2-CG1 3.71Å; Y89-V132 HydrophobicContact CE2-CG2 4.38Å; I91-V132 PolarHBondContact O-N 3.42Å; F97-V132 HydrophobicContact CB-CG1 4.11Å; F97-V132 HydrophobicContact CB-CG2 3.73Å; F97-V132 HydrophobicContact CD1-CG1 4.05Å; F97-V132 HydrophobicContact CD2-CG1 3.72Å; F97-V132 HydrophobicContact CE1-CG1 4.45Å; F97-V132 HydrophobicContact CE2-CG1 4.15Å; F97-V132 HydrophobicContact CG-CG1 3.67Å; F97-V132 HydrophobicContact CG-CG2 4.2Å; R130-V132 WeakPolarHBondContact CD-O 3.19Å; R130-V132 VanDerWaalsContact CG-O 3.23Å; R130-V132 WeakPolarHBondContact CG-O 3.42Å; R130-V132 PolarHBondContact NH1-O 3.27Å; V132-K136 HydrophobicContact CG1-CB 4.35Å
133P98.4Very high98.2Very high67 Ų6773 Ų7344%0.43536%0.36SS..  trans-60139.2173.6-23.133.6000111V131 G135 K136V131-P133 WeakPolarHBondContact O-CD 3.26Å; P133-G135 PolarHBondContact O-N 2.81Å; P133-G135 VanDerWaalsContact O-N 3.15Å; P133-K136 WeakPolarHBondContact O-CB 3.46Å; P133-K136 PolarHBondContact O-N 3.25Å
134K98.6Very high98.1Very high98 Ų9874.5 Ų74.543%0.42637%0.368SS..Hα-helixtrans-51.1-40.8177.6-175.3177.4179.1-165.50112.7K136 G137 E138 F148 E150K134-K136 PolarHBondContact O-N 3.36Å; K134-G137 WeakPolarHBondContact O-CA 3.49Å; K134-G137 PolarHBondContact O-N 2.91Å; K134-E138 WeakPolarHBondContact CE-OE1 3.22Å; K134-E138 HydrophobicContact CG-CG 4.33Å; K134-E138 IonicContact NZ-OE1 2.73Å; K134-E138 PolarHBondContact O-N 3.49Å; K134-F148 HydrophobicContact CG-CE1 3.9Å; K134-F148 HydrophobicContact CG-CZ 4.31Å; K134-E150 WeakPolarHBondContact CA-OE1 3.4Å; K134-E150 VanDerWaalsContact CB-OE1 3.28Å; K134-E150 WeakPolarHBondContact CB-OE1 3.49Å; K134-E150 HydrophobicContact CD-CG 4.25Å; K134-E150 HydrophobicContact CG-CG 4.02Å; K134-E150 WeakPolarHBondContact CG-OE1 3.26Å
135G98.5Very high98Very high36 Ų3677 Ų7737%0.37140%0.398SS..Hα-helixtrans-58.4-27.8178.700000114.5P133 Q139P133-G135 PolarHBondContact O-N 2.81Å; P133-G135 VanDerWaalsContact O-N 3.15Å; G135-Q139 VanDerWaalsContact O-CB 3.24Å; G135-Q139 WeakPolarHBondContact O-CB 3.37Å; G135-Q139 PolarHBondContact O-N 2.99Å
136K98.2Very high97.9Very high113 Ų11375.5 Ų75.549%0.49139%0.389SS..Hα-helixtrans-69.2-42.3173.3-71.2-164175.4-177.30111.7F97 V132 P133 K134 Q139 I140F97-K136 HydrophobicContact CE1-CB 3.91Å; F97-K136 HydrophobicContact CE1-CD 4.07Å; F97-K136 HydrophobicContact CE2-CB 4.41Å; F97-K136 HydrophobicContact CZ-CB 3.66Å; V132-K136 HydrophobicContact CG1-CB 4.35Å; P133-K136 WeakPolarHBondContact O-CB 3.46Å; P133-K136 PolarHBondContact O-N 3.25Å; K134-K136 PolarHBondContact O-N 3.36Å; K136-Q139 PolarHBondContact O-N 3.16Å; K136-I140 WeakPolarHBondContact O-CG2 3.42Å; K136-I140 PolarHBondContact O-N 3.05Å
137G98.4Very high97.9Very high0 Ų078.6 Ų78.60%040%0.398CS..Hα-helixtrans-63.2-42.6174.200000112.1K134 I140 A141K134-G137 WeakPolarHBondContact O-CA 3.49Å; K134-G137 PolarHBondContact O-N 2.91Å; G137-I140 WeakPolarHBondContact O-CG2 3.29Å; G137-A141 VanDerWaalsContact O-CB 3.26Å; G137-A141 WeakPolarHBondContact O-CB 3.45Å; G137-A141 PolarHBondContact O-N 3.02Å; G137-A141 VanDerWaalsContact O-N 3.13Å
138E98.5Very high98Very high70 Ų7075.9 Ų75.933%0.32738%0.381SS..Hα-helixtrans-64.9-39.7175.1-65.6173.3165.100112.2K134 R142 F148K134-E138 WeakPolarHBondContact CE-OE1 3.22Å; K134-E138 HydrophobicContact CG-CG 4.33Å; K134-E138 IonicContact NZ-OE1 2.73Å; K134-E138 PolarHBondContact O-N 3.49Å; E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-N 2.84Å; E138-F148 HydrophobicContact CB-CD1 4.37Å; E138-F148 HydrophobicContact CG-CD1 3.52Å; E138-F148 HydrophobicContact CG-CE1 3.56Å
139Q98.4Very high98Very high95 Ų9569.1 Ų69.144%0.44434%0.344SS..Hα-helixtrans-62.5-55178.3176.6178.8-0.100111.6G135 K136 A141 R142 E143G135-Q139 VanDerWaalsContact O-CB 3.24Å; G135-Q139 WeakPolarHBondContact O-CB 3.37Å; G135-Q139 PolarHBondContact O-N 2.99Å; K136-Q139 PolarHBondContact O-N 3.16Å; Q139-A141 PolarHBondContact O-N 3.25Å; Q139-R142 PolarHBondContact O-N 3.3Å; Q139-R142 VanDerWaalsContact O-N 3.12Å; Q139-E143 HydrophobicContact CG-CG 4.46Å; Q139-E143 VanDerWaalsContact CG-OE1 3.22Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.26Å; Q139-E143 PolarHBondContact NE2-OE1 3.47Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.75Å
