Y1193_STAA8 Loading...

Uncharacterized protein SAOUHSC_01193

AlphaFold DB , UniProt , Accession Q2FZ58, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 548 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
1M85.8Confident95.7Very high154 Ų15457 Ų5776%0.75928%0.284SS*.  0117.10-163.7-177-156.800110.1E151 D152M1-E151 HydrophobicContact CE-CB 4.05Å; M1-D152 VanDerWaalsContact CA-CG 3.48Å; M1-D152 WeakPolarHBondContact CA-OD1 3.37Å; M1-D152 WeakPolarHBondContact CA-OD2 3.42Å; M1-D152 HydrophobicContact CE-CB 4.39Å; M1-D152 HydrophobicContact CG-CB 3.98Å
2I93.3Very high95.8Very high50 Ų5057.7 Ų57.726%0.25629%0.289SS..  trans-116.9105.2169.6-63.9-65.9000106.3K4 I5 L9 D152 C153 I154 L202I2-K4 WeakPolarHBondContact CG2-O 3.13Å; I2-I5 HydrophobicContact CG2-CG1 4.45Å; I2-L9 HydrophobicContact CG2-CD2 3.75Å; I2-D152 PolarHBondContact N-OD1 2.8Å; I2-C153 HydrophobicContact CB-CB 4.5Å; I2-C153 HydrophobicContact CG2-CB 4.29Å; I2-C153 WeakPolarHBondContact O-CB 3.39Å; I2-C153 PolarHBondContact O-N 2.8Å; I2-I154 HydrophobicContact CB-CD1 4.44Å; I2-I154 HydrophobicContact CB-CG1 4.28Å; I2-I154 HydrophobicContact CG1-CD1 3.75Å; I2-I154 HydrophobicContact CG1-CG1 4.02Å; I2-L202 HydrophobicContact CG2-CD2 4.26Å
3S93.8Very high96.1Very high59 Ų5953.3 Ų53.341%0.41327%0.267SS..  trans-89.4-14.1-179.256.30000114N105 E151S3-N105 WeakPolarHBondContact O-CA 3.44Å; S3-E151 WeakPolarHBondContact CA-O 3.38Å
4K96.6Very high96.2Very high113 Ų11349.5 Ų49.549%0.49125%0.248SC..  trans-143.5143.1-177.3-63.5-172173.1-171.30111.7I2 E103 I104I2-K4 WeakPolarHBondContact CG2-O 3.13Å; K4-E103 HydrophobicContact CD-CG 4.44Å; K4-E103 VanDerWaalsContact CD-OE1 3.26Å; K4-E103 WeakPolarHBondContact CD-OE1 3.41Å; K4-E103 WeakPolarHBondContact CE-OE1 3.24Å; K4-E103 IonicContact NZ-OE1 2.7Å; K4-E103 PolarHBondContact NZ-OE1 2.9Å; K4-I104 CarbonylContact C-O 3.51Å; K4-I104 VanDerWaalsContact CA-O 3.28Å; K4-I104 WeakPolarHBondContact CA-O 3.49Å
5I98Very high96.3Very high0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-117.2120.4174.9-58.2169000107.4I2 L9 F10 M13 I64 E103 I104 L109 C153 L202I2-I5 HydrophobicContact CG2-CG1 4.45Å; I5-L9 HydrophobicContact CG1-CD2 4.21Å; I5-L9 HydrophobicContact CG2-CB 4.18Å; I5-L9 HydrophobicContact CG2-CD2 4.46Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; I5-F10 HydrophobicContact CG2-CB 4Å; I5-M13 HydrophobicContact CD1-CE 4.36Å; I5-M13 HydrophobicContact CD1-SD 4.02Å; I5-M13 HydrophobicContact CG2-SD 3.95Å; I5-I64 HydrophobicContact CB-CD1 4.45Å; I5-I64 HydrophobicContact CG2-CD1 3.92Å; I5-E103 CarbonylContact O-C 3.6Å; I5-E103 WeakPolarHBondContact O-CA 3.36Å; I5-E103 WeakPolarHBondContact O-CB 3.38Å; I5-I104 HydrophobicContact CB-CG1 4Å; I5-I104 PolarHBondContact N-O 3.03Å; I5-I104 PolarHBondContact O-N 2.82Å; I5-L109 HydrophobicContact CD1-CD1 4.36Å; I5-L109 HydrophobicContact CD1-CD2 3.78Å; I5-C153 HydrophobicContact CD1-CB 4.05Å; I5-C153 HydrophobicContact CG1-CB 4.37Å; I5-L202 HydrophobicContact CD1-CD2 3.95Å; I5-L202 HydrophobicContact CG1-CD2 4.05Å
6N97.3Very high96.4Very high69 Ų6946.8 Ų46.837%0.36923%0.234SC..EExtended strand (participates in β ladder)trans-103.2179.5172.764.520.4000110.4K8 L9 F10 E103N6-K8 VanDerWaalsContact C-N 3.27Å; N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 PolarHBondContact OD1-N 2.99Å; N6-L9 PolarHBondContact O-N 2.94Å; N6-L9 PolarHBondContact OD1-N 2.84Å; N6-F10 WeakPolarHBondContact O-CB 3.34Å; N6-F10 PolarHBondContact O-N 3.12Å; N6-E103 HydrophobicContact CB-CB 4.31Å
7G97.3Very high96.5Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-57.1-36.9-179.300000113.7F10 A11 S61 K62 L67G7-F10 PolarHBondContact O-N 3.25Å; G7-A11 WeakPolarHBondContact O-CB 3.43Å; G7-A11 PolarHBondContact O-N 2.99Å; G7-S61 CarbonylContact C-O 3.44Å; G7-S61 WeakPolarHBondContact CA-O 2.96Å; G7-K62 WeakPolarHBondContact CA-O 3.35Å; G7-K62 PolarHBondContact N-O 2.73Å; G7-L67 WeakPolarHBondContact O-CD2 3.27Å
8K96.7Very high96.6Very high146 Ų14641.7 Ų41.764%0.63521%0.209SC*.Hα-helixtrans-64.1-49.5177.7-177.4-178.7175.7-175.20111.9N6 F10 A11 D12N6-K8 VanDerWaalsContact C-N 3.27Å; N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 PolarHBondContact OD1-N 2.99Å; K8-F10 VanDerWaalsContact C-N 3.28Å; K8-F10 PolarHBondContact O-N 2.66Å; K8-A11 WeakPolarHBondContact O-CB 3.43Å; K8-A11 PolarHBondContact O-N 3.4Å; K8-D12 PolarHBondContact O-N 3.43Å; K8-D12 VanDerWaalsContact O-N 3.08Å
9L97.3Very high96.6Very high32 Ų3242 Ų4217%0.16821%0.21CC..Hα-helixtrans-67.5-34.1-179.9-17555.6000111.2I2 I5 N6 D12 M13 L202I2-L9 HydrophobicContact CG2-CD2 3.75Å; I5-L9 HydrophobicContact CG1-CD2 4.21Å; I5-L9 HydrophobicContact CG2-CB 4.18Å; I5-L9 HydrophobicContact CG2-CD2 4.46Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; N6-L9 PolarHBondContact O-N 2.94Å; N6-L9 PolarHBondContact OD1-N 2.84Å; L9-D12 PolarHBondContact O-N 3.02Å; L9-M13 VanDerWaalsContact O-CG 3.29Å; L9-M13 WeakPolarHBondContact O-CG 3.19Å; L9-M13 PolarHBondContact O-N 2.72Å; L9-L202 HydrophobicContact CD2-CD2 3.93Å; L9-L202 HydrophobicContact CG-CD2 4.22Å
10F98.4Very high96.7Very high1 Ų140.2 Ų40.20%0.00420%0.2CC..Hα-helixtrans-67.9-38.4174.5-171.1-131.6000112.6I5 N6 G7 K8 D12 M13 I14 I64 L67 F71 F94 I98I5-F10 HydrophobicContact CG2-CB 4Å; N6-F10 WeakPolarHBondContact O-CB 3.34Å; N6-F10 PolarHBondContact O-N 3.12Å; G7-F10 PolarHBondContact O-N 3.25Å; K8-F10 VanDerWaalsContact C-N 3.28Å; K8-F10 PolarHBondContact O-N 2.66Å; F10-D12 VanDerWaalsContact C-N 3.35Å; F10-M13 HydrophobicContact CD2-SD 4.33Å; F10-M13 WeakPolarHBondContact O-CB 3.26Å; F10-M13 PolarHBondContact O-N 2.69Å; F10-I14 HydrophobicContact CD1-CD1 3.92Å; F10-I14 HydrophobicContact CD2-CD1 4.41Å; F10-I14 HydrophobicContact CE1-CD1 3.71Å; F10-I14 HydrophobicContact CE2-CD1 4.22Å; F10-I14 HydrophobicContact CE2-CG1 4.31Å; F10-I14 HydrophobicContact CG-CD1 4.27Å; F10-I14 HydrophobicContact CZ-CD1 3.87Å; F10-I14 HydrophobicContact CZ-CG1 4.36Å; F10-I14 WeakPolarHBondContact O-CG1 3.44Å; F10-I14 PolarHBondContact O-N 3.09Å; F10-I64 HydrophobicContact CB-CD1 3.84Å; F10-I64 HydrophobicContact CB-CG1 3.69Å; F10-I64 HydrophobicContact CD1-CD1 4.13Å; F10-I64 HydrophobicContact CD1-CG1 3.53Å; F10-I64 HydrophobicContact CD2-CD1 4.38Å; F10-I64 HydrophobicContact CE1-CG1 4.31Å; F10-I64 HydrophobicContact CG-CD1 3.88Å; F10-I64 HydrophobicContact CG-CG1 3.72Å; F10-L67 HydrophobicContact CB-CD2 4.49Å; F10-L67 HydrophobicContact CD1-CD2 4.18Å; F10-F71 HydrophobicContact CZ-CD1 4.3Å; F10-F94 AromaticContact CE2-CE1 3.8Å; F10-F94 HydrophobicContact CE2-CE1 3.8Å; F10-F94 HydrophobicContact CE2-CZ 4.29Å; F10-F94 HydrophobicContact CZ-CD1 4.26Å; F10-F94 AromaticContact CZ-CE1 3.76Å; F10-F94 HydrophobicContact CZ-CE1 3.76Å; F10-I98 HydrophobicContact CE1-CD1 4.27Å; F10-I98 HydrophobicContact CZ-CD1 4.5Å
11A98.1Very high96.8Very high3 Ų338.2 Ų38.23%0.02519%0.191CC..Hα-helixtrans-58-48.5170.700000110.9G7 K8 M13 I14 I15 V56 L60 L67G7-A11 WeakPolarHBondContact O-CB 3.43Å; G7-A11 PolarHBondContact O-N 2.99Å; K8-A11 WeakPolarHBondContact O-CB 3.43Å; K8-A11 PolarHBondContact O-N 3.4Å; A11-M13 VanDerWaalsContact C-N 3.31Å; A11-M13 PolarHBondContact O-N 3.2Å; A11-I14 PolarHBondContact O-N 3.49Å; A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.46Å; A11-I15 PolarHBondContact O-N 3.37Å; A11-V56 HydrophobicContact CB-CG1 4.04Å; A11-L60 HydrophobicContact CB-CD2 3.89Å; A11-L67 HydrophobicContact CB-CD2 3.63Å
12D97.6Very high97.3Very high65 Ų6533.1 Ų33.135%0.34817%0.17SC..Hα-helixtrans-59.6-42.5177-74.1-21.1000110.9K8 L9 F10 I14 I15 Q16 A201K8-D12 PolarHBondContact O-N 3.43Å; K8-D12 VanDerWaalsContact O-N 3.08Å; L9-D12 PolarHBondContact O-N 3.02Å; F10-D12 VanDerWaalsContact C-N 3.35Å; D12-I14 PolarHBondContact O-N 2.9Å; D12-I15 PolarHBondContact O-N 3.3Å; D12-Q16 VanDerWaalsContact O-CG 3.27Å; D12-Q16 WeakPolarHBondContact O-CG 3.45Å; D12-Q16 PolarHBondContact O-N 3.33Å; D12-A201 HydrophobicContact CB-CB 4.32Å
13M98.6Very high97.4Very high1 Ų131.9 Ų31.91%0.00516%0.164CC..Hα-helixtrans-56.6-49.3173.7-70.8166.968.500111.9I5 L9 F10 A11 I15 Q16 G17 F198 A201 L202I5-M13 HydrophobicContact CD1-CE 4.36Å; I5-M13 HydrophobicContact CD1-SD 4.02Å; I5-M13 HydrophobicContact CG2-SD 3.95Å; L9-M13 VanDerWaalsContact O-CG 3.29Å; L9-M13 WeakPolarHBondContact O-CG 3.19Å; L9-M13 PolarHBondContact O-N 2.72Å; F10-M13 HydrophobicContact CD2-SD 4.33Å; F10-M13 WeakPolarHBondContact O-CB 3.26Å; F10-M13 PolarHBondContact O-N 2.69Å; A11-M13 VanDerWaalsContact C-N 3.31Å; A11-M13 PolarHBondContact O-N 3.2Å; M13-I15 PolarHBondContact O-N 2.77Å; M13-Q16 PolarHBondContact O-N 2.83Å; M13-G17 PolarHBondContact O-N 2.96Å; M13-F198 HydrophobicContact CB-CB 4.39Å; M13-F198 HydrophobicContact CB-CD1 3.95Å; M13-F198 HydrophobicContact CB-CE1 4.37Å; M13-F198 HydrophobicContact CB-CG 4.11Å; M13-F198 HydrophobicContact CE-CB 3.91Å; M13-F198 HydrophobicContact CE-CD2 3.74Å; M13-F198 HydrophobicContact CE-CE2 4.43Å; M13-F198 HydrophobicContact CE-CG 3.93Å; M13-F198 HydrophobicContact CG-CB 4.5Å; M13-F198 WeakPolarHBondContact O-CD1 3.31Å; M13-F198 VanDerWaalsContact O-CE1 3.29Å; M13-F198 WeakPolarHBondContact O-CE1 3.19Å; M13-A201 VanDerWaalsContact CA-CB 3.43Å; M13-A201 HydrophobicContact CB-CB 4.21Å; M13-A201 HydrophobicContact CG-CB 3.83Å; M13-L202 HydrophobicContact CE-CD1 4.24Å; M13-L202 HydrophobicContact CE-CG 4.38Å; M13-L202 HydrophobicContact CG-CD2 4.43Å; M13-L202 HydrophobicContact CG-CG 4.21Å; M13-L202 HydrophobicContact SD-CD2 3.82Å; M13-L202 HydrophobicContact SD-CG 4.04Å
14I98.5Very high97.6Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-60.2-46.8179.4-69.1162.4000111F10 A11 D12 G17 A18 M49 R53 V56 F71F10-I14 HydrophobicContact CD1-CD1 3.92Å; F10-I14 HydrophobicContact CD2-CD1 4.41Å; F10-I14 HydrophobicContact CE1-CD1 3.71Å; F10-I14 HydrophobicContact CE2-CD1 4.22Å; F10-I14 HydrophobicContact CE2-CG1 4.31Å; F10-I14 HydrophobicContact CG-CD1 4.27Å; F10-I14 HydrophobicContact CZ-CD1 3.87Å; F10-I14 HydrophobicContact CZ-CG1 4.36Å; F10-I14 WeakPolarHBondContact O-CG1 3.44Å; F10-I14 PolarHBondContact O-N 3.09Å; A11-I14 PolarHBondContact O-N 3.49Å; D12-I14 PolarHBondContact O-N 2.9Å; I14-G17 PolarHBondContact O-N 3.4Å; I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 2.88Å; I14-M49 HydrophobicContact CG2-CE 4.06Å; I14-M49 WeakPolarHBondContact O-CE 3.38Å; I14-R53 HydrophobicContact CG2-CB 4.37Å; I14-V56 HydrophobicContact CD1-CG1 4.43Å; I14-V56 HydrophobicContact CD1-CG2 4.02Å; I14-V56 HydrophobicContact CG2-CG2 4.4Å; I14-F71 HydrophobicContact CB-CE2 4.48Å; I14-F71 HydrophobicContact CD1-CB 3.9Å; I14-F71 HydrophobicContact CD1-CD1 3.69Å; I14-F71 HydrophobicContact CD1-CD2 3.92Å; I14-F71 HydrophobicContact CD1-CE1 4.14Å; I14-F71 HydrophobicContact CD1-CE2 4.37Å; I14-F71 HydrophobicContact CD1-CG 3.56Å; I14-F71 HydrophobicContact CD1-CZ 4.46Å; I14-F71 HydrophobicContact CG1-CD1 4.1Å; I14-F71 HydrophobicContact CG1-CD2 4.23Å; I14-F71 HydrophobicContact CG1-CE1 4.02Å; I14-F71 HydrophobicContact CG1-CE2 4.17Å; I14-F71 HydrophobicContact CG1-CG 4.2Å; I14-F71 HydrophobicContact CG1-CZ 4.05Å; I14-F71 HydrophobicContact CG2-CD2 3.74Å; I14-F71 HydrophobicContact CG2-CE2 3.53Å; I14-F71 HydrophobicContact CG2-CG 4.5Å; I14-F71 HydrophobicContact CG2-CZ 4.11Å
15I97.3Very high97.5Very high37 Ų3725.3 Ų25.319%0.1913%0.131CC..Hα-helixtrans-61.5-48.2179.9-66164.5000110.7A11 D12 M13 A18 Q19 R53 E57A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.46Å; A11-I15 PolarHBondContact O-N 3.37Å; D12-I15 PolarHBondContact O-N 3.3Å; M13-I15 PolarHBondContact O-N 2.77Å; I15-A18 PolarHBondContact O-N 2.87Å; I15-Q19 WeakPolarHBondContact O-CB 3.45Å; I15-Q19 PolarHBondContact O-N 2.93Å; I15-R53 HydrophobicContact CG1-CG 4.12Å; I15-E57 HydrophobicContact CD1-CG 4.02Å; I15-E57 HydrophobicContact CG1-CG 4.12Å
16Q98Very high97.2Very high19 Ų1931.6 Ų31.69%0.08916%0.164CC..Hα-helixtrans-69.7-35.1179.3-60.2-38.6-5300112.4D12 M13 N20 G197 A201 V207D12-Q16 VanDerWaalsContact O-CG 3.27Å; D12-Q16 WeakPolarHBondContact O-CG 3.45Å; D12-Q16 PolarHBondContact O-N 3.33Å; M13-Q16 PolarHBondContact O-N 2.83Å; Q16-N20 VanDerWaalsContact O-CB 3.28Å; Q16-N20 WeakPolarHBondContact O-CB 3.35Å; Q16-N20 PolarHBondContact O-N 2.64Å; Q16-G197 VanDerWaalsContact CB-O 3.24Å; Q16-G197 WeakPolarHBondContact CB-O 3.25Å; Q16-A201 HydrophobicContact CB-CB 3.99Å; Q16-A201 HydrophobicContact CG-CB 3.71Å; Q16-V207 HydrophobicContact CB-CG2 4.05Å
17G98.4Very high97.1Very high0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-60.9-49.6173.600000112.1M13 I14 N20 L21M13-G17 PolarHBondContact O-N 2.96Å; I14-G17 PolarHBondContact O-N 3.4Å; G17-N20 PolarHBondContact O-N 2.88Å; G17-L21 PolarHBondContact O-N 3.14Å
18A97.8Very high97Very high1 Ų131.9 Ų31.91%0.00817%0.165CC..Hα-helixtrans-61.4-47.3176.400000111.8I14 I15 N20 L21 S22 M49 R53I14-A18 VanDerWaalsContact O-CB 3.3Å; I14-A18 WeakPolarHBondContact O-CB 3.36Å; I14-A18 PolarHBondContact O-N 2.88Å; I15-A18 PolarHBondContact O-N 2.87Å; A18-N20 VanDerWaalsContact C-N 3.34Å; A18-N20 PolarHBondContact O-N 3.31Å; A18-L21 PolarHBondContact O-N 3.41Å; A18-S22 WeakPolarHBondContact O-CB 3.03Å; A18-S22 PolarHBondContact O-N 2.92Å; A18-M49 HydrophobicContact CB-CE 4.08Å; A18-M49 HydrophobicContact CB-CG 3.67Å; A18-R53 HydrophobicContact CB-CB 3.86Å; A18-R53 HydrophobicContact CB-CG 4.14Å
19Q97.6Very high96.8Very high48 Ų4826.1 Ų26.122%0.22414%0.141CC..Hα-helixtrans-65.2-37179.1-171.660.767.400112.4I15 S22 N23 V207I15-Q19 WeakPolarHBondContact O-CB 3.45Å; I15-Q19 PolarHBondContact O-N 2.93Å; Q19-S22 PolarHBondContact O-N 3.39Å; Q19-N23 PolarHBondContact NE2-OD1 3.23Å; Q19-N23 VanDerWaalsContact NE2-OD1 3.13Å; Q19-N23 WeakPolarHBondContact O-CB 3.36Å; Q19-N23 VanDerWaalsContact O-CG 3.23Å; Q19-N23 PolarHBondContact O-N 3.14Å; Q19-V207 HydrophobicContact CB-CB 4.21Å; Q19-V207 HydrophobicContact CB-CG1 4.2Å; Q19-V207 HydrophobicContact CG-CB 4.09Å; Q19-V207 HydrophobicContact CG-CG1 3.83Å; Q19-V207 WeakPolarHBondContact CG-O 2.96Å
20N98.3Very high96.5Very high5 Ų527.7 Ų27.73%0.02716%0.155CC..Hα-helixtrans-69.8-36.7177.4-161.267.9000111.6Q16 G17 A18 N24 C193 E196 K200 V207Q16-N20 VanDerWaalsContact O-CB 3.28Å; Q16-N20 WeakPolarHBondContact O-CB 3.35Å; Q16-N20 PolarHBondContact O-N 2.64Å; G17-N20 PolarHBondContact O-N 2.88Å; A18-N20 VanDerWaalsContact C-N 3.34Å; A18-N20 PolarHBondContact O-N 3.31Å; N20-N24 PolarHBondContact O-N 3.06Å; N20-N24 PolarHBondContact O-ND2 3Å; N20-C193 PolarHBondContact ND2-O 3.2Å; N20-E196 PolarHBondContact ND2-OE2 2.86Å; N20-K200 PolarHBondContact OD1-NZ 3.08Å; N20-V207 HydrophobicContact CB-CG1 4.11Å; N20-V207 HydrophobicContact CB-CG2 4.1Å
21L97.9Very high96.3Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-65.6-47.1171.517860.2000111.3G17 A18 N23 N24 A25 M45 N46 M49 C193 V194G17-L21 PolarHBondContact O-N 3.14Å; A18-L21 PolarHBondContact O-N 3.41Å; L21-N23 VanDerWaalsContact C-N 3.31Å; L21-N23 PolarHBondContact O-N 2.9Å; L21-N24 CarbonylContact O-C 3.53Å; L21-N24 VanDerWaalsContact O-C 3.28Å; L21-N24 WeakPolarHBondContact O-CA 3.35Å; L21-N24 PolarHBondContact O-N 3.04Å; L21-A25 PolarHBondContact O-N 3.48Å; L21-M45 HydrophobicContact CD2-CB 4.01Å; L21-N46 HydrophobicContact CG-CB 4.48Å; L21-M49 HydrophobicContact CD2-CB 3.85Å; L21-M49 HydrophobicContact CD2-CG 4.27Å; L21-C193 HydrophobicContact CD1-CB 4.34Å; L21-V194 HydrophobicContact CB-CG2 4.05Å; L21-V194 HydrophobicContact CD2-CG2 3.84Å; L21-V194 HydrophobicContact CG-CG2 4.44Å
22S96.2Very high95.8Very high47 Ų4730 Ų3033%0.32917%0.167SC..Hα-helixtrans-53.4-47.7176172.80000111.8A18 Q19 N24 A25 N46A18-S22 WeakPolarHBondContact O-CB 3.03Å; A18-S22 PolarHBondContact O-N 2.92Å; Q19-S22 PolarHBondContact O-N 3.39Å; S22-N24 PolarHBondContact O-N 3.11Å; S22-A25 PolarHBondContact O-N 3.46Å; S22-N46 VanDerWaalsContact CA-OD1 3.25Å; S22-N46 WeakPolarHBondContact CA-OD1 3.2Å; S22-N46 VanDerWaalsContact CB-OD1 3.25Å; S22-N46 WeakPolarHBondContact CB-OD1 3.48Å
23N96.3Very high95.2Very high24 Ų2427.9 Ų27.913%0.12816%0.157CC..THydrogen-bonded Turntrans-61.4-16.4176.6-75.9-7.6000114.2Q19 L21 V207 E208 A209 K210Q19-N23 PolarHBondContact NE2-OD1 3.23Å; Q19-N23 VanDerWaalsContact NE2-OD1 3.13Å; Q19-N23 WeakPolarHBondContact O-CB 3.36Å; Q19-N23 VanDerWaalsContact O-CG 3.23Å; Q19-N23 PolarHBondContact O-N 3.14Å; L21-N23 VanDerWaalsContact C-N 3.31Å; L21-N23 PolarHBondContact O-N 2.9Å; N23-V207 WeakPolarHBondContact ND2-CG1 3.27Å; N23-E208 PolarHBondContact ND2-O 3.13Å; N23-A209 WeakPolarHBondContact OD1-CA 3.27Å; N23-K210 HydrophobicContact CB-CD 4.1Å; N23-K210 HydrophobicContact CB-CG 4.03Å; N23-K210 WeakPolarHBondContact O-CD 3.24Å; N23-K210 VanDerWaalsContact O-CE 3.29Å; N23-K210 WeakPolarHBondContact O-CE 3.3Å; N23-K210 PolarHBondContact O-NZ 2.88Å; N23-K210 PolarHBondContact OD1-N 2.87Å
24N96.9Very high94.5Very high27 Ų2730.9 Ų30.914%0.14417%0.168CC..THydrogen-bonded Turntrans-123.614.3-176.9-64.3-72.7000112.5N20 L21 S22 D26 L27 V28 K210N20-N24 PolarHBondContact O-N 3.06Å; N20-N24 PolarHBondContact O-ND2 3Å; L21-N24 CarbonylContact O-C 3.53Å; L21-N24 VanDerWaalsContact O-C 3.28Å; L21-N24 WeakPolarHBondContact O-CA 3.35Å; L21-N24 PolarHBondContact O-N 3.04Å; S22-N24 PolarHBondContact O-N 3.11Å; N24-D26 PolarHBondContact O-N 2.89Å; N24-L27 HydrophobicContact CB-CB 4.41Å; N24-L27 WeakPolarHBondContact O-CB 3.16Å; N24-L27 PolarHBondContact O-N 2.97Å; N24-V28 WeakPolarHBondContact O-CG2 3.35Å; N24-V28 PolarHBondContact O-N 2.94Å; N24-K210 PolarHBondContact OD1-NZ 2.93Å
25A94.8Very high93.8Very high6 Ų630.9 Ų30.95%0.0517%0.168CC..Hα-helixtrans-57.9-50.1-179.600000111L21 S22 L27 V28 D29 N46L21-A25 PolarHBondContact O-N 3.48Å; S22-A25 PolarHBondContact O-N 3.46Å; A25-L27 VanDerWaalsContact C-N 3.28Å; A25-L27 PolarHBondContact O-N 3.27Å; A25-V28 CarbonylContact O-C 3.51Å; A25-V28 WeakPolarHBondContact O-CA 3.46Å; A25-V28 WeakPolarHBondContact O-CB 3.47Å; A25-V28 PolarHBondContact O-N 3.49Å; A25-D29 PolarHBondContact O-N 2.97Å; A25-N46 HydrophobicContact CB-CB 4.1Å
26D92.7Very high93.1Very high132 Ų13229.4 Ų29.471%0.70616%0.161SC*.Hα-helixtrans-60.7-36.4177.6-48.8-22.3000112.9N24 V28 D29 S30N24-D26 PolarHBondContact O-N 2.89Å; D26-V28 VanDerWaalsContact C-N 3.33Å; D26-D29 PolarHBondContact O-N 3.33Å; D26-S30 WeakPolarHBondContact O-CB 3.47Å; D26-S30 PolarHBondContact O-N 3.07Å
27L94.4Very high91.9Very high75 Ų7530.1 Ų30.139%0.39317%0.167SC..Hα-helixtrans-64.4-43.7175.3173.365.7000110N24 A25 S30 L31N24-L27 HydrophobicContact CB-CB 4.41Å; N24-L27 WeakPolarHBondContact O-CB 3.16Å; N24-L27 PolarHBondContact O-N 2.97Å; A25-L27 VanDerWaalsContact C-N 3.28Å; A25-L27 PolarHBondContact O-N 3.27Å; L27-S30 PolarHBondContact O-N 3.32Å; L27-S30 PolarHBondContact O-OG 3.43Å; L27-L31 WeakPolarHBondContact O-CG 3.34Å; L27-L31 PolarHBondContact O-N 3.41Å
28V95.6Very high90.6Very high0 Ų030.8 Ų30.80%017%0.171CC..Hα-helixtrans-65.5-41.7177.7174.80000111.1N24 A25 D26 S30 L31 T41 G42 S186 K189N24-V28 WeakPolarHBondContact O-CG2 3.35Å; N24-V28 PolarHBondContact O-N 2.94Å; A25-V28 CarbonylContact O-C 3.51Å; A25-V28 WeakPolarHBondContact O-CA 3.46Å; A25-V28 WeakPolarHBondContact O-CB 3.47Å; A25-V28 PolarHBondContact O-N 3.49Å; D26-V28 VanDerWaalsContact C-N 3.33Å; V28-S30 VanDerWaalsContact C-N 3.33Å; V28-S30 PolarHBondContact O-N 3.01Å; V28-L31 WeakPolarHBondContact O-CB 3.39Å; V28-L31 PolarHBondContact O-N 2.98Å; V28-T41 HydrophobicContact CG1-CG2 4.16Å; V28-G42 VanDerWaalsContact CG1-CA 3.42Å; V28-S186 VanDerWaalsContact CG1-O 3.27Å; V28-S186 WeakPolarHBondContact CG1-O 3.39Å; V28-S186 VanDerWaalsContact O-CB 3.31Å; V28-S186 WeakPolarHBondContact O-CB 3.41Å; V28-K189 HydrophobicContact CG2-CG 4.17Å
29D92.6Very high89.8Confident25 Ų2531.6 Ų31.613%0.13418%0.18CC..Hα-helixtrans-61.3-41.3174.8-75.1-24.7000111.3A25 D26 L31 N32 G39 D40 T41 G42 T43A25-D29 PolarHBondContact O-N 2.97Å; D26-D29 PolarHBondContact O-N 3.33Å; D29-L31 PolarHBondContact O-N 3.4Å; D29-L31 VanDerWaalsContact O-N 3.1Å; D29-N32 VanDerWaalsContact O-CB 3.25Å; D29-N32 WeakPolarHBondContact O-CB 3.35Å; D29-N32 PolarHBondContact O-N 3.13Å; D29-G39 WeakPolarHBondContact CB-O 3.35Å; D29-D40 VanDerWaalsContact OD1-CA 3.29Å; D29-D40 WeakPolarHBondContact OD1-CA 3.46Å; D29-T41 PolarHBondContact OD1-N 3.15Å; D29-G42 VanDerWaalsContact OD1-CA 3.25Å; D29-G42 WeakPolarHBondContact OD1-CA 3.37Å; D29-G42 PolarHBondContact OD1-N 3.21Å; D29-T43 PolarHBondContact OD1-N 3.43Å; D29-T43 VanDerWaalsContact OD1-N 3.17Å; D29-T43 PolarHBondContact OD2-N 3.2Å; D29-T43 VanDerWaalsContact OD2-N 3.13Å; D29-T43 PolarHBondContact OD2-OG1 2.91Å
30S91Very high89.3Confident66 Ų6629.9 Ų29.946%0.46217%0.172SC..Hα-helixtrans-62.1-21.3177.4800000114.3D26 L27 V28 R454D26-S30 WeakPolarHBondContact O-CB 3.47Å; D26-S30 PolarHBondContact O-N 3.07Å; L27-S30 PolarHBondContact O-N 3.32Å; L27-S30 PolarHBondContact O-OG 3.43Å; V28-S30 VanDerWaalsContact C-N 3.33Å; V28-S30 PolarHBondContact O-N 3.01Å; S30-R454 PolarHBondContact O-NH1 3.07Å; S30-R454 VanDerWaalsContact O-NH1 3.16Å
31L93Very high89.1Confident28 Ų2830.3 Ų30.315%0.14718%0.175CC..THydrogen-bonded Turntrans-87-5.5176.9-65.4171.6000113.1L27 V28 D29 V33 V183 V184 K189L27-L31 WeakPolarHBondContact O-CG 3.34Å; L27-L31 PolarHBondContact O-N 3.41Å; V28-L31 WeakPolarHBondContact O-CB 3.39Å; V28-L31 PolarHBondContact O-N 2.98Å; D29-L31 PolarHBondContact O-N 3.4Å; D29-L31 VanDerWaalsContact O-N 3.1Å; L31-V33 PolarHBondContact O-N 3.06Å; L31-V183 HydrophobicContact CD2-CB 4.13Å; L31-V183 HydrophobicContact CD2-CG1 4.22Å; L31-V184 HydrophobicContact CD1-CG2 4.08Å; L31-V184 HydrophobicContact CD2-CG2 4.39Å; L31-K189 HydrophobicContact CD1-CB 3.71Å; L31-K189 HydrophobicContact CD1-CG 3.64Å
32N88.7Confident88.9Confident25 Ų2530.3 Ų30.313%0.13418%0.175CC..  trans-57.9135.3172-166.4-46.3000108.9D29 Y34 G39 T41 R454D29-N32 VanDerWaalsContact O-CB 3.25Å; D29-N32 WeakPolarHBondContact O-CB 3.35Å; D29-N32 PolarHBondContact O-N 3.13Å; N32-Y34 PolarHBondContact OD1-N 3.24Å; N32-G39 WeakPolarHBondContact ND2-CA 3.13Å; N32-T41 PolarHBondContact ND2-OG1 3.18Å; N32-R454 PolarHBondContact O-NH1 3.39Å; N32-R454 PolarHBondContact O-NH2 2.96Å
33V85.1Confident88.7Confident20 Ų2030.4 Ų30.412%0.12117%0.174CC..SBendtrans-78.4-28.2-176.5-69.60000113L31 V177 L178 V181 V183 R454 I458L31-V33 PolarHBondContact O-N 3.06Å; V33-V177 HydrophobicContact CB-CG2 4.13Å; V33-V177 HydrophobicContact CG1-CG2 4.45Å; V33-V177 HydrophobicContact CG2-CG2 4.11Å; V33-L178 HydrophobicContact CG1-CD2 3.43Å; V33-L178 VanDerWaalsContact CG1-CD2 3.43Å; V33-L178 HydrophobicContact CG1-CG 4.41Å; V33-V181 HydrophobicContact CB-CG2 4.32Å; V33-V181 HydrophobicContact CG1-CG2 4.45Å; V33-V183 HydrophobicContact CG1-CG2 3.71Å; V33-R454 VanDerWaalsContact CA-NH2 3.33Å; V33-R454 PolarHBondContact O-NH2 3.09Å; V33-I458 WeakPolarHBondContact O-CD1 3.26Å
34Y84.3Confident88.5Confident63 Ų6329.5 Ų29.525%0.24717%0.168CC..SBendtrans-74.7127.2-177.4-95.9-87.3000109.9N32 V36 D474N32-Y34 PolarHBondContact OD1-N 3.24Å; Y34-V36 HydrophobicContact CD1-CG2 4.18Å; Y34-V36 HydrophobicContact CG-CG2 4.38Å; Y34-V36 PolarHBondContact O-N 3.05Å; Y34-V36 VanDerWaalsContact O-N 3.09Å; Y34-D474 VanDerWaalsContact CE1-O 3.26Å; Y34-D474 WeakPolarHBondContact CE1-O 3.4Å; Y34-D474 PolarHBondContact OH-O 3.04Å
35P82.3Confident88.5Confident0 Ų028.2 Ų28.20%016%0.162CC..  trans-86.228.7-172.734.8-31.8000111.9A452 V453 R454 T456 I458 I463 M469 I476P35-A452 VanDerWaalsContact O-CA 3.31Å; P35-A452 WeakPolarHBondContact O-CA 3.26Å; P35-V453 PolarHBondContact O-N 2.89Å; P35-R454 HydrophobicContact CB-CG 4.21Å; P35-T456 HydrophobicContact CB-CG2 3.6Å; P35-T456 HydrophobicContact CG-CG2 3.81Å; P35-I458 VanDerWaalsContact CD-CD1 3.44Å; P35-I458 HydrophobicContact CG-CD1 3.86Å; P35-I463 HydrophobicContact CG-CD1 3.86Å; P35-M469 HydrophobicContact CG-CE 4.14Å; P35-M469 HydrophobicContact CG-SD 3.89Å; P35-I476 HydrophobicContact CG-CD1 3.84Å
36V83.1Confident88.6Confident6 Ų629.3 Ų29.34%0.03617%0.167CC..SBendtrans-100.7154.8-179.3-84.40000110Y34 D38 G39 T450 M469Y34-V36 HydrophobicContact CD1-CG2 4.18Å; Y34-V36 HydrophobicContact CG-CG2 4.38Å; Y34-V36 PolarHBondContact O-N 3.05Å; Y34-V36 VanDerWaalsContact O-N 3.09Å; V36-D38 VanDerWaalsContact CB-OD1 3.27Å; V36-D38 WeakPolarHBondContact CB-OD1 3.39Å; V36-D38 WeakPolarHBondContact CG2-OD1 3.29Å; V36-D38 PolarHBondContact O-N 2.94Å; V36-G39 PolarHBondContact O-N 2.88Å; V36-T450 HydrophobicContact CG1-CG2 3.43Å; V36-T450 VanDerWaalsContact CG1-CG2 3.43Å; V36-M469 HydrophobicContact CG1-CE 3.58Å
37P73.6Confident88.6Confident34 Ų3425.7 Ų25.722%0.22115%0.147CC..THydrogen-bonded Turntrans-63.9-5-177.4-20.431.7000115.2Y451 V453 I540P37-Y451 HydrophobicContact CG-CD2 4.14Å; P37-Y451 HydrophobicContact CG-CE1 4.05Å; P37-Y451 HydrophobicContact CG-CE2 3.5Å; P37-Y451 VanDerWaalsContact CG-CZ 3.45Å; P37-V453 HydrophobicContact CB-CG1 3.88Å; P37-V453 HydrophobicContact CG-CG1 3.57Å; P37-I540 HydrophobicContact CB-CD1 4.34Å; P37-I540 HydrophobicContact CB-CG1 4.44Å; P37-I540 HydrophobicContact CB-CG2 4.08Å; P37-I540 HydrophobicContact CG-CG2 3.73Å
38D71.4Confident88.5Confident14 Ų1422.1 Ų22.18%0.07513%0.128CC..THydrogen-bonded Turntrans-96.414.6-17667.7-9.5000115V36 D40 Q361 T362 Y541V36-D38 VanDerWaalsContact CB-OD1 3.27Å; V36-D38 WeakPolarHBondContact CB-OD1 3.39Å; V36-D38 WeakPolarHBondContact CG2-OD1 3.29Å; V36-D38 PolarHBondContact O-N 2.94Å; D38-D40 VanDerWaalsContact C-N 3.3Å; D38-D40 PolarHBondContact O-N 3.32Å; D38-Q361 HydrophobicContact CB-CB 3.33Å; D38-Q361 HydrophobicContact CB-CG 4.33Å; D38-Q361 WeakPolarHBondContact OD2-CB 3.27Å; D38-Q361 PolarHBondContact OD2-OE1 3.08Å; D38-T362 HydrophobicContact CB-CG2 4.13Å; D38-Y541 PolarHBondContact OD2-OH 2.94Å; D38-Y541 VanDerWaalsContact OD2-OH 3.12Å
39G80.8Confident88.6Confident19 Ų1922.1 Ų22.120%0.19613%0.128CC..  trans-64.886.9173.200000112D29 N32 V36D29-G39 WeakPolarHBondContact CB-O 3.35Å; N32-G39 WeakPolarHBondContact ND2-CA 3.13Å; V36-G39 PolarHBondContact O-N 2.88Å
40D87.6Confident88.6Confident11 Ų1122.3 Ų22.36%0.05913%0.131CC..  trans-119.923.4-167.572.8-9.3000113.7D29 D38 T43 N44 Q361 N364D29-D40 VanDerWaalsContact OD1-CA 3.29Å; D29-D40 WeakPolarHBondContact OD1-CA 3.46Å; D38-D40 VanDerWaalsContact C-N 3.3Å; D38-D40 PolarHBondContact O-N 3.32Å; D40-T43 PolarHBondContact O-N 3.42Å; D40-N44 VanDerWaalsContact O-CB 3.31Å; D40-N44 WeakPolarHBondContact O-CB 3.42Å; D40-N44 PolarHBondContact O-N 3.17Å; D40-N44 PolarHBondContact O-ND2 2.85Å; D40-N44 VanDerWaalsContact O-ND2 3.16Å; D40-N44 PolarHBondContact OD1-ND2 3.32Å; D40-N44 PolarHBondContact OD2-ND2 3.4Å; D40-Q361 VanDerWaalsContact OD2-O 3.13Å; D40-N364 PolarHBondContact OD2-ND2 3.12Å
41T92.8Very high88.5Confident14 Ų1420.9 Ų20.99%0.08612%0.12CC..Hα-helixtrans-56.3-53.4-178.1-56.20000112.8V28 D29 N32 M45 S83 S186V28-T41 HydrophobicContact CG1-CG2 4.16Å; D29-T41 PolarHBondContact OD1-N 3.15Å; N32-T41 PolarHBondContact ND2-OG1 3.18Å; T41-M45 HydrophobicContact CG2-SD 4.14Å; T41-M45 WeakPolarHBondContact O-CB 3.45Å; T41-M45 VanDerWaalsContact O-CG 3.23Å; T41-M45 WeakPolarHBondContact O-CG 3.19Å; T41-M45 PolarHBondContact O-N 3.47Å; T41-S83 WeakPolarHBondContact CG2-OG 3.35Å; T41-S186 WeakPolarHBondContact CG2-OG 3.18Å; T41-S186 PolarHBondContact OG1-OG 2.97Å
42G94.4Very high88.4Confident0 Ų019.5 Ų19.50%011%0.113CC..Hα-helixtrans-63.7-44.6177.800000112V28 D29 M45 N46V28-G42 VanDerWaalsContact CG1-CA 3.42Å; D29-G42 VanDerWaalsContact OD1-CA 3.25Å; D29-G42 WeakPolarHBondContact OD1-CA 3.37Å; D29-G42 PolarHBondContact OD1-N 3.21Å; G42-M45 PolarHBondContact O-N 3.03Å; G42-N46 WeakPolarHBondContact O-CB 3.45Å; G42-N46 PolarHBondContact O-N 3.23Å
43T92.1Very high88.8Confident50 Ų5020.8 Ų20.831%0.30712%0.116SC..Hα-helixtrans-56.6-51.9173.9-69.30000111.7D29 D40 M45 N46 L47D29-T43 PolarHBondContact OD1-N 3.43Å; D29-T43 VanDerWaalsContact OD1-N 3.17Å; D29-T43 PolarHBondContact OD2-N 3.2Å; D29-T43 VanDerWaalsContact OD2-N 3.13Å; D29-T43 PolarHBondContact OD2-OG1 2.91Å; D40-T43 PolarHBondContact O-N 3.42Å; T43-M45 PolarHBondContact O-N 2.82Å; T43-N46 PolarHBondContact O-N 3.25Å; T43-L47 HydrophobicContact CG2-CD1 3.97Å; T43-L47 WeakPolarHBondContact O-CG 3.36Å; T43-L47 PolarHBondContact O-N 3.18Å
44N91.9Very high89.1Confident4 Ų424.1 Ų24.12%0.02113%0.131CC..Hα-helixtrans-64.3-42179.4-78.1-39.7000113.4D40 N46 T48 R80 N364D40-N44 VanDerWaalsContact O-CB 3.31Å; D40-N44 WeakPolarHBondContact O-CB 3.42Å; D40-N44 PolarHBondContact O-N 3.17Å; D40-N44 PolarHBondContact O-ND2 2.85Å; D40-N44 VanDerWaalsContact O-ND2 3.16Å; D40-N44 PolarHBondContact OD1-ND2 3.32Å; D40-N44 PolarHBondContact OD2-ND2 3.4Å; N44-N46 VanDerWaalsContact C-N 3.35Å; N44-T48 WeakPolarHBondContact O-CB 3.28Å; N44-T48 PolarHBondContact O-N 3.25Å; N44-T48 PolarHBondContact O-OG1 3.34Å; N44-R80 HydrophobicContact CB-CB 4.13Å; N44-R80 WeakPolarHBondContact OD1-CB 3.29Å; N44-N364 PolarHBondContact ND2-ND2 2.93Å
45M96.3Very high89.3Confident0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-64.6-40.4175.1-72.8-177.57500111.5L21 T41 G42 T43 T48 M49 L87 I132L21-M45 HydrophobicContact CD2-CB 4.01Å; T41-M45 HydrophobicContact CG2-SD 4.14Å; T41-M45 WeakPolarHBondContact O-CB 3.45Å; T41-M45 VanDerWaalsContact O-CG 3.23Å; T41-M45 WeakPolarHBondContact O-CG 3.19Å; T41-M45 PolarHBondContact O-N 3.47Å; G42-M45 PolarHBondContact O-N 3.03Å; T43-M45 PolarHBondContact O-N 2.82Å; M45-T48 PolarHBondContact O-N 3.16Å; M45-M49 VanDerWaalsContact O-CB 3.31Å; M45-M49 WeakPolarHBondContact O-CB 3.14Å; M45-M49 PolarHBondContact O-N 2.86Å; M45-L87 HydrophobicContact CB-CD2 4.48Å; M45-L87 HydrophobicContact CE-CB 4.4Å; M45-L87 HydrophobicContact CE-CD1 4.13Å; M45-L87 HydrophobicContact CE-CD2 3.96Å; M45-L87 HydrophobicContact CE-CG 4.4Å; M45-I132 HydrophobicContact CE-CD1 3.89Å
46N96.3Very high89.7Confident29 Ų2923.9 Ų23.916%0.15513%0.132CC..Hα-helixtrans-64.4-47177.9178.844.8000111.6L21 S22 A25 G42 T43 N44 T48 M49 T50L21-N46 HydrophobicContact CG-CB 4.48Å; S22-N46 VanDerWaalsContact CA-OD1 3.25Å; S22-N46 WeakPolarHBondContact CA-OD1 3.2Å; S22-N46 VanDerWaalsContact CB-OD1 3.25Å; S22-N46 WeakPolarHBondContact CB-OD1 3.48Å; A25-N46 HydrophobicContact CB-CB 4.1Å; G42-N46 WeakPolarHBondContact O-CB 3.45Å; G42-N46 PolarHBondContact O-N 3.23Å; T43-N46 PolarHBondContact O-N 3.25Å; N44-N46 VanDerWaalsContact C-N 3.35Å; N46-T48 VanDerWaalsContact C-N 3.32Å; N46-T48 PolarHBondContact O-N 2.94Å; N46-M49 PolarHBondContact O-N 3.08Å; N46-T50 WeakPolarHBondContact O-CB 3.37Å; N46-T50 PolarHBondContact O-N 2.73Å; N46-T50 PolarHBondContact O-OG1 2.75Å; N46-T50 PolarHBondContact OD1-OG1 2.92Å
47L92.8Very high90.2Very high56 Ų5626.9 Ų26.929%0.29315%0.145SC..Hα-helixtrans-60.6-42.6176-70.6168.4000111.6T43 T50 S51T43-L47 HydrophobicContact CG2-CD1 3.97Å; T43-L47 WeakPolarHBondContact O-CG 3.36Å; T43-L47 PolarHBondContact O-N 3.18Å; L47-T50 PolarHBondContact O-N 3.24Å; L47-S51 PolarHBondContact O-N 3.13Å; L47-S51 PolarHBondContact O-OG 2.76Å
48T92.3Very high91Very high0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-59.8-51.9175.3-58.10000111N44 M45 N46 T50 S51 G52 L75 G78 A79 R80N44-T48 WeakPolarHBondContact O-CB 3.28Å; N44-T48 PolarHBondContact O-N 3.25Å; N44-T48 PolarHBondContact O-OG1 3.34Å; M45-T48 PolarHBondContact O-N 3.16Å; N46-T48 VanDerWaalsContact C-N 3.32Å; N46-T48 PolarHBondContact O-N 2.94Å; T48-T50 VanDerWaalsContact C-N 3.35Å; T48-T50 PolarHBondContact O-N 3.46Å; T48-S51 WeakPolarHBondContact O-CB 3.06Å; T48-S51 PolarHBondContact O-N 2.9Å; T48-G52 PolarHBondContact O-N 2.86Å; T48-L75 HydrophobicContact CG2-CD2 4.08Å; T48-L75 WeakPolarHBondContact O-CD2 3.39Å; T48-G78 WeakPolarHBondContact CA-O 3.34Å; T48-G78 PolarHBondContact OG1-O 2.88Å; T48-A79 HydrophobicContact CG2-CB 4.25Å; T48-A79 WeakPolarHBondContact OG1-CA 3.47Å; T48-R80 PolarHBondContact OG1-N 3.26Å; T48-R80 VanDerWaalsContact OG1-N 3.16Å
49M97.7Very high91.9Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-67-35.5-178.1-170.765.3-168.400112.4I14 A18 L21 M45 N46 G52 R53 F71 L75 L87 V194 F198I14-M49 HydrophobicContact CG2-CE 4.06Å; I14-M49 WeakPolarHBondContact O-CE 3.38Å; A18-M49 HydrophobicContact CB-CE 4.08Å; A18-M49 HydrophobicContact CB-CG 3.67Å; L21-M49 HydrophobicContact CD2-CB 3.85Å; L21-M49 HydrophobicContact CD2-CG 4.27Å; M45-M49 VanDerWaalsContact O-CB 3.31Å; M45-M49 WeakPolarHBondContact O-CB 3.14Å; M45-M49 PolarHBondContact O-N 2.86Å; N46-M49 PolarHBondContact O-N 3.08Å; M49-G52 PolarHBondContact O-N 2.62Å; M49-R53 PolarHBondContact O-N 3.02Å; M49-F71 HydrophobicContact CE-CE2 3.89Å; M49-F71 HydrophobicContact CE-CZ 3.62Å; M49-F71 HydrophobicContact SD-CE2 4Å; M49-F71 HydrophobicContact SD-CZ 3.76Å; M49-L75 HydrophobicContact SD-CD2 4.05Å; M49-L87 HydrophobicContact CB-CD2 4.38Å; M49-V194 HydrophobicContact CE-CG1 4.11Å; M49-V194 HydrophobicContact SD-CG1 4.46Å; M49-F198 HydrophobicContact CE-CE1 4.31Å
50T94.4Very high92.5Very high30 Ų3039.1 Ų39.118%0.18420%0.204CC..Hα-helixtrans-63.2-43.8175.5-63.90000110.9N46 L47 T48 G52 R53 E54N46-T50 WeakPolarHBondContact O-CB 3.37Å; N46-T50 PolarHBondContact O-N 2.73Å; N46-T50 PolarHBondContact O-OG1 2.75Å; N46-T50 PolarHBondContact OD1-OG1 2.92Å; L47-T50 PolarHBondContact O-N 3.24Å; T48-T50 VanDerWaalsContact C-N 3.35Å; T48-T50 PolarHBondContact O-N 3.46Å; T50-G52 VanDerWaalsContact C-N 3.3Å; T50-G52 PolarHBondContact O-N 3.2Å; T50-R53 WeakPolarHBondContact O-CB 3.41Å; T50-R53 PolarHBondContact O-N 3.08Å; T50-R53 VanDerWaalsContact O-N 3.13Å; T50-E54 HydrophobicContact CG2-CG 4.32Å; T50-E54 WeakPolarHBondContact CG2-OE1 3.45Å; T50-E54 WeakPolarHBondContact O-CG 3.46Å; T50-E54 PolarHBondContact O-N 3.21Å
51S89Confident92.7Very high35 Ų3540 Ų4025%0.24521%0.211CC..Hα-helixtrans-59.1-42.1174.8-54.70000111.8L47 T48 E55 G78L47-S51 PolarHBondContact O-N 3.13Å; L47-S51 PolarHBondContact O-OG 2.76Å; T48-S51 WeakPolarHBondContact O-CB 3.06Å; T48-S51 PolarHBondContact O-N 2.9Å; S51-E55 WeakPolarHBondContact O-CB 3.41Å; S51-E55 PolarHBondContact O-N 3.37Å; S51-G78 WeakPolarHBondContact OG-CA 3.44Å
52G90.6Very high92.7Very high0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-63.5-43.1173.400000113.5T48 M49 T50 V56T48-G52 PolarHBondContact O-N 2.86Å; M49-G52 PolarHBondContact O-N 2.62Å; T50-G52 VanDerWaalsContact C-N 3.3Å; T50-G52 PolarHBondContact O-N 3.2Å; G52-V56 WeakPolarHBondContact O-CG2 3.34Å; G52-V56 PolarHBondContact O-N 3.09Å
53R96.5Very high92.9Very high52 Ų5250.1 Ų50.120%0.19626%0.256CS..Hα-helixtrans-61.7-48177.2177.7-166.367.293.65.3111.6I14 I15 A18 M49 T50 E55 V56 E57I14-R53 HydrophobicContact CG2-CB 4.37Å; I15-R53 HydrophobicContact CG1-CG 4.12Å; A18-R53 HydrophobicContact CB-CB 3.86Å; A18-R53 HydrophobicContact CB-CG 4.14Å; M49-R53 PolarHBondContact O-N 3.02Å; T50-R53 WeakPolarHBondContact O-CB 3.41Å; T50-R53 PolarHBondContact O-N 3.08Å; T50-R53 VanDerWaalsContact O-N 3.13Å; R53-E55 PolarHBondContact O-N 3.12Å; R53-V56 WeakPolarHBondContact O-CB 3.46Å; R53-V56 PolarHBondContact O-N 2.84Å; R53-V56 VanDerWaalsContact O-N 3.17Å; R53-E57 HydrophobicContact CG-CG 4.34Å; R53-E57 IonicContact CZ-OE1 2.82Å; R53-E57 IonicContact CZ-OE2 2.8Å; R53-E57 IonicContact NH1-OE1 3.97Å; R53-E57 PolarHBondContact NH1-OE1 3.12Å; R53-E57 IonicContact NH1-OE2 2.71Å; R53-E57 PolarHBondContact NH1-OE2 2.8Å; R53-E57 WeakPolarHBondContact O-CG 3.38Å; R53-E57 PolarHBondContact O-N 3.2Å
54E91Very high93.1Very high90 Ų9047.8 Ų47.842%0.42124%0.241SC..Hα-helixtrans-63.3-42.2-177.9-73.3174.3179.400111.6T50 V56 E57 N58T50-E54 HydrophobicContact CG2-CG 4.32Å; T50-E54 WeakPolarHBondContact CG2-OE1 3.45Å; T50-E54 WeakPolarHBondContact O-CG 3.46Å; T50-E54 PolarHBondContact O-N 3.21Å; E54-V56 VanDerWaalsContact C-N 3.25Å; E54-V56 PolarHBondContact O-N 2.94Å; E54-E57 PolarHBondContact O-N 3.32Å; E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 VanDerWaalsContact O-CG 3.29Å; E54-N58 PolarHBondContact O-N 3.33Å; E54-N58 PolarHBondContact O-ND2 2.9Å; E54-N58 VanDerWaalsContact O-ND2 3.16Å
55E87.9Confident93.4Very high58 Ų5847.6 Ų47.627%0.27124%0.24SC..Hα-helixtrans-61.4-36.9176-170.655-161.400111.4S51 R53 N59 T70S51-E55 WeakPolarHBondContact O-CB 3.41Å; S51-E55 PolarHBondContact O-N 3.37Å; R53-E55 PolarHBondContact O-N 3.12Å; E55-N59 WeakPolarHBondContact O-CB 3.36Å; E55-N59 PolarHBondContact O-N 3.35Å; E55-N59 PolarHBondContact O-ND2 3.39Å; E55-N59 PolarHBondContact OE1-ND2 2.94Å; E55-T70 HydrophobicContact CB-CG2 4.36Å; E55-T70 HydrophobicContact CG-CG2 3.69Å; E55-T70 WeakPolarHBondContact CG-O 3.47Å; E55-T70 WeakPolarHBondContact O-CG2 3.49Å
56V92.4Very high93.5Very high0 Ų052.7 Ų52.70%026%0.264CS..Hα-helixtrans-69.5-44.8174.7163.30000112.6A11 I14 G52 R53 E54 N58 N59 L60 L67 T70 F71A11-V56 HydrophobicContact CB-CG1 4.04Å; I14-V56 HydrophobicContact CD1-CG1 4.43Å; I14-V56 HydrophobicContact CD1-CG2 4.02Å; I14-V56 HydrophobicContact CG2-CG2 4.4Å; G52-V56 WeakPolarHBondContact O-CG2 3.34Å; G52-V56 PolarHBondContact O-N 3.09Å; R53-V56 WeakPolarHBondContact O-CB 3.46Å; R53-V56 PolarHBondContact O-N 2.84Å; R53-V56 VanDerWaalsContact O-N 3.17Å; E54-V56 VanDerWaalsContact C-N 3.25Å; E54-V56 PolarHBondContact O-N 2.94Å; V56-N58 VanDerWaalsContact C-N 3.31Å; V56-N58 PolarHBondContact O-N 2.89Å; V56-N59 CarbonylContact O-C 3.52Å; V56-N59 PolarHBondContact O-N 2.94Å; V56-L60 WeakPolarHBondContact O-CD2 3.27Å; V56-L60 PolarHBondContact O-N 2.97Å; V56-L67 HydrophobicContact CB-CD1 4.46Å; V56-L67 HydrophobicContact CG1-CD1 3.94Å; V56-L67 HydrophobicContact CG1-CD2 4.25Å; V56-L67 HydrophobicContact CG1-CG 4.25Å; V56-L67 HydrophobicContact CG2-CD1 4.33Å; V56-L67 HydrophobicContact CG2-CG 4.42Å; V56-T70 HydrophobicContact CG2-CG2 4.29Å; V56-F71 HydrophobicContact CG2-CB 3.55Å; V56-F71 HydrophobicContact CG2-CD2 4Å; V56-F71 HydrophobicContact CG2-CG 4.15Å
57E92.9Very high93.5Very high69 Ų6951.3 Ų51.332%0.32226%0.257SS..Hα-helixtrans-63.3-38.2178.6-75.7176.117200111.7I15 R53 E54 N59I15-E57 HydrophobicContact CD1-CG 4.02Å; I15-E57 HydrophobicContact CG1-CG 4.12Å; R53-E57 HydrophobicContact CG-CG 4.34Å; R53-E57 IonicContact CZ-OE1 2.82Å; R53-E57 IonicContact CZ-OE2 2.8Å; R53-E57 IonicContact NH1-OE1 3.97Å; R53-E57 PolarHBondContact NH1-OE1 3.12Å; R53-E57 IonicContact NH1-OE2 2.71Å; R53-E57 PolarHBondContact NH1-OE2 2.8Å; R53-E57 WeakPolarHBondContact O-CG 3.38Å; R53-E57 PolarHBondContact O-N 3.2Å; E54-E57 PolarHBondContact O-N 3.32Å; E57-N59 VanDerWaalsContact C-N 3.34Å
58N89.7Confident93.8Very high129 Ų12948.7 Ų48.769%0.6924%0.243SC*.Hα-helixtrans-75.1-22.8177.7-70.2-31.7000113.2E54 V56E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 VanDerWaalsContact O-CG 3.29Å; E54-N58 PolarHBondContact O-N 3.33Å; E54-N58 PolarHBondContact O-ND2 2.9Å; E54-N58 VanDerWaalsContact O-ND2 3.16Å; V56-N58 VanDerWaalsContact C-N 3.31Å; V56-N58 PolarHBondContact O-N 2.89Å
59N90.7Very high93.9Very high76 Ų7654 Ų5441%0.40627%0.266SS..THydrogen-bonded Turntrans-131.652.5-174.3-57.4-84.2000112.4E55 V56 E57 S61 T70E55-N59 WeakPolarHBondContact O-CB 3.36Å; E55-N59 PolarHBondContact O-N 3.35Å; E55-N59 PolarHBondContact O-ND2 3.39Å; E55-N59 PolarHBondContact OE1-ND2 2.94Å; V56-N59 CarbonylContact O-C 3.52Å; V56-N59 PolarHBondContact O-N 2.94Å; E57-N59 VanDerWaalsContact C-N 3.34Å; N59-S61 PolarHBondContact O-N 3.4Å; N59-T70 HydrophobicContact CB-CG2 3.75Å
60L93Very high93.8Very high119 Ų11955.3 Ų55.362%0.62327%0.274SS*.  trans-58.9131.1179.3-68.4172000112.3A11 V56A11-L60 HydrophobicContact CB-CD2 3.89Å; V56-L60 WeakPolarHBondContact O-CD2 3.27Å; V56-L60 PolarHBondContact O-N 2.97Å
61S92.9Very high93.9Very high29 Ų2953.9 Ų53.920%0.20327%0.265CS..  trans-129.8149.5171.3-177.20000111.4G7 N59 N63 E66G7-S61 CarbonylContact C-O 3.44Å; G7-S61 WeakPolarHBondContact CA-O 2.96Å; N59-S61 PolarHBondContact O-N 3.4Å; S61-N63 VanDerWaalsContact C-N 3.32Å; S61-N63 PolarHBondContact OG-N 3.19Å; S61-N63 VanDerWaalsContact OG-N 3.09Å; S61-E66 PolarHBondContact OG-OE2 2.9Å
62K92.9Very high94.2Very high185 Ų18553.1 Ų53.180%0.80426%0.26SS*.SBendtrans-78.1-21.5170.4-65.6-175.6-178.3176.60112G7G7-K62 WeakPolarHBondContact CA-O 3.35Å; G7-K62 PolarHBondContact N-O 2.73Å
63N96.9Very high94.2Very high42 Ų4259 Ų5923%0.22529%0.285CS..SBendtrans-84.7123.5177.1-179.4-64.3000109.2S61 G65 E66 L67 E101S61-N63 VanDerWaalsContact C-N 3.32Å; S61-N63 PolarHBondContact OG-N 3.19Å; S61-N63 VanDerWaalsContact OG-N 3.09Å; N63-G65 WeakPolarHBondContact OD1-CA 3.41Å; N63-G65 PolarHBondContact OD1-N 3.01Å; N63-E66 HydrophobicContact CB-CB 4.13Å; N63-E66 HydrophobicContact CB-CG 4.02Å; N63-E66 PolarHBondContact OD1-N 3.12Å; N63-L67 PolarHBondContact O-N 3.33Å; N63-L67 VanDerWaalsContact O-N 3.15Å; N63-E101 PolarHBondContact OD1-O 2.92Å; N63-E101 VanDerWaalsContact OD1-O 3.06Å
64I98Very high93.8Very high0 Ų056.8 Ų56.80%028%0.279CS..Hα-helixtrans-69.3-35.5-175.8-160-177.6000112.8I5 F10 L67 G68 I98 E101 S102 I104I5-I64 HydrophobicContact CB-CD1 4.45Å; I5-I64 HydrophobicContact CG2-CD1 3.92Å; F10-I64 HydrophobicContact CB-CD1 3.84Å; F10-I64 HydrophobicContact CB-CG1 3.69Å; F10-I64 HydrophobicContact CD1-CD1 4.13Å; F10-I64 HydrophobicContact CD1-CG1 3.53Å; F10-I64 HydrophobicContact CD2-CD1 4.38Å; F10-I64 HydrophobicContact CE1-CG1 4.31Å; F10-I64 HydrophobicContact CG-CD1 3.88Å; F10-I64 HydrophobicContact CG-CG1 3.72Å; I64-L67 PolarHBondContact O-N 3.31Å; I64-G68 PolarHBondContact O-N 2.95Å; I64-I98 HydrophobicContact CD1-CD1 4.03Å; I64-I98 HydrophobicContact CG1-CD1 3.94Å; I64-I98 HydrophobicContact CG2-CD1 4.5Å; I64-E101 HydrophobicContact CG2-CB 4.35Å; I64-E101 WeakPolarHBondContact CG2-O 3.46Å; I64-S102 PolarHBondContact N-O 3.07Å; I64-I104 HydrophobicContact CD1-CD1 3.71Å; I64-I104 HydrophobicContact CD1-CG1 3.73Å; I64-I104 HydrophobicContact CD1-CG2 4.28Å; I64-I104 HydrophobicContact CG2-CG2 4.01Å
65G97.8Very high93.8Very high0 Ų052.5 Ų52.50%026%0.259CS..Hα-helixtrans-66.8-41.3177.400000113.1N63 G68 K69 I98 E101N63-G65 WeakPolarHBondContact OD1-CA 3.41Å; N63-G65 PolarHBondContact OD1-N 3.01Å; G65-G68 PolarHBondContact O-N 3.41Å; G65-K69 WeakPolarHBondContact O-CG 3.43Å; G65-K69 PolarHBondContact O-N 3.47Å; G65-K69 VanDerWaalsContact O-N 3.07Å; G65-I98 WeakPolarHBondContact CA-O 3.42Å; G65-E101 PolarHBondContact N-O 2.87Å
66E97.2Very high93.9Very high108 Ų10850.9 Ų50.951%0.50525%0.252SS..Hα-helixtrans-61.1-48.3172.4-71.2176.1-179.100111.2S61 N63 G68 K69 T70S61-E66 PolarHBondContact OG-OE2 2.9Å; N63-E66 HydrophobicContact CB-CB 4.13Å; N63-E66 HydrophobicContact CB-CG 4.02Å; N63-E66 PolarHBondContact OD1-N 3.12Å; E66-G68 VanDerWaalsContact C-N 3.31Å; E66-G68 PolarHBondContact O-N 3.28Å; E66-K69 WeakPolarHBondContact O-CB 3.45Å; E66-K69 PolarHBondContact O-N 2.95Å; E66-T70 PolarHBondContact O-N 3.29Å; E66-T70 PolarHBondContact O-OG1 2.98Å
