A0A077Z4N7_TRITR Loading...

2-hydroxyacyl-CoA lyase 2

AlphaFold DB , UniProt , Accession A0A077Z4N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 639 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
1M59.6Low71Confident202 Ų202120.8 Ų120.8100%0.99563%0.633SS**  0-52.10-100.3175.675.700113.1M3 V4 S5M1-M3 PolarHBondContact O-N 3.02Å; M1-V4 PolarHBondContact O-N 3.13Å; M1-V4 VanDerWaalsContact O-N 3.12Å; M1-S5 PolarHBondContact O-N 3.48Å
2I71.7Confident71Confident136 Ų136116.3 Ų116.370%0.69762%0.618SS**Hα-helixtrans-57-42.5-175.6-62.2170.3000113.5V4 S5 L6I2-V4 VanDerWaalsContact C-N 3.35Å; I2-V4 PolarHBondContact O-N 2.97Å; I2-S5 PolarHBondContact O-N 3.16Å; I2-L6 HydrophobicContact CG2-CD1 3.73Å; I2-L6 PolarHBondContact O-N 2.98Å
3M65.5Low71.2Confident166 Ų166114.5 Ų114.582%0.81861%0.608SS**Hα-helixtrans-62.8-35.8177.1-85.3-171.180.300113.9M1 L7M1-M3 PolarHBondContact O-N 3.02Å; M3-L7 WeakPolarHBondContact O-CB 3.43Å; M3-L7 PolarHBondContact O-N 3.32Å
4V71Confident71.1Confident96 Ų96109.8 Ų109.858%0.58259%0.594SS**Hα-helixtrans-70.9-40.1179.31790000110.2M1 I2 L7 F8M1-V4 PolarHBondContact O-N 3.13Å; M1-V4 VanDerWaalsContact O-N 3.12Å; I2-V4 VanDerWaalsContact C-N 3.35Å; I2-V4 PolarHBondContact O-N 2.97Å; V4-L7 PolarHBondContact O-N 3.19Å; V4-F8 PolarHBondContact O-N 2.91Å
5S65.9Low71.1Confident66 Ų66109.7 Ų109.746%0.46259%0.591SS.*Hα-helixtrans-64.4-42.8174.5-59.60000112.2M1 I2 F8 I9M1-S5 PolarHBondContact O-N 3.48Å; I2-S5 PolarHBondContact O-N 3.16Å; S5-F8 PolarHBondContact O-N 2.91Å; S5-I9 VanDerWaalsContact O-CG1 3.26Å; S5-I9 WeakPolarHBondContact O-CG1 3.33Å; S5-I9 PolarHBondContact O-N 2.99Å
6L73.6Confident71.2Confident104 Ų104109.1 Ų109.155%0.54559%0.585SS.*Hα-helixtrans-62.9-43.8174.8-104.6118.7000111.8I2 F8 I9 T10I2-L6 HydrophobicContact CG2-CD1 3.73Å; I2-L6 PolarHBondContact O-N 2.98Å; L6-F8 PolarHBondContact O-N 2.87Å; L6-I9 PolarHBondContact O-N 3.4Å; L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.08Å; L6-T10 PolarHBondContact O-OG1 3.37Å
7L75.4Confident71.2Confident123 Ų123107.6 Ų107.664%0.64458%0.576SS**Hα-helixtrans-60.1-45.5176.7-159.783.5000111M3 V4 T10 L11M3-L7 WeakPolarHBondContact O-CB 3.43Å; M3-L7 PolarHBondContact O-N 3.32Å; V4-L7 PolarHBondContact O-N 3.19Å; L7-T10 WeakPolarHBondContact CA-OG1 3.48Å; L7-T10 PolarHBondContact O-N 3.04Å; L7-T10 PolarHBondContact O-OG1 3.05Å; L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 PolarHBondContact O-N 3.49Å
8F73.8Confident71Confident143 Ų143106.5 Ų106.563%0.62757%0.573SS**Hα-helixtrans-61.8-43.3176.4-115.8-88.8000112.9V4 S5 L6 S12V4-F8 PolarHBondContact O-N 2.91Å; S5-F8 PolarHBondContact O-N 2.91Å; L6-F8 PolarHBondContact O-N 2.87Å; F8-S12 VanDerWaalsContact O-CB 3.26Å; F8-S12 WeakPolarHBondContact O-CB 3.35Å; F8-S12 PolarHBondContact O-N 2.82Å; F8-S12 PolarHBondContact O-OG 3.04Å
9I77.8Confident70.6Confident112 Ų112105.6 Ų105.657%0.57456%0.564SS**Hα-helixtrans-64.6-46.8176.5-68.5165.5000110S5 L6 L11 S12 L13S5-I9 VanDerWaalsContact O-CG1 3.26Å; S5-I9 WeakPolarHBondContact O-CG1 3.33Å; S5-I9 PolarHBondContact O-N 2.99Å; L6-I9 PolarHBondContact O-N 3.4Å; I9-L11 PolarHBondContact O-N 3.48Å; I9-S12 PolarHBondContact O-N 2.96Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 PolarHBondContact O-N 3.38Å
10T73.1Confident70.4Confident76 Ų76103.9 Ų103.947%0.46655%0.554SS.*Hα-helixtrans-63.9-40.3178.851.40000112.7L6 L7 L13 A14L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.08Å; L6-T10 PolarHBondContact O-OG1 3.37Å; L7-T10 WeakPolarHBondContact CA-OG1 3.48Å; L7-T10 PolarHBondContact O-N 3.04Å; L7-T10 PolarHBondContact O-OG1 3.05Å; T10-L13 PolarHBondContact O-N 3.31Å; T10-A14 VanDerWaalsContact O-CB 3.23Å; T10-A14 WeakPolarHBondContact O-CB 3.5Å; T10-A14 PolarHBondContact O-N 3.02Å
11L74.3Confident70Confident105 Ų105102.7 Ų102.755%0.5555%0.551SS.*Hα-helixtrans-66.4-41.8175.8-167.473.1000110.8L7 I9 A14 I15L7-L11 WeakPolarHBondContact O-CB 3.32Å; L7-L11 PolarHBondContact O-N 3.49Å; I9-L11 PolarHBondContact O-N 3.48Å; L11-A14 PolarHBondContact O-N 3.18Å; L11-I15 HydrophobicContact CG-CD1 4.04Å; L11-I15 WeakPolarHBondContact O-CB 3.19Å; L11-I15 WeakPolarHBondContact O-CD1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 PolarHBondContact O-N 3.08Å
12S71Confident70.2Confident66 Ų6699.9 Ų99.946%0.46253%0.533SS..Hα-helixtrans-64.1-42.9176.7-57.60000111.5F8 I9 I15 M16F8-S12 VanDerWaalsContact O-CB 3.26Å; F8-S12 WeakPolarHBondContact O-CB 3.35Å; F8-S12 PolarHBondContact O-N 2.82Å; F8-S12 PolarHBondContact O-OG 3.04Å; I9-S12 PolarHBondContact O-N 2.96Å; S12-I15 PolarHBondContact O-N 2.84Å; S12-M16 VanDerWaalsContact O-CB 3.29Å; S12-M16 WeakPolarHBondContact O-CB 3.33Å; S12-M16 PolarHBondContact O-N 2.97Å
13L73.7Confident69.7Low93 Ų9393.8 Ų93.849%0.48750%0.502SS..Hα-helixtrans-66.5-41.6176.4-152.588.6000111.1I9 T10 M16 I17I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 PolarHBondContact O-N 3.38Å; T10-L13 PolarHBondContact O-N 3.31Å; L13-M16 HydrophobicContact CD1-CE 4.14Å; L13-M16 CarbonylContact O-C 3.57Å; L13-M16 PolarHBondContact O-N 3.48Å; L13-I17 HydrophobicContact CD2-CD1 4.1Å; L13-I17 HydrophobicContact CG-CD1 4.21Å; L13-I17 WeakPolarHBondContact O-CB 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.22Å; L13-I17 WeakPolarHBondContact O-CG1 3.33Å; L13-I17 PolarHBondContact O-N 3.43Å
14A69.4Low69.5Low49 Ų4991 Ų9141%0.40549%0.489SS..Hα-helixtrans-64.5-43.6176.700000111.8T10 L11 M16 I17 V18T10-A14 VanDerWaalsContact O-CB 3.23Å; T10-A14 WeakPolarHBondContact O-CB 3.5Å; T10-A14 PolarHBondContact O-N 3.02Å; L11-A14 PolarHBondContact O-N 3.18Å; A14-M16 VanDerWaalsContact C-N 3.32Å; A14-M16 PolarHBondContact O-N 3.12Å; A14-I17 PolarHBondContact O-N 3.41Å; A14-V18 WeakPolarHBondContact O-CB 3.47Å; A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.43Å; A14-V18 PolarHBondContact O-N 3.37Å
15I71.5Confident69Low109 Ų10991.7 Ų91.756%0.55949%0.494SS*.Hα-helixtrans-60.7-44.6173-69.2165000109.9L11 S12 V18 F19L11-I15 HydrophobicContact CG-CD1 4.04Å; L11-I15 WeakPolarHBondContact O-CB 3.19Å; L11-I15 WeakPolarHBondContact O-CD1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 PolarHBondContact O-N 3.08Å; S12-I15 PolarHBondContact O-N 2.84Å; I15-V18 PolarHBondContact O-N 3.32Å; I15-F19 WeakPolarHBondContact O-CB 3.49Å; I15-F19 PolarHBondContact O-N 3.16Å
16M71.7Confident68.8Low99 Ų9992.3 Ų92.349%0.48849%0.488SS..Hα-helixtrans-63.3-40.8177.5-167.1-173.979.600112.1S12 L13 A14 F19 L20S12-M16 VanDerWaalsContact O-CB 3.29Å; S12-M16 WeakPolarHBondContact O-CB 3.33Å; S12-M16 PolarHBondContact O-N 2.97Å; L13-M16 HydrophobicContact CD1-CE 4.14Å; L13-M16 CarbonylContact O-C 3.57Å; L13-M16 PolarHBondContact O-N 3.48Å; A14-M16 VanDerWaalsContact C-N 3.32Å; A14-M16 PolarHBondContact O-N 3.12Å; M16-F19 PolarHBondContact O-N 2.53Å; M16-L20 HydrophobicContact CE-CD1 4.16Å; M16-L20 HydrophobicContact CG-CD1 4.09Å; M16-L20 VanDerWaalsContact O-CB 3.31Å; M16-L20 WeakPolarHBondContact O-CB 3.43Å; M16-L20 PolarHBondContact O-N 3.47Å
17I71.2Confident68.2Low85 Ų8591.2 Ų91.244%0.43650%0.502SS..Hα-helixtrans-67.5-49.4177.1-71.2165000110.6L13 A14 F19 L20 V21L13-I17 HydrophobicContact CD2-CD1 4.1Å; L13-I17 HydrophobicContact CG-CD1 4.21Å; L13-I17 WeakPolarHBondContact O-CB 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.22Å; L13-I17 WeakPolarHBondContact O-CG1 3.33Å; L13-I17 PolarHBondContact O-N 3.43Å; A14-I17 PolarHBondContact O-N 3.41Å; I17-F19 PolarHBondContact O-N 3.35Å; I17-L20 CarbonylContact O-C 3.48Å; I17-L20 PolarHBondContact O-N 2.87Å; I17-L20 VanDerWaalsContact O-N 3.16Å; I17-V21 HydrophobicContact CG2-CG2 4.25Å; I17-V21 WeakPolarHBondContact O-CB 3.43Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.33Å; I17-V21 PolarHBondContact O-N 3.03Å
18V68.6Low67.8Low87 Ų8790.4 Ų90.453%0.52750%0.499SS..Hα-helixtrans-58.7-37.3176.7170.80000110.6A14 I15 K22A14-V18 WeakPolarHBondContact O-CB 3.47Å; A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.43Å; A14-V18 PolarHBondContact O-N 3.37Å; I15-V18 PolarHBondContact O-N 3.32Å; V18-K22 PolarHBondContact O-N 2.92Å
19F62.9Low67.7Low90 Ų9084.5 Ų84.540%0.39547%0.473SS..Hα-helixtrans-69.6-44.1176.1-170.5-111.9000112.6I15 M16 I17 K22 L23 F47I15-F19 WeakPolarHBondContact O-CB 3.49Å; I15-F19 PolarHBondContact O-N 3.16Å; M16-F19 PolarHBondContact O-N 2.53Å; I17-F19 PolarHBondContact O-N 3.35Å; F19-K22 PolarHBondContact O-N 3.04Å; F19-L23 HydrophobicContact CD1-CD1 3.67Å; F19-L23 HydrophobicContact CE1-CD1 3.61Å; F19-L23 HydrophobicContact CG-CD1 4.36Å; F19-L23 HydrophobicContact CZ-CD1 4.19Å; F19-L23 WeakPolarHBondContact O-CB 3.46Å; F19-L23 WeakPolarHBondContact O-CG 3.36Å; F19-L23 PolarHBondContact O-N 3.03Å; F19-F47 HydrophobicContact CD1-CD1 4.38Å; F19-F47 HydrophobicContact CD1-CE1 4.29Å; F19-F47 AromaticContact CE1-CD1 3.26Å; F19-F47 HydrophobicContact CE1-CD1 3.26Å; F19-F47 AromaticContact CE1-CE1 3.5Å; F19-F47 HydrophobicContact CE1-CE1 3.5Å; F19-F47 HydrophobicContact CE1-CG 4.15Å; F19-F47 HydrophobicContact CZ-CB 4.3Å; F19-F47 AromaticContact CZ-CD1 3.72Å; F19-F47 HydrophobicContact CZ-CD1 3.72Å; F19-F47 HydrophobicContact CZ-CE1 4.39Å; F19-F47 HydrophobicContact CZ-CG 4.29Å
20L65.5Low67.3Low71 Ų7183.4 Ų83.437%0.37248%0.475SS..Hα-helixtrans-60.2-42.6172.4-94.8153.8000111.9M16 I17 L23 L24M16-L20 HydrophobicContact CE-CD1 4.16Å; M16-L20 HydrophobicContact CG-CD1 4.09Å; M16-L20 VanDerWaalsContact O-CB 3.31Å; M16-L20 WeakPolarHBondContact O-CB 3.43Å; M16-L20 PolarHBondContact O-N 3.47Å; I17-L20 CarbonylContact O-C 3.48Å; I17-L20 PolarHBondContact O-N 2.87Å; I17-L20 VanDerWaalsContact O-N 3.16Å; L20-L23 WeakPolarHBondContact O-CB 3.16Å; L20-L23 PolarHBondContact O-N 2.56Å; L20-L24 WeakPolarHBondContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CD1 3.41Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 2.92Å
21V63.5Low67.5Low78 Ų7887.1 Ų87.147%0.47348%0.481SS..Hα-helixtrans-63.9-46.3176.31720000110.4I17 L23 L24 T25I17-V21 HydrophobicContact CG2-CG2 4.25Å; I17-V21 WeakPolarHBondContact O-CB 3.43Å; I17-V21 VanDerWaalsContact O-CG2 3.28Å; I17-V21 WeakPolarHBondContact O-CG2 3.33Å; I17-V21 PolarHBondContact O-N 3.03Å; V21-L23 VanDerWaalsContact C-N 3.26Å; V21-L23 PolarHBondContact O-N 3.22Å; V21-L24 PolarHBondContact O-N 2.9Å; V21-T25 WeakPolarHBondContact O-CG2 3.31Å; V21-T25 PolarHBondContact O-N 3.32Å; V21-T25 PolarHBondContact O-OG1 2.96Å
22K63.7Low67.5Low143 Ų14384.2 Ų84.262%0.62247%0.466SS*.Hα-helixtrans-59.1-38.5174-83.8-176.3175.6179.40112.5V18 F19 T25V18-K22 PolarHBondContact O-N 2.92Å; F19-K22 PolarHBondContact O-N 3.04Å; K22-T25 PolarHBondContact O-OG1 3.17Å
23L61.4Low67.8Low9 Ų985.2 Ų85.25%0.04747%0.465CS..Hα-helixtrans-66.8-45.7175.8-81.6163.7000111.8F19 L20 V21 T25 K26 F29 F47F19-L23 HydrophobicContact CD1-CD1 3.67Å; F19-L23 HydrophobicContact CE1-CD1 3.61Å; F19-L23 HydrophobicContact CG-CD1 4.36Å; F19-L23 HydrophobicContact CZ-CD1 4.19Å; F19-L23 WeakPolarHBondContact O-CB 3.46Å; F19-L23 WeakPolarHBondContact O-CG 3.36Å; F19-L23 PolarHBondContact O-N 3.03Å; L20-L23 WeakPolarHBondContact O-CB 3.16Å; L20-L23 PolarHBondContact O-N 2.56Å; V21-L23 VanDerWaalsContact C-N 3.26Å; V21-L23 PolarHBondContact O-N 3.22Å; L23-T25 VanDerWaalsContact C-N 3.27Å; L23-T25 PolarHBondContact O-N 3.25Å; L23-K26 PolarHBondContact O-N 3.06Å; L23-F29 HydrophobicContact CB-CD2 3.82Å; L23-F29 HydrophobicContact CB-CE2 3.49Å; L23-F29 VanDerWaalsContact CB-CE2 3.49Å; L23-F29 HydrophobicContact CB-CZ 4.09Å; L23-F29 HydrophobicContact CD1-CE2 4.4Å; L23-F29 HydrophobicContact CD2-CD2 4.3Å; L23-F29 HydrophobicContact CD2-CE2 4.06Å; L23-F29 HydrophobicContact CG-CE2 4.19Å; L23-F29 VanDerWaalsContact O-CB 3.29Å; L23-F29 WeakPolarHBondContact O-CB 3.41Å; L23-F29 VanDerWaalsContact O-CD2 3.29Å; L23-F29 WeakPolarHBondContact O-CD2 3.47Å; L23-F29 VanDerWaalsContact O-CG 3.3Å; L23-F29 WeakPolarHBondContact O-CG 3.37Å; L23-F47 HydrophobicContact CD1-CD1 3.83Å; L23-F47 HydrophobicContact CD1-CE1 3.92Å
24L60.2Low68Low106 Ų10683.8 Ų83.856%0.55546%0.46SS*.Hα-helixtrans-61.8-30.8178.7-75.7162.8000113L20 V21 K26 F29L20-L24 WeakPolarHBondContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CD1 3.41Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 2.9Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 3.32Å; L24-F29 HydrophobicContact CD2-CD1 3.59Å; L24-F29 HydrophobicContact CD2-CE1 3.5Å; L24-F29 HydrophobicContact CG-CD1 4.18Å; L24-F29 HydrophobicContact CG-CE1 3.98Å
25T61.3Low68.5Low111 Ų11182.9 Ų82.968%0.68145%0.448SS*.THydrogen-bonded Turntrans-74.1-7178.856.50000115.1V21 K22 L23V21-T25 WeakPolarHBondContact O-CG2 3.31Å; V21-T25 PolarHBondContact O-N 3.32Å; V21-T25 PolarHBondContact O-OG1 2.96Å; K22-T25 PolarHBondContact O-OG1 3.17Å; L23-T25 VanDerWaalsContact C-N 3.27Å; L23-T25 PolarHBondContact O-N 3.25Å
26K62.4Low68.9Low79 Ų7979.4 Ų79.434%0.34343%0.432SS..SBendtrans-88.3125.7178.8-71.6-176.7168.7-172.30110.3L23 L24 N28 F29 C49 D255L23-K26 PolarHBondContact O-N 3.06Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 3.32Å; K26-N28 PolarHBondContact O-N 3.15Å; K26-F29 WeakPolarHBondContact O-CB 3.35Å; K26-F29 PolarHBondContact O-N 3.4Å; K26-C49 PolarHBondContact NZ-SG 3.29Å; K26-D255 IonicContact NZ-OD1 3.04Å; K26-D255 PolarHBondContact NZ-OD1 3.49Å
27G59.7Low69.1Low81 Ų8179.2 Ų79.284%0.83544%0.441SS*.THydrogen-bonded Turntrans-55.8-10.1-168.500000118.3
28N68.2Low69.5Low106 Ų10681 Ų8157%0.56745%0.445SS*.THydrogen-bonded Turntrans-112.78.4176.4-71.5-22000113.9K26 S30 R31 N32K26-N28 PolarHBondContact O-N 3.15Å; N28-S30 PolarHBondContact O-N 2.86Å; N28-R31 PolarHBondContact O-N 3.5Å; N28-N32 WeakPolarHBondContact O-CB 3.34Å; N28-N32 PolarHBondContact O-N 3.47Å