140I97.6Very high98Very high24 Ų2463.5 Ų63.512%0.12332%0.32CS..Hα-helixtrans-63.2-33-178.1-167.5164.8000111.5F97 I100 L104 L119 K136 G137 E143 H144F97-I140 HydrophobicContact CE2-CG2 4.03Å; F97-I140 HydrophobicContact CZ-CG2 4.09Å; I100-I140 HydrophobicContact CB-CD1 4.28Å; I100-I140 HydrophobicContact CG2-CD1 3.55Å; I100-I140 HydrophobicContact CG2-CG1 4.46Å; L104-I140 HydrophobicContact CD1-CD1 4.37Å; L104-I140 HydrophobicContact CD1-CG1 4.48Å; L119-I140 HydrophobicContact CD2-CG2 3.39Å; K136-I140 WeakPolarHBondContact O-CG2 3.42Å; K136-I140 PolarHBondContact O-N 3.05Å; G137-I140 WeakPolarHBondContact O-CG2 3.29Å; I140-E143 PolarHBondContact O-N 3.31Å; I140-H144 PolarHBondContact O-N 3.13Å; I140-H144 VanDerWaalsContact O-N 3.13Å; I140-H144 PolarHBondContact O-ND1 2.9Å
141A98.1Very high98Very high3 Ų360.6 Ų60.63%0.02531%0.309CS..Hα-helixtrans-66.1-42.5175.600000112.3L119 G137 Q139 H144 G145 I146 F148L119-A141 HydrophobicContact CD2-CB 4.4Å; G137-A141 VanDerWaalsContact O-CB 3.26Å; G137-A141 WeakPolarHBondContact O-CB 3.45Å; G137-A141 PolarHBondContact O-N 3.02Å; G137-A141 VanDerWaalsContact O-N 3.13Å; Q139-A141 PolarHBondContact O-N 3.25Å; A141-H144 PolarHBondContact O-N 3.3Å; A141-G145 PolarHBondContact O-N 2.91Å; A141-I146 HydrophobicContact CB-CG1 4.01Å; A141-I146 PolarHBondContact O-N 3.41Å; A141-F148 HydrophobicContact CB-CB 3.58Å; A141-F148 HydrophobicContact CB-CG 4.39Å
142R98Very high98Very high168 Ų16856.5 Ų56.563%0.63428%0.284SS*.Hα-helixtrans-62.5-44.7172.9-74.3-171.6-58-921.1112E138 Q139 H144 G145E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-N 2.84Å; Q139-R142 PolarHBondContact O-N 3.3Å; Q139-R142 VanDerWaalsContact O-N 3.12Å; R142-H144 PolarHBondContact O-N 3.3Å; R142-G145 PolarHBondContact O-N 3.33Å; R142-G145 VanDerWaalsContact O-N 3.16Å
143E97.3Very high98Very high122 Ų12256.4 Ų56.457%0.5728%0.284SS*.Hα-helixtrans-59.7-34.2180-73169-177.300112.5Q139 I140Q139-E143 HydrophobicContact CG-CG 4.46Å; Q139-E143 VanDerWaalsContact CG-OE1 3.22Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.26Å; Q139-E143 PolarHBondContact NE2-OE1 3.47Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.75Å; I140-E143 PolarHBondContact O-N 3.31Å
144H95.6Very high97.9Very high83 Ų8359.3 Ų59.338%0.38429%0.289SS..THydrogen-bonded Turntrans-99.12179.4-63.279000113.6I140 A141 R142 I146I140-H144 PolarHBondContact O-N 3.13Å; I140-H144 VanDerWaalsContact O-N 3.13Å; I140-H144 PolarHBondContact O-ND1 2.9Å; A141-H144 PolarHBondContact O-N 3.3Å; R142-H144 PolarHBondContact O-N 3.3Å; H144-I146 VanDerWaalsContact C-N 3.29Å; H144-I146 HydrophobicContact CB-CD1 4.38Å; H144-I146 HydrophobicContact CB-CG1 4.27Å; H144-I146 HydrophobicContact CB-CG2 4.25Å; H144-I146 WeakPolarHBondContact O-CG2 3.22Å; H144-I146 PolarHBondContact O-N 3.03Å
145G95.9Very high97.9Very high73 Ų7357.2 Ų57.275%0.75329%0.29SS*.THydrogen-bonded Turntrans63.729.5-178.900000114.5A141 R142A141-G145 PolarHBondContact O-N 2.91Å; R142-G145 PolarHBondContact O-N 3.33Å; R142-G145 VanDerWaalsContact O-N 3.16Å
146I97.1Very high97.9Very high22 Ų2259.3 Ų59.311%0.11329%0.293CS..  trans-109.6157-176.665.1177000111.8L104 R117 L119 A141 H144L104-I146 HydrophobicContact CD2-CD1 4.16Å; R117-I146 HydrophobicContact CB-CB 4.18Å; R117-I146 HydrophobicContact CB-CG2 3.52Å; R117-I146 HydrophobicContact CG-CG2 4.44Å; L119-I146 HydrophobicContact CB-CD1 3.91Å; A141-I146 HydrophobicContact CB-CG1 4.01Å; A141-I146 PolarHBondContact O-N 3.41Å; H144-I146 VanDerWaalsContact C-N 3.29Å; H144-I146 HydrophobicContact CB-CD1 4.38Å; H144-I146 HydrophobicContact CB-CG1 4.27Å; H144-I146 HydrophobicContact CB-CG2 4.25Å; H144-I146 WeakPolarHBondContact O-CG2 3.22Å; H144-I146 PolarHBondContact O-N 3.03Å
147R97.5Very high97.9Very high123 Ų12357 Ų5746%0.46429%0.286SS..EExtended strand (participates in β ladder)trans-69.3151.4175.1-62.4-65.2-167.6-175.40.1110.9R117 M118 L119 D169R117-R147 PolarHBondContact O-N 3.47Å; M118-R147 HydrophobicContact CB-CB 4.35Å; M118-R147 HydrophobicContact CE-CB 3.79Å; M118-R147 HydrophobicContact CE-CG 4.21Å; M118-R147 HydrophobicContact CG-CB 4.02Å; L119-R147 PolarHBondContact N-O 2.99Å; R147-D169 IonicContact CZ-OD2 3.38Å; R147-D169 IonicContact NE-OD2 3.7Å; R147-D169 PolarHBondContact NE-OD2 2.95Å; R147-D169 IonicContact NH2-OD1 3.42Å; R147-D169 PolarHBondContact NH2-OD1 3.42Å; R147-D169 IonicContact NH2-OD2 2.68Å