67L97.7Very high93.8Very high0 Ų053 Ų530%026%0.263CS..Hα-helixtrans-64.8-36.5178.7-163.868.5000112.2G7 F10 A11 V56 N63 I64 K69 T70 F71G7-L67 WeakPolarHBondContact O-CD2 3.27Å; F10-L67 HydrophobicContact CB-CD2 4.49Å; F10-L67 HydrophobicContact CD1-CD2 4.18Å; A11-L67 HydrophobicContact CB-CD2 3.63Å; V56-L67 HydrophobicContact CB-CD1 4.46Å; V56-L67 HydrophobicContact CG1-CD1 3.94Å; V56-L67 HydrophobicContact CG1-CD2 4.25Å; V56-L67 HydrophobicContact CG1-CG 4.25Å; V56-L67 HydrophobicContact CG2-CD1 4.33Å; V56-L67 HydrophobicContact CG2-CG 4.42Å; N63-L67 PolarHBondContact O-N 3.33Å; N63-L67 VanDerWaalsContact O-N 3.15Å; I64-L67 PolarHBondContact O-N 3.31Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.47Å; L67-T70 WeakPolarHBondContact O-CB 3.27Å; L67-T70 PolarHBondContact O-N 2.8Å; L67-F71 WeakPolarHBondContact O-CB 3.47Å; L67-F71 PolarHBondContact O-N 3.49Å
68G97.8Very high93.5Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-62.8-37.9174.600000112.6I64 G65 E66 F71 S72 C95I64-G68 PolarHBondContact O-N 2.95Å; G65-G68 PolarHBondContact O-N 3.41Å; E66-G68 VanDerWaalsContact C-N 3.31Å; E66-G68 PolarHBondContact O-N 3.28Å; G68-F71 PolarHBondContact O-N 3.3Å; G68-S72 VanDerWaalsContact O-CB 3.23Å; G68-S72 WeakPolarHBondContact O-CB 3.4Å; G68-S72 PolarHBondContact O-N 3.49Å; G68-C95 VanDerWaalsContact O-CB 3.29Å; G68-C95 WeakPolarHBondContact O-CB 3.42Å; G68-C95 PolarHBondContact O-SG 2.86Å
69K95.7Very high93.6Very high112 Ų11243.7 Ų43.749%0.48722%0.215SC..Hα-helixtrans-63.1-45.8173.3-72176.1-174.7176.80111.5G65 E66 L67 K73G65-K69 WeakPolarHBondContact O-CG 3.43Å; G65-K69 PolarHBondContact O-N 3.47Å; G65-K69 VanDerWaalsContact O-N 3.07Å; E66-K69 WeakPolarHBondContact O-CB 3.45Å; E66-K69 PolarHBondContact O-N 2.95Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.47Å; K69-K73 WeakPolarHBondContact O-CB 3.24Å; K69-K73 PolarHBondContact O-N 3.27Å
70T94.6Very high93.5Very high28 Ų2842.3 Ų42.317%0.17221%0.205CC..Hα-helixtrans-56.8-52.7174.7-63.50000111.1E55 V56 N59 E66 L67 S72 K73 G74E55-T70 HydrophobicContact CB-CG2 4.36Å; E55-T70 HydrophobicContact CG-CG2 3.69Å; E55-T70 WeakPolarHBondContact CG-O 3.47Å; E55-T70 WeakPolarHBondContact O-CG2 3.49Å; V56-T70 HydrophobicContact CG2-CG2 4.29Å; N59-T70 HydrophobicContact CB-CG2 3.75Å; E66-T70 PolarHBondContact O-N 3.29Å; E66-T70 PolarHBondContact O-OG1 2.98Å; L67-T70 WeakPolarHBondContact O-CB 3.27Å; L67-T70 PolarHBondContact O-N 2.8Å; T70-S72 PolarHBondContact O-N 2.82Å; T70-K73 PolarHBondContact O-N 2.95Å; T70-G74 PolarHBondContact O-N 3.09Å
71F97.3Very high93.4Very high0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-59.5-49.7179-179.8-133.5000112.4F10 I14 M49 V56 L67 G68 K73 G74 L75 F91F10-F71 HydrophobicContact CZ-CD1 4.3Å; I14-F71 HydrophobicContact CB-CE2 4.48Å; I14-F71 HydrophobicContact CD1-CB 3.9Å; I14-F71 HydrophobicContact CD1-CD1 3.69Å; I14-F71 HydrophobicContact CD1-CD2 3.92Å; I14-F71 HydrophobicContact CD1-CE1 4.14Å; I14-F71 HydrophobicContact CD1-CE2 4.37Å; I14-F71 HydrophobicContact CD1-CG 3.56Å; I14-F71 HydrophobicContact CD1-CZ 4.46Å; I14-F71 HydrophobicContact CG1-CD1 4.1Å; I14-F71 HydrophobicContact CG1-CD2 4.23Å; I14-F71 HydrophobicContact CG1-CE1 4.02Å; I14-F71 HydrophobicContact CG1-CE2 4.17Å; I14-F71 HydrophobicContact CG1-CG 4.2Å; I14-F71 HydrophobicContact CG1-CZ 4.05Å; I14-F71 HydrophobicContact CG2-CD2 3.74Å; I14-F71 HydrophobicContact CG2-CE2 3.53Å; I14-F71 HydrophobicContact CG2-CG 4.5Å; I14-F71 HydrophobicContact CG2-CZ 4.11Å; M49-F71 HydrophobicContact CE-CE2 3.89Å; M49-F71 HydrophobicContact CE-CZ 3.62Å; M49-F71 HydrophobicContact SD-CE2 4Å; M49-F71 HydrophobicContact SD-CZ 3.76Å; V56-F71 HydrophobicContact CG2-CB 3.55Å; V56-F71 HydrophobicContact CG2-CD2 4Å; V56-F71 HydrophobicContact CG2-CG 4.15Å; L67-F71 WeakPolarHBondContact O-CB 3.47Å; L67-F71 PolarHBondContact O-N 3.49Å; G68-F71 PolarHBondContact O-N 3.3Å; F71-K73 VanDerWaalsContact C-N 3.27Å; F71-K73 PolarHBondContact O-N 3.25Å; F71-G74 PolarHBondContact O-N 2.92Å; F71-L75 HydrophobicContact CD1-CD1 4.16Å; F71-L75 HydrophobicContact CD2-CD1 4.23Å; F71-L75 HydrophobicContact CD2-CG 4.03Å; F71-L75 HydrophobicContact CE1-CD1 3.66Å; F71-L75 HydrophobicContact CE1-CG 4.47Å; F71-L75 HydrophobicContact CE2-CD1 3.73Å; F71-L75 HydrophobicContact CE2-CD2 3.78Å; F71-L75 HydrophobicContact CE2-CG 3.65Å; F71-L75 HydrophobicContact CG-CD1 4.43Å; F71-L75 HydrophobicContact CZ-CD1 3.43Å; F71-L75 VanDerWaalsContact CZ-CD1 3.43Å; F71-L75 HydrophobicContact CZ-CD2 4.08Å; F71-L75 HydrophobicContact CZ-CG 3.91Å; F71-L75 WeakPolarHBondContact O-CG 3.45Å; F71-L75 PolarHBondContact O-N 2.86Å; F71-F91 HydrophobicContact CD1-CB 4.46Å; F71-F91 HydrophobicContact CE1-CB 3.86Å; F71-F91 AromaticContact CE1-CD1 3.77Å; F71-F91 HydrophobicContact CE1-CD1 3.77Å; F71-F91 HydrophobicContact CE1-CD2 4.12Å; F71-F91 HydrophobicContact CE1-CE1 4.36Å; F71-F91 AromaticContact CE1-CG 3.65Å; F71-F91 HydrophobicContact CE1-CG 3.65Å; F71-F91 HydrophobicContact CZ-CD2 4.18Å; F71-F91 HydrophobicContact CZ-CG 4.17Å
72S94.5Very high93.3Very high19 Ų1937.8 Ų37.813%0.13318%0.179CC..Hα-helixtrans-60.5-37.3178.8177.60000112.1G68 T70 L76 R92G68-S72 VanDerWaalsContact O-CB 3.23Å; G68-S72 WeakPolarHBondContact O-CB 3.4Å; G68-S72 PolarHBondContact O-N 3.49Å; T70-S72 PolarHBondContact O-N 2.82Å; S72-L76 VanDerWaalsContact O-CB 3.23Å; S72-L76 WeakPolarHBondContact O-CB 3.45Å; S72-L76 PolarHBondContact O-N 2.86Å; S72-R92 WeakPolarHBondContact OG-CA 2.99Å
73K89.9Confident93.4Very high122 Ų12230 Ų3053%0.5315%0.148SC..Hα-helixtrans-67.2-46.1176.3-175-173.4175-164.30111.1K69 T70 F71 L75 L76 M77K69-K73 WeakPolarHBondContact O-CB 3.24Å; K69-K73 PolarHBondContact O-N 3.27Å; T70-K73 PolarHBondContact O-N 2.95Å; F71-K73 VanDerWaalsContact C-N 3.27Å; F71-K73 PolarHBondContact O-N 3.25Å; K73-L75 PolarHBondContact O-N 3.09Å; K73-L76 PolarHBondContact O-N 3.48Å; K73-M77 WeakPolarHBondContact O-CG 3.09Å; K73-M77 PolarHBondContact O-N 3.17Å
74G88.3Confident93.3Very high7 Ų728 Ų287%0.07214%0.137CC..Hα-helixtrans-60.8-43.4177.600000112.5T70 F71 G78T70-G74 PolarHBondContact O-N 3.09Å; F71-G74 PolarHBondContact O-N 2.92Å; G74-G78 PolarHBondContact O-N 3.37Å
75L91.5Very high93.1Very high0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-63.3-42.9173.9-70.1-179.8000112.6T48 M49 F71 K73 A79 F91T48-L75 HydrophobicContact CG2-CD2 4.08Å; T48-L75 WeakPolarHBondContact O-CD2 3.39Å; M49-L75 HydrophobicContact SD-CD2 4.05Å; F71-L75 HydrophobicContact CD1-CD1 4.16Å; F71-L75 HydrophobicContact CD2-CD1 4.23Å; F71-L75 HydrophobicContact CD2-CG 4.03Å; F71-L75 HydrophobicContact CE1-CD1 3.66Å; F71-L75 HydrophobicContact CE1-CG 4.47Å; F71-L75 HydrophobicContact CE2-CD1 3.73Å; F71-L75 HydrophobicContact CE2-CD2 3.78Å; F71-L75 HydrophobicContact CE2-CG 3.65Å; F71-L75 HydrophobicContact CG-CD1 4.43Å; F71-L75 HydrophobicContact CZ-CD1 3.43Å; F71-L75 VanDerWaalsContact CZ-CD1 3.43Å; F71-L75 HydrophobicContact CZ-CD2 4.08Å; F71-L75 HydrophobicContact CZ-CG 3.91Å; F71-L75 WeakPolarHBondContact O-CG 3.45Å; F71-L75 PolarHBondContact O-N 2.86Å; K73-L75 PolarHBondContact O-N 3.09Å; L75-A79 WeakPolarHBondContact O-CB 3.35Å; L75-A79 PolarHBondContact O-N 3.2Å; L75-F91 HydrophobicContact CD1-CB 3.32Å; L75-F91 HydrophobicContact CD1-CD2 3.73Å; L75-F91 HydrophobicContact CD1-CG 3.84Å
76L90.3Very high93Very high24 Ų2429 Ų2913%0.12614%0.142CC..Hα-helixtrans-62.4-46.1-179.7-174.277.8000110.9S72 K73 T367 Q397 I401S72-L76 VanDerWaalsContact O-CB 3.23Å; S72-L76 WeakPolarHBondContact O-CB 3.45Å; S72-L76 PolarHBondContact O-N 2.86Å; K73-L76 PolarHBondContact O-N 3.48Å; L76-T367 WeakPolarHBondContact O-CB 3.44Å; L76-T367 PolarHBondContact O-OG1 3.21Å; L76-Q397 HydrophobicContact CD1-CG 3.72Å; L76-Q397 HydrophobicContact CG-CG 4.43Å; L76-Q397 PolarHBondContact O-NE2 2.63Å; L76-I401 HydrophobicContact CD2-CD1 4.22Å; L76-I401 HydrophobicContact CD2-CG2 4.29Å; L76-I401 HydrophobicContact CG-CD1 4.43Å
77M89.6Confident93.1Very high44 Ų4423.8 Ų23.822%0.21712%0.118CC..Hα-helixtrans-69-44.6179.2-67.6-62.8141.100111.5K73 A79 T367 E368 I401K73-M77 WeakPolarHBondContact O-CG 3.09Å; K73-M77 PolarHBondContact O-N 3.17Å; M77-A79 VanDerWaalsContact C-N 3.26Å; M77-A79 PolarHBondContact O-N 3.2Å; M77-T367 PolarHBondContact O-N 2.87Å; M77-E368 HydrophobicContact CB-CB 4.04Å; M77-E368 HydrophobicContact CB-CG 4.25Å; M77-E368 WeakPolarHBondContact O-CB 3.36Å; M77-E368 PolarHBondContact O-N 3Å; M77-E368 HydrophobicContact SD-CB 4.47Å; M77-E368 HydrophobicContact SD-CG 4.32Å; M77-I401 HydrophobicContact CE-CD1 3.45Å; M77-I401 VanDerWaalsContact CE-CD1 3.45Å; M77-I401 HydrophobicContact CE-CG1 4.5Å; M77-I401 HydrophobicContact SD-CD1 4.38Å
78G88Confident93Very high2 Ų223.9 Ų23.92%0.02112%0.119CC..Hα-helixtrans-76.9-2.7-179.800000115.8T48 S51 G74 R80T48-G78 WeakPolarHBondContact CA-O 3.34Å; T48-G78 PolarHBondContact OG1-O 2.88Å; S51-G78 WeakPolarHBondContact OG-CA 3.44Å; G74-G78 PolarHBondContact O-N 3.37Å; G78-R80 PolarHBondContact O-N 2.89Å
79A90.4Very high93Very high0 Ų024.2 Ų24.20%012%0.121CC..  trans-62.9125.7-17400000112.2T48 L75 M77 V85 S366 T367T48-A79 HydrophobicContact CG2-CB 4.25Å; T48-A79 WeakPolarHBondContact OG1-CA 3.47Å; L75-A79 WeakPolarHBondContact O-CB 3.35Å; L75-A79 PolarHBondContact O-N 3.2Å; M77-A79 VanDerWaalsContact C-N 3.26Å; M77-A79 PolarHBondContact O-N 3.2Å; A79-V85 HydrophobicContact CB-CG2 3.91Å; A79-S366 CarbonylContact O-C 3.41Å; A79-S366 WeakPolarHBondContact O-CA 3.48Å; A79-T367 PolarHBondContact O-N 3.36Å; A79-T367 PolarHBondContact O-OG1 2.79Å
80R90Very high93.1Very high48 Ų4819.2 Ų19.218%0.18110%0.099CC..  trans-132.1147.2177.6-63.7171.8-167.9-141.4-2.6110.3N44 T48 G78 G84 N364N44-R80 HydrophobicContact CB-CB 4.13Å; N44-R80 WeakPolarHBondContact OD1-CB 3.29Å; T48-R80 PolarHBondContact OG1-N 3.26Å; T48-R80 VanDerWaalsContact OG1-N 3.16Å; G78-R80 PolarHBondContact O-N 2.89Å; R80-G84 WeakPolarHBondContact O-CA 3.43Å; R80-G84 PolarHBondContact O-N 3.13Å; R80-N364 WeakPolarHBondContact CD-O 3.23Å
81G90.1Very high93.3Very high2 Ų218.1 Ų18.12%0.0219%0.092CC..Hα-helixtrans63.8171.9178.200000113.8V85 N390G81-V85 WeakPolarHBondContact O-CB 3.33Å; G81-V85 WeakPolarHBondContact O-CG2 3.35Å; G81-V85 PolarHBondContact O-N 3.17Å; G81-N390 CarbonylContact C-O 3.5Å; G81-N390 VanDerWaalsContact CA-O 3.25Å; G81-N390 WeakPolarHBondContact CA-O 3.36Å
82N91.6Very high93.2Very high50 Ų5023.7 Ų23.727%0.26711%0.113SC..Hα-helixtrans-63.9-48.9178.9-68-37.6000112G84 V85 I86 N390 M393N82-G84 PolarHBondContact O-N 2.93Å; N82-V85 PolarHBondContact O-N 3.48Å; N82-I86 VanDerWaalsContact O-CG1 3.29Å; N82-I86 WeakPolarHBondContact O-CG1 3.4Å; N82-I86 PolarHBondContact O-N 2.93Å; N82-N390 PolarHBondContact ND2-OD1 3.3Å; N82-M393 HydrophobicContact CB-SD 4.07Å; N82-M393 WeakPolarHBondContact OD1-CG 3.3Å; N82-M393 PolarHBondContact OD1-SD 3.32Å; N82-M393 VanDerWaalsContact OD1-SD 3.33Å
83S94.5Very high93.4Very high22 Ų2222.9 Ų22.915%0.15411%0.107CC..Hα-helixtrans-68.4-36-177.5-61.20000113.1T41 I86 L87T41-S83 WeakPolarHBondContact CG2-OG 3.35Å; S83-I86 PolarHBondContact O-N 3.21Å; S83-L87 VanDerWaalsContact O-CB 3.3Å; S83-L87 WeakPolarHBondContact O-CB 3.43Å; S83-L87 PolarHBondContact O-N 3.03Å
84G94.3Very high93.8Very high0 Ų017.1 Ų17.10%08%0.083CC..Hα-helixtrans-68.4-42175.100000111.9R80 N82 I86 L87 S88R80-G84 WeakPolarHBondContact O-CA 3.43Å; R80-G84 PolarHBondContact O-N 3.13Å; N82-G84 PolarHBondContact O-N 2.93Å; G84-I86 PolarHBondContact O-N 3.47Å; G84-L87 WeakPolarHBondContact O-CB 3.43Å; G84-L87 PolarHBondContact O-N 3.37Å; G84-S88 PolarHBondContact O-N 3.44Å
85V93.9Very high94.3Very high4 Ų416.9 Ų16.92%0.0248%0.08CC..Hα-helixtrans-62-45.4173.4178.50000111.1A79 G81 N82 L87 S88 Q89 M393 A394A79-V85 HydrophobicContact CB-CG2 3.91Å; G81-V85 WeakPolarHBondContact O-CB 3.33Å; G81-V85 WeakPolarHBondContact O-CG2 3.35Å; G81-V85 PolarHBondContact O-N 3.17Å; N82-V85 PolarHBondContact O-N 3.48Å; V85-L87 VanDerWaalsContact C-N 3.35Å; V85-L87 PolarHBondContact O-N 3.39Å; V85-S88 WeakPolarHBondContact O-CB 3.38Å; V85-S88 PolarHBondContact O-N 2.92Å; V85-S88 VanDerWaalsContact O-N 3.15Å; V85-S88 PolarHBondContact O-OG 3Å; V85-Q89 WeakPolarHBondContact O-CG 3.39Å; V85-Q89 PolarHBondContact O-N 3.13Å; V85-M393 HydrophobicContact CB-CB 4.08Å; V85-M393 HydrophobicContact CB-CE 4.19Å; V85-M393 HydrophobicContact CG1-CB 3.99Å; V85-M393 HydrophobicContact CG1-CE 3.79Å; V85-M393 HydrophobicContact CG2-CB 4.06Å; V85-A394 HydrophobicContact CG2-CB 4.12Å
86I96.4Very high94.5Very high16 Ų1623 Ų238%0.08211%0.106CC..Hα-helixtrans-60.7-43.7176.3-66.5165.9000111.4N82 S83 G84 S88 Q89 L90 A120 V124 I132 L133 M393N82-I86 VanDerWaalsContact O-CG1 3.29Å; N82-I86 WeakPolarHBondContact O-CG1 3.4Å; N82-I86 PolarHBondContact O-N 2.93Å; S83-I86 PolarHBondContact O-N 3.21Å; G84-I86 PolarHBondContact O-N 3.47Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 3.3Å; I86-Q89 PolarHBondContact O-N 2.96Å; I86-Q89 VanDerWaalsContact O-N 3.12Å; I86-L90 HydrophobicContact CG2-CD1 4.28Å; I86-L90 HydrophobicContact CG2-CG 4.38Å; I86-L90 WeakPolarHBondContact O-CG 3.08Å; I86-L90 PolarHBondContact O-N 2.85Å; I86-A120 HydrophobicContact CG2-CB 4.36Å; I86-V124 HydrophobicContact CD1-CG2 4.24Å; I86-V124 HydrophobicContact CG1-CG2 3.97Å; I86-I132 HydrophobicContact CB-CG2 4.24Å; I86-I132 HydrophobicContact CD1-CG2 3.88Å; I86-I132 HydrophobicContact CG2-CD1 4.36Å; I86-I132 HydrophobicContact CG2-CG2 3.73Å; I86-L133 HydrophobicContact CG2-CD2 3.7Å; I86-L133 HydrophobicContact CG2-CG 4.32Å; I86-M393 HydrophobicContact CG1-CE 3.92Å
87L98Very high94.9Very high0 Ų024.8 Ų24.80%012%0.116CC..Hα-helixtrans-57.3-42.9175.2-173.568.9000111.4M45 M49 S83 G84 V85 Q89 L90 F91 L191M45-L87 HydrophobicContact CB-CD2 4.48Å; M45-L87 HydrophobicContact CE-CB 4.4Å; M45-L87 HydrophobicContact CE-CD1 4.13Å; M45-L87 HydrophobicContact CE-CD2 3.96Å; M45-L87 HydrophobicContact CE-CG 4.4Å; M49-L87 HydrophobicContact CB-CD2 4.38Å; S83-L87 VanDerWaalsContact O-CB 3.3Å; S83-L87 WeakPolarHBondContact O-CB 3.43Å; S83-L87 PolarHBondContact O-N 3.03Å; G84-L87 WeakPolarHBondContact O-CB 3.43Å; G84-L87 PolarHBondContact O-N 3.37Å; V85-L87 VanDerWaalsContact C-N 3.35Å; V85-L87 PolarHBondContact O-N 3.39Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 3.49Å; L87-L90 PolarHBondContact O-N 3.14Å; L87-F91 HydrophobicContact CD1-CD2 4.05Å; L87-F91 HydrophobicContact CD1-CE2 3.65Å; L87-F91 HydrophobicContact CG-CD2 4.16Å; L87-F91 HydrophobicContact CG-CE2 4.16Å; L87-F91 WeakPolarHBondContact O-CD2 3.29Å; L87-F91 PolarHBondContact O-N 3.06Å; L87-F91 VanDerWaalsContact O-N 3.15Å; L87-L191 HydrophobicContact CD1-CD1 3.7Å
88S97.1Very high95.3Very high1 Ų122.7 Ų22.71%0.00711%0.106CC..Hα-helixtrans-61.7-39.3176.483.20000112.1G84 V85 I86 R92 Q397G84-S88 PolarHBondContact O-N 3.44Å; V85-S88 WeakPolarHBondContact O-CB 3.38Å; V85-S88 PolarHBondContact O-N 2.92Å; V85-S88 VanDerWaalsContact O-N 3.15Å; V85-S88 PolarHBondContact O-OG 3Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 3.3Å; S88-R92 VanDerWaalsContact O-CB 3.24Å; S88-R92 WeakPolarHBondContact O-CB 3.49Å; S88-R92 PolarHBondContact O-N 3.33Å; S88-Q397 PolarHBondContact OG-OE1 3.19Å
89Q96.5Very high95.7Very high8 Ų826 Ų264%0.03712%0.12CC..Hα-helixtrans-73.8-35.7179.3-63.2-56.1-44.100112.8V85 I86 L87 R92 G93 T119 A120 A123V85-Q89 WeakPolarHBondContact O-CG 3.39Å; V85-Q89 PolarHBondContact O-N 3.13Å; I86-Q89 PolarHBondContact O-N 2.96Å; I86-Q89 VanDerWaalsContact O-N 3.12Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 3.49Å; Q89-R92 PolarHBondContact O-N 3.25Å; Q89-R92 VanDerWaalsContact OE1-CD 3.28Å; Q89-G93 PolarHBondContact O-N 3.43Å; Q89-T119 WeakPolarHBondContact O-CG2 3.28Å; Q89-A120 HydrophobicContact CB-CB 4.23Å; Q89-A123 HydrophobicContact CB-CB 4.26Å; Q89-A123 HydrophobicContact CG-CB 3.73Å
90L98.6Very high96Very high7 Ų730.4 Ų30.44%0.03715%0.151CC..Hα-helixtrans-57.2-50.8171.7-72.9171.4000110.4I86 L87 G93 F94 G116 V117 A120 I132 A136 L191I86-L90 HydrophobicContact CG2-CD1 4.28Å; I86-L90 HydrophobicContact CG2-CG 4.38Å; I86-L90 WeakPolarHBondContact O-CG 3.08Å; I86-L90 PolarHBondContact O-N 2.85Å; L87-L90 PolarHBondContact O-N 3.14Å; L90-G93 PolarHBondContact O-N 3.08Å; L90-F94 PolarHBondContact O-N 2.89Å; L90-F94 VanDerWaalsContact O-N 3.08Å; L90-G116 WeakPolarHBondContact O-CA 3.49Å; L90-V117 HydrophobicContact CD2-CG2 4.18Å; L90-A120 HydrophobicContact CD2-CB 3.57Å; L90-A120 HydrophobicContact CG-CB 3.84Å; L90-I132 HydrophobicContact CD1-CD1 4.38Å; L90-I132 HydrophobicContact CD1-CG1 4.39Å; L90-A136 HydrophobicContact CD1-CB 3.96Å; L90-A136 HydrophobicContact CD2-CB 3.7Å; L90-L191 HydrophobicContact CD1-CD1 4.1Å; L90-L191 HydrophobicContact CD1-CD2 4.06Å
91F98.4Very high96.4Very high4 Ų431.6 Ų31.62%0.01816%0.159CC..Hα-helixtrans-76.3-24.6179.9-75.3-60.7000113.9F71 L75 L87 F94 C95 V194 F198F71-F91 HydrophobicContact CD1-CB 4.46Å; F71-F91 HydrophobicContact CE1-CB 3.86Å; F71-F91 AromaticContact CE1-CD1 3.77Å; F71-F91 HydrophobicContact CE1-CD1 3.77Å; F71-F91 HydrophobicContact CE1-CD2 4.12Å; F71-F91 HydrophobicContact CE1-CE1 4.36Å; F71-F91 AromaticContact CE1-CG 3.65Å; F71-F91 HydrophobicContact CE1-CG 3.65Å; F71-F91 HydrophobicContact CZ-CD2 4.18Å; F71-F91 HydrophobicContact CZ-CG 4.17Å; L75-F91 HydrophobicContact CD1-CB 3.32Å; L75-F91 HydrophobicContact CD1-CD2 3.73Å; L75-F91 HydrophobicContact CD1-CG 3.84Å; L87-F91 HydrophobicContact CD1-CD2 4.05Å; L87-F91 HydrophobicContact CD1-CE2 3.65Å; L87-F91 HydrophobicContact CG-CD2 4.16Å; L87-F91 HydrophobicContact CG-CE2 4.16Å; L87-F91 WeakPolarHBondContact O-CD2 3.29Å; L87-F91 PolarHBondContact O-N 3.06Å; L87-F91 VanDerWaalsContact O-N 3.15Å; F91-F94 HydrophobicContact CD1-CB 4.41Å; F91-F94 PolarHBondContact O-N 3.44Å; F91-C95 VanDerWaalsContact O-CB 3.24Å; F91-C95 WeakPolarHBondContact O-CB 3.39Å; F91-C95 PolarHBondContact O-N 3.23Å; F91-C95 PolarHBondContact O-SG 2.71Å; F91-V194 HydrophobicContact CE2-CG1 4.08Å; F91-V194 HydrophobicContact CZ-CG1 3.8Å; F91-F198 AromaticContact CE1-CE2 3.64Å; F91-F198 HydrophobicContact CE1-CE2 3.64Å; F91-F198 AromaticContact CE1-CZ 3.68Å; F91-F198 HydrophobicContact CE1-CZ 3.68Å; F91-F198 AromaticContact CZ-CE2 3.85Å; F91-F198 HydrophobicContact CZ-CE2 3.85Å; F91-F198 AromaticContact CZ-CZ 3.64Å; F91-F198 HydrophobicContact CZ-CZ 3.64Å
92R96.1Very high96.8Very high117 Ų11734.8 Ų34.844%0.44218%0.181SC..Hα-helixtrans-61.7-48.8169.6-177.9-173.1178.4-155.13.4111.3S72 S88 Q89 C95 K96S72-R92 WeakPolarHBondContact OG-CA 2.99Å; S88-R92 VanDerWaalsContact O-CB 3.24Å; S88-R92 WeakPolarHBondContact O-CB 3.49Å; S88-R92 PolarHBondContact O-N 3.33Å; Q89-R92 PolarHBondContact O-N 3.25Å; Q89-R92 VanDerWaalsContact OE1-CD 3.28Å; R92-C95 PolarHBondContact O-N 2.82Å; R92-K96 VanDerWaalsContact O-CB 3.26Å; R92-K96 WeakPolarHBondContact O-CB 3.43Å; R92-K96 PolarHBondContact O-N 3.34Å
93G97.5Very high97.1Very high2 Ų236 Ų362%0.02119%0.185CC..Hα-helixtrans-62.6-42.5176.300000112.3Q89 L90 K96 N97 T119Q89-G93 PolarHBondContact O-N 3.43Å; L90-G93 PolarHBondContact O-N 3.08Å; G93-K96 PolarHBondContact O-N 3.47Å; G93-N97 PolarHBondContact O-N 2.89Å; G93-T119 WeakPolarHBondContact CA-OG1 3.38Å
94F98.7Very high97.2Very high2 Ų235.1 Ų35.11%0.00918%0.179CC..Hα-helixtrans-56.2-54.3173-176.6-74.3000111.9F10 L90 F91 K96 N97 I98 I104 L109 S112 F113F10-F94 AromaticContact CE2-CE1 3.8Å; F10-F94 HydrophobicContact CE2-CE1 3.8Å; F10-F94 HydrophobicContact CE2-CZ 4.29Å; F10-F94 HydrophobicContact CZ-CD1 4.26Å; F10-F94 AromaticContact CZ-CE1 3.76Å; F10-F94 HydrophobicContact CZ-CE1 3.76Å; L90-F94 PolarHBondContact O-N 2.89Å; L90-F94 VanDerWaalsContact O-N 3.08Å; F91-F94 HydrophobicContact CD1-CB 4.41Å; F91-F94 PolarHBondContact O-N 3.44Å; F94-K96 VanDerWaalsContact C-N 3.3Å; F94-K96 PolarHBondContact O-N 3.42Å; F94-N97 WeakPolarHBondContact O-CB 3.44Å; F94-N97 PolarHBondContact O-N 3.25Å; F94-I98 HydrophobicContact CD1-CD1 4.17Å; F94-I98 HydrophobicContact CE1-CD1 3.81Å; F94-I104 HydrophobicContact CZ-CD1 4.41Å; F94-L109 HydrophobicContact CE2-CD1 3.73Å; F94-L109 HydrophobicContact CZ-CD1 3.59Å; F94-S112 VanDerWaalsContact CA-O 3.26Å; F94-S112 WeakPolarHBondContact CA-O 3.24Å; F94-S112 VanDerWaalsContact CD2-C 3.45Å; F94-S112 VanDerWaalsContact CD2-CB 3.43Å; F94-F113 HydrophobicContact CD2-CD1 4.12Å; F94-F113 HydrophobicContact CD2-CE1 4.35Å; F94-F113 HydrophobicContact CD2-CG 4.3Å; F94-F113 HydrophobicContact CE2-CD1 4.22Å; F94-F113 HydrophobicContact CE2-CD2 4.2Å; F94-F113 HydrophobicContact CE2-CE1 4.16Å; F94-F113 HydrophobicContact CE2-CE2 4.16Å; F94-F113 HydrophobicContact CE2-CG 4.24Å; F94-F113 HydrophobicContact CE2-CZ 4.14Å
95C98.2Very high97.4Very high2 Ų238.7 Ų38.71%0.01420%0.198CC..Hα-helixtrans-67.7-32.4-175.7-67.80000112G68 F91 R92 N97 I98 E99G68-C95 VanDerWaalsContact O-CB 3.29Å; G68-C95 WeakPolarHBondContact O-CB 3.42Å; G68-C95 PolarHBondContact O-SG 2.86Å; F91-C95 VanDerWaalsContact O-CB 3.24Å; F91-C95 WeakPolarHBondContact O-CB 3.39Å; F91-C95 PolarHBondContact O-N 3.23Å; F91-C95 PolarHBondContact O-SG 2.71Å; R92-C95 PolarHBondContact O-N 2.82Å; C95-N97 VanDerWaalsContact C-N 3.3Å; C95-N97 PolarHBondContact O-N 3.14Å; C95-I98 WeakPolarHBondContact O-CG1 3.27Å; C95-I98 PolarHBondContact O-N 2.72Å; C95-E99 PolarHBondContact O-N 3Å
96K96.6Very high97.6Very high128 Ų12838.8 Ų38.856%0.55720%0.198SC*.Hα-helixtrans-63.8-37.3175.1-176.160.7-176.6172.20111.8R92 G93 F94 I98 E99R92-K96 VanDerWaalsContact O-CB 3.26Å; R92-K96 WeakPolarHBondContact O-CB 3.43Å; R92-K96 PolarHBondContact O-N 3.34Å; G93-K96 PolarHBondContact O-N 3.47Å; F94-K96 VanDerWaalsContact C-N 3.3Å; F94-K96 PolarHBondContact O-N 3.42Å; K96-I98 VanDerWaalsContact C-N 3.27Å; K96-I98 PolarHBondContact O-N 2.97Å; K96-E99 WeakPolarHBondContact CD-OE2 3.5Å; K96-E99 IonicContact NZ-OE1 2.68Å; K96-E99 PolarHBondContact NZ-OE1 3.29Å; K96-E99 IonicContact NZ-OE2 2.66Å; K96-E99 PolarHBondContact NZ-OE2 2.75Å; K96-E99 PolarHBondContact O-N 3.36Å
97N98.3Very high97.7Very high61 Ų6143.2 Ų43.233%0.32622%0.217SC..Hα-helixtrans-69.4-24.2-179.9-166.759.2000113.4G93 F94 C95 L108 S112 A115G93-N97 PolarHBondContact O-N 2.89Å; F94-N97 WeakPolarHBondContact O-CB 3.44Å; F94-N97 PolarHBondContact O-N 3.25Å; C95-N97 VanDerWaalsContact C-N 3.3Å; C95-N97 PolarHBondContact O-N 3.14Å; N97-L108 WeakPolarHBondContact ND2-CD1 3.37Å; N97-S112 PolarHBondContact ND2-OG 3.41Å; N97-A115 HydrophobicContact CB-CB 3.8Å
98I98.1Very high97.7Very high0 Ų044.5 Ų44.50%022%0.224CC..THydrogen-bonded Turntrans-105.28.5-178.965.8170.3000113.3F10 I64 G65 F94 C95 K96 S100 E101 I104 L108 S112F10-I98 HydrophobicContact CE1-CD1 4.27Å; F10-I98 HydrophobicContact CZ-CD1 4.5Å; I64-I98 HydrophobicContact CD1-CD1 4.03Å; I64-I98 HydrophobicContact CG1-CD1 3.94Å; I64-I98 HydrophobicContact CG2-CD1 4.5Å; G65-I98 WeakPolarHBondContact CA-O 3.42Å; F94-I98 HydrophobicContact CD1-CD1 4.17Å; F94-I98 HydrophobicContact CE1-CD1 3.81Å; C95-I98 WeakPolarHBondContact O-CG1 3.27Å; C95-I98 PolarHBondContact O-N 2.72Å; K96-I98 VanDerWaalsContact C-N 3.27Å; K96-I98 PolarHBondContact O-N 2.97Å; I98-S100 PolarHBondContact O-N 2.71Å; I98-S100 VanDerWaalsContact O-N 3.12Å; I98-E101 PolarHBondContact O-N 2.87Å; I98-I104 HydrophobicContact CB-CG2 4.06Å; I98-I104 HydrophobicContact CG2-CD1 4.21Å; I98-I104 HydrophobicContact CG2-CG2 3.74Å; I98-L108 HydrophobicContact CG2-CG 4.36Å; I98-S112 WeakPolarHBondContact CG2-OG 3.27Å
99E96.8Very high97.8Very high71 Ų7144.5 Ų44.533%0.33222%0.224SC..THydrogen-bonded Turntrans-63-26.5-166.291.6174.5179.200114.5C95 K96C95-E99 PolarHBondContact O-N 3Å; K96-E99 WeakPolarHBondContact CD-OE2 3.5Å; K96-E99 IonicContact NZ-OE1 2.68Å; K96-E99 PolarHBondContact NZ-OE1 3.29Å; K96-E99 IonicContact NZ-OE2 2.66Å; K96-E99 PolarHBondContact NZ-OE2 2.75Å; K96-E99 PolarHBondContact O-N 3.36Å
100S96.9Very high97.9Very high93 Ų9344.1 Ų44.165%0.6522%0.222SC*.THydrogen-bonded Turntrans-92.8-6.4-179.151.10000113.5I98I98-S100 PolarHBondContact O-N 2.71Å; I98-S100 VanDerWaalsContact O-N 3.12Å
101E98Very high97.9Very high73 Ų7347.2 Ų47.234%0.34124%0.236SC..  trans-98.3144.6-168.8-56.4-50.8129.700112.2N63 I64 G65 I98 I104 L108N63-E101 PolarHBondContact OD1-O 2.92Å; N63-E101 VanDerWaalsContact OD1-O 3.06Å; I64-E101 HydrophobicContact CG2-CB 4.35Å; I64-E101 WeakPolarHBondContact CG2-O 3.46Å; G65-E101 PolarHBondContact N-O 2.87Å; I98-E101 PolarHBondContact O-N 2.87Å; E101-I104 HydrophobicContact CB-CG2 4.15Å; E101-L108 HydrophobicContact CG-CD2 3.73Å
102S97.6Very high97.9Very high70 Ų7047 Ų4749%0.4924%0.236SC..SBendtrans-85-29.3170.356.80000112.9I64I64-S102 PolarHBondContact N-O 3.07Å
103E98Very high98Very high75 Ų7542 Ų4235%0.3522%0.217SC..EExtended strand (participates in β ladder)trans-155.4152.7-179.457.3-177.9-159.500109.4K4 I5 N6K4-E103 HydrophobicContact CD-CG 4.44Å; K4-E103 VanDerWaalsContact CD-OE1 3.26Å; K4-E103 WeakPolarHBondContact CD-OE1 3.41Å; K4-E103 WeakPolarHBondContact CE-OE1 3.24Å; K4-E103 IonicContact NZ-OE1 2.7Å; K4-E103 PolarHBondContact NZ-OE1 2.9Å; I5-E103 CarbonylContact O-C 3.6Å; I5-E103 WeakPolarHBondContact O-CA 3.36Å; I5-E103 WeakPolarHBondContact O-CB 3.38Å; N6-E103 HydrophobicContact CB-CB 4.31Å
104I98.2Very high98.1Very high3 Ų344.3 Ų44.32%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-124.2150.6-179.667.7177.7000111.2K4 I5 I64 F94 I98 E101 L108 L109K4-I104 CarbonylContact C-O 3.51Å; K4-I104 VanDerWaalsContact CA-O 3.28Å; K4-I104 WeakPolarHBondContact CA-O 3.49Å; I5-I104 HydrophobicContact CB-CG1 4Å; I5-I104 PolarHBondContact N-O 3.03Å; I5-I104 PolarHBondContact O-N 2.82Å; I64-I104 HydrophobicContact CD1-CD1 3.71Å; I64-I104 HydrophobicContact CD1-CG1 3.73Å; I64-I104 HydrophobicContact CD1-CG2 4.28Å; I64-I104 HydrophobicContact CG2-CG2 4.01Å; F94-I104 HydrophobicContact CZ-CD1 4.41Å; I98-I104 HydrophobicContact CB-CG2 4.06Å; I98-I104 HydrophobicContact CG2-CD1 4.21Å; I98-I104 HydrophobicContact CG2-CG2 3.74Å; E101-I104 HydrophobicContact CB-CG2 4.15Å; I104-L108 HydrophobicContact CB-CB 4.16Å; I104-L108 HydrophobicContact CB-CD2 3.87Å; I104-L108 HydrophobicContact CB-CG 4.12Å; I104-L108 HydrophobicContact CG2-CD2 3.4Å; I104-L108 HydrophobicContact CG2-CG 3.95Å; I104-L109 HydrophobicContact CD1-CB 4.2Å; I104-L109 HydrophobicContact CD1-CD1 4.16Å
105N98.2Very high98.1Very high76 Ų7645 Ų4541%0.40623%0.234SC..  trans-100.3-178.5173.164.811.2000111.2S3 K107 L108 L109S3-N105 WeakPolarHBondContact O-CA 3.44Å; N105-K107 VanDerWaalsContact C-N 3.29Å; N105-K107 PolarHBondContact O-N 2.87Å; N105-K107 PolarHBondContact OD1-N 2.93Å; N105-L108 PolarHBondContact O-N 2.71Å; N105-L108 PolarHBondContact OD1-N 2.85Å; N105-L109 WeakPolarHBondContact O-CB 3.49Å; N105-L109 PolarHBondContact O-N 3.46Å
106S97.8Very high98.1Very high5 Ų545 Ų454%0.03523%0.233CC..Hα-helixtrans-56.3-39.9179.362.90000113.2L109 A110 T150 E151 L156S106-L109 WeakPolarHBondContact O-CB 3.25Å; S106-L109 PolarHBondContact O-N 3.49Å; S106-A110 PolarHBondContact O-N 2.79Å; S106-T150 PolarHBondContact OG-O 2.78Å; S106-E151 WeakPolarHBondContact OG-CA 3.34Å; S106-L156 WeakPolarHBondContact O-CD2 3.32Å
107K98.2Very high98.2Very high110 Ų11039.3 Ų39.348%0.47821%0.209SC..Hα-helixtrans-64.2-50.3179.3-175.8174.9176.8178.70112N105 L109 A110 E111N105-K107 VanDerWaalsContact C-N 3.29Å; N105-K107 PolarHBondContact O-N 2.87Å; N105-K107 PolarHBondContact OD1-N 2.93Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.3Å; K107-A110 PolarHBondContact O-N 2.83Å; K107-E111 WeakPolarHBondContact CE-OE1 3.49Å; K107-E111 WeakPolarHBondContact O-CG 3.45Å; K107-E111 PolarHBondContact O-N 2.87Å
108L98.2Very high98.2Very high27 Ų2741.1 Ų41.114%0.14122%0.216CC..Hα-helixtrans-69.7-30.6179.6-17559.9000111.9N97 I98 E101 I104 N105 E111 S112N97-L108 WeakPolarHBondContact ND2-CD1 3.37Å; I98-L108 HydrophobicContact CG2-CG 4.36Å; E101-L108 HydrophobicContact CG-CD2 3.73Å; I104-L108 HydrophobicContact CB-CB 4.16Å; I104-L108 HydrophobicContact CB-CD2 3.87Å; I104-L108 HydrophobicContact CB-CG 4.12Å; I104-L108 HydrophobicContact CG2-CD2 3.4Å; I104-L108 HydrophobicContact CG2-CG 3.95Å; N105-L108 PolarHBondContact O-N 2.71Å; N105-L108 PolarHBondContact OD1-N 2.85Å; L108-E111 HydrophobicContact CD1-CB 4.38Å; L108-E111 WeakPolarHBondContact CD1-OE2 3.47Å; L108-E111 PolarHBondContact O-N 2.97Å; L108-S112 WeakPolarHBondContact O-CB 3.24Å; L108-S112 PolarHBondContact O-N 3.44Å; L108-S112 PolarHBondContact O-OG 3.34Å
109L98.5Very high98Very high1 Ų142.9 Ų42.91%0.00523%0.227CC..Hα-helixtrans-59.1-47.7169.9176.762.6000111.3I5 F94 I104 N105 S106 K107 S112 F113 C153 L156I5-L109 HydrophobicContact CD1-CD1 4.36Å; I5-L109 HydrophobicContact CD1-CD2 3.78Å; F94-L109 HydrophobicContact CE2-CD1 3.73Å; F94-L109 HydrophobicContact CZ-CD1 3.59Å; I104-L109 HydrophobicContact CD1-CB 4.2Å; I104-L109 HydrophobicContact CD1-CD1 4.16Å; N105-L109 WeakPolarHBondContact O-CB 3.49Å; N105-L109 PolarHBondContact O-N 3.46Å; S106-L109 WeakPolarHBondContact O-CB 3.25Å; S106-L109 PolarHBondContact O-N 3.49Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.3Å; L109-S112 PolarHBondContact O-N 3.4Å; L109-F113 HydrophobicContact CD1-CD2 4.28Å; L109-F113 HydrophobicContact CD1-CE2 3.68Å; L109-F113 HydrophobicContact CD1-CZ 4.36Å; L109-F113 HydrophobicContact CG-CD2 4.32Å; L109-F113 HydrophobicContact CG-CE2 3.89Å; L109-F113 VanDerWaalsContact O-CD2 3.27Å; L109-F113 WeakPolarHBondContact O-CD2 3.32Å; L109-F113 PolarHBondContact O-N 2.79Å; L109-F113 VanDerWaalsContact O-N 3.17Å; L109-C153 HydrophobicContact CD2-CB 4.23Å; L109-L156 HydrophobicContact CB-CD2 4.38Å; L109-L156 HydrophobicContact CD2-CD2 4.06Å; L109-L156 HydrophobicContact CG-CD2 4.29Å
110A98.6Very high97.9Very high0 Ų039.5 Ų39.50%021%0.211CC..Hα-helixtrans-63.3-45.1176.400000112.7S106 K107 S112 F113 Q114 A143 I144 A147 L156S106-A110 PolarHBondContact O-N 2.79Å; K107-A110 PolarHBondContact O-N 2.83Å; A110-S112 PolarHBondContact O-N 3.39Å; A110-F113 PolarHBondContact O-N 2.89Å; A110-Q114 PolarHBondContact O-N 3.19Å; A110-Q114 VanDerWaalsContact O-N 3.14Å; A110-A143 HydrophobicContact CB-CB 3.69Å; A110-A143 WeakPolarHBondContact CB-O 3.07Å; A110-I144 HydrophobicContact CB-CD1 4.01Å; A110-A147 HydrophobicContact CB-CB 3.73Å; A110-L156 HydrophobicContact CB-CD2 4.21Å
111E98.7Very high97.8Very high72 Ų7237.7 Ų37.734%0.33619%0.19SC..Hα-helixtrans-58.5-34.2174.8-71169.5178.800112K107 L108 Q114 A115 I144K107-E111 WeakPolarHBondContact CE-OE1 3.49Å; K107-E111 WeakPolarHBondContact O-CG 3.45Å; K107-E111 PolarHBondContact O-N 2.87Å; L108-E111 HydrophobicContact CD1-CB 4.38Å; L108-E111 WeakPolarHBondContact CD1-OE2 3.47Å; L108-E111 PolarHBondContact O-N 2.97Å; E111-Q114 PolarHBondContact O-N 3.21Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 2.93Å; E111-I144 HydrophobicContact CG-CD1 4.04Å
112S98.7Very high97.4Very high0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-73.3-37.1179.3-55.20000112.6F94 N97 I98 L108 L109 A110 Q114 A115 G116F94-S112 VanDerWaalsContact CA-O 3.26Å; F94-S112 WeakPolarHBondContact CA-O 3.24Å; F94-S112 VanDerWaalsContact CD2-C 3.45Å; F94-S112 VanDerWaalsContact CD2-CB 3.43Å; N97-S112 PolarHBondContact ND2-OG 3.41Å; I98-S112 WeakPolarHBondContact CG2-OG 3.27Å; L108-S112 WeakPolarHBondContact O-CB 3.24Å; L108-S112 PolarHBondContact O-N 3.44Å; L108-S112 PolarHBondContact O-OG 3.34Å; L109-S112 PolarHBondContact O-N 3.4Å; A110-S112 PolarHBondContact O-N 3.39Å; S112-Q114 VanDerWaalsContact C-N 3.31Å; S112-Q114 PolarHBondContact O-N 2.63Å; S112-A115 PolarHBondContact O-N 3.25Å; S112-G116 PolarHBondContact O-N 3.46Å
113F98.8Very high96.8Very high11 Ų1140.7 Ų40.75%0.04820%0.2CC..Hα-helixtrans-61.4-42169.7-76.4-66.3000111.5F94 L109 A110 G116 V117 A140 M157 I160 Y195F94-F113 HydrophobicContact CD2-CD1 4.12Å; F94-F113 HydrophobicContact CD2-CE1 4.35Å; F94-F113 HydrophobicContact CD2-CG 4.3Å; F94-F113 HydrophobicContact CE2-CD1 4.22Å; F94-F113 HydrophobicContact CE2-CD2 4.2Å; F94-F113 HydrophobicContact CE2-CE1 4.16Å; F94-F113 HydrophobicContact CE2-CE2 4.16Å; F94-F113 HydrophobicContact CE2-CG 4.24Å; F94-F113 HydrophobicContact CE2-CZ 4.14Å; L109-F113 HydrophobicContact CD1-CD2 4.28Å; L109-F113 HydrophobicContact CD1-CE2 3.68Å; L109-F113 HydrophobicContact CD1-CZ 4.36Å; L109-F113 HydrophobicContact CG-CD2 4.32Å; L109-F113 HydrophobicContact CG-CE2 3.89Å; L109-F113 VanDerWaalsContact O-CD2 3.27Å; L109-F113 WeakPolarHBondContact O-CD2 3.32Å; L109-F113 PolarHBondContact O-N 2.79Å; L109-F113 VanDerWaalsContact O-N 3.17Å; A110-F113 PolarHBondContact O-N 2.89Å; F113-G116 PolarHBondContact O-N 3.22Å; F113-V117 PolarHBondContact O-N 3.47Å; F113-V117 VanDerWaalsContact O-N 3.08Å; F113-A140 HydrophobicContact CB-CB 4.02Å; F113-M157 HydrophobicContact CE2-SD 4.22Å; F113-M157 HydrophobicContact CZ-CE 4.22Å; F113-M157 HydrophobicContact CZ-SD 4.01Å; F113-I160 HydrophobicContact CD2-CD1 3.79Å; F113-I160 HydrophobicContact CE2-CD1 3.63Å; F113-I160 HydrophobicContact CZ-CD1 4.44Å; F113-Y195 HydrophobicContact CD1-CE1 4.23Å; F113-Y195 HydrophobicContact CE1-CD1 4.22Å; F113-Y195 AromaticContact CE1-CE1 3.52Å; F113-Y195 HydrophobicContact CE1-CE1 3.52Å; F113-Y195 AromaticContact CE1-CZ 3.79Å; F113-Y195 HydrophobicContact CZ-CE1 4.35Å
114Q98.7Very high96.1Very high51 Ų5138.2 Ų38.224%0.23819%0.191CC..Hα-helixtrans-63.1-44.5176.4-17560.653.500112.1A110 E111 S112 G116 V117 E118 A140 I144A110-Q114 PolarHBondContact O-N 3.19Å; A110-Q114 VanDerWaalsContact O-N 3.14Å; E111-Q114 PolarHBondContact O-N 3.21Å; S112-Q114 VanDerWaalsContact C-N 3.31Å; S112-Q114 PolarHBondContact O-N 2.63Å; Q114-G116 VanDerWaalsContact C-N 3.27Å; Q114-G116 PolarHBondContact O-N 3.01Å; Q114-V117 PolarHBondContact O-N 3.07Å; Q114-E118 WeakPolarHBondContact O-CG 3.19Å; Q114-E118 PolarHBondContact O-N 3.43Å; Q114-A140 HydrophobicContact CB-CB 4.45Å; Q114-I144 HydrophobicContact CB-CD1 4.18Å; Q114-I144 HydrophobicContact CB-CG1 4.23Å
115A98.7Very high95.2Very high17 Ų1745.7 Ų45.714%0.1423%0.227CC..Hα-helixtrans-61.8-35.1175.300000112.6N97 E111 S112 T119N97-A115 HydrophobicContact CB-CB 3.8Å; E111-A115 WeakPolarHBondContact O-CB 3.49Å; E111-A115 PolarHBondContact O-N 2.93Å; S112-A115 PolarHBondContact O-N 3.25Å; A115-T119 WeakPolarHBondContact O-CB 3.49Å; A115-T119 PolarHBondContact O-N 3.29Å; A115-T119 VanDerWaalsContact O-N 3.07Å; A115-T119 PolarHBondContact O-OG1 3.45Å
116G98.5Very high94.6Very high1 Ų150.2 Ų50.21%0.0124%0.243CC..Hα-helixtrans-58.7-51.1171.500000112.5L90 S112 F113 Q114 E118 T119 A120L90-G116 WeakPolarHBondContact O-CA 3.49Å; S112-G116 PolarHBondContact O-N 3.46Å; F113-G116 PolarHBondContact O-N 3.22Å; Q114-G116 VanDerWaalsContact C-N 3.27Å; Q114-G116 PolarHBondContact O-N 3.01Å; G116-E118 PolarHBondContact O-N 2.97Å; G116-T119 PolarHBondContact O-N 2.86Å; G116-A120 PolarHBondContact O-N 3.25Å
117V98.7Very high94.3Very high8 Ų852.7 Ų52.75%0.04826%0.259CS..Hα-helixtrans-58-48.4177.1169.40000111.3L90 F113 Q114 T119 A120 Y121 A136 K137 A140L90-V117 HydrophobicContact CD2-CG2 4.18Å; F113-V117 PolarHBondContact O-N 3.47Å; F113-V117 VanDerWaalsContact O-N 3.08Å; Q114-V117 PolarHBondContact O-N 3.07Å; V117-T119 PolarHBondContact O-N 3.27Å; V117-A120 PolarHBondContact O-N 3.33Å; V117-Y121 HydrophobicContact CG1-CD2 3.72Å; V117-Y121 HydrophobicContact CG1-CE2 3.7Å; V117-Y121 VanDerWaalsContact O-CD2 3.29Å; V117-Y121 WeakPolarHBondContact O-CD2 3.38Å; V117-Y121 PolarHBondContact O-N 3.45Å; V117-A136 VanDerWaalsContact CG2-C 3.46Å; V117-A136 HydrophobicContact CG2-CB 3.85Å; V117-A136 WeakPolarHBondContact CG2-O 3.43Å; V117-K137 HydrophobicContact CG1-CB 3.96Å; V117-K137 HydrophobicContact CG1-CG 4.36Å; V117-A140 HydrophobicContact CG2-CB 3.75Å
118E98.1Very high93.9Very high99 Ų9951 Ų5146%0.46326%0.258SS..Hα-helixtrans-59.4-36178.7-70.8176.7-164.400113Q114 G116 K122Q114-E118 WeakPolarHBondContact O-CG 3.19Å; Q114-E118 PolarHBondContact O-N 3.43Å; G116-E118 PolarHBondContact O-N 2.97Å; E118-K122 WeakPolarHBondContact O-CD 3.31Å; E118-K122 VanDerWaalsContact O-CG 3.24Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.38Å
119T95.2Very high93.8Very high37 Ų3753.4 Ų53.423%0.22727%0.269CS..Hα-helixtrans-71.4-45.5177.7-590000111.1Q89 G93 A115 G116 V117 K122 A123Q89-T119 WeakPolarHBondContact O-CG2 3.28Å; G93-T119 WeakPolarHBondContact CA-OG1 3.38Å; A115-T119 WeakPolarHBondContact O-CB 3.49Å; A115-T119 PolarHBondContact O-N 3.29Å; A115-T119 VanDerWaalsContact O-N 3.07Å; A115-T119 PolarHBondContact O-OG1 3.45Å; G116-T119 PolarHBondContact O-N 2.86Å; V117-T119 PolarHBondContact O-N 3.27Å; T119-K122 PolarHBondContact O-N 3.09Å; T119-A123 PolarHBondContact O-N 3.24Å; T119-A123 VanDerWaalsContact O-N 3.14Å
120A93.7Very high93.7Very high1 Ų153.4 Ų53.41%0.00827%0.268CS..Hα-helixtrans-63-43.1178.900000112.7I86 Q89 L90 G116 V117 K122 A123 V124 L133I86-A120 HydrophobicContact CG2-CB 4.36Å; Q89-A120 HydrophobicContact CB-CB 4.23Å; L90-A120 HydrophobicContact CD2-CB 3.57Å; L90-A120 HydrophobicContact CG-CB 3.84Å; G116-A120 PolarHBondContact O-N 3.25Å; V117-A120 PolarHBondContact O-N 3.33Å; A120-K122 VanDerWaalsContact C-N 3.28Å; A120-K122 PolarHBondContact O-N 3.46Å; A120-A123 PolarHBondContact O-N 3.09Å; A120-A123 VanDerWaalsContact O-N 3.14Å; A120-V124 PolarHBondContact O-N 2.82Å; A120-L133 HydrophobicContact CB-CD2 3.83Å
121Y94.6Very high93.6Very high54 Ų5454.6 Ų54.621%0.21228%0.276CS..Hα-helixtrans-64.9-30.6177.1-87.3-106.3000112.9V117 P127 E129 L133 K137V117-Y121 HydrophobicContact CG1-CD2 3.72Å; V117-Y121 HydrophobicContact CG1-CE2 3.7Å; V117-Y121 VanDerWaalsContact O-CD2 3.29Å; V117-Y121 WeakPolarHBondContact O-CD2 3.38Å; V117-Y121 PolarHBondContact O-N 3.45Å; Y121-P127 HydrophobicContact CD1-CB 3.84Å; Y121-P127 HydrophobicContact CD1-CG 4.03Å; Y121-P127 HydrophobicContact CE1-CB 4.04Å; Y121-E129 PolarHBondContact OH-OE1 3Å; Y121-L133 HydrophobicContact CD2-CB 4.49Å; Y121-L133 HydrophobicContact CD2-CD2 3.99Å; Y121-L133 HydrophobicContact CE2-CB 3.74Å; Y121-L133 HydrophobicContact CE2-CD2 4.03Å; Y121-L133 HydrophobicContact CE2-CG 4.38Å; Y121-L133 WeakPolarHBondContact CE2-O 3.42Å; Y121-L133 PolarHBondContact OH-O 3.44Å; Y121-L133 VanDerWaalsContact OH-O 3.09Å; Y121-K137 HydrophobicContact CE2-CB 4.23Å
122K90.2Very high93.6Very high168 Ų16851.3 Ų51.373%0.7326%0.26SS*.Hα-helixtrans-74.5-27175.1-72.1169.2-170.2166.10112.8E118 T119 A120E118-K122 WeakPolarHBondContact O-CD 3.31Å; E118-K122 VanDerWaalsContact O-CG 3.24Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.38Å; T119-K122 PolarHBondContact O-N 3.09Å; A120-K122 VanDerWaalsContact C-N 3.28Å; A120-K122 PolarHBondContact O-N 3.46Å
123A83.8Confident93.6Very high38 Ų3851.4 Ų51.431%0.31426%0.261SS..Hα-helixtrans-80.8-19.8-179.400000113.1Q89 T119 A120Q89-A123 HydrophobicContact CB-CB 4.26Å; Q89-A123 HydrophobicContact CG-CB 3.73Å; T119-A123 PolarHBondContact O-N 3.24Å; T119-A123 VanDerWaalsContact O-N 3.14Å; A120-A123 PolarHBondContact O-N 3.09Å; A120-A123 VanDerWaalsContact O-N 3.14Å
124V84.8Confident93.6Very high24 Ų2451 Ų5115%0.14526%0.259CS..  trans-99.5119.5179.8-178.60000109.4I86 A120 K126 P127 L133 M393I86-V124 HydrophobicContact CD1-CG2 4.24Å; I86-V124 HydrophobicContact CG1-CG2 3.97Å; A120-V124 PolarHBondContact O-N 2.82Å; V124-K126 VanDerWaalsContact C-N 3.33Å; V124-K126 PolarHBondContact O-N 3.17Å; V124-P127 HydrophobicContact CB-CG 4.26Å; V124-P127 HydrophobicContact CG1-CG 4.36Å; V124-P127 WeakPolarHBondContact O-CD 3.32Å; V124-P127 WeakPolarHBondContact O-CG 3.31Å; V124-L133 HydrophobicContact CB-CD1 4.46Å; V124-L133 HydrophobicContact CG2-CD1 4.25Å; V124-M393 HydrophobicContact CG2-CE 3.86Å
125M78.8Confident93.6Very high159 Ų15948.5 Ų48.578%0.78325%0.248SC*.SBendtrans-61.6-38.3-176.3-169.8-175.6-63.400113.4
126K85.2Confident93.6Very high172 Ų17247.8 Ų47.875%0.74824%0.242SC*.SBendtrans-132.283.3176-67.7-177.8-176.31750109.7V124 V128V124-K126 VanDerWaalsContact C-N 3.33Å; V124-K126 PolarHBondContact O-N 3.17Å; K126-V128 PolarHBondContact O-N 3Å
127P91.1Very high93.6Very high56 Ų5650.4 Ų50.436%0.36425%0.253SS..  trans-58.1135.8177-2536.4000111.1Y121 V124 L133Y121-P127 HydrophobicContact CD1-CB 3.84Å; Y121-P127 HydrophobicContact CD1-CG 4.03Å; Y121-P127 HydrophobicContact CE1-CB 4.04Å; V124-P127 HydrophobicContact CB-CG 4.26Å; V124-P127 HydrophobicContact CG1-CG 4.36Å; V124-P127 WeakPolarHBondContact O-CD 3.32Å; V124-P127 WeakPolarHBondContact O-CG 3.31Å; P127-L133 HydrophobicContact CB-CD1 3.91Å
128V91.1Very high93.6Very high75 Ų7552.5 Ų52.546%0.45526%0.264SS..  trans-113.9125.31791790000109.2K126 T131 L175K126-V128 PolarHBondContact O-N 3Å; V128-T131 HydrophobicContact CB-CG2 4.12Å; V128-T131 HydrophobicContact CG1-CG2 4.14Å; V128-T131 WeakPolarHBondContact O-CG2 3.34Å; V128-T131 PolarHBondContact O-OG1 3.06Å; V128-L175 HydrophobicContact CG1-CD1 4.34Å; V128-L175 HydrophobicContact CG1-CD2 3.73Å
129E96.1Very high93.6Very high78 Ų7847.9 Ų47.936%0.36424%0.242SC..THydrogen-bonded Turntrans-73.5149.9174.2-66.7-68.5164.900111.2Y121 T134 K137 L175Y121-E129 PolarHBondContact OH-OE1 3Å; E129-T134 VanDerWaalsContact CA-OG1 3.28Å; E129-T134 WeakPolarHBondContact CA-OG1 3.22Å; E129-T134 WeakPolarHBondContact OE2-CB 3.4Å; E129-T134 WeakPolarHBondContact OE2-CG2 3.27Å; E129-T134 PolarHBondContact OE2-OG1 3.24Å; E129-K137 IonicContact OE1-NZ 2.71Å; E129-K137 PolarHBondContact OE1-NZ 3.25Å; E129-K137 IonicContact OE2-NZ 3.01Å; E129-K137 PolarHBondContact OE2-NZ 3.49Å; E129-L175 VanDerWaalsContact O-CD2 3.24Å; E129-L175 WeakPolarHBondContact O-CD2 3.34Å; E129-L175 VanDerWaalsContact O-CG 3.24Å; E129-L175 WeakPolarHBondContact O-CG 3.39Å
130G96.2Very high93.8Very high0 Ų046.1 Ų46.10%023%0.232CC..THydrogen-bonded Turntrans86.515-170.500000114.3T134 T171 L175 L178G130-T134 PolarHBondContact N-OG1 3.27Å; G130-T171 WeakPolarHBondContact O-CB 3.14Å; G130-T171 WeakPolarHBondContact O-CG2 3.43Å; G130-L175 WeakPolarHBondContact O-CD1 3.49Å; G130-L178 WeakPolarHBondContact O-CD1 3.07Å
131T96.6Very high94Very high25 Ų2550.9 Ų50.915%0.15325%0.254CS..SBendtrans-115.6-175.1177.567.80000111.5V128 L133 T134 V135 L175 D185V128-T131 HydrophobicContact CB-CG2 4.12Å; V128-T131 HydrophobicContact CG1-CG2 4.14Å; V128-T131 WeakPolarHBondContact O-CG2 3.34Å; V128-T131 PolarHBondContact O-OG1 3.06Å; T131-L133 PolarHBondContact O-N 3.49Å; T131-L133 PolarHBondContact OG1-N 2.9Å; T131-T134 WeakPolarHBondContact O-CB 3.49Å; T131-T134 PolarHBondContact O-N 3.17Å; T131-V135 PolarHBondContact O-N 2.62Å; T131-L175 HydrophobicContact CG2-CD1 3.94Å; T131-D185 VanDerWaalsContact C-OD2 3.22Å; T131-D185 WeakPolarHBondContact CA-OD2 3.26Å
132I98.2Very high94.2Very high3 Ų348.6 Ų48.62%0.01525%0.246CC..Hα-helixtrans-44-34.3169.1-171.7173.4000113M45 I86 L90 V135 A136 D185 L191M45-I132 HydrophobicContact CE-CD1 3.89Å; I86-I132 HydrophobicContact CB-CG2 4.24Å; I86-I132 HydrophobicContact CD1-CG2 3.88Å; I86-I132 HydrophobicContact CG2-CD1 4.36Å; I86-I132 HydrophobicContact CG2-CG2 3.73Å; L90-I132 HydrophobicContact CD1-CD1 4.38Å; L90-I132 HydrophobicContact CD1-CG1 4.39Å; I132-V135 PolarHBondContact O-N 3.49Å; I132-A136 VanDerWaalsContact O-CB 3.29Å; I132-A136 WeakPolarHBondContact O-CB 3.13Å; I132-A136 PolarHBondContact O-N 2.91Å; I132-D185 PolarHBondContact N-OD2 3.02Å; I132-L191 HydrophobicContact CD1-CB 4.16Å; I132-L191 HydrophobicContact CG1-CB 4.05Å; I132-L191 HydrophobicContact CG1-CD2 3.98Å