29F70.4Confident69.8Low19 Ų1980.1 Ų80.18%0.08345%0.454CS..Hα-helixtrans-61.3-41.9-171.7-176-100.7000113.6L23 L24 K26 N32 L33 L46L23-F29 HydrophobicContact CB-CD2 3.82Å; L23-F29 HydrophobicContact CB-CE2 3.49Å; L23-F29 VanDerWaalsContact CB-CE2 3.49Å; L23-F29 HydrophobicContact CB-CZ 4.09Å; L23-F29 HydrophobicContact CD1-CE2 4.4Å; L23-F29 HydrophobicContact CD2-CD2 4.3Å; L23-F29 HydrophobicContact CD2-CE2 4.06Å; L23-F29 HydrophobicContact CG-CE2 4.19Å; L23-F29 VanDerWaalsContact O-CB 3.29Å; L23-F29 WeakPolarHBondContact O-CB 3.41Å; L23-F29 VanDerWaalsContact O-CD2 3.29Å; L23-F29 WeakPolarHBondContact O-CD2 3.47Å; L23-F29 VanDerWaalsContact O-CG 3.3Å; L23-F29 WeakPolarHBondContact O-CG 3.37Å; L24-F29 HydrophobicContact CD2-CD1 3.59Å; L24-F29 HydrophobicContact CD2-CE1 3.5Å; L24-F29 HydrophobicContact CG-CD1 4.18Å; L24-F29 HydrophobicContact CG-CE1 3.98Å; K26-F29 WeakPolarHBondContact O-CB 3.35Å; K26-F29 PolarHBondContact O-N 3.4Å; F29-N32 PolarHBondContact O-N 3.16Å; F29-L33 HydrophobicContact CE1-CD1 4.09Å; F29-L33 HydrophobicContact CE1-CD2 4.45Å; F29-L33 HydrophobicContact CE2-CD1 4.46Å; F29-L33 HydrophobicContact CZ-CD1 3.77Å; F29-L33 VanDerWaalsContact O-CB 3.3Å; F29-L33 WeakPolarHBondContact O-CB 3.26Å; F29-L33 PolarHBondContact O-N 3.1Å; F29-L46 HydrophobicContact CD2-CD1 3.8Å; F29-L46 HydrophobicContact CD2-CG 4.48Å; F29-L46 HydrophobicContact CE2-CD1 3.77Å; F29-L46 HydrophobicContact CE2-CD2 3.85Å; F29-L46 HydrophobicContact CE2-CG 4.01Å; F29-L46 HydrophobicContact CZ-CD2 4.42Å
30S70.1Confident70.3Confident89 Ų8984.1 Ų84.162%0.62247%0.467SS*.Hα-helixtrans-62.2-46.9179.655.60000112.2N28 L33 V34N28-S30 PolarHBondContact O-N 2.86Å; S30-L33 PolarHBondContact O-N 3.4Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.07Å
31R76Confident70.7Confident155 Ų15581.6 Ų81.659%0.58545%0.453SS*.Hα-helixtrans-60.2-47.9174.6179.6177.6172.4179.2-3.9111.1N28 L33 V34 D35N28-R31 PolarHBondContact O-N 3.5Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.4Å; R31-V34 WeakPolarHBondContact O-CB 3.27Å; R31-V34 PolarHBondContact O-N 3.26Å; R31-D35 PolarHBondContact O-N 2.75Å
32N75.3Confident71.5Confident44 Ų4479.2 Ų79.224%0.23544%0.44CS..Hα-helixtrans-63.6-37.3179.6-72.6-6.2000112N28 F29 D35 V36 M41 L46N28-N32 WeakPolarHBondContact O-CB 3.34Å; N28-N32 PolarHBondContact O-N 3.47Å; F29-N32 PolarHBondContact O-N 3.16Å; N32-D35 PolarHBondContact O-N 2.86Å; N32-V36 WeakPolarHBondContact O-CG2 3.35Å; N32-V36 PolarHBondContact O-N 3.45Å; N32-M41 HydrophobicContact CB-CE 3.67Å; N32-M41 WeakPolarHBondContact O-CE 3.34Å; N32-L46 HydrophobicContact CB-CD1 3.47Å; N32-L46 VanDerWaalsContact CB-CD1 3.47Å
33L76.4Confident72.4Confident86 Ų8675.4 Ų75.445%0.4543%0.429SS..Hα-helixtrans-65.2-41175.2-163.782.8000111.2F29 S30 R31 D35 V36 S37 L46F29-L33 HydrophobicContact CE1-CD1 4.09Å; F29-L33 HydrophobicContact CE1-CD2 4.45Å; F29-L33 HydrophobicContact CE2-CD1 4.46Å; F29-L33 HydrophobicContact CZ-CD1 3.77Å; F29-L33 VanDerWaalsContact O-CB 3.3Å; F29-L33 WeakPolarHBondContact O-CB 3.26Å; F29-L33 PolarHBondContact O-N 3.1Å; S30-L33 PolarHBondContact O-N 3.4Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.4Å; L33-D35 VanDerWaalsContact C-N 3.32Å; L33-V36 PolarHBondContact O-N 2.96Å; L33-S37 WeakPolarHBondContact O-CB 3.5Å; L33-S37 PolarHBondContact O-N 2.85Å; L33-L46 HydrophobicContact CD1-CD2 4.04Å
34V79Confident73.6Confident63 Ų6376.1 Ų76.138%0.38243%0.431SS..Hα-helixtrans-63.6-38.5173.6170.70000111.2S30 R31 S37 K38S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.07Å; R31-V34 WeakPolarHBondContact O-CB 3.27Å; R31-V34 PolarHBondContact O-N 3.26Å; V34-S37 WeakPolarHBondContact CA-OG 3.39Å; V34-S37 PolarHBondContact O-N 3Å; V34-S37 PolarHBondContact O-OG 3.33Å; V34-K38 HydrophobicContact CG1-CD 3.84Å; V34-K38 HydrophobicContact CG1-CG 4.39Å; V34-K38 VanDerWaalsContact O-CB 3.3Å; V34-K38 WeakPolarHBondContact O-CB 3.39Å; V34-K38 VanDerWaalsContact O-CG 3.26Å; V34-K38 WeakPolarHBondContact O-CG 3.42Å; V34-K38 PolarHBondContact O-N 2.79Å
35D79.8Confident74.8Confident30 Ų3072 Ų7216%0.1641%0.409CS..Hα-helixtrans-70.3-35.3176.5-73.5-33.3000111.8R31 N32 L33 G39 R40 M41R31-D35 PolarHBondContact O-N 2.75Å; N32-D35 PolarHBondContact O-N 2.86Å; L33-D35 VanDerWaalsContact C-N 3.32Å; D35-G39 PolarHBondContact O-N 2.87Å; D35-R40 HydrophobicContact CB-CB 4.06Å; D35-R40 WeakPolarHBondContact O-CA 3.32Å; D35-R40 WeakPolarHBondContact O-CB 3.46Å; D35-R40 PolarHBondContact O-N 2.97Å; D35-R40 WeakPolarHBondContact OD1-CD 3.32Å; D35-R40 IonicContact OD1-NH1 3.54Å; D35-M41 HydrophobicContact CB-CB 4.08Å; D35-M41 PolarHBondContact O-N 2.85Å; D35-M41 VanDerWaalsContact O-N 3.12Å
36V79.1Confident75.8Confident36 Ų3667.2 Ų67.222%0.21838%0.379CS..Hα-helixtrans-64.2-46.8169.3176.20000111.1N32 L33 K38 G39 M41 V43 L46N32-V36 WeakPolarHBondContact O-CG2 3.35Å; N32-V36 PolarHBondContact O-N 3.45Å; L33-V36 PolarHBondContact O-N 2.96Å; V36-K38 VanDerWaalsContact C-N 3.25Å; V36-K38 PolarHBondContact O-N 3.06Å; V36-G39 PolarHBondContact O-N 3.01Å; V36-M41 WeakPolarHBondContact CA-O 3.48Å; V36-M41 HydrophobicContact CG2-CB 4.18Å; V36-M41 HydrophobicContact CG2-CE 3.51Å; V36-V43 HydrophobicContact CG1-CB 4.37Å; V36-V43 HydrophobicContact CG1-CG2 4.48Å; V36-L46 HydrophobicContact CG2-CB 4.05Å; V36-L46 HydrophobicContact CG2-CD2 4.22Å
37S76.9Confident76.8Confident96 Ų9667.6 Ų67.667%0.67138%0.38SS*.Hα-helixtrans-65.4-29.9-17977.70000112.7L33 V34 G39L33-S37 WeakPolarHBondContact O-CB 3.5Å; L33-S37 PolarHBondContact O-N 2.85Å; V34-S37 WeakPolarHBondContact CA-OG 3.39Å; V34-S37 PolarHBondContact O-N 3Å; V34-S37 PolarHBondContact O-OG 3.33Å; S37-G39 VanDerWaalsContact C-N 3.27Å
38K79.7Confident78.1Confident121 Ų12167 Ų6753%0.52635%0.353SS..THydrogen-bonded Turntrans-84.13174-70.2178.3-179.81750113.4V34 V36 R40V34-K38 HydrophobicContact CG1-CD 3.84Å; V34-K38 HydrophobicContact CG1-CG 4.39Å; V34-K38 VanDerWaalsContact O-CB 3.3Å; V34-K38 WeakPolarHBondContact O-CB 3.39Å; V34-K38 VanDerWaalsContact O-CG 3.26Å; V34-K38 WeakPolarHBondContact O-CG 3.42Å; V34-K38 PolarHBondContact O-N 2.79Å; V36-K38 VanDerWaalsContact C-N 3.25Å; V36-K38 PolarHBondContact O-N 3.06Å; K38-R40 HydrophobicContact CB-CG 4Å; K38-R40 PolarHBondContact O-N 2.86Å
39G74.3Confident78.9Confident69 Ų6963.4 Ų63.471%0.71134%0.336SS*.THydrogen-bonded Turntrans65.816.1-177.100000114.2D35 V36 S37D35-G39 PolarHBondContact O-N 2.87Å; V36-G39 PolarHBondContact O-N 3.01Å; S37-G39 VanDerWaalsContact C-N 3.27Å
40R73.5Confident79.8Confident174 Ų17462.8 Ų62.866%0.65733%0.334SS*.SBendtrans-82.5-20.3177.8-63.3174-179.3-176.6-6112.5D35 K38D35-R40 HydrophobicContact CB-CB 4.06Å; D35-R40 WeakPolarHBondContact O-CA 3.32Å; D35-R40 WeakPolarHBondContact O-CB 3.46Å; D35-R40 PolarHBondContact O-N 2.97Å; D35-R40 WeakPolarHBondContact OD1-CD 3.32Å; D35-R40 IonicContact OD1-NH1 3.54Å; K38-R40 HydrophobicContact CB-CG 4Å; K38-R40 PolarHBondContact O-N 2.86Å
41M74.1Confident80.6Confident19 Ų1963.8 Ų63.89%0.09433%0.329CS..SBendtrans-136.8140.5178-168.8175.466.400110.7N32 D35 V36 R45 L46N32-M41 HydrophobicContact CB-CE 3.67Å; N32-M41 WeakPolarHBondContact O-CE 3.34Å; D35-M41 HydrophobicContact CB-CB 4.08Å; D35-M41 PolarHBondContact O-N 2.85Å; D35-M41 VanDerWaalsContact O-N 3.12Å; V36-M41 WeakPolarHBondContact CA-O 3.48Å; V36-M41 HydrophobicContact CG2-CB 4.18Å; V36-M41 HydrophobicContact CG2-CE 3.51Å; M41-R45 HydrophobicContact CG-CB 3.57Å; M41-R45 HydrophobicContact CG-CG 4.3Å; M41-R45 HydrophobicContact SD-CB 3.73Å; M41-L46 HydrophobicContact CE-CB 3.74Å; M41-L46 HydrophobicContact CE-CD1 4.01Å; M41-L46 HydrophobicContact CE-CG 4.48Å
42S80.8Confident80.9Confident28 Ų2857.9 Ų57.920%0.19631%0.311CS..  trans-71.4148.9172.771.70000111.1F44 R45 L46 E246S42-F44 PolarHBondContact O-N 2.93Å; S42-F44 VanDerWaalsContact O-N 3.13Å; S42-R45 PolarHBondContact O-N 3.18Å; S42-R45 VanDerWaalsContact O-N 3.11Å; S42-R45 WeakPolarHBondContact OG-CG 3.32Å; S42-L46 PolarHBondContact O-N 3.29Å; S42-E246 VanDerWaalsContact CB-OE2 3.24Å; S42-E246 WeakPolarHBondContact CB-OE2 3.44Å; S42-E246 PolarHBondContact OG-OE2 3.3Å
43V83Confident81.5Confident63 Ų6362.6 Ų62.638%0.38234%0.336SS..Hα-helixtrans-59.1-27.6177.877.30000111.9V36 L46 F47V36-V43 HydrophobicContact CG1-CB 4.37Å; V36-V43 HydrophobicContact CG1-CG2 4.48Å; V43-L46 WeakPolarHBondContact O-CB 3.43Å; V43-L46 PolarHBondContact O-N 3.48Å; V43-F47 HydrophobicContact CB-CE2 4.33Å; V43-F47 HydrophobicContact CG1-CD2 4.44Å; V43-F47 HydrophobicContact CG1-CE2 4.16Å; V43-F47 HydrophobicContact CG2-CD2 4.06Å; V43-F47 HydrophobicContact CG2-CE2 3.44Å; V43-F47 VanDerWaalsContact CG2-CE2 3.44Å; V43-F47 HydrophobicContact CG2-CZ 3.86Å; V43-F47 WeakPolarHBondContact O-CD2 3.26Å; V43-F47 WeakPolarHBondContact O-CG 3.44Å; V43-F47 PolarHBondContact O-N 2.88Å; V43-F47 VanDerWaalsContact O-N 3.11Å
44F85.4Confident82.1Confident23 Ų2359.2 Ų59.210%0.10132%0.32CS..Hα-helixtrans-64.7-45.3175.7-62.3-55000112.9S42 L46 F47 Y48 W243 E246 L247 S250S42-F44 PolarHBondContact O-N 2.93Å; S42-F44 VanDerWaalsContact O-N 3.13Å; F44-L46 PolarHBondContact O-N 2.89Å; F44-F47 PolarHBondContact O-N 2.79Å; F44-Y48 HydrophobicContact CB-CD2 4.3Å; F44-Y48 VanDerWaalsContact O-CD2 3.26Å; F44-Y48 WeakPolarHBondContact O-CD2 3.28Å; F44-Y48 PolarHBondContact O-N 3.14Å; F44-W243 AromaticContact CE1-CZ2 3.94Å; F44-W243 HydrophobicContact CE1-CZ2 3.94Å; F44-W243 AromaticContact CE2-CD1 3.39Å; F44-W243 AromaticContact CE2-CD2 3.91Å; F44-W243 HydrophobicContact CE2-CD2 3.91Å; F44-W243 AromaticContact CE2-CE2 3.69Å; F44-W243 AromaticContact CE2-CG 3.79Å; F44-W243 HydrophobicContact CE2-CG 3.79Å; F44-W243 HydrophobicContact CE2-CZ2 4.37Å; F44-W243 AromaticContact CE2-NE1 3.31Å; F44-W243 VanDerWaalsContact CE2-NE1 3.31Å; F44-W243 WeakPolarHBondContact CE2-O 3.39Å; F44-W243 AromaticContact CZ-CD1 3.67Å; F44-W243 AromaticContact CZ-CD2 3.64Å; F44-W243 HydrophobicContact CZ-CD2 3.64Å; F44-W243 AromaticContact CZ-CE2 3.08Å; F44-W243 HydrophobicContact CZ-CE3 4.33Å; F44-W243 HydrophobicContact CZ-CG 4.03Å; F44-W243 HydrophobicContact CZ-CH2 4.07Å; F44-W243 AromaticContact CZ-CZ2 3.35Å; F44-W243 HydrophobicContact CZ-CZ2 3.35Å; F44-W243 AromaticContact CZ-NE1 3.08Å; F44-E246 HydrophobicContact CD2-CB 4.1Å; F44-L247 HydrophobicContact CD1-CD1 3.9Å; F44-L247 HydrophobicContact CD2-CB 4.27Å; F44-L247 HydrophobicContact CE1-CB 4.38Å; F44-L247 HydrophobicContact CE1-CD1 3.8Å; F44-L247 HydrophobicContact CE2-CB 3.91Å; F44-L247 HydrophobicContact CG-CD1 4.38Å; F44-L247 HydrophobicContact CZ-CB 3.87Å; F44-L247 HydrophobicContact CZ-CD1 4.14Å; F44-L247 HydrophobicContact CZ-CD2 4.49Å; F44-L247 HydrophobicContact CZ-CG 4.39Å; F44-S250 WeakPolarHBondContact CB-OG 3.42Å
45R86Confident82.7Confident21 Ų2166.1 Ų66.18%0.07934%0.339CS..Hα-helixtrans-60-35178.2-69167.3-172.8-1224.6111.5M41 S42 C49 V50 S52 E224 E246 S250M41-R45 HydrophobicContact CG-CB 3.57Å; M41-R45 HydrophobicContact CG-CG 4.3Å; M41-R45 HydrophobicContact SD-CB 3.73Å; S42-R45 PolarHBondContact O-N 3.18Å; S42-R45 VanDerWaalsContact O-N 3.11Å; S42-R45 WeakPolarHBondContact OG-CG 3.32Å; R45-C49 WeakPolarHBondContact O-CA 3.26Å; R45-C49 PolarHBondContact O-N 2.86Å; R45-V50 HydrophobicContact CB-CB 3.98Å; R45-V50 HydrophobicContact CB-CG2 4.31Å; R45-V50 HydrophobicContact CG-CB 4.11Å; R45-V50 HydrophobicContact CG-CG1 4.36Å; R45-V50 HydrophobicContact CG-CG2 4.33Å; R45-V50 PolarHBondContact O-N 3.02Å; R45-S52 WeakPolarHBondContact CD-OG 3.48Å; R45-S52 PolarHBondContact NH1-OG 3.11Å; R45-E224 IonicContact CZ-OE1 2.7Å; R45-E224 IonicContact NH1-OE1 3.65Å; R45-E224 PolarHBondContact NH1-OE1 2.73Å; R45-E224 IonicContact NH2-OE1 3.53Å; R45-E224 PolarHBondContact NH2-OE1 3.17Å; R45-E224 IonicContact NH2-OE2 2.7Å; R45-E246 IonicContact CZ-OE1 3.08Å; R45-E246 IonicContact CZ-OE2 3.75Å; R45-E246 IonicContact NE-OE1 2.86Å; R45-E246 IonicContact NE-OE2 2.84Å; R45-E246 PolarHBondContact NE-OE2 3.26Å; R45-E246 IonicContact NH2-OE1 2.67Å; R45-E246 PolarHBondContact NH2-OE1 3.35Å; R45-E246 IonicContact NH2-OE2 3.92Å; R45-E246 PolarHBondContact NH2-OE2 3.02Å; R45-S250 WeakPolarHBondContact CG-OG 3.38Å; R45-S250 PolarHBondContact N-OG 3.05Å
46L82Confident83.4Confident10 Ų1068 Ų685%0.05235%0.35CS..Hα-helixtrans-61.7-52.5170.6-174.669.5000111.2F29 N32 L33 V36 M41 S42 V43 F44 Y48 C49F29-L46 HydrophobicContact CD2-CD1 3.8Å; F29-L46 HydrophobicContact CD2-CG 4.48Å; F29-L46 HydrophobicContact CE2-CD1 3.77Å; F29-L46 HydrophobicContact CE2-CD2 3.85Å; F29-L46 HydrophobicContact CE2-CG 4.01Å; F29-L46 HydrophobicContact CZ-CD2 4.42Å; N32-L46 HydrophobicContact CB-CD1 3.47Å; N32-L46 VanDerWaalsContact CB-CD1 3.47Å; L33-L46 HydrophobicContact CD1-CD2 4.04Å; V36-L46 HydrophobicContact CG2-CB 4.05Å; V36-L46 HydrophobicContact CG2-CD2 4.22Å; M41-L46 HydrophobicContact CE-CB 3.74Å; M41-L46 HydrophobicContact CE-CD1 4.01Å; M41-L46 HydrophobicContact CE-CG 4.48Å; S42-L46 PolarHBondContact O-N 3.29Å; V43-L46 WeakPolarHBondContact O-CB 3.43Å; V43-L46 PolarHBondContact O-N 3.48Å; F44-L46 PolarHBondContact O-N 2.89Å; L46-Y48 PolarHBondContact O-N 2.85Å; L46-C49 PolarHBondContact O-N 2.88Å; L46-C49 PolarHBondContact O-SG 3.28Å; L46-C49 VanDerWaalsContact O-SG 3.4Å