148F98.6Very high97.9Very high34 Ų3459.9 Ų59.915%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-133.5135.5174.5173.6-108.6000112.5Y89 L119 K134 E138 A141 E150Y89-F148 HydrophobicContact CE1-CE2 4.06Å; Y89-F148 WeakPolarHBondContact OH-CE2 3.48Å; L119-F148 HydrophobicContact CB-CD2 4.1Å; L119-F148 HydrophobicContact CD2-CD2 3.89Å; L119-F148 HydrophobicContact CD2-CE2 4.34Å; L119-F148 HydrophobicContact CG-CD2 3.91Å; L119-F148 HydrophobicContact CG-CE2 4.39Å; L119-F148 VanDerWaalsContact O-CA 3.32Å; L119-F148 WeakPolarHBondContact O-CA 3.39Å; L119-F148 WeakPolarHBondContact O-CD2 3.36Å; K134-F148 HydrophobicContact CG-CE1 3.9Å; K134-F148 HydrophobicContact CG-CZ 4.31Å; E138-F148 HydrophobicContact CB-CD1 4.37Å; E138-F148 HydrophobicContact CG-CD1 3.52Å; E138-F148 HydrophobicContact CG-CE1 3.56Å; A141-F148 HydrophobicContact CB-CB 3.58Å; A141-F148 HydrophobicContact CB-CG 4.39Å; F148-E150 HydrophobicContact CE1-CG 4Å; F148-E150 HydrophobicContact CZ-CG 3.59Å
149F98.7Very high97.9Very high32 Ų3256.6 Ų56.614%0.1429%0.286CS..EExtended strand (participates in β ladder)trans-135.5141.5166.8-68.8-76000110.7M118 L119 L120 G121 T151 K161 A162 T165M118-F149 HydrophobicContact CE-CD2 4.04Å; M118-F149 HydrophobicContact CE-CE2 3.73Å; M118-F149 HydrophobicContact CG-CD2 4.44Å; M118-F149 HydrophobicContact SD-CD2 3.67Å; M118-F149 HydrophobicContact SD-CE2 4.01Å; L119-F149 PolarHBondContact O-N 3.02Å; L120-F149 CarbonylContact C-O 3.56Å; L120-F149 VanDerWaalsContact CA-O 3.29Å; L120-F149 WeakPolarHBondContact CA-O 3.28Å; L120-F149 HydrophobicContact CD2-CB 3.95Å; G121-F149 PolarHBondContact N-O 3.34Å; F149-T151 HydrophobicContact CB-CG2 4.2Å; F149-K161 HydrophobicContact CD1-CD 4.5Å; F149-K161 HydrophobicContact CE1-CD 3.83Å; F149-K161 HydrophobicContact CE1-CG 4.14Å; F149-K161 HydrophobicContact CZ-CD 4.33Å; F149-K161 HydrophobicContact CZ-CG 4.18Å; F149-A162 HydrophobicContact CD2-CB 4.04Å; F149-T165 HydrophobicContact CE2-CG2 4.13Å; F149-T165 HydrophobicContact CZ-CG2 4.32Å
150E98.8Very high97.9Very high20 Ų2057.4 Ų57.49%0.09329%0.289CS..EExtended strand (participates in β ladder)trans-83136155.4-67.9-159.6154.500109.5G121 C124 R130 K134 F148 N158G121-E150 CarbonylContact O-C 3.57Å; G121-E150 VanDerWaalsContact O-CA 3.22Å; G121-E150 WeakPolarHBondContact O-CA 3.49Å; C124-E150 HydrophobicContact CB-CB 3.97Å; R130-E150 IonicContact CZ-OE1 3.27Å; R130-E150 IonicContact CZ-OE2 3.75Å; R130-E150 IonicContact NH1-OE1 3.62Å; R130-E150 PolarHBondContact NH1-OE1 2.84Å; R130-E150 IonicContact NH1-OE2 3.02Å; R130-E150 IonicContact NH2-OE1 3.79Å; R130-E150 PolarHBondContact NH2-OE1 2.77Å; R130-E150 IonicContact NH2-OE2 2.72Å; R130-E150 PolarHBondContact NH2-OE2 3.06Å; K134-E150 WeakPolarHBondContact CA-OE1 3.4Å; K134-E150 VanDerWaalsContact CB-OE1 3.28Å; K134-E150 WeakPolarHBondContact CB-OE1 3.49Å; K134-E150 HydrophobicContact CD-CG 4.25Å; K134-E150 HydrophobicContact CG-CG 4.02Å; K134-E150 WeakPolarHBondContact CG-OE1 3.26Å; F148-E150 HydrophobicContact CE1-CG 4Å; F148-E150 HydrophobicContact CZ-CG 3.59Å; E150-N158 WeakPolarHBondContact O-CB 3.38Å; E150-N158 PolarHBondContact O-ND2 2.97Å
151T98.8Very high98Very high0 Ų061.8 Ų61.80%031%0.307CS..EExtended strand (participates in β ladder)trans-130155.8-175.654.20000111.2L120 G121 N122 K123 C124 F149 I157 N158 I159 A162L120-T151 HydrophobicContact CD1-CG2 4.39Å; L120-T151 HydrophobicContact CD2-CG2 3.99Å; G121-T151 PolarHBondContact O-N 2.94Å; N122-T151 CarbonylContact C-O 3.6Å; N122-T151 VanDerWaalsContact CA-O 3.27Å; N122-T151 WeakPolarHBondContact CA-O 3.32Å; N122-T151 WeakPolarHBondContact CA-OG1 3.46Å; N122-T151 PolarHBondContact OD1-O 3.39Å; N122-T151 PolarHBondContact OD1-OG1 3.26Å; K123-T151 PolarHBondContact N-O 2.53Å; C124-T151 PolarHBondContact N-O 3.45Å; C124-T151 PolarHBondContact SG-O 3.29Å; F149-T151 HydrophobicContact CB-CG2 4.2Å; T151-I157 VanDerWaalsContact CA-O 3.26Å; T151-I157 WeakPolarHBondContact CA-O 3.43Å; T151-N158 HydrophobicContact CG2-CB 4.02Å; T151-I159 HydrophobicContact CG2-CD1 4.36Å; T151-A162 HydrophobicContact CG2-CB 4.43Å
152S98.6Very high98Very high0 Ų061.6 Ų61.60%031%0.306CS..BIsolated β-bridgetrans-136.3111.5165.1174.20000108.8D125 K154 A155 N156 I157D125-S152 WeakPolarHBondContact CB-OG 3.47Å; D125-S152 VanDerWaalsContact OD1-CB 3.29Å; D125-S152 WeakPolarHBondContact OD1-CB 3.42Å; D125-S152 PolarHBondContact OD1-OG 3.03Å; S152-K154 PolarHBondContact O-N 2.81Å; S152-K154 PolarHBondContact OG-N 2.67Å; S152-A155 WeakPolarHBondContact OG-CB 3.4Å; S152-A155 PolarHBondContact OG-N 3.04Å; S152-N156 CarbonylContact O-C 3.58Å; S152-N156 VanDerWaalsContact O-CA 3.22Å; S152-N156 WeakPolarHBondContact O-CA 3.46Å; S152-N156 PolarHBondContact O-N 2.81Å; S152-I157 PolarHBondContact N-O 2.69Å; S152-I157 PolarHBondContact O-N 2.92Å