133L98Very high94.6Very high2 Ų240.6 Ų40.61%0.0121%0.211CC..Hα-helixtrans-66.5-37178.2-69175.7000112.9I86 A120 Y121 V124 P127 T131 K137I86-L133 HydrophobicContact CG2-CD2 3.7Å; I86-L133 HydrophobicContact CG2-CG 4.32Å; A120-L133 HydrophobicContact CB-CD2 3.83Å; Y121-L133 HydrophobicContact CD2-CB 4.49Å; Y121-L133 HydrophobicContact CD2-CD2 3.99Å; Y121-L133 HydrophobicContact CE2-CB 3.74Å; Y121-L133 HydrophobicContact CE2-CD2 4.03Å; Y121-L133 HydrophobicContact CE2-CG 4.38Å; Y121-L133 WeakPolarHBondContact CE2-O 3.42Å; Y121-L133 PolarHBondContact OH-O 3.44Å; Y121-L133 VanDerWaalsContact OH-O 3.09Å; V124-L133 HydrophobicContact CB-CD1 4.46Å; V124-L133 HydrophobicContact CG2-CD1 4.25Å; P127-L133 HydrophobicContact CB-CD1 3.91Å; T131-L133 PolarHBondContact O-N 3.49Å; T131-L133 PolarHBondContact OG1-N 2.9Å; L133-K137 WeakPolarHBondContact O-CB 3.49Å; L133-K137 PolarHBondContact O-N 2.85Å
134T98.5Very high95.3Very high2 Ų241.7 Ų41.71%0.01221%0.211CC..Hα-helixtrans-71.2-46.4176.8-55.40000110.4E129 G130 T131 A136 K137 D138 L174E129-T134 VanDerWaalsContact CA-OG1 3.28Å; E129-T134 WeakPolarHBondContact CA-OG1 3.22Å; E129-T134 WeakPolarHBondContact OE2-CB 3.4Å; E129-T134 WeakPolarHBondContact OE2-CG2 3.27Å; E129-T134 PolarHBondContact OE2-OG1 3.24Å; G130-T134 PolarHBondContact N-OG1 3.27Å; T131-T134 WeakPolarHBondContact O-CB 3.49Å; T131-T134 PolarHBondContact O-N 3.17Å; T134-A136 VanDerWaalsContact C-N 3.31Å; T134-A136 PolarHBondContact O-N 3.36Å; T134-K137 PolarHBondContact O-N 2.97Å; T134-D138 PolarHBondContact O-N 2.92Å; T134-L174 HydrophobicContact CG2-CD1 3.83Å
135V98.8Very high95.9Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-58.1-45.1177177.40000110.8T131 I132 A139 A164 L168 T171 L191T131-V135 PolarHBondContact O-N 2.62Å; I132-V135 PolarHBondContact O-N 3.49Å; V135-A139 WeakPolarHBondContact O-CB 3.43Å; V135-A139 PolarHBondContact O-N 2.91Å; V135-A139 VanDerWaalsContact O-N 3.1Å; V135-A164 HydrophobicContact CG1-CB 4.01Å; V135-L168 HydrophobicContact CG2-CB 4.14Å; V135-L168 HydrophobicContact CG2-CD1 4.2Å; V135-T171 HydrophobicContact CG2-CG2 4.14Å; V135-L191 HydrophobicContact CG1-CD2 4.45Å
136A98.8Very high96.8Very high1 Ų139.8 Ų39.81%0.00820%0.198CC..Hα-helixtrans-63.8-45.6176.800000112.5L90 V117 I132 T134 A139 A140 L191L90-A136 HydrophobicContact CD1-CB 3.96Å; L90-A136 HydrophobicContact CD2-CB 3.7Å; V117-A136 VanDerWaalsContact CG2-C 3.46Å; V117-A136 HydrophobicContact CG2-CB 3.85Å; V117-A136 WeakPolarHBondContact CG2-O 3.43Å; I132-A136 VanDerWaalsContact O-CB 3.29Å; I132-A136 WeakPolarHBondContact O-CB 3.13Å; I132-A136 PolarHBondContact O-N 2.91Å; T134-A136 VanDerWaalsContact C-N 3.31Å; T134-A136 PolarHBondContact O-N 3.36Å; A136-A139 PolarHBondContact O-N 3.34Å; A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.23Å; A136-A140 PolarHBondContact O-N 3.41Å; A136-L191 HydrophobicContact CB-CD2 3.67Å
137K98.7Very high97.4Very high57 Ų5732.1 Ų32.125%0.24817%0.167CC..Hα-helixtrans-60.6-50.8179.7176.7-17164.1-171.70111.9V117 Y121 E129 L133 T134 A139 A140 Q141V117-K137 HydrophobicContact CG1-CB 3.96Å; V117-K137 HydrophobicContact CG1-CG 4.36Å; Y121-K137 HydrophobicContact CE2-CB 4.23Å; E129-K137 IonicContact OE1-NZ 2.71Å; E129-K137 PolarHBondContact OE1-NZ 3.25Å; E129-K137 IonicContact OE2-NZ 3.01Å; E129-K137 PolarHBondContact OE2-NZ 3.49Å; L133-K137 WeakPolarHBondContact O-CB 3.49Å; L133-K137 PolarHBondContact O-N 2.85Å; T134-K137 PolarHBondContact O-N 2.97Å; K137-A139 VanDerWaalsContact C-N 3.32Å; K137-A139 PolarHBondContact O-N 3.21Å; K137-A140 PolarHBondContact O-N 3.16Å; K137-Q141 PolarHBondContact O-N 2.99Å
138D98.8Very high97.6Very high52 Ų5235.1 Ų35.128%0.27818%0.18SC..Hα-helixtrans-66.5-38.8-177.2-64.7-9.7000110.8T134 A142 S167T134-D138 PolarHBondContact O-N 2.92Å; D138-A142 VanDerWaalsContact O-CB 3.32Å; D138-A142 WeakPolarHBondContact O-CB 3.39Å; D138-A142 PolarHBondContact O-N 2.93Å; D138-S167 VanDerWaalsContact OD2-CB 3.32Å; D138-S167 WeakPolarHBondContact OD2-CB 3.11Å; D138-S167 PolarHBondContact OD2-OG 2.73Å
139A98.8Very high97.9Very high1 Ų138 Ų381%0.00819%0.193CC..Hα-helixtrans-64.2-42.7174.700000112.4V135 A136 K137 A142 A143 I160 A164 Y195V135-A139 WeakPolarHBondContact O-CB 3.43Å; V135-A139 PolarHBondContact O-N 2.91Å; V135-A139 VanDerWaalsContact O-N 3.1Å; A136-A139 PolarHBondContact O-N 3.34Å; K137-A139 VanDerWaalsContact C-N 3.32Å; K137-A139 PolarHBondContact O-N 3.21Å; A139-A142 PolarHBondContact O-N 2.72Å; A139-A143 PolarHBondContact O-N 2.84Å; A139-I160 HydrophobicContact CB-CG2 4.1Å; A139-A164 HydrophobicContact CB-CB 3.88Å; A139-Y195 HydrophobicContact CB-CE2 4.14Å
140A98.8Very high97.9Very high1 Ų134.9 Ų34.91%0.00818%0.179CC..Hα-helixtrans-67.3-43.4177.800000112.3F113 Q114 V117 A136 K137 A142 A143 I144F113-A140 HydrophobicContact CB-CB 4.02Å; Q114-A140 HydrophobicContact CB-CB 4.45Å; V117-A140 HydrophobicContact CG2-CB 3.75Å; A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.23Å; A136-A140 PolarHBondContact O-N 3.41Å; K137-A140 PolarHBondContact O-N 3.16Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 3.25Å; A140-A143 VanDerWaalsContact O-CB 3.27Å; A140-A143 WeakPolarHBondContact O-CB 3.27Å; A140-A143 PolarHBondContact O-N 2.97Å; A140-A143 VanDerWaalsContact O-N 3.12Å; A140-I144 WeakPolarHBondContact O-CG1 3.26Å; A140-I144 PolarHBondContact O-N 3.21Å; A140-I144 VanDerWaalsContact O-N 3.08Å
141Q98.6Very high97.9Very high100 Ų10041.5 Ų41.547%0.46721%0.21SC..Hα-helixtrans-60.3-45.5175.5-177.4178.1-15.400111.1K137 A143 I144 E145K137-Q141 PolarHBondContact O-N 2.99Å; Q141-A143 VanDerWaalsContact C-N 3.28Å; Q141-A143 PolarHBondContact O-N 3.37Å; Q141-I144 PolarHBondContact O-N 3.37Å; Q141-E145 PolarHBondContact NE2-OE1 2.92Å; Q141-E145 WeakPolarHBondContact O-CG 3.24Å; Q141-E145 PolarHBondContact O-N 2.9Å; Q141-E145 VanDerWaalsContact O-N 3.14Å
142A98.4Very high98Very high7 Ų741.5 Ų41.56%0.05821%0.209CC..Hα-helixtrans-60.1-37174.400000112.8D138 A139 A140 E145 K146 Y159 K163D138-A142 VanDerWaalsContact O-CB 3.32Å; D138-A142 WeakPolarHBondContact O-CB 3.39Å; D138-A142 PolarHBondContact O-N 2.93Å; A139-A142 PolarHBondContact O-N 2.72Å; A140-A142 VanDerWaalsContact C-N 3.33Å; A140-A142 PolarHBondContact O-N 3.25Å; A142-E145 PolarHBondContact O-N 3.29Å; A142-K146 VanDerWaalsContact O-CB 3.31Å; A142-K146 WeakPolarHBondContact O-CB 3.1Å; A142-K146 PolarHBondContact O-N 3.32Å; A142-Y159 HydrophobicContact CB-CD1 4.2Å; A142-Y159 HydrophobicContact CB-CE1 3.82Å; A142-K163 HydrophobicContact CB-CB 3.64Å; A142-K163 HydrophobicContact CB-CD 4.37Å; A142-K163 HydrophobicContact CB-CG 3.61Å
143A98.5Very high98Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-60.4-47.8175.600000111.4A110 A139 A140 Q141 E145 K146 A147 L156 I160A110-A143 HydrophobicContact CB-CB 3.69Å; A110-A143 WeakPolarHBondContact CB-O 3.07Å; A139-A143 PolarHBondContact O-N 2.84Å; A140-A143 VanDerWaalsContact O-CB 3.27Å; A140-A143 WeakPolarHBondContact O-CB 3.27Å; A140-A143 PolarHBondContact O-N 2.97Å; A140-A143 VanDerWaalsContact O-N 3.12Å; Q141-A143 VanDerWaalsContact C-N 3.28Å; Q141-A143 PolarHBondContact O-N 3.37Å; A143-E145 VanDerWaalsContact C-N 3.35Å; A143-E145 PolarHBondContact O-N 2.85Å; A143-K146 PolarHBondContact O-N 3.03Å; A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.28Å; A143-A147 PolarHBondContact O-N 2.88Å; A143-L156 HydrophobicContact CB-CD1 4.23Å; A143-L156 WeakPolarHBondContact O-CD1 3.39Å; A143-I160 HydrophobicContact CB-CD1 3.58Å; A143-I160 HydrophobicContact CB-CG1 3.69Å
144I98.5Very high98Very high60 Ų6042.5 Ų42.531%0.30821%0.214SC..Hα-helixtrans-60.5-45.1179.7-64.1-67.2000110.9A110 E111 Q114 A140 Q141 N148A110-I144 HydrophobicContact CB-CD1 4.01Å; E111-I144 HydrophobicContact CG-CD1 4.04Å; Q114-I144 HydrophobicContact CB-CD1 4.18Å; Q114-I144 HydrophobicContact CB-CG1 4.23Å; A140-I144 WeakPolarHBondContact O-CG1 3.26Å; A140-I144 PolarHBondContact O-N 3.21Å; A140-I144 VanDerWaalsContact O-N 3.08Å; Q141-I144 PolarHBondContact O-N 3.37Å; I144-N148 PolarHBondContact O-ND2 3.16Å
145E97.9Very high98Very high99 Ų9946 Ų4646%0.46323%0.231SC..Hα-helixtrans-62.9-45.5178.7-69.4176.1-166.500111.8Q141 A142 A143 N149Q141-E145 PolarHBondContact NE2-OE1 2.92Å; Q141-E145 WeakPolarHBondContact O-CG 3.24Å; Q141-E145 PolarHBondContact O-N 2.9Å; Q141-E145 VanDerWaalsContact O-N 3.14Å; A142-E145 PolarHBondContact O-N 3.29Å; A143-E145 VanDerWaalsContact C-N 3.35Å; A143-E145 PolarHBondContact O-N 2.85Å; E145-N149 PolarHBondContact O-ND2 3.4Å
146K98Very high98Very high44 Ų4446 Ų4619%0.19123%0.231CC..Hα-helixtrans-69.8-37.4-178.8-177.662.9177.8178.20112.7A142 A143 N148 N149 T150 E155 L156 Y159A142-K146 VanDerWaalsContact O-CB 3.31Å; A142-K146 WeakPolarHBondContact O-CB 3.1Å; A142-K146 PolarHBondContact O-N 3.32Å; A143-K146 PolarHBondContact O-N 3.03Å; K146-N148 PolarHBondContact O-N 2.99Å; K146-N148 VanDerWaalsContact O-N 3.16Å; K146-N149 PolarHBondContact O-N 2.81Å; K146-T150 HydrophobicContact CD-CG2 4.32Å; K146-T150 HydrophobicContact CG-CG2 3.99Å; K146-T150 PolarHBondContact O-N 3.45Å; K146-E155 WeakPolarHBondContact CE-OE1 3.21Å; K146-E155 IonicContact NZ-OE1 2.73Å; K146-E155 PolarHBondContact NZ-OE1 3.46Å; K146-L156 HydrophobicContact CB-CD1 3.78Å; K146-L156 HydrophobicContact CG-CD1 3.84Å; K146-Y159 HydrophobicContact CB-CD1 3.48Å; K146-Y159 VanDerWaalsContact CB-CD1 3.48Å; K146-Y159 HydrophobicContact CB-CE1 3.91Å; K146-Y159 HydrophobicContact CB-CG 4.19Å; K146-Y159 HydrophobicContact CD-CD1 4.16Å; K146-Y159 HydrophobicContact CD-CG 4.08Å; K146-Y159 HydrophobicContact CG-CD1 3.77Å; K146-Y159 HydrophobicContact CG-CE1 4.5Å; K146-Y159 HydrophobicContact CG-CG 3.95Å
147A97Very high97.9Very high12 Ų1246 Ų4610%0.09923%0.23CC..Hα-helixtrans-63.4-19.4-178.900000113.8A110 A143 N149 L156A110-A147 HydrophobicContact CB-CB 3.73Å; A143-A147 VanDerWaalsContact O-CB 3.25Å; A143-A147 WeakPolarHBondContact O-CB 3.28Å; A143-A147 PolarHBondContact O-N 2.88Å; A147-N149 PolarHBondContact O-N 3.35Å; A147-L156 HydrophobicContact CB-CD1 4.32Å; A147-L156 HydrophobicContact CB-CD2 4.48Å
148N96Very high97.9Very high118 Ų11846.8 Ų46.863%0.63124%0.235SC*.THydrogen-bonded Turntrans-69.9-17.7170.9-67.1-47.2000113.4I144 K146I144-N148 PolarHBondContact O-ND2 3.16Å; K146-N148 PolarHBondContact O-N 2.99Å; K146-N148 VanDerWaalsContact O-N 3.16Å
149N96.2Very high97.9Very high135 Ų13547.9 Ų47.972%0.72224%0.236SC*.THydrogen-bonded Turntrans-118.8-5.3-171.2-60.7-67.3000113.6E145 K146 A147E145-N149 PolarHBondContact O-ND2 3.4Å; K146-N149 PolarHBondContact O-N 2.81Å; A147-N149 PolarHBondContact O-N 3.35Å
150T96.7Very high97.9Very high13 Ų1347.9 Ų47.98%0.0824%0.235CC..  trans-144.8139.9178.1-169.90000112.6S106 K146 D152 E155 L156S106-T150 PolarHBondContact OG-O 2.78Å; K146-T150 HydrophobicContact CD-CG2 4.32Å; K146-T150 HydrophobicContact CG-CG2 3.99Å; K146-T150 PolarHBondContact O-N 3.45Å; T150-D152 PolarHBondContact OG1-N 3.36Å; T150-D152 VanDerWaalsContact OG1-N 3.09Å; T150-E155 VanDerWaalsContact CB-OE2 3.26Å; T150-E155 WeakPolarHBondContact CB-OE2 3.34Å; T150-E155 HydrophobicContact CG2-CB 4.47Å; T150-E155 PolarHBondContact OG1-OE2 3.01Å; T150-L156 HydrophobicContact CG2-CB 4.31Å
151E96.7Very high97.9Very high140 Ų14049 Ų4965%0.65424%0.241SC*.  trans-95.3-3.7169.3-64.9-174.5175.300112.1M1 S3 S106M1-E151 HydrophobicContact CE-CB 4.05Å; S3-E151 WeakPolarHBondContact CA-O 3.38Å; S106-E151 WeakPolarHBondContact OG-CA 3.34Å
152D98Very high97.9Very high25 Ų2547.8 Ų47.813%0.13424%0.24CC..  trans-89.5113.2-178.9-164.4-7.5000111.2M1 I2 T150 I154 E155 L156M1-D152 VanDerWaalsContact CA-CG 3.48Å; M1-D152 WeakPolarHBondContact CA-OD1 3.37Å; M1-D152 WeakPolarHBondContact CA-OD2 3.42Å; M1-D152 HydrophobicContact CE-CB 4.39Å; M1-D152 HydrophobicContact CG-CB 3.98Å; I2-D152 PolarHBondContact N-OD1 2.8Å; T150-D152 PolarHBondContact OG1-N 3.36Å; T150-D152 VanDerWaalsContact OG1-N 3.09Å; D152-I154 PolarHBondContact O-N 3.44Å; D152-I154 PolarHBondContact OD1-N 3.22Å; D152-I154 VanDerWaalsContact OD1-N 3.09Å; D152-E155 HydrophobicContact CB-CB 4.01Å; D152-E155 PolarHBondContact O-N 3.35Å; D152-L156 PolarHBondContact O-N 2.7Å
153C98Very high98Very high0 Ų050.2 Ų50.20%025%0.25CC..Hα-helixtrans-61.6-27.7176.1-65.20000112.6I2 I5 L109 M157 L202I2-C153 HydrophobicContact CB-CB 4.5Å; I2-C153 HydrophobicContact CG2-CB 4.29Å; I2-C153 WeakPolarHBondContact O-CB 3.39Å; I2-C153 PolarHBondContact O-N 2.8Å; I5-C153 HydrophobicContact CD1-CB 4.05Å; I5-C153 HydrophobicContact CG1-CB 4.37Å; L109-C153 HydrophobicContact CD2-CB 4.23Å; C153-M157 VanDerWaalsContact O-CB 3.31Å; C153-M157 WeakPolarHBondContact O-CB 3.04Å; C153-M157 PolarHBondContact O-N 3.43Å; C153-L202 HydrophobicContact CB-CD2 4.44Å
154I98.3Very high98Very high26 Ų2650.2 Ų50.213%0.13325%0.25CC..Hα-helixtrans-66.5-51.9175-64.8173000109.7I2 D152 L156 M157 E158 L199 L202 K203I2-I154 HydrophobicContact CB-CD1 4.44Å; I2-I154 HydrophobicContact CB-CG1 4.28Å; I2-I154 HydrophobicContact CG1-CD1 3.75Å; I2-I154 HydrophobicContact CG1-CG1 4.02Å; D152-I154 PolarHBondContact O-N 3.44Å; D152-I154 PolarHBondContact OD1-N 3.22Å; D152-I154 VanDerWaalsContact OD1-N 3.09Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.47Å; I154-M157 PolarHBondContact O-N 2.77Å; I154-M157 VanDerWaalsContact O-N 3.16Å; I154-E158 HydrophobicContact CG2-CG 4.44Å; I154-E158 WeakPolarHBondContact O-CG 3.31Å; I154-E158 PolarHBondContact O-N 2.71Å; I154-L199 HydrophobicContact CG2-CD1 4.05Å; I154-L202 HydrophobicContact CG1-CB 4Å; I154-K203 HydrophobicContact CG2-CG 4.25Å
155E98Very high98Very high75 Ų7550.2 Ų50.235%0.3525%0.25SS..Hα-helixtrans-62.4-37.4-179.4-168.3-169.3170.300111.5K146 T150 D152 Y159K146-E155 WeakPolarHBondContact CE-OE1 3.21Å; K146-E155 IonicContact NZ-OE1 2.73Å; K146-E155 PolarHBondContact NZ-OE1 3.46Å; T150-E155 VanDerWaalsContact CB-OE2 3.26Å; T150-E155 WeakPolarHBondContact CB-OE2 3.34Å; T150-E155 HydrophobicContact CG2-CB 4.47Å; T150-E155 PolarHBondContact OG1-OE2 3.01Å; D152-E155 HydrophobicContact CB-CB 4.01Å; D152-E155 PolarHBondContact O-N 3.35Å; E155-Y159 PolarHBondContact O-N 2.85Å; E155-Y159 VanDerWaalsContact O-N 3.16Å
156L98.6Very high98Very high0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-61.7-50173.1179.662.5000111.2S106 L109 A110 A143 K146 A147 T150 D152 I154 E158 Y159 I160S106-L156 WeakPolarHBondContact O-CD2 3.32Å; L109-L156 HydrophobicContact CB-CD2 4.38Å; L109-L156 HydrophobicContact CD2-CD2 4.06Å; L109-L156 HydrophobicContact CG-CD2 4.29Å; A110-L156 HydrophobicContact CB-CD2 4.21Å; A143-L156 HydrophobicContact CB-CD1 4.23Å; A143-L156 WeakPolarHBondContact O-CD1 3.39Å; K146-L156 HydrophobicContact CB-CD1 3.78Å; K146-L156 HydrophobicContact CG-CD1 3.84Å; A147-L156 HydrophobicContact CB-CD1 4.32Å; A147-L156 HydrophobicContact CB-CD2 4.48Å; T150-L156 HydrophobicContact CG2-CB 4.31Å; D152-L156 PolarHBondContact O-N 2.7Å; I154-L156 VanDerWaalsContact C-N 3.28Å; I154-L156 PolarHBondContact O-N 3.47Å; L156-E158 PolarHBondContact O-N 3.4Å; L156-Y159 WeakPolarHBondContact O-CB 3.49Å; L156-Y159 PolarHBondContact O-N 3Å; L156-I160 HydrophobicContact CD1-CD1 4.35Å; L156-I160 HydrophobicContact CG-CD1 4.01Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.29Å; L156-I160 PolarHBondContact O-N 3.14Å
157M98.6Very high98.1Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-67.4-35.9-177.4-164.370.7-142.900112.5F113 C153 I154 Y159 I160 I161 Y195 F198 L199 L202F113-M157 HydrophobicContact CE2-SD 4.22Å; F113-M157 HydrophobicContact CZ-CE 4.22Å; F113-M157 HydrophobicContact CZ-SD 4.01Å; C153-M157 VanDerWaalsContact O-CB 3.31Å; C153-M157 WeakPolarHBondContact O-CB 3.04Å; C153-M157 PolarHBondContact O-N 3.43Å; I154-M157 PolarHBondContact O-N 2.77Å; I154-M157 VanDerWaalsContact O-N 3.16Å; M157-Y159 VanDerWaalsContact C-N 3.32Å; M157-Y159 PolarHBondContact O-N 2.79Å; M157-I160 HydrophobicContact CE-CB 4.35Å; M157-I160 HydrophobicContact CE-CG2 3.87Å; M157-I160 PolarHBondContact O-N 3.42Å; M157-I160 HydrophobicContact SD-CD1 4.19Å; M157-I161 HydrophobicContact CE-CD1 4.41Å; M157-I161 HydrophobicContact CE-CG1 4.2Å; M157-I161 HydrophobicContact CG-CD1 4.36Å; M157-I161 WeakPolarHBondContact O-CG1 3.44Å; M157-I161 PolarHBondContact O-N 3.27Å; M157-Y195 HydrophobicContact CE-CD1 3.98Å; M157-Y195 HydrophobicContact CE-CD2 4.22Å; M157-Y195 HydrophobicContact CE-CG 3.6Å; M157-F198 HydrophobicContact CE-CB 4.4Å; M157-F198 HydrophobicContact SD-CB 4.47Å; M157-L199 HydrophobicContact CB-CD1 4.02Å; M157-L199 HydrophobicContact CG-CB 3.95Å; M157-L199 HydrophobicContact CG-CD1 4.29Å; M157-L202 HydrophobicContact CB-CD1 3.84Å; M157-L202 HydrophobicContact CG-CD1 4.06Å
158E98.5Very high98.1Very high75 Ų7548 Ų4835%0.3524%0.239SC..Hα-helixtrans-58.4-44.6170.7-73.6178.6155.600111.4I154 L156 I161 V162 L199 K203I154-E158 HydrophobicContact CG2-CG 4.44Å; I154-E158 WeakPolarHBondContact O-CG 3.31Å; I154-E158 PolarHBondContact O-N 2.71Å; L156-E158 PolarHBondContact O-N 3.4Å; E158-I161 PolarHBondContact O-N 3.16Å; E158-V162 WeakPolarHBondContact O-CG2 3.47Å; E158-V162 PolarHBondContact O-N 2.92Å; E158-V162 VanDerWaalsContact O-N 3.11Å; E158-L199 HydrophobicContact CG-CD1 3.7Å; E158-L199 HydrophobicContact CG-CD2 3.67Å; E158-L199 HydrophobicContact CG-CG 4.36Å; E158-K203 WeakPolarHBondContact OE1-CE 3.42Å; E158-K203 IonicContact OE1-NZ 3.56Å; E158-K203 PolarHBondContact OE1-NZ 3.29Å
159Y98.5Very high98.2Very high75 Ų7547.9 Ų47.929%0.29424%0.235SC..Hα-helixtrans-67.3-40.4178.4-169.7-108000112.6A142 K146 E155 L156 M157 I161 V162 K163A142-Y159 HydrophobicContact CB-CD1 4.2Å; A142-Y159 HydrophobicContact CB-CE1 3.82Å; K146-Y159 HydrophobicContact CB-CD1 3.48Å; K146-Y159 VanDerWaalsContact CB-CD1 3.48Å; K146-Y159 HydrophobicContact CB-CE1 3.91Å; K146-Y159 HydrophobicContact CB-CG 4.19Å; K146-Y159 HydrophobicContact CD-CD1 4.16Å; K146-Y159 HydrophobicContact CD-CG 4.08Å; K146-Y159 HydrophobicContact CG-CD1 3.77Å; K146-Y159 HydrophobicContact CG-CE1 4.5Å; K146-Y159 HydrophobicContact CG-CG 3.95Å; E155-Y159 PolarHBondContact O-N 2.85Å; E155-Y159 VanDerWaalsContact O-N 3.16Å; L156-Y159 WeakPolarHBondContact O-CB 3.49Å; L156-Y159 PolarHBondContact O-N 3Å; M157-Y159 VanDerWaalsContact C-N 3.32Å; M157-Y159 PolarHBondContact O-N 2.79Å; Y159-I161 VanDerWaalsContact C-N 3.33Å; Y159-I161 PolarHBondContact O-N 3.2Å; Y159-V162 PolarHBondContact O-N 3.25Å; Y159-K163 HydrophobicContact CD1-CG 4.35Å; Y159-K163 HydrophobicContact CE1-CG 3.98Å; Y159-K163 HydrophobicContact CE2-CG 4.38Å; Y159-K163 PolarHBondContact O-N 3.15Å; Y159-K163 WeakPolarHBondContact OH-CE 3.3Å
160I98.7Very high98.4Very high0 Ų044.5 Ų44.50%022%0.217CC..Hα-helixtrans-56.7-47.7173.9-71.2171.7000110.4F113 A139 A143 L156 M157 V162 K163 A164 Y195F113-I160 HydrophobicContact CD2-CD1 3.79Å; F113-I160 HydrophobicContact CE2-CD1 3.63Å; F113-I160 HydrophobicContact CZ-CD1 4.44Å; A139-I160 HydrophobicContact CB-CG2 4.1Å; A143-I160 HydrophobicContact CB-CD1 3.58Å; A143-I160 HydrophobicContact CB-CG1 3.69Å; L156-I160 HydrophobicContact CD1-CD1 4.35Å; L156-I160 HydrophobicContact CG-CD1 4.01Å; L156-I160 VanDerWaalsContact O-CG1 3.31Å; L156-I160 WeakPolarHBondContact O-CG1 3.29Å; L156-I160 PolarHBondContact O-N 3.14Å; M157-I160 HydrophobicContact CE-CB 4.35Å; M157-I160 HydrophobicContact CE-CG2 3.87Å; M157-I160 PolarHBondContact O-N 3.42Å; M157-I160 HydrophobicContact SD-CD1 4.19Å; I160-V162 PolarHBondContact O-N 3.08Å; I160-K163 PolarHBondContact O-N 3.48Å; I160-A164 VanDerWaalsContact O-CB 3.23Å; I160-A164 WeakPolarHBondContact O-CB 3.34Å; I160-A164 PolarHBondContact O-N 2.89Å; I160-Y195 HydrophobicContact CG2-CD2 3.95Å; I160-Y195 HydrophobicContact CG2-CE2 4.1Å
161I98.8Very high98.4Very high24 Ų2443.9 Ų43.912%0.12321%0.213CC..Hα-helixtrans-62.5-44.3-180-74.5162.2000111.4M157 E158 Y159 K163 A164 N165 L192 E196 L199M157-I161 HydrophobicContact CE-CD1 4.41Å; M157-I161 HydrophobicContact CE-CG1 4.2Å; M157-I161 HydrophobicContact CG-CD1 4.36Å; M157-I161 WeakPolarHBondContact O-CG1 3.44Å; M157-I161 PolarHBondContact O-N 3.27Å; E158-I161 PolarHBondContact O-N 3.16Å; Y159-I161 VanDerWaalsContact C-N 3.33Å; Y159-I161 PolarHBondContact O-N 3.2Å; I161-K163 VanDerWaalsContact C-N 3.33Å; I161-K163 PolarHBondContact O-N 2.83Å; I161-A164 PolarHBondContact O-N 2.96Å; I161-N165 WeakPolarHBondContact O-CB 3.04Å; I161-N165 PolarHBondContact O-N 2.73Å; I161-L192 HydrophobicContact CB-CD1 4.49Å; I161-L192 HydrophobicContact CG2-CD1 4.03Å; I161-E196 HydrophobicContact CD1-CG 4.45Å; I161-E196 HydrophobicContact CG2-CG 4.36Å; I161-L199 HydrophobicContact CD1-CB 3.53Å; I161-L199 HydrophobicContact CD1-CD2 3.56Å; I161-L199 HydrophobicContact CD1-CG 4.14Å
162V98.7Very high98.4Very high75 Ų7538.3 Ų38.346%0.45519%0.189SC..Hα-helixtrans-58.9-46.5176.8171.80000110.6E158 Y159 I160 N165 E166E158-V162 WeakPolarHBondContact O-CG2 3.47Å; E158-V162 PolarHBondContact O-N 2.92Å; E158-V162 VanDerWaalsContact O-N 3.11Å; Y159-V162 PolarHBondContact O-N 3.25Å; I160-V162 PolarHBondContact O-N 3.08Å; V162-N165 PolarHBondContact O-N 3.45Å; V162-E166 WeakPolarHBondContact O-CG 3.13Å; V162-E166 PolarHBondContact O-N 2.94Å
163K98.8Very high98.4Very high59 Ų5942.3 Ų42.326%0.25721%0.21SC..Hα-helixtrans-72.6-36.2-178.2-70.8-73.4169.6-157.80113.4A142 Y159 I160 I161 N165 E166 S167A142-K163 HydrophobicContact CB-CB 3.64Å; A142-K163 HydrophobicContact CB-CD 4.37Å; A142-K163 HydrophobicContact CB-CG 3.61Å; Y159-K163 HydrophobicContact CD1-CG 4.35Å; Y159-K163 HydrophobicContact CE1-CG 3.98Å; Y159-K163 HydrophobicContact CE2-CG 4.38Å; Y159-K163 PolarHBondContact O-N 3.15Å; Y159-K163 WeakPolarHBondContact OH-CE 3.3Å; I160-K163 PolarHBondContact O-N 3.48Å; I161-K163 VanDerWaalsContact C-N 3.33Å; I161-K163 PolarHBondContact O-N 2.83Å; K163-N165 VanDerWaalsContact C-N 3.34Å; K163-E166 IonicContact NZ-OE1 3.02Å; K163-E166 IonicContact NZ-OE2 2.72Å; K163-E166 PolarHBondContact NZ-OE2 2.76Å; K163-E166 PolarHBondContact O-N 3.13Å; K163-S167 WeakPolarHBondContact O-CB 3.23Å; K163-S167 PolarHBondContact O-N 3.3Å
164A98.8Very high98.4Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-61.2-43.5170.400000111V135 A139 I160 I161 S167 L168 L192 Y195V135-A164 HydrophobicContact CG1-CB 4.01Å; A139-A164 HydrophobicContact CB-CB 3.88Å; I160-A164 VanDerWaalsContact O-CB 3.23Å; I160-A164 WeakPolarHBondContact O-CB 3.34Å; I160-A164 PolarHBondContact O-N 2.89Å; I161-A164 PolarHBondContact O-N 2.96Å; A164-S167 PolarHBondContact O-N 2.78Å; A164-L168 VanDerWaalsContact O-CB 3.3Å; A164-L168 WeakPolarHBondContact O-CB 3.39Å; A164-L168 PolarHBondContact O-N 2.81Å; A164-L192 HydrophobicContact CB-CD1 3.9Å; A164-Y195 HydrophobicContact CB-CD2 4.31Å
165N98.7Very high98.2Very high60 Ų6046.8 Ų46.832%0.32123%0.234SC..Hα-helixtrans-67.3-42.6177.3-167.886.2000112.1I161 V162 K163 S167 L168 E169 L192I161-N165 WeakPolarHBondContact O-CB 3.04Å; I161-N165 PolarHBondContact O-N 2.73Å; V162-N165 PolarHBondContact O-N 3.45Å; K163-N165 VanDerWaalsContact C-N 3.34Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.32Å; N165-L168 WeakPolarHBondContact O-CB 3.21Å; N165-L168 PolarHBondContact O-N 2.86Å; N165-E169 VanDerWaalsContact O-CG 3.31Å; N165-E169 WeakPolarHBondContact O-CG 3.38Å; N165-E169 PolarHBondContact O-N 2.82Å; N165-L192 HydrophobicContact CB-CD1 4.5Å; N165-L192 HydrophobicContact CB-CD2 3.98Å; N165-L192 WeakPolarHBondContact OD1-CD2 3.47Å
166E98.8Very high97.9Very high100 Ų10047.1 Ų47.147%0.46725%0.249SC..Hα-helixtrans-58.7-42173.2-74.9175.6-165.100112.1V162 K163 N170V162-E166 WeakPolarHBondContact O-CG 3.13Å; V162-E166 PolarHBondContact O-N 2.94Å; K163-E166 IonicContact NZ-OE1 3.02Å; K163-E166 IonicContact NZ-OE2 2.72Å; K163-E166 PolarHBondContact NZ-OE2 2.76Å; K163-E166 PolarHBondContact O-N 3.13Å; E166-N170 PolarHBondContact O-N 2.8Å
167S98.8Very high97.5Very high6 Ų649.4 Ų49.44%0.04226%0.263CS..Hα-helixtrans-65.2-44.2175.6-175.90000111.5D138 K163 A164 N165 N170 T171D138-S167 VanDerWaalsContact OD2-CB 3.32Å; D138-S167 WeakPolarHBondContact OD2-CB 3.11Å; D138-S167 PolarHBondContact OD2-OG 2.73Å; K163-S167 WeakPolarHBondContact O-CB 3.23Å; K163-S167 PolarHBondContact O-N 3.3Å; A164-S167 PolarHBondContact O-N 2.78Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.32Å; S167-N170 CarbonylContact O-C 3.54Å; S167-N170 WeakPolarHBondContact O-CA 3.42Å; S167-N170 WeakPolarHBondContact O-CB 3.25Å; S167-N170 PolarHBondContact O-N 3.18Å; S167-T171 PolarHBondContact O-N 2.96Å; S167-T171 VanDerWaalsContact O-N 3.17Å
168L98.6Very high97.2Very high1 Ų149.7 Ų49.71%0.00527%0.265CS..Hα-helixtrans-58.6-48.7176.7-179.664.5000112V135 A164 N165 N170 T171 V184 D185 K189 L192V135-L168 HydrophobicContact CG2-CB 4.14Å; V135-L168 HydrophobicContact CG2-CD1 4.2Å; A164-L168 VanDerWaalsContact O-CB 3.3Å; A164-L168 WeakPolarHBondContact O-CB 3.39Å; A164-L168 PolarHBondContact O-N 2.81Å; N165-L168 WeakPolarHBondContact O-CB 3.21Å; N165-L168 PolarHBondContact O-N 2.86Å; L168-N170 PolarHBondContact O-N 2.94Å; L168-N170 VanDerWaalsContact O-N 3.16Å; L168-T171 WeakPolarHBondContact O-CG2 3.4Å; L168-T171 PolarHBondContact O-N 3.46Å; L168-T171 PolarHBondContact O-OG1 3.01Å; L168-V184 HydrophobicContact CD1-CB 3.81Å; L168-V184 HydrophobicContact CD1-CG2 3.87Å; L168-V184 HydrophobicContact CD2-CG2 4.2Å; L168-V184 HydrophobicContact CG-CB 3.92Å; L168-V184 HydrophobicContact CG-CG1 4.37Å; L168-V184 HydrophobicContact CG-CG2 3.92Å; L168-V184 WeakPolarHBondContact O-CG1 3.4Å; L168-D185 HydrophobicContact CD1-CB 4.35Å; L168-D185 WeakPolarHBondContact CD1-O 3.28Å; L168-K189 HydrophobicContact CD1-CB 4.41Å; L168-K189 HydrophobicContact CD2-CB 4.02Å; L168-K189 HydrophobicContact CD2-CD 3.81Å; L168-L192 HydrophobicContact CD2-CD2 3.77Å
169E98.5Very high96.9Very high117 Ų11752.5 Ų52.555%0.54728%0.276SS..Hα-helixtrans-63-21.1176.9-68.6-61.7147.200112.7N165 P172N165-E169 VanDerWaalsContact O-CG 3.31Å; N165-E169 WeakPolarHBondContact O-CG 3.38Å; N165-E169 PolarHBondContact O-N 2.82Å; E169-P172 WeakPolarHBondContact O-CD 3.43Å
170N98.4Very high96.4Very high64 Ų6452.3 Ų52.334%0.34228%0.278SS..Hα-helixtrans-90.6-9.3176.6-169.358.5000113.6E166 S167 L168 P172 N173E166-N170 PolarHBondContact O-N 2.8Å; S167-N170 CarbonylContact O-C 3.54Å; S167-N170 WeakPolarHBondContact O-CA 3.42Å; S167-N170 WeakPolarHBondContact O-CB 3.25Å; S167-N170 PolarHBondContact O-N 3.18Å; L168-N170 PolarHBondContact O-N 2.94Å; L168-N170 VanDerWaalsContact O-N 3.16Å; N170-P172 VanDerWaalsContact C-N 3.31Å; N170-N173 WeakPolarHBondContact O-CB 3.43Å; N170-N173 PolarHBondContact O-N 3.11Å; N170-N173 WeakPolarHBondContact OD1-CB 3.38Å; N170-N173 PolarHBondContact OD1-ND2 3.35Å
171T98.2Very high95.9Very high0 Ų053.7 Ų53.70%029%0.286CS..Hα-helixtrans-56.8-35.3178.5650000114G130 V135 S167 L168 N173 L174 L175 D185G130-T171 WeakPolarHBondContact O-CB 3.14Å; G130-T171 WeakPolarHBondContact O-CG2 3.43Å; V135-T171 HydrophobicContact CG2-CG2 4.14Å; S167-T171 PolarHBondContact O-N 2.96Å; S167-T171 VanDerWaalsContact O-N 3.17Å; L168-T171 WeakPolarHBondContact O-CG2 3.4Å; L168-T171 PolarHBondContact O-N 3.46Å; L168-T171 PolarHBondContact O-OG1 3.01Å; T171-N173 PolarHBondContact O-N 2.82Å; T171-L174 PolarHBondContact O-N 3.22Å; T171-L175 PolarHBondContact O-N 2.69Å; T171-D185 HydrophobicContact CG2-CB 3.97Å; T171-D185 PolarHBondContact OG1-N 3.37Å
172P96.8Very high95.5Very high23 Ų2355.5 Ų55.515%0.14931%0.31CS..Hα-helixtrans-64.2-21.1173.8-19.133.4000113.6E169 N170 L174 L178 K179 V183 V184E169-P172 WeakPolarHBondContact O-CD 3.43Å; N170-P172 VanDerWaalsContact C-N 3.31Å; P172-L174 VanDerWaalsContact C-N 3.33Å; P172-L178 HydrophobicContact CB-CB 4.31Å; P172-K179 VanDerWaalsContact O-CB 3.27Å; P172-K179 WeakPolarHBondContact O-CB 3.48Å; P172-V183 WeakPolarHBondContact CG-O 3.36Å; P172-V184 HydrophobicContact CG-CG1 4.22Å
173N97.6Very high95.2Very high108 Ų10853.1 Ų53.158%0.57830%0.296SS*.Hα-helixtrans-82.7-13.6173.7-64.4-43.9000112.9N170 T171N170-N173 WeakPolarHBondContact O-CB 3.43Å; N170-N173 PolarHBondContact O-N 3.11Å; N170-N173 WeakPolarHBondContact OD1-CB 3.38Å; N170-N173 PolarHBondContact OD1-ND2 3.35Å; T171-N173 PolarHBondContact O-N 2.82Å
174L97Very high95.2Very high79 Ų7951.2 Ų51.241%0.41429%0.29SS..Hα-helixtrans-99.1-33.3-178.8-61.3176.4000112.2T134 T171 P172T134-L174 HydrophobicContact CG2-CD1 3.83Å; T171-L174 PolarHBondContact O-N 3.22Å; P172-L174 VanDerWaalsContact C-N 3.33Å
175L94.1Very high95.1Very high41 Ų4152.2 Ų52.222%0.21530%0.295CS..  trans-120122.9177.6-67.4175.8000111.7V128 E129 G130 T131 T171 V177 L178 K179V128-L175 HydrophobicContact CG1-CD1 4.34Å; V128-L175 HydrophobicContact CG1-CD2 3.73Å; E129-L175 VanDerWaalsContact O-CD2 3.24Å; E129-L175 WeakPolarHBondContact O-CD2 3.34Å; E129-L175 VanDerWaalsContact O-CG 3.24Å; E129-L175 WeakPolarHBondContact O-CG 3.39Å; G130-L175 WeakPolarHBondContact O-CD1 3.49Å; T131-L175 HydrophobicContact CG2-CD1 3.94Å; T171-L175 PolarHBondContact O-N 2.69Å; L175-V177 VanDerWaalsContact C-N 3.32Å; L175-V177 HydrophobicContact CB-CG1 4.49Å; L175-V177 PolarHBondContact O-N 2.76Å; L175-L178 HydrophobicContact CB-CB 4.29Å; L175-L178 HydrophobicContact CB-CD1 3.97Å; L175-L178 HydrophobicContact CB-CG 4.04Å; L175-L178 HydrophobicContact CD1-CD1 3.98Å; L175-L178 HydrophobicContact CD1-CG 4.45Å; L175-L178 HydrophobicContact CG-CD1 4.47Å; L175-L178 PolarHBondContact O-N 2.76Å; L175-K179 PolarHBondContact O-N 2.79Å
176A91.5Very high95Very high82 Ų8249.9 Ų49.968%0.67828%0.283SS*.Hα-helixtrans-59.9-40-178.300000112.8L178 K179 E180A176-L178 VanDerWaalsContact C-N 3.35Å; A176-L178 PolarHBondContact O-N 3.2Å; A176-K179 VanDerWaalsContact O-CB 3.29Å; A176-K179 WeakPolarHBondContact O-CB 3.3Å; A176-K179 PolarHBondContact O-N 3.16Å; A176-K179 VanDerWaalsContact O-N 3.12Å; A176-E180 PolarHBondContact O-N 2.99Å
177V90.2Very high94.9Very high49 Ų4945.1 Ų45.130%0.29726%0.261SS..Hα-helixtrans-62.2-40179.666.60000112.3V33 L175 K179 E180 V181V33-V177 HydrophobicContact CB-CG2 4.13Å; V33-V177 HydrophobicContact CG1-CG2 4.45Å; V33-V177 HydrophobicContact CG2-CG2 4.11Å; L175-V177 VanDerWaalsContact C-N 3.32Å; L175-V177 HydrophobicContact CB-CG1 4.49Å; L175-V177 PolarHBondContact O-N 2.76Å; V177-K179 VanDerWaalsContact C-N 3.31Å; V177-K179 PolarHBondContact O-N 3.14Å; V177-E180 PolarHBondContact O-N 2.95Å; V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 2.71Å; V177-V181 VanDerWaalsContact O-N 3.14Å
178L93.1Very high94.9Very high5 Ų544.8 Ų44.83%0.02626%0.259CS..Hα-helixtrans-63.3-40.3174.7-70.7-179.3000111.1V33 G130 P172 L175 A176 G182 V183 D185V33-L178 HydrophobicContact CG1-CD2 3.43Å; V33-L178 VanDerWaalsContact CG1-CD2 3.43Å; V33-L178 HydrophobicContact CG1-CG 4.41Å; G130-L178 WeakPolarHBondContact O-CD1 3.07Å; P172-L178 HydrophobicContact CB-CB 4.31Å; L175-L178 HydrophobicContact CB-CB 4.29Å; L175-L178 HydrophobicContact CB-CD1 3.97Å; L175-L178 HydrophobicContact CB-CG 4.04Å; L175-L178 HydrophobicContact CD1-CD1 3.98Å; L175-L178 HydrophobicContact CD1-CG 4.45Å; L175-L178 HydrophobicContact CG-CD1 4.47Å; L175-L178 PolarHBondContact O-N 2.76Å; A176-L178 VanDerWaalsContact C-N 3.35Å; A176-L178 PolarHBondContact O-N 3.2Å; L178-G182 WeakPolarHBondContact O-CA 3.49Å; L178-G182 PolarHBondContact O-N 3.06Å; L178-V183 WeakPolarHBondContact CB-O 3.39Å; L178-V183 HydrophobicContact CD2-CG2 4.1Å; L178-V183 PolarHBondContact O-N 2.88Å; L178-V183 VanDerWaalsContact O-N 3.1Å; L178-D185 HydrophobicContact CD1-CB 4.09Å
179K92.3Very high94.9Very high135 Ų13546.6 Ų46.659%0.58727%0.266SS*.Hα-helixtrans-64.9-41.5176.8-158.9171177.61660113.3P172 L175 A176 V177 G182P172-K179 VanDerWaalsContact O-CB 3.27Å; P172-K179 WeakPolarHBondContact O-CB 3.48Å; L175-K179 PolarHBondContact O-N 2.79Å; A176-K179 VanDerWaalsContact O-CB 3.29Å; A176-K179 WeakPolarHBondContact O-CB 3.3Å; A176-K179 PolarHBondContact O-N 3.16Å; A176-K179 VanDerWaalsContact O-N 3.12Å; V177-K179 VanDerWaalsContact C-N 3.31Å; V177-K179 PolarHBondContact O-N 3.14Å; K179-G182 PolarHBondContact O-N 3.45Å
180E88.4Confident94.9Very high70 Ų7041 Ų4133%0.32724%0.24SC..Hα-helixtrans-67.1-43.4-177.4-164.2178.4-174.200110.9A176 V177 K457 D459 G460A176-E180 PolarHBondContact O-N 2.99Å; V177-E180 PolarHBondContact O-N 2.95Å; E180-K457 WeakPolarHBondContact CG-O 3.27Å; E180-D459 PolarHBondContact OE1-N 3.13Å; E180-D459 PolarHBondContact OE2-N 3.18Å; E180-G460 PolarHBondContact OE1-N 3.44Å; E180-G460 VanDerWaalsContact OE1-N 3.16Å
181V87.9Confident94.9Very high29 Ų2938 Ų3818%0.17622%0.224CC..Hα-helixtrans-76.7-24.3176.3-178.60000111.9V33 V177 V183 I458V33-V181 HydrophobicContact CB-CG2 4.32Å; V33-V181 HydrophobicContact CG1-CG2 4.45Å; V177-V181 WeakPolarHBondContact O-CG2 3.29Å; V177-V181 PolarHBondContact O-N 2.71Å; V177-V181 VanDerWaalsContact O-N 3.14Å; V181-V183 HydrophobicContact CB-CG2 4.09Å; V181-V183 HydrophobicContact CG1-CG1 4.06Å; V181-V183 HydrophobicContact CG1-CG2 3.81Å; V181-I458 HydrophobicContact CG2-CD1 4.41Å; V181-I458 HydrophobicContact CG2-CG1 4.04Å
182G90.1Very high94.9Very high62 Ų6238 Ų3864%0.63922%0.224SC*.THydrogen-bonded Turntrans79.229.9179.400000113.9L178 K179L178-G182 WeakPolarHBondContact O-CA 3.49Å; L178-G182 PolarHBondContact O-N 3.06Å; K179-G182 PolarHBondContact O-N 3.45Å
183V93.6Very high95Very high25 Ų2536.9 Ų36.915%0.15222%0.217CC..  trans-121.9154.1-179.1-64.50000111.2L31 V33 P172 L178 V181L31-V183 HydrophobicContact CD2-CB 4.13Å; L31-V183 HydrophobicContact CD2-CG1 4.22Å; V33-V183 HydrophobicContact CG1-CG2 3.71Å; P172-V183 WeakPolarHBondContact CG-O 3.36Å; L178-V183 WeakPolarHBondContact CB-O 3.39Å; L178-V183 HydrophobicContact CD2-CG2 4.1Å; L178-V183 PolarHBondContact O-N 2.88Å; L178-V183 VanDerWaalsContact O-N 3.1Å; V181-V183 HydrophobicContact CB-CG2 4.09Å; V181-V183 HydrophobicContact CG1-CG1 4.06Å; V181-V183 HydrophobicContact CG1-CG2 3.81Å
184V97Very high95.1Very high20 Ų2031.7 Ų31.712%0.12119%0.19CC..  trans-81.9168.8170.1-61.10000110.8L31 L168 P172 S186L31-V184 HydrophobicContact CD1-CG2 4.08Å; L31-V184 HydrophobicContact CD2-CG2 4.39Å; L168-V184 HydrophobicContact CD1-CB 3.81Å; L168-V184 HydrophobicContact CD1-CG2 3.87Å; L168-V184 HydrophobicContact CD2-CG2 4.2Å; L168-V184 HydrophobicContact CG-CB 3.92Å; L168-V184 HydrophobicContact CG-CG1 4.37Å; L168-V184 HydrophobicContact CG-CG2 3.92Å; L168-V184 WeakPolarHBondContact O-CG1 3.4Å; P172-V184 HydrophobicContact CG-CG1 4.22Å; V184-S186 PolarHBondContact O-N 3.25Å
185D97.4Very high95.2Very high20 Ų2028.3 Ų28.311%0.10717%0.171CC..  trans-63.5125.4178.1-177.261.6000112T131 I132 L168 T171 L178 G187 G188 K189T131-D185 VanDerWaalsContact C-OD2 3.22Å; T131-D185 WeakPolarHBondContact CA-OD2 3.26Å; I132-D185 PolarHBondContact N-OD2 3.02Å; L168-D185 HydrophobicContact CD1-CB 4.35Å; L168-D185 WeakPolarHBondContact CD1-O 3.28Å; T171-D185 HydrophobicContact CG2-CB 3.97Å; T171-D185 PolarHBondContact OG1-N 3.37Å; L178-D185 HydrophobicContact CD1-CB 4.09Å; D185-G187 PolarHBondContact OD2-N 3.07Å; D185-G188 PolarHBondContact O-N 2.89Å; D185-G188 PolarHBondContact OD2-N 3.49Å; D185-K189 PolarHBondContact O-N 3.14Å
186S96.4Very high95.4Very high11 Ų1129 Ų298%0.07717%0.173CC..Hα-helixtrans-63.6-45.7-179.7510000111.7V28 T41 V184 G188 K189 G190V28-S186 VanDerWaalsContact CG1-O 3.27Å; V28-S186 WeakPolarHBondContact CG1-O 3.39Å; V28-S186 VanDerWaalsContact O-CB 3.31Å; V28-S186 WeakPolarHBondContact O-CB 3.41Å; T41-S186 WeakPolarHBondContact CG2-OG 3.18Å; T41-S186 PolarHBondContact OG1-OG 2.97Å; V184-S186 PolarHBondContact O-N 3.25Å; S186-G188 PolarHBondContact O-N 3.35Å; S186-K189 PolarHBondContact O-N 3.23Å; S186-G190 PolarHBondContact O-N 3.08Å
187G97.4Very high95.7Very high0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-60.8-43.3177.900000112.7D185 G190 L191D185-G187 PolarHBondContact OD2-N 3.07Å; G187-G190 PolarHBondContact O-N 3.41Å; G187-L191 PolarHBondContact O-N 2.88Å
188G98.4Very high96.1Very high0 Ų022.7 Ų22.70%013%0.127CC..Hα-helixtrans-61.7-41174.500000112.5D185 S186 L191 L192D185-G188 PolarHBondContact O-N 2.89Å; D185-G188 PolarHBondContact OD2-N 3.49Å; S186-G188 PolarHBondContact O-N 3.35Å; G188-L191 PolarHBondContact O-N 2.98Å; G188-L192 WeakPolarHBondContact O-CB 3.48Å; G188-L192 PolarHBondContact O-N 2.89Å
189K98.6Very high96.4Very high38 Ų3823.5 Ų23.517%0.16513%0.131CC..Hα-helixtrans-64.1-42.6173.2-178.659.9-177.8172.50111.7V28 L31 L168 D185 S186 L191 L192 C193V28-K189 HydrophobicContact CG2-CG 4.17Å; L31-K189 HydrophobicContact CD1-CB 3.71Å; L31-K189 HydrophobicContact CD1-CG 3.64Å; L168-K189 HydrophobicContact CD1-CB 4.41Å; L168-K189 HydrophobicContact CD2-CB 4.02Å; L168-K189 HydrophobicContact CD2-CD 3.81Å; D185-K189 PolarHBondContact O-N 3.14Å; S186-K189 PolarHBondContact O-N 3.23Å; K189-L191 PolarHBondContact O-N 3.33Å; K189-L192 HydrophobicContact CD-CD2 4.45Å; K189-L192 WeakPolarHBondContact O-CB 3.46Å; K189-L192 PolarHBondContact O-N 3.06Å; K189-C193 PolarHBondContact O-N 3.16Å; K189-C193 PolarHBondContact O-SG 3.14Å
190G98.6Very high96.7Very high0 Ų020.1 Ų20.10%012%0.116CC..Hα-helixtrans-59.4-45.1175.400000112.1S186 G187 L192 C193 V194S186-G190 PolarHBondContact O-N 3.08Å; G187-G190 PolarHBondContact O-N 3.41Å; G190-L192 PolarHBondContact O-N 3.25Å; G190-C193 WeakPolarHBondContact O-CB 3.49Å; G190-C193 PolarHBondContact O-N 3.16Å; G190-V194 PolarHBondContact O-N 3.31Å; G190-V194 VanDerWaalsContact O-N 3.14Å
191L98.8Very high97.1Very high0 Ų017.1 Ų17.10%010%0.103CC..Hα-helixtrans-61-43.4175.4-17864.8000111.9L87 L90 I132 V135 A136 G187 G188 K189 C193 V194 Y195L87-L191 HydrophobicContact CD1-CD1 3.7Å; L90-L191 HydrophobicContact CD1-CD1 4.1Å; L90-L191 HydrophobicContact CD1-CD2 4.06Å; I132-L191 HydrophobicContact CD1-CB 4.16Å; I132-L191 HydrophobicContact CG1-CB 4.05Å; I132-L191 HydrophobicContact CG1-CD2 3.98Å; V135-L191 HydrophobicContact CG1-CD2 4.45Å; A136-L191 HydrophobicContact CB-CD2 3.67Å; G187-L191 PolarHBondContact O-N 2.88Å; G188-L191 PolarHBondContact O-N 2.98Å; K189-L191 PolarHBondContact O-N 3.33Å; L191-C193 VanDerWaalsContact C-N 3.3Å; L191-C193 PolarHBondContact O-N 3.27Å; L191-V194 WeakPolarHBondContact O-CB 3.44Å; L191-V194 PolarHBondContact O-N 2.62Å; L191-V194 VanDerWaalsContact O-N 3.11Å; L191-Y195 HydrophobicContact CD1-CD1 4.34Å; L191-Y195 HydrophobicContact CD1-CE1 3.65Å; L191-Y195 HydrophobicContact CD1-CE2 4.41Å; L191-Y195 HydrophobicContact CD2-CE2 4.16Å; L191-Y195 HydrophobicContact CG-CD2 4.49Å; L191-Y195 HydrophobicContact CG-CE1 4.09Å; L191-Y195 HydrophobicContact CG-CE2 3.97Å; L191-Y195 PolarHBondContact O-N 3.24Å
192L98.8Very high97.6Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-59.6-41175.8-178.462.3000111.5I161 A164 N165 L168 G188 K189 G190 V194 Y195 E196I161-L192 HydrophobicContact CB-CD1 4.49Å; I161-L192 HydrophobicContact CG2-CD1 4.03Å; A164-L192 HydrophobicContact CB-CD1 3.9Å; N165-L192 HydrophobicContact CB-CD1 4.5Å; N165-L192 HydrophobicContact CB-CD2 3.98Å; N165-L192 WeakPolarHBondContact OD1-CD2 3.47Å; L168-L192 HydrophobicContact CD2-CD2 3.77Å; G188-L192 WeakPolarHBondContact O-CB 3.48Å; G188-L192 PolarHBondContact O-N 2.89Å; K189-L192 HydrophobicContact CD-CD2 4.45Å; K189-L192 WeakPolarHBondContact O-CB 3.46Å; K189-L192 PolarHBondContact O-N 3.06Å; G190-L192 PolarHBondContact O-N 3.25Å; L192-V194 VanDerWaalsContact C-N 3.31Å; L192-V194 PolarHBondContact O-N 3.31Å; L192-Y195 WeakPolarHBondContact O-CB 3.25Å; L192-Y195 PolarHBondContact O-N 3.01Å; L192-E196 WeakPolarHBondContact O-CG 3.26Å; L192-E196 PolarHBondContact O-N 3.36Å
193C98.7Very high98Very high0 Ų017.2 Ų17.20%08%0.084CC..Hα-helixtrans-61.1-38174.6-70.60000112.4N20 L21 K189 G190 L191 G197N20-C193 PolarHBondContact ND2-O 3.2Å; L21-C193 HydrophobicContact CD1-CB 4.34Å; K189-C193 PolarHBondContact O-N 3.16Å; K189-C193 PolarHBondContact O-SG 3.14Å; G190-C193 WeakPolarHBondContact O-CB 3.49Å; G190-C193 PolarHBondContact O-N 3.16Å; L191-C193 VanDerWaalsContact C-N 3.3Å; L191-C193 PolarHBondContact O-N 3.27Å; C193-G197 PolarHBondContact O-N 3.15Å; C193-G197 VanDerWaalsContact O-N 3.14Å
194V98.8Very high98Very high0 Ų019.3 Ų19.30%011%0.11CC..Hα-helixtrans-63.3-45.9173.8178.10000110.6L21 M49 F91 G190 L191 L192 E196 G197 F198L21-V194 HydrophobicContact CB-CG2 4.05Å; L21-V194 HydrophobicContact CD2-CG2 3.84Å; L21-V194 HydrophobicContact CG-CG2 4.44Å; M49-V194 HydrophobicContact CE-CG1 4.11Å; M49-V194 HydrophobicContact SD-CG1 4.46Å; F91-V194 HydrophobicContact CE2-CG1 4.08Å; F91-V194 HydrophobicContact CZ-CG1 3.8Å; G190-V194 PolarHBondContact O-N 3.31Å; G190-V194 VanDerWaalsContact O-N 3.14Å; L191-V194 WeakPolarHBondContact O-CB 3.44Å; L191-V194 PolarHBondContact O-N 2.62Å; L191-V194 VanDerWaalsContact O-N 3.11Å; L192-V194 VanDerWaalsContact C-N 3.31Å; L192-V194 PolarHBondContact O-N 3.31Å; V194-E196 PolarHBondContact O-N 2.84Å; V194-G197 PolarHBondContact O-N 3.46Å; V194-F198 HydrophobicContact CG1-CD1 4.18Å; V194-F198 HydrophobicContact CG1-CE1 3.66Å; V194-F198 HydrophobicContact CG1-CE2 4.49Å; V194-F198 HydrophobicContact CG1-CZ 3.84Å; V194-F198 WeakPolarHBondContact O-CD1 3.35Å; V194-F198 PolarHBondContact O-N 3.39Å
195Y98.8Very high97.9Very high7 Ų722.9 Ų22.93%0.02713%0.126CC..Hα-helixtrans-61.7-42.5178.3-71.1-3.4000113F113 A139 M157 I160 A164 L191 L192 G197 F198 L199F113-Y195 HydrophobicContact CD1-CE1 4.23Å; F113-Y195 HydrophobicContact CE1-CD1 4.22Å; F113-Y195 AromaticContact CE1-CE1 3.52Å; F113-Y195 HydrophobicContact CE1-CE1 3.52Å; F113-Y195 AromaticContact CE1-CZ 3.79Å; F113-Y195 HydrophobicContact CZ-CE1 4.35Å; A139-Y195 HydrophobicContact CB-CE2 4.14Å; M157-Y195 HydrophobicContact CE-CD1 3.98Å; M157-Y195 HydrophobicContact CE-CD2 4.22Å; M157-Y195 HydrophobicContact CE-CG 3.6Å; I160-Y195 HydrophobicContact CG2-CD2 3.95Å; I160-Y195 HydrophobicContact CG2-CE2 4.1Å; A164-Y195 HydrophobicContact CB-CD2 4.31Å; L191-Y195 HydrophobicContact CD1-CD1 4.34Å; L191-Y195 HydrophobicContact CD1-CE1 3.65Å; L191-Y195 HydrophobicContact CD1-CE2 4.41Å; L191-Y195 HydrophobicContact CD2-CE2 4.16Å; L191-Y195 HydrophobicContact CG-CD2 4.49Å; L191-Y195 HydrophobicContact CG-CE1 4.09Å; L191-Y195 HydrophobicContact CG-CE2 3.97Å; L191-Y195 PolarHBondContact O-N 3.24Å; L192-Y195 WeakPolarHBondContact O-CB 3.25Å; L192-Y195 PolarHBondContact O-N 3.01Å; Y195-G197 VanDerWaalsContact C-N 3.3Å; Y195-G197 PolarHBondContact O-N 3.46Å; Y195-F198 WeakPolarHBondContact O-CB 3.33Å; Y195-F198 PolarHBondContact O-N 3.12Å; Y195-F198 VanDerWaalsContact O-N 3.16Å; Y195-L199 PolarHBondContact O-N 3.05Å
196E98.8Very high97.7Very high55 Ų5530.5 Ų30.526%0.25716%0.158SC..Hα-helixtrans-59.1-40.6173.8-73169.7172.400112N20 I161 L192 V194 L199 K200N20-E196 PolarHBondContact ND2-OE2 2.86Å; I161-E196 HydrophobicContact CD1-CG 4.45Å; I161-E196 HydrophobicContact CG2-CG 4.36Å; L192-E196 WeakPolarHBondContact O-CG 3.26Å; L192-E196 PolarHBondContact O-N 3.36Å; V194-E196 PolarHBondContact O-N 2.84Å; E196-L199 PolarHBondContact O-N 3.08Å; E196-K200 WeakPolarHBondContact O-CG 3.35Å; E196-K200 PolarHBondContact O-N 3.44Å; E196-K200 VanDerWaalsContact O-N 3.08Å