47F83.4Confident84.3Confident87 Ų8767.5 Ų67.538%0.38234%0.344SS..Hα-helixtrans-64.5-37.5-177.7-68.6-44.1000114.3F19 L23 V43 F44 C49F19-F47 HydrophobicContact CD1-CD1 4.38Å; F19-F47 HydrophobicContact CD1-CE1 4.29Å; F19-F47 AromaticContact CE1-CD1 3.26Å; F19-F47 HydrophobicContact CE1-CD1 3.26Å; F19-F47 AromaticContact CE1-CE1 3.5Å; F19-F47 HydrophobicContact CE1-CE1 3.5Å; F19-F47 HydrophobicContact CE1-CG 4.15Å; F19-F47 HydrophobicContact CZ-CB 4.3Å; F19-F47 AromaticContact CZ-CD1 3.72Å; F19-F47 HydrophobicContact CZ-CD1 3.72Å; F19-F47 HydrophobicContact CZ-CE1 4.39Å; F19-F47 HydrophobicContact CZ-CG 4.29Å; L23-F47 HydrophobicContact CD1-CD1 3.83Å; L23-F47 HydrophobicContact CD1-CE1 3.92Å; V43-F47 HydrophobicContact CB-CE2 4.33Å; V43-F47 HydrophobicContact CG1-CD2 4.44Å; V43-F47 HydrophobicContact CG1-CE2 4.16Å; V43-F47 HydrophobicContact CG2-CD2 4.06Å; V43-F47 HydrophobicContact CG2-CE2 3.44Å; V43-F47 VanDerWaalsContact CG2-CE2 3.44Å; V43-F47 HydrophobicContact CG2-CZ 3.86Å; V43-F47 WeakPolarHBondContact O-CD2 3.26Å; V43-F47 WeakPolarHBondContact O-CG 3.44Å; V43-F47 PolarHBondContact O-N 2.88Å; V43-F47 VanDerWaalsContact O-N 3.11Å; F44-F47 PolarHBondContact O-N 2.79Å; F47-C49 VanDerWaalsContact C-N 3.34Å
48Y86.2Confident85.2Confident68 Ų6862.9 Ų62.927%0.26731%0.312SS..Hα-helixtrans-88.5-3.7178.9-73.3-75.3000113.4F44 L46 L247 S250 R251 S254 D255F44-Y48 HydrophobicContact CB-CD2 4.3Å; F44-Y48 VanDerWaalsContact O-CD2 3.26Å; F44-Y48 WeakPolarHBondContact O-CD2 3.28Å; F44-Y48 PolarHBondContact O-N 3.14Å; L46-Y48 PolarHBondContact O-N 2.85Å; Y48-L247 HydrophobicContact CE2-CD1 3.58Å; Y48-S250 VanDerWaalsContact CB-O 3.24Å; Y48-S250 WeakPolarHBondContact CB-O 3.46Å; Y48-R251 HydrophobicContact CE1-CB 4.41Å; Y48-S254 WeakPolarHBondContact CD1-OG 3.29Å; Y48-S254 VanDerWaalsContact O-CA 3.3Å; Y48-S254 WeakPolarHBondContact O-CA 3.48Å; Y48-S254 PolarHBondContact O-OG 2.9Å; Y48-S254 VanDerWaalsContact O-OG 3.07Å; Y48-D255 PolarHBondContact O-N 3.1Å; Y48-D255 VanDerWaalsContact O-N 3.11Å
49C85.7Confident86.1Confident30 Ų3057.1 Ų57.120%0.20329%0.287CS..THydrogen-bonded Turntrans55.654.2179.9-620000112.1K26 R45 L46 F47 D255K26-C49 PolarHBondContact NZ-SG 3.29Å; R45-C49 WeakPolarHBondContact O-CA 3.26Å; R45-C49 PolarHBondContact O-N 2.86Å; L46-C49 PolarHBondContact O-N 2.88Å; L46-C49 PolarHBondContact O-SG 3.28Å; L46-C49 VanDerWaalsContact O-SG 3.4Å; F47-C49 VanDerWaalsContact C-N 3.34Å; C49-D255 WeakPolarHBondContact CB-OD1 3.23Å
50V88.8Confident87.2Confident6 Ų656.4 Ų56.44%0.03627%0.265CS..  trans-86.3125.4-179.4-179.10000109.2R45 S52 I220 S250 F253R45-V50 HydrophobicContact CB-CB 3.98Å; R45-V50 HydrophobicContact CB-CG2 4.31Å; R45-V50 HydrophobicContact CG-CB 4.11Å; R45-V50 HydrophobicContact CG-CG1 4.36Å; R45-V50 HydrophobicContact CG-CG2 4.33Å; R45-V50 PolarHBondContact O-N 3.02Å; V50-S52 PolarHBondContact O-N 3.32Å; V50-I220 HydrophobicContact CG1-CD1 3.37Å; V50-S250 WeakPolarHBondContact CG2-O 3.11Å; V50-F253 HydrophobicContact CG1-CB 3.98Å
51E87.7Confident88.4Confident110 Ų11049.3 Ų49.351%0.51424%0.24SC..  trans-86.787.6173-65.4176.7-153.100109.7D53 S54E51-D53 VanDerWaalsContact C-N 3.25Å; E51-D53 PolarHBondContact O-N 3.45Å; E51-S54 VanDerWaalsContact O-CB 3.3Å; E51-S54 WeakPolarHBondContact O-CB 2.92Å; E51-S54 PolarHBondContact O-N 2.89Å; E51-S54 VanDerWaalsContact O-N 3.13Å
52S82.9Confident89.6Confident31 Ų3148.4 Ų48.422%0.21724%0.235CC..THydrogen-bonded Turntrans-63.6-26.8-171.3-57.20000114.4R45 V50 I220R45-S52 WeakPolarHBondContact CD-OG 3.48Å; R45-S52 PolarHBondContact NH1-OG 3.11Å; V50-S52 PolarHBondContact O-N 3.32Å; S52-I220 WeakPolarHBondContact O-CG2 3.43Å
53D86.2Confident90.4Very high143 Ų14347 Ų4777%0.76523%0.226SC*.THydrogen-bonded Turntrans-90.50.3-179.6-60.7-32.7000112.9E51E51-D53 VanDerWaalsContact C-N 3.25Å; E51-D53 PolarHBondContact O-N 3.45Å
54S89.3Confident91.1Very high15 Ų1547.4 Ų47.411%0.10523%0.226CC..  trans-66.6138.2-177-175.70000111.7E51 N56 W257E51-S54 VanDerWaalsContact O-CB 3.3Å; E51-S54 WeakPolarHBondContact O-CB 2.92Å; E51-S54 PolarHBondContact O-N 2.89Å; E51-S54 VanDerWaalsContact O-N 3.13Å; S54-N56 PolarHBondContact OG-N 3.29Å; S54-W257 PolarHBondContact OG-NE1 2.8Å
55R92.7Very high91.8Very high208 Ų20846.3 Ų46.379%0.78522%0.221SC*.  trans-97.9-4.8172.2-65.4-170.6177.8-170.1-0.4113
56N95Very high92.4Very high71 Ų7145.3 Ų45.338%0.3822%0.217SC..  trans-66.8155.9177-58.6-6.9000110S54 E60 W257S54-N56 PolarHBondContact OG-N 3.29Å; N56-E60 VanDerWaalsContact CA-OE2 3.26Å; N56-E60 WeakPolarHBondContact CA-OE2 3.42Å; N56-E60 WeakPolarHBondContact CB-OE2 3.41Å; N56-W257 HydrophobicContact CB-CD2 3.84Å; N56-W257 HydrophobicContact CB-CE3 3.73Å; N56-W257 HydrophobicContact CB-CH2 3.85Å; N56-W257 HydrophobicContact CB-CZ2 3.92Å; N56-W257 HydrophobicContact CB-CZ3 3.72Å; N56-W257 WeakPolarHBondContact O-CH2 3.18Å; N56-W257 WeakPolarHBondContact O-CZ2 3.41Å
57F96.2Very high93.1Very high24 Ų2449.1 Ų49.111%0.10523%0.234CC..  trans-148.2154.7-177.859.5-87.7000112G59 E60 P84 S88 L217 P219 W257F57-G59 PolarHBondContact O-N 3.25Å; F57-G59 VanDerWaalsContact O-N 3.08Å; F57-E60 HydrophobicContact CD1-CG 4.2Å; F57-E60 HydrophobicContact CD2-CG 4.25Å; F57-E60 HydrophobicContact CE1-CG 3.85Å; F57-E60 WeakPolarHBondContact CE1-OE1 3.39Å; F57-E60 HydrophobicContact CE2-CG 3.93Å; F57-E60 HydrophobicContact CG-CG 4.39Å; F57-E60 HydrophobicContact CZ-CG 3.71Å; F57-E60 PolarHBondContact N-OE2 3.43Å; F57-E60 VanDerWaalsContact N-OE2 3.07Å; F57-E60 WeakPolarHBondContact O-CB 3.32Å; F57-E60 PolarHBondContact O-N 3.09Å; F57-P84 HydrophobicContact CD2-CB 3.69Å; F57-P84 HydrophobicContact CE2-CB 3.72Å; F57-S88 WeakPolarHBondContact CE2-OG 3.44Å; F57-S88 WeakPolarHBondContact CZ-OG 3.46Å; F57-L217 WeakPolarHBondContact CB-O 3.2Å; F57-L217 VanDerWaalsContact CD2-O 3.28Å; F57-L217 WeakPolarHBondContact CD2-O 3.36Å; F57-P219 HydrophobicContact CB-CB 4.46Å; F57-P219 HydrophobicContact CB-CG 3.83Å; F57-P219 HydrophobicContact CD1-CG 4.07Å; F57-P219 HydrophobicContact CG-CG 4.24Å; F57-W257 VanDerWaalsContact CA-CH2 3.48Å
58G97.5Very high93.8Very high0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-61.6-24-170.300000114.8E60 I61 V62 A216G58-E60 PolarHBondContact O-N 3.03Å; G58-I61 WeakPolarHBondContact O-CB 3.48Å; G58-I61 PolarHBondContact O-N 3.37Å; G58-I61 VanDerWaalsContact O-N 3.15Å; G58-V62 WeakPolarHBondContact O-CG2 3.21Å; G58-V62 PolarHBondContact O-N 3.39Å; G58-V62 VanDerWaalsContact O-N 3.1Å; G58-A216 WeakPolarHBondContact CA-O 3.48Å
59G97.7Very high94.4Very high0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-56.9-3417300000113.6F57 V62 A63 S88F57-G59 PolarHBondContact O-N 3.25Å; F57-G59 VanDerWaalsContact O-N 3.08Å; G59-V62 PolarHBondContact O-N 3.25Å; G59-A63 PolarHBondContact O-N 3.19Å; G59-A63 VanDerWaalsContact O-N 3.09Å; G59-S88 VanDerWaalsContact C-CB 3.46Å; G59-S88 VanDerWaalsContact C-OG 3.29Å; G59-S88 WeakPolarHBondContact O-CB 3.49Å
60E97.8Very high94.9Very high53 Ų5344.3 Ų44.325%0.24823%0.228CC..Hα-helixtrans-63.3-46.6174.7-63.2171.3147.300111N56 F57 G58 V62 A63 D64 S88N56-E60 VanDerWaalsContact CA-OE2 3.26Å; N56-E60 WeakPolarHBondContact CA-OE2 3.42Å; N56-E60 WeakPolarHBondContact CB-OE2 3.41Å; F57-E60 HydrophobicContact CD1-CG 4.2Å; F57-E60 HydrophobicContact CD2-CG 4.25Å; F57-E60 HydrophobicContact CE1-CG 3.85Å; F57-E60 WeakPolarHBondContact CE1-OE1 3.39Å; F57-E60 HydrophobicContact CE2-CG 3.93Å; F57-E60 HydrophobicContact CG-CG 4.39Å; F57-E60 HydrophobicContact CZ-CG 3.71Å; F57-E60 PolarHBondContact N-OE2 3.43Å; F57-E60 VanDerWaalsContact N-OE2 3.07Å; F57-E60 WeakPolarHBondContact O-CB 3.32Å; F57-E60 PolarHBondContact O-N 3.09Å; G58-E60 PolarHBondContact O-N 3.03Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3.47Å; E60-A63 PolarHBondContact O-N 3.32Å; E60-A63 VanDerWaalsContact O-N 3.12Å; E60-D64 VanDerWaalsContact O-CG 3.26Å; E60-D64 PolarHBondContact O-N 2.92Å; E60-S88 WeakPolarHBondContact CA-OG 3.47Å; E60-S88 WeakPolarHBondContact CG-OG 3.29Å; E60-S88 PolarHBondContact N-OG 2.97Å
61I98.2Very high95.4Very high25 Ų2544.4 Ų44.413%0.12823%0.229CC..Hα-helixtrans-60.9-38.6177.2-55.2176.5000111.1G58 V65 V186 I189 A190 W257G58-I61 WeakPolarHBondContact O-CB 3.48Å; G58-I61 PolarHBondContact O-N 3.37Å; G58-I61 VanDerWaalsContact O-N 3.15Å; I61-V65 WeakPolarHBondContact O-CG2 3.34Å; I61-V65 PolarHBondContact O-N 3.46Å; I61-V65 VanDerWaalsContact O-N 3.16Å; I61-V186 HydrophobicContact CD1-CG1 3.71Å; I61-I189 HydrophobicContact CB-CB 4.48Å; I61-I189 HydrophobicContact CB-CG2 4.13Å; I61-I189 HydrophobicContact CG2-CB 3.99Å; I61-I189 HydrophobicContact CG2-CG2 3.77Å; I61-A190 HydrophobicContact CG2-CB 3.8Å; I61-W257 HydrophobicContact CD1-CE3 4.27Å; I61-W257 HydrophobicContact CD1-CZ3 3.87Å; I61-W257 HydrophobicContact CG1-CZ3 4.37Å
62V98.6Very high95.9Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-60.2-52175.21780000109.9G58 G59 E60 D64 V65 L66 I85 I150 I189 L193 I212 L217G58-V62 WeakPolarHBondContact O-CG2 3.21Å; G58-V62 PolarHBondContact O-N 3.39Å; G58-V62 VanDerWaalsContact O-N 3.1Å; G59-V62 PolarHBondContact O-N 3.25Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3.47Å; V62-D64 PolarHBondContact O-N 3.1Å; V62-V65 PolarHBondContact O-N 2.95Å; V62-L66 HydrophobicContact CG1-CD1 4.07Å; V62-L66 HydrophobicContact CG1-CG 4.32Å; V62-L66 VanDerWaalsContact O-CG 3.32Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 3.5Å; V62-I85 HydrophobicContact CB-CG1 4.36Å; V62-I85 HydrophobicContact CB-CG2 4.35Å; V62-I85 HydrophobicContact CG1-CD1 4.4Å; V62-I85 HydrophobicContact CG1-CG1 4.33Å; V62-I85 HydrophobicContact CG1-CG2 3.72Å; V62-I85 HydrophobicContact CG2-CD1 4.41Å; V62-I85 HydrophobicContact CG2-CG1 4.25Å; V62-I150 HydrophobicContact CG1-CD1 3.96Å; V62-I189 HydrophobicContact CG2-CG2 3.65Å; V62-L193 HydrophobicContact CB-CD1 4.21Å; V62-L193 HydrophobicContact CG1-CD1 3.98Å; V62-L193 HydrophobicContact CG2-CD1 4.07Å; V62-I212 HydrophobicContact CG2-CD1 3.81Å; V62-L217 HydrophobicContact CG2-CD2 4.13Å
63A98.5Very high96.6Very high0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-61.5-41.8-178.900000112.6G59 E60 V65 L66 K67 S88 N92G59-A63 PolarHBondContact O-N 3.19Å; G59-A63 VanDerWaalsContact O-N 3.09Å; E60-A63 PolarHBondContact O-N 3.32Å; E60-A63 VanDerWaalsContact O-N 3.12Å; A63-V65 VanDerWaalsContact C-N 3.33Å; A63-V65 PolarHBondContact O-N 3.17Å; A63-L66 PolarHBondContact O-N 2.93Å; A63-K67 WeakPolarHBondContact O-CB 3.39Å; A63-K67 PolarHBondContact O-N 3.23Å; A63-S88 VanDerWaalsContact CB-C 3.45Å; A63-S88 WeakPolarHBondContact CB-O 3.26Å; A63-N92 HydrophobicContact CB-CB 4.22Å
64D98.3Very high97.2Very high71 Ų7137.5 Ų37.538%0.3819%0.185SC..Hα-helixtrans-58.5-44.5176.9-67.6-14.7000111.7E60 V62 A68 V262E60-D64 VanDerWaalsContact O-CG 3.26Å; E60-D64 PolarHBondContact O-N 2.92Å; V62-D64 PolarHBondContact O-N 3.1Å; D64-A68 WeakPolarHBondContact O-CB 3.31Å; D64-A68 PolarHBondContact O-N 3.1Å; D64-V262 HydrophobicContact CB-CG1 4.36Å
65V98.6Very high97.7Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-65.6-47.1177.3176.90000110.4I61 V62 A63 K67 A68 H69 A190 L193 R194 I197 V262I61-V65 WeakPolarHBondContact O-CG2 3.34Å; I61-V65 PolarHBondContact O-N 3.46Å; I61-V65 VanDerWaalsContact O-N 3.16Å; V62-V65 PolarHBondContact O-N 2.95Å; A63-V65 VanDerWaalsContact C-N 3.33Å; A63-V65 PolarHBondContact O-N 3.17Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 2.81Å; V65-A68 PolarHBondContact O-N 3.06Å; V65-H69 PolarHBondContact O-N 3.09Å; V65-H69 VanDerWaalsContact O-N 3.14Å; V65-H69 PolarHBondContact O-ND1 2.94Å; V65-A190 HydrophobicContact CG2-CB 3.84Å; V65-L193 HydrophobicContact CB-CB 4.47Å; V65-L193 HydrophobicContact CB-CD1 4.3Å; V65-L193 HydrophobicContact CG1-CB 3.75Å; V65-L193 HydrophobicContact CG1-CD1 4.4Å; V65-R194 HydrophobicContact CG1-CG 4.2Å; V65-I197 HydrophobicContact CG1-CD1 4.29Å; V65-V262 HydrophobicContact CG2-CB 4.17Å; V65-V262 HydrophobicContact CG2-CG1 3.81Å
66L98.7Very high98Very high0 Ų026.9 Ų26.90%014%0.143CC..Hα-helixtrans-59.3-45.3179.2-65.8-176.8000111.1V62 A63 A68 H69 G70 V71 V74 I94 V121 L148 I150V62-L66 HydrophobicContact CG1-CD1 4.07Å; V62-L66 HydrophobicContact CG1-CG 4.32Å; V62-L66 VanDerWaalsContact O-CG 3.32Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 3.5Å; A63-L66 PolarHBondContact O-N 2.93Å; L66-A68 PolarHBondContact O-N 3.05Å; L66-H69 PolarHBondContact O-N 3.09Å; L66-H69 VanDerWaalsContact O-N 3.11Å; L66-G70 PolarHBondContact O-N 2.79Å; L66-V71 HydrophobicContact CB-CB 4.02Å; L66-V71 HydrophobicContact CB-CG1 4.38Å; L66-V71 HydrophobicContact CB-CG2 4.17Å; L66-V71 HydrophobicContact CD2-CG2 4.22Å; L66-V71 VanDerWaalsContact O-CB 3.3Å; L66-V71 WeakPolarHBondContact O-CB 3.44Å; L66-V71 WeakPolarHBondContact O-CG2 3.44Å; L66-V71 PolarHBondContact O-N 3.18Å; L66-V71 VanDerWaalsContact O-N 3.09Å; L66-V74 HydrophobicContact CD1-CG2 3.87Å; L66-I94 HydrophobicContact CB-CD1 3.75Å; L66-V121 HydrophobicContact CD1-CG1 4.34Å; L66-V121 HydrophobicContact CD2-CG1 4.41Å; L66-V121 HydrophobicContact CD2-CG2 4.18Å; L66-L148 HydrophobicContact CD2-CD2 3.88Å; L66-I150 HydrophobicContact CD1-CD1 4.38Å
67K98.1Very high98.1Very high90 Ų9025.6 Ų25.639%0.39114%0.136SC..Hα-helixtrans-59.1-47.1176.5-172.765.8168.5-153.60111.7A63 V65 H69 G70 N92 I94A63-K67 WeakPolarHBondContact O-CB 3.39Å; A63-K67 PolarHBondContact O-N 3.23Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-K67 PolarHBondContact O-N 2.81Å; K67-H69 PolarHBondContact O-N 2.85Å; K67-H69 VanDerWaalsContact O-N 3.16Å; K67-G70 PolarHBondContact O-N 3.48Å; K67-N92 WeakPolarHBondContact CD-O 3.38Å; K67-N92 WeakPolarHBondContact CE-O 3.49Å; K67-N92 PolarHBondContact NZ-O 3.21Å; K67-I94 HydrophobicContact CB-CD1 4.16Å; K67-I94 HydrophobicContact CD-CG1 4.29Å
68A98.1Very high98.1Very high38 Ų3828.6 Ų28.631%0.31416%0.159SC..Hα-helixtrans-62.8-20.3178.400000113.7D64 V65 L66 V262 P264D64-A68 WeakPolarHBondContact O-CB 3.31Å; D64-A68 PolarHBondContact O-N 3.1Å; V65-A68 PolarHBondContact O-N 3.06Å; L66-A68 PolarHBondContact O-N 3.05Å; A68-V262 HydrophobicContact CB-CB 4.07Å; A68-V262 HydrophobicContact CB-CG2 3.71Å; A68-V262 WeakPolarHBondContact CB-O 3.23Å; A68-P264 WeakPolarHBondContact O-CD 3.41Å; A68-P264 VanDerWaalsContact O-CG 3.29Å; A68-P264 WeakPolarHBondContact O-CG 3.2Å