153A98Very high98Very high2 Ų253.6 Ų53.62%0.01728%0.276CS..THydrogen-bonded Turntrans-62.7-32.4171.100000111.9C24 V25 R28 F34 N122 I159C24-A153 HydrophobicContact CB-CB 3.67Å; V25-A153 HydrophobicContact CG2-CB 4.09Å; R28-A153 HydrophobicContact CB-CB 4.35Å; R28-A153 PolarHBondContact NE-O 2.84Å; F34-A153 HydrophobicContact CD2-CB 4.05Å; F34-A153 HydrophobicContact CE2-CB 4.1Å; N122-A153 PolarHBondContact OD1-N 2.91Å; A153-I159 HydrophobicContact CB-CD1 4.35Å
154K97.6Very high98.1Very high127 Ų12749.9 Ų49.955%0.55226%0.26SS*.THydrogen-bonded Turntrans-71-52.1-179.5-177.1177165.8-160.20111.6F34 D125 S152 N156F34-K154 HydrophobicContact CD1-CB 4.37Å; F34-K154 HydrophobicContact CD1-CG 4.19Å; F34-K154 HydrophobicContact CD2-CB 4.23Å; F34-K154 HydrophobicContact CE1-CB 3.97Å; F34-K154 HydrophobicContact CE1-CD 4.23Å; F34-K154 HydrophobicContact CE1-CG 3.81Å; F34-K154 HydrophobicContact CE2-CB 3.81Å; F34-K154 HydrophobicContact CG-CB 4.49Å; F34-K154 HydrophobicContact CZ-CB 3.67Å; F34-K154 HydrophobicContact CZ-CD 4.36Å; F34-K154 HydrophobicContact CZ-CG 4.01Å; D125-K154 WeakPolarHBondContact OD2-CD 3.47Å; D125-K154 IonicContact OD2-NZ 2.67Å; S152-K154 PolarHBondContact O-N 2.81Å; S152-K154 PolarHBondContact OG-N 2.67Å; K154-N156 VanDerWaalsContact C-N 3.33Å
155A97.8Very high98.2Very high54 Ų5447.3 Ų47.345%0.44625%0.25SC..THydrogen-bonded Turntrans-89.75.6-178.300000113.7D125 S152 I157D125-A155 HydrophobicContact CB-CB 4Å; S152-A155 WeakPolarHBondContact OG-CB 3.4Å; S152-A155 PolarHBondContact OG-N 3.04Å; A155-I157 VanDerWaalsContact C-N 3.29Å; A155-I157 HydrophobicContact CB-CD1 3.84Å; A155-I157 HydrophobicContact CB-CG1 3.93Å; A155-I157 PolarHBondContact O-N 3.33Å
156N98.1Very high98.3Very high80 Ų8043.9 Ų43.943%0.42821%0.214SC..THydrogen-bonded Turntrans53.140.7-176.3-16421.1000114.1R28 S152 K154R28-N156 WeakPolarHBondContact CD-OD1 3.46Å; R28-N156 HydrophobicContact CG-CB 4.45Å; R28-N156 WeakPolarHBondContact CG-OD1 3.44Å; S152-N156 CarbonylContact O-C 3.58Å; S152-N156 VanDerWaalsContact O-CA 3.22Å; S152-N156 WeakPolarHBondContact O-CA 3.46Å; S152-N156 PolarHBondContact O-N 2.81Å; K154-N156 VanDerWaalsContact C-N 3.33Å
157I98.7Very high98.4Very high66 Ų6642.9 Ų42.934%0.33821%0.209SC..BIsolated β-bridgetrans-90.6124.3-179.3-61.3171.5000109.3T151 S152 A155 I159T151-I157 VanDerWaalsContact CA-O 3.26Å; T151-I157 WeakPolarHBondContact CA-O 3.43Å; S152-I157 PolarHBondContact N-O 2.69Å; S152-I157 PolarHBondContact O-N 2.92Å; A155-I157 VanDerWaalsContact C-N 3.29Å; A155-I157 HydrophobicContact CB-CD1 3.84Å; A155-I157 HydrophobicContact CB-CG1 3.93Å; A155-I157 PolarHBondContact O-N 3.33Å; I157-I159 PolarHBondContact O-N 3.03Å
158N98.6Very high98.4Very high59 Ų5940.6 Ų40.632%0.31620%0.204SC..SBendtrans56.311.9175.4-66-40.3000116.1E150 T151 A162E150-N158 WeakPolarHBondContact O-CB 3.38Å; E150-N158 PolarHBondContact O-ND2 2.97Å; T151-N158 HydrophobicContact CG2-CB 4.02Å; N158-A162 VanDerWaalsContact O-CB 3.27Å; N158-A162 WeakPolarHBondContact O-CB 3.35Å; N158-A162 PolarHBondContact O-N 2.67Å
159I98.6Very high98.4Very high2 Ų239.3 Ų39.31%0.0120%0.198CC..Hα-helixtrans-64.6-60.5-176.3-61.2-66.7000110.7V25 R28 F29 T151 A153 I157 K161 A162 F163V25-I159 HydrophobicContact CB-CD1 4.42Å; V25-I159 HydrophobicContact CG1-CD1 4.16Å; V25-I159 HydrophobicContact CG2-CD1 4Å; R28-I159 HydrophobicContact CB-CG2 4.25Å; R28-I159 HydrophobicContact CG-CB 4.15Å; R28-I159 HydrophobicContact CG-CG1 3.87Å; R28-I159 HydrophobicContact CG-CG2 3.92Å; F29-I159 HydrophobicContact CB-CG2 3.73Å; T151-I159 HydrophobicContact CG2-CD1 4.36Å; A153-I159 HydrophobicContact CB-CD1 4.35Å; I157-I159 PolarHBondContact O-N 3.03Å; I159-K161 VanDerWaalsContact C-N 3.32Å; I159-K161 PolarHBondContact O-N 3.23Å; I159-A162 PolarHBondContact O-N 2.82Å; I159-F163 HydrophobicContact CG2-CD2 4.38Å; I159-F163 HydrophobicContact CG2-CE2 4.34Å; I159-F163 WeakPolarHBondContact O-CD2 3.44Å; I159-F163 PolarHBondContact O-N 3.13Å