197G98.6Very high97.5Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-65.3-38.8174.400000112.7Q16 C193 V194 Y195 L199 K200 A201Q16-G197 VanDerWaalsContact CB-O 3.24Å; Q16-G197 WeakPolarHBondContact CB-O 3.25Å; C193-G197 PolarHBondContact O-N 3.15Å; C193-G197 VanDerWaalsContact O-N 3.14Å; V194-G197 PolarHBondContact O-N 3.46Å; Y195-G197 VanDerWaalsContact C-N 3.3Å; Y195-G197 PolarHBondContact O-N 3.46Å; G197-L199 VanDerWaalsContact C-N 3.33Å; G197-L199 PolarHBondContact O-N 3.08Å; G197-K200 PolarHBondContact O-N 2.92Å; G197-A201 PolarHBondContact O-N 3.28Å
198F98.6Very high96.9Very high0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-60.3-43.2174-74.611.6000111.7M13 M49 F91 M157 V194 Y195 A201 L202M13-F198 HydrophobicContact CB-CB 4.39Å; M13-F198 HydrophobicContact CB-CD1 3.95Å; M13-F198 HydrophobicContact CB-CE1 4.37Å; M13-F198 HydrophobicContact CB-CG 4.11Å; M13-F198 HydrophobicContact CE-CB 3.91Å; M13-F198 HydrophobicContact CE-CD2 3.74Å; M13-F198 HydrophobicContact CE-CE2 4.43Å; M13-F198 HydrophobicContact CE-CG 3.93Å; M13-F198 HydrophobicContact CG-CB 4.5Å; M13-F198 WeakPolarHBondContact O-CD1 3.31Å; M13-F198 VanDerWaalsContact O-CE1 3.29Å; M13-F198 WeakPolarHBondContact O-CE1 3.19Å; M49-F198 HydrophobicContact CE-CE1 4.31Å; F91-F198 AromaticContact CE1-CE2 3.64Å; F91-F198 HydrophobicContact CE1-CE2 3.64Å; F91-F198 AromaticContact CE1-CZ 3.68Å; F91-F198 HydrophobicContact CE1-CZ 3.68Å; F91-F198 AromaticContact CZ-CE2 3.85Å; F91-F198 HydrophobicContact CZ-CE2 3.85Å; F91-F198 AromaticContact CZ-CZ 3.64Å; F91-F198 HydrophobicContact CZ-CZ 3.64Å; M157-F198 HydrophobicContact CE-CB 4.4Å; M157-F198 HydrophobicContact SD-CB 4.47Å; V194-F198 HydrophobicContact CG1-CD1 4.18Å; V194-F198 HydrophobicContact CG1-CE1 3.66Å; V194-F198 HydrophobicContact CG1-CE2 4.49Å; V194-F198 HydrophobicContact CG1-CZ 3.84Å; V194-F198 WeakPolarHBondContact O-CD1 3.35Å; V194-F198 PolarHBondContact O-N 3.39Å; Y195-F198 WeakPolarHBondContact O-CB 3.33Å; Y195-F198 PolarHBondContact O-N 3.12Å; Y195-F198 VanDerWaalsContact O-N 3.16Å; F198-A201 PolarHBondContact O-N 3.44Å; F198-L202 WeakPolarHBondContact O-CG 3.46Å; F198-L202 PolarHBondContact O-N 3.28Å
199L98.6Very high96.2Very high22 Ų2241.2 Ų41.212%0.11522%0.218CC..Hα-helixtrans-63.1-42.5176.7178.263.8000112I154 M157 E158 I161 Y195 E196 G197 A201 L202 K203I154-L199 HydrophobicContact CG2-CD1 4.05Å; M157-L199 HydrophobicContact CB-CD1 4.02Å; M157-L199 HydrophobicContact CG-CB 3.95Å; M157-L199 HydrophobicContact CG-CD1 4.29Å; E158-L199 HydrophobicContact CG-CD1 3.7Å; E158-L199 HydrophobicContact CG-CD2 3.67Å; E158-L199 HydrophobicContact CG-CG 4.36Å; I161-L199 HydrophobicContact CD1-CB 3.53Å; I161-L199 HydrophobicContact CD1-CD2 3.56Å; I161-L199 HydrophobicContact CD1-CG 4.14Å; Y195-L199 PolarHBondContact O-N 3.05Å; E196-L199 PolarHBondContact O-N 3.08Å; G197-L199 VanDerWaalsContact C-N 3.33Å; G197-L199 PolarHBondContact O-N 3.08Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 2.66Å; L199-L202 PolarHBondContact O-N 3.45Å; L199-K203 HydrophobicContact CD1-CD 4.41Å; L199-K203 HydrophobicContact CD1-CG 4.43Å; L199-K203 HydrophobicContact CG-CD 4.3Å; L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3.33Å
200K98.2Very high95Very high64 Ų6445.7 Ų45.728%0.27824%0.237SC..Hα-helixtrans-58.3-45.6176.2-73174.2-178.4175.40111.2N20 E196 G197 L202 K203 G204 E205 V207N20-K200 PolarHBondContact OD1-NZ 3.08Å; E196-K200 WeakPolarHBondContact O-CG 3.35Å; E196-K200 PolarHBondContact O-N 3.44Å; E196-K200 VanDerWaalsContact O-N 3.08Å; G197-K200 PolarHBondContact O-N 2.92Å; K200-L202 PolarHBondContact O-N 2.87Å; K200-K203 CarbonylContact O-C 3.52Å; K200-K203 PolarHBondContact O-N 3.47Å; K200-K203 VanDerWaalsContact O-N 3.13Å; K200-G204 PolarHBondContact O-N 2.95Å; K200-G204 VanDerWaalsContact O-N 3.14Å; K200-E205 CarbonylContact C-O 3.5Å; K200-E205 HydrophobicContact CB-CB 4.08Å; K200-E205 WeakPolarHBondContact O-CB 3.48Å; K200-E205 PolarHBondContact O-N 2.82Å; K200-V207 HydrophobicContact CB-CG2 4.26Å; K200-V207 HydrophobicContact CD-CG2 3.38Å; K200-V207 HydrophobicContact CG-CG2 4.48Å
201A98Very high92.4Very high6 Ų649.1 Ų49.15%0.0526%0.258CS..Hα-helixtrans-60-44.1174.900000112.9D12 M13 Q16 G197 F198 L199 K203 G204D12-A201 HydrophobicContact CB-CB 4.32Å; M13-A201 VanDerWaalsContact CA-CB 3.43Å; M13-A201 HydrophobicContact CB-CB 4.21Å; M13-A201 HydrophobicContact CG-CB 3.83Å; Q16-A201 HydrophobicContact CB-CB 3.99Å; Q16-A201 HydrophobicContact CG-CB 3.71Å; G197-A201 PolarHBondContact O-N 3.28Å; F198-A201 PolarHBondContact O-N 3.44Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 2.66Å; A201-K203 PolarHBondContact O-N 3.23Å; A201-G204 WeakPolarHBondContact O-CA 3.31Å; A201-G204 PolarHBondContact O-N 2.96Å
202L98Very high89.9Confident5 Ų551.2 Ų51.23%0.02628%0.275CS..Hα-helixtrans-61.7-30.9176.9-72.3169000112.5I2 I5 L9 M13 C153 I154 M157 F198 L199 K200 G204I2-L202 HydrophobicContact CG2-CD2 4.26Å; I5-L202 HydrophobicContact CD1-CD2 3.95Å; I5-L202 HydrophobicContact CG1-CD2 4.05Å; L9-L202 HydrophobicContact CD2-CD2 3.93Å; L9-L202 HydrophobicContact CG-CD2 4.22Å; M13-L202 HydrophobicContact CE-CD1 4.24Å; M13-L202 HydrophobicContact CE-CG 4.38Å; M13-L202 HydrophobicContact CG-CD2 4.43Å; M13-L202 HydrophobicContact CG-CG 4.21Å; M13-L202 HydrophobicContact SD-CD2 3.82Å; M13-L202 HydrophobicContact SD-CG 4.04Å; C153-L202 HydrophobicContact CB-CD2 4.44Å; I154-L202 HydrophobicContact CG1-CB 4Å; M157-L202 HydrophobicContact CB-CD1 3.84Å; M157-L202 HydrophobicContact CG-CD1 4.06Å; F198-L202 WeakPolarHBondContact O-CG 3.46Å; F198-L202 PolarHBondContact O-N 3.28Å; L199-L202 PolarHBondContact O-N 3.45Å; K200-L202 PolarHBondContact O-N 2.87Å; L202-G204 VanDerWaalsContact C-N 3.29Å
203K97.5Very high86.9Confident88 Ų8860.7 Ų60.738%0.38332%0.316SS..THydrogen-bonded Turntrans-80.6-6.3173.1-69.7-179.2175.1179.80113.7I154 E158 L199 K200 A201 E205I154-K203 HydrophobicContact CG2-CG 4.25Å; E158-K203 WeakPolarHBondContact OE1-CE 3.42Å; E158-K203 IonicContact OE1-NZ 3.56Å; E158-K203 PolarHBondContact OE1-NZ 3.29Å; L199-K203 HydrophobicContact CD1-CD 4.41Å; L199-K203 HydrophobicContact CD1-CG 4.43Å; L199-K203 HydrophobicContact CG-CD 4.3Å; L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3.33Å; K200-K203 CarbonylContact O-C 3.52Å; K200-K203 PolarHBondContact O-N 3.47Å; K200-K203 VanDerWaalsContact O-N 3.13Å; A201-K203 PolarHBondContact O-N 3.23Å; K203-E205 VanDerWaalsContact C-N 3.28Å; K203-E205 HydrophobicContact CB-CG 4.01Å; K203-E205 WeakPolarHBondContact CD-OE1 3.24Å
204G94.6Very high83.8Confident69 Ų6962.7 Ų62.771%0.71133%0.326SS*.THydrogen-bonded Turntrans76.315.4-174.600000113.7K200 A201 L202K200-G204 PolarHBondContact O-N 2.95Å; K200-G204 VanDerWaalsContact O-N 3.14Å; A201-G204 WeakPolarHBondContact O-CA 3.31Å; A201-G204 PolarHBondContact O-N 2.96Å; L202-G204 VanDerWaalsContact C-N 3.29Å
205E94.8Very high81Confident96 Ų9666.6 Ų66.645%0.44935%0.348SS..  trans-86.4145.2176.7-61.6170.3-158.300110.1K200 K203K200-E205 CarbonylContact C-O 3.5Å; K200-E205 HydrophobicContact CB-CB 4.08Å; K200-E205 WeakPolarHBondContact O-CB 3.48Å; K200-E205 PolarHBondContact O-N 2.82Å; K203-E205 VanDerWaalsContact C-N 3.28Å; K203-E205 HydrophobicContact CB-CG 4.01Å; K203-E205 WeakPolarHBondContact CD-OE1 3.24Å
206K92.7Very high78.1Confident180 Ų18073.2 Ų73.278%0.78338%0.376SS*.  trans-101.8137171.8-67-172.8177.1-172.60109.9E208K206-E208 PolarHBondContact O-N 3.35Å
207V91.6Very high75.3Confident13 Ų1376.9 Ų76.98%0.07940%0.398CS..  trans-83.2104.4166.1-175.30000106.3Q16 Q19 N20 N23 K200Q16-V207 HydrophobicContact CB-CG2 4.05Å; Q19-V207 HydrophobicContact CB-CB 4.21Å; Q19-V207 HydrophobicContact CB-CG1 4.2Å; Q19-V207 HydrophobicContact CG-CB 4.09Å; Q19-V207 HydrophobicContact CG-CG1 3.83Å; Q19-V207 WeakPolarHBondContact CG-O 2.96Å; N20-V207 HydrophobicContact CB-CG1 4.11Å; N20-V207 HydrophobicContact CB-CG2 4.1Å; N23-V207 WeakPolarHBondContact ND2-CG1 3.27Å; K200-V207 HydrophobicContact CB-CG2 4.26Å; K200-V207 HydrophobicContact CD-CG2 3.38Å; K200-V207 HydrophobicContact CG-CG2 4.48Å
208E86.4Confident72.3Confident166 Ų16684.1 Ų84.178%0.77643%0.432SS*.  trans-68.2139.4169.9-64.3-179.5171.500109N23 K206 K210N23-E208 PolarHBondContact ND2-O 3.13Å; K206-E208 PolarHBondContact O-N 3.35Å; E208-K210 PolarHBondContact O-N 3.46Å
209A82.7Confident69.3Low57 Ų5787.3 Ų87.347%0.47145%0.445SS..  trans-57.4133169.800000108.5N23 V211N23-A209 WeakPolarHBondContact OD1-CA 3.27Å; A209-V211 PolarHBondContact O-N 3.39Å
210K72.6Confident66.1Low132 Ų13289.6 Ų89.657%0.57446%0.46SS*.  trans-59.4113.7171.7-81.6-177.3-174.1165.10106.9N23 N24 E208 A212N23-K210 HydrophobicContact CB-CD 4.1Å; N23-K210 HydrophobicContact CB-CG 4.03Å; N23-K210 WeakPolarHBondContact O-CD 3.24Å; N23-K210 VanDerWaalsContact O-CE 3.29Å; N23-K210 WeakPolarHBondContact O-CE 3.3Å; N23-K210 PolarHBondContact O-NZ 2.88Å; N23-K210 PolarHBondContact OD1-N 2.87Å; N24-K210 PolarHBondContact OD1-NZ 2.93Å; E208-K210 PolarHBondContact O-N 3.46Å; K210-A212 PolarHBondContact O-N 2.98Å
211V46Very low63Low72 Ų7294.7 Ų94.744%0.43649%0.485SS..PPolyproline II helixtrans-61.6120.7167.6-167.80000106A209 K213 I273A209-V211 PolarHBondContact O-N 3.39Å; V211-K213 PolarHBondContact O-N 3.3Å; V211-K213 VanDerWaalsContact O-N 3.11Å; V211-I273 HydrophobicContact CG1-CB 3.78Å; V211-I273 HydrophobicContact CG1-CD1 3.73Å; V211-I273 HydrophobicContact CG1-CG1 3.35Å; V211-I273 HydrophobicContact CG1-CG2 3.46Å; V211-I273 VanDerWaalsContact CG1-CG2 3.46Å
212A45.8Very low59.8Low44 Ų4499.9 Ų99.936%0.36451%0.512SS..PPolyproline II helixtrans-47.2125.1177.200000108.3K210 I214 F219 I273K210-A212 PolarHBondContact O-N 2.98Å; A212-I214 PolarHBondContact O-N 2.65Å; A212-F219 HydrophobicContact CB-CE2 4.13Å; A212-I273 HydrophobicContact CB-CD1 3.98Å
213K34.9Very low56.6Low199 Ų199107.6 Ų107.687%0.86555%0.548SS*.PPolyproline II helixtrans-55.3131.8169.8-81-178.9177.2175.50105.9V211 D215V211-K213 PolarHBondContact O-N 3.3Å; V211-K213 VanDerWaalsContact O-N 3.11Å; K213-D215 PolarHBondContact O-N 2.99Å
214I34.5Very low53.6Low41 Ų41107.6 Ų107.621%0.2155%0.549CS..  trans-63.490177-59.4169.9000107.4A212 I273 I278 K280A212-I214 PolarHBondContact O-N 2.65Å; I214-I273 HydrophobicContact CD1-CB 4.41Å; I214-I273 HydrophobicContact CD1-CG2 3.79Å; I214-I273 HydrophobicContact CG1-CB 4.12Å; I214-I273 HydrophobicContact CG1-CG2 3.37Å; I214-I278 HydrophobicContact CD1-CD1 4.19Å; I214-I278 HydrophobicContact CD1-CG1 4.23Å; I214-I278 HydrophobicContact CG2-CD1 3.96Å; I214-K280 HydrophobicContact CG1-CD 4.33Å; I214-K280 HydrophobicContact CG2-CD 3.75Å; I214-K280 VanDerWaalsContact CG2-CE 3.41Å
215D39.8Very low50.7Low83 Ų83109.5 Ų109.544%0.44454%0.543SS..  trans-71.2133.7154.8-152.1-39.9000106.7K213 D217 E218 K280K213-D215 PolarHBondContact O-N 2.99Å; D215-D217 PolarHBondContact O-N 3.38Å; D215-D217 PolarHBondContact OD1-N 3.15Å; D215-E218 HydrophobicContact CB-CB 4.23Å; D215-K280 PolarHBondContact O-NZ 3.26Å
216K37.2Very low48Very low146 Ų146107.4 Ų107.464%0.63553%0.532SS*.SBendtrans-69-22.1-178.4-74.2178.4179.11730110.7
217D40.1Very low45.4Very low131 Ų131105.5 Ų105.570%0.70153%0.526SS*.SBendtrans-109.9-27.2-170.3-63.8-35.1000114.9D215 F219D215-D217 PolarHBondContact O-N 3.38Å; D215-D217 PolarHBondContact OD1-N 3.15Å; D217-F219 PolarHBondContact O-N 2.92Å
218E36.7Very low42.7Very low153 Ų153106.7 Ų106.772%0.71554%0.541SS*.  trans-99.969.7-171.5-73.1-174.4160.100115.6D215D215-E218 HydrophobicContact CB-CB 4.23Å
219F33.8Very low40.4Very low66 Ų66106.1 Ų106.129%0.28955%0.549SS..SBendtrans-134.533.2158.6-119.6-86.7000111.5A212 D217 L271A212-F219 HydrophobicContact CB-CE2 4.13Å; D217-F219 PolarHBondContact O-N 2.92Å; F219-L271 HydrophobicContact CZ-CD2 4.1Å
220V33.4Very low38.6Very low71 Ų71106.9 Ų106.943%0.4354%0.544SS..SBendtrans-113.3-4.8-171.5-170.10000113.7K303V220-K303 VanDerWaalsContact CG2-NZ 3.29Å
221H31.1Very low37.6Very low170 Ų170105.6 Ų105.679%0.78754%0.543SS*.  trans-122.212.1-170.6-73.9-62.5000117.9E223H221-E223 PolarHBondContact O-N 3Å
222D32.3Very low38Very low116 Ų116103.5 Ų103.562%0.6253%0.531SS*.  trans-80.680.1162.5-70.2-16.4000108.7H224D222-H224 PolarHBondContact O-N 3.47Å
223E29.4Very low38.5Very low167 Ų167110.3 Ų110.378%0.7856%0.555SS**  trans-62.498.7151.2-73.9-175.517100105.8H221 D225H221-E223 PolarHBondContact O-N 3Å; E223-D225 PolarHBondContact O-N 3.4Å
224H35.2Very low39.7Very low87 Ų87105.6 Ų105.640%0.40354%0.539SS..  trans-63.989.3166-69.2-50.3000107.5D222 F226D222-H224 PolarHBondContact O-N 3.47Å; H224-F226 VanDerWaalsContact C-N 3.31Å; H224-F226 HydrophobicContact CB-CD2 4.15Å; H224-F226 HydrophobicContact CB-CE2 3.75Å; H224-F226 HydrophobicContact CB-CZ 4.23Å; H224-F226 VanDerWaalsContact O-CD2 3.24Å; H224-F226 WeakPolarHBondContact O-CD2 3.38Å; H224-F226 PolarHBondContact O-N 3.36Å
225D34.6Very low41.4Very low110 Ų110104.7 Ų104.759%0.58853%0.534SS*.  trans-67.796.3167.1-104.6-14.6000107.5E223 H227E223-D225 PolarHBondContact O-N 3.4Å; D225-H227 PolarHBondContact O-N 2.94Å
226F38.4Very low43.1Very low52 Ų52107 Ų10723%0.22855%0.546CS..  trans-71.467.2171.7-71.5-85.2000109.9H224 G228 I230 M309H224-F226 VanDerWaalsContact C-N 3.31Å; H224-F226 HydrophobicContact CB-CD2 4.15Å; H224-F226 HydrophobicContact CB-CE2 3.75Å; H224-F226 HydrophobicContact CB-CZ 4.23Å; H224-F226 VanDerWaalsContact O-CD2 3.24Å; H224-F226 WeakPolarHBondContact O-CD2 3.38Å; H224-F226 PolarHBondContact O-N 3.36Å; F226-G228 PolarHBondContact O-N 3.48Å; F226-G228 VanDerWaalsContact O-N 3.15Å; F226-I230 HydrophobicContact CD1-CD1 4.36Å; F226-M309 HydrophobicContact CZ-SD 4.21Å
227H36.7Very low45.3Very low139 Ų139103.4 Ų103.464%0.64453%0.529SS*.  trans-83.969.2162.6-78.3-61.6000109.1D225D225-H227 PolarHBondContact O-N 2.94Å
228G36.2Very low47.4Very low39 Ų3997.2 Ų97.240%0.40250%0.495SS..SBendtrans-156.5143.2-179.900000111.1F226 I230F226-G228 PolarHBondContact O-N 3.48Å; F226-G228 VanDerWaalsContact O-N 3.15Å; G228-I230 PolarHBondContact O-N 3.18Å
229V37.4Very low49.9Very low154 Ų15493.2 Ų93.293%0.93347%0.474SS*.  trans-70.169.3-177.8-170.80000110.3
230I44Very low52.4Low73 Ų7390.4 Ų90.437%0.37446%0.463SS..  trans-105.8122.7168.4-59.9178.2000105.5F226 G228 D234 I235 H313F226-I230 HydrophobicContact CD1-CD1 4.36Å; G228-I230 PolarHBondContact O-N 3.18Å; I230-D234 HydrophobicContact CG2-CB 4.16Å; I230-I235 HydrophobicContact CG2-CG1 4.16Å; I230-H313 PolarHBondContact O-CE1 3.16Å; I230-H313 PolarHBondContact O-NE2 3.49Å; I230-H313 VanDerWaalsContact O-NE2 3.13Å
231N51.7Low55.1Low105 Ų10587 Ų8756%0.56144%0.442SS*.  trans-68.3141.2170.9-66.4-59000108E233 D234N231-E233 PolarHBondContact O-N 3.32Å; N231-D234 WeakPolarHBondContact CB-OD2 3.36Å; N231-D234 PolarHBondContact N-OD2 3.4Å; N231-D234 PolarHBondContact ND2-OD2 2.66Å; N231-D234 WeakPolarHBondContact O-CB 3.33Å; N231-D234 PolarHBondContact O-N 3.15Å
232T54.7Low57.8Low28 Ų2880.2 Ų80.217%0.17241%0.411CS..G310 helixtrans-52.9-24.6175.1-43.40000112.6R310 H313 I317T232-R310 HydrophobicContact CG2-CB 3.85Å; T232-R310 HydrophobicContact CG2-CG 4.13Å; T232-H313 PolarHBondContact OG1-ND1 2.95Å; T232-I317 WeakPolarHBondContact OG1-CD1 3.31Å
233E55.5Low60.6Low187 Ų18775 Ų7587%0.87438%0.382SS*.G310 helixtrans-73.2-24.4176.6-60.3-173.6176.600113.9N231 I235N231-E233 PolarHBondContact O-N 3.32Å; E233-I235 VanDerWaalsContact C-N 3.27Å; E233-I235 PolarHBondContact O-N 2.82Å
234D60.3Low63.5Low100 Ų10068.2 Ų68.254%0.53535%0.351SS..G310 helixtrans-80.8-10.4179.6-60.8-38.8000112I230 N231 I236I230-D234 HydrophobicContact CG2-CB 4.16Å; N231-D234 WeakPolarHBondContact CB-OD2 3.36Å; N231-D234 PolarHBondContact N-OD2 3.4Å; N231-D234 PolarHBondContact ND2-OD2 2.66Å; N231-D234 WeakPolarHBondContact O-CB 3.33Å; N231-D234 PolarHBondContact O-N 3.15Å; D234-I236 PolarHBondContact O-N 3.14Å
235I71.1Confident66.2Low21 Ų2164 Ų6411%0.10833%0.332CS..  trans-75.288.3174.5-54177.2000109.2I230 E233 Y237 M309 R310 H313I230-I235 HydrophobicContact CG2-CG1 4.16Å; E233-I235 VanDerWaalsContact C-N 3.27Å; E233-I235 PolarHBondContact O-N 2.82Å; I235-Y237 VanDerWaalsContact CG2-O 3.27Å; I235-Y237 WeakPolarHBondContact CG2-O 3.4Å; I235-M309 HydrophobicContact CG2-CE 4.14Å; I235-R310 HydrophobicContact CB-CG 4.32Å; I235-R310 HydrophobicContact CD1-CG 4.34Å; I235-R310 HydrophobicContact CG2-CG 4.27Å; I235-R310 PolarHBondContact O-NE 3.33Å; I235-R310 PolarHBondContact O-NH2 3.16Å; I235-H313 HydrophobicContact CD1-CB 4.27Å
236I74.6Confident68.9Low132 Ų13264 Ų6468%0.67732%0.324SS*.SBendtrans-60.5-44.7-179.6-59.5175.9000111.2D234 R310D234-I236 PolarHBondContact O-N 3.14Å; I236-R310 PolarHBondContact O-NH2 3.5Å
237Y84Confident71.6Confident71 Ų7164 Ų6428%0.27832%0.323SS..SBendtrans-106.5104.8175.6-62.6-66.6000110.3I235 Y239 D268 E286 M309I235-Y237 VanDerWaalsContact CG2-O 3.27Å; I235-Y237 WeakPolarHBondContact CG2-O 3.4Å; Y237-Y239 VanDerWaalsContact C-N 3.34Å; Y237-Y239 PolarHBondContact O-N 2.75Å; Y237-D268 HydrophobicContact CD2-CB 4.05Å; Y237-D268 VanDerWaalsContact CD2-OD2 3.25Å; Y237-D268 WeakPolarHBondContact CD2-OD2 3.44Å; Y237-D268 HydrophobicContact CE2-CB 3.76Å; Y237-D268 WeakPolarHBondContact CE2-OD2 3.4Å; Y237-E286 HydrophobicContact CD1-CB 4.46Å; Y237-M309 WeakPolarHBondContact O-CE 3.45Å
238G84.2Confident74Confident0 Ų058.9 Ų58.90%031%0.308CS..  trans-75.3-15.5-169.300000116.1E286 M309G238-E286 PolarHBondContact N-OE2 2.89Å; G238-M309 PolarHBondContact O-N 3.42Å
239Y88.9Confident76.3Confident70 Ų7067.2 Ų67.228%0.27533%0.334SS..EExtended strand (participates in β ladder)trans-119.2121.4-173.6-58.6-82.3000112.5Y237 T241 H284 T285 P288 V306 E307 N308Y237-Y239 VanDerWaalsContact C-N 3.34Å; Y237-Y239 PolarHBondContact O-N 2.75Å; Y239-T241 PolarHBondContact O-N 3.32Å; Y239-H284 WeakPolarHBondContact O-CA 3.48Å; Y239-T285 VanDerWaalsContact CB-O 3.3Å; Y239-T285 WeakPolarHBondContact CB-O 3.43Å; Y239-T285 PolarHBondContact N-O 2.99Å; Y239-T285 VanDerWaalsContact N-O 3.12Å; Y239-T285 PolarHBondContact O-N 2.82Å; Y239-P288 HydrophobicContact CD1-CG 4.43Å; Y239-P288 HydrophobicContact CD2-CG 4Å; Y239-P288 HydrophobicContact CG-CG 3.77Å; Y239-V306 HydrophobicContact CD1-CG1 3.72Å; Y239-V306 HydrophobicContact CG-CG1 4.13Å; Y239-E307 CarbonylContact C-O 3.4Å; Y239-E307 VanDerWaalsContact CA-O 3.27Å; Y239-E307 WeakPolarHBondContact CA-O 3.27Å; Y239-N308 HydrophobicContact CD1-CB 4.05Å; Y239-N308 HydrophobicContact CE1-CB 3.89Å
240C87Confident78.6Confident7 Ų767.8 Ų67.85%0.04733%0.332CS..EExtended strand (participates in β ladder)trans-74.4113.1162.4178.70000108.1H282 V306 E307 M309C240-H282 PolarHBondContact SG-CE1 3.43Å; C240-H282 PolarHBondContact SG-NE2 2.88Å; C240-H282 VanDerWaalsContact SG-NE2 3.36Å; C240-V306 WeakPolarHBondContact O-CA 3.22Å; C240-E307 HydrophobicContact CB-CB 4.28Å; C240-E307 PolarHBondContact N-O 3.45Å; C240-E307 PolarHBondContact O-N 3.28Å; C240-M309 HydrophobicContact CB-CG 3.89Å; C240-M309 HydrophobicContact CB-SD 3.86Å
241T90.2Very high80.7Confident0 Ų069.2 Ų69.20%034%0.335CS..EExtended strand (participates in β ladder)trans-116118.1-173.7-59.40000109.8Y239 V283 T285 P288 V291 F292 V306Y239-T241 PolarHBondContact O-N 3.32Å; T241-V283 WeakPolarHBondContact CB-O 3.34Å; T241-V283 PolarHBondContact N-O 3.48Å; T241-V283 PolarHBondContact O-N 3.2Å; T241-T285 HydrophobicContact CG2-CG2 4.38Å; T241-T285 VanDerWaalsContact OG1-CG2 3.24Å; T241-T285 WeakPolarHBondContact OG1-CG2 3.3Å; T241-P288 HydrophobicContact CG2-CB 3.87Å; T241-P288 WeakPolarHBondContact OG1-CB 3.45Å; T241-P288 WeakPolarHBondContact OG1-CG 3.33Å; T241-V291 HydrophobicContact CG2-CB 4.19Å; T241-V291 HydrophobicContact CG2-CG1 4.09Å; T241-F292 HydrophobicContact CG2-CD1 4.11Å; T241-F292 HydrophobicContact CG2-CE1 3.3Å; T241-F292 HydrophobicContact CG2-CE2 4.49Å; T241-F292 HydrophobicContact CG2-CZ 3.56Å; T241-V306 HydrophobicContact CG2-CG2 4.46Å
242E88Confident82.6Confident27 Ų2767.5 Ų67.513%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-115.4138.8174.7-56.1168.1-141.400110.7V281 H282 K305E242-V281 CarbonylContact C-O 3.33Å; E242-V281 WeakPolarHBondContact CA-O 3.29Å; E242-H282 HydrophobicContact CG-CB 4.43Å; E242-K305 HydrophobicContact CB-CB 4.2Å; E242-K305 PolarHBondContact N-O 2.87Å; E242-K305 PolarHBondContact O-N 3.49Å; E242-K305 WeakPolarHBondContact OE1-CD 3.49Å; E242-K305 IonicContact OE1-NZ 3.19Å; E242-K305 PolarHBondContact OE1-NZ 3.43Å
243M91Very high84.2Confident5 Ų570.2 Ų70.23%0.02535%0.347CS..EExtended strand (participates in β ladder)trans-140.1149.3169.765.2170.8-177.300112.6V245 F259 M263 K280 V281 V291 F292 L301 K303 L304M243-V245 HydrophobicContact CE-CG2 4.33Å; M243-V245 HydrophobicContact CG-CG2 4.37Å; M243-V245 HydrophobicContact SD-CG2 3.92Å; M243-F259 HydrophobicContact CE-CZ 3.86Å; M243-M263 HydrophobicContact CE-CE 3.36Å; M243-M263 HydrophobicContact CE-SD 4.49Å; M243-K280 CarbonylContact O-C 3.59Å; M243-K280 VanDerWaalsContact O-CA 3.31Å; M243-K280 WeakPolarHBondContact O-CA 3.29Å; M243-V281 HydrophobicContact CE-CB 4.01Å; M243-V281 HydrophobicContact CE-CG1 4.43Å; M243-V281 HydrophobicContact CE-CG2 3.63Å; M243-V281 HydrophobicContact CG-CB 3.91Å; M243-V281 HydrophobicContact CG-CG2 4.21Å; M243-V281 PolarHBondContact N-O 3.46Å; M243-V281 PolarHBondContact O-N 3.18Å; M243-V291 HydrophobicContact CE-CG1 3.97Å; M243-V291 HydrophobicContact CG-CG1 4.44Å; M243-V291 HydrophobicContact SD-CG1 4.09Å; M243-F292 HydrophobicContact CB-CD1 3.91Å; M243-F292 HydrophobicContact CB-CE1 3.9Å; M243-F292 HydrophobicContact CG-CD1 4.41Å; M243-F292 HydrophobicContact SD-CD1 4.13Å; M243-L301 HydrophobicContact SD-CD2 4.24Å; M243-K303 CarbonylContact C-O 3.14Å; M243-K303 WeakPolarHBondContact CA-O 3.45Å; M243-L304 HydrophobicContact CB-CD2 3.68Å
244M89.8Confident85.9Confident25 Ų2563.5 Ų63.512%0.12332%0.315CS..EExtended strand (participates in β ladder)trans-120.8128.3168-173.9168.768.100109.6I278 V279 K280 L301 I302 K303M244-I278 HydrophobicContact CG-CD1 4.35Å; M244-I278 HydrophobicContact SD-CD1 3.87Å; M244-V279 CarbonylContact C-O 3.45Å; M244-V279 VanDerWaalsContact CA-O 3.31Å; M244-V279 WeakPolarHBondContact CA-O 3.48Å; M244-K280 HydrophobicContact CB-CG 4.07Å; M244-K280 HydrophobicContact CG-CG 3.75Å; M244-K280 HydrophobicContact SD-CD 4.2Å; M244-K280 WeakPolarHBondContact SD-CE 3.49Å; M244-K280 HydrophobicContact SD-CG 3.91Å; M244-L301 CarbonylContact O-C 3.49Å; M244-I302 HydrophobicContact CB-CB 4.48Å; M244-I302 HydrophobicContact CE-CB 3.66Å; M244-I302 HydrophobicContact CE-CD1 3.91Å; M244-I302 HydrophobicContact CE-CG1 4.39Å; M244-I302 HydrophobicContact CE-CG2 3.52Å; M244-I302 HydrophobicContact CG-CB 4.35Å; M244-I302 HydrophobicContact CG-CD1 4.01Å; M244-I302 HydrophobicContact CG-CG1 4.5Å; M244-I302 PolarHBondContact O-N 3.02Å; M244-I302 HydrophobicContact SD-CD1 4.37Å; M244-K303 HydrophobicContact CB-CB 4.12Å; M244-K303 HydrophobicContact CE-CB 4.2Å; M244-K303 PolarHBondContact N-O 3.18Å; M244-K303 PolarHBondContact O-N 2.89Å
245V92.2Very high87.4Confident0 Ų062.6 Ų62.60%031%0.311CS..EExtended strand (participates in β ladder)trans-122.5129.1-176.4-171.60000110M243 I278 V279 G295 E300 L301M243-V245 HydrophobicContact CE-CG2 4.33Å; M243-V245 HydrophobicContact CG-CG2 4.37Å; M243-V245 HydrophobicContact SD-CG2 3.92Å; V245-I278 CarbonylContact O-C 3.46Å; V245-I278 WeakPolarHBondContact O-CA 3.2Å; V245-I278 WeakPolarHBondContact O-CB 3.4Å; V245-V279 HydrophobicContact CB-CG1 3.75Å; V245-V279 HydrophobicContact CG2-CG1 4.17Å; V245-V279 PolarHBondContact N-O 3.26Å; V245-V279 PolarHBondContact O-N 3.14Å; V245-G295 WeakPolarHBondContact CG1-O 3.3Å; V245-E300 CarbonylContact C-O 3.57Å; V245-E300 VanDerWaalsContact CA-O 3.27Å; V245-E300 WeakPolarHBondContact CA-O 3.31Å; V245-L301 HydrophobicContact CG2-CD2 3.68Å
246R91.5Very high88Confident110 Ų11065.2 Ų65.242%0.41532%0.323SS..EExtended strand (participates in β ladder)trans-88.3122.4169.1-168.8-178.6-65.1-85.6-0.5110.7G248 E277 I278 G299 E300 I302R246-G248 PolarHBondContact O-N 3.17Å; R246-E277 CarbonylContact C-O 3.56Å; R246-E277 IonicContact NH1-OE2 2.75Å; R246-I278 HydrophobicContact CB-CG2 4.33Å; R246-I278 HydrophobicContact CG-CG2 4.33Å; R246-G299 CarbonylContact O-C 3.57Å; R246-G299 WeakPolarHBondContact O-CA 3.44Å; R246-E300 HydrophobicContact CB-CB 4.42Å; R246-E300 PolarHBondContact N-O 3.03Å; R246-E300 PolarHBondContact O-N 2.83Å; R246-I302 HydrophobicContact CB-CD1 3.64Å; R246-I302 HydrophobicContact CB-CG1 3.84Å; R246-I302 HydrophobicContact CG-CD1 4.49Å
247F94Very high88.4Confident50 Ų5066.3 Ų66.322%0.21933%0.325CS..EExtended strand (participates in β ladder)trans-61131.5-179.4-58.4-41.4000112.4F254 N274 D275 E277 V279F247-F254 HydrophobicContact CD1-CB 3.98Å; F247-F254 HydrophobicContact CD1-CD2 4.33Å; F247-F254 HydrophobicContact CD1-CG 4.28Å; F247-F254 HydrophobicContact CE1-CB 3.54Å; F247-F254 HydrophobicContact CE1-CD1 4.1Å; F247-F254 AromaticContact CE1-CD2 3.29Å; F247-F254 HydrophobicContact CE1-CD2 3.29Å; F247-F254 AromaticContact CE1-CE2 3.95Å; F247-F254 HydrophobicContact CE1-CE2 3.95Å; F247-F254 AromaticContact CE1-CG 3.36Å; F247-F254 HydrophobicContact CE1-CG 3.36Å; F247-F254 HydrophobicContact CE2-CB 4.25Å; F247-F254 HydrophobicContact CE2-CD1 4.26Å; F247-F254 HydrophobicContact CE2-CG 4.2Å; F247-F254 HydrophobicContact CZ-CB 3.69Å; F247-F254 AromaticContact CZ-CD1 3.55Å; F247-F254 HydrophobicContact CZ-CD1 3.55Å; F247-F254 AromaticContact CZ-CD2 3.59Å; F247-F254 HydrophobicContact CZ-CD2 3.59Å; F247-F254 HydrophobicContact CZ-CE1 4.03Å; F247-F254 HydrophobicContact CZ-CE2 4.03Å; F247-F254 AromaticContact CZ-CG 3.3Å; F247-F254 HydrophobicContact CZ-CG 3.3Å; F247-F254 HydrophobicContact CZ-CZ 4.24Å; F247-N274 HydrophobicContact CZ-CB 4.25Å; F247-D275 WeakPolarHBondContact CE2-O 3.36Å; F247-E277 PolarHBondContact N-O 2.94Å; F247-V279 HydrophobicContact CE1-CB 3.84Å; F247-V279 HydrophobicContact CE1-CG1 3.53Å; F247-V279 HydrophobicContact CZ-CB 3.75Å; F247-V279 HydrophobicContact CZ-CG1 3.99Å
248G87.8Confident88.6Confident32 Ų3266.8 Ų66.833%0.3333%0.329SS..PPolyproline II helixtrans-101.3138.7-179.700000112.5R246 N250 K251 Y298R246-G248 PolarHBondContact O-N 3.17Å; G248-N250 PolarHBondContact O-N 3.41Å; G248-K251 WeakPolarHBondContact O-CB 3.49Å; G248-K251 PolarHBondContact O-N 3.11Å; G248-Y298 PolarHBondContact N-O 3.17Å
249K83.7Confident89Confident215 Ų21566.8 Ų66.894%0.93533%0.329SS*.THydrogen-bonded Turntrans-62.9-23.4178.7-66.6-176.6178.4-179.90114.7
250N85.6Confident88.8Confident166 Ų16667 Ų6789%0.88833%0.33SS*.THydrogen-bonded Turntrans-111.328.7-179.9-64.7-17.2000112.3G248G248-N250 PolarHBondContact O-N 3.41Å
251K90.1Very high88.9Confident103 Ų10372.7 Ų72.745%0.44836%0.356SS..SBendtrans-120.2175.2-175.2-70.2-71-169.4156.30110.7G248 A253 Q296 Q297 Y298G248-K251 WeakPolarHBondContact O-CB 3.49Å; G248-K251 PolarHBondContact O-N 3.11Å; K251-A253 PolarHBondContact O-N 3.41Å; K251-Q296 PolarHBondContact NZ-O 2.92Å; K251-Q297 WeakPolarHBondContact CB-O 3.23Å; K251-Y298 VanDerWaalsContact CB-C 3.5Å; K251-Y298 VanDerWaalsContact CB-O 3.24Å; K251-Y298 WeakPolarHBondContact CB-O 3.44Å
252K90.1Very high88.9Confident69 Ų6974.8 Ų74.830%0.337%0.367SS..PPolyproline II helixtrans-57.3132.7175-171.6179.5174.5-166.60108.5E258 D262 Q297 Y298K252-E258 WeakPolarHBondContact CE-OE1 3.47Å; K252-E258 IonicContact NZ-OE1 3.92Å; K252-E258 PolarHBondContact NZ-OE1 3.14Å; K252-D262 IonicContact NZ-OD2 2.97Å; K252-Q297 WeakPolarHBondContact CB-O 3.42Å; K252-Q297 PolarHBondContact N-O 3.1Å; K252-Y298 HydrophobicContact CB-CD1 4.17Å; K252-Y298 HydrophobicContact CB-CE1 4.2Å; K252-Y298 HydrophobicContact CD-CE1 3.89Å; K252-Y298 HydrophobicContact CD-CE2 4.21Å; K252-Y298 WeakPolarHBondContact CE-OH 3.23Å; K252-Y298 HydrophobicContact CG-CD1 4.38Å; K252-Y298 HydrophobicContact CG-CE1 3.91Å; K252-Y298 PolarHBondContact NZ-OH 3.41Å; K252-Y298 WeakPolarHBondContact O-CD1 3.38Å
253A89.4Confident89Confident84 Ų8473.5 Ų73.569%0.69436%0.361SS*.PPolyproline II helixtrans-64.5135.517600000109.5K251 Y298K251-A253 PolarHBondContact O-N 3.41Å; A253-Y298 VanDerWaalsContact O-CE1 3.27Å; A253-Y298 WeakPolarHBondContact O-CE1 3.2Å
254F91Very high88.7Confident46 Ų4676.5 Ų76.520%0.20238%0.382CS..PPolyproline II helixtrans-82.4124.3179.9-173.2-91.8000110.8F247 E256 F259 V272 N274 V279 Y298F247-F254 HydrophobicContact CD1-CB 3.98Å; F247-F254 HydrophobicContact CD1-CD2 4.33Å; F247-F254 HydrophobicContact CD1-CG 4.28Å; F247-F254 HydrophobicContact CE1-CB 3.54Å; F247-F254 HydrophobicContact CE1-CD1 4.1Å; F247-F254 AromaticContact CE1-CD2 3.29Å; F247-F254 HydrophobicContact CE1-CD2 3.29Å; F247-F254 AromaticContact CE1-CE2 3.95Å; F247-F254 HydrophobicContact CE1-CE2 3.95Å; F247-F254 AromaticContact CE1-CG 3.36Å; F247-F254 HydrophobicContact CE1-CG 3.36Å; F247-F254 HydrophobicContact CE2-CB 4.25Å; F247-F254 HydrophobicContact CE2-CD1 4.26Å; F247-F254 HydrophobicContact CE2-CG 4.2Å; F247-F254 HydrophobicContact CZ-CB 3.69Å; F247-F254 AromaticContact CZ-CD1 3.55Å; F247-F254 HydrophobicContact CZ-CD1 3.55Å; F247-F254 AromaticContact CZ-CD2 3.59Å; F247-F254 HydrophobicContact CZ-CD2 3.59Å; F247-F254 HydrophobicContact CZ-CE1 4.03Å; F247-F254 HydrophobicContact CZ-CE2 4.03Å; F247-F254 AromaticContact CZ-CG 3.3Å; F247-F254 HydrophobicContact CZ-CG 3.3Å; F247-F254 HydrophobicContact CZ-CZ 4.24Å; F254-E256 HydrophobicContact CE1-CB 3.96Å; F254-E256 HydrophobicContact CE1-CG 4.49Å; F254-E256 HydrophobicContact CZ-CB 4.5Å; F254-F259 HydrophobicContact CD2-CB 4.42Å; F254-F259 AromaticContact CD2-CD2 3.88Å; F254-F259 HydrophobicContact CD2-CD2 3.88Å; F254-F259 HydrophobicContact CD2-CE2 4.35Å; F254-F259 HydrophobicContact CD2-CG 4.22Å; F254-F259 HydrophobicContact CE2-CB 3.78Å; F254-F259 AromaticContact CE2-CD1 3.88Å; F254-F259 HydrophobicContact CE2-CD1 3.88Å; F254-F259 AromaticContact CE2-CD2 3.41Å; F254-F259 HydrophobicContact CE2-CD2 3.41Å; F254-F259 VanDerWaalsContact CE2-CD2 3.41Å; F254-F259 HydrophobicContact CE2-CE1 4.25Å; F254-F259 AromaticContact CE2-CE2 3.84Å; F254-F259 HydrophobicContact CE2-CE2 3.84Å; F254-F259 AromaticContact CE2-CG 3.41Å; F254-F259 HydrophobicContact CE2-CG 3.41Å; F254-F259 VanDerWaalsContact CE2-CG 3.41Å; F254-F259 HydrophobicContact CE2-CZ 4.22Å; F254-F259 HydrophobicContact CZ-CB 4.06Å; F254-F259 HydrophobicContact CZ-CD1 4.19Å; F254-F259 HydrophobicContact CZ-CD2 4.4Å; F254-F259 AromaticContact CZ-CG 3.98Å; F254-F259 HydrophobicContact CZ-CG 3.98Å; F254-V272 HydrophobicContact CZ-CG1 4.32Å; F254-N274 HydrophobicContact CE1-CB 3.78Å; F254-N274 WeakPolarHBondContact CE1-ND2 3.4Å; F254-N274 HydrophobicContact CZ-CB 3.97Å; F254-V279 HydrophobicContact CD2-CG1 4.32Å; F254-V279 HydrophobicContact CE2-CB 3.81Å; F254-V279 HydrophobicContact CE2-CG1 3.86Å; F254-V279 HydrophobicContact CE2-CG2 3.75Å; F254-V279 HydrophobicContact CZ-CB 3.99Å; F254-V279 HydrophobicContact CZ-CG2 3.72Å; F254-Y298 HydrophobicContact CB-CD1 3.9Å; F254-Y298 HydrophobicContact CB-CE1 4.32Å; F254-Y298 AromaticContact CD2-CD1 3.77Å; F254-Y298 HydrophobicContact CD2-CD1 3.77Å; F254-Y298 HydrophobicContact CD2-CE1 4.05Å; F254-Y298 HydrophobicContact CD2-CG 4.22Å; F254-Y298 HydrophobicContact CG-CD1 4.31Å
255D90.4Very high88.6Confident81 Ų8182.1 Ų82.143%0.43341%0.408SS..  trans-125.2122.1167178.7-88.7000107Q257 E258 F259D255-Q257 VanDerWaalsContact C-N 3.3Å; D255-Q257 PolarHBondContact O-N 2.92Å; D255-Q257 PolarHBondContact OD1-N 3.11Å; D255-Q257 VanDerWaalsContact OD1-N 3.13Å; D255-E258 HydrophobicContact CB-CB 4.09Å; D255-E258 PolarHBondContact OD1-N 3.49Å; D255-F259 WeakPolarHBondContact O-CB 3.43Å; D255-F259 PolarHBondContact O-N 3.26Å
256E84.4Confident88.5Confident77 Ų7784.3 Ų84.336%0.3642%0.418SS..Hα-helixtrans-63.5-37.7-172.5-171.3-173.1159.600111.9F254 F259 R260 N274F254-E256 HydrophobicContact CE1-CB 3.96Å; F254-E256 HydrophobicContact CE1-CG 4.49Å; F254-E256 HydrophobicContact CZ-CB 4.5Å; E256-F259 PolarHBondContact O-N 2.83Å; E256-R260 HydrophobicContact CG-CG 4.42Å; E256-R260 WeakPolarHBondContact O-CB 3.36Å; E256-R260 VanDerWaalsContact O-CG 3.27Å; E256-R260 WeakPolarHBondContact O-CG 3.44Å; E256-R260 PolarHBondContact O-N 2.77Å; E256-R260 IonicContact OE1-CZ 2.75Å; E256-R260 IonicContact OE1-NE 3.6Å; E256-R260 PolarHBondContact OE1-NE 3.04Å; E256-R260 IonicContact OE1-NH2 3.83Å; E256-R260 PolarHBondContact OE1-NH2 2.89Å; E256-N274 WeakPolarHBondContact CG-OD1 3.36Å; E256-N274 PolarHBondContact OE2-OD1 3.19Å
257Q83.7Confident88.2Confident154 Ų15479.4 Ų79.472%0.7240%0.401SS*.Hα-helixtrans-71-47-176.8-169.1176.58.200111.1D255 F259 R260 Q261D255-Q257 VanDerWaalsContact C-N 3.3Å; D255-Q257 PolarHBondContact O-N 2.92Å; D255-Q257 PolarHBondContact OD1-N 3.11Å; D255-Q257 VanDerWaalsContact OD1-N 3.13Å; Q257-F259 VanDerWaalsContact C-N 3.32Å; Q257-R260 PolarHBondContact O-N 3.28Å; Q257-Q261 WeakPolarHBondContact O-CB 3.49Å; Q257-Q261 PolarHBondContact O-N 3.34Å
258E87.6Confident87.4Confident81 Ų8180.4 Ų80.438%0.37941%0.409SS..Hα-helixtrans-60.1-44.6173-171.3-171.7159.800110.6K252 D255 Q261 D262K252-E258 WeakPolarHBondContact CE-OE1 3.47Å; K252-E258 IonicContact NZ-OE1 3.92Å; K252-E258 PolarHBondContact NZ-OE1 3.14Å; D255-E258 HydrophobicContact CB-CB 4.09Å; D255-E258 PolarHBondContact OD1-N 3.49Å; E258-Q261 PolarHBondContact O-N 3.25Å; E258-D262 WeakPolarHBondContact O-CB 3.33Å; E258-D262 PolarHBondContact O-N 2.91Å
259F92.2Very high86.9Confident0 Ų082.4 Ų82.40%042%0.418CS..Hα-helixtrans-62.7-46.2-179.8-171.8-87.2000112.3M243 F254 D255 E256 Q257 M263 V272 V279 V281 Y294 Y298M243-F259 HydrophobicContact CE-CZ 3.86Å; F254-F259 HydrophobicContact CD2-CB 4.42Å; F254-F259 AromaticContact CD2-CD2 3.88Å; F254-F259 HydrophobicContact CD2-CD2 3.88Å; F254-F259 HydrophobicContact CD2-CE2 4.35Å; F254-F259 HydrophobicContact CD2-CG 4.22Å; F254-F259 HydrophobicContact CE2-CB 3.78Å; F254-F259 AromaticContact CE2-CD1 3.88Å; F254-F259 HydrophobicContact CE2-CD1 3.88Å; F254-F259 AromaticContact CE2-CD2 3.41Å; F254-F259 HydrophobicContact CE2-CD2 3.41Å; F254-F259 VanDerWaalsContact CE2-CD2 3.41Å; F254-F259 HydrophobicContact CE2-CE1 4.25Å; F254-F259 AromaticContact CE2-CE2 3.84Å; F254-F259 HydrophobicContact CE2-CE2 3.84Å; F254-F259 AromaticContact CE2-CG 3.41Å; F254-F259 HydrophobicContact CE2-CG 3.41Å; F254-F259 VanDerWaalsContact CE2-CG 3.41Å; F254-F259 HydrophobicContact CE2-CZ 4.22Å; F254-F259 HydrophobicContact CZ-CB 4.06Å; F254-F259 HydrophobicContact CZ-CD1 4.19Å; F254-F259 HydrophobicContact CZ-CD2 4.4Å; F254-F259 AromaticContact CZ-CG 3.98Å; F254-F259 HydrophobicContact CZ-CG 3.98Å; D255-F259 WeakPolarHBondContact O-CB 3.43Å; D255-F259 PolarHBondContact O-N 3.26Å; E256-F259 PolarHBondContact O-N 2.83Å; Q257-F259 VanDerWaalsContact C-N 3.32Å; F259-M263 HydrophobicContact CD1-CE 4.17Å; F259-M263 HydrophobicContact CE1-CE 3.26Å; F259-M263 HydrophobicContact CE2-CE 3.84Å; F259-M263 HydrophobicContact CZ-CE 3.08Å; F259-M263 WeakPolarHBondContact O-CB 3.44Å; F259-M263 PolarHBondContact O-N 2.73Å; F259-V272 HydrophobicContact CD1-CG1 3.8Å; F259-V272 HydrophobicContact CD1-CG2 4.02Å; F259-V272 HydrophobicContact CE1-CG1 3.95Å; F259-V272 HydrophobicContact CE1-CG2 4.04Å; F259-V279 HydrophobicContact CE1-CG2 4.18Å; F259-V279 HydrophobicContact CZ-CG1 4.41Å; F259-V279 HydrophobicContact CZ-CG2 4.34Å; F259-V281 HydrophobicContact CE1-CG2 3.48Å; F259-V281 VanDerWaalsContact CE1-CG2 3.48Å; F259-V281 HydrophobicContact CZ-CG2 3.69Å; F259-Y294 HydrophobicContact CD2-CD1 4.45Å; F259-Y294 AromaticContact CD2-CE1 3.67Å; F259-Y294 HydrophobicContact CD2-CE1 3.67Å; F259-Y294 HydrophobicContact CE2-CD1 4.07Å; F259-Y294 AromaticContact CE2-CE1 3.74Å; F259-Y294 HydrophobicContact CE2-CE1 3.74Å; F259-Y294 HydrophobicContact CG-CE1 4.29Å; F259-Y294 HydrophobicContact CZ-CE1 4.42Å; F259-Y298 AromaticContact CD2-CD2 3.91Å; F259-Y298 HydrophobicContact CD2-CD2 3.91Å; F259-Y298 HydrophobicContact CD2-CE1 4.22Å; F259-Y298 AromaticContact CD2-CE2 3.44Å; F259-Y298 HydrophobicContact CD2-CE2 3.44Å; F259-Y298 VanDerWaalsContact CD2-CE2 3.44Å; F259-Y298 HydrophobicContact CD2-CG 4.49Å; F259-Y298 AromaticContact CD2-CZ 3.6Å; F259-Y298 AromaticContact CE2-CD2 3.7Å; F259-Y298 HydrophobicContact CE2-CD2 3.7Å; F259-Y298 AromaticContact CE2-CE2 3.62Å; F259-Y298 HydrophobicContact CE2-CE2 3.62Å; F259-Y298 HydrophobicContact CE2-CG 4.41Å
260R86Confident86.6Confident75 Ų7574.1 Ų74.128%0.28338%0.384SS..Hα-helixtrans-61.7-43.5175.5-76.8176.8-177.1-83.21.9111.5E256 Q257 M263 S264 L270 V272E256-R260 HydrophobicContact CG-CG 4.42Å; E256-R260 WeakPolarHBondContact O-CB 3.36Å; E256-R260 VanDerWaalsContact O-CG 3.27Å; E256-R260 WeakPolarHBondContact O-CG 3.44Å; E256-R260 PolarHBondContact O-N 2.77Å; E256-R260 IonicContact OE1-CZ 2.75Å; E256-R260 IonicContact OE1-NE 3.6Å; E256-R260 PolarHBondContact OE1-NE 3.04Å; E256-R260 IonicContact OE1-NH2 3.83Å; E256-R260 PolarHBondContact OE1-NH2 2.89Å; Q257-R260 PolarHBondContact O-N 3.28Å; R260-M263 PolarHBondContact O-N 2.71Å; R260-S264 WeakPolarHBondContact O-CB 3.34Å; R260-S264 PolarHBondContact O-N 2.98Å; R260-L270 HydrophobicContact CB-CD2 4.47Å; R260-L270 WeakPolarHBondContact O-CD2 3.31Å; R260-V272 HydrophobicContact CG-CB 3.98Å; R260-V272 HydrophobicContact CG-CG1 4.49Å; R260-V272 HydrophobicContact CG-CG2 3.85Å; R260-V272 PolarHBondContact NH2-O 3.46Å
261Q87.8Confident85.9Confident127 Ų12769.3 Ų69.359%0.59336%0.358SS*.Hα-helixtrans-62.5-47.2-179.9-177.2173.90.600111.7Q257 E258 S264Q257-Q261 WeakPolarHBondContact O-CB 3.49Å; Q257-Q261 PolarHBondContact O-N 3.34Å; E258-Q261 PolarHBondContact O-N 3.25Å; Q261-S264 PolarHBondContact O-OG 2.71Å
262D90.4Very high85.4Confident44 Ų4464.4 Ų64.424%0.23534%0.337CS..Hα-helixtrans-67.8-40.8177.5-76.2-9.3000111.3K252 E258 S264 Q265 Y294K252-D262 IonicContact NZ-OD2 2.97Å; E258-D262 WeakPolarHBondContact O-CB 3.33Å; E258-D262 PolarHBondContact O-N 2.91Å; D262-S264 VanDerWaalsContact C-N 3.32Å; D262-S264 PolarHBondContact O-N 3.38Å; D262-Q265 WeakPolarHBondContact O-CB 3.25Å; D262-Q265 PolarHBondContact O-N 3.34Å; D262-Y294 HydrophobicContact CB-CE1 4.05Å; D262-Y294 HydrophobicContact CB-CE2 3.89Å; D262-Y294 VanDerWaalsContact CB-CZ 3.41Å; D262-Y294 WeakPolarHBondContact CB-OH 3.39Å; D262-Y294 PolarHBondContact OD2-OH 2.77Å
263M89.3Confident84.6Confident0 Ų061.8 Ų61.80%033%0.326CS..Hα-helixtrans-68.6-31.6-178-161.473.77500112.8M243 F259 R260 Q265 F266 L270 V281 V291 Y294M243-M263 HydrophobicContact CE-CE 3.36Å; M243-M263 HydrophobicContact CE-SD 4.49Å; F259-M263 HydrophobicContact CD1-CE 4.17Å; F259-M263 HydrophobicContact CE1-CE 3.26Å; F259-M263 HydrophobicContact CE2-CE 3.84Å; F259-M263 HydrophobicContact CZ-CE 3.08Å; F259-M263 WeakPolarHBondContact O-CB 3.44Å; F259-M263 PolarHBondContact O-N 2.73Å; R260-M263 PolarHBondContact O-N 2.71Å; M263-Q265 PolarHBondContact O-N 3.35Å; M263-F266 HydrophobicContact CB-CD2 4.46Å; M263-F266 HydrophobicContact CG-CD2 4.17Å; M263-F266 WeakPolarHBondContact O-CD2 3.25Å; M263-F266 PolarHBondContact O-N 2.86Å; M263-F266 HydrophobicContact SD-CD2 3.46Å; M263-F266 WeakPolarHBondContact SD-CD2 3.17Å; M263-F266 HydrophobicContact SD-CE2 3.84Å; M263-L270 HydrophobicContact CB-CD1 3.92Å; M263-L270 HydrophobicContact CB-CD2 3.78Å; M263-L270 HydrophobicContact CG-CD1 3.4Å; M263-L270 VanDerWaalsContact CG-CD1 3.4Å; M263-L270 HydrophobicContact CG-CD2 4.2Å; M263-L270 HydrophobicContact CG-CG 4.45Å; M263-V281 HydrophobicContact CE-CG1 4.16Å; M263-V281 HydrophobicContact CE-CG2 4.27Å; M263-V281 HydrophobicContact CG-CG1 4.2Å; M263-V291 HydrophobicContact CE-CG1 4.47Å; M263-V291 HydrophobicContact SD-CB 4.41Å; M263-V291 HydrophobicContact SD-CG1 3.87Å; M263-V291 HydrophobicContact SD-CG2 4.36Å; M263-Y294 HydrophobicContact CE-CD1 3.48Å; M263-Y294 VanDerWaalsContact CE-CD1 3.48Å; M263-Y294 HydrophobicContact CE-CE1 3.97Å; M263-Y294 HydrophobicContact SD-CD1 4.02Å
264S85.7Confident84.2Confident67 Ų6760.1 Ų60.147%0.46931%0.305SS..THydrogen-bonded Turntrans-60.8-14.6176.772.50000113.8R260 Q261 D262R260-S264 WeakPolarHBondContact O-CB 3.34Å; R260-S264 PolarHBondContact O-N 2.98Å; Q261-S264 PolarHBondContact O-OG 2.71Å; D262-S264 VanDerWaalsContact C-N 3.32Å; D262-S264 PolarHBondContact O-N 3.38Å
265Q88.5Confident83.6Confident143 Ų14361.2 Ų61.267%0.66831%0.313SS*.THydrogen-bonded Turntrans-81.2-15.9176.4-56.6176.822.900113D262 M263D262-Q265 WeakPolarHBondContact O-CB 3.25Å; D262-Q265 PolarHBondContact O-N 3.34Å; M263-Q265 PolarHBondContact O-N 3.35Å
266F88.5Confident83.1Confident46 Ų4666.5 Ų66.520%0.20234%0.335CS..SBendtrans-90.6-17.2-177-57.8-60.5000113.7M263 T285 K290 V291 Y294M263-F266 HydrophobicContact CB-CD2 4.46Å; M263-F266 HydrophobicContact CG-CD2 4.17Å; M263-F266 WeakPolarHBondContact O-CD2 3.25Å; M263-F266 PolarHBondContact O-N 2.86Å; M263-F266 HydrophobicContact SD-CD2 3.46Å; M263-F266 WeakPolarHBondContact SD-CD2 3.17Å; M263-F266 HydrophobicContact SD-CE2 3.84Å; F266-T285 VanDerWaalsContact O-CB 3.27Å; F266-T285 WeakPolarHBondContact O-CB 3.45Å; F266-T285 PolarHBondContact O-OG1 2.81Å; F266-K290 HydrophobicContact CD1-CB 3.86Å; F266-K290 HydrophobicContact CD1-CD 4.3Å; F266-K290 HydrophobicContact CE1-CB 3.97Å; F266-V291 HydrophobicContact CB-CG2 3.87Å; F266-V291 HydrophobicContact CD2-CG2 4.42Å; F266-V291 HydrophobicContact CG-CG2 4.26Å; F266-Y294 HydrophobicContact CE2-CD1 4.03Å; F266-Y294 HydrophobicContact CE2-CD2 4.23Å; F266-Y294 AromaticContact CE2-CG 3.77Å; F266-Y294 HydrophobicContact CE2-CG 3.77Å; F266-Y294 HydrophobicContact CZ-CD2 4.17Å; F266-Y294 HydrophobicContact CZ-CG 4.04Å
267G85.2Confident82.9Confident7 Ų768.4 Ų68.47%0.07234%0.344CS..EExtended strand (participates in β ladder)trans179.3-177.2-167.700000114.2H284G267-H284 CarbonylContact C-O 3.56Å; G267-H284 WeakPolarHBondContact CA-O 3.31Å
268D78.9Confident83.1Confident71 Ų7161.5 Ų61.538%0.3831%0.312SS..EExtended strand (participates in β ladder)trans-107.5-177.2170.367.519.5000111.9Y237 L270 V283 H284Y237-D268 HydrophobicContact CD2-CB 4.05Å; Y237-D268 VanDerWaalsContact CD2-OD2 3.25Å; Y237-D268 WeakPolarHBondContact CD2-OD2 3.44Å; Y237-D268 HydrophobicContact CE2-CB 3.76Å; Y237-D268 WeakPolarHBondContact CE2-OD2 3.4Å; D268-L270 PolarHBondContact O-N 3.03Å; D268-L270 VanDerWaalsContact O-N 3.12Å; D268-V283 WeakPolarHBondContact O-CG2 3.41Å; D268-H284 PolarHBondContact N-O 3.14Å; D268-H284 VanDerWaalsContact N-O 3.14Å; D268-H284 PolarHBondContact O-N 3.37Å; D268-H284 VanDerWaalsContact O-N 3.09Å; D268-H284 WeakPolarHBondContact OD1-CB 3.45Å; D268-H284 IonicContact OD1-CG 2.79Å; D268-H284 IonicContact OD1-ND1 3.3Å
269S76.2Confident83.2Confident75 Ų7557.6 Ų57.652%0.52429%0.294SS..EExtended strand (participates in β ladder)trans50.341.3179.5-63.60000113.3L271S269-L271 PolarHBondContact O-N 2.8Å