69H97.9Very high98Very high9 Ų929.6 Ų29.64%0.04217%0.169CC..THydrogen-bonded Turntrans-96.79.7175.7-67.270.1000113.5V65 L66 K67 V71 I197 V262 P264V65-H69 PolarHBondContact O-N 3.09Å; V65-H69 VanDerWaalsContact O-N 3.14Å; V65-H69 PolarHBondContact O-ND1 2.94Å; L66-H69 PolarHBondContact O-N 3.09Å; L66-H69 VanDerWaalsContact O-N 3.11Å; K67-H69 PolarHBondContact O-N 2.85Å; K67-H69 VanDerWaalsContact O-N 3.16Å; H69-V71 VanDerWaalsContact C-N 3.35Å; H69-I197 HydrophobicContact CB-CD1 4.11Å; H69-I197 VanDerWaalsContact CD2-CG2 3.46Å; H69-I197 WeakPolarHBondContact CD2-CG2 3.43Å; H69-V262 PolarHBondContact CE1-O 2.91Å; H69-P264 WeakPolarHBondContact NE2-CA 3.48Å
70G97Very high97.9Very high37 Ų3732.2 Ų32.238%0.38120%0.196SC..THydrogen-bonded Turntrans77.417.5176.600000114.2L66 K67 K72L66-G70 PolarHBondContact O-N 2.79Å; K67-G70 PolarHBondContact O-N 3.48Å; G70-K72 PolarHBondContact O-N 3.2Å
71V98.6Very high97.8Very high8 Ų830.9 Ų30.95%0.04819%0.19CC..  trans-70.3121.5177.5178.50000109.4L66 H69 W73 V74 I94 I119 V121L66-V71 HydrophobicContact CB-CB 4.02Å; L66-V71 HydrophobicContact CB-CG1 4.38Å; L66-V71 HydrophobicContact CB-CG2 4.17Å; L66-V71 HydrophobicContact CD2-CG2 4.22Å; L66-V71 VanDerWaalsContact O-CB 3.3Å; L66-V71 WeakPolarHBondContact O-CB 3.44Å; L66-V71 WeakPolarHBondContact O-CG2 3.44Å; L66-V71 PolarHBondContact O-N 3.18Å; L66-V71 VanDerWaalsContact O-N 3.09Å; H69-V71 VanDerWaalsContact C-N 3.35Å; V71-W73 VanDerWaalsContact CG1-O 3.25Å; V71-W73 WeakPolarHBondContact CG1-O 3.25Å; V71-V74 HydrophobicContact CG1-CG2 4.3Å; V71-I94 HydrophobicContact CG1-CG2 4.18Å; V71-I119 HydrophobicContact CG2-CG2 3.72Å; V71-V121 HydrophobicContact CB-CG2 4.48Å; V71-V121 HydrophobicContact CG1-CB 4.31Å; V71-V121 HydrophobicContact CG1-CG2 3.8Å; V71-V121 HydrophobicContact CG2-CG2 3.78Å
72K98.2Very high97.7Very high102 Ų10229.7 Ų29.744%0.44318%0.184SC..  trans-99.1-27.3178.3-61.4168.2-171.8164.30112.9G70 R95 E117G70-K72 PolarHBondContact O-N 3.2Å; K72-R95 PolarHBondContact O-N 3.46Å; K72-E117 IonicContact NZ-OE1 3.24Å; K72-E117 PolarHBondContact NZ-OE1 3.21Å; K72-E117 IonicContact NZ-OE2 3.55Å
73W98.5Very high97.7Very high36 Ų3632 Ų3214%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-133.2140.7-176.3-52.8-81.8000111.5V71 F75 R95 V97 V112 E117 L517V71-W73 VanDerWaalsContact CG1-O 3.25Å; V71-W73 WeakPolarHBondContact CG1-O 3.25Å; W73-F75 HydrophobicContact CB-CE2 4.05Å; W73-F75 HydrophobicContact CB-CZ 4.02Å; W73-R95 VanDerWaalsContact CA-O 3.3Å; W73-R95 WeakPolarHBondContact CA-O 3.15Å; W73-V97 HydrophobicContact CB-CG2 4.44Å; W73-V112 HydrophobicContact CE3-CG1 4.41Å; W73-V112 HydrophobicContact CE3-CG2 4.5Å; W73-E117 HydrophobicContact CZ3-CG 4.22Å; W73-L517 HydrophobicContact CD2-CB 4.3Å; W73-L517 HydrophobicContact CG-CD1 4.44Å; W73-L517 WeakPolarHBondContact CH2-O 3.46Å; W73-L517 HydrophobicContact CZ2-CB 4.14Å; W73-L517 WeakPolarHBondContact CZ2-O 3.23Å
74V98.7Very high97.7Very high0 Ų032.5 Ų32.50%020%0.203CC..EExtended strand (participates in β ladder)trans-118.2120.2164.81680000107.8L66 V71 L86 I94 R95 V97 V121 C123L66-V74 HydrophobicContact CD1-CG2 3.87Å; V71-V74 HydrophobicContact CG1-CG2 4.3Å; V74-L86 HydrophobicContact CG1-CD2 4.37Å; V74-I94 HydrophobicContact CB-CG2 4.5Å; V74-I94 HydrophobicContact CG2-CG2 3.86Å; V74-R95 PolarHBondContact N-O 3.4Å; V74-V97 PolarHBondContact O-N 2.84Å; V74-V121 HydrophobicContact CG2-CB 4.27Å; V74-V121 HydrophobicContact CG2-CG1 4.02Å; V74-C123 HydrophobicContact CG1-CB 3.49Å; V74-C123 VanDerWaalsContact CG1-CB 3.49Å
75F98.9Very high97.7Very high0 Ų029.1 Ų29.10%019%0.185CC..EExtended strand (participates in β ladder)trans-88.8137.5176.9-59.2-82.2000110.3W73 V97 A105 A108 A109 V112 V121 A122 C123 L513 L517W73-F75 HydrophobicContact CB-CE2 4.05Å; W73-F75 HydrophobicContact CB-CZ 4.02Å; F75-V97 WeakPolarHBondContact CA-O 3.4Å; F75-V97 HydrophobicContact CD1-CB 3.73Å; F75-V97 HydrophobicContact CD1-CG1 3.85Å; F75-V97 HydrophobicContact CD1-CG2 4.45Å; F75-V97 HydrophobicContact CE1-CB 3.96Å; F75-V97 HydrophobicContact CE1-CG1 3.95Å; F75-V97 HydrophobicContact CE1-CG2 4.25Å; F75-A105 HydrophobicContact CB-CB 3.8Å; F75-A105 VanDerWaalsContact CB-O 3.28Å; F75-A105 WeakPolarHBondContact CB-O 3.42Å; F75-A108 HydrophobicContact CD1-CB 3.42Å; F75-A108 VanDerWaalsContact CD1-CB 3.42Å; F75-A108 HydrophobicContact CD2-CB 4.11Å; F75-A108 HydrophobicContact CE1-CB 3.49Å; F75-A108 VanDerWaalsContact CE1-CB 3.49Å; F75-A108 HydrophobicContact CE2-CB 4.18Å; F75-A108 HydrophobicContact CG-CB 3.74Å; F75-A108 HydrophobicContact CZ-CB 3.88Å; F75-A109 HydrophobicContact CD2-CB 3.99Å; F75-V112 HydrophobicContact CE2-CB 4.39Å; F75-V112 HydrophobicContact CE2-CG2 3.63Å; F75-V112 HydrophobicContact CZ-CG2 3.65Å; F75-V121 WeakPolarHBondContact CD2-O 3.47Å; F75-V121 PolarHBondContact N-O 2.85Å; F75-A122 CarbonylContact O-C 3.55Å; F75-A122 VanDerWaalsContact O-CA 3.27Å; F75-A122 WeakPolarHBondContact O-CA 3.27Å; F75-C123 PolarHBondContact O-N 2.82Å; F75-L513 HydrophobicContact CD1-CD2 4.42Å; F75-L513 HydrophobicContact CE1-CD2 4.39Å; F75-L513 HydrophobicContact CE1-CG 4.37Å; F75-L517 HydrophobicContact CE1-CD1 3.55Å; F75-L517 HydrophobicContact CZ-CD1 3.84Å
76T98.8Very high97.7Very high0 Ų030.2 Ų30.20%019%0.191CC..EExtended strand (participates in β ladder)trans-150.4157.2-173.6-1690000112.7I82 L86 V96 V97 D98 T99 C123T76-I82 WeakPolarHBondContact OG1-CD1 3.28Å; T76-L86 HydrophobicContact CG2-CD1 4.19Å; T76-L86 HydrophobicContact CG2-CD2 4.11Å; T76-V96 HydrophobicContact CG2-CG1 3.63Å; T76-V97 PolarHBondContact N-O 3.48Å; T76-D98 HydrophobicContact CG2-CB 3.88Å; T76-D98 CarbonylContact O-C 3.47Å; T76-D98 WeakPolarHBondContact O-CA 3.41Å; T76-T99 PolarHBondContact O-N 3.28Å; T76-T99 PolarHBondContact O-OG1 2.82Å; T76-C123 WeakPolarHBondContact CA-O 3.11Å; T76-C123 WeakPolarHBondContact CB-O 3.5Å; T76-C123 PolarHBondContact OG1-O 2.95Å
77L98.1Very high97.7Very high45 Ų4533.2 Ų33.224%0.23621%0.209CC..EExtended strand (participates in β ladder)trans-113.9124.6143.7-171145.2000105.4R100 E102L77-R100 VanDerWaalsContact CD1-C 3.44Å; L77-R100 WeakPolarHBondContact CD1-O 3.49Å; L77-E102 HydrophobicContact CB-CG 3.83Å
78C95.6Very high97.7Very high87 Ų8729 Ų2959%0.58819%0.191SC*.  trans-67.8155.1-164.769.10000112.4L86C78-L86 HydrophobicContact CB-CD1 4.1Å
79G95.6Very high97.7Very high21 Ų2127.2 Ų27.222%0.21618%0.176CC..  trans-170161.7171.400000112.2H81 I82 S83G79-H81 VanDerWaalsContact C-N 3.26Å; G79-H81 PolarHBondContact O-N 3.09Å; G79-I82 VanDerWaalsContact O-CG1 3.31Å; G79-I82 WeakPolarHBondContact O-CG1 3.28Å; G79-I82 PolarHBondContact O-N 3.46Å; G79-S83 PolarHBondContact O-N 2.93Å
80G94.2Very high97.7Very high55 Ų5533.3 Ų33.357%0.56721%0.205SC*.THydrogen-bonded Turntrans-59.5-32.4-170.300000114.4I82 S83G80-I82 PolarHBondContact O-N 3.37Å; G80-S83 PolarHBondContact O-OG 3.37Å
81H95.9Very high97.7Very high24 Ų2438 Ų3811%0.11121%0.214CC..THydrogen-bonded Turntrans-69.6-17.6-177.6-64.395.6000114.2G79 T125 A126 A153 Q165 L217G79-H81 VanDerWaalsContact C-N 3.26Å; G79-H81 PolarHBondContact O-N 3.09Å; H81-T125 PolarHBondContact ND1-OG1 3.38Å; H81-A126 HydrophobicContact CB-CB 4.37Å; H81-A153 PolarHBondContact CD2-O 3.26Å; H81-Q165 PolarHBondContact ND1-OE1 3.31Å; H81-L217 VanDerWaalsContact O-CD1 3.24Å; H81-L217 WeakPolarHBondContact O-CD1 3.11Å
82I97.8Very high97.7Very high0 Ų039.5 Ų39.50%022%0.222CC..THydrogen-bonded Turntrans-120.7-1.4-175.959.1162.9000113.5T76 G79 G80 P84 I85 L86 C123 V124T76-I82 WeakPolarHBondContact OG1-CD1 3.28Å; G79-I82 VanDerWaalsContact O-CG1 3.31Å; G79-I82 WeakPolarHBondContact O-CG1 3.28Å; G79-I82 PolarHBondContact O-N 3.46Å; G80-I82 PolarHBondContact O-N 3.37Å; I82-P84 VanDerWaalsContact C-N 3.29Å; I82-I85 HydrophobicContact CG2-CD1 4.49Å; I82-I85 WeakPolarHBondContact O-CB 3.49Å; I82-I85 PolarHBondContact O-N 3.03Å; I82-L86 HydrophobicContact CD1-CD1 4.16Å; I82-L86 HydrophobicContact CD1-CD2 4.37Å; I82-L86 HydrophobicContact CD1-CG 4.37Å; I82-L86 HydrophobicContact CG1-CD1 4.42Å; I82-L86 PolarHBondContact O-N 2.88Å; I82-C123 HydrophobicContact CD1-CB 4.44Å; I82-C123 WeakPolarHBondContact CD1-O 3.39Å; I82-V124 VanDerWaalsContact CG2-O 3.24Å; I82-V124 WeakPolarHBondContact CG2-O 3.38Å
83S97.7Very high97.6Very high49 Ų4941.1 Ų41.134%0.34324%0.236SC..Hα-helixtrans-54.2-36.3-176.265.40000114.1G79 G80 I85 L86 V87G79-S83 PolarHBondContact O-N 2.93Å; G80-S83 PolarHBondContact O-OG 3.37Å; S83-I85 VanDerWaalsContact C-N 3.27Å; S83-I85 PolarHBondContact O-N 3.13Å; S83-L86 PolarHBondContact O-N 2.9Å; S83-V87 WeakPolarHBondContact O-CG2 3.44Å; S83-V87 PolarHBondContact O-N 3.46Å; S83-V87 VanDerWaalsContact O-N 3.11Å
84P98.1Very high97.6Very high10 Ų1039.5 Ų39.57%0.06523%0.229CC..Hα-helixtrans-64.7-32.3176.7-2135.3000112.6F57 I82 S88 L217 H218F57-P84 HydrophobicContact CD2-CB 3.69Å; F57-P84 HydrophobicContact CE2-CB 3.72Å; I82-P84 VanDerWaalsContact C-N 3.29Å; P84-S88 WeakPolarHBondContact O-CB 3.22Å; P84-S88 PolarHBondContact O-N 2.75Å; P84-S88 VanDerWaalsContact O-N 3.12Å; P84-S88 PolarHBondContact O-OG 3.45Å; P84-S88 VanDerWaalsContact O-OG 3.11Å; P84-L217 HydrophobicContact CB-CB 4.2Å; P84-L217 VanDerWaalsContact CB-O 3.27Å; P84-L217 WeakPolarHBondContact CB-O 3.38Å; P84-L217 HydrophobicContact CG-CB 4.01Å; P84-H218 WeakPolarHBondContact CG-CE1 3.19Å
85I98.6Very high97.6Very high0 Ų044.5 Ų44.50%025%0.249CC..Hα-helixtrans-66.9-46.9176.6-58.6173000109.7V62 I82 S83 V87 S88 C89 I150 I212 L217V62-I85 HydrophobicContact CB-CG1 4.36Å; V62-I85 HydrophobicContact CB-CG2 4.35Å; V62-I85 HydrophobicContact CG1-CD1 4.4Å; V62-I85 HydrophobicContact CG1-CG1 4.33Å; V62-I85 HydrophobicContact CG1-CG2 3.72Å; V62-I85 HydrophobicContact CG2-CD1 4.41Å; V62-I85 HydrophobicContact CG2-CG1 4.25Å; I82-I85 HydrophobicContact CG2-CD1 4.49Å; I82-I85 WeakPolarHBondContact O-CB 3.49Å; I82-I85 PolarHBondContact O-N 3.03Å; S83-I85 VanDerWaalsContact C-N 3.27Å; S83-I85 PolarHBondContact O-N 3.13Å; I85-V87 PolarHBondContact O-N 3.49Å; I85-S88 PolarHBondContact O-N 3.16Å; I85-C89 WeakPolarHBondContact O-CB 3.38Å; I85-C89 PolarHBondContact O-N 3.23Å; I85-C89 PolarHBondContact O-SG 2.86Å; I85-C89 VanDerWaalsContact O-SG 3.33Å; I85-I150 HydrophobicContact CD1-CG2 3.85Å; I85-I212 HydrophobicContact CD1-CD1 4.37Å; I85-L217 HydrophobicContact CD1-CD1 3.81Å; I85-L217 HydrophobicContact CD1-CD2 3.89Å; I85-L217 HydrophobicContact CG1-CD1 4.03Å; I85-L217 HydrophobicContact CG1-CD2 3.64Å; I85-L217 HydrophobicContact CG1-CG 4.47Å
86L98.5Very high97.6Very high24 Ų2446.4 Ų46.413%0.12626%0.26CS..Hα-helixtrans-61.8-45.5-177.3-57.1-175.4000111.6V74 T76 C78 I82 S83 S88 C89 E90 V96 C123V74-L86 HydrophobicContact CG1-CD2 4.37Å; T76-L86 HydrophobicContact CG2-CD1 4.19Å; T76-L86 HydrophobicContact CG2-CD2 4.11Å; C78-L86 HydrophobicContact CB-CD1 4.1Å; I82-L86 HydrophobicContact CD1-CD1 4.16Å; I82-L86 HydrophobicContact CD1-CD2 4.37Å; I82-L86 HydrophobicContact CD1-CG 4.37Å; I82-L86 HydrophobicContact CG1-CD1 4.42Å; I82-L86 PolarHBondContact O-N 2.88Å; S83-L86 PolarHBondContact O-N 2.9Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.47Å; L86-C89 PolarHBondContact O-N 2.79Å; L86-E90 PolarHBondContact O-N 2.63Å; L86-E90 VanDerWaalsContact O-N 3.09Å; L86-V96 HydrophobicContact CB-CG2 4.33Å; L86-V96 HydrophobicContact CD2-CG1 4.04Å; L86-V96 HydrophobicContact CD2-CG2 4.38Å; L86-C123 HydrophobicContact CD2-CB 4.45Å
87V98Very high97.6Very high63 Ų6346.4 Ų46.438%0.38226%0.26SS..Hα-helixtrans-62.4-40.8176.4173.40000111.3S83 I85 K91S83-V87 WeakPolarHBondContact O-CG2 3.44Å; S83-V87 PolarHBondContact O-N 3.46Å; S83-V87 VanDerWaalsContact O-N 3.11Å; I85-V87 PolarHBondContact O-N 3.49Å; V87-K91 HydrophobicContact CG1-CD 4.38Å; V87-K91 WeakPolarHBondContact O-CG 3.3Å; V87-K91 PolarHBondContact O-N 2.81Å; V87-K91 VanDerWaalsContact O-N 3.17Å
88S98.4Very high97.6Very high1 Ų147 Ų471%0.00726%0.263CS..Hα-helixtrans-71.8-32.6178.5-68.60000113.3F57 G59 E60 A63 P84 I85 L86 K91 N92F57-S88 WeakPolarHBondContact CE2-OG 3.44Å; F57-S88 WeakPolarHBondContact CZ-OG 3.46Å; G59-S88 VanDerWaalsContact C-CB 3.46Å; G59-S88 VanDerWaalsContact C-OG 3.29Å; G59-S88 WeakPolarHBondContact O-CB 3.49Å; E60-S88 WeakPolarHBondContact CA-OG 3.47Å; E60-S88 WeakPolarHBondContact CG-OG 3.29Å; E60-S88 PolarHBondContact N-OG 2.97Å; A63-S88 VanDerWaalsContact CB-C 3.45Å; A63-S88 WeakPolarHBondContact CB-O 3.26Å; P84-S88 WeakPolarHBondContact O-CB 3.22Å; P84-S88 PolarHBondContact O-N 2.75Å; P84-S88 VanDerWaalsContact O-N 3.12Å; P84-S88 PolarHBondContact O-OG 3.45Å; P84-S88 VanDerWaalsContact O-OG 3.11Å; I85-S88 PolarHBondContact O-N 3.16Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.47Å; S88-K91 PolarHBondContact O-N 2.98Å; S88-N92 WeakPolarHBondContact O-CB 3.42Å; S88-N92 PolarHBondContact O-N 2.76Å; S88-N92 VanDerWaalsContact O-N 3.17Å; S88-N92 PolarHBondContact O-ND2 2.9Å
89C98.6Very high97.7Very high0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-62.3-47.8172.2-77.10000111.2I85 L86 K91 N92 D93 I94 V96I85-C89 WeakPolarHBondContact O-CB 3.38Å; I85-C89 PolarHBondContact O-N 3.23Å; I85-C89 PolarHBondContact O-SG 2.86Å; I85-C89 VanDerWaalsContact O-SG 3.33Å; L86-C89 PolarHBondContact O-N 2.79Å; C89-K91 VanDerWaalsContact C-N 3.33Å; C89-K91 PolarHBondContact O-N 3.28Å; C89-N92 CarbonylContact O-C 3.39Å; C89-N92 PolarHBondContact O-N 3.5Å; C89-D93 PolarHBondContact O-N 3.35Å; C89-I94 CarbonylContact C-O 3.53Å; C89-I94 HydrophobicContact CB-CB 3.94Å; C89-I94 HydrophobicContact CB-CG2 4.24Å; C89-I94 WeakPolarHBondContact O-CB 3.34Å; C89-I94 PolarHBondContact O-N 3.35Å; C89-V96 HydrophobicContact CB-CG2 4Å