160E98.1Very high98.3Very high111 Ų11138 Ų3852%0.51919%0.193SC..Hα-helixtrans-59.7-44.1178.1179168-137.200111.7F29 A162 F163 L164F29-E160 HydrophobicContact CE2-CG 4.39Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 3.08Å; E160-F163 PolarHBondContact O-N 3.27Å; E160-L164 HydrophobicContact CG-CD1 3.58Å; E160-L164 HydrophobicContact CG-CG 3.89Å; E160-L164 WeakPolarHBondContact O-CB 3.48Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.43Å
161K98.6Very high98.2Very high116 Ų11637.4 Ų37.450%0.50419%0.19SC..Hα-helixtrans-53.5-47.3177.6-172.9176.9-175.9177.60112F149 I159 L164 T165F149-K161 HydrophobicContact CD1-CD 4.5Å; F149-K161 HydrophobicContact CE1-CD 3.83Å; F149-K161 HydrophobicContact CE1-CG 4.14Å; F149-K161 HydrophobicContact CZ-CD 4.33Å; F149-K161 HydrophobicContact CZ-CG 4.18Å; I159-K161 VanDerWaalsContact C-N 3.32Å; I159-K161 PolarHBondContact O-N 3.23Å; K161-L164 PolarHBondContact O-N 3.22Å; K161-T165 VanDerWaalsContact O-CB 3.28Å; K161-T165 WeakPolarHBondContact O-CB 3.41Å; K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.03Å
162A98.8Very high98.1Very high0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-61.4-47-179.900000112.2M86 M118 L120 F149 T151 N158 I159 E160 L166M86-A162 HydrophobicContact CE-CB 3.59Å; M118-A162 WeakPolarHBondContact CE-O 3.28Å; M118-A162 HydrophobicContact SD-CB 3.82Å; L120-A162 HydrophobicContact CD2-CB 3.84Å; F149-A162 HydrophobicContact CD2-CB 4.04Å; T151-A162 HydrophobicContact CG2-CB 4.43Å; N158-A162 VanDerWaalsContact O-CB 3.27Å; N158-A162 WeakPolarHBondContact O-CB 3.35Å; N158-A162 PolarHBondContact O-N 2.67Å; I159-A162 PolarHBondContact O-N 2.82Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 3.08Å; A162-L166 WeakPolarHBondContact O-CB 3.23Å; A162-L166 PolarHBondContact O-N 3.29Å; A162-L166 VanDerWaalsContact O-N 3.07Å
163F98.6Very high97.8Very high0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-65.8-43.3178.4-80.3-81.3000112.7L12 L14 V25 F29 I62 M86 I159 E160 L166 A167L12-F163 HydrophobicContact CD1-CD1 4Å; L12-F163 HydrophobicContact CD1-CE1 4.45Å; L14-F163 HydrophobicContact CD2-CE1 4.3Å; L14-F163 HydrophobicContact CD2-CZ 4.13Å; V25-F163 HydrophobicContact CG1-CE2 3.68Å; V25-F163 HydrophobicContact CG1-CZ 4.05Å; F29-F163 HydrophobicContact CB-CD2 3.64Å; F29-F163 HydrophobicContact CB-CE2 3.49Å; F29-F163 VanDerWaalsContact CB-CE2 3.49Å; F29-F163 HydrophobicContact CB-CG 4.45Å; F29-F163 HydrophobicContact CB-CZ 4.21Å; F29-F163 HydrophobicContact CD1-CB 4.28Å; F29-F163 AromaticContact CD1-CD1 3.89Å; F29-F163 HydrophobicContact CD1-CD1 3.89Å; F29-F163 AromaticContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CD2 3.76Å; F29-F163 HydrophobicContact CD1-CE1 4.13Å; F29-F163 HydrophobicContact CD1-CE2 4.01Å; F29-F163 AromaticContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CG 3.71Å; F29-F163 HydrophobicContact CD1-CZ 4.18Å; F29-F163 HydrophobicContact CD2-CB 3.93Å; F29-F163 AromaticContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CD2 3.63Å; F29-F163 HydrophobicContact CD2-CE2 4.38Å; F29-F163 AromaticContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CD2-CG 3.91Å; F29-F163 HydrophobicContact CE1-CB 3.97Å; F29-F163 AromaticContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD1 3.94Å; F29-F163 HydrophobicContact CE1-CD2 4.32Å; F29-F163 AromaticContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE1-CG 3.82Å; F29-F163 HydrophobicContact CE2-CB 3.59Å; F29-F163 HydrophobicContact CE2-CD2 4.21Å; F29-F163 HydrophobicContact CE2-CG 4.02Å; F29-F163 HydrophobicContact CG-CB 4.25Å; F29-F163 HydrophobicContact CG-CD1 4.36Å; F29-F163 AromaticContact CG-CD2 3.37Å; F29-F163 HydrophobicContact CG-CD2 3.37Å; F29-F163 AromaticContact CG-CE2 3.7Å; F29-F163 HydrophobicContact CG-CE2 3.7Å; F29-F163 AromaticContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CG 3.75Å; F29-F163 HydrophobicContact CG-CZ 4.33Å; F29-F163 HydrophobicContact CZ-CB 3.61Å; F29-F163 HydrophobicContact CZ-CD1 4.46Å; F29-F163 AromaticContact CZ-CG 3.97Å; F29-F163 HydrophobicContact CZ-CG 3.97Å; I62-F163 HydrophobicContact CD1-CD1 4.04Å; I62-F163 HydrophobicContact CD1-CE1 3.73Å; I62-F163 HydrophobicContact CD1-CZ 4.49Å; I62-F163 HydrophobicContact CG1-CE1 4.38Å; I62-F163 HydrophobicContact CG2-CE1 4.02Å; M86-F163 HydrophobicContact CE-CD1 4.31Å; M86-F163 HydrophobicContact CE-CD2 4.34Å; M86-F163 HydrophobicContact CE-CE1 4.47Å; M86-F163 HydrophobicContact