270L77.8Confident82.7Confident41 Ų4159.1 Ų59.122%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-71.4110.4-177.8176.564.9000111.1R260 M263 D268 V272 V281 H282 V283R260-L270 HydrophobicContact CB-CD2 4.47Å; R260-L270 WeakPolarHBondContact O-CD2 3.31Å; M263-L270 HydrophobicContact CB-CD1 3.92Å; M263-L270 HydrophobicContact CB-CD2 3.78Å; M263-L270 HydrophobicContact CG-CD1 3.4Å; M263-L270 VanDerWaalsContact CG-CD1 3.4Å; M263-L270 HydrophobicContact CG-CD2 4.2Å; M263-L270 HydrophobicContact CG-CG 4.45Å; D268-L270 PolarHBondContact O-N 3.03Å; D268-L270 VanDerWaalsContact O-N 3.12Å; L270-V272 HydrophobicContact CD1-CG2 3.67Å; L270-V272 HydrophobicContact CD2-CG2 4.2Å; L270-V272 HydrophobicContact CG-CG2 3.88Å; L270-V281 HydrophobicContact CD1-CG1 3.82Å; L270-H282 WeakPolarHBondContact CA-O 3.5Å; L270-V283 HydrophobicContact CD1-CB 4.09Å; L270-V283 HydrophobicContact CD1-CG2 4.34Å
271L71.5Confident82.7Confident65 Ų6555.8 Ų55.834%0.3429%0.288SS..EExtended strand (participates in β ladder)trans-102.6126164.7-161.982.1000108.6F219 S269 I273 V281 H282F219-L271 HydrophobicContact CZ-CD2 4.1Å; S269-L271 PolarHBondContact O-N 2.8Å; L271-I273 HydrophobicContact CD2-CD1 3.59Å; L271-I273 HydrophobicContact CD2-CG1 4.02Å; L271-I273 HydrophobicContact CG-CD1 4.19Å; L271-I273 HydrophobicContact CG-CG1 4.11Å; L271-V281 CarbonylContact O-C 3.59Å; L271-V281 VanDerWaalsContact O-CA 3.28Å; L271-V281 WeakPolarHBondContact O-CA 3.29Å; L271-H282 HydrophobicContact CB-CB 3.92Å; L271-H282 PolarHBondContact N-O 2.96Å; L271-H282 PolarHBondContact O-N 3.02Å
272V78.9Confident82.6Confident0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-124128.8171.2-1790000107.2F254 F259 R260 L270 V279 V281F254-V272 HydrophobicContact CZ-CG1 4.32Å; F259-V272 HydrophobicContact CD1-CG1 3.8Å; F259-V272 HydrophobicContact CD1-CG2 4.02Å; F259-V272 HydrophobicContact CE1-CG1 3.95Å; F259-V272 HydrophobicContact CE1-CG2 4.04Å; R260-V272 HydrophobicContact CG-CB 3.98Å; R260-V272 HydrophobicContact CG-CG1 4.49Å; R260-V272 HydrophobicContact CG-CG2 3.85Å; R260-V272 PolarHBondContact NH2-O 3.46Å; L270-V272 HydrophobicContact CD1-CG2 3.67Å; L270-V272 HydrophobicContact CD2-CG2 4.2Å; L270-V272 HydrophobicContact CG-CG2 3.88Å; V272-V279 HydrophobicContact CG1-CG2 3.68Å; V272-V281 HydrophobicContact CG2-CG1 4.43Å
273I73.5Confident82.4Confident14 Ų1448.9 Ų48.97%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-132.7126177.8-41.5-174.6000107.3V211 A212 I214 L271 V279 K280V211-I273 HydrophobicContact CG1-CB 3.78Å; V211-I273 HydrophobicContact CG1-CD1 3.73Å; V211-I273 HydrophobicContact CG1-CG1 3.35Å; V211-I273 HydrophobicContact CG1-CG2 3.46Å; V211-I273 VanDerWaalsContact CG1-CG2 3.46Å; A212-I273 HydrophobicContact CB-CD1 3.98Å; I214-I273 HydrophobicContact CD1-CB 4.41Å; I214-I273 HydrophobicContact CD1-CG2 3.79Å; I214-I273 HydrophobicContact CG1-CB 4.12Å; I214-I273 HydrophobicContact CG1-CG2 3.37Å; L271-I273 HydrophobicContact CD2-CD1 3.59Å; L271-I273 HydrophobicContact CD2-CG1 4.02Å; L271-I273 HydrophobicContact CG-CD1 4.19Å; L271-I273 HydrophobicContact CG-CG1 4.11Å; I273-V279 CarbonylContact O-C 3.54Å; I273-V279 WeakPolarHBondContact O-CA 3.29Å; I273-K280 HydrophobicContact CB-CB 4.48Å; I273-K280 PolarHBondContact N-O 3.37Å; I273-K280 PolarHBondContact O-N 2.91Å
274N80Confident82.2Confident48 Ų4850.4 Ų50.426%0.25726%0.262SS..EExtended strand (participates in β ladder)trans-139.2158.8178.364-81.1000112.1F247 F254 E256 I278 V279F247-N274 HydrophobicContact CZ-CB 4.25Å; F254-N274 HydrophobicContact CE1-CB 3.78Å; F254-N274 WeakPolarHBondContact CE1-ND2 3.4Å; F254-N274 HydrophobicContact CZ-CB 3.97Å; E256-N274 WeakPolarHBondContact CG-OD1 3.36Å; E256-N274 PolarHBondContact OE2-OD1 3.19Å; N274-I278 WeakPolarHBondContact CA-O 3.2Å; N274-I278 WeakPolarHBondContact CB-O 3.33Å; N274-V279 HydrophobicContact CB-CB 3.87Å; N274-V279 HydrophobicContact CB-CG2 4.01Å
275D79.1Confident82.5Confident69 Ų6947.3 Ų47.337%0.36924%0.24SC..  trans-121.6-157.3164.162.326.3000109.3F247 E277 I278F247-D275 WeakPolarHBondContact CE2-O 3.36Å; D275-E277 VanDerWaalsContact C-N 3.31Å; D275-E277 WeakPolarHBondContact OD1-CA 3.37Å; D275-E277 PolarHBondContact OD1-N 3.07Å; D275-I278 PolarHBondContact N-O 3.23Å; D275-I278 WeakPolarHBondContact OD1-CG1 3.49Å; D275-I278 PolarHBondContact OD1-N 3.15Å
276E79.3Confident82.7Confident193 Ų19343.2 Ų43.290%0.90222%0.221SC*.SBendtrans-76.9-14.5177.6-63.2-174.9178.200113.7
277E81.5Confident83Confident117 Ų11747.8 Ų47.855%0.54724%0.238SC..SBendtrans-114.9-31.9-173.5-63.8-165.9169.300114.1R246 F247 D275R246-E277 CarbonylContact C-O 3.56Å; R246-E277 IonicContact NH1-OE2 2.75Å; F247-E277 PolarHBondContact N-O 2.94Å; D275-E277 VanDerWaalsContact C-N 3.31Å; D275-E277 WeakPolarHBondContact OD1-CA 3.37Å; D275-E277 PolarHBondContact OD1-N 3.07Å
278I87.1Confident83.4Confident8 Ų848.3 Ų48.34%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-139.8158.3-172.364.8166.4000113I214 M244 V245 R246 N274 D275 I302I214-I278 HydrophobicContact CD1-CD1 4.19Å; I214-I278 HydrophobicContact CD1-CG1 4.23Å; I214-I278 HydrophobicContact CG2-CD1 3.96Å; M244-I278 HydrophobicContact CG-CD1 4.35Å; M244-I278 HydrophobicContact SD-CD1 3.87Å; V245-I278 CarbonylContact O-C 3.46Å; V245-I278 WeakPolarHBondContact O-CA 3.2Å; V245-I278 WeakPolarHBondContact O-CB 3.4Å; R246-I278 HydrophobicContact CB-CG2 4.33Å; R246-I278 HydrophobicContact CG-CG2 4.33Å; N274-I278 WeakPolarHBondContact CA-O 3.2Å; N274-I278 WeakPolarHBondContact CB-O 3.33Å; D275-I278 PolarHBondContact N-O 3.23Å; D275-I278 WeakPolarHBondContact OD1-CG1 3.49Å; D275-I278 PolarHBondContact OD1-N 3.15Å; I278-I302 HydrophobicContact CG2-CD1 3.79Å
279V88.8Confident84.2Confident0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-126.2134.4163.758.40000110.2M244 V245 F247 F254 F259 V272 I273 N274 V281M244-V279 CarbonylContact C-O 3.45Å; M244-V279 VanDerWaalsContact CA-O 3.31Å; M244-V279 WeakPolarHBondContact CA-O 3.48Å; V245-V279 HydrophobicContact CB-CG1 3.75Å; V245-V279 HydrophobicContact CG2-CG1 4.17Å; V245-V279 PolarHBondContact N-O 3.26Å; V245-V279 PolarHBondContact O-N 3.14Å; F247-V279 HydrophobicContact CE1-CB 3.84Å; F247-V279 HydrophobicContact CE1-CG1 3.53Å; F247-V279 HydrophobicContact CZ-CB 3.75Å; F247-V279 HydrophobicContact CZ-CG1 3.99Å; F254-V279 HydrophobicContact CD2-CG1 4.32Å; F254-V279 HydrophobicContact CE2-CB 3.81Å; F254-V279 HydrophobicContact CE2-CG1 3.86Å; F254-V279 HydrophobicContact CE2-CG2 3.75Å; F254-V279 HydrophobicContact CZ-CB 3.99Å; F254-V279 HydrophobicContact CZ-CG2 3.72Å; F259-V279 HydrophobicContact CE1-CG2 4.18Å; F259-V279 HydrophobicContact CZ-CG1 4.41Å; F259-V279 HydrophobicContact CZ-CG2 4.34Å; V272-V279 HydrophobicContact CG1-CG2 3.68Å; I273-V279 CarbonylContact O-C 3.54Å; I273-V279 WeakPolarHBondContact O-CA 3.29Å; N274-V279 HydrophobicContact CB-CB 3.87Å; N274-V279 HydrophobicContact CB-CG2 4.01Å; V279-V281 HydrophobicContact CG2-CG2 3.91Å
280K82.9Confident85Confident31 Ų3148.3 Ų48.314%0.13524%0.238CC..EExtended strand (participates in β ladder)trans-105.9139.1166.9-70.9-174.5172.6-172.10109.3I214 D215 M243 M244 I273I214-K280 HydrophobicContact CG1-CD 4.33Å; I214-K280 HydrophobicContact CG2-CD 3.75Å; I214-K280 VanDerWaalsContact CG2-CE 3.41Å; D215-K280 PolarHBondContact O-NZ 3.26Å; M243-K280 CarbonylContact O-C 3.59Å; M243-K280 VanDerWaalsContact O-CA 3.31Å; M243-K280 WeakPolarHBondContact O-CA 3.29Å; M244-K280 HydrophobicContact CB-CG 4.07Å; M244-K280 HydrophobicContact CG-CG 3.75Å; M244-K280 HydrophobicContact SD-CD 4.2Å; M244-K280 WeakPolarHBondContact SD-CE 3.49Å; M244-K280 HydrophobicContact SD-CG 3.91Å; I273-K280 HydrophobicContact CB-CB 4.48Å; I273-K280 PolarHBondContact N-O 3.37Å; I273-K280 PolarHBondContact O-N 2.91Å
281V86.3Confident85.8Confident6 Ų646.4 Ų46.44%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-134.2133-178.8-175.10000109E242 M243 F259 M263 L270 L271 V272 V279 V283E242-V281 CarbonylContact C-O 3.33Å; E242-V281 WeakPolarHBondContact CA-O 3.29Å; M243-V281 HydrophobicContact CE-CB 4.01Å; M243-V281 HydrophobicContact CE-CG1 4.43Å; M243-V281 HydrophobicContact CE-CG2 3.63Å; M243-V281 HydrophobicContact CG-CB 3.91Å; M243-V281 HydrophobicContact CG-CG2 4.21Å; M243-V281 PolarHBondContact N-O 3.46Å; M243-V281 PolarHBondContact O-N 3.18Å; F259-V281 HydrophobicContact CE1-CG2 3.48Å; F259-V281 VanDerWaalsContact CE1-CG2 3.48Å; F259-V281 HydrophobicContact CZ-CG2 3.69Å; M263-V281 HydrophobicContact CE-CG1 4.16Å; M263-V281 HydrophobicContact CE-CG2 4.27Å; M263-V281 HydrophobicContact CG-CG1 4.2Å; L270-V281 HydrophobicContact CD1-CG1 3.82Å; L271-V281 CarbonylContact O-C 3.59Å; L271-V281 VanDerWaalsContact O-CA 3.28Å; L271-V281 WeakPolarHBondContact O-CA 3.29Å; V272-V281 HydrophobicContact CG2-CG1 4.43Å; V279-V281 HydrophobicContact CG2-CG2 3.91Å; V281-V283 HydrophobicContact CG1-CG1 4.49Å
282H85Confident87Confident26 Ų2644.6 Ų44.612%0.1222%0.217CC..EExtended strand (participates in β ladder)trans-116.3131.4162.5-176.8133.3000107.5C240 E242 L270 L271 H284C240-H282 PolarHBondContact SG-CE1 3.43Å; C240-H282 PolarHBondContact SG-NE2 2.88Å; C240-H282 VanDerWaalsContact SG-NE2 3.36Å; E242-H282 HydrophobicContact CG-CB 4.43Å; L270-H282 WeakPolarHBondContact CA-O 3.5Å; L271-H282 HydrophobicContact CB-CB 3.92Å; L271-H282 PolarHBondContact N-O 2.96Å; L271-H282 PolarHBondContact O-N 3.02Å; H282-H284 AromaticContact CD2-CD2 3.92Å; H282-H284 AromaticContact CD2-NE2 3.92Å; H282-H284 AromaticContact CE1-NE2 3.99Å; H282-H284 AromaticContact NE2-CD2 3.35Å; H282-H284 PolarHBondContact NE2-CD2 3.46Å; H282-H284 VanDerWaalsContact NE2-CD2 3.35Å; H282-H284 AromaticContact NE2-NE2 3Å; H282-H284 PolarHBondContact NE2-NE2 3.45Å
283V86.9Confident87.8Confident0 Ų049.6 Ų49.60%024%0.244CC..EExtended strand (participates in β ladder)trans-150.7139.2173.862.10000109.1T241 D268 L270 V281 T285 V291T241-V283 WeakPolarHBondContact CB-O 3.34Å; T241-V283 PolarHBondContact N-O 3.48Å; T241-V283 PolarHBondContact O-N 3.2Å; D268-V283 WeakPolarHBondContact O-CG2 3.41Å; L270-V283 HydrophobicContact CD1-CB 4.09Å; L270-V283 HydrophobicContact CD1-CG2 4.34Å; V281-V283 HydrophobicContact CG1-CG1 4.49Å; V283-T285 HydrophobicContact CG1-CG2 4.42Å; V283-V291 HydrophobicContact CG1-CB 4.33Å; V283-V291 HydrophobicContact CG1-CG1 3.78Å; V283-V291 HydrophobicContact CG1-CG2 3.63Å
284H84.9Confident88.9Confident31 Ų3149.8 Ų49.814%0.14424%0.244CC..EExtended strand (participates in β ladder)trans-86.5120.1167.2-54.8156000108.4Y239 G267 D268 H282 M309Y239-H284 WeakPolarHBondContact O-CA 3.48Å; G267-H284 CarbonylContact C-O 3.56Å; G267-H284 WeakPolarHBondContact CA-O 3.31Å; D268-H284 PolarHBondContact N-O 3.14Å; D268-H284 VanDerWaalsContact N-O 3.14Å; D268-H284 PolarHBondContact O-N 3.37Å; D268-H284 VanDerWaalsContact O-N 3.09Å; D268-H284 WeakPolarHBondContact OD1-CB 3.45Å; D268-H284 IonicContact OD1-CG 2.79Å; D268-H284 IonicContact OD1-ND1 3.3Å; H282-H284 AromaticContact CD2-CD2 3.92Å; H282-H284 AromaticContact CD2-NE2 3.92Å; H282-H284 AromaticContact CE1-NE2 3.99Å; H282-H284 AromaticContact NE2-CD2 3.35Å; H282-H284 PolarHBondContact NE2-CD2 3.46Å; H282-H284 VanDerWaalsContact NE2-CD2 3.35Å; H282-H284 AromaticContact NE2-NE2 3Å; H282-H284 PolarHBondContact NE2-NE2 3.45Å; H284-M309 HydrophobicContact CB-CE 4.06Å
285T92.3Very high89.5Confident2 Ų247.5 Ų47.51%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-139.1158.7-176.7-176.60000111.2Y239 T241 F266 V283 Y287 P288 V291Y239-T285 VanDerWaalsContact CB-O 3.3Å; Y239-T285 WeakPolarHBondContact CB-O 3.43Å; Y239-T285 PolarHBondContact N-O 2.99Å; Y239-T285 VanDerWaalsContact N-O 3.12Å; Y239-T285 PolarHBondContact O-N 2.82Å; T241-T285 HydrophobicContact CG2-CG2 4.38Å; T241-T285 VanDerWaalsContact OG1-CG2 3.24Å; T241-T285 WeakPolarHBondContact OG1-CG2 3.3Å; F266-T285 VanDerWaalsContact O-CB 3.27Å; F266-T285 WeakPolarHBondContact O-CB 3.45Å; F266-T285 PolarHBondContact O-OG1 2.81Å; V283-T285 HydrophobicContact CG1-CG2 4.42Å; T285-Y287 PolarHBondContact OG1-N 3.47Å; T285-Y287 VanDerWaalsContact OG1-N 3.14Å; T285-P288 HydrophobicContact CG2-CB 4.44Å; T285-P288 HydrophobicContact CG2-CG 4.2Å; T285-V291 HydrophobicContact CG2-CG2 3.79Å
286E92.3Very high90.2Very high58 Ų5848.9 Ų48.927%0.27124%0.236SC..SBendtrans-87.9-16.5170.2-162.461.7-160.400111.6Y237 G238 R310Y237-E286 HydrophobicContact CD1-CB 4.46Å; G238-E286 PolarHBondContact N-OE2 2.89Å; E286-R310 IonicContact OE1-CZ 2.66Å; E286-R310 IonicContact OE1-NH1 3.54Å; E286-R310 PolarHBondContact OE1-NH1 3.5Å; E286-R310 IonicContact OE1-NH2 3.62Å; E286-R310 IonicContact OE2-CZ 2.72Å; E286-R310 IonicContact OE2-NH1 2.88Å; E286-R310 PolarHBondContact OE2-NH1 2.91Å; E286-R310 IonicContact OE2-NH2 3.48Å; E286-R310 PolarHBondContact OE2-NH2 2.94Å
287Y94.2Very high91Very high142 Ų14244.1 Ų44.156%0.55721%0.214SC*.  trans-129.373.5-176.7-58.2-81.6000111.6T285 G289 K290T285-Y287 PolarHBondContact OG1-N 3.47Å; T285-Y287 VanDerWaalsContact OG1-N 3.14Å; Y287-G289 PolarHBondContact O-N 2.87Å; Y287-K290 HydrophobicContact CG-CD 4.27Å; Y287-K290 WeakPolarHBondContact O-CB 3.4Å; Y287-K290 PolarHBondContact O-N 3.44Å
288P94.1Very high91.6Very high17 Ų1738.6 Ų38.611%0.1119%0.188CC..Hα-helixtrans-50.4-36.9-179.9-26.832.6000113.7Y239 T241 T285 K290 V291 F292 V306Y239-P288 HydrophobicContact CD1-CG 4.43Å; Y239-P288 HydrophobicContact CD2-CG 4Å; Y239-P288 HydrophobicContact CG-CG 3.77Å; T241-P288 HydrophobicContact CG2-CB 3.87Å; T241-P288 WeakPolarHBondContact OG1-CB 3.45Å; T241-P288 WeakPolarHBondContact OG1-CG 3.33Å; T285-P288 HydrophobicContact CG2-CB 4.44Å; T285-P288 HydrophobicContact CG2-CG 4.2Å; P288-K290 VanDerWaalsContact C-N 3.26Å; P288-K290 PolarHBondContact O-N 3.46Å; P288-V291 WeakPolarHBondContact O-CB 3.35Å; P288-V291 PolarHBondContact O-N 3.31Å; P288-V291 VanDerWaalsContact O-N 3.11Å; P288-F292 HydrophobicContact CB-CE2 4.14Å; P288-F292 HydrophobicContact CB-CZ 4.41Å; P288-F292 WeakPolarHBondContact O-CD2 3.33Å; P288-F292 WeakPolarHBondContact O-CG 3.32Å; P288-F292 PolarHBondContact O-N 2.91Å; P288-V306 HydrophobicContact CB-CG1 4.04Å; P288-V306 HydrophobicContact CB-CG2 3.83Å; P288-V306 HydrophobicContact CG-CG1 3.66Å; P288-V306 HydrophobicContact CG-CG2 4.39Å
289G94.9Very high92Very high38 Ų3838.4 Ų38.439%0.39219%0.187SC..Hα-helixtrans-59.6-30.417700000114.3Y287 N293Y287-G289 PolarHBondContact O-N 2.87Å; G289-N293 VanDerWaalsContact O-CB 3.26Å; G289-N293 WeakPolarHBondContact O-CB 3.47Å; G289-N293 PolarHBondContact O-N 3.45Å; G289-N293 PolarHBondContact O-ND2 3.49Å; G289-N293 VanDerWaalsContact O-ND2 3.12Å
290K94.4Very high92.1Very high109 Ų10944.6 Ų44.647%0.47422%0.216SC..Hα-helixtrans-68.7-41.8175.3-68.8-177-175.9171.50111.2F266 Y287 P288 N293 Y294F266-K290 HydrophobicContact CD1-CB 3.86Å; F266-K290 HydrophobicContact CD1-CD 4.3Å; F266-K290 HydrophobicContact CE1-CB 3.97Å; Y287-K290 HydrophobicContact CG-CD 4.27Å; Y287-K290 WeakPolarHBondContact O-CB 3.4Å; Y287-K290 PolarHBondContact O-N 3.44Å; P288-K290 VanDerWaalsContact C-N 3.26Å; P288-K290 PolarHBondContact O-N 3.46Å; K290-N293 PolarHBondContact O-N 3.46Å; K290-Y294 WeakPolarHBondContact O-CB 3.19Å; K290-Y294 PolarHBondContact O-N 2.94Å
291V94.5Very high92.6Very high0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-60.7-48.9176.3175.40000110.1T241 M243 M263 F266 V283 T285 P288 Y294 G295T241-V291 HydrophobicContact CG2-CB 4.19Å; T241-V291 HydrophobicContact CG2-CG1 4.09Å; M243-V291 HydrophobicContact CE-CG1 3.97Å; M243-V291 HydrophobicContact CG-CG1 4.44Å; M243-V291 HydrophobicContact SD-CG1 4.09Å; M263-V291 HydrophobicContact CE-CG1 4.47Å; M263-V291 HydrophobicContact SD-CB 4.41Å; M263-V291 HydrophobicContact SD-CG1 3.87Å; M263-V291 HydrophobicContact SD-CG2 4.36Å; F266-V291 HydrophobicContact CB-CG2 3.87Å; F266-V291 HydrophobicContact CD2-CG2 4.42Å; F266-V291 HydrophobicContact CG-CG2 4.26Å; V283-V291 HydrophobicContact CG1-CB 4.33Å; V283-V291 HydrophobicContact CG1-CG1 3.78Å; V283-V291 HydrophobicContact CG1-CG2 3.63Å; T285-V291 HydrophobicContact CG2-CG2 3.79Å; P288-V291 WeakPolarHBondContact O-CB 3.35Å; P288-V291 PolarHBondContact O-N 3.31Å; P288-V291 VanDerWaalsContact O-N 3.11Å; V291-Y294 PolarHBondContact O-N 3.5Å; V291-G295 PolarHBondContact O-N 2.9Å
292F96.5Very high92.5Very high28 Ų2847.9 Ų47.912%0.12323%0.234CC..Hα-helixtrans-64.6-44.2179.5-58.9-25.3000113.1T241 M243 P288 Y294 G295 Q296 L301 L304 V306T241-F292 HydrophobicContact CG2-CD1 4.11Å; T241-F292 HydrophobicContact CG2-CE1 3.3Å; T241-F292 HydrophobicContact CG2-CE2 4.49Å; T241-F292 HydrophobicContact CG2-CZ 3.56Å; M243-F292 HydrophobicContact CB-CD1 3.91Å; M243-F292 HydrophobicContact CB-CE1 3.9Å; M243-F292 HydrophobicContact CG-CD1 4.41Å; M243-F292 HydrophobicContact SD-CD1 4.13Å; P288-F292 HydrophobicContact CB-CE2 4.14Å; P288-F292 HydrophobicContact CB-CZ 4.41Å; P288-F292 WeakPolarHBondContact O-CD2 3.33Å; P288-F292 WeakPolarHBondContact O-CG 3.32Å; P288-F292 PolarHBondContact O-N 2.91Å; F292-Y294 VanDerWaalsContact C-N 3.27Å; F292-Y294 PolarHBondContact O-N 3.5Å; F292-G295 PolarHBondContact O-N 3.12Å; F292-Q296 WeakPolarHBondContact O-CB 3.47Å; F292-Q296 PolarHBondContact O-N 2.95Å; F292-L301 HydrophobicContact CB-CD1 4.39Å; F292-L304 HydrophobicContact CD1-CD2 3.6Å; F292-L304 HydrophobicContact CD2-CD2 4.46Å; F292-L304 HydrophobicContact CE1-CB 4.45Å; F292-L304 HydrophobicContact CE1-CD2 3.68Å; F292-L304 HydrophobicContact CG-CD2 4Å; F292-L304 HydrophobicContact CZ-CB 4.16Å; F292-L304 HydrophobicContact CZ-CD2 4.14Å; F292-V306 HydrophobicContact CE2-CG2 3.47Å; F292-V306 VanDerWaalsContact CE2-CG2 3.47Å; F292-V306 HydrophobicContact CZ-CG2 3.28Å
293N95.7Very high92.3Very high105 Ų10551.3 Ų51.356%0.56125%0.249SC*.Hα-helixtrans-62.8-36.2176.9-74-22.9000111.7G289 K290G289-N293 VanDerWaalsContact O-CB 3.26Å; G289-N293 WeakPolarHBondContact O-CB 3.47Å; G289-N293 PolarHBondContact O-N 3.45Å; G289-N293 PolarHBondContact O-ND2 3.49Å; G289-N293 VanDerWaalsContact O-ND2 3.12Å; K290-N293 PolarHBondContact O-N 3.46Å
294Y95.5Very high92.4Very high18 Ų1855.2 Ų55.27%0.07127%0.269CS..Hα-helixtrans-67.9-48.3175.3-175-101.8000111.4F259 D262 M263 F266 K290 V291 F292 Q296 Q297 Y298F259-Y294 HydrophobicContact CD2-CD1 4.45Å; F259-Y294 AromaticContact CD2-CE1 3.67Å; F259-Y294 HydrophobicContact CD2-CE1 3.67Å; F259-Y294 HydrophobicContact CE2-CD1 4.07Å; F259-Y294 AromaticContact CE2-CE1 3.74Å; F259-Y294 HydrophobicContact CE2-CE1 3.74Å; F259-Y294 HydrophobicContact CG-CE1 4.29Å; F259-Y294 HydrophobicContact CZ-CE1 4.42Å; D262-Y294 HydrophobicContact CB-CE1 4.05Å; D262-Y294 HydrophobicContact CB-CE2 3.89Å; D262-Y294 VanDerWaalsContact CB-CZ 3.41Å; D262-Y294 WeakPolarHBondContact CB-OH 3.39Å; D262-Y294 PolarHBondContact OD2-OH 2.77Å; M263-Y294 HydrophobicContact CE-CD1 3.48Å; M263-Y294 VanDerWaalsContact CE-CD1 3.48Å; M263-Y294 HydrophobicContact CE-CE1 3.97Å; M263-Y294 HydrophobicContact SD-CD1 4.02Å; F266-Y294 HydrophobicContact CE2-CD1 4.03Å; F266-Y294 HydrophobicContact CE2-CD2 4.23Å; F266-Y294 AromaticContact CE2-CG 3.77Å; F266-Y294 HydrophobicContact CE2-CG 3.77Å; F266-Y294 HydrophobicContact CZ-CD2 4.17Å; F266-Y294 HydrophobicContact CZ-CG 4.04Å; K290-Y294 WeakPolarHBondContact O-CB 3.19Å; K290-Y294 PolarHBondContact O-N 2.94Å; V291-Y294 PolarHBondContact O-N 3.5Å; F292-Y294 VanDerWaalsContact C-N 3.27Å; F292-Y294 PolarHBondContact O-N 3.5Å; Y294-Q296 VanDerWaalsContact C-N 3.31Å; Y294-Q296 PolarHBondContact O-N 3.02Å; Y294-Q297 VanDerWaalsContact O-CB 3.29Å; Y294-Q297 WeakPolarHBondContact O-CB 3.29Å; Y294-Q297 WeakPolarHBondContact O-CG 3.13Å; Y294-Q297 PolarHBondContact O-N 3.28Å; Y294-Q297 VanDerWaalsContact O-N 3.13Å; Y294-Y298 HydrophobicContact CD1-CE2 4.41Å; Y294-Y298 AromaticContact CE1-CE2 3.86Å; Y294-Y298 HydrophobicContact CE1-CE2 3.86Å; Y294-Y298 HydrophobicContact CE2-CE2 4.49Å; Y294-Y298 AromaticContact CZ-CE2 3.86Å; Y294-Y298 PolarHBondContact OH-OH 2.98Å
295G93.8Very high92.5Very high0 Ų056.1 Ų56.10%027%0.273CS..Hα-helixtrans-57.1-40.3174.900000113.7V245 V291 F292 Q297 Y298V245-G295 WeakPolarHBondContact CG1-O 3.3Å; V291-G295 PolarHBondContact O-N 2.9Å; F292-G295 PolarHBondContact O-N 3.12Å; G295-Q297 PolarHBondContact O-N 3.46Å; G295-Y298 PolarHBondContact O-N 2.82Å
296Q94.1Very high92.5Very high97 Ų9758.8 Ų58.845%0.45329%0.289SS..THydrogen-bonded Turntrans-62.6-16.2179.5-165.8179.17700114.2K251 F292 Y294 Y298 L301K251-Q296 PolarHBondContact NZ-O 2.92Å; F292-Q296 WeakPolarHBondContact O-CB 3.47Å; F292-Q296 PolarHBondContact O-N 2.95Å; Y294-Q296 VanDerWaalsContact C-N 3.31Å; Y294-Q296 PolarHBondContact O-N 3.02Å; Q296-Y298 PolarHBondContact O-N 2.85Å; Q296-L301 HydrophobicContact CB-CD1 4.31Å; Q296-L301 HydrophobicContact CB-CG 4.35Å
297Q95.1Very high92.2Very high94 Ų9459.5 Ų59.544%0.43929%0.292SS..THydrogen-bonded Turntrans-67.1-26.7173.4-60.1-176.29.800112.6K251 K252 Y294 G295K251-Q297 WeakPolarHBondContact CB-O 3.23Å; K252-Q297 WeakPolarHBondContact CB-O 3.42Å; K252-Q297 PolarHBondContact N-O 3.1Å; Y294-Q297 VanDerWaalsContact O-CB 3.29Å; Y294-Q297 WeakPolarHBondContact O-CB 3.29Å; Y294-Q297 WeakPolarHBondContact O-CG 3.13Å; Y294-Q297 PolarHBondContact O-N 3.28Å; Y294-Q297 VanDerWaalsContact O-N 3.13Å; G295-Q297 PolarHBondContact O-N 3.46Å
298Y95.1Very high91.9Very high1 Ų154.8 Ų54.80%0.00428%0.277CS..THydrogen-bonded Turntrans-93.1-20.9-178.6-64.1-90.2000112.6G248 K251 K252 A253 F254 F259 Y294 G295 Q296G248-Y298 PolarHBondContact N-O 3.17Å; K251-Y298 VanDerWaalsContact CB-C 3.5Å; K251-Y298 VanDerWaalsContact CB-O 3.24Å; K251-Y298 WeakPolarHBondContact CB-O 3.44Å; K252-Y298 HydrophobicContact CB-CD1 4.17Å; K252-Y298 HydrophobicContact CB-CE1 4.2Å; K252-Y298 HydrophobicContact CD-CE1 3.89Å; K252-Y298 HydrophobicContact CD-CE2 4.21Å; K252-Y298 WeakPolarHBondContact CE-OH 3.23Å; K252-Y298 HydrophobicContact CG-CD1 4.38Å; K252-Y298 HydrophobicContact CG-CE1 3.91Å; K252-Y298 PolarHBondContact NZ-OH 3.41Å; K252-Y298 WeakPolarHBondContact O-CD1 3.38Å; A253-Y298 VanDerWaalsContact O-CE1 3.27Å; A253-Y298 WeakPolarHBondContact O-CE1 3.2Å; F254-Y298 HydrophobicContact CB-CD1 3.9Å; F254-Y298 HydrophobicContact CB-CE1 4.32Å; F254-Y298 AromaticContact CD2-CD1 3.77Å; F254-Y298 HydrophobicContact CD2-CD1 3.77Å; F254-Y298 HydrophobicContact CD2-CE1 4.05Å; F254-Y298 HydrophobicContact CD2-CG 4.22Å; F254-Y298 HydrophobicContact CG-CD1 4.31Å; F259-Y298 AromaticContact CD2-CD2 3.91Å; F259-Y298 HydrophobicContact CD2-CD2 3.91Å; F259-Y298 HydrophobicContact CD2-CE1 4.22Å; F259-Y298 AromaticContact CD2-CE2 3.44Å; F259-Y298 HydrophobicContact CD2-CE2 3.44Å; F259-Y298 VanDerWaalsContact CD2-CE2 3.44Å; F259-Y298 HydrophobicContact CD2-CG 4.49Å; F259-Y298 AromaticContact CD2-CZ 3.6Å; F259-Y298 AromaticContact CE2-CD2 3.7Å; F259-Y298 HydrophobicContact CE2-CD2 3.7Å; F259-Y298 AromaticContact CE2-CE2 3.62Å; F259-Y298 HydrophobicContact CE2-CE2 3.62Å; F259-Y298 HydrophobicContact CE2-CG 4.41Å; Y294-Y298 HydrophobicContact CD1-CE2 4.41Å; Y294-Y298 AromaticContact CE1-CE2 3.86Å; Y294-Y298 HydrophobicContact CE1-CE2 3.86Å; Y294-Y298 HydrophobicContact CE2-CE2 4.49Å; Y294-Y298 AromaticContact CZ-CE2 3.86Å; Y294-Y298 PolarHBondContact OH-OH 2.98Å; G295-Y298 PolarHBondContact O-N 2.82Å; Q296-Y298 PolarHBondContact O-N 2.85Å
299G94.1Very high91.4Very high3 Ų354.3 Ų54.33%0.03127%0.273CS..EExtended strand (participates in β ladder)trans177-168.6-16700000117.7R246R246-G299 CarbonylContact O-C 3.57Å; R246-G299 WeakPolarHBondContact O-CA 3.44Å
300E92.4Very high90.8Very high131 Ų13155.1 Ų55.161%0.61226%0.264SS*.EExtended strand (participates in β ladder)trans-83.3131.2173.6178.8-178.9-159.100110V245 R246 I302V245-E300 CarbonylContact C-O 3.57Å; V245-E300 VanDerWaalsContact CA-O 3.27Å; V245-E300 WeakPolarHBondContact CA-O 3.31Å; R246-E300 HydrophobicContact CB-CB 4.42Å; R246-E300 PolarHBondContact N-O 3.03Å; R246-E300 PolarHBondContact O-N 2.83Å; E300-I302 PolarHBondContact O-N 3.16Å
301L92.6Very high90Very high41 Ų4153.9 Ų53.922%0.21526%0.26CS..EExtended strand (participates in β ladder)trans-76.3109.1174-62.3172.8000108.9M243 M244 V245 F292 Q296 L304M243-L301 HydrophobicContact SD-CD2 4.24Å; M244-L301 CarbonylContact O-C 3.49Å; V245-L301 HydrophobicContact CG2-CD2 3.68Å; F292-L301 HydrophobicContact CB-CD1 4.39Å; Q296-L301 HydrophobicContact CB-CD1 4.31Å; Q296-L301 HydrophobicContact CB-CG 4.35Å; L301-L304 HydrophobicContact CB-CD1 4.37Å; L301-L304 HydrophobicContact CB-CD2 4.07Å; L301-L304 HydrophobicContact CB-CG 4.31Å; L301-L304 HydrophobicContact CD1-CD1 3.98Å; L301-L304 HydrophobicContact CD1-CD2 4.02Å; L301-L304 HydrophobicContact CD2-CD2 3.99Å; L301-L304 HydrophobicContact CG-CD2 4.23Å
302I83.9Confident88.9Confident65 Ų6556.6 Ų56.633%0.33327%0.273SS..EExtended strand (participates in β ladder)trans-83.6-42.5-177.4-44.9175000111M244 R246 I278 E300M244-I302 HydrophobicContact CB-CB 4.48Å; M244-I302 HydrophobicContact CE-CB 3.66Å; M244-I302 HydrophobicContact CE-CD1 3.91Å; M244-I302 HydrophobicContact CE-CG1 4.39Å; M244-I302 HydrophobicContact CE-CG2 3.52Å; M244-I302 HydrophobicContact CG-CB 4.35Å; M244-I302 HydrophobicContact CG-CD1 4.01Å; M244-I302 HydrophobicContact CG-CG1 4.5Å; M244-I302 PolarHBondContact O-N 3.02Å; M244-I302 HydrophobicContact SD-CD1 4.37Å; R246-I302 HydrophobicContact CB-CD1 3.64Å; R246-I302 HydrophobicContact CB-CG1 3.84Å; R246-I302 HydrophobicContact CG-CD1 4.49Å; I278-I302 HydrophobicContact CG2-CD1 3.79Å; E300-I302 PolarHBondContact O-N 3.16Å
303K81.4Confident87.7Confident98 Ų9855.8 Ų55.843%0.42627%0.27SS..EExtended strand (participates in β ladder)trans-143.4137.4-178.1-167.3175.1-178.2-178.30108.9V220 M243 M244V220-K303 VanDerWaalsContact CG2-NZ 3.29Å; M243-K303 CarbonylContact C-O 3.14Å; M243-K303 WeakPolarHBondContact CA-O 3.45Å; M244-K303 HydrophobicContact CB-CB 4.12Å; M244-K303 HydrophobicContact CE-CB 4.2Å; M244-K303 PolarHBondContact N-O 3.18Å; M244-K303 PolarHBondContact O-N 2.89Å
304L89.2Confident86.6Confident82 Ų8257.1 Ų57.143%0.42927%0.267SS..EExtended strand (participates in β ladder)trans-132.8133.5177-58.4174.4000107.5M243 F292 L301M243-L304 HydrophobicContact CB-CD2 3.68Å; F292-L304 HydrophobicContact CD1-CD2 3.6Å; F292-L304 HydrophobicContact CD2-CD2 4.46Å; F292-L304 HydrophobicContact CE1-CB 4.45Å; F292-L304 HydrophobicContact CE1-CD2 3.68Å; F292-L304 HydrophobicContact CG-CD2 4Å; F292-L304 HydrophobicContact CZ-CB 4.16Å; F292-L304 HydrophobicContact CZ-CD2 4.14Å; L301-L304 HydrophobicContact CB-CD1 4.37Å; L301-L304 HydrophobicContact CB-CD2 4.07Å; L301-L304 HydrophobicContact CB-CG 4.31Å; L301-L304 HydrophobicContact CD1-CD1 3.98Å; L301-L304 HydrophobicContact CD1-CD2 4.02Å; L301-L304 HydrophobicContact CD2-CD2 3.99Å; L301-L304 HydrophobicContact CG-CD2 4.23Å
305K87.2Confident85.4Confident50 Ų5061.5 Ų61.522%0.21729%0.288CS..EExtended strand (participates in β ladder)trans-136.9135.4173.2-177.4-174.2165.5-153.30108E242 E307E242-K305 HydrophobicContact CB-CB 4.2Å; E242-K305 PolarHBondContact N-O 2.87Å; E242-K305 PolarHBondContact O-N 3.49Å; E242-K305 WeakPolarHBondContact OE1-CD 3.49Å; E242-K305 IonicContact OE1-NZ 3.19Å; E242-K305 PolarHBondContact OE1-NZ 3.43Å; K305-E307 HydrophobicContact CG-CG 4.29Å
306V91.8Very high83.9Confident58 Ų5862.6 Ų62.635%0.35230%0.295SS..EExtended strand (participates in β ladder)trans-135.9113.4175.4-176.60000106.7Y239 C240 T241 P288 F292Y239-V306 HydrophobicContact CD1-CG1 3.72Å; Y239-V306 HydrophobicContact CG-CG1 4.13Å; C240-V306 WeakPolarHBondContact O-CA 3.22Å; T241-V306 HydrophobicContact CG2-CG2 4.46Å; P288-V306 HydrophobicContact CB-CG1 4.04Å; P288-V306 HydrophobicContact CB-CG2 3.83Å; P288-V306 HydrophobicContact CG-CG1 3.66Å; P288-V306 HydrophobicContact CG-CG2 4.39Å; F292-V306 HydrophobicContact CE2-CG2 3.47Å; F292-V306 VanDerWaalsContact CE2-CG2 3.47Å; F292-V306 HydrophobicContact CZ-CG2 3.28Å
307E86.3Confident82.4Confident72 Ų7260 Ų6034%0.33628%0.283SS..EExtended strand (participates in β ladder)trans-106133.6174.5-66-58.414800109.6Y239 C240 K305 M309 Q312Y239-E307 CarbonylContact C-O 3.4Å; Y239-E307 VanDerWaalsContact CA-O 3.27Å; Y239-E307 WeakPolarHBondContact CA-O 3.27Å; C240-E307 HydrophobicContact CB-CB 4.28Å; C240-E307 PolarHBondContact N-O 3.45Å; C240-E307 PolarHBondContact O-N 3.28Å; K305-E307 HydrophobicContact CG-CG 4.29Å; E307-M309 PolarHBondContact O-N 3.4Å; E307-Q312 PolarHBondContact OE2-NE2 3.29Å
308N87.2Confident80.7Confident44 Ų4462.6 Ų62.624%0.23529%0.289CS..EExtended strand (participates in β ladder)trans-87.697.2175.3-172.9-21.6000108.9Y239 R310 E311 Q312Y239-N308 HydrophobicContact CD1-CB 4.05Å; Y239-N308 HydrophobicContact CE1-CB 3.89Å; N308-R310 PolarHBondContact O-N 3.07Å; N308-R310 WeakPolarHBondContact OD1-CB 3.46Å; N308-R310 PolarHBondContact OD1-N 3.3Å; N308-R310 VanDerWaalsContact OD1-N 3.08Å; N308-E311 HydrophobicContact CB-CB 4.11Å; N308-E311 HydrophobicContact CB-CG 4.14Å; N308-E311 WeakPolarHBondContact ND2-CG 3.31Å; N308-E311 PolarHBondContact O-N 2.79Å; N308-E311 PolarHBondContact OD1-N 3.45Å; N308-Q312 PolarHBondContact O-N 3.5Å
309M83Confident78.8Confident7 Ų769.6 Ų69.63%0.03432%0.32CS..Hα-helixtrans-62.6-27.1-178.8-61.7-172.2-61.800111.8F226 I235 Y237 G238 C240 H284 E307 H313F226-M309 HydrophobicContact CZ-SD 4.21Å; I235-M309 HydrophobicContact CG2-CE 4.14Å; Y237-M309 WeakPolarHBondContact O-CE 3.45Å; G238-M309 PolarHBondContact O-N 3.42Å; C240-M309 HydrophobicContact CB-CG 3.89Å; C240-M309 HydrophobicContact CB-SD 3.86Å; H284-M309 HydrophobicContact CB-CE 4.06Å; E307-M309 PolarHBondContact O-N 3.4Å; M309-H313 VanDerWaalsContact O-CB 3.24Å; M309-H313 WeakPolarHBondContact O-CB 3.25Å; M309-H313 PolarHBondContact O-N 3.02Å
310R82.4Confident76.6Confident55 Ų5572 Ų7221%0.20833%0.33CS..Hα-helixtrans-69.9-36.3174.7-60.4-177.7-176.9125.74.7111.9T232 I235 I236 E286 N308 R314T232-R310 HydrophobicContact CG2-CB 3.85Å; T232-R310 HydrophobicContact CG2-CG 4.13Å; I235-R310 HydrophobicContact CB-CG 4.32Å; I235-R310 HydrophobicContact CD1-CG 4.34Å; I235-R310 HydrophobicContact CG2-CG 4.27Å; I235-R310 PolarHBondContact O-NE 3.33Å; I235-R310 PolarHBondContact O-NH2 3.16Å; I236-R310 PolarHBondContact O-NH2 3.5Å; E286-R310 IonicContact OE1-CZ 2.66Å; E286-R310 IonicContact OE1-NH1 3.54Å; E286-R310 PolarHBondContact OE1-NH1 3.5Å; E286-R310 IonicContact OE1-NH2 3.62Å; E286-R310 IonicContact OE2-CZ 2.72Å; E286-R310 IonicContact OE2-NH1 2.88Å; E286-R310 PolarHBondContact OE2-NH1 2.91Å; E286-R310 IonicContact OE2-NH2 3.48Å; E286-R310 PolarHBondContact OE2-NH2 2.94Å; N308-R310 PolarHBondContact O-N 3.07Å; N308-R310 WeakPolarHBondContact OD1-CB 3.46Å; N308-R310 PolarHBondContact OD1-N 3.3Å; N308-R310 VanDerWaalsContact OD1-N 3.08Å; R310-R314 VanDerWaalsContact O-CB 3.31Å; R310-R314 WeakPolarHBondContact O-CB 3.32Å; R310-R314 PolarHBondContact O-N 3.35Å
311E78.7Confident74.3Confident82 Ų8272.2 Ų72.238%0.38333%0.331SS..Hα-helixtrans-73.7-42.1174-70-60.2125.500111.2N308 H313 R314 E315N308-E311 HydrophobicContact CB-CB 4.11Å; N308-E311 HydrophobicContact CB-CG 4.14Å; N308-E311 WeakPolarHBondContact ND2-CG 3.31Å; N308-E311 PolarHBondContact O-N 2.79Å; N308-E311 PolarHBondContact OD1-N 3.45Å; E311-H313 VanDerWaalsContact C-N 3.33Å; E311-H313 PolarHBondContact O-N 3.43Å; E311-R314 CarbonylContact O-C 3.54Å; E311-R314 WeakPolarHBondContact O-CA 3.32Å; E311-R314 PolarHBondContact O-N 2.92Å; E311-R314 VanDerWaalsContact O-N 3.08Å; E311-R314 IonicContact OE1-CZ 2.77Å; E311-R314 IonicContact OE1-NH1 2.73Å; E311-R314 PolarHBondContact OE1-NH1 3.4Å; E311-R314 IonicContact OE1-NH2 3.53Å; E311-R314 IonicContact OE2-NH1 3.74Å; E311-E315 WeakPolarHBondContact O-CB 3.3Å; E311-E315 WeakPolarHBondContact O-CG 3.42Å; E311-E315 PolarHBondContact O-N 3.2Å
312Q71.5Confident72Confident58 Ų5877 Ų7727%0.27135%0.352SS..Hα-helixtrans-55.9-49172.7-72.4176.9-16.700110.8E307 N308 R314 E315 V316E307-Q312 PolarHBondContact OE2-NE2 3.29Å; N308-Q312 PolarHBondContact O-N 3.5Å; Q312-R314 VanDerWaalsContact C-N 3.34Å; Q312-R314 PolarHBondContact O-N 3.49Å; Q312-E315 WeakPolarHBondContact O-CB 3.4Å; Q312-E315 PolarHBondContact O-N 3.46Å; Q312-E315 VanDerWaalsContact O-N 3.14Å; Q312-V316 WeakPolarHBondContact O-CG2 3.44Å; Q312-V316 PolarHBondContact O-N 3.25Å
313H70Confident69.8Low11 Ų1178.7 Ų78.75%0.05137%0.365CS..Hα-helixtrans-64-37.6175-170.7-107.5000112.4I230 T232 I235 M309 E311 E315 V316 I317I230-H313 PolarHBondContact O-CE1 3.16Å; I230-H313 PolarHBondContact O-NE2 3.49Å; I230-H313 VanDerWaalsContact O-NE2 3.13Å; T232-H313 PolarHBondContact OG1-ND1 2.95Å; I235-H313 HydrophobicContact CD1-CB 4.27Å; M309-H313 VanDerWaalsContact O-CB 3.24Å; M309-H313 WeakPolarHBondContact O-CB 3.25Å; M309-H313 PolarHBondContact O-N 3.02Å; E311-H313 VanDerWaalsContact C-N 3.33Å; E311-H313 PolarHBondContact O-N 3.43Å; H313-E315 VanDerWaalsContact C-N 3.31Å; H313-E315 PolarHBondContact O-N 3.34Å; H313-V316 PolarHBondContact O-N 3.03Å; H313-I317 WeakPolarHBondContact CE1-CD1 3.4Å; H313-I317 WeakPolarHBondContact ND1-CD1 3.33Å; H313-I317 WeakPolarHBondContact O-CB 3.44Å; H313-I317 VanDerWaalsContact O-CG1 3.32Å; H313-I317 WeakPolarHBondContact O-CG1 3.41Å; H313-I317 PolarHBondContact O-N 2.97Å
314R74Confident67.6Low132 Ų13277.5 Ų77.550%0.49837%0.374SS..Hα-helixtrans-66.2-32.8173.4-122.7-176.2-98.8147.61.9112.4R310 E311 Q312 R318R310-R314 VanDerWaalsContact O-CB 3.31Å; R310-R314 WeakPolarHBondContact O-CB 3.32Å; R310-R314 PolarHBondContact O-N 3.35Å; E311-R314 CarbonylContact O-C 3.54Å; E311-R314 WeakPolarHBondContact O-CA 3.32Å; E311-R314 PolarHBondContact O-N 2.92Å; E311-R314 VanDerWaalsContact O-N 3.08Å; E311-R314 IonicContact OE1-CZ 2.77Å; E311-R314 IonicContact OE1-NH1 2.73Å; E311-R314 PolarHBondContact OE1-NH1 3.4Å; E311-R314 IonicContact OE1-NH2 3.53Å; E311-R314 IonicContact OE2-NH1 3.74Å; Q312-R314 VanDerWaalsContact C-N 3.34Å; Q312-R314 PolarHBondContact O-N 3.49Å; R314-R318 WeakPolarHBondContact O-CA 3.21Å; R314-R318 WeakPolarHBondContact O-CB 3.42Å; R314-R318 PolarHBondContact O-N 2.89Å
315E68.7Low65.2Low111 Ų11179.7 Ų79.752%0.51938%0.38SS..Hα-helixtrans-71.2-40173.7-77.7-165.3161.600111.2E311 Q312 H313 R318 K319E311-E315 WeakPolarHBondContact O-CB 3.3Å; E311-E315 WeakPolarHBondContact O-CG 3.42Å; E311-E315 PolarHBondContact O-N 3.2Å; Q312-E315 WeakPolarHBondContact O-CB 3.4Å; Q312-E315 PolarHBondContact O-N 3.46Å; Q312-E315 VanDerWaalsContact O-N 3.14Å; H313-E315 VanDerWaalsContact C-N 3.31Å; H313-E315 PolarHBondContact O-N 3.34Å; E315-R318 PolarHBondContact O-N 3.13Å; E315-K319 VanDerWaalsContact O-CB 3.29Å; E315-K319 WeakPolarHBondContact O-CB 3.38Å; E315-K319 VanDerWaalsContact O-CG 3.3Å; E315-K319 WeakPolarHBondContact O-CG 3.24Å; E315-K319 PolarHBondContact O-N 3.1Å
316V64.1Low63.1Low23 Ų2382.3 Ų82.314%0.13940%0.402CS..Hα-helixtrans-58.3-52.5169.2174.70000109.4Q312 H313 R318 K319 E320Q312-V316 WeakPolarHBondContact O-CG2 3.44Å; Q312-V316 PolarHBondContact O-N 3.25Å; H313-V316 PolarHBondContact O-N 3.03Å; V316-R318 VanDerWaalsContact C-N 3.31Å; V316-R318 PolarHBondContact O-N 3.12Å; V316-K319 PolarHBondContact O-N 3.49Å; V316-E320 WeakPolarHBondContact O-CB 3.48Å; V316-E320 VanDerWaalsContact O-CG 3.25Å; V316-E320 WeakPolarHBondContact O-CG 3.42Å; V316-E320 PolarHBondContact O-N 3.16Å
317I61.3Low60.8Low41 Ų4189 Ų8921%0.2143%0.426CS..Hα-helixtrans-58.8-41174.9-68.3168.1000111.5T232 H313 E320 Q321T232-I317 WeakPolarHBondContact OG1-CD1 3.31Å; H313-I317 WeakPolarHBondContact CE1-CD1 3.4Å; H313-I317 WeakPolarHBondContact ND1-CD1 3.33Å; H313-I317 WeakPolarHBondContact O-CB 3.44Å; H313-I317 VanDerWaalsContact O-CG1 3.32Å; H313-I317 WeakPolarHBondContact O-CG1 3.41Å; H313-I317 PolarHBondContact O-N 2.97Å; I317-E320 CarbonylContact O-C 3.49Å; I317-E320 VanDerWaalsContact O-C 3.24Å; I317-E320 WeakPolarHBondContact O-CA 3.32Å; I317-E320 WeakPolarHBondContact O-CB 3.5Å; I317-E320 PolarHBondContact O-N 3.25Å; I317-Q321 HydrophobicContact CG2-CG 3.99Å; I317-Q321 WeakPolarHBondContact O-CB 3.44Å; I317-Q321 VanDerWaalsContact O-CG 3.25Å; I317-Q321 WeakPolarHBondContact O-CG 3.21Å; I317-Q321 PolarHBondContact O-N 2.71Å
318R60Low59.3Low149 Ų14989 Ų8956%0.56243%0.427SS*.Hα-helixtrans-72.1-38.1-177.3-177.1-179.4171.8-167.3-4.4111R314 E315 V316 E320 Q321 H322R314-R318 WeakPolarHBondContact O-CA 3.21Å; R314-R318 WeakPolarHBondContact O-CB 3.42Å; R314-R318 PolarHBondContact O-N 2.89Å; E315-R318 PolarHBondContact O-N 3.13Å; V316-R318 VanDerWaalsContact C-N 3.31Å; V316-R318 PolarHBondContact O-N 3.12Å; R318-E320 VanDerWaalsContact C-N 3.33Å; R318-Q321 PolarHBondContact O-N 2.88Å; R318-H322 PolarHBondContact NE-NE2 3.18Å; R318-H322 WeakPolarHBondContact O-CB 3.34Å; R318-H322 PolarHBondContact O-N 2.85Å
319K55.7Low58Low149 Ų14993.3 Ų93.365%0.64845%0.446SS*.Hα-helixtrans-57.4-50.7166.4-75.4178.4-178.4178.90107.9E315 V316 Q321 H322 T323E315-K319 VanDerWaalsContact O-CB 3.29Å; E315-K319 WeakPolarHBondContact O-CB 3.38Å; E315-K319 VanDerWaalsContact O-CG 3.3Å; E315-K319 WeakPolarHBondContact O-CG 3.24Å; E315-K319 PolarHBondContact O-N 3.1Å; V316-K319 PolarHBondContact O-N 3.49Å; K319-Q321 VanDerWaalsContact C-N 3.25Å; K319-Q321 PolarHBondContact O-N 3.08Å; K319-Q321 VanDerWaalsContact O-N 3.16Å; K319-H322 PolarHBondContact O-N 3.4Å; K319-T323 WeakPolarHBondContact O-CB 3.37Å; K319-T323 PolarHBondContact O-N 3.44Å; K319-T323 PolarHBondContact O-OG1 2.97Å
320E47.7Very low57.7Low52 Ų5297.8 Ų97.824%0.24347%0.474CS..Hα-helixtrans-65.4-10.5173.8-67.7-174.4154.100116.5V316 I317 R318 T323 K325V316-E320 WeakPolarHBondContact O-CB 3.48Å; V316-E320 VanDerWaalsContact O-CG 3.25Å; V316-E320 WeakPolarHBondContact O-CG 3.42Å; V316-E320 PolarHBondContact O-N 3.16Å; I317-E320 CarbonylContact O-C 3.49Å; I317-E320 VanDerWaalsContact O-C 3.24Å; I317-E320 WeakPolarHBondContact O-CA 3.32Å; I317-E320 WeakPolarHBondContact O-CB 3.5Å; I317-E320 PolarHBondContact O-N 3.25Å; R318-E320 VanDerWaalsContact C-N 3.33Å; E320-T323 CarbonylContact C-O 3.47Å; E320-K325 HydrophobicContact CB-CG 4.48Å; E320-K325 PolarHBondContact O-N 3.43Å; E320-K325 VanDerWaalsContact OE1-CE 3.23Å; E320-K325 WeakPolarHBondContact OE1-CE 3.01Å; E320-K325 IonicContact OE1-NZ 2.62Å; E320-K325 PolarHBondContact OE1-NZ 2.71Å; E320-K325 WeakPolarHBondContact OE2-CE 3.39Å; E320-K325 IonicContact OE2-NZ 3.94Å; E320-K325 PolarHBondContact OE2-NZ 3.13Å
321Q43.8Very low57.9Low137 Ų13796.7 Ų96.764%0.6447%0.473SS*.Hα-helixtrans-103.6-31.9175.5-79.1-179.84.100111.8I317 R318 K319 A324I317-Q321 HydrophobicContact CG2-CG 3.99Å; I317-Q321 WeakPolarHBondContact O-CB 3.44Å; I317-Q321 VanDerWaalsContact O-CG 3.25Å; I317-Q321 WeakPolarHBondContact O-CG 3.21Å; I317-Q321 PolarHBondContact O-N 2.71Å; R318-Q321 PolarHBondContact O-N 2.88Å; K319-Q321 VanDerWaalsContact C-N 3.25Å; K319-Q321 PolarHBondContact O-N 3.08Å; K319-Q321 VanDerWaalsContact O-N 3.16Å; Q321-A324 PolarHBondContact O-N 2.62Å
322H43.6Very low58.4Low142 Ų14298.3 Ų98.366%0.65748%0.481SS*.Hα-helixtrans-81.8-37.6173.3-77.5-9.9000111.6R318 K319 A324R318-H322 PolarHBondContact NE-NE2 3.18Å; R318-H322 WeakPolarHBondContact O-CB 3.34Å; R318-H322 PolarHBondContact O-N 2.85Å; K319-H322 PolarHBondContact O-N 3.4Å; H322-A324 VanDerWaalsContact C-N 3.27Å; H322-A324 PolarHBondContact O-N 2.89Å
323T37.4Very low59.5Low99 Ų9996.2 Ų96.261%0.60747%0.471SS*.THydrogen-bonded Turntrans-80.187.3147.262.60000104.6K319 E320 K325K319-T323 WeakPolarHBondContact O-CB 3.37Å; K319-T323 PolarHBondContact O-N 3.44Å; K319-T323 PolarHBondContact O-OG1 2.97Å; E320-T323 CarbonylContact C-O 3.47Å; T323-K325 PolarHBondContact O-N 2.98Å
324A36.3Very low60.8Low73 Ų7395.7 Ų95.760%0.60347%0.469SS*.THydrogen-bonded Turntrans-43.5113.4168.900000106.3Q321 H322 P326Q321-A324 PolarHBondContact O-N 2.62Å; H322-A324 VanDerWaalsContact C-N 3.27Å; H322-A324 PolarHBondContact O-N 2.89Å; A324-P326 VanDerWaalsContact C-N 3.33Å; A324-P326 WeakPolarHBondContact O-CD 3.39Å
325K38.9Very low61.8Low129 Ų12989.6 Ų89.656%0.56145%0.446SS*.  trans-43.8111.4167.2-89.7178.6168.3154.80103.2E320 T323 K327E320-K325 HydrophobicContact CB-CG 4.48Å; E320-K325 PolarHBondContact O-N 3.43Å; E320-K325 VanDerWaalsContact OE1-CE 3.23Å; E320-K325 WeakPolarHBondContact OE1-CE 3.01Å; E320-K325 IonicContact OE1-NZ 2.62Å; E320-K325 PolarHBondContact OE1-NZ 2.71Å; E320-K325 WeakPolarHBondContact OE2-CE 3.39Å; E320-K325 IonicContact OE2-NZ 3.94Å; E320-K325 PolarHBondContact OE2-NZ 3.13Å; T323-K325 PolarHBondContact O-N 2.98Å; K325-K327 PolarHBondContact O-N 3.17Å
326P43Very low63.2Low104 Ų10484.3 Ų84.368%0.67542%0.422SS*.  trans-52.7126.2173.36.9-7.1000102.2A324 M328A324-P326 VanDerWaalsContact C-N 3.33Å; A324-P326 WeakPolarHBondContact O-CD 3.39Å; P326-M328 PolarHBondContact O-N 2.85Å
327K44.4Very low64.6Low199 Ų19983.2 Ų83.287%0.86542%0.415SS*.  trans-46.6109.8163.4-82.2177.3174.2176.10102.9K325 E329K325-K327 PolarHBondContact O-N 3.17Å; K327-E329 PolarHBondContact O-N 3.46Å
328M54.4Low66.2Low72 Ų7281.3 Ų81.336%0.35541%0.405SS..PPolyproline II helixtrans-49.3120.3-174.2-98-177.5168.900105.6P326 T330 V373 Q376P326-M328 PolarHBondContact O-N 2.85Å; M328-T330 PolarHBondContact O-N 2.99Å; M328-V373 HydrophobicContact CE-CB 4.49Å; M328-V373 HydrophobicContact CE-CG1 4.2Å; M328-V373 HydrophobicContact CE-CG2 4.01Å; M328-Q376 HydrophobicContact SD-CB 3.55Å; M328-Q376 VanDerWaalsContact SD-CB 3.55Å; M328-Q376 HydrophobicContact SD-CG 4.47Å; M328-Q376 PolarHBondContact SD-OE1 3.31Å
329E59.2Low67.6Low135 Ų13574.3 Ų74.363%0.63138%0.379SS*.PPolyproline II helixtrans-64.6119-170.3-72.7-169.1158.600106.5K327 V331 H355K327-E329 PolarHBondContact O-N 3.46Å; E329-V331 HydrophobicContact CB-CG1 4.21Å; E329-V331 PolarHBondContact O-N 3.28Å; E329-V331 VanDerWaalsContact O-N 3.16Å; E329-H355 PolarHBondContact O-CE1 3.37Å
330T77.2Confident69Low101 Ų10168.5 Ų68.562%0.6236%0.355SS*.PPolyproline II helixtrans-69.8116.1172.354.90000107.2M328 S377 K378M328-T330 PolarHBondContact O-N 2.99Å; T330-S377 WeakPolarHBondContact CA-O 3.49Å; T330-K378 HydrophobicContact CG2-CB 4.25Å; T330-K378 HydrophobicContact CG2-CD 4.11Å; T330-K378 HydrophobicContact CG2-CG 4.47Å
331V86.2Confident70.8Confident32 Ų3267 Ų6719%0.19435%0.353CS..  trans-121.4151.4-175.4-70.30000109.3E329 T333 A334 T354 C379E329-V331 HydrophobicContact CB-CG1 4.21Å; E329-V331 PolarHBondContact O-N 3.28Å; E329-V331 VanDerWaalsContact O-N 3.16Å; V331-T333 VanDerWaalsContact CG2-O 3.31Å; V331-T333 WeakPolarHBondContact CG2-O 3.48Å; V331-A334 HydrophobicContact CG2-CB 3.84Å; V331-T354 HydrophobicContact CG1-CG2 4.04Å; V331-T354 HydrophobicContact CG2-CG2 4.34Å; V331-C379 HydrophobicContact CG2-CB 4.48Å; V331-C379 WeakPolarHBondContact O-CA 3.45Å; V331-C379 WeakPolarHBondContact O-CB 3.29Å
332E89.8Confident72.9Confident116 Ų11668.2 Ų68.254%0.54236%0.359SS..SBendtrans-69.6-42175.4-179.2155.4-142.700111.4K380 R381E332-K380 HydrophobicContact CG-CD 4.38Å; E332-K380 PolarHBondContact O-N 2.96Å; E332-K380 IonicContact OE1-NZ 2.8Å; E332-K380 PolarHBondContact OE1-NZ 3.47Å; E332-R381 PolarHBondContact O-N 3.19Å; E332-R381 VanDerWaalsContact O-N 3.16Å
333T94.5Very high75.2Confident13 Ų1362 Ų628%0.0833%0.333CS..EExtended strand (participates in β ladder)trans-117.5119.2170.9-54.40000109V331 R381 I383V331-T333 VanDerWaalsContact CG2-O 3.31Å; V331-T333 WeakPolarHBondContact CG2-O 3.48Å; T333-R381 CarbonylContact C-O 3.56Å; T333-R381 VanDerWaalsContact CA-O 3.29Å; T333-R381 WeakPolarHBondContact CA-O 3.42Å; T333-R381 HydrophobicContact CG2-CB 4.08Å; T333-R381 PolarHBondContact OG1-NE 3.37Å; T333-R381 PolarHBondContact OG1-NH2 2.91Å; T333-I383 HydrophobicContact CG2-CD1 4.43Å; T333-I383 HydrophobicContact CG2-CG1 4.47Å