90E97.9Very high97.9Very high138 Ų13848.1 Ų48.165%0.64525%0.249SC*.Hα-helixtrans-55.7-48.4175.9179.6-176.9-129.600111.2L86 N92 D93L86-E90 PolarHBondContact O-N 2.63Å; L86-E90 VanDerWaalsContact O-N 3.09Å; E90-N92 PolarHBondContact O-N 3.31Å; E90-N92 VanDerWaalsContact O-N 3.16Å; E90-D93 PolarHBondContact O-N 2.93Å; E90-D93 VanDerWaalsContact O-N 3.16Å
91K97.8Very high98.1Very high134 Ų13447.4 Ų47.458%0.58324%0.235SC*.Hα-helixtrans-62.1-21.1177.2-70.6174.9-178.8178.70114.4V87 S88 C89V87-K91 HydrophobicContact CG1-CD 4.38Å; V87-K91 WeakPolarHBondContact O-CG 3.3Å; V87-K91 PolarHBondContact O-N 2.81Å; V87-K91 VanDerWaalsContact O-N 3.17Å; S88-K91 PolarHBondContact O-N 2.98Å; C89-K91 VanDerWaalsContact C-N 3.33Å; C89-K91 PolarHBondContact O-N 3.28Å
92N97.2Very high98.2Very high41 Ų4147 Ų4722%0.21923%0.233CC..THydrogen-bonded Turntrans-101.516.5-179.6-85.2-82.9000113A63 K67 S88 C89 E90 I94A63-N92 HydrophobicContact CB-CB 4.22Å; K67-N92 WeakPolarHBondContact CD-O 3.38Å; K67-N92 WeakPolarHBondContact CE-O 3.49Å; K67-N92 PolarHBondContact NZ-O 3.21Å; S88-N92 WeakPolarHBondContact O-CB 3.42Å; S88-N92 PolarHBondContact O-N 2.76Å; S88-N92 VanDerWaalsContact O-N 3.17Å; S88-N92 PolarHBondContact O-ND2 2.9Å; C89-N92 CarbonylContact O-C 3.39Å; C89-N92 PolarHBondContact O-N 3.5Å; E90-N92 PolarHBondContact O-N 3.31Å; E90-N92 VanDerWaalsContact O-N 3.16Å; N92-I94 HydrophobicContact CB-CD1 4.48Å; N92-I94 HydrophobicContact CB-CG1 4.4Å; N92-I94 PolarHBondContact O-N 3.32Å
93D97.7Very high98.2Very high136 Ų13647.9 Ų47.973%0.72724%0.241SC*.THydrogen-bonded Turntrans53.338.4-175-47.2-59.1000112.7C89 E90C89-D93 PolarHBondContact O-N 3.35Å; E90-D93 PolarHBondContact O-N 2.93Å; E90-D93 VanDerWaalsContact O-N 3.16Å
94I98.5Very high98.3Very high1 Ų145.9 Ų45.91%0.00523%0.227CC..  trans-103.2112.6167-55.8176.6000106.3L66 K67 V71 V74 C89 N92 V96L66-I94 HydrophobicContact CB-CD1 3.75Å; K67-I94 HydrophobicContact CB-CD1 4.16Å; K67-I94 HydrophobicContact CD-CG1 4.29Å; V71-I94 HydrophobicContact CG1-CG2 4.18Å; V74-I94 HydrophobicContact CB-CG2 4.5Å; V74-I94 HydrophobicContact CG2-CG2 3.86Å; C89-I94 CarbonylContact C-O 3.53Å; C89-I94 HydrophobicContact CB-CB 3.94Å; C89-I94 HydrophobicContact CB-CG2 4.24Å; C89-I94 WeakPolarHBondContact O-CB 3.34Å; C89-I94 PolarHBondContact O-N 3.35Å; N92-I94 HydrophobicContact CB-CD1 4.48Å; N92-I94 HydrophobicContact CB-CG1 4.4Å; N92-I94 PolarHBondContact O-N 3.32Å; I94-V96 PolarHBondContact O-N 3.47Å
95R98.3Very high98.3Very high106 Ų10645.4 Ų45.440%0.422%0.224SC..EExtended strand (participates in β ladder)trans-67.4121.7-176.9178.4177175.1179.4-2.7110K72 W73 V74 V97 H546K72-R95 PolarHBondContact O-N 3.46Å; W73-R95 VanDerWaalsContact CA-O 3.3Å; W73-R95 WeakPolarHBondContact CA-O 3.15Å; V74-R95 PolarHBondContact N-O 3.4Å; R95-V97 HydrophobicContact CG-CG2 3.95Å; R95-H546 PolarHBondContact NH2-ND1 2.87Å; R95-H546 PolarHBondContact NH2-O 3Å; R95-H546 VanDerWaalsContact NH2-O 3.12Å
96V98.5Very high98.3Very high39 Ų3945.5 Ų45.524%0.23623%0.225CC..EExtended strand (participates in β ladder)trans-80.5122.3169.5179.20000108.4T76 L86 C89 I94T76-V96 HydrophobicContact CG2-CG1 3.63Å; L86-V96 HydrophobicContact CB-CG2 4.33Å; L86-V96 HydrophobicContact CD2-CG1 4.04Å; L86-V96 HydrophobicContact CD2-CG2 4.38Å; C89-V96 HydrophobicContact CB-CG2 4Å; I94-V96 PolarHBondContact O-N 3.47Å
97V98.6Very high98.3Very high0 Ų044.8 Ų44.80%022%0.221CC..EExtended strand (participates in β ladder)trans-115.998.5-179.9-1760000108.3W73 V74 F75 T76 R95 L513 L517W73-V97 HydrophobicContact CB-CG2 4.44Å; V74-V97 PolarHBondContact O-N 2.84Å; F75-V97 WeakPolarHBondContact CA-O 3.4Å; F75-V97 HydrophobicContact CD1-CB 3.73Å; F75-V97 HydrophobicContact CD1-CG1 3.85Å; F75-V97 HydrophobicContact CD1-CG2 4.45Å; F75-V97 HydrophobicContact CE1-CB 3.96Å; F75-V97 HydrophobicContact CE1-CG1 3.95Å; F75-V97 HydrophobicContact CE1-CG2 4.25Å; T76-V97 PolarHBondContact N-O 3.48Å; R95-V97 HydrophobicContact CG-CG2 3.95Å; V97-L513 HydrophobicContact CG1-CD1 4.25Å; V97-L513 HydrophobicContact CG1-CD2 3.79Å; V97-L513 HydrophobicContact CG1-CG 4.24Å; V97-L517 HydrophobicContact CG1-CD1 4.16Å; V97-L517 HydrophobicContact CG2-CD1 3.86Å
98D98.2Very high98.4Very high58 Ų5841.8 Ų41.831%0.3120%0.202SC..EExtended strand (participates in β ladder)trans-87.9136.2-178.765.2-59.9000112.5T76 R545 H546T76-D98 HydrophobicContact CG2-CB 3.88Å; T76-D98 CarbonylContact O-C 3.47Å; T76-D98 WeakPolarHBondContact O-CA 3.41Å; D98-R545 PolarHBondContact O-NH1 3.38Å; D98-R545 PolarHBondContact O-NH2 3.15Å; D98-R545 IonicContact OD1-CZ 2.77Å; D98-R545 IonicContact OD1-NH1 2.87Å; D98-R545 PolarHBondContact OD1-NH1 3.13Å; D98-R545 IonicContact OD2-CZ 2.71Å; D98-R545 VanDerWaalsContact OD2-CZ 3.24Å; D98-R545 IonicContact OD2-NH1 3.45Å; D98-R545 PolarHBondContact OD2-NH1 2.79Å; D98-R545 IonicContact OD2-NH2 3.14Å; D98-R545 PolarHBondContact OD2-NH2 3.47Å; D98-H546 PolarHBondContact N-NE2 2.91Å; D98-H546 PolarHBondContact O-NE2 2.71Å; D98-H546 IonicContact OD1-CE1 2.86Å; D98-H546 PolarHBondContact OD1-CE1 3.43Å; D98-H546 VanDerWaalsContact OD1-CE1 3.31Å; D98-H546 IonicContact OD1-NE2 3.38Å; D98-H546 PolarHBondContact OD1-NE2 2.9Å
99T98.6Very high98.4Very high5 Ų541.8 Ų41.83%0.03120%0.202CC..  trans-115175.5-176.156.40000112.1T76 S101 T104 A105 L513 S542T76-T99 PolarHBondContact O-N 3.28Å; T76-T99 PolarHBondContact O-OG1 2.82Å; T99-S101 PolarHBondContact OG1-O 2.72Å; T99-T104 HydrophobicContact CG2-CG2 3.95Å; T99-A105 HydrophobicContact CG2-CB 4.43Å; T99-L513 HydrophobicContact CG2-CD2 3.82Å; T99-S542 WeakPolarHBondContact CA-OG 3.45Å
100R98.4Very high98.4Very high127 Ų12741.8 Ų41.848%0.47920%0.202SC..SBendtrans-88.6-10.7176.1-59-57.6-66.7-101.3-5.5113.9L77 A538 E539 D541 S542L77-R100 VanDerWaalsContact CD1-C 3.44Å; L77-R100 WeakPolarHBondContact CD1-O 3.49Å; R100-A538 HydrophobicContact CB-CB 4.21Å; R100-A538 WeakPolarHBondContact CG-O 3.4Å; R100-E539 WeakPolarHBondContact CA-OE1 3.3Å; R100-E539 WeakPolarHBondContact CB-OE1 3.12Å; R100-E539 PolarHBondContact N-OE1 3.29Å; R100-E539 VanDerWaalsContact N-OE1 3.1Å; R100-E539 PolarHBondContact N-OE2 2.95Å; R100-D541 WeakPolarHBondContact CD-OD2 3.48Å; R100-D541 HydrophobicContact CG-CB 4.07Å; R100-D541 VanDerWaalsContact NH1-CG 3.26Å; R100-D541 IonicContact NH1-OD1 3.44Å; R100-D541 PolarHBondContact NH1-OD1 3.36Å; R100-D541 IonicContact NH1-OD2 3.61Å; R100-S542 PolarHBondContact N-OG 3.31Å
101S98.3Very high98.4Very high39 Ų3935.2 Ų35.227%0.27317%0.171SC..SBendtrans-143.8143.9173.5173.50000111.7T99 A103 T104 A105 E539T99-S101 PolarHBondContact OG1-O 2.72Å; S101-A103 PolarHBondContact O-N 3.38Å; S101-A103 PolarHBondContact OG-N 2.94Å; S101-T104 WeakPolarHBondContact O-CB 3.48Å; S101-T104 PolarHBondContact O-N 3.29Å; S101-A105 PolarHBondContact O-N 3.4Å; S101-E539 PolarHBondContact N-OE1 3.37Å
102E98.7Very high98.4Very high15 Ų1529 Ų297%0.0715%0.145CC..Hα-helixtrans-63.2-29.3172.3-64.388.7165.300112.6L77 T104 A105 A106 V124 G129 N132 T133L77-E102 HydrophobicContact CB-CG 3.83Å; E102-T104 VanDerWaalsContact C-N 3.34Å; E102-A105 PolarHBondContact O-N 3.23Å; E102-A106 PolarHBondContact O-N 3.28Å; E102-V124 HydrophobicContact CB-CG1 3.92Å; E102-V124 HydrophobicContact CG-CB 4.16Å; E102-V124 HydrophobicContact CG-CG1 3.74Å; E102-G129 WeakPolarHBondContact CG-O 3.49Å; E102-G129 WeakPolarHBondContact OE1-CA 3.24Å; E102-N132 HydrophobicContact CB-CB 3.79Å; E102-N132 HydrophobicContact CG-CB 4.29Å; E102-N132 WeakPolarHBondContact OE2-CB 3.44Å; E102-N132 PolarHBondContact OE2-ND2 3.49Å; E102-T133 HydrophobicContact CB-CG2 3.89Å
103A98.4Very high98.4Very high20 Ų2027.9 Ų27.917%0.16514%0.14CC..Hα-helixtrans-60.7-46.417400000110.4S101 A105 A106 F107S101-A103 PolarHBondContact O-N 3.38Å; S101-A103 PolarHBondContact OG-N 2.94Å; A103-A105 VanDerWaalsContact C-N 3.34Å; A103-A105 PolarHBondContact O-N 2.96Å; A103-A106 PolarHBondContact O-N 3.19Å; A103-F107 HydrophobicContact CB-CD2 4.42Å; A103-F107 HydrophobicContact CB-CE2 4.07Å; A103-F107 WeakPolarHBondContact O-CD2 3.28Å; A103-F107 WeakPolarHBondContact O-CG 3.4Å; A103-F107 PolarHBondContact O-N 2.93Å
104T98.7Very high98.4Very high7 Ų722 Ų224%0.04311%0.108CC..Hα-helixtrans-60.3-43.4176.6-50.30000111.5T99 S101 E102 A106 F107 A108 A509 E539T99-T104 HydrophobicContact CG2-CG2 3.95Å; S101-T104 WeakPolarHBondContact O-CB 3.48Å; S101-T104 PolarHBondContact O-N 3.29Å; E102-T104 VanDerWaalsContact C-N 3.34Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.16Å; T104-F107 PolarHBondContact O-N 3.39Å; T104-A108 WeakPolarHBondContact O-CB 3.34Å; T104-A108 PolarHBondContact O-N 2.82Å; T104-A509 HydrophobicContact CG2-CB 4.46Å; T104-E539 WeakPolarHBondContact CB-OE1 3.38Å; T104-E539 HydrophobicContact CG2-CB 4.44Å; T104-E539 VanDerWaalsContact CG2-CD 3.47Å; T104-E539 HydrophobicContact CG2-CG 3.68Å; T104-E539 WeakPolarHBondContact OG1-CG 3.42Å; T104-E539 PolarHBondContact OG1-OE1 2.95Å
105A98.8Very high98.3Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-59-44.7176.400000111.8F75 T99 S101 E102 A103 A108 A109F75-A105 HydrophobicContact CB-CB 3.8Å; F75-A105 VanDerWaalsContact CB-O 3.28Å; F75-A105 WeakPolarHBondContact CB-O 3.42Å; T99-A105 HydrophobicContact CG2-CB 4.43Å; S101-A105 PolarHBondContact O-N 3.4Å; E102-A105 PolarHBondContact O-N 3.23Å; A103-A105 VanDerWaalsContact C-N 3.34Å; A103-A105 PolarHBondContact O-N 2.96Å; A105-A108 PolarHBondContact O-N 3.1Å; A105-A109 PolarHBondContact O-N 3.23Å
106A98.7Very high98Very high2 Ų218.8 Ų18.82%0.01711%0.105CC..Hα-helixtrans-68.2-36.9176.500000112.8E102 A103 T104 A109 D110 A122 T133 A136 I149E102-A106 PolarHBondContact O-N 3.28Å; A103-A106 PolarHBondContact O-N 3.19Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.16Å; A106-A109 PolarHBondContact O-N 3.04Å; A106-D110 WeakPolarHBondContact O-CB 3.45Å; A106-D110 PolarHBondContact O-N 3.12Å; A106-A122 HydrophobicContact CB-CB 4.41Å; A106-T133 HydrophobicContact CB-CG2 4.27Å; A106-A136 HydrophobicContact CB-CB 3.47Å; A106-A136 VanDerWaalsContact CB-CB 3.47Å; A106-I149 HydrophobicContact CB-CD1 4.32Å
107F98.8Very high97.9Very high9 Ų918.8 Ų18.84%0.03910%0.102CC..Hα-helixtrans-64.8-39.4172.5-70.6-51000112.2A103 T104 D110 A111 A136 N139 T504 V507 F511A103-F107 HydrophobicContact CB-CD2 4.42Å; A103-F107 HydrophobicContact CB-CE2 4.07Å; A103-F107 WeakPolarHBondContact O-CD2 3.28Å; A103-F107 WeakPolarHBondContact O-CG 3.4Å; A103-F107 PolarHBondContact O-N 2.93Å; T104-F107 PolarHBondContact O-N 3.39Å; F107-D110 WeakPolarHBondContact O-CB 3.46Å; F107-D110 PolarHBondContact O-N 3.15Å; F107-A111 PolarHBondContact O-N 3.49Å; F107-A136 HydrophobicContact CD1-CB 3.57Å; F107-A136 HydrophobicContact CD2-CB 4.13Å; F107-A136 HydrophobicContact CE1-CB 3.44Å; F107-A136 VanDerWaalsContact CE1-CB 3.44Å; F107-A136 HydrophobicContact CE2-CB 4.03Å; F107-A136 HydrophobicContact CG-CB 3.9Å; F107-A136 HydrophobicContact CZ-CB 3.68Å; F107-N139 HydrophobicContact CE1-CB 3.98Å; F107-T504 HydrophobicContact CE1-CG2 4.03Å; F107-T504 HydrophobicContact CZ-CG2 3.68Å; F107-V507 HydrophobicContact CD1-CB 4.14Å; F107-V507 HydrophobicContact CD1-CG1 3.78Å; F107-V507 HydrophobicContact CE1-CB 4.3Å; F107-V507 HydrophobicContact CE1-CG1 3.48Å; F107-V507 VanDerWaalsContact CE1-CG1 3.48Å; F107-V507 HydrophobicContact CE2-CG1 4.43Å; F107-V507 HydrophobicContact CG-CB 4.37Å; F107-V507 HydrophobicContact CG-CG1 4.4Å; F107-V507 HydrophobicContact CZ-CG1 3.86Å; F107-F511 HydrophobicContact CB-CD1 3.98Å; F107-F511 HydrophobicContact CB-CE1 4.03Å; F107-F511 HydrophobicContact CD1-CE1 4.12Å; F107-F511 HydrophobicContact CG-CE1 4.49Å; F107-F511 WeakPolarHBondContact O-CD1 3.35Å; F107-F511 VanDerWaalsContact O-CE1 3.29Å; F107-F511 WeakPolarHBondContact O-CE1 3.18Å
108A98.8Very high97.6Very high0 Ų020.9 Ų20.90%012%0.116CC..Hα-helixtrans-64.5-42.3175.700000111.9F75 T104 A105 D110 A111 V112 G510 L513F75-A108 HydrophobicContact CD1-CB 3.42Å; F75-A108 VanDerWaalsContact CD1-CB 3.42Å; F75-A108 HydrophobicContact CD2-CB 4.11Å; F75-A108 HydrophobicContact CE1-CB 3.49Å; F75-A108 VanDerWaalsContact CE1-CB 3.49Å; F75-A108 HydrophobicContact CE2-CB 4.18Å; F75-A108 HydrophobicContact CG-CB 3.74Å; F75-A108 HydrophobicContact CZ-CB 3.88Å; T104-A108 WeakPolarHBondContact O-CB 3.34Å; T104-A108 PolarHBondContact O-N 2.82Å; A105-A108 PolarHBondContact O-N 3.1Å; A108-D110 VanDerWaalsContact C-N 3.34Å; A108-D110 PolarHBondContact O-N 2.96Å; A108-A111 PolarHBondContact O-N 3.07Å; A108-V112 WeakPolarHBondContact O-CG2 3.17Å; A108-V112 PolarHBondContact O-N 3.47Å; A108-G510 WeakPolarHBondContact CA-O 3.16Å; A108-G510 VanDerWaalsContact CB-O 3.29Å; A108-G510 WeakPolarHBondContact CB-O 3.39Å; A108-L513 HydrophobicContact CB-CD2 4.42Å
109A98.8Very high97.6Very high0 Ų018.5 Ų18.50%010%0.103CC..Hα-helixtrans-60.4-42.117200000112.3F75 A105 A106 V112 S113 G120 A122 V147F75-A109 HydrophobicContact CD2-CB 3.99Å; A105-A109 PolarHBondContact O-N 3.23Å; A106-A109 PolarHBondContact O-N 3.04Å; A109-V112 PolarHBondContact O-N 3.24Å; A109-S113 PolarHBondContact O-N 3.19Å; A109-S113 PolarHBondContact O-OG 3.3Å; A109-G120 WeakPolarHBondContact O-CA 3.4Å; A109-A122 HydrophobicContact CB-CB 4.14Å; A109-V147 HydrophobicContact CB-CG1 3.96Å