CE-CE2 4.5Å; M86-F163 HydrophobicContact CE-CG 4.24Å; M86-F163 HydrophobicContact SD-CD1 3.71Å; M86-F163 HydrophobicContact SD-CD2 4.42Å; M86-F163 HydrophobicContact SD-CE1 3.44Å; M86-F163 WeakPolarHBondContact SD-CE1 3.2Å; M86-F163 HydrophobicContact SD-CE2 4.2Å; M86-F163 HydrophobicContact SD-CG 4.2Å; M86-F163 HydrophobicContact SD-CZ 3.71Å; I159-F163 HydrophobicContact CG2-CD2 4.38Å; I159-F163 HydrophobicContact CG2-CE2 4.34Å; I159-F163 WeakPolarHBondContact O-CD2 3.44Å; I159-F163 PolarHBondContact O-N 3.13Å; E160-F163 PolarHBondContact O-N 3.27Å; F163-L166 PolarHBondContact O-N 3.03Å; F163-A167 WeakPolarHBondContact O-CB 3.5Å; F163-A167 PolarHBondContact O-N 3.12Å
164L98.4Very high97.4Very high44 Ų4451.2 Ų51.223%0.2325%0.248CC..Hα-helixtrans-69.3-39.9-179.7-64.6-174.3000112V51 L53 E160 K161 A167 E168V51-L164 HydrophobicContact CB-CD2 4.04Å; V51-L164 HydrophobicContact CG1-CD2 3.93Å; V51-L164 HydrophobicContact CG2-CD2 4.24Å; L53-L164 HydrophobicContact CD2-CD2 4.29Å; E160-L164 HydrophobicContact CG-CD1 3.58Å; E160-L164 HydrophobicContact CG-CG 3.89Å; E160-L164 WeakPolarHBondContact O-CB 3.48Å; E160-L164 WeakPolarHBondContact O-CG 3.43Å; E160-L164 PolarHBondContact O-N 3.43Å; K161-L164 PolarHBondContact O-N 3.22Å; L164-A167 PolarHBondContact O-N 3.13Å; L164-E168 WeakPolarHBondContact O-CB 3.43Å; L164-E168 PolarHBondContact O-N 3.35Å
165T98.5Very high96.6Very high28 Ų2850.6 Ų50.617%0.17226%0.257CS..Hα-helixtrans-61.9-43.8174.1-64.70000111.3M118 F149 K161 E168 D169M118-T165 HydrophobicContact CE-CG2 3.92Å; F149-T165 HydrophobicContact CE2-CG2 4.13Å; F149-T165 HydrophobicContact CZ-CG2 4.32Å; K161-T165 VanDerWaalsContact O-CB 3.28Å; K161-T165 WeakPolarHBondContact O-CB 3.41Å; K161-T165 PolarHBondContact O-N 3.36Å; K161-T165 PolarHBondContact O-OG1 3.03Å; T165-E168 PolarHBondContact O-N 3.31Å; T165-D169 PolarHBondContact O-N 3.28Å
166L98.6Very high95.2Very high2 Ų252.2 Ų52.21%0.0126%0.262CS..Hα-helixtrans-63-44.9176.2-177.961000111.5L12 M86 E116 M118 A162 F163 E168 D169 I170L12-L166 HydrophobicContact CD1-CD2 4.47Å; L12-L166 HydrophobicContact CD2-CD2 4.04Å; L12-L166 HydrophobicContact CD2-CG 4.37Å; M86-L166 HydrophobicContact CG-CD2 3.43Å; M86-L166 VanDerWaalsContact CG-CD2 3.43Å; M86-L166 HydrophobicContact SD-CD2 4.19Å; E116-L166 HydrophobicContact CB-CD1 3.55Å; M118-L166 HydrophobicContact CB-CD1 4.45Å; M118-L166 HydrophobicContact CE-CB 3.88Å; A162-L166 WeakPolarHBondContact O-CB 3.23Å; A162-L166 PolarHBondContact O-N 3.29Å; A162-L166 VanDerWaalsContact O-N 3.07Å; F163-L166 PolarHBondContact O-N 3.03Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.96Å; L166-D169 PolarHBondContact O-N 3.04Å; L166-I170 HydrophobicContact CG-CD1 4.18Å; L166-I170 VanDerWaalsContact O-CG1 3.28Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 2.91Å
167A98.3Very high93.4Very high0 Ų057.8 Ų57.80%028%0.282CS..Hα-helixtrans-63.2-36.5177.600000112.3F10 L53 L60 F163 L164 I170 L171F10-A167 HydrophobicContact CD2-CB 4.31Å; F10-A167 WeakPolarHBondContact CE2-O 3.44Å; L53-A167 HydrophobicContact CD1-CB 3.57Å; L60-A167 HydrophobicContact CD2-CB 4.07Å; F163-A167 WeakPolarHBondContact O-CB 3.5Å; F163-A167 PolarHBondContact O-N 3.12Å; L164-A167 PolarHBondContact O-N 3.13Å; A167-I170 PolarHBondContact O-N 3.34Å; A167-L171 WeakPolarHBondContact O-CB 3.24Å; A167-L171 PolarHBondContact O-N 3.17Å
168E97.9Very high91.2Very high76 Ų7662 Ų6236%0.35530%0.3SS..Hα-helixtrans-67.5-41.9175.3-176.5172.6-146.800112.5L164 T165 L166 I170 L171 R172L164-E168 WeakPolarHBondContact O-CB 3.43Å; L164-E168 PolarHBondContact O-N 3.35Å; T165-E168 PolarHBondContact O-N 3.31Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.96Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.41Å; E168-L171 PolarHBondContact O-N 3.07Å; E168-R172 PolarHBondContact O-N 3.38Å
169D97.5Very high88.9Confident6 Ų664.7 Ų64.73%0.03232%0.321CS..Hα-helixtrans-62.2-41.1176.1-75.2-24000110.6E116 R147 T165 L166 R172 K173E116-D169 HydrophobicContact CG-CB 4.14Å; R147-D169 IonicContact CZ-OD2 3.38Å; R147-D169 IonicContact NE-OD2 3.7Å; R147-D169 PolarHBondContact NE-OD2 2.95Å; R147-D169 IonicContact NH2-OD1 3.42Å; R147-D169 PolarHBondContact NH2-OD1 3.42Å; R147-D169 IonicContact NH2-OD2 2.68Å; T165-D169 PolarHBondContact O-N 3.28Å; L166-D169 PolarHBondContact O-N 3.04Å; D169-R172 PolarHBondContact O-N 3.06Å; D169-R172 IonicContact OD1-CZ 3.78Å; D169-R172 VanDerWaalsContact OD1-CZ 3.29Å; D169-R172 IonicContact OD1-NH1 2.76Å; D169-R172 PolarHBondContact OD1-NH1 3.35Å; D169-R172 IonicContact OD1-NH2 3.68Å; D169-R172 PolarHBondContact OD1-NH2 3.07Å; D169-K173 PolarHBondContact O-N 2.9Å