334A95.7Very high77.8Confident0 Ų057.3 Ų57.30%030%0.304CS..EExtended strand (participates in β ladder)trans-87.4121.2171.800000110V331 I336 T354 C379 R381 A382 I383V331-A334 HydrophobicContact CG2-CB 3.84Å; A334-I336 HydrophobicContact CB-CD1 4.35Å; A334-I336 HydrophobicContact CB-CG1 4.16Å; A334-T354 WeakPolarHBondContact CA-OG1 3.32Å; A334-C379 HydrophobicContact CB-CB 3.81Å; A334-R381 PolarHBondContact N-O 3.4Å; A334-A382 CarbonylContact O-C 3.55Å; A334-A382 VanDerWaalsContact O-CA 3.29Å; A334-A382 WeakPolarHBondContact O-CA 3.34Å; A334-I383 PolarHBondContact O-N 2.96Å
335I96.7Very high80.5Confident4 Ų454.5 Ų54.52%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-95.1110.6164.5-53.6-178.8000107A353 T354 H355 L385 L421 Y424I335-A353 HydrophobicContact CG2-CB 4.35Å; I335-T354 PolarHBondContact N-OG1 3.5Å; I335-T354 PolarHBondContact O-N 3.36Å; I335-T354 PolarHBondContact O-OG1 2.75Å; I335-H355 PolarHBondContact O-N 2.85Å; I335-L385 HydrophobicContact CG2-CD1 3.95Å; I335-L421 HydrophobicContact CD1-CD1 3.85Å; I335-L421 HydrophobicContact CG2-CD1 3.76Å; I335-Y424 HydrophobicContact CD1-CD1 3.56Å; I335-Y424 HydrophobicContact CD1-CD2 4.17Å; I335-Y424 HydrophobicContact CD1-CE1 3.57Å; I335-Y424 HydrophobicContact CD1-CE2 4.17Å; I335-Y424 HydrophobicContact CD1-CG 3.87Å
336I96.4Very high83Confident0 Ų054.6 Ų54.60%028%0.283CS..EExtended strand (participates in β ladder)trans-109.3118.6-177-58.3169.1000107.2A334 H355 I357 V373 I374 A382 I383 I384 L385A334-I336 HydrophobicContact CB-CD1 4.35Å; A334-I336 HydrophobicContact CB-CG1 4.16Å; I336-H355 WeakPolarHBondContact CA-O 3.15Å; I336-H355 HydrophobicContact CG1-CB 4.07Å; I336-I357 HydrophobicContact CG2-CD1 3.66Å; I336-I357 HydrophobicContact CG2-CG1 4.03Å; I336-V373 HydrophobicContact CD1-CG1 4.05Å; I336-V373 HydrophobicContact CG1-CG1 4.12Å; I336-V373 HydrophobicContact CG2-CG1 4.18Å; I336-I374 HydrophobicContact CD1-CB 4.2Å; I336-I374 HydrophobicContact CD1-CD1 4.27Å; I336-I374 HydrophobicContact CD1-CG1 3.21Å; I336-A382 HydrophobicContact CD1-CB 4.47Å; I336-I383 PolarHBondContact N-O 3.48Å; I336-I384 CarbonylContact O-C 3.59Å; I336-I384 WeakPolarHBondContact O-CA 3.42Å; I336-L385 PolarHBondContact O-N 3.1Å
337T95.5Very high85.4Confident0 Ų050.9 Ų50.90%026%0.257CS..EExtended strand (participates in β ladder)trans-119.3142.2177.4-175.80000109.5F348 A353 H355 I356 I357 N387T337-F348 HydrophobicContact CG2-CB 3.77Å; T337-F348 HydrophobicContact CG2-CD1 4.25Å; T337-F348 HydrophobicContact CG2-CD2 4.07Å; T337-F348 HydrophobicContact CG2-CG 3.79Å; T337-A353 HydrophobicContact CG2-CB 3.73Å; T337-H355 PolarHBondContact N-O 3.25Å; T337-I356 HydrophobicContact CG2-CD1 3.13Å; T337-I356 HydrophobicContact CG2-CG1 4.45Å; T337-I356 WeakPolarHBondContact O-CA 3.44Å; T337-I357 PolarHBondContact O-N 2.62Å; T337-N387 PolarHBondContact OG1-ND2 3.32Å
338I93.6Very high87.8Confident2 Ų241.4 Ų41.41%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-102.9123.4175-62.5127.2000107.8I357 P365 I370 I384 L385 N387 I391I338-I357 WeakPolarHBondContact CA-O 3.49Å; I338-I357 HydrophobicContact CG1-CB 3.93Å; I338-I357 HydrophobicContact CG1-CD1 4.39Å; I338-I357 HydrophobicContact CG1-CG2 4.4Å; I338-P365 HydrophobicContact CG1-CG 4.33Å; I338-P365 HydrophobicContact CG2-CG 4.07Å; I338-I370 HydrophobicContact CD1-CD1 4.35Å; I338-I384 HydrophobicContact CD1-CG2 4.12Å; I338-L385 PolarHBondContact N-O 3.45Å; I338-N387 WeakPolarHBondContact O-CB 3.42Å; I338-N387 PolarHBondContact O-ND2 2.73Å; I338-I391 HydrophobicContact CD1-CG2 3.74Å; I338-I391 HydrophobicContact CG1-CG2 4.46Å; I338-I391 HydrophobicContact CG2-CD1 3.57Å
339S90.4Very high89.5Confident2 Ų243.9 Ų43.91%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-145.8157.2-17857.10000111.6S345 I356 I357 G359S339-S345 PolarHBondContact OG-OG 2.89Å; S339-S345 VanDerWaalsContact OG-OG 3.07Å; S339-I356 VanDerWaalsContact OG-CG2 3.3Å; S339-I356 WeakPolarHBondContact OG-CG2 3.48Å; S339-I357 PolarHBondContact N-O 2.97Å; S339-G359 CarbonylContact C-O 3.5Å; S339-G359 PolarHBondContact O-N 3.43Å; S339-G359 VanDerWaalsContact O-N 3.12Å
340M83.8Confident91Very high27 Ų2742.3 Ų42.313%0.13323%0.228CC..  trans-121.2141.4170.273.8-170.797.200108.8I344 G359 Q361 Q538 P539M340-I344 WeakPolarHBondContact O-CD1 3.1Å; M340-G359 PolarHBondContact N-O 2.92Å; M340-Q361 HydrophobicContact CE-CG 3.95Å; M340-Q538 HydrophobicContact CG-CB 3.75Å; M340-Q538 HydrophobicContact SD-CB 4.39Å; M340-P539 HydrophobicContact SD-CG 4.16Å
341G86.4Confident91.7Very high20 Ų2040.2 Ų40.221%0.20621%0.212CC..SBendtrans92.7137.2-173.500000113.1S345 G536 G537G341-S345 WeakPolarHBondContact O-CB 3.43Å; G341-S345 PolarHBondContact O-N 2.84Å; G341-S345 PolarHBondContact O-OG 3.02Å; G341-G536 CarbonylContact C-O 3.54Å; G341-G536 WeakPolarHBondContact CA-O 3.25Å; G341-G537 VanDerWaalsContact CA-O 3.27Å; G341-G537 WeakPolarHBondContact CA-O 3.43Å
342E88.2Confident91.8Very high162 Ų16240.6 Ų40.676%0.75722%0.222SC*.Hα-helixtrans-65.7-43.2-178.7-67.2-172.2163.500111.3S345 E346E342-S345 CarbonylContact O-C 3.5Å; E342-S345 WeakPolarHBondContact O-CB 3.34Å; E342-S345 PolarHBondContact O-N 3.16Å; E342-S345 VanDerWaalsContact O-N 3.15Å; E342-E346 WeakPolarHBondContact O-CG 3.31Å; E342-E346 PolarHBondContact O-N 3.14Å
343G90.9Very high92Very high12 Ų1235.3 Ų35.312%0.12420%0.199CC..Hα-helixtrans-63.9-43.9-179.400000113.2S345 E346 I347 E535 G536G343-S345 VanDerWaalsContact C-N 3.27Å; G343-S345 PolarHBondContact O-N 3.31Å; G343-E346 WeakPolarHBondContact O-CB 3.5Å; G343-E346 PolarHBondContact O-N 3.35Å; G343-E346 VanDerWaalsContact O-N 3.13Å; G343-I347 WeakPolarHBondContact O-CG1 3.41Å; G343-I347 PolarHBondContact O-N 2.9Å; G343-E535 CarbonylContact C-O 3.48Å; G343-E535 VanDerWaalsContact CA-O 3.26Å; G343-E535 WeakPolarHBondContact CA-O 3.39Å; G343-G536 WeakPolarHBondContact CA-O 3.26Å; G343-G536 PolarHBondContact N-O 3.31Å
344I93.3Very high91.9Very high0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-60.2-41.4173.3-62.5-176.5000110.7M340 E346 I347 F348 I414 I505 G536 Q538 F544M340-I344 WeakPolarHBondContact O-CD1 3.1Å; I344-E346 VanDerWaalsContact C-N 3.3Å; I344-E346 PolarHBondContact O-N 3.29Å; I344-I347 PolarHBondContact O-N 3.29Å; I344-F348 HydrophobicContact CG2-CD2 3.77Å; I344-F348 HydrophobicContact CG2-CE2 3.58Å; I344-F348 VanDerWaalsContact O-CD2 3.3Å; I344-F348 WeakPolarHBondContact O-CD2 3.25Å; I344-F348 PolarHBondContact O-N 3.01Å; I344-F348 VanDerWaalsContact O-N 3.09Å; I344-I414 HydrophobicContact CD1-CG1 4.12Å; I344-I414 HydrophobicContact CD1-CG2 4.09Å; I344-I414 HydrophobicContact CG1-CG2 4.46Å; I344-I414 HydrophobicContact CG2-CD1 3.98Å; I344-I414 HydrophobicContact CG2-CG1 4.34Å; I344-I414 HydrophobicContact CG2-CG2 3.59Å; I344-I505 HydrophobicContact CD1-CG2 4.1Å; I344-I505 HydrophobicContact CG1-CG2 3.93Å; I344-G536 PolarHBondContact N-O 2.98Å; I344-Q538 HydrophobicContact CD1-CB 4.01Å; I344-Q538 HydrophobicContact CD1-CG 4.39Å; I344-F544 HydrophobicContact CD1-CD2 4.04Å; I344-F544 HydrophobicContact CD1-CE2 3.93Å
345S92.3Very high91.8Very high15 Ų1537.3 Ų37.311%0.10521%0.21CC..Hα-helixtrans-64.8-35.3178-55.80000112S339 G341 E342 G343 K349S339-S345 PolarHBondContact OG-OG 2.89Å; S339-S345 VanDerWaalsContact OG-OG 3.07Å; G341-S345 WeakPolarHBondContact O-CB 3.43Å; G341-S345 PolarHBondContact O-N 2.84Å; G341-S345 PolarHBondContact O-OG 3.02Å; E342-S345 CarbonylContact O-C 3.5Å; E342-S345 WeakPolarHBondContact O-CB 3.34Å; E342-S345 PolarHBondContact O-N 3.16Å; E342-S345 VanDerWaalsContact O-N 3.15Å; G343-S345 VanDerWaalsContact C-N 3.27Å; G343-S345 PolarHBondContact O-N 3.31Å; S345-K349 WeakPolarHBondContact O-CB 3.41Å; S345-K349 VanDerWaalsContact O-CG 3.25Å; S345-K349 WeakPolarHBondContact O-CG 3.34Å; S345-K349 PolarHBondContact O-N 2.91Å; S345-K349 VanDerWaalsContact O-N 3.1Å
346E91.9Very high91.6Very high130 Ų13039 Ų3961%0.60722%0.219SC*.Hα-helixtrans-68.9-42.2174.1-72.8-175166.100112.5E342 G343 I344 F348 K349 S350E342-E346 WeakPolarHBondContact O-CG 3.31Å; E342-E346 PolarHBondContact O-N 3.14Å; G343-E346 WeakPolarHBondContact O-CB 3.5Å; G343-E346 PolarHBondContact O-N 3.35Å; G343-E346 VanDerWaalsContact O-N 3.13Å; I344-E346 VanDerWaalsContact C-N 3.3Å; I344-E346 PolarHBondContact O-N 3.29Å; E346-F348 PolarHBondContact O-N 2.93Å; E346-K349 PolarHBondContact O-N 3.19Å; E346-S350 WeakPolarHBondContact O-CB 3.3Å; E346-S350 PolarHBondContact O-N 3.41Å
347I92.2Very high91.3Very high26 Ų2639.6 Ų39.613%0.13322%0.222CC..Hα-helixtrans-54.7-55.1174.2-67166.9000109.4G343 I344 K349 S350 M351 I418 H534G343-I347 WeakPolarHBondContact O-CG1 3.41Å; G343-I347 PolarHBondContact O-N 2.9Å; I344-I347 PolarHBondContact O-N 3.29Å; I347-K349 PolarHBondContact O-N 2.93Å; I347-S350 PolarHBondContact O-N 3.38Å; I347-S350 VanDerWaalsContact O-N 3.12Å; I347-S350 PolarHBondContact O-OG 3.09Å; I347-M351 HydrophobicContact CG2-SD 3.92Å; I347-M351 WeakPolarHBondContact O-CG 3.48Å; I347-M351 PolarHBondContact O-N 3.49Å; I347-M351 VanDerWaalsContact O-N 3.13Å; I347-I418 HydrophobicContact CG2-CD1 4.01Å; I347-I418 HydrophobicContact CG2-CG1 4.23Å; I347-H534 HydrophobicContact CD1-CB 3.84Å
348F94.4Very high90.7Very high0 Ų044.8 Ų44.80%026%0.258CS..Hα-helixtrans-60-43.3-179.7-81.1-61000113.2T337 I344 E346 S350 M351 G352 A353 I356 N387 I414 I418 L421T337-F348 HydrophobicContact CG2-CB 3.77Å; T337-F348 HydrophobicContact CG2-CD1 4.25Å; T337-F348 HydrophobicContact CG2-CD2 4.07Å; T337-F348 HydrophobicContact CG2-CG 3.79Å; I344-F348 HydrophobicContact CG2-CD2 3.77Å; I344-F348 HydrophobicContact CG2-CE2 3.58Å; I344-F348 VanDerWaalsContact O-CD2 3.3Å; I344-F348 WeakPolarHBondContact O-CD2 3.25Å; I344-F348 PolarHBondContact O-N 3.01Å; I344-F348 VanDerWaalsContact O-N 3.09Å; E346-F348 PolarHBondContact O-N 2.93Å; F348-S350 VanDerWaalsContact C-N 3.32Å; F348-S350 PolarHBondContact O-N 3.33Å; F348-M351 PolarHBondContact O-N 3.42Å; F348-G352 PolarHBondContact O-N 2.88Å; F348-A353 HydrophobicContact CB-CB 3.83Å; F348-A353 WeakPolarHBondContact O-CB 3.47Å; F348-A353 PolarHBondContact O-N 3Å; F348-I356 HydrophobicContact CB-CD1 4.04Å; F348-N387 VanDerWaalsContact CZ-ND2 3.35Å; F348-N387 WeakPolarHBondContact CZ-ND2 3.49Å; F348-I414 HydrophobicContact CE2-CD1 4.12Å; F348-I414 HydrophobicContact CE2-CG2 4.09Å; F348-I414 HydrophobicContact CZ-CG2 4.26Å; F348-I418 HydrophobicContact CE1-CG1 3.99Å; F348-I418 HydrophobicContact CZ-CG1 4Å; F348-L421 HydrophobicContact CD1-CD2 3.78Å
349K91.8Very high89.6Confident125 Ų12545 Ų4554%0.54326%0.261SS..Hα-helixtrans-60.3-42.4176-75.9173-171.9169.90111.5S345 E346 I347 M351 G352 I356S345-K349 WeakPolarHBondContact O-CB 3.41Å; S345-K349 VanDerWaalsContact O-CG 3.25Å; S345-K349 WeakPolarHBondContact O-CG 3.34Å; S345-K349 PolarHBondContact O-N 2.91Å; S345-K349 VanDerWaalsContact O-N 3.1Å; E346-K349 PolarHBondContact O-N 3.19Å; I347-K349 PolarHBondContact O-N 2.93Å; K349-M351 PolarHBondContact O-N 2.82Å; K349-G352 PolarHBondContact O-N 2.79Å; K349-G352 VanDerWaalsContact O-N 3.08Å; K349-I356 HydrophobicContact CD-CG1 4.32Å; K349-I356 VanDerWaalsContact CE-CG1 3.47Å; K349-I356 HydrophobicContact CG-CD1 4.03Å; K349-I356 HydrophobicContact CG-CG1 3.94Å
350S90.9Very high88.2Confident101 Ų10145.2 Ų45.271%0.70626%0.264SS*.Hα-helixtrans-63.3-28.7179.280.90000112.7E346 I347 F348 G352E346-S350 WeakPolarHBondContact O-CB 3.3Å; E346-S350 PolarHBondContact O-N 3.41Å; I347-S350 PolarHBondContact O-N 3.38Å; I347-S350 VanDerWaalsContact O-N 3.12Å; I347-S350 PolarHBondContact O-OG 3.09Å; F348-S350 VanDerWaalsContact C-N 3.32Å; F348-S350 PolarHBondContact O-N 3.33Å; S350-G352 VanDerWaalsContact C-N 3.34Å
351M90.4Very high86.8Confident58 Ų5845.3 Ų45.329%0.28626%0.264SS..THydrogen-bonded Turntrans-86.10.1176.8-63.6176.274.200114I347 F348 K349 I418 L421 F422I347-M351 HydrophobicContact CG2-SD 3.92Å; I347-M351 WeakPolarHBondContact O-CG 3.48Å; I347-M351 PolarHBondContact O-N 3.49Å; I347-M351 VanDerWaalsContact O-N 3.13Å; F348-M351 PolarHBondContact O-N 3.42Å; K349-M351 PolarHBondContact O-N 2.82Å; M351-I418 HydrophobicContact CE-CG2 3.85Å; M351-I418 VanDerWaalsContact CE-O 3.25Å; M351-I418 WeakPolarHBondContact CE-O 3.29Å; M351-I418 HydrophobicContact SD-CG2 3.88Å; M351-L421 HydrophobicContact CB-CD2 3.55Å; M351-L421 HydrophobicContact CB-CG 4.05Å; M351-L421 HydrophobicContact CE-CB 4.32Å; M351-F422 HydrophobicContact CE-CB 4.05Å; M351-F422 HydrophobicContact CE-CD2 4.31Å
352G89Confident85.5Confident39 Ų3947 Ų4740%0.40227%0.271SS..THydrogen-bonded Turntrans101.98.8176.300000115.4F348 K349 S350 T354F348-G352 PolarHBondContact O-N 2.88Å; K349-G352 PolarHBondContact O-N 2.79Å; K349-G352 VanDerWaalsContact O-N 3.08Å; S350-G352 VanDerWaalsContact C-N 3.34Å; G352-T354 PolarHBondContact O-N 2.92Å; G352-T354 VanDerWaalsContact O-N 3.17Å
353A93.3Very high84.7Confident6 Ų645.3 Ų45.35%0.0526%0.264CS..  trans-62119.8168.700000110.1I335 T337 F348 I356 L421I335-A353 HydrophobicContact CG2-CB 4.35Å; T337-A353 HydrophobicContact CG2-CB 3.73Å; F348-A353 HydrophobicContact CB-CB 3.83Å; F348-A353 WeakPolarHBondContact O-CB 3.47Å; F348-A353 PolarHBondContact O-N 3Å; A353-I356 HydrophobicContact CB-CD1 4.08Å; A353-L421 HydrophobicContact CB-CD2 4.09Å
354T93Very high84.2Confident45 Ų4544.8 Ų44.828%0.27626%0.258SS..  trans-81.2-31.6-173.859.70000112.8V331 A334 I335 G352V331-T354 HydrophobicContact CG1-CG2 4.04Å; V331-T354 HydrophobicContact CG2-CG2 4.34Å; A334-T354 WeakPolarHBondContact CA-OG1 3.32Å; I335-T354 PolarHBondContact N-OG1 3.5Å; I335-T354 PolarHBondContact O-N 3.36Å; I335-T354 PolarHBondContact O-OG1 2.75Å; G352-T354 PolarHBondContact O-N 2.92Å; G352-T354 VanDerWaalsContact O-N 3.17Å
355H93.9Very high83.9Confident9 Ų945 Ų454%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-137.9131.8-175.2-62.872.9000109.2E329 I335 I336 T337 V373 S377E329-H355 PolarHBondContact O-CE1 3.37Å; I335-H355 PolarHBondContact O-N 2.85Å; I336-H355 WeakPolarHBondContact CA-O 3.15Å; I336-H355 HydrophobicContact CG1-CB 4.07Å; T337-H355 PolarHBondContact N-O 3.25Å; H355-V373 HydrophobicContact CB-CG1 3.6Å; H355-S377 WeakPolarHBondContact CE1-CB 3.27Å; H355-S377 WeakPolarHBondContact NE2-CB 3.31Å
356I92Very high83.9Confident39 Ų3944.5 Ų44.520%0.226%0.256CS..EExtended strand (participates in β ladder)trans-109.6129.6174.2-50.8-55.8000108.1T337 S339 F348 K349 A353T337-I356 HydrophobicContact CG2-CD1 3.13Å; T337-I356 HydrophobicContact CG2-CG1 4.45Å; T337-I356 WeakPolarHBondContact O-CA 3.44Å; S339-I356 VanDerWaalsContact OG-CG2 3.3Å; S339-I356 WeakPolarHBondContact OG-CG2 3.48Å; F348-I356 HydrophobicContact CB-CD1 4.04Å; K349-I356 HydrophobicContact CD-CG1 4.32Å; K349-I356 VanDerWaalsContact CE-CG1 3.47Å; K349-I356 HydrophobicContact CG-CD1 4.03Å; K349-I356 HydrophobicContact CG-CG1 3.94Å; A353-I356 HydrophobicContact CB-CD1 4.08Å
357I90.8Very high83.8Confident14 Ų1438.3 Ų38.37%0.07223%0.227CC..EExtended strand (participates in β ladder)trans-102.3122.6165.3-61.2175.1000107.1I336 T337 I338 S339 G359 P365 I370 V373I336-I357 HydrophobicContact CG2-CD1 3.66Å; I336-I357 HydrophobicContact CG2-CG1 4.03Å; T337-I357 PolarHBondContact O-N 2.62Å; I338-I357 WeakPolarHBondContact CA-O 3.49Å; I338-I357 HydrophobicContact CG1-CB 3.93Å; I338-I357 HydrophobicContact CG1-CD1 4.39Å; I338-I357 HydrophobicContact CG1-CG2 4.4Å; S339-I357 PolarHBondContact N-O 2.97Å; I357-G359 PolarHBondContact O-N 3.38Å; I357-G359 VanDerWaalsContact O-N 3.13Å; I357-P365 HydrophobicContact CG2-CB 3.81Å; I357-P365 HydrophobicContact CG2-CG 4.21Å; I357-I370 HydrophobicContact CD1-CB 4.22Å; I357-I370 HydrophobicContact CD1-CG1 3.9Å; I357-I370 HydrophobicContact CD1-CG2 4.47Å; I357-V373 HydrophobicContact CD1-CB 4.01Å; I357-V373 HydrophobicContact CD1-CG1 4.4Å; I357-V373 HydrophobicContact CD1-CG2 3.82Å; I357-V373 HydrophobicContact CG1-CB 4.22Å; I357-V373 HydrophobicContact CG1-CG1 4.33Å; I357-V373 HydrophobicContact CG1-CG2 3.66Å
358S83.3Confident83.7Confident108 Ų10840.6 Ų40.676%0.75524%0.237SC*.EExtended strand (participates in β ladder)trans-64114.8168.7-62.20000108.5
359G69.5Low83.6Confident7 Ų743.1 Ų43.17%0.07225%0.251CS..  trans-161.5137.8-179.700000109.6S339 M340 I357 M363S339-G359 CarbonylContact C-O 3.5Å; S339-G359 PolarHBondContact O-N 3.43Å; S339-G359 VanDerWaalsContact O-N 3.12Å; M340-G359 PolarHBondContact N-O 2.92Å; I357-G359 PolarHBondContact O-N 3.38Å; I357-G359 VanDerWaalsContact O-N 3.13Å; G359-M363 WeakPolarHBondContact CA-O 3.27Å
360G61.7Low83.7Confident7 Ų737.1 Ų37.17%0.07223%0.225CC..  trans-150-170.5-174.700000113T362 M363 N364G360-T362 VanDerWaalsContact C-N 3.31Å; G360-T362 PolarHBondContact O-N 3.45Å; G360-M363 PolarHBondContact N-O 3.31Å; G360-M363 VanDerWaalsContact N-O 3.1Å; G360-M363 CarbonylContact O-C 3.57Å; G360-M363 PolarHBondContact O-N 2.68Å; G360-N364 PolarHBondContact O-N 3.45Å; G360-N364 PolarHBondContact O-OD1 3.3Å
361Q54.3Low83.9Confident29 Ų2932.8 Ų32.814%0.13619%0.194CC..SBendtrans-65-31.9-169.1-68-698.500113.7D38 D40 M340 N388 Y541D38-Q361 HydrophobicContact CB-CB 3.33Å; D38-Q361 HydrophobicContact CB-CG 4.33Å; D38-Q361 WeakPolarHBondContact OD2-CB 3.27Å; D38-Q361 PolarHBondContact OD2-OE1 3.08Å; D40-Q361 VanDerWaalsContact OD2-O 3.13Å; M340-Q361 HydrophobicContact CE-CG 3.95Å; Q361-N388 PolarHBondContact OE1-ND2 3.39Å; Q361-N388 PolarHBondContact OE1-OD1 3.26Å; Q361-Y541 HydrophobicContact CB-CE2 4.29Å; Q361-Y541 HydrophobicContact CG-CE2 3.53Å
362T59.4Low84Confident56 Ų5633.7 Ų33.734%0.34420%0.196SC..SBendtrans-100.1-15.9176.849.50000114.4D38 G360 I540D38-T362 HydrophobicContact CB-CG2 4.13Å; G360-T362 VanDerWaalsContact C-N 3.31Å; G360-T362 PolarHBondContact O-N 3.45Å; T362-I540 HydrophobicContact CG2-CD1 3.8Å
363M70Confident84.2Confident126 Ų12632.6 Ų32.662%0.62118%0.181SC*.SBendtrans-127.569.8-176.4-78.5-73.7-81.300108.7G359 G360G359-M363 WeakPolarHBondContact CA-O 3.27Å; G360-M363 PolarHBondContact N-O 3.31Å; G360-M363 VanDerWaalsContact N-O 3.1Å; G360-M363 CarbonylContact O-C 3.57Å; G360-M363 PolarHBondContact O-N 2.68Å
364N81Confident84.3Confident1 Ų132.4 Ų32.41%0.00518%0.18CC..PPolyproline II helixtrans-67.4128.4175.2-68.3-54.2000109.4D40 N44 R80 G360 I391D40-N364 PolarHBondContact OD2-ND2 3.12Å; N44-N364 PolarHBondContact ND2-ND2 2.93Å; R80-N364 WeakPolarHBondContact CD-O 3.23Å; G360-N364 PolarHBondContact O-N 3.45Å; G360-N364 PolarHBondContact O-OD1 3.3Å; N364-I391 HydrophobicContact CB-CG1 4.22Å; N364-I391 WeakPolarHBondContact OD1-CG1 3.35Å
365P88Confident84.4Confident5 Ų535.7 Ų35.73%0.03219%0.192CC..PPolyproline II helixtrans-64.2147.9175.428.9-32.1000109.7I338 I357 D369 I391I338-P365 HydrophobicContact CG1-CG 4.33Å; I338-P365 HydrophobicContact CG2-CG 4.07Å; I357-P365 HydrophobicContact CG2-CB 3.81Å; I357-P365 HydrophobicContact CG2-CG 4.21Å; P365-D369 HydrophobicContact CB-CB 4.08Å; P365-I391 HydrophobicContact CG-CD1 4.26Å; P365-I391 HydrophobicContact CG-CG2 3.71Å
366S90.6Very high84.3Confident3 Ų340.3 Ų40.32%0.02121%0.213CC..PPolyproline II helixtrans-75163173.766.60000111.4A79 E368 D369 I370A79-S366 CarbonylContact O-C 3.41Å; A79-S366 WeakPolarHBondContact O-CA 3.48Å; S366-E368 PolarHBondContact O-N 3.4Å; S366-E368 PolarHBondContact OG-N 3.49Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.42Å; S366-D369 PolarHBondContact O-N 3.02Å; S366-D369 VanDerWaalsContact O-N 3.15Å; S366-D369 PolarHBondContact OG-N 2.72Å; S366-D369 VanDerWaalsContact OG-N 3.14Å; S366-D369 PolarHBondContact OG-OD2 3.43Å; S366-I370 PolarHBondContact O-N 3.36Å
367T90.7Very high84.3Confident0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-52.6-41.2168-61.20000110.8L76 M77 A79 D369 I370 V371 Q397 A398 I401L76-T367 WeakPolarHBondContact O-CB 3.44Å; L76-T367 PolarHBondContact O-OG1 3.21Å; M77-T367 PolarHBondContact O-N 2.87Å; A79-T367 PolarHBondContact O-N 3.36Å; A79-T367 PolarHBondContact O-OG1 2.79Å; T367-D369 PolarHBondContact O-N 3.31Å; T367-I370 PolarHBondContact O-N 3.1Å; T367-V371 HydrophobicContact CG2-CG2 4.29Å; T367-V371 VanDerWaalsContact O-CG2 3.27Å; T367-V371 WeakPolarHBondContact O-CG2 3.45Å; T367-V371 PolarHBondContact O-N 3.18Å; T367-Q397 HydrophobicContact CG2-CB 4.26Å; T367-Q397 HydrophobicContact CG2-CG 3.92Å; T367-Q397 PolarHBondContact OG1-NE2 2.94Å; T367-A398 HydrophobicContact CG2-CB 4.08Å; T367-I401 HydrophobicContact CG2-CD1 3.63Å
368E90.8Very high84.3Confident75 Ų7545.6 Ų45.635%0.3523%0.234SC..Hα-helixtrans-62.7-40.1179-159.6-168.9-176.300112.7M77 S366 I370 V371 K372M77-E368 HydrophobicContact CB-CB 4.04Å; M77-E368 HydrophobicContact CB-CG 4.25Å; M77-E368 WeakPolarHBondContact O-CB 3.36Å; M77-E368 PolarHBondContact O-N 3Å; M77-E368 HydrophobicContact SD-CB 4.47Å; M77-E368 HydrophobicContact SD-CG 4.32Å; S366-E368 PolarHBondContact O-N 3.4Å; S366-E368 PolarHBondContact OG-N 3.49Å; E368-I370 VanDerWaalsContact C-N 3.29Å; E368-I370 PolarHBondContact O-N 2.88Å; E368-V371 PolarHBondContact O-N 2.86Å; E368-K372 HydrophobicContact CG-CD 4.13Å; E368-K372 HydrophobicContact CG-CG 4.41Å; E368-K372 WeakPolarHBondContact O-CB 3.29Å; E368-K372 VanDerWaalsContact O-CG 3.28Å; E368-K372 WeakPolarHBondContact O-CG 3.39Å; E368-K372 PolarHBondContact O-N 2.86Å; E368-K372 WeakPolarHBondContact OE1-CE 3.4Å; E368-K372 IonicContact OE1-NZ 3.33Å; E368-K372 PolarHBondContact OE1-NZ 2.91Å; E368-K372 IonicContact OE2-NZ 3.84Å; E368-K372 PolarHBondContact OE2-NZ 3.35Å
369D91.6Very high84.8Confident52 Ų5241.1 Ų41.128%0.27820%0.203SC..Hα-helixtrans-60.6-43.1178.6-62-43.7000110.6P365 S366 T367 V373P365-D369 HydrophobicContact CB-CB 4.08Å; S366-D369 WeakPolarHBondContact CB-OD2 3.42Å; S366-D369 PolarHBondContact N-OD2 3.42Å; S366-D369 PolarHBondContact O-N 3.02Å; S366-D369 VanDerWaalsContact O-N 3.15Å; S366-D369 PolarHBondContact OG-N 2.72Å; S366-D369 VanDerWaalsContact OG-N 3.14Å; S366-D369 PolarHBondContact OG-OD2 3.43Å; T367-D369 PolarHBondContact O-N 3.31Å; D369-V373 WeakPolarHBondContact O-CG2 3.34Å; D369-V373 PolarHBondContact O-N 3.48Å
370I94.7Very high86Confident0 Ų047.3 Ų47.30%023%0.228CC..Hα-helixtrans-67.7-46.4177.9-57.2171.2000110.9I338 I357 S366 T367 E368 K372 V373 I374 I384 I391 A394 A398I338-I370 HydrophobicContact CD1-CD1 4.35Å; I357-I370 HydrophobicContact CD1-CB 4.22Å; I357-I370 HydrophobicContact CD1-CG1 3.9Å; I357-I370 HydrophobicContact CD1-CG2 4.47Å; S366-I370 PolarHBondContact O-N 3.36Å; T367-I370 PolarHBondContact O-N 3.1Å; E368-I370 VanDerWaalsContact C-N 3.29Å; E368-I370 PolarHBondContact O-N 2.88Å; I370-K372 VanDerWaalsContact C-N 3.35Å; I370-K372 PolarHBondContact O-N 2.91Å; I370-V373 PolarHBondContact O-N 3.13Å; I370-I374 HydrophobicContact CG2-CD1 3.97Å; I370-I374 WeakPolarHBondContact O-CG1 3.1Å; I370-I374 PolarHBondContact O-N 3.44Å; I370-I374 VanDerWaalsContact O-N 3.08Å; I370-I384 HydrophobicContact CG2-CD1 3.96Å; I370-I384 HydrophobicContact CG2-CG2 4.48Å; I370-I391 HydrophobicContact CD1-CG2 4.31Å; I370-A394 HydrophobicContact CD1-CB 4.39Å; I370-A398 HydrophobicContact CB-CB 3.73Å; I370-A398 HydrophobicContact CG2-CB 3.54Å
371V94.3Very high87.7Confident9 Ų949.6 Ų49.66%0.05524%0.235CC..Hα-helixtrans-56.9-47.7176.3167.80000111.1T367 E368 V373 I374 E375 A398 I401 V402T367-V371 HydrophobicContact CG2-CG2 4.29Å; T367-V371 VanDerWaalsContact O-CG2 3.27Å; T367-V371 WeakPolarHBondContact O-CG2 3.45Å; T367-V371 PolarHBondContact O-N 3.18Å; E368-V371 PolarHBondContact O-N 2.86Å; V371-V373 VanDerWaalsContact C-N 3.32Å; V371-V373 PolarHBondContact O-N 2.95Å; V371-I374 PolarHBondContact O-N 3.28Å; V371-E375 HydrophobicContact CG1-CG 4.22Å; V371-E375 WeakPolarHBondContact O-CG 3.22Å; V371-E375 PolarHBondContact O-N 2.77Å; V371-A398 HydrophobicContact CG2-CB 3.91Å; V371-I401 HydrophobicContact CG2-CD1 3.9Å; V371-I401 HydrophobicContact CG2-CG1 3.85Å; V371-V402 HydrophobicContact CB-CG1 4.24Å; V371-V402 HydrophobicContact CG1-CG1 4.08Å; V371-V402 HydrophobicContact CG2-CG1 3.94Å
372K92.6Very high89.8Confident78 Ų7848.2 Ų48.234%0.33923%0.228SC..Hα-helixtrans-57.2-44.6179.6-80.2168.4178159.20111.5E368 I370 E375 Q376E368-K372 HydrophobicContact CG-CD 4.13Å; E368-K372 HydrophobicContact CG-CG 4.41Å; E368-K372 WeakPolarHBondContact O-CB 3.29Å; E368-K372 VanDerWaalsContact O-CG 3.28Å; E368-K372 WeakPolarHBondContact O-CG 3.39Å; E368-K372 PolarHBondContact O-N 2.86Å; E368-K372 WeakPolarHBondContact OE1-CE 3.4Å; E368-K372 IonicContact OE1-NZ 3.33Å; E368-K372 PolarHBondContact OE1-NZ 2.91Å; E368-K372 IonicContact OE2-NZ 3.84Å; E368-K372 PolarHBondContact OE2-NZ 3.35Å; I370-K372 VanDerWaalsContact C-N 3.35Å; I370-K372 PolarHBondContact O-N 2.91Å; K372-E375 PolarHBondContact O-N 3.15Å; K372-Q376 WeakPolarHBondContact O-CB 3.41Å; K372-Q376 WeakPolarHBondContact O-CG 3.07Å; K372-Q376 PolarHBondContact O-N 3.35Å
373V93.7Very high91.6Very high15 Ų1545.6 Ų45.69%0.09121%0.212CC..Hα-helixtrans-65.1-42.7178.2173.70000111.6M328 I336 H355 I357 D369 I370 V371 Q376 S377M328-V373 HydrophobicContact CE-CB 4.49Å; M328-V373 HydrophobicContact CE-CG1 4.2Å; M328-V373 HydrophobicContact CE-CG2 4.01Å; I336-V373 HydrophobicContact CD1-CG1 4.05Å; I336-V373 HydrophobicContact CG1-CG1 4.12Å; I336-V373 HydrophobicContact CG2-CG1 4.18Å; H355-V373 HydrophobicContact CB-CG1 3.6Å; I357-V373 HydrophobicContact CD1-CB 4.01Å; I357-V373 HydrophobicContact CD1-CG1 4.4Å; I357-V373 HydrophobicContact CD1-CG2 3.82Å; I357-V373 HydrophobicContact CG1-CB 4.22Å; I357-V373 HydrophobicContact CG1-CG1 4.33Å; I357-V373 HydrophobicContact CG1-CG2 3.66Å; D369-V373 WeakPolarHBondContact O-CG2 3.34Å; D369-V373 PolarHBondContact O-N 3.48Å; I370-V373 PolarHBondContact O-N 3.13Å; V371-V373 VanDerWaalsContact C-N 3.32Å; V371-V373 PolarHBondContact O-N 2.95Å; V373-Q376 PolarHBondContact O-N 3.44Å; V373-S377 WeakPolarHBondContact O-CB 3.32Å; V373-S377 PolarHBondContact O-N 3.34Å
374I95Very high92.9Very high2 Ų239.6 Ų39.61%0.0118%0.182CC..Hα-helixtrans-59.7-51.5176.2-64162.7000110.4I336 I370 V371 Q376 S377 A382 I384 V402 A404I336-I374 HydrophobicContact CD1-CB 4.2Å; I336-I374 HydrophobicContact CD1-CD1 4.27Å; I336-I374 HydrophobicContact CD1-CG1 3.21Å; I370-I374 HydrophobicContact CG2-CD1 3.97Å; I370-I374 WeakPolarHBondContact O-CG1 3.1Å; I370-I374 PolarHBondContact O-N 3.44Å; I370-I374 VanDerWaalsContact O-N 3.08Å; V371-I374 PolarHBondContact O-N 3.28Å; I374-Q376 PolarHBondContact O-N 2.9Å; I374-S377 PolarHBondContact O-N 3.07Å; I374-S377 PolarHBondContact O-OG 2.92Å; I374-A382 HydrophobicContact CG1-CB 4.32Å; I374-A382 HydrophobicContact CG2-CB 4.21Å; I374-I384 HydrophobicContact CD1-CD1 3.81Å; I374-V402 HydrophobicContact CB-CG1 4.08Å; I374-V402 HydrophobicContact CD1-CG1 3.79Å; I374-V402 HydrophobicContact CD1-CG2 4.23Å; I374-V402 HydrophobicContact CG2-CB 4.11Å; I374-V402 HydrophobicContact CG2-CG1 3.97Å; I374-V402 HydrophobicContact CG2-CG2 4.23Å; I374-A404 HydrophobicContact CG2-CB 3.99Å
375E94Very high93.7Very high114 Ų11439.5 Ų39.553%0.53318%0.182SC..Hα-helixtrans-64.9-40.5-177.9-69.8-179.1169.800112.5V371 K372 S377 K378V371-E375 HydrophobicContact CG1-CG 4.22Å; V371-E375 WeakPolarHBondContact O-CG 3.22Å; V371-E375 PolarHBondContact O-N 2.77Å; K372-E375 PolarHBondContact O-N 3.15Å; E375-S377 VanDerWaalsContact C-N 3.31Å; E375-S377 PolarHBondContact O-N 3.19Å; E375-K378 PolarHBondContact O-N 3.3Å; E375-K378 VanDerWaalsContact O-N 3.09Å
376Q91.6Very high94.1Very high106 Ų10639.3 Ų39.350%0.49518%0.18SC..Hα-helixtrans-67.4-31.6178.8-73.5173.315.200112.5M328 K372 V373 I374 K378M328-Q376 HydrophobicContact SD-CB 3.55Å; M328-Q376 VanDerWaalsContact SD-CB 3.55Å; M328-Q376 HydrophobicContact SD-CG 4.47Å; M328-Q376 PolarHBondContact SD-OE1 3.31Å; K372-Q376 WeakPolarHBondContact O-CB 3.41Å; K372-Q376 WeakPolarHBondContact O-CG 3.07Å; K372-Q376 PolarHBondContact O-N 3.35Å; V373-Q376 PolarHBondContact O-N 3.44Å; I374-Q376 PolarHBondContact O-N 2.9Å; Q376-K378 PolarHBondContact O-N 3.23Å
377S92.5Very high94.3Very high0 Ų039.5 Ų39.50%018%0.181CC..Hα-helixtrans-64.6-18.9173.480.60000112.9T330 H355 V373 I374 E375 C379T330-S377 WeakPolarHBondContact CA-O 3.49Å; H355-S377 WeakPolarHBondContact CE1-CB 3.27Å; H355-S377 WeakPolarHBondContact NE2-CB 3.31Å; V373-S377 WeakPolarHBondContact O-CB 3.32Å; V373-S377 PolarHBondContact O-N 3.34Å; I374-S377 PolarHBondContact O-N 3.07Å; I374-S377 PolarHBondContact O-OG 2.92Å; E375-S377 VanDerWaalsContact C-N 3.31Å; E375-S377 PolarHBondContact O-N 3.19Å; S377-C379 PolarHBondContact O-N 3.18Å; S377-C379 WeakPolarHBondContact OG-CB 3.25Å; S377-C379 PolarHBondContact OG-N 2.92Å; S377-C379 PolarHBondContact OG-SG 3.31Å
378K92Very high94.3Very high164 Ų16439.7 Ų39.771%0.71318%0.182SC*.THydrogen-bonded Turntrans49.530.4-174.6-60.1-179-179.9177.20112.9T330 E375 Q376T330-K378 HydrophobicContact CG2-CB 4.25Å; T330-K378 HydrophobicContact CG2-CD 4.11Å; T330-K378 HydrophobicContact CG2-CG 4.47Å; E375-K378 PolarHBondContact O-N 3.3Å; E375-K378 VanDerWaalsContact O-N 3.09Å; Q376-K378 PolarHBondContact O-N 3.23Å
379C93.7Very high94.2Very high15 Ų1538.6 Ų38.610%0.10118%0.176CC..  trans-72.3160.2-178.969.20000111.7V331 A334 S377 R381V331-C379 HydrophobicContact CG2-CB 4.48Å; V331-C379 WeakPolarHBondContact O-CA 3.45Å; V331-C379 WeakPolarHBondContact O-CB 3.29Å; A334-C379 HydrophobicContact CB-CB 3.81Å; S377-C379 PolarHBondContact O-N 3.18Å; S377-C379 WeakPolarHBondContact OG-CB 3.25Å; S377-C379 PolarHBondContact OG-N 2.92Å; S377-C379 PolarHBondContact OG-SG 3.31Å; C379-R381 VanDerWaalsContact CB-O 3.31Å; C379-R381 WeakPolarHBondContact CB-O 3.26Å; C379-R381 PolarHBondContact SG-O 3.03Å
380K94.7Very high94.1Very high136 Ų13637.4 Ų37.459%0.59117%0.17SC*.SBendtrans-86.9-33.9166.1-63.6-179.3-168.1158.30110.9E332 E405E332-K380 HydrophobicContact CG-CD 4.38Å; E332-K380 PolarHBondContact O-N 2.96Å; E332-K380 IonicContact OE1-NZ 2.8Å; E332-K380 PolarHBondContact OE1-NZ 3.47Å; K380-E405 PolarHBondContact O-N 2.8Å
381R96.3Very high94Very high56 Ų5637.4 Ų37.421%0.21117%0.17CC..EExtended strand (participates in β ladder)trans-126.4143.7-176.3-59.9-178.2-66175.8-1.1110.4E332 T333 A334 C379 E405 A428 L430E332-R381 PolarHBondContact O-N 3.19Å; E332-R381 VanDerWaalsContact O-N 3.16Å; T333-R381 CarbonylContact C-O 3.56Å; T333-R381 VanDerWaalsContact CA-O 3.29Å; T333-R381 WeakPolarHBondContact CA-O 3.42Å; T333-R381 HydrophobicContact CG2-CB 4.08Å; T333-R381 PolarHBondContact OG1-NE 3.37Å; T333-R381 PolarHBondContact OG1-NH2 2.91Å; A334-R381 PolarHBondContact N-O 3.4Å; C379-R381 VanDerWaalsContact CB-O 3.31Å; C379-R381 WeakPolarHBondContact CB-O 3.26Å; C379-R381 PolarHBondContact SG-O 3.03Å; R381-E405 CarbonylContact C-O 3.56Å; R381-E405 WeakPolarHBondContact CA-O 3.47Å; R381-E405 HydrophobicContact CG-CB 4.43Å; R381-A428 PolarHBondContact NH1-O 3.25Å; R381-L430 HydrophobicContact CB-CD1 4.34Å
382A97.7Very high94Very high0 Ų038.4 Ų38.40%018%0.175CC..EExtended strand (participates in β ladder)trans-132.9135.2174.600000111.4A334 I336 I374 E405 A406 V407A334-A382 CarbonylContact O-C 3.55Å; A334-A382 VanDerWaalsContact O-CA 3.29Å; A334-A382 WeakPolarHBondContact O-CA 3.34Å; I336-A382 HydrophobicContact CD1-CB 4.47Å; I374-A382 HydrophobicContact CG1-CB 4.32Å; I374-A382 HydrophobicContact CG2-CB 4.21Å; A382-E405 PolarHBondContact N-O 3.5Å; A382-A406 HydrophobicContact CB-CB 4.06Å; A382-A406 CarbonylContact O-C 3.56Å; A382-A406 WeakPolarHBondContact O-CA 3.48Å; A382-V407 PolarHBondContact O-N 3.01Å
383I98.3Very high94Very high0 Ų035.9 Ų35.90%017%0.165CC..EExtended strand (participates in β ladder)trans-114.9122.5169.4-60.5176.5000107T333 A334 I336 V407 I409 Y424 L430 N433 M437T333-I383 HydrophobicContact CG2-CD1 4.43Å; T333-I383 HydrophobicContact CG2-CG1 4.47Å; A334-I383 PolarHBondContact O-N 2.96Å; I336-I383 PolarHBondContact N-O 3.48Å; I383-V407 WeakPolarHBondContact CA-O 3.28Å; I383-V407 HydrophobicContact CG1-CG2 4Å; I383-I409 HydrophobicContact CG2-CD1 4.02Å; I383-I409 HydrophobicContact CG2-CG1 3.63Å; I383-Y424 HydrophobicContact CD1-CD2 3.74Å; I383-Y424 HydrophobicContact CD1-CE2 3.59Å; I383-L430 HydrophobicContact CD1-CD1 3.96Å; I383-L430 HydrophobicContact CG1-CD1 3.41Å; I383-L430 VanDerWaalsContact CG1-CD1 3.41Å; I383-N433 HydrophobicContact CD1-CB 4.11Å; I383-M437 HydrophobicContact CD1-SD 4.19Å; I383-M437 HydrophobicContact CG2-CE 4.14Å; I383-M437 HydrophobicContact CG2-SD 4.12Å
384I98.1Very high94Very high0 Ų035.2 Ų35.20%016%0.16CC..EExtended strand (participates in β ladder)trans-108.6127.7-178.7-49.4169000109I336 I338 I370 I374 A399 V407 V408 I409I336-I384 CarbonylContact O-C 3.59Å; I336-I384 WeakPolarHBondContact O-CA 3.42Å; I338-I384 HydrophobicContact CD1-CG2 4.12Å; I370-I384 HydrophobicContact CG2-CD1 3.96Å; I370-I384 HydrophobicContact CG2-CG2 4.48Å; I374-I384 HydrophobicContact CD1-CD1 3.81Å; I384-A399 HydrophobicContact CD1-CB 4.12Å; I384-V407 PolarHBondContact N-O 2.99Å; I384-V408 HydrophobicContact CB-CG2 4.29Å; I384-V408 HydrophobicContact CD1-CG2 4.18Å; I384-I409 PolarHBondContact O-N 2.91Å
385L97.4Very high94Very high0 Ų035.1 Ų35.10%016%0.16CC..EExtended strand (participates in β ladder)trans-111.896.9175.9-68.5154.8000108.4I335 I336 I338 N387 I409 T411 A420 L421 M437I335-L385 HydrophobicContact CG2-CD1 3.95Å; I336-L385 PolarHBondContact O-N 3.1Å; I338-L385 PolarHBondContact N-O 3.45Å; L385-N387 VanDerWaalsContact C-N 3.35Å; L385-N387 PolarHBondContact O-N 3.17Å; L385-N387 PolarHBondContact O-ND2 3.41Å; L385-I409 HydrophobicContact CD2-CB 3.94Å; L385-I409 HydrophobicContact CD2-CG1 4.1Å; L385-I409 HydrophobicContact CD2-CG2 4.34Å; L385-T411 HydrophobicContact CD2-CG2 3.77Å; L385-A420 HydrophobicContact CD2-CB 3.83Å; L385-L421 HydrophobicContact CD1-CB 4.32Å; L385-L421 HydrophobicContact CD1-CD1 4.37Å; L385-M437 HydrophobicContact CD2-CE 4.16Å
386P95.2Very high94.1Very high0 Ų033 Ų330%015%0.15CC..  trans-67.1-34.2-175.9-20.633.7000113.6N388 I391 L392 V408 I409 T411P386-N388 PolarHBondContact O-N 2.68Å; P386-I391 HydrophobicContact CB-CB 4.2Å; P386-I391 HydrophobicContact CB-CG2 4.43Å; P386-L392 HydrophobicContact CG-CD1 4.02Å; P386-V408 HydrophobicContact CG-CG1 3.55Å; P386-I409 WeakPolarHBondContact CD-O 3.5Å; P386-T411 WeakPolarHBondContact CD-OG1 3.39Å
387N94.6Very high94.2Very high7 Ų728.6 Ų28.64%0.03713%0.13CC..  trans50.916.6-179.1-49.7-34.3000115.1T337 I338 F348 L385 T411 K412 S413 I414 G417T337-N387 PolarHBondContact OG1-ND2 3.32Å; I338-N387 WeakPolarHBondContact O-CB 3.42Å; I338-N387 PolarHBondContact O-ND2 2.73Å; F348-N387 VanDerWaalsContact CZ-ND2 3.35Å; F348-N387 WeakPolarHBondContact CZ-ND2 3.49Å; L385-N387 VanDerWaalsContact C-N 3.35Å; L385-N387 PolarHBondContact O-N 3.17Å; L385-N387 PolarHBondContact O-ND2 3.41Å; N387-T411 PolarHBondContact N-O 3.17Å; N387-T411 PolarHBondContact N-OG1 3.16Å; N387-T411 WeakPolarHBondContact OD1-CB 3.35Å; N387-T411 PolarHBondContact OD1-OG1 3.06Å; N387-K412 VanDerWaalsContact C-C 3.48Å; N387-K412 CarbonylContact C-O 3.58Å; N387-K412 CarbonylContact O-C 3.5Å; N387-S413 CarbonylContact O-C 3.48Å; N387-S413 VanDerWaalsContact O-CA 3.27Å; N387-S413 WeakPolarHBondContact O-CA 3.49Å; N387-S413 PolarHBondContact O-N 3.43Å; N387-I414 HydrophobicContact CB-CD1 3.61Å; N387-G417 WeakPolarHBondContact OD1-CA 3.26Å
388N91.7Very high94.3Very high4 Ų428.6 Ų28.62%0.02113%0.13CC..SBendtrans-156.8126.2179.7-176-33.6000107.7Q361 P386 N390 I391 L392 K412Q361-N388 PolarHBondContact OE1-ND2 3.39Å; Q361-N388 PolarHBondContact OE1-OD1 3.26Å; P386-N388 PolarHBondContact O-N 2.68Å; N388-N390 PolarHBondContact O-N 2.98Å; N388-N390 VanDerWaalsContact O-N 3.15Å; N388-N390 WeakPolarHBondContact OD1-CB 3.45Å; N388-N390 PolarHBondContact OD1-N 2.88Å; N388-I391 HydrophobicContact CB-CB 4.33Å; N388-I391 HydrophobicContact CB-CD1 3.56Å; N388-I391 HydrophobicContact CB-CG1 3.79Å; N388-I391 PolarHBondContact O-N 3.44Å; N388-L392 PolarHBondContact O-N 3.32Å; N388-K412 VanDerWaalsContact CA-O 3.3Å; N388-K412 WeakPolarHBondContact CA-O 3.36Å
389K89.1Confident94.5Very high52 Ų5221.6 Ų21.623%0.22610%0.102CC..THydrogen-bonded Turntrans-55.6-30.617970.9-171.8-178-170.50114I391 K412 D474K389-I391 VanDerWaalsContact C-N 3.3Å; K389-K412 HydrophobicContact CB-CB 4.29Å; K389-K412 HydrophobicContact CB-CG 4.26Å; K389-D474 VanDerWaalsContact CD-OD2 3.27Å; K389-D474 WeakPolarHBondContact CD-OD2 3.41Å; K389-D474 IonicContact NZ-OD1 3.95Å; K389-D474 PolarHBondContact NZ-OD1 2.87Å; K389-D474 IonicContact NZ-OD2 2.67Å; K389-D474 PolarHBondContact NZ-OD2 2.88Å
390N89.6Confident94.5Very high27 Ų2725.2 Ų25.214%0.14413%0.128CC..THydrogen-bonded Turntrans-79.3-12.9-179-67.7-31.2000112.9G81 N82 N388G81-N390 CarbonylContact C-O 3.5Å; G81-N390 VanDerWaalsContact CA-O 3.25Å; G81-N390 WeakPolarHBondContact CA-O 3.36Å; N82-N390 PolarHBondContact ND2-OD1 3.3Å; N388-N390 PolarHBondContact O-N 2.98Å; N388-N390 VanDerWaalsContact O-N 3.15Å; N388-N390 WeakPolarHBondContact OD1-CB 3.45Å; N388-N390 PolarHBondContact OD1-N 2.88Å
391I92.9Very high94.4Very high1 Ų121.5 Ų21.51%0.00511%0.114CC..THydrogen-bonded Turntrans-101.9-14.4-179.2-49.9174.4000111.2I338 N364 P365 I370 P386 N388 K389 M393 A394 S395I338-I391 HydrophobicContact CD1-CG2 3.74Å; I338-I391 HydrophobicContact CG1-CG2 4.46Å; I338-I391 HydrophobicContact CG2-CD1 3.57Å; N364-I391 HydrophobicContact CB-CG1 4.22Å; N364-I391 WeakPolarHBondContact OD1-CG1 3.35Å; P365-I391 HydrophobicContact CG-CD1 4.26Å; P365-I391 HydrophobicContact CG-CG2 3.71Å; I370-I391 HydrophobicContact CD1-CG2 4.31Å; P386-I391 HydrophobicContact CB-CB 4.2Å; P386-I391 HydrophobicContact CB-CG2 4.43Å; N388-I391 HydrophobicContact CB-CB 4.33Å; N388-I391 HydrophobicContact CB-CD1 3.56Å; N388-I391 HydrophobicContact CB-CG1 3.79Å; N388-I391 PolarHBondContact O-N 3.44Å; K389-I391 VanDerWaalsContact C-N 3.3Å; I391-M393 PolarHBondContact O-N 2.85Å; I391-A394 PolarHBondContact O-N 2.98Å; I391-S395 WeakPolarHBondContact O-CB 3.11Å; I391-S395 PolarHBondContact O-N 3Å; I391-S395 PolarHBondContact O-OG 3.15Å
392L93Very high94.4Very high30 Ų3019.6 Ų19.616%0.15711%0.108CC..Hα-helixtrans-54.1-52.5179.9-179.661.9000112P386 N388 A394 S395 E396 V408 P410P386-L392 HydrophobicContact CG-CD1 4.02Å; N388-L392 PolarHBondContact O-N 3.32Å; L392-A394 PolarHBondContact O-N 3.26Å; L392-S395 WeakPolarHBondContact O-CB 3.38Å; L392-S395 PolarHBondContact O-N 3.36Å; L392-S395 VanDerWaalsContact O-N 3.16Å; L392-E396 HydrophobicContact CD1-CG 4.41Å; L392-E396 WeakPolarHBondContact O-CG 3.27Å; L392-E396 PolarHBondContact O-N 3.37Å; L392-V408 HydrophobicContact CD1-CG1 3.75Å; L392-P410 HydrophobicContact CD1-CB 4.2Å
393M92.8Very high94.2Very high25 Ų2527.7 Ų27.712%0.12315%0.151CC..Hα-helixtrans-64.4-39.6-178.2-69-172.369.200112.6N82 V85 I86 V124 I391 S395 E396 Q397N82-M393 HydrophobicContact CB-SD 4.07Å; N82-M393 WeakPolarHBondContact OD1-CG 3.3Å; N82-M393 PolarHBondContact OD1-SD 3.32Å; N82-M393 VanDerWaalsContact OD1-SD 3.33Å; V85-M393 HydrophobicContact CB-CB 4.08Å; V85-M393 HydrophobicContact CB-CE 4.19Å; V85-M393 HydrophobicContact CG1-CB 3.99Å; V85-M393 HydrophobicContact CG1-CE 3.79Å; V85-M393 HydrophobicContact CG2-CB 4.06Å; I86-M393 HydrophobicContact CG1-CE 3.92Å; V124-M393 HydrophobicContact CG2-CE 3.86Å; I391-M393 PolarHBondContact O-N 2.85Å; M393-S395 VanDerWaalsContact C-N 3.29Å; M393-S395 PolarHBondContact O-N 3.31Å; M393-E396 PolarHBondContact O-N 3.46Å; M393-Q397 VanDerWaalsContact O-CB 3.31Å; M393-Q397 WeakPolarHBondContact O-CB 3.27Å; M393-Q397 PolarHBondContact O-N 2.75Å
394A92.9Very high94.1Very high0 Ų028.6 Ų28.60%016%0.159CC..Hα-helixtrans-65.5-36.6175.900000111.2V85 I370 I391 L392 Q397 A398V85-A394 HydrophobicContact CG2-CB 4.12Å; I370-A394 HydrophobicContact CD1-CB 4.39Å; I391-A394 PolarHBondContact O-N 2.98Å; L392-A394 PolarHBondContact O-N 3.26Å; A394-Q397 PolarHBondContact O-N 2.72Å; A394-A398 WeakPolarHBondContact O-CB 3.49Å; A394-A398 PolarHBondContact O-N 3.5Å
395S96.3Very high94Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-67.1-44.8175.4-56.60000112.1I391 L392 M393 Q397 A398 A399 V408I391-S395 WeakPolarHBondContact O-CB 3.11Å; I391-S395 PolarHBondContact O-N 3Å; I391-S395 PolarHBondContact O-OG 3.15Å; L392-S395 WeakPolarHBondContact O-CB 3.38Å; L392-S395 PolarHBondContact O-N 3.36Å; L392-S395 VanDerWaalsContact O-N 3.16Å; M393-S395 VanDerWaalsContact C-N 3.29Å; M393-S395 PolarHBondContact O-N 3.31Å; S395-Q397 VanDerWaalsContact C-N 3.29Å; S395-Q397 PolarHBondContact O-N 3.08Å; S395-A398 PolarHBondContact O-N 2.77Å; S395-A399 WeakPolarHBondContact O-CB 3.36Å; S395-A399 PolarHBondContact O-N 2.97Å; S395-V408 WeakPolarHBondContact O-CG2 3.3Å
396E95.4Very high94Very high71 Ų7134.7 Ų34.733%0.33219%0.192SC..Hα-helixtrans-62.1-40.7175.7-72.6177.7162.700111.1L392 M393 A399 S400 V408L392-E396 HydrophobicContact CD1-CG 4.41Å; L392-E396 WeakPolarHBondContact O-CG 3.27Å; L392-E396 PolarHBondContact O-N 3.37Å; M393-E396 PolarHBondContact O-N 3.46Å; E396-A399 PolarHBondContact O-N 3.18Å; E396-S400 WeakPolarHBondContact O-CB 3.48Å; E396-S400 PolarHBondContact O-N 2.78Å; E396-V408 HydrophobicContact CG-CB 4.32Å; E396-V408 HydrophobicContact CG-CG1 4.47Å; E396-V408 HydrophobicContact CG-CG2 4.2Å
397Q93.4Very high94.1Very high13 Ų1335.1 Ų35.16%0.06119%0.194CC..Hα-helixtrans-63.3-47.2175.6-172166.6-81.100111.6L76 S88 T367 M393 A394 S395 S400 I401L76-Q397 HydrophobicContact CD1-CG 3.72Å; L76-Q397 HydrophobicContact CG-CG 4.43Å; L76-Q397 PolarHBondContact O-NE2 2.63Å; S88-Q397 PolarHBondContact OG-OE1 3.19Å; T367-Q397 HydrophobicContact CG2-CB 4.26Å; T367-Q397 HydrophobicContact CG2-CG 3.92Å; T367-Q397 PolarHBondContact OG1-NE2 2.94Å; M393-Q397 VanDerWaalsContact O-CB 3.31Å; M393-Q397 WeakPolarHBondContact O-CB 3.27Å; M393-Q397 PolarHBondContact O-N 2.75Å; A394-Q397 PolarHBondContact O-N 2.72Å; S395-Q397 VanDerWaalsContact C-N 3.29Å; S395-Q397 PolarHBondContact O-N 3.08Å; Q397-S400 PolarHBondContact O-N 2.78Å; Q397-S400 VanDerWaalsContact O-N 3.15Å; Q397-S400 PolarHBondContact O-OG 3.13Å; Q397-I401 WeakPolarHBondContact O-CG1 3.35Å; Q397-I401 PolarHBondContact O-N 2.72Å
398A95.2Very high94.3Very high0 Ų035.5 Ų35.50%020%0.197CC..Hα-helixtrans-59.6-47.3176.300000111.5T367 I370 V371 A394 S395 S400 I401 V402T367-A398 HydrophobicContact CG2-CB 4.08Å; I370-A398 HydrophobicContact CB-CB 3.73Å; I370-A398 HydrophobicContact CG2-CB 3.54Å; V371-A398 HydrophobicContact CG2-CB 3.91Å; A394-A398 WeakPolarHBondContact O-CB 3.49Å; A394-A398 PolarHBondContact O-N 3.5Å; S395-A398 PolarHBondContact O-N 2.77Å; A398-S400 PolarHBondContact O-N 2.8Å; A398-I401 WeakPolarHBondContact O-CG1 3.45Å; A398-I401 PolarHBondContact O-N 3.15Å; A398-I401 VanDerWaalsContact O-N 3.14Å; A398-V402 WeakPolarHBondContact O-CG1 3.44Å; A398-V402 PolarHBondContact O-N 3.46Å