110D98.6Very high97.6Very high0 Ų018.3 Ų18.30%010%0.102CC..Hα-helixtrans-57.5-52.4173.4-179.511.7000110.9A106 F107 A108 V112 S113 R114 N139 A140 S145 V147 F511A106-D110 WeakPolarHBondContact O-CB 3.45Å; A106-D110 PolarHBondContact O-N 3.12Å; F107-D110 WeakPolarHBondContact O-CB 3.46Å; F107-D110 PolarHBondContact O-N 3.15Å; A108-D110 VanDerWaalsContact C-N 3.34Å; A108-D110 PolarHBondContact O-N 2.96Å; D110-V112 PolarHBondContact O-N 2.88Å; D110-S113 WeakPolarHBondContact O-CB 3.42Å; D110-S113 PolarHBondContact O-N 3.1Å; D110-S113 VanDerWaalsContact O-N 3.11Å; D110-R114 WeakPolarHBondContact O-CG 3.33Å; D110-R114 PolarHBondContact O-N 2.83Å; D110-R114 VanDerWaalsContact O-N 3.07Å; D110-R114 IonicContact OD1-CZ 3.39Å; D110-R114 IonicContact OD1-NE 3.76Å; D110-R114 PolarHBondContact OD1-NE 3.5Å; D110-R114 IonicContact OD1-NH2 2.71Å; D110-R114 PolarHBondContact OD1-NH2 2.67Å; D110-R114 IonicContact OD2-CZ 2.7Å; D110-R114 IonicContact OD2-NE 3.22Å; D110-R114 IonicContact OD2-NH2 3.74Å; D110-R114 PolarHBondContact OD2-NH2 3.05Å; D110-N139 PolarHBondContact OD2-ND2 3.22Å; D110-A140 HydrophobicContact CB-CB 4.17Å; D110-S145 WeakPolarHBondContact OD1-CB 3.27Å; D110-S145 PolarHBondContact OD1-OG 3.47Å; D110-V147 HydrophobicContact CB-CG2 4.26Å; D110-F511 HydrophobicContact CB-CE1 4.08Å
111A98.5Very high97.7Very high0 Ų012.3 Ų12.30%08%0.079CC..Hα-helixtrans-59-44.4179.200000113.7F107 A108 S113 R114 L115 L497 F511F107-A111 PolarHBondContact O-N 3.49Å; A108-A111 PolarHBondContact O-N 3.07Å; A111-S113 PolarHBondContact O-N 3.33Å; A111-R114 WeakPolarHBondContact O-CB 3.45Å; A111-R114 PolarHBondContact O-N 3.27Å; A111-L115 WeakPolarHBondContact O-CD1 3.18Å; A111-L115 VanDerWaalsContact O-CG 3.24Å; A111-L115 WeakPolarHBondContact O-CG 3.43Å; A111-L115 PolarHBondContact O-N 3.38Å; A111-L497 HydrophobicContact CB-CD1 4.06Å; A111-F511 HydrophobicContact CB-CB 4.13Å; A111-F511 HydrophobicContact CB-CD1 3.69Å; A111-F511 HydrophobicContact CB-CE1 4.31Å; A111-F511 HydrophobicContact CB-CG 4.01Å
112V98Very high97.7Very high5 Ų510.4 Ų10.43%0.037%0.066CC..Hα-helixtrans-54-42.9175.8164.90000111.2W73 F75 A108 A109 D110 R114 L115 E117W73-V112 HydrophobicContact CE3-CG1 4.41Å; W73-V112 HydrophobicContact CE3-CG2 4.5Å; F75-V112 HydrophobicContact CE2-CB 4.39Å; F75-V112 HydrophobicContact CE2-CG2 3.63Å; F75-V112 HydrophobicContact CZ-CG2 3.65Å; A108-V112 WeakPolarHBondContact O-CG2 3.17Å; A108-V112 PolarHBondContact O-N 3.47Å; A109-V112 PolarHBondContact O-N 3.24Å; D110-V112 PolarHBondContact O-N 2.88Å; V112-R114 PolarHBondContact O-N 3.09Å; V112-L115 PolarHBondContact O-N 3.24Å; V112-E117 HydrophobicContact CG1-CB 3.57Å; V112-E117 HydrophobicContact CG1-CG 3.76Å; V112-E117 WeakPolarHBondContact O-CB 3.34Å; V112-E117 PolarHBondContact O-N 3.04Å
113S97.4Very high97.7Very high17 Ų179.7 Ų9.712%0.1196%0.063CC..Hα-helixtrans-65.4-39176.8-47.90000112.5A109 D110 A111 L115 G116 G120 A146A109-S113 PolarHBondContact O-N 3.19Å; A109-S113 PolarHBondContact O-OG 3.3Å; D110-S113 WeakPolarHBondContact O-CB 3.42Å; D110-S113 PolarHBondContact O-N 3.1Å; D110-S113 VanDerWaalsContact O-N 3.11Å; A111-S113 PolarHBondContact O-N 3.33Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.07Å; S113-G116 PolarHBondContact O-N 2.9Å; S113-G120 WeakPolarHBondContact OG-CA 3.4Å; S113-G120 PolarHBondContact OG-N 2.9Å; S113-A146 PolarHBondContact OG-O 3Å
114R96.4Very high97.7Very high13 Ų138.8 Ų8.85%0.0496%0.055CC..Hα-helixtrans-70.2-24.4178.4-62.4-176.9-168.6-154.69.9112.9D110 A111 V112 G116 N139 S145 M324 L494 L497 D498D110-R114 WeakPolarHBondContact O-CG 3.33Å; D110-R114 PolarHBondContact O-N 2.83Å; D110-R114 VanDerWaalsContact O-N 3.07Å; D110-R114 IonicContact OD1-CZ 3.39Å; D110-R114 IonicContact OD1-NE 3.76Å; D110-R114 PolarHBondContact OD1-NE 3.5Å; D110-R114 IonicContact OD1-NH2 2.71Å; D110-R114 PolarHBondContact OD1-NH2 2.67Å; D110-R114 IonicContact OD2-CZ 2.7Å; D110-R114 IonicContact OD2-NE 3.22Å; D110-R114 IonicContact OD2-NH2 3.74Å; D110-R114 PolarHBondContact OD2-NH2 3.05Å; A111-R114 WeakPolarHBondContact O-CB 3.45Å; A111-R114 PolarHBondContact O-N 3.27Å; V112-R114 PolarHBondContact O-N 3.09Å; R114-G116 VanDerWaalsContact C-N 3.26Å; R114-G116 PolarHBondContact O-N 2.84Å; R114-N139 PolarHBondContact NH2-ND2 2.7Å; R114-S145 PolarHBondContact NE-OG 2.88Å; R114-M324 HydrophobicContact CB-SD 3.83Å; R114-M324 HydrophobicContact CG-SD 3.6Å; R114-M324 VanDerWaalsContact CG-SD 3.6Å; R114-L494 WeakPolarHBondContact O-CD2 3.37Å; R114-L497 HydrophobicContact CB-CD2 3.83Å; R114-D498 PolarHBondContact NH1-O 2.88Å
115L96.3Very high97.7Very high12 Ų128.8 Ų8.86%0.0636%0.055CC..THydrogen-bonded Turntrans-86.96.4179.7-67164.6000113.4A111 V112 S113 I472 L494 L497 A515 C518A111-L115 WeakPolarHBondContact O-CD1 3.18Å; A111-L115 VanDerWaalsContact O-CG 3.24Å; A111-L115 WeakPolarHBondContact O-CG 3.43Å; A111-L115 PolarHBondContact O-N 3.38Å; V112-L115 PolarHBondContact O-N 3.24Å; S113-L115 VanDerWaalsContact C-N 3.27Å; S113-L115 PolarHBondContact O-N 3.07Å; L115-I472 HydrophobicContact CD2-CD1 4.35Å; L115-L494 WeakPolarHBondContact CD2-O 3.3Å; L115-L497 HydrophobicContact CD1-CD1 4.25Å; L115-L497 HydrophobicContact CD2-CD1 4.31Å; L115-L497 HydrophobicContact CD2-CD2 4.46Å; L115-L497 HydrophobicContact CG-CD1 4.38Å; L115-A515 VanDerWaalsContact CD1-CA 3.41Å; L115-A515 HydrophobicContact CD1-CB 4Å; L115-C518 HydrophobicContact CB-CB 4.29Å; L115-C518 HydrophobicContact CD1-CB 3.98Å
116G93Very high97.6Very high27 Ų278.8 Ų8.828%0.2786%0.056SC..THydrogen-bonded Turntrans100.9-0.9170.500000114.7S113 R114S113-G116 PolarHBondContact O-N 2.9Å; R114-G116 VanDerWaalsContact C-N 3.26Å; R114-G116 PolarHBondContact O-N 2.84Å
117E95.5Very high97.5Very high39 Ų398.8 Ų8.818%0.1826%0.056CC..  trans-66.9147.5171.4-67.8-69.7168.800110.6K72 W73 V112 I119K72-E117 IonicContact NZ-OE1 3.24Å; K72-E117 PolarHBondContact NZ-OE1 3.21Å; K72-E117 IonicContact NZ-OE2 3.55Å; W73-E117 HydrophobicContact CZ3-CG 4.22Å; V112-E117 HydrophobicContact CG1-CB 3.57Å; V112-E117 HydrophobicContact CG1-CG 3.76Å; V112-E117 WeakPolarHBondContact O-CB 3.34Å; V112-E117 PolarHBondContact O-N 3.04Å; E117-I119 VanDerWaalsContact C-N 3.26Å; E117-I119 PolarHBondContact O-N 3.07Å
118P93.6Very high97.4Very high44 Ų4411.2 Ų11.229%0.2867%0.072SC..SBendtrans-57.9-36.4-172.8-28.136000114.5R201P118-R201 WeakPolarHBondContact O-CD 3.34Å; P118-R201 WeakPolarHBondContact O-CG 3.24Å; P118-R201 PolarHBondContact O-NE 3.32Å
119I98.1Very high97.4Very high7 Ų711.2 Ų11.24%0.0367%0.072CC..  trans-159.5137.3179.2-163.4172.3000110.4V71 E117 V121 A146 L148 I197 A200V71-I119 HydrophobicContact CG2-CG2 3.72Å; E117-I119 VanDerWaalsContact C-N 3.26Å; E117-I119 PolarHBondContact O-N 3.07Å; I119-V121 HydrophobicContact CG2-CG2 4.26Å; I119-A146 VanDerWaalsContact CG1-O 3.25Å; I119-A146 WeakPolarHBondContact CG1-O 3.46Å; I119-L148 HydrophobicContact CD1-CB 3.6Å; I119-L148 HydrophobicContact CG1-CB 4.33Å; I119-I197 HydrophobicContact CD1-CB 4.1Å; I119-I197 HydrophobicContact CD1-CG1 3.77Å; I119-I197 HydrophobicContact CD1-CG2 3.91Å; I119-A200 HydrophobicContact CD1-CB 4.15Å
120G98.7Very high97.4Very high1 Ų111.2 Ų11.21%0.017%0.072CC..EExtended strand (participates in β ladder)trans-88.3142.6166.500000111.6A109 S113 A146 V147 L148A109-G120 WeakPolarHBondContact O-CA 3.4Å; S113-G120 WeakPolarHBondContact OG-CA 3.4Å; S113-G120 PolarHBondContact OG-N 2.9Å; G120-A146 PolarHBondContact N-O 2.74Å; G120-A146 VanDerWaalsContact N-O 3.16Å; G120-V147 CarbonylContact O-C 3.51Å; G120-V147 WeakPolarHBondContact O-CA 2.94Å; G120-L148 PolarHBondContact O-N 2.95Å
121V98.9Very high97.4Very high1 Ų113.4 Ų13.41%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-126.6123.4-177.2-174.20000111.1L66 V71 V74 F75 I119 L148 I150L66-V121 HydrophobicContact CD1-CG1 4.34Å; L66-V121 HydrophobicContact CD2-CG1 4.41Å; L66-V121 HydrophobicContact CD2-CG2 4.18Å; V71-V121 HydrophobicContact CB-CG2 4.48Å; V71-V121 HydrophobicContact CG1-CB 4.31Å; V71-V121 HydrophobicContact CG1-CG2 3.8Å; V71-V121 HydrophobicContact CG2-CG2 3.78Å; V74-V121 HydrophobicContact CG2-CB 4.27Å; V74-V121 HydrophobicContact CG2-CG1 4.02Å; F75-V121 WeakPolarHBondContact CD2-O 3.47Å; F75-V121 PolarHBondContact N-O 2.85Å; I119-V121 HydrophobicContact CG2-CG2 4.26Å; V121-L148 WeakPolarHBondContact CA-O 3.33Å; V121-L148 HydrophobicContact CG1-CD2 4.45Å; V121-L148 HydrophobicContact CG2-CB 4.37Å; V121-L148 HydrophobicContact CG2-CD2 4.48Å; V121-I150 HydrophobicContact CG1-CD1 4.27Å
122A98.8Very high97.4Very high0 Ų017.1 Ų17.10%011%0.105CC..EExtended strand (participates in β ladder)trans-113.5132.3166.500000109.8F75 A106 A109 L148 I149 I150F75-A122 CarbonylContact O-C 3.55Å; F75-A122 VanDerWaalsContact O-CA 3.27Å; F75-A122 WeakPolarHBondContact O-CA 3.27Å; A106-A122 HydrophobicContact CB-CB 4.41Å; A109-A122 HydrophobicContact CB-CB 4.14Å; A122-L148 PolarHBondContact N-O 3.28Å; A122-I149 HydrophobicContact CB-CD1 3.8Å; A122-I149 WeakPolarHBondContact O-CA 3.39Å; A122-I150 PolarHBondContact O-N 3.11Å
123C98.7Very high97.4Very high0 Ų016.9 Ų16.90%010%0.104CC..EExtended strand (participates in β ladder)trans-119.8117.3179.2-1690000108.9V74 F75 T76 I82 L86 I150V74-C123 HydrophobicContact CG1-CB 3.49Å; V74-C123 VanDerWaalsContact CG1-CB 3.49Å; F75-C123 PolarHBondContact O-N 2.82Å; T76-C123 WeakPolarHBondContact CA-O 3.11Å; T76-C123 WeakPolarHBondContact CB-O 3.5Å; T76-C123 PolarHBondContact OG1-O 2.95Å; I82-C123 HydrophobicContact CD1-CB 4.44Å; I82-C123 WeakPolarHBondContact CD1-O 3.39Å; L86-C123 HydrophobicContact CD2-CB 4.45Å; C123-I150 WeakPolarHBondContact CA-O 3.33Å; C123-I150 HydrophobicContact CB-CB 4.49Å
124V98.6Very high97.4Very high0 Ų018.4 Ų18.40%011%0.111CC..EExtended strand (participates in β ladder)trans-132.4149.8-172.2-62.80000111.7I82 E102 V130 T133 I149 I150 G151 G152I82-V124 VanDerWaalsContact CG2-O 3.24Å; I82-V124 WeakPolarHBondContact CG2-O 3.38Å; E102-V124 HydrophobicContact CB-CG1 3.92Å; E102-V124 HydrophobicContact CG-CB 4.16Å; E102-V124 HydrophobicContact CG-CG1 3.74Å; V124-V130 HydrophobicContact CG2-CG2 3.89Å; V124-T133 HydrophobicContact CB-CG2 4.43Å; V124-T133 HydrophobicContact CG1-CG2 3.83Å; V124-T133 HydrophobicContact CG2-CG2 3.98Å; V124-I149 HydrophobicContact CG2-CG2 4.41Å; V124-I150 PolarHBondContact N-O 3.3Å; V124-G151 WeakPolarHBondContact O-CA 3.25Å; V124-G152 PolarHBondContact O-N 3.01Å
125T98Very high97.5Very high7 Ų721.6 Ų21.64%0.04313%0.132CC..  trans-66.9166.1177.5-169.20000112.1H81 G129 V130 Q165H81-T125 PolarHBondContact ND1-OG1 3.38Å; T125-G129 CarbonylContact O-C 3.47Å; T125-G129 VanDerWaalsContact O-CA 3.32Å; T125-G129 WeakPolarHBondContact O-CA 3.07Å; T125-V130 PolarHBondContact O-N 3.14Å; T125-Q165 PolarHBondContact OG1-OE1 3.17Å
126A97.4Very high97.6Very high1 Ų121 Ų211%0.00813%0.129CC..THydrogen-bonded Turntrans-58.6161.8177.500000113.1H81 P128 G129 G152 Q165H81-A126 HydrophobicContact CB-CB 4.37Å; A126-P128 WeakPolarHBondContact O-CD 3.23Å; A126-G129 PolarHBondContact O-N 3.26Å; A126-G152 WeakPolarHBondContact CA-O 3.37Å; A126-G152 VanDerWaalsContact CB-O 3.25Å; A126-G152 WeakPolarHBondContact CB-O 3.49Å; A126-Q165 HydrophobicContact CB-CB 4.05Å; A126-Q165 PolarHBondContact O-OE1 3.05Å
127G96.9Very high97.9Very high2 Ų219.8 Ų19.82%0.02112%0.116CC..THydrogen-bonded Turntrans65-112.9169.300000112.3G129 V130 T131 Q165G127-G129 PolarHBondContact O-N 2.84Å; G127-V130 PolarHBondContact O-N 2.96Å; G127-V130 VanDerWaalsContact O-N 3.15Å; G127-T131 PolarHBondContact O-N 3.33Å; G127-T131 PolarHBondContact O-OG1 3.02Å; G127-Q165 WeakPolarHBondContact CA-O 3.46Å; G127-Q165 PolarHBondContact N-O 2.65Å
128P97.4Very high98Very high59 Ų5919.8 Ų19.838%0.38312%0.116SC..Hα-helixtrans-55-35.3179.823.2-34.3000113A126 V130 T131 N132 Q165A126-P128 WeakPolarHBondContact O-CD 3.23Å; P128-V130 VanDerWaalsContact C-N 3.35Å; P128-V130 PolarHBondContact O-N 3.09Å; P128-T131 VanDerWaalsContact CA-OG1 3.29Å; P128-T131 WeakPolarHBondContact CA-OG1 3.43Å; P128-T131 PolarHBondContact O-N 3.18Å; P128-T131 PolarHBondContact O-OG1 2.64Å; P128-T131 VanDerWaalsContact O-OG1 3.11Å; P128-N132 VanDerWaalsContact O-CB 3.27Å; P128-N132 WeakPolarHBondContact O-CB 3.47Å; P128-N132 PolarHBondContact O-N 2.98Å; P128-N132 PolarHBondContact O-ND2 3.39Å; P128-N132 PolarHBondContact O-OD1 2.71Å; P128-Q165 HydrophobicContact CG-CG 4.14Å
129G98.1Very high98.2Very high0 Ų017.7 Ų17.70%010%0.102CC..Hα-helixtrans-61.4-43.1179.800000112.3E102 T125 A126 G127 T133E102-G129 WeakPolarHBondContact CG-O 3.49Å; E102-G129 WeakPolarHBondContact OE1-CA 3.24Å; T125-G129 CarbonylContact O-C 3.47Å; T125-G129 VanDerWaalsContact O-CA 3.32Å; T125-G129 WeakPolarHBondContact O-CA 3.07Å; A126-G129 PolarHBondContact O-N 3.26Å; G127-G129 PolarHBondContact O-N 2.84Å; G129-T133 WeakPolarHBondContact O-CG2 3.43Å
130V98.4Very high98.2Very high0 Ų017.4 Ų17.40%010%0.101CC..Hα-helixtrans-70.5-46.7174.8174.30000111.4V124 T125 G127 P128 N132 T133 Q169 M173 F209V124-V130 HydrophobicContact CG2-CG2 3.89Å; T125-V130 PolarHBondContact O-N 3.14Å; G127-V130 PolarHBondContact O-N 2.96Å; G127-V130 VanDerWaalsContact O-N 3.15Å; P128-V130 VanDerWaalsContact C-N 3.35Å; P128-V130 PolarHBondContact O-N 3.09Å; V130-N132 VanDerWaalsContact C-N 3.26Å; V130-N132 PolarHBondContact O-N 3.5Å; V130-T133 PolarHBondContact O-N 2.97Å; V130-T133 PolarHBondContact O-OG1 3.31Å; V130-Q169 HydrophobicContact CG1-CB 4.29Å; V130-M173 HydrophobicContact CG1-CG 3.77Å; V130-M173 HydrophobicContact CG1-SD 3.76Å; V130-F209 HydrophobicContact CG1-CE2 3.94Å; V130-F209 HydrophobicContact CG1-CZ 3.9Å; V130-F209 HydrophobicContact CG2-CE2 3.86Å; V130-F209 HydrophobicContact CG2-CZ 3.86Å
131T98.4Very high98.1Very high46 Ų4619.7 Ų19.728%0.28211%0.111SC..Hα-helixtrans-63.9-31.9-176.954.70000113G127 P128 T133 L134 I167 I172G127-T131 PolarHBondContact O-N 3.33Å; G127-T131 PolarHBondContact O-OG1 3.02Å; P128-T131 VanDerWaalsContact CA-OG1 3.29Å; P128-T131 WeakPolarHBondContact CA-OG1 3.43Å; P128-T131 PolarHBondContact O-N 3.18Å; P128-T131 PolarHBondContact O-OG1 2.64Å; P128-T131 VanDerWaalsContact O-OG1 3.11Å; T131-T133 PolarHBondContact O-N 3Å; T131-L134 WeakPolarHBondContact O-CB 3.37Å; T131-L134 WeakPolarHBondContact O-CD1 3.3Å; T131-L134 VanDerWaalsContact O-CG 3.32Å; T131-L134 WeakPolarHBondContact O-CG 3.48Å; T131-L134 PolarHBondContact O-N 3.17Å; T131-I167 HydrophobicContact CG2-CD1 3.57Å; T131-I172 HydrophobicContact CG2-CD1 4.11Å