170I97.8Very high86.4Confident5 Ų570.5 Ų70.53%0.02635%0.352CS..Hα-helixtrans-63.8-44.1172.9-64.2166.2000111.7F10 L12 M83 E116 L166 A167 E168 R172 K173 T174F10-I170 HydrophobicContact CD1-CG2 3.9Å; F10-I170 HydrophobicContact CD2-CB 4.14Å; F10-I170 HydrophobicContact CD2-CD1 4.4Å; F10-I170 HydrophobicContact CD2-CG2 3.81Å; F10-I170 HydrophobicContact CE1-CG2 3.84Å; F10-I170 HydrophobicContact CE2-CB 4Å; F10-I170 HydrophobicContact CE2-CG2 3.74Å; F10-I170 HydrophobicContact CG-CG2 3.91Å; F10-I170 HydrophobicContact CZ-CB 4.4Å; F10-I170 HydrophobicContact CZ-CG2 3.77Å; L12-I170 HydrophobicContact CD2-CD1 3.42Å; L12-I170 VanDerWaalsContact CD2-CD1 3.42Å; M83-I170 HydrophobicContact CB-CD1 4.12Å; M83-I170 HydrophobicContact CB-CG1 4.48Å; M83-I170 HydrophobicContact CB-CG2 3.96Å; M83-I170 HydrophobicContact CE-CG2 3.61Å; E116-I170 HydrophobicContact CB-CG1 3.79Å; E116-I170 HydrophobicContact CG-CG1 3.69Å; L166-I170 HydrophobicContact CG-CD1 4.18Å; L166-I170 VanDerWaalsContact O-CG1 3.28Å; L166-I170 WeakPolarHBondContact O-CG1 3.37Å; L166-I170 PolarHBondContact O-N 2.91Å; A167-I170 PolarHBondContact O-N 3.34Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.41Å; I170-R172 VanDerWaalsContact C-N 3.26Å; I170-R172 PolarHBondContact O-N 2.68Å; I170-K173 PolarHBondContact O-N 2.98Å; I170-K173 VanDerWaalsContact O-N 3.16Å; I170-T174 PolarHBondContact O-N 3.17Å; I170-T174 PolarHBondContact O-OG1 2.96Å
171L96.7Very high83.7Confident8 Ų870 Ų704%0.04236%0.361CS..Hα-helixtrans-59.7-39.7179.9177.662.4000111.2L8 F10 L53 Q54 K56 I58 A167 E168 K173 T174L8-L171 HydrophobicContact CD1-CD1 3.32Å; F10-L171 HydrophobicContact CE2-CB 4.14Å; F10-L171 HydrophobicContact CZ-CB 4.05Å; F10-L171 HydrophobicContact CZ-CD1 4.21Å; L53-L171 HydrophobicContact CB-CD2 4.22Å; Q54-L171 HydrophobicContact CB-CD2 4.06Å; Q54-L171 HydrophobicContact CG-CD2 3.97Å; K56-L171 HydrophobicContact CD-CD1 4.15Å; I58-L171 HydrophobicContact CD1-CD1 4.19Å; I58-L171 HydrophobicContact CD1-CD2 4.08Å; A167-L171 WeakPolarHBondContact O-CB 3.24Å; A167-L171 PolarHBondContact O-N 3.17Å; E168-L171 PolarHBondContact O-N 3.07Å; L171-K173 VanDerWaalsContact C-N 3.26Å; L171-K173 PolarHBondContact O-N 2.94Å; L171-T174 PolarHBondContact O-N 2.85Å; L171-T174 VanDerWaalsContact O-N 3.09Å
172R95.4Very high81.1Confident152 Ų15271.7 Ų71.757%0.57437%0.37SS*.Hα-helixtrans-62.9-31.5178.6-160.9-177.4-53.9115.38.7112.9E168 D169 I170E168-R172 PolarHBondContact O-N 3.38Å; D169-R172 PolarHBondContact O-N 3.06Å; D169-R172 IonicContact OD1-CZ 3.78Å; D169-R172 VanDerWaalsContact OD1-CZ 3.29Å; D169-R172 IonicContact OD1-NH1 2.76Å; D169-R172 PolarHBondContact OD1-NH1 3.35Å; D169-R172 IonicContact OD1-NH2 3.68Å; D169-R172 PolarHBondContact OD1-NH2 3.07Å; I170-R172 VanDerWaalsContact C-N 3.26Å; I170-R172 PolarHBondContact O-N 2.68Å
173K93.1Very high78.3Confident110 Ų11078.9 Ų78.948%0.47841%0.409SS..Hα-helixtrans-84.4-18.7174.7-73.3-178.2169.1165.90113.6D114 E116 D169 I170 L171 P175D114-K173 PolarHBondContact O-NZ 3.12Å; E116-K173 VanDerWaalsContact CD-NZ 3.26Å; E116-K173 HydrophobicContact CG-CD 4.32Å; E116-K173 WeakPolarHBondContact OE1-CD 3.22Å; E116-K173 WeakPolarHBondContact OE1-CE 3.13Å; E116-K173 IonicContact OE1-NZ 2.63Å; E116-K173 PolarHBondContact OE1-NZ 3Å; E116-K173 IonicContact OE2-NZ 2.93Å; D169-K173 PolarHBondContact O-N 2.9Å; I170-K173 PolarHBondContact O-N 2.98Å; I170-K173 VanDerWaalsContact O-N 3.16Å; L171-K173 VanDerWaalsContact C-N 3.26Å; L171-K173 PolarHBondContact O-N 2.94Å; K173-P175 VanDerWaalsContact O-CD 3.31Å; K173-P175 WeakPolarHBondContact O-CD 3.47Å
174T89.8Confident75.6Confident30 Ų3084 Ų8418%0.18444%0.44CS..SBendtrans-76.2118.1-176.2-590000109.6L8 I170 L171 V176L8-T174 HydrophobicContact CD2-CG2 4.21Å; I170-T174 PolarHBondContact O-N 3.17Å; I170-T174 PolarHBondContact O-OG1 2.96Å; L171-T174 PolarHBondContact O-N 2.85Å; L171-T174 VanDerWaalsContact O-N 3.09Å; T174-V176 PolarHBondContact O-N 3Å; T174-V176 VanDerWaalsContact O-N 3.1Å