399A96.6Very high94.6Very high17 Ų1735.3 Ų35.314%0.1420%0.196CC..Hα-helixtrans-58.5-30.7176.700000112.9I384 S395 E396 A406 V408I384-A399 HydrophobicContact CD1-CB 4.12Å; S395-A399 WeakPolarHBondContact O-CB 3.36Å; S395-A399 PolarHBondContact O-N 2.97Å; E396-A399 PolarHBondContact O-N 3.18Å; A399-A406 HydrophobicContact CB-CB 3.79Å; A399-V408 HydrophobicContact CB-CG2 3.85Å
400S93.8Very high94.9Very high90 Ų9035.3 Ų35.363%0.62920%0.201SC*.Hα-helixtrans-79.2-13.3-179.4770000115.2E396 Q397 A398E396-S400 WeakPolarHBondContact O-CB 3.48Å; E396-S400 PolarHBondContact O-N 2.78Å; Q397-S400 PolarHBondContact O-N 2.78Å; Q397-S400 VanDerWaalsContact O-N 3.15Å; Q397-S400 PolarHBondContact O-OG 3.13Å; A398-S400 PolarHBondContact O-N 2.8Å
401I92.7Very high95.2Very high58 Ų5834 Ų3430%0.29719%0.194SC..Hα-helixtrans-120.6-8.3-172.267.6-172.8000114.6L76 M77 T367 V371 Q397 A398L76-I401 HydrophobicContact CD2-CD1 4.22Å; L76-I401 HydrophobicContact CD2-CG2 4.29Å; L76-I401 HydrophobicContact CG-CD1 4.43Å; M77-I401 HydrophobicContact CE-CD1 3.45Å; M77-I401 VanDerWaalsContact CE-CD1 3.45Å; M77-I401 HydrophobicContact CE-CG1 4.5Å; M77-I401 HydrophobicContact SD-CD1 4.38Å; T367-I401 HydrophobicContact CG2-CD1 3.63Å; V371-I401 HydrophobicContact CG2-CD1 3.9Å; V371-I401 HydrophobicContact CG2-CG1 3.85Å; Q397-I401 WeakPolarHBondContact O-CG1 3.35Å; Q397-I401 PolarHBondContact O-N 2.72Å; A398-I401 WeakPolarHBondContact O-CG1 3.45Å; A398-I401 PolarHBondContact O-N 3.15Å; A398-I401 VanDerWaalsContact O-N 3.14Å
402V95.3Very high95.2Very high17 Ų1739.1 Ų39.110%0.10322%0.216CC..SBendtrans-78.8154.9172.2-690000111.7V371 I374 A398 A406V371-V402 HydrophobicContact CB-CG1 4.24Å; V371-V402 HydrophobicContact CG1-CG1 4.08Å; V371-V402 HydrophobicContact CG2-CG1 3.94Å; I374-V402 HydrophobicContact CB-CG1 4.08Å; I374-V402 HydrophobicContact CD1-CG1 3.79Å; I374-V402 HydrophobicContact CD1-CG2 4.23Å; I374-V402 HydrophobicContact CG2-CB 4.11Å; I374-V402 HydrophobicContact CG2-CG1 3.97Å; I374-V402 HydrophobicContact CG2-CG2 4.23Å; A398-V402 WeakPolarHBondContact O-CG1 3.44Å; A398-V402 PolarHBondContact O-N 3.46Å; V402-A406 HydrophobicContact CG2-CB 3.75Å
403D93.9Very high95.2Very high169 Ų16938.5 Ų38.590%0.90421%0.214SC*.SBendtrans-76.4-24.6175.7-73.4-27.8000113.1
404A95.4Very high95.3Very high19 Ų1937.7 Ų37.716%0.15721%0.21CC..SBendtrans-72.3152.6178.200000111.5I374 A406I374-A404 HydrophobicContact CG2-CB 3.99Å; A404-A406 PolarHBondContact O-N 2.83Å
405E96.4Very high95.3Very high106 Ų10637.8 Ų37.850%0.49521%0.211SC..EExtended strand (participates in β ladder)trans-70.5103.7172.4-165.2-168.7167.300108.8K380 R381 A382 L430K380-E405 PolarHBondContact O-N 2.8Å; R381-E405 CarbonylContact C-O 3.56Å; R381-E405 WeakPolarHBondContact CA-O 3.47Å; R381-E405 HydrophobicContact CG-CB 4.43Å; A382-E405 PolarHBondContact N-O 3.5Å; E405-L430 HydrophobicContact CB-CD2 4.13Å; E405-L430 HydrophobicContact CG-CD2 3.62Å; E405-L430 WeakPolarHBondContact O-CD2 3.24Å
406A97.9Very high95.2Very high23 Ų2338.3 Ų38.319%0.1921%0.213CC..EExtended strand (participates in β ladder)trans-117.7134.9-171.900000112.3A382 A399 V402 A404A382-A406 HydrophobicContact CB-CB 4.06Å; A382-A406 CarbonylContact O-C 3.56Å; A382-A406 WeakPolarHBondContact O-CA 3.48Å; A399-A406 HydrophobicContact CB-CB 3.79Å; V402-A406 HydrophobicContact CG2-CB 3.75Å; A404-A406 PolarHBondContact O-N 2.83Å
407V97.8Very high95.2Very high8 Ų834.9 Ų34.95%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-124.3150.2170.4-64.60000110.8A382 I383 I384 L430 K434A382-V407 PolarHBondContact O-N 3.01Å; I383-V407 WeakPolarHBondContact CA-O 3.28Å; I383-V407 HydrophobicContact CG1-CG2 4Å; I384-V407 PolarHBondContact N-O 2.99Å; V407-L430 HydrophobicContact CB-CD2 4.29Å; V407-L430 HydrophobicContact CB-CG 4.2Å; V407-L430 HydrophobicContact CG1-CD2 3.62Å; V407-L430 HydrophobicContact CG1-CG 3.69Å; V407-L430 HydrophobicContact CG2-CD1 3.63Å; V407-L430 HydrophobicContact CG2-CD2 4.01Å; V407-L430 HydrophobicContact CG2-CG 3.54Å; V407-K434 HydrophobicContact CB-CB 4.45Å; V407-K434 HydrophobicContact CB-CD 4.03Å; V407-K434 HydrophobicContact CB-CG 4.38Å; V407-K434 HydrophobicContact CG1-CD 3.96Å; V407-K434 HydrophobicContact CG2-CB 4.28Å
408V97.7Very high95.2Very high16 Ų1635.9 Ų35.910%0.09720%0.203CC..EExtended strand (participates in β ladder)trans-109.5127.4173.5-174.20000108.3I384 P386 L392 S395 E396 A399I384-V408 HydrophobicContact CB-CG2 4.29Å; I384-V408 HydrophobicContact CD1-CG2 4.18Å; P386-V408 HydrophobicContact CG-CG1 3.55Å; L392-V408 HydrophobicContact CD1-CG1 3.75Å; S395-V408 WeakPolarHBondContact O-CG2 3.3Å; E396-V408 HydrophobicContact CG-CB 4.32Å; E396-V408 HydrophobicContact CG-CG1 4.47Å; E396-V408 HydrophobicContact CG-CG2 4.2Å; A399-V408 HydrophobicContact CB-CG2 3.85Å
409I97.7Very high95.1Very high0 Ų036.5 Ų36.50%021%0.207CC..  trans-86.5128.5167.6-46.5-52.5000106.5I383 I384 L385 P386 T411 A420 K434 M437 V441I383-I409 HydrophobicContact CG2-CD1 4.02Å; I383-I409 HydrophobicContact CG2-CG1 3.63Å; I384-I409 PolarHBondContact O-N 2.91Å; L385-I409 HydrophobicContact CD2-CB 3.94Å; L385-I409 HydrophobicContact CD2-CG1 4.1Å; L385-I409 HydrophobicContact CD2-CG2 4.34Å; P386-I409 WeakPolarHBondContact CD-O 3.5Å; I409-T411 HydrophobicContact CB-CG2 4.37Å; I409-T411 HydrophobicContact CG2-CG2 3.92Å; I409-T411 PolarHBondContact O-N 3.06Å; I409-A420 HydrophobicContact CG2-CB 4.13Å; I409-K434 HydrophobicContact CD1-CB 4.17Å; I409-K434 HydrophobicContact CD1-CG 4.09Å; I409-M437 HydrophobicContact CD1-CB 4Å; I409-M437 HydrophobicContact CD1-SD 4.06Å; I409-M437 HydrophobicContact CG1-CB 4.17Å; I409-M437 HydrophobicContact CG1-CE 4.09Å; I409-M437 HydrophobicContact CG1-SD 4.1Å; I409-M437 HydrophobicContact CG2-CB 3.97Å; I409-V441 HydrophobicContact CG2-CG2 4.37Å
410P95.4Very high95Very high51 Ų5135.7 Ų35.733%0.33120%0.2SC..  trans-7947.4-169.634-37.9000113.2L392 A438L392-P410 HydrophobicContact CD1-CB 4.2Å; P410-A438 HydrophobicContact CG-CB 4.38Å
411T95.9Very high95Very high0 Ų031.6 Ų31.60%017%0.172CC..  trans-70.8130.4177.660.80000110.1L385 P386 N387 I409 Q416 A420 V441L385-T411 HydrophobicContact CD2-CG2 3.77Å; P386-T411 WeakPolarHBondContact CD-OG1 3.39Å; N387-T411 PolarHBondContact N-O 3.17Å; N387-T411 PolarHBondContact N-OG1 3.16Å; N387-T411 WeakPolarHBondContact OD1-CB 3.35Å; N387-T411 PolarHBondContact OD1-OG1 3.06Å; I409-T411 HydrophobicContact CB-CG2 4.37Å; I409-T411 HydrophobicContact CG2-CG2 3.92Å; I409-T411 PolarHBondContact O-N 3.06Å; T411-Q416 HydrophobicContact CG2-CB 4.32Å; T411-A420 HydrophobicContact CG2-CB 3.81Å; T411-V441 HydrophobicContact CG2-CG2 3.73Å
412K92.9Very high95Very high109 Ų10936.7 Ų36.747%0.47419%0.192SC..  trans-110.8-11-177.1-60.3175.2-173.6169.60113.3N387 N388 K389N387-K412 VanDerWaalsContact C-C 3.48Å; N387-K412 CarbonylContact C-O 3.58Å; N387-K412 CarbonylContact O-C 3.5Å; N388-K412 VanDerWaalsContact CA-O 3.3Å; N388-K412 WeakPolarHBondContact CA-O 3.36Å; K389-K412 HydrophobicContact CB-CB 4.29Å; K389-K412 HydrophobicContact CB-CG 4.26Å
413S93.8Very high94.9Very high17 Ų1740 Ų4012%0.11921%0.206CC..SBendtrans-141.1164177.5730000111.2N387 Q416 G417 S446N387-S413 CarbonylContact O-C 3.48Å; N387-S413 VanDerWaalsContact O-CA 3.27Å; N387-S413 WeakPolarHBondContact O-CA 3.49Å; N387-S413 PolarHBondContact O-N 3.43Å; S413-Q416 PolarHBondContact O-N 2.94Å; S413-Q416 WeakPolarHBondContact OG-CG 3.25Å; S413-Q416 PolarHBondContact OG-N 3.33Å; S413-G417 PolarHBondContact O-N 3.39Å; S413-S446 WeakPolarHBondContact CB-OG 3.46Å; S413-S446 VanDerWaalsContact OG-CB 3.29Å; S413-S446 WeakPolarHBondContact OG-CB 3.5Å; S413-S446 PolarHBondContact OG-OG 3.27Å
414I94.1Very high94.9Very high8 Ų834.7 Ų34.74%0.04117%0.174CC..Hα-helixtrans-61.4-46.4176.1-59.6-63000111.9I344 F348 N387 Q416 G417 I418 I505 F544I344-I414 HydrophobicContact CD1-CG1 4.12Å; I344-I414 HydrophobicContact CD1-CG2 4.09Å; I344-I414 HydrophobicContact CG1-CG2 4.46Å; I344-I414 HydrophobicContact CG2-CD1 3.98Å; I344-I414 HydrophobicContact CG2-CG1 4.34Å; I344-I414 HydrophobicContact CG2-CG2 3.59Å; F348-I414 HydrophobicContact CE2-CD1 4.12Å; F348-I414 HydrophobicContact CE2-CG2 4.09Å; F348-I414 HydrophobicContact CZ-CG2 4.26Å; N387-I414 HydrophobicContact CB-CD1 3.61Å; I414-Q416 VanDerWaalsContact C-N 3.34Å; I414-Q416 PolarHBondContact O-N 2.82Å; I414-G417 WeakPolarHBondContact O-CA 3.36Å; I414-G417 PolarHBondContact O-N 2.99Å; I414-I418 HydrophobicContact CG2-CD1 3.96Å; I414-I418 HydrophobicContact CG2-CG1 4.4Å; I414-I418 PolarHBondContact O-N 3.44Å; I414-I505 HydrophobicContact CG2-CD1 4.16Å; I414-F544 HydrophobicContact CB-CD2 4.36Å; I414-F544 HydrophobicContact CG1-CD2 4.35Å; I414-F544 HydrophobicContact CG1-CE2 4.03Å
415P93.6Very high94.9Very high2 Ų237 Ų371%0.01318%0.184CC..Hα-helixtrans-53.2-45.9173.7-32.239.2000114.1G417 I418 S419 V444P415-G417 VanDerWaalsContact C-N 3.27Å; P415-G417 PolarHBondContact O-N 3.09Å; P415-I418 PolarHBondContact O-N 3.43Å; P415-S419 PolarHBondContact O-N 2.83Å; P415-V444 HydrophobicContact CB-CG1 3.84Å
416Q95.1Very high94.7Very high10 Ų1036.3 Ų36.35%0.04719%0.186CC..Hα-helixtrans-61.7-37.3175.7-71.4170.55.500111.7T411 S413 I414 A420 V441 E473T411-Q416 HydrophobicContact CG2-CB 4.32Å; S413-Q416 PolarHBondContact O-N 2.94Å; S413-Q416 WeakPolarHBondContact OG-CG 3.25Å; S413-Q416 PolarHBondContact OG-N 3.33Å; I414-Q416 VanDerWaalsContact C-N 3.34Å; I414-Q416 PolarHBondContact O-N 2.82Å; Q416-A420 WeakPolarHBondContact O-CB 2.81Å; Q416-A420 PolarHBondContact O-N 3.29Å; Q416-V441 HydrophobicContact CB-CG1 4.06Å; Q416-V441 HydrophobicContact CB-CG2 4.33Å; Q416-V441 HydrophobicContact CG-CG1 3.86Å; Q416-E473 PolarHBondContact NE2-OE1 3.31Å; Q416-E473 PolarHBondContact NE2-OE2 3.12Å
417G95.2Very high94.4Very high0 Ų042.4 Ų42.40%022%0.216CC..Hα-helixtrans-60.3-47173.700000113.7N387 S413 I414 P415 A420 L421N387-G417 WeakPolarHBondContact OD1-CA 3.26Å; S413-G417 PolarHBondContact O-N 3.39Å; I414-G417 WeakPolarHBondContact O-CA 3.36Å; I414-G417 PolarHBondContact O-N 2.99Å; P415-G417 VanDerWaalsContact C-N 3.27Å; P415-G417 PolarHBondContact O-N 3.09Å; G417-A420 PolarHBondContact O-N 3.04Å; G417-L421 WeakPolarHBondContact O-CB 3.27Å; G417-L421 PolarHBondContact O-N 2.91Å
418I93.3Very high94.3Very high33 Ų3342.4 Ų42.417%0.16922%0.217CC..Hα-helixtrans-62-51.3179.2-70170.4000109.7I347 F348 M351 I414 P415 A420 L421 F422 I505I347-I418 HydrophobicContact CG2-CD1 4.01Å; I347-I418 HydrophobicContact CG2-CG1 4.23Å; F348-I418 HydrophobicContact CE1-CG1 3.99Å; F348-I418 HydrophobicContact CZ-CG1 4Å; M351-I418 HydrophobicContact CE-CG2 3.85Å; M351-I418 VanDerWaalsContact CE-O 3.25Å; M351-I418 WeakPolarHBondContact CE-O 3.29Å; M351-I418 HydrophobicContact SD-CG2 3.88Å; I414-I418 HydrophobicContact CG2-CD1 3.96Å; I414-I418 HydrophobicContact CG2-CG1 4.4Å; I414-I418 PolarHBondContact O-N 3.44Å; P415-I418 PolarHBondContact O-N 3.43Å; I418-A420 PolarHBondContact O-N 2.78Å; I418-L421 PolarHBondContact O-N 3.16Å; I418-F422 PolarHBondContact O-N 2.67Å; I418-I505 HydrophobicContact CD1-CD1 3.82Å
419S92.3Very high94.1Very high13 Ų1345.2 Ų45.29%0.09123%0.234CC..Hα-helixtrans-64.1-38.6179.5-178.60000113P415 F422 S440 V444P415-S419 PolarHBondContact O-N 2.83Å; S419-F422 PolarHBondContact O-N 2.89Å; S419-S440 PolarHBondContact O-OG 3.03Å; S419-V444 WeakPolarHBondContact OG-CG2 3.48Å
420A94.9Very high94Very high0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-60.8-47172.600000111.7L385 I409 T411 Q416 G417 I418 F422 Q423 M437 S440 V441L385-A420 HydrophobicContact CD2-CB 3.83Å; I409-A420 HydrophobicContact CG2-CB 4.13Å; T411-A420 HydrophobicContact CG2-CB 3.81Å; Q416-A420 WeakPolarHBondContact O-CB 2.81Å; Q416-A420 PolarHBondContact O-N 3.29Å; G417-A420 PolarHBondContact O-N 3.04Å; I418-A420 PolarHBondContact O-N 2.78Å; A420-F422 VanDerWaalsContact C-N 3.28Å; A420-F422 PolarHBondContact O-N 3.49Å; A420-Q423 PolarHBondContact O-N 2.99Å; A420-Q423 VanDerWaalsContact O-N 3.15Å; A420-M437 HydrophobicContact CB-CB 4.26Å; A420-M437 HydrophobicContact CB-CE 4.38Å; A420-M437 VanDerWaalsContact O-CE 3.26Å; A420-M437 WeakPolarHBondContact O-CE 3.47Å; A420-M437 WeakPolarHBondContact O-CG 3.26Å; A420-S440 WeakPolarHBondContact CA-OG 3.44Å; A420-V441 HydrophobicContact CB-CG2 4.14Å
421L94.5Very high94Very high5 Ų548.1 Ų48.13%0.02624%0.243CC..Hα-helixtrans-64.4-33.2-179.3-175.556.2000112.6I335 F348 M351 A353 L385 G417 I418 Q423 Y424I335-L421 HydrophobicContact CD1-CD1 3.85Å; I335-L421 HydrophobicContact CG2-CD1 3.76Å; F348-L421 HydrophobicContact CD1-CD2 3.78Å; M351-L421 HydrophobicContact CB-CD2 3.55Å; M351-L421 HydrophobicContact CB-CG 4.05Å; M351-L421 HydrophobicContact CE-CB 4.32Å; A353-L421 HydrophobicContact CB-CD2 4.09Å; L385-L421 HydrophobicContact CD1-CB 4.32Å; L385-L421 HydrophobicContact CD1-CD1 4.37Å; G417-L421 WeakPolarHBondContact O-CB 3.27Å; G417-L421 PolarHBondContact O-N 2.91Å; I418-L421 PolarHBondContact O-N 3.16Å; L421-Q423 PolarHBondContact O-N 2.94Å; L421-Y424 VanDerWaalsContact O-CB 3.25Å; L421-Y424 WeakPolarHBondContact O-CB 3.39Å; L421-Y424 PolarHBondContact O-N 2.97Å; L421-Y424 VanDerWaalsContact O-N 3.08Å
422F92.3Very high94Very high165 Ų16553 Ų5372%0.72427%0.266SS*.Hα-helixtrans-62.3-26.1176.3-166.1-100.6000113.3M351 I418 S419 A420 Y424M351-F422 HydrophobicContact CE-CB 4.05Å; M351-F422 HydrophobicContact CE-CD2 4.31Å; I418-F422 PolarHBondContact O-N 2.67Å; S419-F422 PolarHBondContact O-N 2.89Å; A420-F422 VanDerWaalsContact C-N 3.28Å; A420-F422 PolarHBondContact O-N 3.49Å; F422-Y424 VanDerWaalsContact C-N 3.33Å
423Q93.2Very high94.2Very high87 Ų8748 Ų4841%0.40724%0.244SC..THydrogen-bonded Turntrans-86.31.7176.7-61.1-57-4400114A420 L421 D425 M437A420-Q423 PolarHBondContact O-N 2.99Å; A420-Q423 VanDerWaalsContact O-N 3.15Å; L421-Q423 PolarHBondContact O-N 2.94Å; Q423-D425 PolarHBondContact O-N 3.35Å; Q423-M437 HydrophobicContact CB-CG 4.34Å
424Y94.6Very high94.4Very high57 Ų5750.8 Ų50.822%0.22425%0.254CS..  trans-66.9123.8-179.4173.6-110.4000111.7I335 I383 L421 F422 V426 N433 M437I335-Y424 HydrophobicContact CD1-CD1 3.56Å; I335-Y424 HydrophobicContact CD1-CD2 4.17Å; I335-Y424 HydrophobicContact CD1-CE1 3.57Å; I335-Y424 HydrophobicContact CD1-CE2 4.17Å; I335-Y424 HydrophobicContact CD1-CG 3.87Å; I383-Y424 HydrophobicContact CD1-CD2 3.74Å; I383-Y424 HydrophobicContact CD1-CE2 3.59Å; L421-Y424 VanDerWaalsContact O-CB 3.25Å; L421-Y424 WeakPolarHBondContact O-CB 3.39Å; L421-Y424 PolarHBondContact O-N 2.97Å; L421-Y424 VanDerWaalsContact O-N 3.08Å; F422-Y424 VanDerWaalsContact C-N 3.33Å; Y424-V426 HydrophobicContact CE1-CB 4.24Å; Y424-N433 WeakPolarHBondContact CD2-OD1 3.2Å; Y424-M437 HydrophobicContact CD2-SD 4.39Å
425D93.8Very high94.5Very high68 Ų6853 Ų5336%0.36427%0.273SS..  trans-110116.8173.6-176.1-4.7000110.3Q423 D427 A428 N433Q423-D425 PolarHBondContact O-N 3.35Å; D425-D427 PolarHBondContact O-N 3.25Å; D425-D427 PolarHBondContact OD1-N 3.38Å; D425-A428 HydrophobicContact CB-CB 3.83Å; D425-A428 PolarHBondContact O-N 3.04Å; D425-N433 PolarHBondContact N-OD1 3.06Å; D425-N433 PolarHBondContact O-ND2 3.35Å; D425-N433 PolarHBondContact O-OD1 3.36Å
426V92.6Very high94.6Very high91 Ų9157.2 Ų57.255%0.55229%0.293SS*.THydrogen-bonded Turntrans-63-29.4-179.967.30000113.2Y424Y424-V426 HydrophobicContact CE1-CB 4.24Å
427D92.4Very high94.7Very high150 Ų15056.7 Ų56.780%0.80229%0.291SS*.THydrogen-bonded Turntrans-88.9-13-176.5-69.7-36.7000112.4D425D425-D427 PolarHBondContact O-N 3.25Å; D425-D427 PolarHBondContact OD1-N 3.38Å
428A94Very high94.7Very high9 Ų957.9 Ų57.97%0.07430%0.3CS..SBendtrans-79.5159.7179.200000113.2R381 D425 E432R381-A428 PolarHBondContact NH1-O 3.25Å; D425-A428 HydrophobicContact CB-CB 3.83Å; D425-A428 PolarHBondContact O-N 3.04Å; A428-E432 HydrophobicContact CB-CB 4.08Å
429T94.7Very high94.8Very high74 Ų7461.4 Ų61.445%0.45432%0.32SS..  trans-69.9166.1170.863.70000111.3E431 E432 N433T429-E431 VanDerWaalsContact C-N 3.33Å; T429-E431 PolarHBondContact O-N 3.43Å; T429-E432 WeakPolarHBondContact CB-OE2 3.48Å; T429-E432 WeakPolarHBondContact CG2-OE2 3.46Å; T429-E432 PolarHBondContact N-OE2 3.35Å; T429-E432 PolarHBondContact O-N 2.84Å; T429-E432 WeakPolarHBondContact OG1-CB 3.15Å; T429-E432 WeakPolarHBondContact OG1-CG 3.25Å; T429-E432 PolarHBondContact OG1-N 3.38Å; T429-E432 PolarHBondContact OG1-OE2 3.42Å; T429-N433 WeakPolarHBondContact O-CB 3.41Å; T429-N433 PolarHBondContact O-N 3.35Å; T429-N433 PolarHBondContact O-ND2 3.01Å; T429-N433 VanDerWaalsContact O-ND2 3.16Å
430L94.8Very high94.7Very high4 Ų461.1 Ų61.12%0.02132%0.318CS..Hα-helixtrans-65.6-38-179.3-164.564.9000112.2R381 I383 E405 V407 K434R381-L430 HydrophobicContact CB-CD1 4.34Å; I383-L430 HydrophobicContact CD1-CD1 3.96Å; I383-L430 HydrophobicContact CG1-CD1 3.41Å; I383-L430 VanDerWaalsContact CG1-CD1 3.41Å; E405-L430 HydrophobicContact CB-CD2 4.13Å; E405-L430 HydrophobicContact CG-CD2 3.62Å; E405-L430 WeakPolarHBondContact O-CD2 3.24Å; V407-L430 HydrophobicContact CB-CD2 4.29Å; V407-L430 HydrophobicContact CB-CG 4.2Å; V407-L430 HydrophobicContact CG1-CD2 3.62Å; V407-L430 HydrophobicContact CG1-CG 3.69Å; V407-L430 HydrophobicContact CG2-CD1 3.63Å; V407-L430 HydrophobicContact CG2-CD2 4.01Å; V407-L430 HydrophobicContact CG2-CG 3.54Å; L430-K434 VanDerWaalsContact O-CB 3.32Å; L430-K434 WeakPolarHBondContact O-CB 3.37Å; L430-K434 PolarHBondContact O-N 3.04Å
431E95.7Very high94.4Very high108 Ų10861.8 Ų61.851%0.50532%0.321SS..Hα-helixtrans-72.3-35.7177.2-69.5-61.2136.400112.9T429 K434 A435T429-E431 VanDerWaalsContact C-N 3.33Å; T429-E431 PolarHBondContact O-N 3.43Å; E431-K434 PolarHBondContact O-N 2.91Å; E431-A435 PolarHBondContact O-N 3.03Å
432E97Very high94Very high103 Ų10367.5 Ų67.548%0.48135%0.352SS..Hα-helixtrans-64.5-47.8173.2-75.5163.6155.400111A428 T429 K434 A435 Q436A428-E432 HydrophobicContact CB-CB 4.08Å; T429-E432 WeakPolarHBondContact CB-OE2 3.48Å; T429-E432 WeakPolarHBondContact CG2-OE2 3.46Å; T429-E432 PolarHBondContact N-OE2 3.35Å; T429-E432 PolarHBondContact O-N 2.84Å; T429-E432 WeakPolarHBondContact OG1-CB 3.15Å; T429-E432 WeakPolarHBondContact OG1-CG 3.25Å; T429-E432 PolarHBondContact OG1-N 3.38Å; T429-E432 PolarHBondContact OG1-OE2 3.42Å; E432-K434 VanDerWaalsContact C-N 3.32Å; E432-K434 PolarHBondContact O-N 3.4Å; E432-A435 PolarHBondContact O-N 3.29Å; E432-Q436 WeakPolarHBondContact O-CG 3.24Å; E432-Q436 PolarHBondContact O-N 2.97Å
433N97.3Very high93.8Very high3 Ų365.4 Ų65.42%0.01635%0.348CS..Hα-helixtrans-56.7-47.6172.6-88.2-60.8000111I383 Y424 D425 T429 A435 Q436 M437I383-N433 HydrophobicContact CD1-CB 4.11Å; Y424-N433 WeakPolarHBondContact CD2-OD1 3.2Å; D425-N433 PolarHBondContact N-OD1 3.06Å; D425-N433 PolarHBondContact O-ND2 3.35Å; D425-N433 PolarHBondContact O-OD1 3.36Å; T429-N433 WeakPolarHBondContact O-CB 3.41Å; T429-N433 PolarHBondContact O-N 3.35Å; T429-N433 PolarHBondContact O-ND2 3.01Å; T429-N433 VanDerWaalsContact O-ND2 3.16Å; N433-A435 VanDerWaalsContact C-N 3.31Å; N433-A435 PolarHBondContact O-N 2.94Å; N433-Q436 PolarHBondContact O-N 3.23Å; N433-M437 HydrophobicContact CB-SD 4.25Å; N433-M437 VanDerWaalsContact O-CB 3.22Å; N433-M437 WeakPolarHBondContact O-CB 3.47Å; N433-M437 WeakPolarHBondContact O-CG 3.29Å; N433-M437 PolarHBondContact O-N 2.96Å
434K97.1Very high93.6Very high77 Ų7761.7 Ų61.734%0.33533%0.332SS..Hα-helixtrans-55.9-45.7178.6-176.5-173.2-177.8178.50112.2V407 I409 L430 E431 E432 A438V407-K434 HydrophobicContact CB-CB 4.45Å; V407-K434 HydrophobicContact CB-CD 4.03Å; V407-K434 HydrophobicContact CB-CG 4.38Å; V407-K434 HydrophobicContact CG1-CD 3.96Å; V407-K434 HydrophobicContact CG2-CB 4.28Å; I409-K434 HydrophobicContact CD1-CB 4.17Å; I409-K434 HydrophobicContact CD1-CG 4.09Å; L430-K434 VanDerWaalsContact O-CB 3.32Å; L430-K434 WeakPolarHBondContact O-CB 3.37Å; L430-K434 PolarHBondContact O-N 3.04Å; E431-K434 PolarHBondContact O-N 2.91Å; E432-K434 VanDerWaalsContact C-N 3.32Å; E432-K434 PolarHBondContact O-N 3.4Å; K434-A438 WeakPolarHBondContact O-CB 3.38Å; K434-A438 PolarHBondContact O-N 3.39Å
435A96.5Very high93.6Very high53 Ų5362.5 Ų62.544%0.43834%0.336SS..Hα-helixtrans-64.9-50.7179.200000111.6E431 E432 N433 A438 D439E431-A435 PolarHBondContact O-N 3.03Å; E432-A435 PolarHBondContact O-N 3.29Å; N433-A435 VanDerWaalsContact C-N 3.31Å; N433-A435 PolarHBondContact O-N 2.94Å; A435-A438 PolarHBondContact O-N 2.85Å; A435-D439 WeakPolarHBondContact O-CB 3.27Å; A435-D439 PolarHBondContact O-N 3.02Å
436Q95.4Very high93.7Very high91 Ų9159.5 Ų59.543%0.42532%0.321SS..Hα-helixtrans-63.2-46.1-178.2-70.9175.1-21.900112.5E432 N433 D439 S440E432-Q436 WeakPolarHBondContact O-CG 3.24Å; E432-Q436 PolarHBondContact O-N 2.97Å; N433-Q436 PolarHBondContact O-N 3.23Å; Q436-D439 PolarHBondContact O-N 2.67Å; Q436-S440 PolarHBondContact O-N 3.36Å
437M97.2Very high93.8Very high0 Ų055.2 Ų55.20%030%0.295CS..Hα-helixtrans-68.7-34.6178.9-62175.379.300111.9I383 L385 I409 A420 Q423 Y424 N433 S440 V441I383-M437 HydrophobicContact CD1-SD 4.19Å; I383-M437 HydrophobicContact CG2-CE 4.14Å; I383-M437 HydrophobicContact CG2-SD 4.12Å; L385-M437 HydrophobicContact CD2-CE 4.16Å; I409-M437 HydrophobicContact CD1-CB 4Å; I409-M437 HydrophobicContact CD1-SD 4.06Å; I409-M437 HydrophobicContact CG1-CB 4.17Å; I409-M437 HydrophobicContact CG1-CE 4.09Å; I409-M437 HydrophobicContact CG1-SD 4.1Å; I409-M437 HydrophobicContact CG2-CB 3.97Å; A420-M437 HydrophobicContact CB-CB 4.26Å; A420-M437 HydrophobicContact CB-CE 4.38Å; A420-M437 VanDerWaalsContact O-CE 3.26Å; A420-M437 WeakPolarHBondContact O-CE 3.47Å; A420-M437 WeakPolarHBondContact O-CG 3.26Å; Q423-M437 HydrophobicContact CB-CG 4.34Å; Y424-M437 HydrophobicContact CD2-SD 4.39Å; N433-M437 HydrophobicContact CB-SD 4.25Å; N433-M437 VanDerWaalsContact O-CB 3.22Å; N433-M437 WeakPolarHBondContact O-CB 3.47Å; N433-M437 WeakPolarHBondContact O-CG 3.29Å; N433-M437 PolarHBondContact O-N 2.96Å; M437-S440 PolarHBondContact O-OG 3.21Å; M437-S440 VanDerWaalsContact O-OG 3.04Å; M437-V441 WeakPolarHBondContact O-CG2 3.41Å
438A95.5Very high94Very high24 Ų2448.7 Ų48.720%0.19826%0.261CS..Hα-helixtrans-73.2-30.317600000112.6P410 K434 A435 N442P410-A438 HydrophobicContact CG-CB 4.38Å; K434-A438 WeakPolarHBondContact O-CB 3.38Å; K434-A438 PolarHBondContact O-N 3.39Å; A435-A438 PolarHBondContact O-N 2.85Å; A438-N442 PolarHBondContact O-ND2 3.26Å
439D94.2Very high94.1Very high108 Ų10848.3 Ų48.358%0.57826%0.258SS*.Hα-helixtrans-68-40.4176.1-78.8-14.4000111.2A435 Q436 V441 N442A435-D439 WeakPolarHBondContact O-CB 3.27Å; A435-D439 PolarHBondContact O-N 3.02Å; Q436-D439 PolarHBondContact O-N 2.67Å; D439-V441 VanDerWaalsContact C-N 3.29Å; D439-V441 PolarHBondContact O-N 2.91Å; D439-N442 PolarHBondContact O-N 2.71Å; D439-N442 PolarHBondContact O-ND2 3.24Å
440S90.2Very high94.1Very high7 Ų744.8 Ų44.85%0.04924%0.236CC..Hα-helixtrans-66.6-27.6179.465.50000114.2S419 A420 Q436 M437 N442 N443S419-S440 PolarHBondContact O-OG 3.03Å; A420-S440 WeakPolarHBondContact CA-OG 3.44Å; Q436-S440 PolarHBondContact O-N 3.36Å; M437-S440 PolarHBondContact O-OG 3.21Å; M437-S440 VanDerWaalsContact O-OG 3.04Å; S440-N442 PolarHBondContact O-N 3.1Å; S440-N442 VanDerWaalsContact O-N 3.1Å; S440-N443 PolarHBondContact O-N 3.45Å
441V90.3Very high94Very high13 Ų1348.2 Ų48.28%0.07925%0.249CC..G310 helixtrans-54.4-31.1173.7171.50000112.1I409 T411 Q416 A420 M437 D439 N443I409-V441 HydrophobicContact CG2-CG2 4.37Å; T411-V441 HydrophobicContact CG2-CG2 3.73Å; Q416-V441 HydrophobicContact CB-CG1 4.06Å; Q416-V441 HydrophobicContact CB-CG2 4.33Å; Q416-V441 HydrophobicContact CG-CG1 3.86Å; A420-V441 HydrophobicContact CB-CG2 4.14Å; M437-V441 WeakPolarHBondContact O-CG2 3.41Å; D439-V441 VanDerWaalsContact C-N 3.29Å; D439-V441 PolarHBondContact O-N 2.91Å; V441-N443 VanDerWaalsContact C-N 3.32Å
442N86.4Confident93.9Very high126 Ų12643 Ų4367%0.67423%0.225SC*.G310 helixtrans-79.3-13.7-179.5-57.2-63.5000113.9A438 D439 S440A438-N442 PolarHBondContact O-ND2 3.26Å; D439-N442 PolarHBondContact O-N 2.71Å; D439-N442 PolarHBondContact O-ND2 3.24Å; S440-N442 PolarHBondContact O-N 3.1Å; S440-N442 VanDerWaalsContact O-N 3.1Å
443N86.9Confident93.5Very high120 Ų12041 Ų4164%0.64222%0.22SC*.G310 helixtrans-91.4-9.7-178.6-62-22.4000112.4S440 V441S440-N443 PolarHBondContact O-N 3.45Å; V441-N443 VanDerWaalsContact C-N 3.32Å
444V90.2Very high93Very high9 Ų943.5 Ų43.56%0.05523%0.229CC..  trans-99.7130178.7177.20000110.2P415 S419 S546 E548P415-V444 HydrophobicContact CB-CG1 3.84Å; S419-V444 WeakPolarHBondContact OG-CG2 3.48Å; V444-S546 VanDerWaalsContact CG1-OG 3.25Å; V444-S546 WeakPolarHBondContact CG1-OG 3.19Å; V444-E548 HydrophobicContact CG2-CG 4.21Å
445K93.6Very high92.7Very high74 Ų7445.5 Ų45.532%0.32224%0.243SC..EExtended strand (participates in β ladder)trans-95.8108.5166.8-169.5174.3-177.6-179.50109.4I472 E493 M494 V547K445-I472 HydrophobicContact CG-CG2 4.02Å; K445-E493 PolarHBondContact NZ-O 2.84Å; K445-M494 WeakPolarHBondContact CD-O 3.38Å; K445-M494 HydrophobicContact CG-CE 4.31Å; K445-M494 VanDerWaalsContact NZ-CA 3.32Å; K445-M494 PolarHBondContact NZ-O 2.96Å; K445-M494 VanDerWaalsContact O-CE 3.26Å; K445-M494 WeakPolarHBondContact O-CE 3.38Å; K445-V547 HydrophobicContact CB-CB 4.3Å; K445-V547 PolarHBondContact N-O 3.2Å; K445-V547 PolarHBondContact O-N 2.85Å
446S95.2Very high92.4Very high6 Ų644 Ų444%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-84.6131.2179.8-163.80000110.9S413 I472 E473S413-S446 WeakPolarHBondContact CB-OG 3.46Å; S413-S446 VanDerWaalsContact OG-CB 3.29Å; S413-S446 WeakPolarHBondContact OG-CB 3.5Å; S413-S446 PolarHBondContact OG-OG 3.27Å; S446-I472 WeakPolarHBondContact O-CA 3.34Å; S446-E473 WeakPolarHBondContact CA-OE1 3.49Å; S446-E473 WeakPolarHBondContact CB-OE1 3.5Å; S446-E473 PolarHBondContact N-OE1 2.91Å; S446-E473 PolarHBondContact O-N 3.43Å
447G96.4Very high92Very high1 Ų144.8 Ų44.81%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-118.8154.3171.400000111.7L471 M494 F544 F545G447-L471 CarbonylContact C-O 2.95Å; G447-L471 VanDerWaalsContact CA-O 3.25Å; G447-L471 WeakPolarHBondContact CA-O 3.47Å; G447-M494 VanDerWaalsContact CA-CE 3.44Å; G447-M494 WeakPolarHBondContact CA-SD 3.39Å; G447-F544 WeakPolarHBondContact O-CA 3.48Å; G447-F545 PolarHBondContact N-O 3.01Å; G447-F545 PolarHBondContact O-N 2.9Å
448S95.8Very high91.5Very high13 Ų1345 Ų459%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-148.9149.8170.765.40000112.2L471 L490 Y543S448-L471 PolarHBondContact N-O 2.84Å; S448-L471 PolarHBondContact O-N 2.83Å; S448-L490 WeakPolarHBondContact O-CD2 3.44Å; S448-Y543 WeakPolarHBondContact CA-O 3.46Å
449L95.6Very high90.9Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-114.1129.8170.9-170.179.5000109.5F468 M469 Q483 T486 V487 Y541 Q542 Y543 F545L449-F468 HydrophobicContact CD1-CB 4.42Å; L449-M469 WeakPolarHBondContact CA-O 3.29Å; L449-Q483 HydrophobicContact CD2-CG 3.5Å; L449-Q483 VanDerWaalsContact CD2-CG 3.5Å; L449-T486 HydrophobicContact CD1-CG2 3.43Å; L449-T486 VanDerWaalsContact CD1-CG2 3.43Å; L449-V487 HydrophobicContact CD1-CG2 4Å; L449-V487 HydrophobicContact CD2-CG2 3.57Å; L449-V487 HydrophobicContact CG-CG2 4.29Å; L449-Y541 CarbonylContact O-C 3.48Å; L449-Y541 VanDerWaalsContact O-CA 3.25Å; L449-Y541 WeakPolarHBondContact O-CA 3.43Å; L449-Q542 HydrophobicContact CD2-CB 4.18Å; L449-Q542 PolarHBondContact O-N 3.2Å; L449-Q542 PolarHBondContact O-OE1 3.08Å; L449-Y543 HydrophobicContact CB-CD2 4.23Å; L449-Y543 HydrophobicContact CD2-CD2 3.65Å; L449-Y543 HydrophobicContact CD2-CE2 4.03Å; L449-Y543 PolarHBondContact N-O 3.01Å; L449-F545 HydrophobicContact CB-CE2 4.42Å
450T94.3Very high90.4Very high0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-146.4-170.6175.2-168.40000110.1V36 F468 M469 L471 I540 Y541 Q542V36-T450 HydrophobicContact CG1-CG2 3.43Å; V36-T450 VanDerWaalsContact CG1-CG2 3.43Å; T450-F468 CarbonylContact O-C 3.59Å; T450-F468 VanDerWaalsContact O-CA 3.3Å; T450-F468 WeakPolarHBondContact O-CA 3.29Å; T450-M469 HydrophobicContact CG2-CE 4Å; T450-M469 PolarHBondContact N-O 3.07Å; T450-M469 VanDerWaalsContact N-O 3.08Å; T450-M469 PolarHBondContact O-N 2.97Å; T450-L471 HydrophobicContact CG2-CD1 3.57Å; T450-I540 PolarHBondContact OG1-O 3.26Å; T450-Y541 HydrophobicContact CG2-CD1 4.4Å; T450-Y541 HydrophobicContact CG2-CE1 4.12Å; T450-Q542 VanDerWaalsContact CA-OE1 3.29Å
451Y93.7Very high90.3Very high76 Ų7647.4 Ų47.430%0.29825%0.254SS..EExtended strand (participates in β ladder)trans-125.1153.4179.661.5-84.6000112P37 V453 A467 I540P37-Y451 HydrophobicContact CG-CD2 4.14Å; P37-Y451 HydrophobicContact CG-CE1 4.05Å; P37-Y451 HydrophobicContact CG-CE2 3.5Å; P37-Y451 VanDerWaalsContact CG-CZ 3.45Å; Y451-V453 HydrophobicContact CE2-CG1 4.28Å; Y451-A467 CarbonylContact C-O 3.51Å; Y451-A467 VanDerWaalsContact CA-O 3.26Å; Y451-A467 WeakPolarHBondContact CA-O 3.25Å; Y451-I540 HydrophobicContact CE1-CG2 4.47Å
452A93.2Very high90.3Very high0 Ų053.6 Ų53.60%028%0.282CS..  trans-86.5135-177.900000112P35 I463 K464 D466 A467 M469P35-A452 VanDerWaalsContact O-CA 3.31Å; P35-A452 WeakPolarHBondContact O-CA 3.26Å; A452-I463 HydrophobicContact CB-CG2 3.39Å; A452-K464 WeakPolarHBondContact CB-O 3.34Å; A452-D466 WeakPolarHBondContact O-CA 3.09Å; A452-D466 PolarHBondContact O-N 2.81Å; A452-A467 PolarHBondContact N-O 2.92Å; A452-M469 HydrophobicContact CB-CE 3.92Å; A452-M469 HydrophobicContact CB-CG 4.3Å; A452-M469 HydrophobicContact CB-SD 3.84Å
453V88.8Confident90.6Very high60 Ų6047.7 Ų47.736%0.36425%0.25SS..SBendtrans-91.6-8.8177.4-640000114.2P35 P37 Y451P35-V453 PolarHBondContact O-N 2.89Å; P37-V453 HydrophobicContact CB-CG1 3.88Å; P37-V453 HydrophobicContact CG-CG1 3.57Å; Y451-V453 HydrophobicContact CE2-CG1 4.28Å
454R87.2Confident90.9Very high56 Ų5648.2 Ų48.221%0.21125%0.246CC..SBendtrans-155.1161-176.966.6-178-173.4-168.6-1.4112.7S30 N32 V33 P35S30-R454 PolarHBondContact O-NH1 3.07Å; S30-R454 VanDerWaalsContact O-NH1 3.16Å; N32-R454 PolarHBondContact O-NH1 3.39Å; N32-R454 PolarHBondContact O-NH2 2.96Å; V33-R454 VanDerWaalsContact CA-NH2 3.33Å; V33-R454 PolarHBondContact O-NH2 3.09Å; P35-R454 HydrophobicContact CB-CG 4.21Å
455D89.8Confident91Very high119 Ų11953.4 Ų53.464%0.63627%0.269SS*.  trans-73128168.3-59.6-34.7000109.8I463 K464 K465D455-I463 CarbonylContact C-O 3.28Å; D455-I463 WeakPolarHBondContact CA-O 3.25Å; D455-K464 WeakPolarHBondContact OD1-CA 3.26Å; D455-K465 PolarHBondContact OD1-N 3.04Å
456T90Very high91Very high21 Ų2155.2 Ų55.213%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-158.8178.3176.4-159.80000112.4P35 I458 I463P35-T456 HydrophobicContact CB-CG2 3.6Å; P35-T456 HydrophobicContact CG-CG2 3.81Å; T456-I458 HydrophobicContact CG2-CD1 4.1Å; T456-I458 HydrophobicContact CG2-CG1 4.09Å; T456-I463 HydrophobicContact CG2-CB 4.04Å; T456-I463 HydrophobicContact CG2-CD1 4Å; T456-I463 HydrophobicContact CG2-CG2 4.44Å; T456-I463 PolarHBondContact N-O 3Å; T456-I463 PolarHBondContact O-N 2.81Å; T456-I463 VanDerWaalsContact O-O 3.08Å
457K87.7Confident91.1Very high107 Ų10755.3 Ų55.347%0.46528%0.283SS..EExtended strand (participates in β ladder)trans-136.4126.7171.1-171.5-177.8175171.50109.3E180 V461E180-K457 WeakPolarHBondContact CG-O 3.27Å; K457-V461 WeakPolarHBondContact CA-O 3.31Å; K457-V461 WeakPolarHBondContact CG-O 3.33Å
458I85.8Confident91Very high6 Ų657.4 Ų57.43%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-137.9130.7-179.2-62.5179.7000108.7V33 P35 V181 T456 G460 V461 I463 I476V33-I458 WeakPolarHBondContact O-CD1 3.26Å; P35-I458 VanDerWaalsContact CD-CD1 3.44Å; P35-I458 HydrophobicContact CG-CD1 3.86Å; V181-I458 HydrophobicContact CG2-CD1 4.41Å; V181-I458 HydrophobicContact CG2-CG1 4.04Å; T456-I458 HydrophobicContact CG2-CD1 4.1Å; T456-I458 HydrophobicContact CG2-CG1 4.09Å; I458-G460 PolarHBondContact O-N 3.04Å; I458-V461 PolarHBondContact N-O 3.42Å; I458-V461 VanDerWaalsContact N-O 3.16Å; I458-V461 WeakPolarHBondContact O-CB 3.46Å; I458-V461 PolarHBondContact O-N 2.81Å; I458-I463 HydrophobicContact CB-CD1 4.46Å; I458-I476 HydrophobicContact CD1-CD1 4.3Å
459D83.9Confident91Very high105 Ų10556.8 Ų56.856%0.56129%0.287SS*.THydrogen-bonded Turntrans52.831178.8-68.7-33.3000113E180 V461E180-D459 PolarHBondContact OE1-N 3.13Å; E180-D459 PolarHBondContact OE2-N 3.18Å; D459-V461 VanDerWaalsContact C-N 3.32Å; D459-V461 PolarHBondContact O-N 3.29Å
460G83.4Confident91.1Very high49 Ų4956.8 Ų56.851%0.50529%0.287SS..THydrogen-bonded Turntrans85.5-11.7-177.100000116E180 I458E180-G460 PolarHBondContact OE1-N 3.44Å; E180-G460 VanDerWaalsContact OE1-N 3.16Å; I458-G460 PolarHBondContact O-N 3.04Å
461V87.8Confident91.1Very high35 Ų3557.2 Ų57.221%0.21229%0.289CS..EExtended strand (participates in β ladder)trans-81124.4178.4-175.20000109.8K457 I458 D459 I463 I476K457-V461 WeakPolarHBondContact CA-O 3.31Å; K457-V461 WeakPolarHBondContact CG-O 3.33Å; I458-V461 PolarHBondContact N-O 3.42Å; I458-V461 VanDerWaalsContact N-O 3.16Å; I458-V461 WeakPolarHBondContact O-CB 3.46Å; I458-V461 PolarHBondContact O-N 2.81Å; D459-V461 VanDerWaalsContact C-N 3.32Å; D459-V461 PolarHBondContact O-N 3.29Å; V461-I463 HydrophobicContact CG1-CG1 4.16Å; V461-I476 HydrophobicContact CG1-CG2 4.26Å
462E91Very high91.2Very high143 Ų14354.8 Ų54.867%0.66828%0.282SS*.EExtended strand (participates in β ladder)trans-83.8121.1174.7-169.8178.6169.800109.5
463I93Very high91Very high2 Ų257.9 Ų57.91%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-116.7126.9-174.5-61.4162.7000107.8P35 A452 D455 T456 I458 V461 M469 I476P35-I463 HydrophobicContact CG-CD1 3.86Å; A452-I463 HydrophobicContact CB-CG2 3.39Å; D455-I463 CarbonylContact C-O 3.28Å; D455-I463 WeakPolarHBondContact CA-O 3.25Å; T456-I463 HydrophobicContact CG2-CB 4.04Å; T456-I463 HydrophobicContact CG2-CD1 4Å; T456-I463 HydrophobicContact CG2-CG2 4.44Å; T456-I463 PolarHBondContact N-O 3Å; T456-I463 PolarHBondContact O-N 2.81Å; T456-I463 VanDerWaalsContact O-O 3.08Å; I458-I463 HydrophobicContact CB-CD1 4.46Å; V461-I463 HydrophobicContact CG1-CG1 4.16Å; I463-M469 HydrophobicContact CD1-SD 3.91Å; I463-M469 HydrophobicContact CG1-SD 4.21Å; I463-M469 HydrophobicContact CG2-CG 4.3Å; I463-M469 HydrophobicContact CG2-SD 3.59Å; I463-M469 VanDerWaalsContact CG2-SD 3.59Å; I463-I476 HydrophobicContact CD1-CD1 3.47Å; I463-I476 VanDerWaalsContact CD1-CD1 3.47Å; I463-I476 HydrophobicContact CD1-CG2 4.18Å
464K93.1Very high90.9Very high130 Ų13058.3 Ų58.357%0.56530%0.296SS*.  trans-103.4147.1174.1-69.1-175.3179176.20109.9A452 D455 D466 A467A452-K464 WeakPolarHBondContact CB-O 3.34Å; D455-K464 WeakPolarHBondContact OD1-CA 3.26Å; K464-D466 PolarHBondContact O-N 2.8Å; K464-A467 HydrophobicContact CB-CB 4.47Å; K464-A467 WeakPolarHBondContact O-CB 3.46Å; K464-A467 PolarHBondContact O-N 3.46Å; K464-A467 VanDerWaalsContact O-N 3.08Å
465K92.5Very high91.1Very high119 Ų11961.6 Ų61.652%0.51731%0.312SS..THydrogen-bonded Turntrans-51.6139.1171.2-177.7175.5175.6-179.70110.3D455 A467D455-K465 PolarHBondContact OD1-N 3.04Å; K465-A467 PolarHBondContact O-N 3.19Å
466D93.7Very high91.2Very high112 Ų11256 Ų5660%0.59928%0.282SS*.THydrogen-bonded Turntrans66.14.5-178.3-46.9-41.1000114.7A452 K464A452-D466 WeakPolarHBondContact O-CA 3.09Å; A452-D466 PolarHBondContact O-N 2.81Å; K464-D466 PolarHBondContact O-N 2.8Å
467A95.6Very high91.5Very high8 Ų856.8 Ų56.87%0.06629%0.287CS..  trans-72.1146.4170.600000111Y451 A452 K464 K465Y451-A467 CarbonylContact C-O 3.51Å; Y451-A467 VanDerWaalsContact CA-O 3.26Å; Y451-A467 WeakPolarHBondContact CA-O 3.25Å; A452-A467 PolarHBondContact N-O 2.92Å; K464-A467 HydrophobicContact CB-CB 4.47Å; K464-A467 WeakPolarHBondContact O-CB 3.46Å; K464-A467 PolarHBondContact O-N 3.46Å; K464-A467 VanDerWaalsContact O-N 3.08Å; K465-A467 PolarHBondContact O-N 3.19Å
468F96.3Very high91.7Very high45 Ų4551.8 Ų51.820%0.19727%0.265CS..EExtended strand (participates in β ladder)trans-75.9140.3169.2-65.7-78.9000109.8L449 T450 S479 Q480 Q483 T486L449-F468 HydrophobicContact CD1-CB 4.42Å; T450-F468 CarbonylContact O-C 3.59Å; T450-F468 VanDerWaalsContact O-CA 3.3Å; T450-F468 WeakPolarHBondContact O-CA 3.29Å; F468-S479 CarbonylContact O-C 3.59Å; F468-S479 WeakPolarHBondContact O-CA 3.42Å; F468-Q480 PolarHBondContact N-O 3.1Å; F468-Q480 PolarHBondContact O-N 3.38Å; F468-Q483 HydrophobicContact CD1-CB 4.31Å; F468-Q483 HydrophobicContact CD1-CG 3.9Å; F468-Q483 HydrophobicContact CD2-CB 3.84Å; F468-Q483 HydrophobicContact CD2-CG 4.33Å; F468-Q483 HydrophobicContact CE1-CB 4.22Å; F468-Q483 HydrophobicContact CE1-CG 3.88Å; F468-Q483 HydrophobicContact CE2-CB 3.75Å; F468-Q483 HydrophobicContact CE2-CG 4.32Å; F468-Q483 HydrophobicContact CG-CB 4.12Å; F468-Q483 HydrophobicContact CG-CG 4.13Å; F468-Q483 HydrophobicContact CZ-CB 3.94Å; F468-Q483 HydrophobicContact CZ-CG 4.09Å; F468-T486 HydrophobicContact CB-CG2 4.07Å; F468-T486 WeakPolarHBondContact CB-OG1 3.31Å; F468-T486 WeakPolarHBondContact O-CG2 3.25Å
469M95.7Very high92.2Very high0 Ų052.3 Ų52.30%027%0.27CS..EExtended strand (participates in β ladder)trans-124.1131.6179.8-62.5-176.7-61.700110.4P35 V36 L449 T450 A452 I463 L471 I476 S478P35-M469 HydrophobicContact CG-CE 4.14Å; P35-M469 HydrophobicContact CG-SD 3.89Å; V36-M469 HydrophobicContact CG1-CE 3.58Å; L449-M469 WeakPolarHBondContact CA-O 3.29Å; T450-M469 HydrophobicContact CG2-CE 4Å; T450-M469 PolarHBondContact N-O 3.07Å; T450-M469 VanDerWaalsContact N-O 3.08Å; T450-M469 PolarHBondContact O-N 2.97Å; A452-M469 HydrophobicContact CB-CE 3.92Å; A452-M469 HydrophobicContact CB-CG 4.3Å; A452-M469 HydrophobicContact CB-SD 3.84Å; I463-M469 HydrophobicContact CD1-SD 3.91Å; I463-M469 HydrophobicContact CG1-SD 4.21Å; I463-M469 HydrophobicContact CG2-CG 4.3Å; I463-M469 HydrophobicContact CG2-SD 3.59Å; I463-M469 VanDerWaalsContact CG2-SD 3.59Å; M469-L471 HydrophobicContact CB-CD1 4.18Å; M469-I476 HydrophobicContact CB-CG2 4.41Å; M469-I476 HydrophobicContact SD-CD1 3.98Å; M469-S478 VanDerWaalsContact CA-O 3.3Å; M469-S478 WeakPolarHBondContact CA-O 3.43Å
470G96.1Very high92.8Very high0 Ų050.6 Ų50.60%026%0.258CS..EExtended strand (participates in β ladder)trans-95.3128.2168.800000110.2V477 S478 T486G470-V477 WeakPolarHBondContact O-CG2 3.38Å; G470-V477 PolarHBondContact O-N 2.86Å; G470-S478 WeakPolarHBondContact CA-OG 3.47Å; G470-S478 PolarHBondContact N-O 2.85Å; G470-S478 PolarHBondContact N-OG 3.01Å; G470-S478 PolarHBondContact O-N 2.94Å; G470-T486 VanDerWaalsContact N-CG2 3.31Å
471L95Very high93.3Very high8 Ų853.4 Ų53.44%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-119.1131.4179.5-58.190000110G447 S448 T450 M469 K475 I476G447-L471 CarbonylContact C-O 2.95Å; G447-L471 VanDerWaalsContact CA-O 3.25Å; G447-L471 WeakPolarHBondContact CA-O 3.47Å; S448-L471 PolarHBondContact N-O 2.84Å; S448-L471 PolarHBondContact O-N 2.83Å; T450-L471 HydrophobicContact CG2-CD1 3.57Å; M469-L471 HydrophobicContact CB-CD1 4.18Å; L471-K475 CarbonylContact C-O 3.24Å; L471-K475 VanDerWaalsContact CA-O 3.29Å; L471-K475 WeakPolarHBondContact CA-O 3.29Å; L471-I476 HydrophobicContact CD2-CG1 4.08Å; L471-I476 HydrophobicContact CG-CG1 4.18Å
472I94.6Very high93.5Very high26 Ų2655.5 Ų55.513%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-101.4115.4163.5-59.3-179.8000106.4K445 S446 D474 K475 V477 L490 E493 M494K445-I472 HydrophobicContact CG-CG2 4.02Å; S446-I472 WeakPolarHBondContact O-CA 3.34Å; I472-D474 PolarHBondContact O-N 3.12Å; I472-K475 PolarHBondContact N-O 2.81Å; I472-K475 PolarHBondContact O-N 2.9Å; I472-V477 HydrophobicContact CB-CG1 4.39Å; I472-V477 HydrophobicContact CD1-CG1 4Å; I472-V477 HydrophobicContact CD1-CG2 4.18Å; I472-V477 HydrophobicContact CG1-CG1 4.06Å; I472-V477 HydrophobicContact CG1-CG2 3.96Å; I472-L490 HydrophobicContact CD1-CD1 4.4Å; I472-L490 HydrophobicContact CG1-CD1 3.6Å; I472-E493 HydrophobicContact CD1-CB 3.77Å; I472-M494 HydrophobicContact CD1-CG 3.68Å; I472-M494 HydrophobicContact CG1-CG 3.7Å; I472-M494 HydrophobicContact CG1-SD 4.45Å
473E90.3Very high93.7Very high65 Ų6549.5 Ų49.530%0.30425%0.252SS..THydrogen-bonded Turntrans51.9-109.2-166.5-55.9-64.3151.100109.8Q416 S446Q416-E473 PolarHBondContact NE2-OE1 3.31Å; Q416-E473 PolarHBondContact NE2-OE2 3.12Å; S446-E473 WeakPolarHBondContact CA-OE1 3.49Å; S446-E473 WeakPolarHBondContact CB-OE1 3.5Å; S446-E473 PolarHBondContact N-OE1 2.91Å; S446-E473 PolarHBondContact O-N 3.43Å
474D85.7Confident93.6Very high69 Ų6952 Ų5237%0.36927%0.265SS..THydrogen-bonded Turntrans-105.1-3.4179.9-78-26.4000113.4Y34 K389 I472Y34-D474 VanDerWaalsContact CE1-O 3.26Å; Y34-D474 WeakPolarHBondContact CE1-O 3.4Å; Y34-D474 PolarHBondContact OH-O 3.04Å; K389-D474 VanDerWaalsContact CD-OD2 3.27Å; K389-D474 WeakPolarHBondContact CD-OD2 3.41Å; K389-D474 IonicContact NZ-OD1 3.95Å; K389-D474 PolarHBondContact NZ-OD1 2.87Å; K389-D474 IonicContact NZ-OD2 2.67Å; K389-D474 PolarHBondContact NZ-OD2 2.88Å; I472-D474 PolarHBondContact O-N 3.12Å
475K91.5Very high93.7Very high124 Ų12448.6 Ų48.654%0.53926%0.255SS..EExtended strand (participates in β ladder)trans-94.1123.5-175.1-173.3-174.4176.3-166.50110.1L471 I472 V477L471-K475 CarbonylContact C-O 3.24Å; L471-K475 VanDerWaalsContact CA-O 3.29Å; L471-K475 WeakPolarHBondContact CA-O 3.29Å; I472-K475 PolarHBondContact N-O 2.81Å; I472-K475 PolarHBondContact O-N 2.9Å; K475-V477 HydrophobicContact CD-CG1 4.35Å; K475-V477 HydrophobicContact CG-CG1 4.37Å; K475-V477 PolarHBondContact O-N 2.85Å
476I93.4Very high93.8Very high3 Ų342.9 Ų42.92%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-73.8119.1172.4-55.9172.7000108P35 I458 V461 I463 M469 L471P35-I476 HydrophobicContact CG-CD1 3.84Å; I458-I476 HydrophobicContact CD1-CD1 4.3Å; V461-I476 HydrophobicContact CG1-CG2 4.26Å; I463-I476 HydrophobicContact CD1-CD1 3.47Å; I463-I476 VanDerWaalsContact CD1-CD1 3.47Å; I463-I476 HydrophobicContact CD1-CG2 4.18Å; M469-I476 HydrophobicContact CB-CG2 4.41Å; M469-I476 HydrophobicContact SD-CD1 3.98Å; L471-I476 HydrophobicContact CD2-CG1 4.08Å; L471-I476 HydrophobicContact CG-CG1 4.18Å
477V94.4Very high93.8Very high36 Ų3637.6 Ų37.622%0.21820%0.202CC..EExtended strand (participates in β ladder)trans-109.7-26-179-63.90000112.8G470 I472 K475 L490G470-V477 WeakPolarHBondContact O-CG2 3.38Å; G470-V477 PolarHBondContact O-N 2.86Å; I472-V477 HydrophobicContact CB-CG1 4.39Å; I472-V477 HydrophobicContact CD1-CG1 4Å; I472-V477 HydrophobicContact CD1-CG2 4.18Å; I472-V477 HydrophobicContact CG1-CG1 4.06Å; I472-V477 HydrophobicContact CG1-CG2 3.96Å; K475-V477 HydrophobicContact CD-CG1 4.35Å; K475-V477 HydrophobicContact CG-CG1 4.37Å; K475-V477 PolarHBondContact O-N 2.85Å; V477-L490 HydrophobicContact CG2-CD1 3.6Å
478S93.1Very high93.7Very high3 Ų338.4 Ų38.42%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-139.2149.8177.658.90000110.9M469 G470 T486 E489M469-S478 VanDerWaalsContact CA-O 3.3Å; M469-S478 WeakPolarHBondContact CA-O 3.43Å; G470-S478 WeakPolarHBondContact CA-OG 3.47Å; G470-S478 PolarHBondContact N-O 2.85Å; G470-S478 PolarHBondContact N-OG 3.01Å; G470-S478 PolarHBondContact O-N 2.94Å; S478-T486 WeakPolarHBondContact OG-CG2 3.48Å; S478-T486 PolarHBondContact OG-O 3.37Å; S478-T486 VanDerWaalsContact OG-O 3.11Å; S478-E489 VanDerWaalsContact CB-OE2 3.29Å; S478-E489 WeakPolarHBondContact CB-OE2 3.42Å