132N98.5Very high97.9Very high78 Ų7823.2 Ų23.242%0.41713%0.129SC..THydrogen-bonded Turntrans-68.2-16.5176.5-74.1-5.4000113.2E102 P128 V130E102-N132 HydrophobicContact CB-CB 3.79Å; E102-N132 HydrophobicContact CG-CB 4.29Å; E102-N132 WeakPolarHBondContact OE2-CB 3.44Å; E102-N132 PolarHBondContact OE2-ND2 3.49Å; P128-N132 VanDerWaalsContact O-CB 3.27Å; P128-N132 WeakPolarHBondContact O-CB 3.47Å; P128-N132 PolarHBondContact O-N 2.98Å; P128-N132 PolarHBondContact O-ND2 3.39Å; P128-N132 PolarHBondContact O-OD1 2.71Å; V130-N132 VanDerWaalsContact C-N 3.26Å; V130-N132 PolarHBondContact O-N 3.5Å
133T98.6Very high97.7Very high0 Ų024 Ų240%014%0.135CC..THydrogen-bonded Turntrans-82.5-15175.768.40000113.8E102 A106 V124 G129 V130 T131 T135 A136 V137E102-T133 HydrophobicContact CB-CG2 3.89Å; A106-T133 HydrophobicContact CB-CG2 4.27Å; V124-T133 HydrophobicContact CB-CG2 4.43Å; V124-T133 HydrophobicContact CG1-CG2 3.83Å; V124-T133 HydrophobicContact CG2-CG2 3.98Å; G129-T133 WeakPolarHBondContact O-CG2 3.43Å; V130-T133 PolarHBondContact O-N 2.97Å; V130-T133 PolarHBondContact O-OG1 3.31Å; T131-T133 PolarHBondContact O-N 3Å; T133-T135 PolarHBondContact O-N 3.06Å; T133-A136 WeakPolarHBondContact O-CB 3.48Å; T133-A136 PolarHBondContact O-N 2.92Å; T133-V137 WeakPolarHBondContact O-CG2 3.19Å; T133-V137 PolarHBondContact O-N 3.13Å
134L98.1Very high97.5Very high50 Ų5024.8 Ų24.826%0.26214%0.139SC..Hα-helixtrans-53.1-48.4-164.2-80.7173.2000114.2T131 A136 V137 Q138 I172 M173 V176T131-L134 WeakPolarHBondContact O-CB 3.37Å; T131-L134 WeakPolarHBondContact O-CD1 3.3Å; T131-L134 VanDerWaalsContact O-CG 3.32Å; T131-L134 WeakPolarHBondContact O-CG 3.48Å; T131-L134 PolarHBondContact O-N 3.17Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.36Å; L134-V137 PolarHBondContact O-N 3.21Å; L134-Q138 PolarHBondContact O-N 2.75Å; L134-I172 HydrophobicContact CD1-CG2 3.69Å; L134-I172 HydrophobicContact CD2-CG2 3.7Å; L134-I172 HydrophobicContact CG-CG2 4.11Å; L134-M173 HydrophobicContact CD2-SD 3.69Å; L134-V176 HydrophobicContact CD2-CG2 3.98Å
135T98.1Very high97.4Very high79 Ų7925 Ų2549%0.48514%0.14SC..Hα-helixtrans-62.3-42.5-179.8-54.70000111.5T133 Q138 N139 F502 T504T133-T135 PolarHBondContact O-N 3.06Å; T135-Q138 PolarHBondContact O-N 2.98Å; T135-N139 WeakPolarHBondContact O-CB 3.41Å; T135-N139 PolarHBondContact O-N 3.38Å; T135-F502 HydrophobicContact CG2-CE1 4.31Å; T135-T504 HydrophobicContact CG2-CG2 3.57Å
136A98.5Very high97.4Very high1 Ų125.2 Ų25.21%0.00814%0.143CC..Hα-helixtrans-68.9-36.1178.300000112.5A106 F107 T133 L134 N139 A140A106-A136 HydrophobicContact CB-CB 3.47Å; A106-A136 VanDerWaalsContact CB-CB 3.47Å; F107-A136 HydrophobicContact CD1-CB 3.57Å; F107-A136 HydrophobicContact CD2-CB 4.13Å; F107-A136 HydrophobicContact CE1-CB 3.44Å; F107-A136 VanDerWaalsContact CE1-CB 3.44Å; F107-A136 HydrophobicContact CE2-CB 4.03Å; F107-A136 HydrophobicContact CG-CB 3.9Å; F107-A136 HydrophobicContact CZ-CB 3.68Å; T133-A136 WeakPolarHBondContact O-CB 3.48Å; T133-A136 PolarHBondContact O-N 2.92Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.36Å; A136-N139 WeakPolarHBondContact O-CB 3.43Å; A136-N139 PolarHBondContact O-N 3.28Å; A136-A140 PolarHBondContact O-N 3.14Å
137V98.6Very high97.4Very high1 Ų125.3 Ų25.31%0.00614%0.143CC..Hα-helixtrans-67-41.9174.7175.40000110.8T133 L134 N139 A140 Q141 I149 M173 V176 P207T133-V137 WeakPolarHBondContact O-CG2 3.19Å; T133-V137 PolarHBondContact O-N 3.13Å; L134-V137 PolarHBondContact O-N 3.21Å; V137-N139 VanDerWaalsContact C-N 3.31Å; V137-N139 PolarHBondContact O-N 3.19Å; V137-A140 PolarHBondContact O-N 3.01Å; V137-Q141 WeakPolarHBondContact O-CB 3.39Å; V137-Q141 PolarHBondContact O-N 3.19Å; V137-I149 HydrophobicContact CG2-CD1 3.81Å; V137-I149 HydrophobicContact CG2-CG1 3.66Å; V137-M173 HydrophobicContact CG1-CE 4.13Å; V137-M173 HydrophobicContact CG2-CE 4.14Å; V137-V176 HydrophobicContact CB-CG2 4.3Å; V137-V176 HydrophobicContact CG1-CB 4.04Å; V137-V176 HydrophobicContact CG1-CG2 3.6Å; V137-P207 HydrophobicContact CG1-CB 3.81Å; V137-P207 HydrophobicContact CG1-CG 3.81Å
138Q98.2Very high97.5Very high38 Ų3825.2 Ų25.218%0.17814%0.142CC..Hα-helixtrans-62.2-39.5173.1-175.75825.700111.9L134 T135 Q141 M142 V176 F502L134-Q138 PolarHBondContact O-N 2.75Å; T135-Q138 PolarHBondContact O-N 2.98Å; Q138-Q141 WeakPolarHBondContact O-CB 3.41Å; Q138-Q141 PolarHBondContact O-N 3.26Å; Q138-Q141 VanDerWaalsContact OE1-OE1 3.1Å; Q138-M142 WeakPolarHBondContact O-CG 3.41Å; Q138-M142 PolarHBondContact O-N 3.23Å; Q138-V176 HydrophobicContact CB-CG1 4.33Å; Q138-V176 VanDerWaalsContact OE1-CG1 3.26Å; Q138-F502 HydrophobicContact CB-CD1 4.33Å; Q138-F502 HydrophobicContact CB-CE1 3.87Å; Q138-F502 HydrophobicContact CB-CZ 4.26Å; Q138-F502 HydrophobicContact CG-CD1 3.93Å; Q138-F502 HydrophobicContact CG-CD2 4.29Å; Q138-F502 HydrophobicContact CG-CE1 3.54Å; Q138-F502 HydrophobicContact CG-CE2 3.91Å; Q138-F502 HydrophobicContact CG-CG 4.34Å; Q138-F502 HydrophobicContact CG-CZ 3.54Å
139N97.9Very high97.6Very high0 Ų022.4 Ų22.40%012%0.124CC..Hα-helixtrans-59.5-49.4174.2-170.882.4000111.7F107 D110 R114 T135 A136 V137 Q141 M142 A143 P499 F502 T504F107-N139 HydrophobicContact CE1-CB 3.98Å; D110-N139 PolarHBondContact OD2-ND2 3.22Å; R114-N139 PolarHBondContact NH2-ND2 2.7Å; T135-N139 WeakPolarHBondContact O-CB 3.41Å; T135-N139 PolarHBondContact O-N 3.38Å; A136-N139 WeakPolarHBondContact O-CB 3.43Å; A136-N139 PolarHBondContact O-N 3.28Å; V137-N139 VanDerWaalsContact C-N 3.31Å; V137-N139 PolarHBondContact O-N 3.19Å; N139-Q141 VanDerWaalsContact C-N 3.31Å; N139-Q141 PolarHBondContact O-N 3.41Å; N139-M142 PolarHBondContact O-N 2.83Å; N139-A143 WeakPolarHBondContact O-CB 3.34Å; N139-A143 PolarHBondContact O-N 2.86Å; N139-P499 PolarHBondContact OD1-O 3.42Å; N139-F502 HydrophobicContact CB-CD1 4.34Å; N139-T504 WeakPolarHBondContact OD1-CB 3.3Å; N139-T504 PolarHBondContact OD1-OG1 3.34Å
140A97.8Very high97.6Very high1 Ų122.4 Ų22.41%0.00812%0.124CC..Hα-helixtrans-61.2-38175.800000112.2D110 A136 V137 A143 Q144 S145 V147D110-A140 HydrophobicContact CB-CB 4.17Å; A136-A140 PolarHBondContact O-N 3.14Å; V137-A140 PolarHBondContact O-N 3.01Å; A140-A143 PolarHBondContact O-N 3.29Å; A140-Q144 PolarHBondContact O-N 3.39Å; A140-S145 PolarHBondContact O-N 2.96Å; A140-V147 HydrophobicContact CB-CG2 3.91Å
141Q96.9Very high97.6Very high50 Ų5022.4 Ų22.423%0.23412%0.124CC..Hα-helixtrans-60.9-47.2174.7-168.3-162.363.700111.6V137 Q138 N139 A143 Q144 P175 V176 P207V137-Q141 WeakPolarHBondContact O-CB 3.39Å; V137-Q141 PolarHBondContact O-N 3.19Å; Q138-Q141 WeakPolarHBondContact O-CB 3.41Å; Q138-Q141 PolarHBondContact O-N 3.26Å; Q138-Q141 VanDerWaalsContact OE1-OE1 3.1Å; N139-Q141 VanDerWaalsContact C-N 3.31Å; N139-Q141 PolarHBondContact O-N 3.41Å; Q141-A143 VanDerWaalsContact C-N 3.34Å; Q141-Q144 PolarHBondContact O-N 2.77Å; Q141-P175 PolarHBondContact NE2-O 3Å; Q141-V176 WeakPolarHBondContact CB-O 3.43Å; Q141-V176 WeakPolarHBondContact CG-O 3.34Å; Q141-V176 PolarHBondContact NE2-O 2.99Å; Q141-P207 VanDerWaalsContact CA-CD 3.45Å; Q141-P207 HydrophobicContact CB-CG 3.84Å; Q141-P207 HydrophobicContact CG-CG 4.44Å
142M94.2Very high97.6Very high74 Ų7420.2 Ų20.237%0.36511%0.111SC..Hα-helixtrans-70.2-30.9179.9-68.1-70.988.800113Q138 N139 Q144 F502Q138-M142 WeakPolarHBondContact O-CG 3.41Å; Q138-M142 PolarHBondContact O-N 3.23Å; N139-M142 PolarHBondContact O-N 2.83Å; M142-Q144 VanDerWaalsContact C-N 3.31Å; M142-F502 HydrophobicContact CB-CB 4.02Å; M142-F502 HydrophobicContact CG-CB 3.99Å; M142-F502 HydrophobicContact CG-CD2 4.44Å; M142-F502 HydrophobicContact CG-CG 4.28Å
143A93.5Very high97.5Very high16 Ų1616.7 Ų16.713%0.1329%0.093CC..Hα-helixtrans-81-10.7173.200000114.1N139 A140 Q141 S145N139-A143 WeakPolarHBondContact O-CB 3.34Å; N139-A143 PolarHBondContact O-N 2.86Å; A140-A143 PolarHBondContact O-N 3.29Å; Q141-A143 VanDerWaalsContact C-N 3.34Å; A143-S145 VanDerWaalsContact C-N 3.34Å
144Q94.9Very high97.4Very high17 Ų1717.2 Ų17.28%0.07910%0.096CC..THydrogen-bonded Turntrans61.542.5-177.3-55.2173.9-26.400112.2A140 Q141 M142 V204 P205 Q297A140-Q144 PolarHBondContact O-N 3.39Å; Q141-Q144 PolarHBondContact O-N 2.77Å; M142-Q144 VanDerWaalsContact C-N 3.31Å; Q144-V204 HydrophobicContact CB-CG1 4.04Å; Q144-V204 VanDerWaalsContact CD-CG1 3.42Å; Q144-V204 HydrophobicContact CG-CG1 3.63Å; Q144-V204 VanDerWaalsContact NE2-CG1 3.33Å; Q144-P205 CarbonylContact C-O 3.56Å; Q144-P205 WeakPolarHBondContact CA-O 3.26Å; Q144-P205 WeakPolarHBondContact CB-O 3.4Å; Q144-P205 WeakPolarHBondContact O-CB 3.26Å; Q144-Q297 VanDerWaalsContact OE1-CD 3.29Å
145S96.6Very high97.1Very high5 Ų515.4 Ų15.44%0.0359%0.087CC..  trans-89.5135.2178.2-57.90000111D110 R114 A140 A143 V147 G206D110-S145 WeakPolarHBondContact OD1-CB 3.27Å; D110-S145 PolarHBondContact OD1-OG 3.47Å; R114-S145 PolarHBondContact NE-OG 2.88Å; A140-S145 PolarHBondContact O-N 2.96Å; A143-S145 VanDerWaalsContact C-N 3.34Å; S145-V147 PolarHBondContact O-N 2.95Å; S145-V147 VanDerWaalsContact O-N 3.11Å; S145-G206 CarbonylContact O-C 3.35Å; S145-G206 WeakPolarHBondContact O-CA 3.12Å; S145-G206 PolarHBondContact O-N 3.03Å
146A98Very high96.8Very high12 Ų1214.4 Ų14.410%0.0998%0.082CC..  trans-77.19417500000110.5S113 I119 G120 A200 R201 P205S113-A146 PolarHBondContact OG-O 3Å; I119-A146 VanDerWaalsContact CG1-O 3.25Å; I119-A146 WeakPolarHBondContact CG1-O 3.46Å; G120-A146 PolarHBondContact N-O 2.74Å; G120-A146 VanDerWaalsContact N-O 3.16Å; A146-A200 HydrophobicContact CB-CB 4.37Å; A146-A200 WeakPolarHBondContact CB-O 3.35Å; A146-R201 HydrophobicContact CB-CG 3.79Å; A146-P205 HydrophobicContact CB-CB 4.09Å
147V98.8Very high96.4Very high2 Ų215.2 Ų15.21%0.0129%0.086CC..EExtended strand (participates in β ladder)trans-118132.4-179.8-178.60000110.5A109 D110 G120 A140 S145 I149 P207 V208A109-V147 HydrophobicContact CB-CG1 3.96Å; D110-V147 HydrophobicContact CB-CG2 4.26Å; G120-V147 CarbonylContact O-C 3.51Å; G120-V147 WeakPolarHBondContact O-CA 2.94Å; A140-V147 HydrophobicContact CB-CG2 3.91Å; S145-V147 PolarHBondContact O-N 2.95Å; S145-V147 VanDerWaalsContact O-N 3.11Å; V147-I149 HydrophobicContact CG1-CD1 3.55Å; V147-I149 HydrophobicContact CG1-CG1 4.26Å; V147-P207 HydrophobicContact CB-CB 4.31Å; V147-P207 CarbonylContact O-C 3.58Å; V147-P207 WeakPolarHBondContact O-CA 3.48Å; V147-V208 PolarHBondContact O-N 3Å
148L98.9Very high96.1Very high0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-100.5117168.8170.563.8000109.1L66 I119 G120 V121 A122 I150 L193 A196 I197 V208 V210L66-L148 HydrophobicContact CD2-CD2 3.88Å; I119-L148 HydrophobicContact CD1-CB 3.6Å; I119-L148 HydrophobicContact CG1-CB 4.33Å; G120-L148 PolarHBondContact O-N 2.95Å; V121-L148 WeakPolarHBondContact CA-O 3.33Å; V121-L148 HydrophobicContact CG1-CD2 4.45Å; V121-L148 HydrophobicContact CG2-CB 4.37Å; V121-L148 HydrophobicContact CG2-CD2 4.48Å; A122-L148 PolarHBondContact N-O 3.28Å; L148-I150 HydrophobicContact CD1-CG1 4.19Å; L148-I150 HydrophobicContact CD2-CD1 4.03Å; L148-I150 HydrophobicContact CD2-CG1 4.05Å; L148-I150 HydrophobicContact CG-CD1 4.38Å; L148-I150 HydrophobicContact CG-CG1 3.85Å; L148-L193 HydrophobicContact CD2-CD2 4.21Å; L148-A196 HydrophobicContact CD1-CB 4.49Å; L148-I197 HydrophobicContact CD2-CD1 4.34Å; L148-I197 HydrophobicContact CD2-CG1 4.09Å; L148-V208 HydrophobicContact CB-CG2 4.34Å; L148-V208 HydrophobicContact CD1-CG2 3.75Å; L148-V210 HydrophobicContact CD1-CB 4.3Å; L148-V210 HydrophobicContact CD1-CG2 3.7Å
149I98.8Very high95.8Very high0 Ų021.2 Ų21.20%012%0.115CC..EExtended strand (participates in β ladder)trans-98.9116.8169.9-49.8-62000107.8A106 A122 V124 V137 V147 M173 V208 F209 V210A106-I149 HydrophobicContact CB-CD1 4.32Å; A122-I149 HydrophobicContact CB-CD1 3.8Å; A122-I149 WeakPolarHBondContact O-CA 3.39Å; V124-I149 HydrophobicContact CG2-CG2 4.41Å; V137-I149 HydrophobicContact CG2-CD1 3.81Å; V137-I149 HydrophobicContact CG2-CG1 3.66Å; V147-I149 HydrophobicContact CG1-CD1 3.55Å; V147-I149 HydrophobicContact CG1-CG1 4.26Å; I149-M173 HydrophobicContact CB-CE 4.45Å; I149-M173 HydrophobicContact CG2-CE 4.28Å; I149-V208 PolarHBondContact N-O 3.41Å; I149-F209 HydrophobicContact CB-CD2 3.97Å; I149-F209 HydrophobicContact CG2-CD2 3.78Å; I149-F209 HydrophobicContact CG2-CE2 4.16Å; I149-F209 WeakPolarHBondContact O-CA 3.35Å; I149-F209 WeakPolarHBondContact O-CD2 3.44Å; I149-V210 PolarHBondContact O-N 2.89Å
150I98.8Very high95.5Very high0 Ų024.6 Ų24.60%015%0.15CC..EExtended strand (participates in β ladder)trans-100116.5172.4-55.8179000107.6V62 L66 I85 V121 A122 C123 V124 L148 L193 V210 I212V62-I150 HydrophobicContact CG1-CD1 3.96Å; L66-I150 HydrophobicContact CD1-CD1 4.38Å; I85-I150 HydrophobicContact CD1-CG2 3.85Å; V121-I150 HydrophobicContact CG1-CD1 4.27Å; A122-I150 PolarHBondContact O-N 3.11Å; C123-I150 WeakPolarHBondContact CA-O 3.33Å; C123-I150 HydrophobicContact CB-CB 4.49Å; V124-I150 PolarHBondContact N-O 3.3Å; L148-I150 HydrophobicContact CD1-CG1 4.19Å; L148-I150 HydrophobicContact CD2-CD1 4.03Å; L148-I150 HydrophobicContact CD2-CG1 4.05Å; L148-I150 HydrophobicContact CG-CD1 4.38Å; L148-I150 HydrophobicContact CG-CG1 3.85Å; I150-L193 HydrophobicContact CD1-CD2 4.4Å; I150-V210 WeakPolarHBondContact CA-O 3.13Å; I150-I212 HydrophobicContact CG2-CD1 3.77Å; I150-I212 HydrophobicContact CG2-CG1 4Å
151G98.4Very high95.2Very high0 Ų032.9 Ų32.90%018%0.181CC..EExtended strand (participates in β ladder)trans-104.9126.5175.500000110.8V124 V210 E211 I212V124-G151 WeakPolarHBondContact O-CA 3.25Å; G151-V210 PolarHBondContact N-O 3.3Å; G151-E211 WeakPolarHBondContact O-CA 3.37Å; G151-I212 PolarHBondContact O-N 3.21Å