175P81.5Confident72.9Confident113 Ų11388.8 Ų88.873%0.73447%0.465SS*.  trans-59.4120.3175.7-19.731.4000109.4K173 K177K173-P175 VanDerWaalsContact O-CD 3.31Å; K173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-K177 PolarHBondContact O-N 3.15Å
176V67.4Low70.2Confident89 Ų8994.7 Ų94.754%0.53949%0.494SS..  trans-71.3103.7170.9-177.10000106.4K56 T174 E178K56-V176 VanDerWaalsContact NZ-CG1 3.35Å; T174-V176 PolarHBondContact O-N 3Å; T174-V176 VanDerWaalsContact O-N 3.1Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 2.9Å
177K61Low67.5Low197 Ų19799 Ų9986%0.85753%0.525SS*.  trans-62.9106.9154.4-71.6-171.1177.7-172.80104.9P175P175-K177 PolarHBondContact O-N 3.15Å
178E51.4Low64.7Low153 Ų153104.6 Ų104.672%0.71556%0.564SS**  trans-52.1133.2165.2-67.4-156.7163.100107V176 N180V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 2.9Å; E178-N180 PolarHBondContact O-N 3.37Å
179P51.4Low61.7Low117 Ų117104.8 Ų104.876%0.7659%0.587SS**  trans-57.1117.4169.523.8-29.2000106.1S181P179-S181 PolarHBondContact O-N 3.05Å
180N45.4Very low58.6Low124 Ų124108.7 Ų108.766%0.66363%0.628SS**  trans-38.7109.4177.2-98.720.4000108.3E178 E182E178-N180 PolarHBondContact O-N 3.37Å; N180-E182 HydrophobicContact CB-CB 4.42Å; N180-E182 HydrophobicContact CB-CG 4.29Å; N180-E182 VanDerWaalsContact ND2-CD 3.29Å; N180-E182 PolarHBondContact ND2-OE2 2.93Å; N180-E182 PolarHBondContact O-N 2.86Å
181S41.9Very low55.6Low100 Ų100112.2 Ų112.270%0.69967%0.665SS**  trans-73.952164.148.30000108.5P179 N183P179-S181 PolarHBondContact O-N 3.05Å; S181-N183 PolarHBondContact O-N 3.27Å
182E42.8Very low52.6Low152 Ų152118.6 Ų118.671%0.7170%0.704SS**  trans-88.463.3164-72.5177.5160.700107.6N180N180-E182 HydrophobicContact CB-CB 4.42Å; N180-E182 HydrophobicContact CB-CG 4.29Å; N180-E182 VanDerWaalsContact ND2-CD 3.29Å; N180-E182 PolarHBondContact ND2-OE2 2.93Å; N180-E182 PolarHBondContact O-N 2.86Å
183N39.9Very low49.9Very low151 Ų151118 Ų11881%0.80772%0.718SS**  trans-114.271.2152-93.1-13.1000106.1S181S181-N183 PolarHBondContact O-N 3.27Å
184V43.7Very low47.1Very low106 Ų106116 Ų11664%0.64273%0.728SS**  trans-112.269.8160.6-170.70000106.1I186V184-I186 HydrophobicContact CG1-CD1 3.44Å; V184-I186 VanDerWaalsContact CG1-CD1 3.44Å; V184-I186 HydrophobicContact CG1-CG1 3.57Å; V184-I186 PolarHBondContact O-N 2.96Å
185D41.2Very low44.6Very low145 Ų145126.8 Ų126.878%0.77577%0.766SS**  trans-71.883.6158.9-87.7-32.6000107.2S187D185-S187 PolarHBondContact O-N 3.37Å; D185-S187 VanDerWaalsContact O-N 3.09Å
186I41.1Very low42.3Very low152 Ų152130.4 Ų130.478%0.77977%0.77SS**  trans-79.674.9158.2-67.3161.4000106V184 S188V184-I186 HydrophobicContact CG1-CD1 3.44Å; V184-I186 VanDerWaalsContact CG1-CD1 3.44Å; V184-I186 HydrophobicContact CG1-CG1 3.57Å; V184-I186 PolarHBondContact O-N 2.96Å; I186-S188 PolarHBondContact O-N 2.73Å
187S42.5Very low40.8Very low92 Ų92131.3 Ų131.364%0.64378%0.78SS**  trans-80.894.2163.561.90000108.8D185D185-S187 PolarHBondContact O-N 3.37Å; D185-S187 VanDerWaalsContact O-N 3.09Å
188S39.6Very low39.9Very low118 Ų118132 Ų13283%0.82578%0.783SS**  61.888.3129.3-38.20000117I186I186-S188 PolarHBondContact O-N 2.73Å
189G34.5Very low38.7Very low81 Ų81130.6 Ų130.684%0.83579%0.789SS**  trans-150.670.7171.800000114
190G32.5Very low38.6Very low88 Ų88135 Ų13591%0.90782%0.82SS**  trans79.5121.5148.900000118.2
191G35.1Very low38.2Very low78 Ų78135.5 Ų135.580%0.80483%0.828SS**  trans163.371.516600000114.2
192V33.5Very low38Very low142 Ų142137.4 Ų137.486%0.86184%0.835SS**  trans-70.9126.2175.5177.10000110.5
193T38.4Very low37.8Very low141 Ų141136.6 Ų136.687%0.86584%0.841SS**  trans-179.6126.5137.9440000105
194G34.1Very low37.6Very low66 Ų66135.7 Ų135.768%0.6884%0.843SS**  cis121.39431.700000107.2
195W37.4Very low37.2Very low258 Ų258137.6 Ų137.698%0.97786%0.856SS**  trans-162.7152144-118-40.3000113
196K34.6Very low37Very low188 Ų188137.1 Ų137.182%0.81786%0.861SS**  trans-99.7161.7-153.1-73.2179.5167.6-179.80113
197S34.7Very low36.7Very low109 Ų109136 Ų13676%0.76287%0.867SS**  trans69.7118.6138.2630000120.1
198K42.3Very low36.3Very low210 Ų210139.4 Ų139.491%0.91388%0.884SS**  -154.5116.8113.5-110172.7-179.7177.90110.2
199C27.5Very low36Very low125 Ų125141.2 Ų141.285%0.84589%0.889SS**  trans-87.2139160.8-640000108.1
200C47.4Very low36.1Very low208 Ų208146.6 Ų146.6100%1.40589%0.894SS**  trans-145.90142-80.30000106

Retrieved 200 of 200 residues in 116.7 ms (Link to these results)

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