479S95.3Very high93.6Very high17 Ų1739.4 Ų39.412%0.11921%0.212CC..EExtended strand (participates in β ladder)trans-151.3103.4175.4169.40000109.5F468F468-S479 CarbonylContact O-C 3.59Å; F468-S479 WeakPolarHBondContact O-CA 3.42Å
480Q96.3Very high93.6Very high69 Ų6939.4 Ų39.432%0.32221%0.212SC..EExtended strand (participates in β ladder)trans-132.7158.4-177.6-50.6-67.7-14.500111.5F468 D482 T485 T486 E489F468-Q480 PolarHBondContact N-O 3.1Å; F468-Q480 PolarHBondContact O-N 3.38Å; Q480-D482 VanDerWaalsContact C-N 3.27Å; Q480-T485 HydrophobicContact CG-CG2 4.05Å; Q480-T486 WeakPolarHBondContact CB-OG1 3.42Å; Q480-E489 WeakPolarHBondContact CG-OE2 3.49Å; Q480-E489 VanDerWaalsContact NE2-CD 3.35Å; Q480-E489 PolarHBondContact NE2-OE1 3.35Å; Q480-E489 PolarHBondContact NE2-OE2 2.96Å
481S94Very high93.6Very high108 Ų10839.4 Ų39.476%0.75521%0.212SC*.SBendtrans-73.3-22.6172.857.20000113
482D93.7Very high93.5Very high78 Ų7843 Ų4342%0.41723%0.231SC..SBendtrans-99.7127.7-179.7178.671.3000110.5Q480 L484 T485 T486Q480-D482 VanDerWaalsContact C-N 3.27Å; D482-L484 PolarHBondContact OD2-N 2.76Å; D482-T485 WeakPolarHBondContact OD2-CB 3.35Å; D482-T485 PolarHBondContact OD2-N 3.14Å; D482-T485 PolarHBondContact OD2-OG1 3.36Å; D482-T486 PolarHBondContact O-N 3.32Å; D482-T486 VanDerWaalsContact O-N 3.1Å; D482-T486 PolarHBondContact O-OG1 3.16Å
483Q93.4Very high93.5Very high18 Ų1847.7 Ų47.78%0.08425%0.252CS..Hα-helixtrans-64.6-46.4-174.9-164.6-179.44.300111.7L449 F468 T485 T486 V487 V514L449-Q483 HydrophobicContact CD2-CG 3.5Å; L449-Q483 VanDerWaalsContact CD2-CG 3.5Å; F468-Q483 HydrophobicContact CD1-CB 4.31Å; F468-Q483 HydrophobicContact CD1-CG 3.9Å; F468-Q483 HydrophobicContact CD2-CB 3.84Å; F468-Q483 HydrophobicContact CD2-CG 4.33Å; F468-Q483 HydrophobicContact CE1-CB 4.22Å; F468-Q483 HydrophobicContact CE1-CG 3.88Å; F468-Q483 HydrophobicContact CE2-CB 3.75Å; F468-Q483 HydrophobicContact CE2-CG 4.32Å; F468-Q483 HydrophobicContact CG-CB 4.12Å; F468-Q483 HydrophobicContact CG-CG 4.13Å; F468-Q483 HydrophobicContact CZ-CB 3.94Å; F468-Q483 HydrophobicContact CZ-CG 4.09Å; Q483-T485 PolarHBondContact O-N 3.4Å; Q483-T486 WeakPolarHBondContact O-CB 3.45Å; Q483-T486 PolarHBondContact O-N 2.99Å; Q483-V487 WeakPolarHBondContact O-CG2 3.36Å; Q483-V487 PolarHBondContact O-N 2.77Å; Q483-V514 HydrophobicContact CB-CG1 4.41Å; Q483-V514 HydrophobicContact CG-CG1 4.29Å
484L92.3Very high93.7Very high55 Ų5544.7 Ų44.729%0.28824%0.238SC..Hα-helixtrans-63.9-43.7-178.1-176.362.5000110.9D482 T486 V487 T488 N517 M518D482-L484 PolarHBondContact OD2-N 2.76Å; L484-T486 VanDerWaalsContact C-N 3.3Å; L484-T486 PolarHBondContact O-N 3.08Å; L484-V487 PolarHBondContact O-N 2.91Å; L484-T488 HydrophobicContact CD1-CG2 4.49Å; L484-T488 WeakPolarHBondContact O-CG2 3.48Å; L484-T488 PolarHBondContact O-N 2.84Å; L484-T488 PolarHBondContact O-OG1 2.87Å; L484-N517 HydrophobicContact CD2-CB 4.41Å; L484-M518 HydrophobicContact CD1-CB 4.04Å
485T94.3Very high94Very high57 Ų5742 Ų4235%0.3522%0.224SC..Hα-helixtrans-59.9-40.9175.7-52.60000111.8Q480 D482 Q483 V487 T488 E489Q480-T485 HydrophobicContact CG-CG2 4.05Å; D482-T485 WeakPolarHBondContact OD2-CB 3.35Å; D482-T485 PolarHBondContact OD2-N 3.14Å; D482-T485 PolarHBondContact OD2-OG1 3.36Å; Q483-T485 PolarHBondContact O-N 3.4Å; T485-V487 PolarHBondContact O-N 2.9Å; T485-T488 PolarHBondContact O-N 2.89Å; T485-T488 PolarHBondContact O-OG1 2.99Å; T485-E489 WeakPolarHBondContact O-CG 3.22Å; T485-E489 PolarHBondContact O-N 3.36Å
486T95.3Very high93.8Very high0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-64.2-42.3177.7-51.50000111.6L449 F468 G470 S478 Q480 D482 Q483 L484 L490L449-T486 HydrophobicContact CD1-CG2 3.43Å; L449-T486 VanDerWaalsContact CD1-CG2 3.43Å; F468-T486 HydrophobicContact CB-CG2 4.07Å; F468-T486 WeakPolarHBondContact CB-OG1 3.31Å; F468-T486 WeakPolarHBondContact O-CG2 3.25Å; G470-T486 VanDerWaalsContact N-CG2 3.31Å; S478-T486 WeakPolarHBondContact OG-CG2 3.48Å; S478-T486 PolarHBondContact OG-O 3.37Å; S478-T486 VanDerWaalsContact OG-O 3.11Å; Q480-T486 WeakPolarHBondContact CB-OG1 3.42Å; D482-T486 PolarHBondContact O-N 3.32Å; D482-T486 VanDerWaalsContact O-N 3.1Å; D482-T486 PolarHBondContact O-OG1 3.16Å; Q483-T486 WeakPolarHBondContact O-CB 3.45Å; Q483-T486 PolarHBondContact O-N 2.99Å; L484-T486 VanDerWaalsContact C-N 3.3Å; L484-T486 PolarHBondContact O-N 3.08Å; T486-L490 WeakPolarHBondContact O-CB 3.13Å; T486-L490 PolarHBondContact O-N 2.88Å
487V94.1Very high93.3Very high1 Ų148.4 Ų48.41%0.00626%0.264CS..Hα-helixtrans-65.6-44.6177.2175.10000111.4L449 Q483 L484 T485 E489 L490 L491 M518 Y543 F545L449-V487 HydrophobicContact CD1-CG2 4Å; L449-V487 HydrophobicContact CD2-CG2 3.57Å; L449-V487 HydrophobicContact CG-CG2 4.29Å; Q483-V487 WeakPolarHBondContact O-CG2 3.36Å; Q483-V487 PolarHBondContact O-N 2.77Å; L484-V487 PolarHBondContact O-N 2.91Å; T485-V487 PolarHBondContact O-N 2.9Å; V487-E489 VanDerWaalsContact C-N 3.34Å; V487-E489 PolarHBondContact O-N 2.9Å; V487-L490 WeakPolarHBondContact O-CB 3.34Å; V487-L490 PolarHBondContact O-N 2.84Å; V487-L491 HydrophobicContact CG1-CD1 3.62Å; V487-L491 HydrophobicContact CG1-CG 3.93Å; V487-L491 WeakPolarHBondContact O-CB 3.3Å; V487-L491 WeakPolarHBondContact O-CG 3.45Å; V487-L491 PolarHBondContact O-N 3.21Å; V487-M518 HydrophobicContact CB-SD 4.43Å; V487-M518 HydrophobicContact CG1-CG 3.78Å; V487-M518 HydrophobicContact CG1-SD 3.63Å; V487-M518 HydrophobicContact CG2-SD 4.21Å; V487-Y543 HydrophobicContact CG2-CD2 4.4Å; V487-F545 HydrophobicContact CG1-CE1 4.48Å; V487-F545 HydrophobicContact CG1-CE2 4.45Å; V487-F545 HydrophobicContact CG1-CZ 3.82Å; V487-F545 HydrophobicContact CG2-CZ 4.35Å
488T92.8Very high93Very high24 Ų2452.9 Ų52.915%0.14729%0.287CS..Hα-helixtrans-64.1-40.9-179.758.10000111.5L484 T485 L491 N492 W521L484-T488 HydrophobicContact CD1-CG2 4.49Å; L484-T488 WeakPolarHBondContact O-CG2 3.48Å; L484-T488 PolarHBondContact O-N 2.84Å; L484-T488 PolarHBondContact O-OG1 2.87Å; T485-T488 PolarHBondContact O-N 2.89Å; T485-T488 PolarHBondContact O-OG1 2.99Å; T488-L491 PolarHBondContact O-N 2.79Å; T488-N492 VanDerWaalsContact O-CB 3.32Å; T488-N492 WeakPolarHBondContact O-CB 3.39Å; T488-N492 PolarHBondContact O-N 2.77Å; T488-N492 PolarHBondContact O-ND2 3.16Å; T488-W521 HydrophobicContact CG2-CD2 3.48Å; T488-W521 VanDerWaalsContact CG2-CD2 3.48Å; T488-W521 HydrophobicContact CG2-CE3 3.72Å; T488-W521 HydrophobicContact CG2-CG 4.1Å; T488-W521 HydrophobicContact CG2-CH2 3.83Å; T488-W521 HydrophobicContact CG2-CZ2 3.59Å; T488-W521 HydrophobicContact CG2-CZ3 3.9Å
489E94.9Very high92.9Very high67 Ų6753.5 Ų53.531%0.31329%0.291SS..Hα-helixtrans-61.3-42.5171.8-72.7-179.5176.500112.2S478 Q480 T485 V487 E493S478-E489 VanDerWaalsContact CB-OE2 3.29Å; S478-E489 WeakPolarHBondContact CB-OE2 3.42Å; Q480-E489 WeakPolarHBondContact CG-OE2 3.49Å; Q480-E489 VanDerWaalsContact NE2-CD 3.35Å; Q480-E489 PolarHBondContact NE2-OE1 3.35Å; Q480-E489 PolarHBondContact NE2-OE2 2.96Å; T485-E489 WeakPolarHBondContact O-CG 3.22Å; T485-E489 PolarHBondContact O-N 3.36Å; V487-E489 VanDerWaalsContact C-N 3.34Å; V487-E489 PolarHBondContact O-N 2.9Å; E489-E493 PolarHBondContact O-N 3.45Å
490L95.6Very high92.7Very high0 Ų059.6 Ų59.60%032%0.317CS..Hα-helixtrans-62.4-50.6176.7173.662.3000111.6S448 I472 V477 T486 V487 N492 E493 M494 F545S448-L490 WeakPolarHBondContact O-CD2 3.44Å; I472-L490 HydrophobicContact CD1-CD1 4.4Å; I472-L490 HydrophobicContact CG1-CD1 3.6Å; V477-L490 HydrophobicContact CG2-CD1 3.6Å; T486-L490 WeakPolarHBondContact O-CB 3.13Å; T486-L490 PolarHBondContact O-N 2.88Å; V487-L490 WeakPolarHBondContact O-CB 3.34Å; V487-L490 PolarHBondContact O-N 2.84Å; L490-N492 PolarHBondContact O-N 3.17Å; L490-E493 PolarHBondContact O-N 2.88Å; L490-E493 VanDerWaalsContact O-N 3.15Å; L490-M494 HydrophobicContact CD1-CG 4.05Å; L490-M494 HydrophobicContact CD1-SD 3.84Å; L490-M494 HydrophobicContact CD2-SD 4.35Å; L490-M494 HydrophobicContact CG-CG 4.36Å; L490-M494 HydrophobicContact CG-SD 3.85Å; L490-M494 WeakPolarHBondContact O-CG 3.44Å; L490-M494 PolarHBondContact O-N 3.14Å; L490-F545 HydrophobicContact CD2-CD2 3.78Å; L490-F545 HydrophobicContact CD2-CE2 3.84Å
491L94.6Very high92.5Very high0 Ų058.4 Ų58.40%031%0.313CS..Hα-helixtrans-68.2-34.6-176.6-69180000112.4V487 T488 E493 M494 L495 L502 W521 I522 F545V487-L491 HydrophobicContact CG1-CD1 3.62Å; V487-L491 HydrophobicContact CG1-CG 3.93Å; V487-L491 WeakPolarHBondContact O-CB 3.3Å; V487-L491 WeakPolarHBondContact O-CG 3.45Å; V487-L491 PolarHBondContact O-N 3.21Å; T488-L491 PolarHBondContact O-N 2.79Å; L491-E493 PolarHBondContact O-N 3.2Å; L491-M494 HydrophobicContact CD2-SD 4.37Å; L491-M494 PolarHBondContact O-N 3.08Å; L491-M494 VanDerWaalsContact O-N 3.08Å; L491-L495 HydrophobicContact CB-CD1 4.24Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 PolarHBondContact O-N 2.9Å; L491-L502 HydrophobicContact CD1-CD2 4.41Å; L491-L502 HydrophobicContact CD2-CD1 3.98Å; L491-L502 HydrophobicContact CD2-CD2 4.32Å; L491-W521 HydrophobicContact CB-CZ3 4.13Å; L491-W521 HydrophobicContact CD1-CZ3 4.11Å; L491-I522 HydrophobicContact CD1-CD1 3.61Å; L491-I522 HydrophobicContact CD1-CG1 3.64Å; L491-F545 HydrophobicContact CD1-CE1 4.42Å; L491-F545 HydrophobicContact CD2-CB 4.49Å; L491-F545 HydrophobicContact CD2-CD1 3.9Å; L491-F545 HydrophobicContact CD2-CE1 4.22Å; L491-F545 HydrophobicContact CD2-CG 4.05Å
492N93.9Very high92.5Very high83 Ų8353.3 Ų53.344%0.44428%0.277SS..Hα-helixtrans-59.4-35.1171.5-75.7-29.4000112.8T488 L490 Y526T488-N492 VanDerWaalsContact O-CB 3.32Å; T488-N492 WeakPolarHBondContact O-CB 3.39Å; T488-N492 PolarHBondContact O-N 2.77Å; T488-N492 PolarHBondContact O-ND2 3.16Å; L490-N492 PolarHBondContact O-N 3.17Å; N492-Y526 WeakPolarHBondContact CA-OH 3.31Å; N492-Y526 PolarHBondContact OD1-OH 2.84Å
493E93.8Very high92.6Very high125 Ų12550.3 Ų50.358%0.58426%0.262SS*.Hα-helixtrans-82.4-22.6175.3-70.8-72.6153.500112.3K445 I472 E489 L490 L491K445-E493 PolarHBondContact NZ-O 2.84Å; I472-E493 HydrophobicContact CD1-CB 3.77Å; E489-E493 PolarHBondContact O-N 3.45Å; L490-E493 PolarHBondContact O-N 2.88Å; L490-E493 VanDerWaalsContact O-N 3.15Å; L491-E493 PolarHBondContact O-N 3.2Å
494M94.5Very high92.7Very high2 Ų249.5 Ų49.51%0.0126%0.258CS..Hα-helixtrans-82.9-53.2-179.7-74.7-174.573.100113.4K445 G447 I472 L490 L491 F545 V547K445-M494 WeakPolarHBondContact CD-O 3.38Å; K445-M494 HydrophobicContact CG-CE 4.31Å; K445-M494 VanDerWaalsContact NZ-CA 3.32Å; K445-M494 PolarHBondContact NZ-O 2.96Å; K445-M494 VanDerWaalsContact O-CE 3.26Å; K445-M494 WeakPolarHBondContact O-CE 3.38Å; G447-M494 VanDerWaalsContact CA-CE 3.44Å; G447-M494 WeakPolarHBondContact CA-SD 3.39Å; I472-M494 HydrophobicContact CD1-CG 3.68Å; I472-M494 HydrophobicContact CG1-CG 3.7Å; I472-M494 HydrophobicContact CG1-SD 4.45Å; L490-M494 HydrophobicContact CD1-CG 4.05Å; L490-M494 HydrophobicContact CD1-SD 3.84Å; L490-M494 HydrophobicContact CD2-SD 4.35Å; L490-M494 HydrophobicContact CG-CG 4.36Å; L490-M494 HydrophobicContact CG-SD 3.85Å; L490-M494 WeakPolarHBondContact O-CG 3.44Å; L490-M494 PolarHBondContact O-N 3.14Å; L491-M494 HydrophobicContact CD2-SD 4.37Å; L491-M494 PolarHBondContact O-N 3.08Å; L491-M494 VanDerWaalsContact O-N 3.08Å; M494-F545 HydrophobicContact CE-CB 3.94Å; M494-F545 HydrophobicContact SD-CB 4.11Å; M494-V547 HydrophobicContact CB-CG2 4.15Å; M494-V547 HydrophobicContact CE-CB 4.37Å; M494-V547 HydrophobicContact CE-CG2 3.85Å
495L92.4Very high92.9Very high13 Ų1347 Ų477%0.06825%0.245CC..  trans-77.9136.4-173.7-67.4164.8000111.2L491 L502 Y526 V529 V547L491-L495 HydrophobicContact CB-CD1 4.24Å; L491-L495 WeakPolarHBondContact O-CB 3.36Å; L491-L495 PolarHBondContact O-N 2.9Å; L495-L502 HydrophobicContact CD1-CD2 4.47Å; L495-L502 HydrophobicContact CD2-CB 4.4Å; L495-L502 HydrophobicContact CD2-CD1 4.49Å; L495-Y526 HydrophobicContact CB-CD1 4.22Å; L495-Y526 HydrophobicContact CB-CE1 3.77Å; L495-Y526 HydrophobicContact CD1-CD1 4.01Å; L495-Y526 HydrophobicContact CD1-CD2 3.54Å; L495-Y526 HydrophobicContact CD1-CE1 3.96Å; L495-Y526 HydrophobicContact CD1-CE2 3.51Å; L495-Y526 HydrophobicContact CD1-CG 3.79Å; L495-V529 HydrophobicContact CD2-CG1 4.28Å; L495-V529 HydrophobicContact CD2-CG2 4.44Å; L495-V547 HydrophobicContact CD2-CG1 3.94Å; L495-V547 HydrophobicContact CD2-CG2 3.71Å; L495-V547 HydrophobicContact CG-CG2 4.27Å
496A87.8Confident93Very high50 Ų5044.6 Ų44.641%0.41323%0.23SC..  trans-121.5172.7175.400000110.3D498 S499A496-D498 WeakPolarHBondContact CB-OD1 3.41Å; A496-D498 PolarHBondContact O-N 2.82Å; A496-S499 PolarHBondContact N-OG 3.16Å; A496-S499 WeakPolarHBondContact O-CB 3.33Å; A496-S499 PolarHBondContact O-N 3.05Å; A496-S499 PolarHBondContact O-OG 3.47Å
497E84.1Confident93Very high210 Ų21044.7 Ų44.798%0.98123%0.231SC*.THydrogen-bonded Turntrans-63.5-20.6179-69.4-174.1171.900113.2
498D87.1Confident92.9Very high131 Ų13150.3 Ų50.370%0.70126%0.257SS*.THydrogen-bonded Turntrans-1015.1178.660.7-27.3000113.9A496A496-D498 WeakPolarHBondContact CB-OD1 3.41Å; A496-D498 PolarHBondContact O-N 2.82Å
499S91.2Very high92.8Very high15 Ų1553.5 Ų53.511%0.10527%0.273CS..  trans-68.6130.3172.7-62.60000110.6A496 V547A496-S499 PolarHBondContact N-OG 3.16Å; A496-S499 WeakPolarHBondContact O-CB 3.33Å; A496-S499 PolarHBondContact O-N 3.05Å; A496-S499 PolarHBondContact O-OG 3.47Å; S499-V547 VanDerWaalsContact OG-CG1 3.31Å; S499-V547 WeakPolarHBondContact OG-CG1 3.4Å
500E90Very high92.7Very high145 Ų14551.2 Ų51.268%0.67827%0.266SS*.  trans-103.3-43-177.2-63.6-172.4171.200111.5E530 E548E500-E530 PolarHBondContact O-N 2.97Å; E500-E548 PolarHBondContact N-O 2.99Å
501I92.5Very high92.5Very high45 Ų4557.2 Ų57.223%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-130.9135-173.5-55.8175000110.3E530 E548I501-E530 WeakPolarHBondContact CA-O 3.45Å; I501-E530 HydrophobicContact CG1-CB 4.43Å; I501-E548 PolarHBondContact N-O 2.92Å; I501-E548 PolarHBondContact O-N 3.12Å; I501-E548 VanDerWaalsContact O-N 3.14Å
502L95.2Very high92.3Very high0 Ų062.3 Ų62.30%032%0.318CS..EExtended strand (participates in β ladder)trans-116112.7167.4175.971.1000109.6L491 L495 V504 I522 V529 E530 V531 E532 F545 S546 V547L491-L502 HydrophobicContact CD1-CD2 4.41Å; L491-L502 HydrophobicContact CD2-CD1 3.98Å; L491-L502 HydrophobicContact CD2-CD2 4.32Å; L495-L502 HydrophobicContact CD1-CD2 4.47Å; L495-L502 HydrophobicContact CD2-CB 4.4Å; L495-L502 HydrophobicContact CD2-CD1 4.49Å; L502-V504 HydrophobicContact CD2-CG2 4.31Å; L502-V504 HydrophobicContact CG-CG2 4.26Å; L502-I522 HydrophobicContact CD2-CD1 3.75Å; L502-I522 HydrophobicContact CD2-CG1 4.27Å; L502-I522 HydrophobicContact CD2-CG2 3.68Å; L502-V529 HydrophobicContact CB-CG1 3.81Å; L502-E530 PolarHBondContact N-O 2.95Å; L502-V531 WeakPolarHBondContact O-CA 3.47Å; L502-E532 PolarHBondContact O-N 3.15Å; L502-F545 HydrophobicContact CD1-CB 4.32Å; L502-F545 HydrophobicContact CD1-CD1 4.28Å; L502-S546 CarbonylContact C-O 3.43Å; L502-S546 WeakPolarHBondContact CA-O 3.46Å; L502-V547 HydrophobicContact CD1-CG2 3.49Å; L502-V547 VanDerWaalsContact CD1-CG2 3.49Å
503T94.8Very high92.2Very high16 Ų1661.2 Ų61.210%0.09832%0.321CS..EExtended strand (participates in β ladder)trans-95.9127171.4-45.90000110.2I505 E532 F545 S546T503-I505 HydrophobicContact CG2-CG1 4.39Å; T503-E532 CarbonylContact C-O 3.6Å; T503-E532 WeakPolarHBondContact CA-O 3.41Å; T503-E532 HydrophobicContact CG2-CB 4.29Å; T503-F545 CarbonylContact O-C 3.6Å; T503-F545 VanDerWaalsContact O-CA 3.31Å; T503-F545 WeakPolarHBondContact O-CA 3.47Å; T503-S546 PolarHBondContact N-O 3.36Å; T503-S546 PolarHBondContact O-N 2.88Å
504V96.2Very high92Very high0 Ų056.4 Ų56.40%030%0.3CS..EExtended strand (participates in β ladder)trans-108.9123.2176.3-1770000109.2L502 M518 V531 E532 V533 H534 Y543 F545L502-V504 HydrophobicContact CD2-CG2 4.31Å; L502-V504 HydrophobicContact CG-CG2 4.26Å; V504-M518 HydrophobicContact CG1-CE 3.58Å; V504-V531 HydrophobicContact CG2-CG1 4.37Å; V504-E532 PolarHBondContact N-O 3.34Å; V504-V533 HydrophobicContact CB-CG2 4.34Å; V504-V533 WeakPolarHBondContact O-CA 3.32Å; V504-H534 PolarHBondContact O-N 3.49Å; V504-Y543 HydrophobicContact CG1-CD1 4.11Å; V504-F545 HydrophobicContact CB-CD1 4.48Å; V504-F545 HydrophobicContact CB-CE1 4.47Å; V504-F545 HydrophobicContact CG1-CD1 4.35Å; V504-F545 HydrophobicContact CG1-CE1 3.94Å; V504-F545 HydrophobicContact CG2-CD1 3.99Å; V504-F545 HydrophobicContact CG2-CE1 4.01Å
505I96Very high91.9Very high2 Ų256.4 Ų56.41%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-113.8112.5177.1-55.8173.6000109.3I344 I414 I418 T503 H534 Q538 Y543 F544I344-I505 HydrophobicContact CD1-CG2 4.1Å; I344-I505 HydrophobicContact CG1-CG2 3.93Å; I414-I505 HydrophobicContact CG2-CD1 4.16Å; I418-I505 HydrophobicContact CD1-CD1 3.82Å; T503-I505 HydrophobicContact CG2-CG1 4.39Å; I505-H534 CarbonylContact C-O 3.58Å; I505-H534 WeakPolarHBondContact CA-O 3.49Å; I505-Q538 PolarHBondContact O-NE2 2.98Å; I505-Y543 CarbonylContact O-C 3.6Å; I505-Y543 WeakPolarHBondContact O-CA 3.44Å; I505-F544 HydrophobicContact CB-CB 4.16Å; I505-F544 PolarHBondContact N-O 2.81Å; I505-F544 PolarHBondContact O-N 3.43Å
506I96.7Very high92Very high7 Ų759.1 Ų59.14%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-81129.5-172.2-56.6168.9000110.9A510 T515 V533 H534 E535 G536 G537 Q538 Y543I506-A510 HydrophobicContact CG2-CB 3.5Å; I506-A510 VanDerWaalsContact CG2-CB 3.5Å; I506-T515 HydrophobicContact CD1-CG2 3.71Å; I506-T515 HydrophobicContact CG1-CG2 4.19Å; I506-V533 HydrophobicContact CD1-CG1 3.55Å; I506-V533 HydrophobicContact CG1-CG1 4.1Å; I506-H534 PolarHBondContact N-O 2.83Å; I506-E535 WeakPolarHBondContact CD1-OE1 3.44Å; I506-G536 CarbonylContact O-C 3.48Å; I506-G536 VanDerWaalsContact O-CA 3.29Å; I506-G536 WeakPolarHBondContact O-CA 3.44Å; I506-G536 PolarHBondContact O-N 3.25Å; I506-G537 PolarHBondContact O-N 2.96Å; I506-Q538 PolarHBondContact O-OE1 2.96Å; I506-Y543 HydrophobicContact CG1-CD1 4.37Å; I506-Y543 HydrophobicContact CG1-CE1 4.33Å; I506-Y543 HydrophobicContact CG2-CE1 4.34Å
507G95Very high92.2Very high3 Ų361.1 Ų61.13%0.03132%0.318CS..  trans-85163.7175.400000113.3D509 A510 Q538 Y541 Q542G507-D509 PolarHBondContact O-N 3.18Å; G507-A510 VanDerWaalsContact O-CB 3.29Å; G507-A510 WeakPolarHBondContact O-CB 3.35Å; G507-A510 PolarHBondContact O-N 3.46Å; G507-A510 VanDerWaalsContact O-N 3.13Å; G507-Q538 VanDerWaalsContact CA-CD 3.45Å; G507-Q538 VanDerWaalsContact CA-NE2 3.33Å; G507-Q538 WeakPolarHBondContact CA-O 3.46Å; G507-Y541 WeakPolarHBondContact CA-O 3.49Å; G507-Q542 PolarHBondContact N-O 3.09Å
508Q92.6Very high92.6Very high118 Ų11851.1 Ų51.155%0.55127%0.271SS*.THydrogen-bonded Turntrans-62.5-28.4-175.174.7-178.39.800113.5Q538Q508-Q538 PolarHBondContact N-O 3.03Å
509D90.1Very high92.9Very high91 Ų9146.3 Ų46.349%0.48725%0.245SC..THydrogen-bonded Turntrans-96.27.5-176.4-58.7-53.2000112G507G507-D509 PolarHBondContact O-N 3.18Å
510A92.6Very high93Very high20 Ų2050.1 Ų50.117%0.16526%0.264CS..  trans-74.7134.2176.900000111.1I506 G507 Y543I506-A510 HydrophobicContact CG2-CB 3.5Å; I506-A510 VanDerWaalsContact CG2-CB 3.5Å; G507-A510 VanDerWaalsContact O-CB 3.29Å; G507-A510 WeakPolarHBondContact O-CB 3.35Å; G507-A510 PolarHBondContact O-N 3.46Å; G507-A510 VanDerWaalsContact O-N 3.13Å; A510-Y543 HydrophobicContact CB-CE1 3.92Å
511E91.2Very high93.1Very high125 Ų12545.7 Ų45.758%0.58424%0.242SC*.  trans-84.2125.5173.6-65.5-173.7-170.700110.4A513 V514 T515E511-A513 PolarHBondContact O-N 3.11Å; E511-V514 HydrophobicContact CB-CB 4.32Å; E511-V514 HydrophobicContact CB-CG2 3.96Å; E511-V514 WeakPolarHBondContact O-CB 3.47Å; E511-V514 PolarHBondContact O-N 2.91Å; E511-T515 PolarHBondContact O-N 3.23Å; E511-T515 PolarHBondContact O-OG1 3.4Å
512Q91.1Very high93.1Very high108 Ų10843.6 Ų43.651%0.50523%0.231SC..Hα-helixtrans-52.1-42.2179-172.866.750.700112.6V514 T515 D516Q512-V514 VanDerWaalsContact C-N 3.28Å; Q512-V514 PolarHBondContact O-N 2.93Å; Q512-T515 WeakPolarHBondContact O-CB 3.36Å; Q512-T515 PolarHBondContact O-N 3.04Å; Q512-T515 VanDerWaalsContact O-N 3.16Å; Q512-D516 PolarHBondContact NE2-OD1 3.38Å; Q512-D516 VanDerWaalsContact O-CG 3.25Å; Q512-D516 PolarHBondContact O-N 3.42Å
513A91.1Very high92.9Very high60 Ų6048.8 Ų48.850%0.49626%0.255SS..Hα-helixtrans-63.5-34.318000000112.6E511 N517E511-A513 PolarHBondContact O-N 3.11Å; A513-N517 VanDerWaalsContact O-CG 3.25Å; A513-N517 PolarHBondContact O-N 2.93Å; A513-N517 PolarHBondContact O-ND2 3.23Å
514V89.6Confident92.8Very high24 Ų2455.1 Ų55.115%0.14528%0.284CS..Hα-helixtrans-72.8-40.61751800000110Q483 E511 Q512 N517 M518Q483-V514 HydrophobicContact CB-CG1 4.41Å; Q483-V514 HydrophobicContact CG-CG1 4.29Å; E511-V514 HydrophobicContact CB-CB 4.32Å; E511-V514 HydrophobicContact CB-CG2 3.96Å; E511-V514 WeakPolarHBondContact O-CB 3.47Å; E511-V514 PolarHBondContact O-N 2.91Å; Q512-V514 VanDerWaalsContact C-N 3.28Å; Q512-V514 PolarHBondContact O-N 2.93Å; V514-N517 PolarHBondContact O-N 3.48Å; V514-M518 VanDerWaalsContact O-CB 3.29Å; V514-M518 WeakPolarHBondContact O-CB 3.3Å; V514-M518 PolarHBondContact O-N 2.91Å
515T93.1Very high92.5Very high1 Ų160.1 Ų60.11%0.00631%0.307CS..Hα-helixtrans-58.7-49.7176.5-55.70000111I506 E511 Q512 N517 M518 I519 Y543I506-T515 HydrophobicContact CD1-CG2 3.71Å; I506-T515 HydrophobicContact CG1-CG2 4.19Å; E511-T515 PolarHBondContact O-N 3.23Å; E511-T515 PolarHBondContact O-OG1 3.4Å; Q512-T515 WeakPolarHBondContact O-CB 3.36Å; Q512-T515 PolarHBondContact O-N 3.04Å; Q512-T515 VanDerWaalsContact O-N 3.16Å; T515-N517 VanDerWaalsContact C-N 3.34Å; T515-N517 PolarHBondContact O-N 2.82Å; T515-M518 HydrophobicContact CG2-CE 4.36Å; T515-M518 WeakPolarHBondContact O-CB 3.29Å; T515-M518 PolarHBondContact O-N 3.4Å; T515-I519 HydrophobicContact CG2-CD1 3.79Å; T515-I519 HydrophobicContact CG2-CG1 4.49Å; T515-I519 WeakPolarHBondContact O-CG1 3.48Å; T515-I519 PolarHBondContact O-N 3.29Å; T515-Y543 HydrophobicContact CG2-CE1 4.28Å; T515-Y543 PolarHBondContact N-OH 3.5Å; T515-Y543 WeakPolarHBondContact OG1-CE1 3.4Å; T515-Y543 PolarHBondContact OG1-OH 3.22Å
516D93.6Very high92.3Very high70 Ų7062.2 Ų62.237%0.37432%0.315SS..Hα-helixtrans-61.5-42.3-179.9-64.5-14.6000111.5Q512 N520Q512-D516 PolarHBondContact NE2-OD1 3.38Å; Q512-D516 VanDerWaalsContact O-CG 3.25Å; Q512-D516 PolarHBondContact O-N 3.42Å; D516-N520 WeakPolarHBondContact O-CB 3.36Å; D516-N520 VanDerWaalsContact O-CG 3.29Å; D516-N520 PolarHBondContact O-N 3.36Å; D516-N520 VanDerWaalsContact O-N 3.08Å; D516-N520 PolarHBondContact O-ND2 3.1Å
517N92.1Very high92Very high92 Ų9266.4 Ų66.449%0.49234%0.343SS..Hα-helixtrans-66.7-39.1177.7-73.7-32000112.3L484 A513 V514 T515 W521L484-N517 HydrophobicContact CD2-CB 4.41Å; A513-N517 VanDerWaalsContact O-CG 3.25Å; A513-N517 PolarHBondContact O-N 2.93Å; A513-N517 PolarHBondContact O-ND2 3.23Å; V514-N517 PolarHBondContact O-N 3.48Å; T515-N517 VanDerWaalsContact C-N 3.34Å; T515-N517 PolarHBondContact O-N 2.82Å; N517-W521 WeakPolarHBondContact O-CB 3.29Å; N517-W521 PolarHBondContact O-N 3.35Å; N517-W521 VanDerWaalsContact O-N 3.09Å
518M92.5Very high91.8Very high0 Ų073.7 Ų73.70%038%0.381CS..Hα-helixtrans-63-48.7176174.5-171.477.200111L484 V487 V504 V514 T515 W521 I522 Y543 F545L484-M518 HydrophobicContact CD1-CB 4.04Å; V487-M518 HydrophobicContact CB-SD 4.43Å; V487-M518 HydrophobicContact CG1-CG 3.78Å; V487-M518 HydrophobicContact CG1-SD 3.63Å; V487-M518 HydrophobicContact CG2-SD 4.21Å; V504-M518 HydrophobicContact CG1-CE 3.58Å; V514-M518 VanDerWaalsContact O-CB 3.29Å; V514-M518 WeakPolarHBondContact O-CB 3.3Å; V514-M518 PolarHBondContact O-N 2.91Å; T515-M518 HydrophobicContact CG2-CE 4.36Å; T515-M518 WeakPolarHBondContact O-CB 3.29Å; T515-M518 PolarHBondContact O-N 3.4Å; M518-W521 WeakPolarHBondContact O-CB 3.45Å; M518-W521 PolarHBondContact O-N 2.68Å; M518-I522 HydrophobicContact CG-CD1 3.9Å; M518-I522 VanDerWaalsContact O-CG1 3.26Å; M518-I522 WeakPolarHBondContact O-CG1 3.36Å; M518-I522 PolarHBondContact O-N 2.95Å; M518-Y543 HydrophobicContact CE-CD1 3.97Å; M518-Y543 HydrophobicContact CE-CE1 3.84Å; M518-Y543 HydrophobicContact CE-CG 4.5Å; M518-Y543 HydrophobicContact SD-CD1 4.44Å; M518-Y543 HydrophobicContact SD-CD2 4.32Å; M518-Y543 HydrophobicContact SD-CE1 4.38Å; M518-Y543 HydrophobicContact SD-CE2 4.23Å; M518-Y543 HydrophobicContact SD-CG 4.43Å; M518-F545 HydrophobicContact CE-CE1 4.28Å; M518-F545 HydrophobicContact SD-CE1 3.97Å; M518-F545 HydrophobicContact SD-CZ 3.83Å
519I93.4Very high91.8Very high30 Ų3068.9 Ų68.915%0.15436%0.36CS..Hα-helixtrans-60.4-48.9179.1-66.2163000110.8T515 W521 I522 E523 V533T515-I519 HydrophobicContact CG2-CD1 3.79Å; T515-I519 HydrophobicContact CG2-CG1 4.49Å; T515-I519 WeakPolarHBondContact O-CG1 3.48Å; T515-I519 PolarHBondContact O-N 3.29Å; I519-W521 PolarHBondContact O-N 2.82Å; I519-I522 PolarHBondContact O-N 3.17Å; I519-I522 VanDerWaalsContact O-N 3.09Å; I519-E523 HydrophobicContact CG2-CG 4.41Å; I519-E523 PolarHBondContact O-N 2.71Å; I519-V533 HydrophobicContact CD1-CG1 4.22Å; I519-V533 HydrophobicContact CD1-CG2 3.79Å; I519-V533 HydrophobicContact CG1-CG2 4.15Å
520N93.5Very high91.9Very high95 Ų9570.3 Ų70.351%0.50836%0.363SS..Hα-helixtrans-57.1-39.1177.3-73.7-47.8000112.2D516 E524D516-N520 WeakPolarHBondContact O-CB 3.36Å; D516-N520 VanDerWaalsContact O-CG 3.29Å; D516-N520 PolarHBondContact O-N 3.36Å; D516-N520 VanDerWaalsContact O-N 3.08Å; D516-N520 PolarHBondContact O-ND2 3.1Å; N520-E524 WeakPolarHBondContact O-CB 3.34Å; N520-E524 PolarHBondContact O-N 2.85Å; N520-E524 VanDerWaalsContact O-N 3.16Å
521W93.1Very high92Very high53 Ų5371 Ų7120%0.20137%0.365CS..Hα-helixtrans-67.1-41.6176.817785.7000112.1T488 L491 N517 M518 I519 E524 Q525 Y526T488-W521 HydrophobicContact CG2-CD2 3.48Å; T488-W521 VanDerWaalsContact CG2-CD2 3.48Å; T488-W521 HydrophobicContact CG2-CE3 3.72Å; T488-W521 HydrophobicContact CG2-CG 4.1Å; T488-W521 HydrophobicContact CG2-CH2 3.83Å; T488-W521 HydrophobicContact CG2-CZ2 3.59Å; T488-W521 HydrophobicContact CG2-CZ3 3.9Å; L491-W521 HydrophobicContact CB-CZ3 4.13Å; L491-W521 HydrophobicContact CD1-CZ3 4.11Å; N517-W521 WeakPolarHBondContact O-CB 3.29Å; N517-W521 PolarHBondContact O-N 3.35Å; N517-W521 VanDerWaalsContact O-N 3.09Å; M518-W521 WeakPolarHBondContact O-CB 3.45Å; M518-W521 PolarHBondContact O-N 2.68Å; I519-W521 PolarHBondContact O-N 2.82Å; W521-E524 PolarHBondContact O-N 2.98Å; W521-Q525 HydrophobicContact CD2-CG 4.06Å; W521-Q525 HydrophobicContact CG-CG 4.42Å; W521-Q525 HydrophobicContact CH2-CG 4.43Å; W521-Q525 HydrophobicContact CZ2-CB 4.44Å; W521-Q525 HydrophobicContact CZ2-CG 3.75Å; W521-Q525 WeakPolarHBondContact O-CG 3.47Å; W521-Q525 PolarHBondContact O-N 3.13Å; W521-Y526 AromaticContact CH2-CE2 3.93Å; W521-Y526 HydrophobicContact CH2-CE2 3.93Å; W521-Y526 HydrophobicContact CZ3-CE2 4.06Å
522I91.2Very high92.1Very high0 Ų068.7 Ų68.70%036%0.355CS..Hα-helixtrans-60.9-50.8177.6-65.1161.4000109.9L491 L502 M518 I519 E524 Q525 Y526 V531L491-I522 HydrophobicContact CD1-CD1 3.61Å; L491-I522 HydrophobicContact CD1-CG1 3.64Å; L502-I522 HydrophobicContact CD2-CD1 3.75Å; L502-I522 HydrophobicContact CD2-CG1 4.27Å; L502-I522 HydrophobicContact CD2-CG2 3.68Å; M518-I522 HydrophobicContact CG-CD1 3.9Å; M518-I522 VanDerWaalsContact O-CG1 3.26Å; M518-I522 WeakPolarHBondContact O-CG1 3.36Å; M518-I522 PolarHBondContact O-N 2.95Å; I519-I522 PolarHBondContact O-N 3.17Å; I519-I522 VanDerWaalsContact O-N 3.09Å; I522-E524 PolarHBondContact O-N 2.94Å; I522-Q525 PolarHBondContact O-N 3.39Å; I522-Y526 PolarHBondContact O-N 2.86Å; I522-V531 HydrophobicContact CG2-CG2 3.53Å
523E90.9Very high92.3Very high110 Ų11066.3 Ų66.351%0.51435%0.347SS..Hα-helixtrans-61.7-31.6-179.5-68.4-178.6163.500112.5I519I519-E523 HydrophobicContact CG2-CG 4.41Å; I519-E523 PolarHBondContact O-N 2.71Å
524E92.8Very high92.5Very high149 Ų14966.9 Ų66.970%0.69634%0.34SS*.Hα-helixtrans-75.6-41176.5-173.9176.9-171.200112.8N520 W521 I522N520-E524 WeakPolarHBondContact O-CB 3.34Å; N520-E524 PolarHBondContact O-N 2.85Å; N520-E524 VanDerWaalsContact O-N 3.16Å; W521-E524 PolarHBondContact O-N 2.98Å; I522-E524 PolarHBondContact O-N 2.94Å
525Q90.7Very high92.7Very high105 Ų10571.1 Ų71.149%0.49136%0.358SS..Hα-helixtrans-83.2-32-177.1-66.4-52.8-70.200113.4W521 I522 P527W521-Q525 HydrophobicContact CD2-CG 4.06Å; W521-Q525 HydrophobicContact CG-CG 4.42Å; W521-Q525 HydrophobicContact CH2-CG 4.43Å; W521-Q525 HydrophobicContact CZ2-CB 4.44Å; W521-Q525 HydrophobicContact CZ2-CG 3.75Å; W521-Q525 WeakPolarHBondContact O-CG 3.47Å; W521-Q525 PolarHBondContact O-N 3.13Å; I522-Q525 PolarHBondContact O-N 3.39Å; Q525-P527 VanDerWaalsContact C-CD 3.43Å; Q525-P527 WeakPolarHBondContact O-CD 3.48Å
526Y91.3Very high92.7Very high46 Ų4671.1 Ų71.118%0.1836%0.358CS..  trans-126.364.3-174.4-57.7-81.4000111N492 L495 W521 I522 D528 V529N492-Y526 WeakPolarHBondContact CA-OH 3.31Å; N492-Y526 PolarHBondContact OD1-OH 2.84Å; L495-Y526 HydrophobicContact CB-CD1 4.22Å; L495-Y526 HydrophobicContact CB-CE1 3.77Å; L495-Y526 HydrophobicContact CD1-CD1 4.01Å; L495-Y526 HydrophobicContact CD1-CD2 3.54Å; L495-Y526 HydrophobicContact CD1-CE1 3.96Å; L495-Y526 HydrophobicContact CD1-CE2 3.51Å; L495-Y526 HydrophobicContact CD1-CG 3.79Å; W521-Y526 AromaticContact CH2-CE2 3.93Å; W521-Y526 HydrophobicContact CH2-CE2 3.93Å; W521-Y526 HydrophobicContact CZ3-CE2 4.06Å; I522-Y526 PolarHBondContact O-N 2.86Å; Y526-D528 PolarHBondContact O-N 3.08Å; Y526-D528 VanDerWaalsContact O-N 3.12Å; Y526-V529 PolarHBondContact O-N 3.35Å; Y526-V529 VanDerWaalsContact O-N 3.13Å
527P89.7Confident92.6Very high95 Ų9569 Ų6962%0.61735%0.352SS*.THydrogen-bonded Turntrans-66.7-15.8-174.228.6-37.3000114.2Q525Q525-P527 VanDerWaalsContact C-CD 3.43Å; Q525-P527 WeakPolarHBondContact O-CD 3.48Å
528D90.9Very high92.6Very high155 Ų15564.6 Ų64.683%0.82933%0.329SS*.THydrogen-bonded Turntrans-92.2-8.2179.5-62.7-43.6000112.8Y526Y526-D528 PolarHBondContact O-N 3.08Å; Y526-D528 VanDerWaalsContact O-N 3.12Å
529V93Very high92.4Very high18 Ų1866.4 Ų66.411%0.10934%0.341CS..SBendtrans-94.4129.7179.3179.40000109.8L495 L502 Y526L495-V529 HydrophobicContact CD2-CG1 4.28Å; L495-V529 HydrophobicContact CD2-CG2 4.44Å; L502-V529 HydrophobicContact CB-CG1 3.81Å; Y526-V529 PolarHBondContact O-N 3.35Å; Y526-V529 VanDerWaalsContact O-N 3.13Å
530E93.3Very high92.1Very high121 Ų12166 Ų6657%0.56534%0.338SS*.EExtended strand (participates in β ladder)trans-76.3125.4172.9-176.9166.6-171.300110.2E500 I501 L502E500-E530 PolarHBondContact O-N 2.97Å; I501-E530 WeakPolarHBondContact CA-O 3.45Å; I501-E530 HydrophobicContact CG1-CB 4.43Å; L502-E530 PolarHBondContact N-O 2.95Å
531V93.9Very high92.1Very high34 Ų3461.9 Ų61.921%0.20632%0.316CS..EExtended strand (participates in β ladder)trans-104.3116.7-178.6-174.10000110.1L502 V504 I522 V533L502-V531 WeakPolarHBondContact O-CA 3.47Å; V504-V531 HydrophobicContact CG2-CG1 4.37Å; I522-V531 HydrophobicContact CG2-CG2 3.53Å; V531-V533 HydrophobicContact CG1-CG2 4.11Å
532E93.7Very high92.1Very high77 Ų7759.9 Ų59.936%0.3631%0.309SS..EExtended strand (participates in β ladder)trans-106137172.8-65.9-169.5151.400110.2L502 T503 V504 H534L502-E532 PolarHBondContact O-N 3.15Å; T503-E532 CarbonylContact C-O 3.6Å; T503-E532 WeakPolarHBondContact CA-O 3.41Å; T503-E532 HydrophobicContact CG2-CB 4.29Å; V504-E532 PolarHBondContact N-O 3.34Å; E532-H534 IonicContact OE2-NE2 2.84Å
533V94.7Very high92.4Very high58 Ų5859.9 Ų59.935%0.35231%0.309SS..EExtended strand (participates in β ladder)trans-128.2126.5-176.8-173.60000109.9V504 I506 I519 V531V504-V533 HydrophobicContact CB-CG2 4.34Å; V504-V533 WeakPolarHBondContact O-CA 3.32Å; I506-V533 HydrophobicContact CD1-CG1 3.55Å; I506-V533 HydrophobicContact CG1-CG1 4.1Å; I519-V533 HydrophobicContact CD1-CG1 4.22Å; I519-V533 HydrophobicContact CD1-CG2 3.79Å; I519-V533 HydrophobicContact CG1-CG2 4.15Å; V531-V533 HydrophobicContact CG1-CG2 4.11Å
534H94.7Very high92.6Very high72 Ų7255.4 Ų55.433%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-128.3142.6179.4-61-81000111.7I347 V504 I505 I506 E532 G536I347-H534 HydrophobicContact CD1-CB 3.84Å; V504-H534 PolarHBondContact O-N 3.49Å; I505-H534 CarbonylContact C-O 3.58Å; I505-H534 WeakPolarHBondContact CA-O 3.49Å; I506-H534 PolarHBondContact N-O 2.83Å; E532-H534 IonicContact OE2-NE2 2.84Å; H534-G536 PolarHBondContact O-N 3.28Å
535E94.3Very high92.8Very high113 Ų11348.3 Ų48.353%0.52825%0.254SS..EExtended strand (participates in β ladder)trans-74.7118.6165.2-66.3-61.8159.500109G343 I506G343-E535 CarbonylContact C-O 3.48Å; G343-E535 VanDerWaalsContact CA-O 3.26Å; G343-E535 WeakPolarHBondContact CA-O 3.39Å; I506-E535 WeakPolarHBondContact CD1-OE1 3.44Å
536G93.7Very high93Very high0 Ų043.5 Ų43.50%023%0.233CC..  trans-100.8-41.6176.600000113.1G341 G343 I344 I506 H534 Q538G341-G536 CarbonylContact C-O 3.54Å; G341-G536 WeakPolarHBondContact CA-O 3.25Å; G343-G536 WeakPolarHBondContact CA-O 3.26Å; G343-G536 PolarHBondContact N-O 3.31Å; I344-G536 PolarHBondContact N-O 2.98Å; I506-G536 CarbonylContact O-C 3.48Å; I506-G536 VanDerWaalsContact O-CA 3.29Å; I506-G536 WeakPolarHBondContact O-CA 3.44Å; I506-G536 PolarHBondContact O-N 3.25Å; H534-G536 PolarHBondContact O-N 3.28Å; G536-Q538 VanDerWaalsContact C-N 3.27Å; G536-Q538 PolarHBondContact O-N 3.5Å
537G92.1Very high93.1Very high25 Ų2541.6 Ų41.626%0.25823%0.226SC..  trans69.920.8-179.700000113.8G341 I506G341-G537 VanDerWaalsContact CA-O 3.27Å; G341-G537 WeakPolarHBondContact CA-O 3.43Å; I506-G537 PolarHBondContact O-N 2.96Å
538Q91.3Very high93.1Very high0 Ų042.2 Ų42.20%022%0.22CC..  trans-68.3143.1173.566.7-80.22.600111.5M340 I344 I505 I506 G507 Q508 G536 Y541 F544M340-Q538 HydrophobicContact CG-CB 3.75Å; M340-Q538 HydrophobicContact SD-CB 4.39Å; I344-Q538 HydrophobicContact CD1-CB 4.01Å; I344-Q538 HydrophobicContact CD1-CG 4.39Å; I505-Q538 PolarHBondContact O-NE2 2.98Å; I506-Q538 PolarHBondContact O-OE1 2.96Å; G507-Q538 VanDerWaalsContact CA-CD 3.45Å; G507-Q538 VanDerWaalsContact CA-NE2 3.33Å; G507-Q538 WeakPolarHBondContact CA-O 3.46Å; Q508-Q538 PolarHBondContact N-O 3.03Å; G536-Q538 VanDerWaalsContact C-N 3.27Å; G536-Q538 PolarHBondContact O-N 3.5Å; Q538-Y541 WeakPolarHBondContact CG-O 3.32Å; Q538-Y541 PolarHBondContact NE2-O 3.09Å; Q538-F544 HydrophobicContact CB-CE2 4.08Å; Q538-F544 HydrophobicContact CG-CD2 4.08Å; Q538-F544 HydrophobicContact CG-CE2 3.53Å; Q538-F544 HydrophobicContact CG-CZ 3.97Å
539P87.9Confident93.2Very high39 Ų3936.6 Ų36.625%0.25319%0.19SC..SBendtrans-77.2165.3170.534-36.5000111.5M340 Y541M340-P539 HydrophobicContact SD-CG 4.16Å; P539-Y541 PolarHBondContact O-N 3.34Å
540I87.2Confident93.2Very high20 Ų2037.5 Ų37.510%0.10319%0.194CC..SBendtrans68.9-37.9171.8-61.7165.3000114.9P37 T362 T450 Y451 Q542P37-I540 HydrophobicContact CB-CD1 4.34Å; P37-I540 HydrophobicContact CB-CG1 4.44Å; P37-I540 HydrophobicContact CB-CG2 4.08Å; P37-I540 HydrophobicContact CG-CG2 3.73Å; T362-I540 HydrophobicContact CG2-CD1 3.8Å; T450-I540 PolarHBondContact OG1-O 3.26Å; Y451-I540 HydrophobicContact CE1-CG2 4.47Å; I540-Q542 PolarHBondContact O-NE2 3.16Å
541Y92.6Very high93.2Very high9 Ų932.9 Ų32.94%0.03517%0.173CC..  trans-104.6114-178.9-63.8-93.9000109.9D38 Q361 L449 T450 G507 Q538 P539 Y543 F544D38-Y541 PolarHBondContact OD2-OH 2.94Å; D38-Y541 VanDerWaalsContact OD2-OH 3.12Å; Q361-Y541 HydrophobicContact CB-CE2 4.29Å; Q361-Y541 HydrophobicContact CG-CE2 3.53Å; L449-Y541 CarbonylContact O-C 3.48Å; L449-Y541 VanDerWaalsContact O-CA 3.25Å; L449-Y541 WeakPolarHBondContact O-CA 3.43Å; T450-Y541 HydrophobicContact CG2-CD1 4.4Å; T450-Y541 HydrophobicContact CG2-CE1 4.12Å; G507-Y541 WeakPolarHBondContact CA-O 3.49Å; Q538-Y541 WeakPolarHBondContact CG-O 3.32Å; Q538-Y541 PolarHBondContact NE2-O 3.09Å; P539-Y541 PolarHBondContact O-N 3.34Å; Y541-Y543 VanDerWaalsContact C-N 3.27Å; Y541-Y543 PolarHBondContact O-N 3.05Å; Y541-F544 HydrophobicContact CD1-CD1 4.44Å; Y541-F544 AromaticContact CD1-CE1 3.62Å; Y541-F544 HydrophobicContact CD1-CE1 3.62Å; Y541-F544 HydrophobicContact CD1-CZ 4.38Å; Y541-F544 HydrophobicContact CD2-CE1 4.06Å; Y541-F544 AromaticContact CD2-CZ 3.99Å; Y541-F544 HydrophobicContact CD2-CZ 3.99Å; Y541-F544 HydrophobicContact CE1-CE1 4.32Å; Y541-F544 HydrophobicContact CG-CD1 4.43Å; Y541-F544 AromaticContact CG-CE1 3.44Å; Y541-F544 HydrophobicContact CG-CE1 3.44Å; Y541-F544 VanDerWaalsContact CG-CE1 3.44Å; Y541-F544 AromaticContact CG-CZ 3.79Å; Y541-F544 HydrophobicContact CG-CZ 3.79Å
542Q94.4Very high93.2Very high11 Ų1132.8 Ų32.85%0.05117%0.171CC..SBendtrans-67.2-33.8-179.5-67.672.332.100111.1L449 T450 G507 I540L449-Q542 HydrophobicContact CD2-CB 4.18Å; L449-Q542 PolarHBondContact O-N 3.2Å; L449-Q542 PolarHBondContact O-OE1 3.08Å; T450-Q542 VanDerWaalsContact CA-OE1 3.29Å; G507-Q542 PolarHBondContact N-O 3.09Å; I540-Q542 PolarHBondContact O-NE2 3.16Å
543Y96.2Very high93.1Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-145.9143.4176.6-53.2-78.2000111.3S448 L449 V487 V504 I505 I506 A510 T515 M518 Y541 F545S448-Y543 WeakPolarHBondContact CA-O 3.46Å; L449-Y543 HydrophobicContact CB-CD2 4.23Å; L449-Y543 HydrophobicContact CD2-CD2 3.65Å; L449-Y543 HydrophobicContact CD2-CE2 4.03Å; L449-Y543 PolarHBondContact N-O 3.01Å; V487-Y543 HydrophobicContact CG2-CD2 4.4Å; V504-Y543 HydrophobicContact CG1-CD1 4.11Å; I505-Y543 CarbonylContact O-C 3.6Å; I505-Y543 WeakPolarHBondContact O-CA 3.44Å; I506-Y543 HydrophobicContact CG1-CD1 4.37Å; I506-Y543 HydrophobicContact CG1-CE1 4.33Å; I506-Y543 HydrophobicContact CG2-CE1 4.34Å; A510-Y543 HydrophobicContact CB-CE1 3.92Å; T515-Y543 HydrophobicContact CG2-CE1 4.28Å; T515-Y543 PolarHBondContact N-OH 3.5Å; T515-Y543 WeakPolarHBondContact OG1-CE1 3.4Å; T515-Y543 PolarHBondContact OG1-OH 3.22Å; M518-Y543 HydrophobicContact CE-CD1 3.97Å; M518-Y543 HydrophobicContact CE-CE1 3.84Å; M518-Y543 HydrophobicContact CE-CG 4.5Å; M518-Y543 HydrophobicContact SD-CD1 4.44Å; M518-Y543 HydrophobicContact SD-CD2 4.32Å; M518-Y543 HydrophobicContact SD-CE1 4.38Å; M518-Y543 HydrophobicContact SD-CE2 4.23Å; M518-Y543 HydrophobicContact SD-CG 4.43Å; Y541-Y543 VanDerWaalsContact C-N 3.27Å; Y541-Y543 PolarHBondContact O-N 3.05Å; Y543-F545 VanDerWaalsContact CB-CZ 3.49Å; Y543-F545 HydrophobicContact CD2-CZ 4.31Å; Y543-F545 HydrophobicContact CG-CE2 4.47Å; Y543-F545 AromaticContact CG-CZ 3.97Å; Y543-F545 HydrophobicContact CG-CZ 3.97Å
544F95.9Very high93Very high16 Ų1628.2 Ų28.27%0.0715%0.147CC..EExtended strand (participates in β ladder)trans-105.8148154.3-59.7-47.9000109.7I344 I414 G447 I505 Q538 Y541I344-F544 HydrophobicContact CD1-CD2 4.04Å; I344-F544 HydrophobicContact CD1-CE2 3.93Å; I414-F544 HydrophobicContact CB-CD2 4.36Å; I414-F544 HydrophobicContact CG1-CD2 4.35Å; I414-F544 HydrophobicContact CG1-CE2 4.03Å; G447-F544 WeakPolarHBondContact O-CA 3.48Å; I505-F544 HydrophobicContact CB-CB 4.16Å; I505-F544 PolarHBondContact N-O 2.81Å; I505-F544 PolarHBondContact O-N 3.43Å; Q538-F544 HydrophobicContact CB-CE2 4.08Å; Q538-F544 HydrophobicContact CG-CD2 4.08Å; Q538-F544 HydrophobicContact CG-CE2 3.53Å; Q538-F544 HydrophobicContact CG-CZ 3.97Å; Y541-F544 HydrophobicContact CD1-CD1 4.44Å; Y541-F544 AromaticContact CD1-CE1 3.62Å; Y541-F544 HydrophobicContact CD1-CE1 3.62Å; Y541-F544 HydrophobicContact CD1-CZ 4.38Å; Y541-F544 HydrophobicContact CD2-CE1 4.06Å; Y541-F544 AromaticContact CD2-CZ 3.99Å; Y541-F544 HydrophobicContact CD2-CZ 3.99Å; Y541-F544 HydrophobicContact CE1-CE1 4.32Å; Y541-F544 HydrophobicContact CG-CD1 4.43Å; Y541-F544 AromaticContact CG-CE1 3.44Å; Y541-F544 HydrophobicContact CG-CE1 3.44Å; Y541-F544 VanDerWaalsContact CG-CE1 3.44Å; Y541-F544 AromaticContact CG-CZ 3.79Å; Y541-F544 HydrophobicContact CG-CZ 3.79Å
545F96.3Very high92.9Very high0 Ų025.1 Ų25.10%013%0.134CC..EExtended strand (participates in β ladder)trans-124.6137.3177.5-58.2-78.4000109.5G447 L449 V487 L490 L491 M494 L502 T503 V504 M518 Y543G447-F545 PolarHBondContact N-O 3.01Å; G447-F545 PolarHBondContact O-N 2.9Å; L449-F545 HydrophobicContact CB-CE2 4.42Å; V487-F545 HydrophobicContact CG1-CE1 4.48Å; V487-F545 HydrophobicContact CG1-CE2 4.45Å; V487-F545 HydrophobicContact CG1-CZ 3.82Å; V487-F545 HydrophobicContact CG2-CZ 4.35Å; L490-F545 HydrophobicContact CD2-CD2 3.78Å; L490-F545 HydrophobicContact CD2-CE2 3.84Å; L491-F545 HydrophobicContact CD1-CE1 4.42Å; L491-F545 HydrophobicContact CD2-CB 4.49Å; L491-F545 HydrophobicContact CD2-CD1 3.9Å; L491-F545 HydrophobicContact CD2-CE1 4.22Å; L491-F545 HydrophobicContact CD2-CG 4.05Å; M494-F545 HydrophobicContact CE-CB 3.94Å; M494-F545 HydrophobicContact SD-CB 4.11Å; L502-F545 HydrophobicContact CD1-CB 4.32Å; L502-F545 HydrophobicContact CD1-CD1 4.28Å; T503-F545 CarbonylContact O-C 3.6Å; T503-F545 VanDerWaalsContact O-CA 3.31Å; T503-F545 WeakPolarHBondContact O-CA 3.47Å; V504-F545 HydrophobicContact CB-CD1 4.48Å; V504-F545 HydrophobicContact CB-CE1 4.47Å; V504-F545 HydrophobicContact CG1-CD1 4.35Å; V504-F545 HydrophobicContact CG1-CE1 3.94Å; V504-F545 HydrophobicContact CG2-CD1 3.99Å; V504-F545 HydrophobicContact CG2-CE1 4.01Å; M518-F545 HydrophobicContact CE-CE1 4.28Å; M518-F545 HydrophobicContact SD-CE1 3.97Å; M518-F545 HydrophobicContact SD-CZ 3.83Å; Y543-F545 VanDerWaalsContact CB-CZ 3.49Å; Y543-F545 HydrophobicContact CD2-CZ 4.31Å; Y543-F545 HydrophobicContact CG-CE2 4.47Å; Y543-F545 AromaticContact CG-CZ 3.97Å; Y543-F545 HydrophobicContact CG-CZ 3.97Å
546S95.2Very high92.8Very high5 Ų518.3 Ų18.34%0.03510%0.103CC..EExtended strand (participates in β ladder)trans-115.3126.3166.5-162.40000107.7V444 L502 T503V444-S546 VanDerWaalsContact CG1-OG 3.25Å; V444-S546 WeakPolarHBondContact CG1-OG 3.19Å; L502-S546 CarbonylContact C-O 3.43Å; L502-S546 WeakPolarHBondContact CA-O 3.46Å; T503-S546 PolarHBondContact N-O 3.36Å; T503-S546 PolarHBondContact O-N 2.88Å
547V94.1Very high92.7Very high6 Ų619.8 Ų19.84%0.03611%0.112CC..EExtended strand (participates in β ladder)trans-116.3127.5168.2173.90000108.2K445 M494 L495 S499 L502K445-V547 HydrophobicContact CB-CB 4.3Å; K445-V547 PolarHBondContact N-O 3.2Å; K445-V547 PolarHBondContact O-N 2.85Å; M494-V547 HydrophobicContact CB-CG2 4.15Å; M494-V547 HydrophobicContact CE-CB 4.37Å; M494-V547 HydrophobicContact CE-CG2 3.85Å; L495-V547 HydrophobicContact CD2-CG1 3.94Å; L495-V547 HydrophobicContact CD2-CG2 3.71Å; L495-V547 HydrophobicContact CG-CG2 4.27Å; S499-V547 VanDerWaalsContact OG-CG1 3.31Å; S499-V547 WeakPolarHBondContact OG-CG1 3.4Å; L502-V547 HydrophobicContact CD1-CG2 3.49Å; L502-V547 VanDerWaalsContact CD1-CG2 3.49Å
548E89.2Confident92.8Very high107 Ų10719.4 Ų19.450%0.510%0.099SC..  trans-1190179.6-63.4-174.7-161.700111.8V444 E500 I501V444-E548 HydrophobicContact CG2-CG 4.21Å; E500-E548 PolarHBondContact N-O 2.99Å; I501-E548 PolarHBondContact N-O 2.92Å; I501-E548 PolarHBondContact O-N 3.12Å; I501-E548 VanDerWaalsContact O-N 3.14Å

Retrieved 548 of 548 residues in 223.5 ms (Link to these results)

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