152G97.7Very high95Very high1 Ų134 Ų341%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-60.5155.4162.700000110.9V124 A126 Q169V124-G152 PolarHBondContact O-N 3.01Å; A126-G152 WeakPolarHBondContact CA-O 3.37Å; A126-G152 VanDerWaalsContact CB-O 3.25Å; A126-G152 WeakPolarHBondContact CB-O 3.49Å; G152-Q169 PolarHBondContact O-NE2 2.99Å; G152-Q169 PolarHBondContact O-OE1 3.42Å
153A97.3Very high94.8Very high4 Ų431.7 Ų31.73%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-144.4160171.600000111.5H81 E211 I212 P213 V214H81-A153 PolarHBondContact CD2-O 3.26Å; A153-E211 HydrophobicContact CB-CG 3.44Å; A153-E211 VanDerWaalsContact CB-CG 3.44Å; A153-I212 PolarHBondContact N-O 3.28Å; A153-I212 VanDerWaalsContact N-O 3.1Å; A153-P213 WeakPolarHBondContact O-CA 3.49Å; A153-V214 PolarHBondContact O-N 3.3Å
154T94.7Very high94.8Very high11 Ų1137.6 Ų37.67%0.06723%0.226CC..  trans-60.8160.2167.4-166.70000110.8L158 K159 S163 D166T154-L158 WeakPolarHBondContact OG1-CB 3.43Å; T154-K159 HydrophobicContact CG2-CB 4.15Å; T154-S163 WeakPolarHBondContact CB-OG 3.18Å; T154-S163 WeakPolarHBondContact CG2-OG 3.41Å; T154-S163 PolarHBondContact OG1-OG 2.86Å; T154-D166 HydrophobicContact CG2-CB 3.79Å; T154-D166 VanDerWaalsContact CG2-OD1 3.3Å; T154-D166 WeakPolarHBondContact CG2-OD1 3.34Å
155S92.9Very high94.8Very high11 Ų1139.8 Ų39.88%0.07724%0.236CC..  trans-59.1139.8172171.30000110.5L157 L158 K159 D215 Y248S155-L157 PolarHBondContact O-N 2.72Å; S155-L157 PolarHBondContact OG-N 3.16Å; S155-L158 WeakPolarHBondContact O-CA 3.49Å; S155-L158 PolarHBondContact O-N 3.39Å; S155-K159 PolarHBondContact O-N 3.19Å; S155-D215 VanDerWaalsContact CB-OD2 3.3Å; S155-D215 WeakPolarHBondContact CB-OD2 3.5Å; S155-D215 PolarHBondContact OG-OD2 2.66Å; S155-Y248 PolarHBondContact OG-OH 2.99Å
156P92Very high94.8Very high58 Ų5841.2 Ų41.238%0.37724%0.244SC..THydrogen-bonded Turntrans-49.1-27.3169.9-30.330.7000114.7L158 P213 Y248P156-L158 VanDerWaalsContact C-N 3.28Å; P156-L158 PolarHBondContact O-N 3.28Å; P156-P213 HydrophobicContact CG-CB 4.4Å; P156-P213 HydrophobicContact CG-CG 4.18Å; P156-Y248 HydrophobicContact CB-CE2 4.11Å; P156-Y248 WeakPolarHBondContact CB-OH 3.18Å; P156-Y248 WeakPolarHBondContact CD-OH 3.33Å; P156-Y248 VanDerWaalsContact CG-OH 3.28Å; P156-Y248 WeakPolarHBondContact CG-OH 3.37Å
157L90.7Very high94.7Very high18 Ų1843.6 Ų43.69%0.09425%0.254CS..THydrogen-bonded Turntrans-69.8-24.1175.8-67.8178000113.8S155 R161 M227 F244 M245 Y248S155-L157 PolarHBondContact O-N 2.72Å; S155-L157 PolarHBondContact OG-N 3.16Å; L157-R161 VanDerWaalsContact O-CD 3.29Å; L157-R161 WeakPolarHBondContact O-CD 3.32Å; L157-R161 PolarHBondContact O-NE 2.95Å; L157-R161 VanDerWaalsContact O-NE 3.14Å; L157-R161 PolarHBondContact O-NH1 3.44Å; L157-R161 VanDerWaalsContact O-NH1 3.08Å; L157-M227 HydrophobicContact CD1-CE 3.51Å; L157-M227 HydrophobicContact CD1-CG 4.3Å; L157-M227 HydrophobicContact CD1-SD 4.13Å; L157-F244 HydrophobicContact CD2-CE1 3.68Å; L157-F244 HydrophobicContact CD2-CZ 4.15Å; L157-M245 HydrophobicContact CD1-CE 4.42Å; L157-M245 HydrophobicContact CD1-SD 3.55Å; L157-M245 VanDerWaalsContact CD1-SD 3.55Å; L157-M245 HydrophobicContact CD2-CE 4.17Å; L157-M245 HydrophobicContact CD2-SD 3.98Å; L157-M245 HydrophobicContact CG-SD 4.4Å; L157-Y248 HydrophobicContact CD1-CD1 3.49Å; L157-Y248 VanDerWaalsContact CD1-CD1 3.49Å; L157-Y248 HydrophobicContact CD1-CE1 3.56Å; L157-Y248 HydrophobicContact CD1-CG 4.02Å; L157-Y248 HydrophobicContact CD2-CD1 4.2Å; L157-Y248 HydrophobicContact CD2-CD2 3.77Å; L157-Y248 HydrophobicContact CD2-CE1 4.42Å; L157-Y248 HydrophobicContact CD2-CE2 4.02Å; L157-Y248 HydrophobicContact CD2-CG 3.86Å; L157-Y248 HydrophobicContact CG-CD1 3.86Å; L157-Y248 HydrophobicContact CG-CD2 4.06Å; L157-Y248 HydrophobicContact CG-CE1 3.69Å; L157-Y248 HydrophobicContact CG-CE2 3.91Å; L157-Y248 HydrophobicContact CG-CG 4.03Å
158L91.5Very high94.5Very high82 Ų8248.1 Ų48.143%0.42928%0.278SS..THydrogen-bonded Turntrans-106.4-13.5-177.7-63.6-177.8000113T154 S155 P156 G160 R161 S163T154-L158 WeakPolarHBondContact OG1-CB 3.43Å; S155-L158 WeakPolarHBondContact O-CA 3.49Å; S155-L158 PolarHBondContact O-N 3.39Å; P156-L158 VanDerWaalsContact C-N 3.28Å; P156-L158 PolarHBondContact O-N 3.28Å; L158-G160 PolarHBondContact O-N 2.96Å; L158-R161 VanDerWaalsContact O-CB 3.24Å; L158-R161 WeakPolarHBondContact O-CB 3.35Å; L158-R161 PolarHBondContact O-N 3.13Å; L158-S163 PolarHBondContact O-OG 2.87Å
159K91.2Very high94.5Very high83 Ų8348.3 Ų48.336%0.36128%0.279SS..THydrogen-bonded Turntrans-55.2129.7176.2-165.1161.7-167.2163.60111.3T154 S155 R161 D166 E211T154-K159 HydrophobicContact CG2-CB 4.15Å; S155-K159 PolarHBondContact O-N 3.19Å; K159-R161 VanDerWaalsContact C-N 3.26Å; K159-R161 PolarHBondContact O-N 3.14Å; K159-D166 WeakPolarHBondContact CA-OD2 3.43Å; K159-E211 IonicContact NZ-OE1 2.84Å; K159-E211 PolarHBondContact NZ-OE1 2.73Å; K159-E211 VanDerWaalsContact NZ-OE1 3.11Å; K159-E211 IonicContact NZ-OE2 3.59Å
160G91.8Very high94.4Very high72 Ų7250.5 Ų50.574%0.74229%0.29SS*.THydrogen-bonded Turntrans74.47.3-175.800000115L158 D166L158-G160 PolarHBondContact O-N 2.96Å; G160-D166 PolarHBondContact N-OD2 3.44Å
161R92.8Very high94.3Very high174 Ų17452.1 Ų52.166%0.65731%0.307SS*.THydrogen-bonded Turntrans-106.511.8-177.8-54.7-172.9174.5179.9-2.7113.9L157 L158 K159L157-R161 VanDerWaalsContact O-CD 3.29Å; L157-R161 WeakPolarHBondContact O-CD 3.32Å; L157-R161 PolarHBondContact O-NE 2.95Å; L157-R161 VanDerWaalsContact O-NE 3.14Å; L157-R161 PolarHBondContact O-NH1 3.44Å; L157-R161 VanDerWaalsContact O-NH1 3.08Å; L158-R161 VanDerWaalsContact O-CB 3.24Å; L158-R161 WeakPolarHBondContact O-CB 3.35Å; L158-R161 PolarHBondContact O-N 3.13Å; K159-R161 VanDerWaalsContact C-N 3.26Å; K159-R161 PolarHBondContact O-N 3.14Å
162G90.7Very high94.3Very high74 Ų7455 Ų5576%0.76332%0.322SS*.THydrogen-bonded Turntrans75.326.9-177.800000113.6
163S91.8Very high94.3Very high25 Ų2555 Ų5518%0.17532%0.321CS..  trans-65.4153.7171.954.90000111.7T154 L158 Q165 D166T154-S163 WeakPolarHBondContact CB-OG 3.18Å; T154-S163 WeakPolarHBondContact CG2-OG 3.41Å; T154-S163 PolarHBondContact OG1-OG 2.86Å; L158-S163 PolarHBondContact O-OG 2.87Å; S163-Q165 PolarHBondContact O-N 3.03Å; S163-D166 WeakPolarHBondContact O-CB 3.44Å; S163-D166 PolarHBondContact O-N 3.14Å; S163-D166 VanDerWaalsContact O-N 3.11Å; S163-D166 VanDerWaalsContact OG-CB 3.27Å; S163-D166 WeakPolarHBondContact OG-CB 3.49Å
164L92.3Very high94.3Very high141 Ų14162.2 Ų62.274%0.73835%0.352SS*.THydrogen-bonded Turntrans-51.3127179.3-177.364.3000111.1D166L164-D166 PolarHBondContact O-N 3.26Å
165Q95.1Very high94.5Very high63 Ų6366.2 Ų66.229%0.29438%0.378SS..THydrogen-bonded Turntrans62.117.1178-62179.5-19.100115.9H81 T125 A126 G127 P128 S163H81-Q165 PolarHBondContact ND1-OE1 3.31Å; T125-Q165 PolarHBondContact OG1-OE1 3.17Å; A126-Q165 HydrophobicContact CB-CB 4.05Å; A126-Q165 PolarHBondContact O-OE1 3.05Å; G127-Q165 WeakPolarHBondContact CA-O 3.46Å; G127-Q165 PolarHBondContact N-O 2.65Å; P128-Q165 HydrophobicContact CG-CG 4.14Å; S163-Q165 PolarHBondContact O-N 3.03Å
166D96Very high94.7Very high35 Ų3566.5 Ų66.519%0.18738%0.38CS..  trans-80.4124.8175.4179.643.7000112.6T154 K159 G160 S163 L164T154-D166 HydrophobicContact CG2-CB 3.79Å; T154-D166 VanDerWaalsContact CG2-OD1 3.3Å; T154-D166 WeakPolarHBondContact CG2-OD1 3.34Å; K159-D166 WeakPolarHBondContact CA-OD2 3.43Å; G160-D166 PolarHBondContact N-OD2 3.44Å; S163-D166 WeakPolarHBondContact O-CB 3.44Å; S163-D166 PolarHBondContact O-N 3.14Å; S163-D166 VanDerWaalsContact O-N 3.11Å; S163-D166 VanDerWaalsContact OG-CB 3.27Å; S163-D166 WeakPolarHBondContact OG-CB 3.49Å; L164-D166 PolarHBondContact O-N 3.26Å
167I95.8Very high95Very high61 Ų6164.3 Ų64.331%0.31337%0.365SS..  trans-150.6170.217664.1177.1000109.5T131 Q169 I172T131-I167 HydrophobicContact CG2-CD1 3.57Å; I167-Q169 VanDerWaalsContact C-N 3.27Å; I167-Q169 HydrophobicContact CD1-CG 4.13Å; I167-Q169 HydrophobicContact CG1-CG 3.55Å; I167-Q169 PolarHBondContact O-N 3.02Å; I167-I172 HydrophobicContact CD1-CD1 3.79Å; I167-I172 HydrophobicContact CG1-CD1 4.42Å
168D96.4Very high95.4Very high98 Ų9867.3 Ų67.352%0.52438%0.378SS..  trans-7874.6169.9-176.116.7000112.1I170 G171 I172D168-I170 PolarHBondContact O-N 3.5Å; D168-I170 PolarHBondContact OD1-N 3.18Å; D168-G171 PolarHBondContact O-N 3.15Å; D168-G171 PolarHBondContact OD1-N 3.23Å; D168-G171 WeakPolarHBondContact OD2-CA 3.46Å; D168-I172 WeakPolarHBondContact O-CD1 3.41Å; D168-I172 VanDerWaalsContact O-CG1 3.31Å; D168-I172 WeakPolarHBondContact O-CG1 3.36Å; D168-I172 PolarHBondContact O-N 3.46Å
169Q96.9Very high95.7Very high3 Ų366.6 Ų66.61%0.01437%0.372CS..Hα-helixtrans-61.3-33177.8-54.4-176.811400111.7V130 G152 I167 I172 M173 F209 E211V130-Q169 HydrophobicContact CG1-CB 4.29Å; G152-Q169 PolarHBondContact O-NE2 2.99Å; G152-Q169 PolarHBondContact O-OE1 3.42Å; I167-Q169 VanDerWaalsContact C-N 3.27Å; I167-Q169 HydrophobicContact CD1-CG 4.13Å; I167-Q169 HydrophobicContact CG1-CG 3.55Å; I167-Q169 PolarHBondContact O-N 3.02Å; Q169-I172 PolarHBondContact O-N 3.18Å; Q169-M173 WeakPolarHBondContact O-CB 3.19Å; Q169-M173 WeakPolarHBondContact O-CG 3.31Å; Q169-M173 PolarHBondContact O-N 2.65Å; Q169-F209 HydrophobicContact CB-CE1 4.04Å; Q169-F209 HydrophobicContact CB-CZ 4.18Å; Q169-E211 PolarHBondContact NE2-OE2 3.11Å
170I96.9Very high96Very high46 Ų4664 Ų6424%0.23636%0.363CS..Hα-helixtrans-66.2-48.8-179.8-62.2-64.9000110.6D168 I172 M173 K174 V180 F209 E211D168-I170 PolarHBondContact O-N 3.5Å; D168-I170 PolarHBondContact OD1-N 3.18Å; I170-I172 VanDerWaalsContact C-N 3.29Å; I170-I172 PolarHBondContact O-N 3.4Å; I170-M173 PolarHBondContact O-N 3.3Å; I170-K174 WeakPolarHBondContact O-CB 3.35Å; I170-K174 PolarHBondContact O-N 2.73Å; I170-K174 VanDerWaalsContact O-N 3.1Å; I170-V180 HydrophobicContact CB-CG1 4.26Å; I170-V180 HydrophobicContact CD1-CG1 3.42Å; I170-V180 VanDerWaalsContact CD1-CG1 3.42Å; I170-V180 HydrophobicContact CG1-CG1 4.41Å; I170-V180 HydrophobicContact CG2-CG1 3.84Å; I170-F209 HydrophobicContact CD1-CD1 4.3Å; I170-F209 HydrophobicContact CD1-CE1 4.15Å; I170-E211 HydrophobicContact CD1-CB 3.91Å
171G97.6Very high96.4Very high34 Ų3462.3 Ų62.335%0.35134%0.338SS..Hα-helixtrans-59.8-40.5176.100000112.5D168D168-G171 PolarHBondContact O-N 3.15Å; D168-G171 PolarHBondContact OD1-N 3.23Å; D168-G171 WeakPolarHBondContact OD2-CA 3.46Å
172I97.6Very high96.6Very high62 Ų6256.5 Ų56.532%0.31832%0.324SS..Hα-helixtrans-66.4-42.7178.8-72.1167.1000112.3T131 L134 I167 D168 Q169 I170 P175T131-I172 HydrophobicContact CG2-CD1 4.11Å; L134-I172 HydrophobicContact CD1-CG2 3.69Å; L134-I172 HydrophobicContact CD2-CG2 3.7Å; L134-I172 HydrophobicContact CG-CG2 4.11Å; I167-I172 HydrophobicContact CD1-CD1 3.79Å; I167-I172 HydrophobicContact CG1-CD1 4.42Å; D168-I172 WeakPolarHBondContact O-CD1 3.41Å; D168-I172 VanDerWaalsContact O-CG1 3.31Å; D168-I172 WeakPolarHBondContact O-CG1 3.36Å; D168-I172 PolarHBondContact O-N 3.46Å; Q169-I172 PolarHBondContact O-N 3.18Å; I170-I172 VanDerWaalsContact C-N 3.29Å; I170-I172 PolarHBondContact O-N 3.4Å; I172-P175 VanDerWaalsContact O-CD 3.31Å; I172-P175 WeakPolarHBondContact O-CD 3.49Å
173M98.4Very high96.9Very high0 Ų053.2 Ų53.20%029%0.289CS..Hα-helixtrans-82.7-20.2-174.7-67.2-63.5-75.700113.7V130 L134 V137 I149 Q169 I170 P175 V176 C177 V180 F209V130-M173 HydrophobicContact CG1-CG 3.77Å; V130-M173 HydrophobicContact CG1-SD 3.76Å; L134-M173 HydrophobicContact CD2-SD 3.69Å; V137-M173 HydrophobicContact CG1-CE 4.13Å; V137-M173 HydrophobicContact CG2-CE 4.14Å; I149-M173 HydrophobicContact CB-CE 4.45Å; I149-M173 HydrophobicContact CG2-CE 4.28Å; Q169-M173 WeakPolarHBondContact O-CB 3.19Å; Q169-M173 WeakPolarHBondContact O-CG 3.31Å; Q169-M173 PolarHBondContact O-N 2.65Å; I170-M173 PolarHBondContact O-N 3.3Å; M173-P175 VanDerWaalsContact C-CD 3.47Å; M173-V176 WeakPolarHBondContact O-CG2 3.16Å; M173-V176 PolarHBondContact O-N 3.5Å; M173-V176 HydrophobicContact SD-CG2 4.27Å; M173-C177 WeakPolarHBondContact O-CB 3.47Å; M173-C177 PolarHBondContact O-N 2.84Å; M173-V180 HydrophobicContact CB-CG2 4.13Å; M173-F209 HydrophobicContact CB-CB 4.06Å; M173-F209 HydrophobicContact CB-CD1 3.71Å; M173-F209 HydrophobicContact CB-CE1 4.41Å; M173-F209 HydrophobicContact CB-CG 3.96Å; M173-F209 HydrophobicContact CE-CB 3.9Å; M173-F209 HydrophobicContact CE-CD2 3.75Å; M173-F209 HydrophobicContact CE-CE2 4.46Å; M173-F209 HydrophobicContact CE-CG 3.86Å; M173-F209 HydrophobicContact CG-CB 4.34Å; M173-F209 HydrophobicContact CG-CD1 3.65Å; M173-F209 HydrophobicContact CG-CD2 4.2Å; M173-F209 HydrophobicContact CG-CE1 3.96Å; M173-F209 HydrophobicContact CG-CE2 4.43Å; M173-F209 HydrophobicContact CG-CG 3.81Å; M173-F209 HydrophobicContact CG-CZ 4.35Å
174K98.2Very high97Very high156 Ų15655 Ų5568%0.67830%0.302SS*.THydrogen-bonded Turntrans-55.5-39.8-175.4-171.4176.6-178.4-179.40115.2I170I170-K174 WeakPolarHBondContact O-CB 3.35Å; I170-K174 PolarHBondContact O-N 2.73Å; I170-K174 VanDerWaalsContact O-N 3.1Å
175P97.6Very high97.1Very high95 Ų9550.5 Ų50.562%0.61728%0.275SS*.THydrogen-bonded Turntrans-73-28.6-180-18.233.4000113.7Q141 I172 M173Q141-P175 PolarHBondContact NE2-O 3Å; I172-P175 VanDerWaalsContact O-CD 3.31Å; I172-P175 WeakPolarHBondContact O-CD 3.49Å; M173-P175 VanDerWaalsContact C-CD 3.47Å
176V97.7Very high97.2Very high17 Ų1747.5 Ų47.510%0.10326%0.261CS..THydrogen-bonded Turntrans-98.4-14.8-172.2-55.40000112.8L134 V137 Q138 Q141 M173 P207L134-V176 HydrophobicContact CD2-CG2 3.98Å; V137-V176 HydrophobicContact CB-CG2 4.3Å; V137-V176 HydrophobicContact CG1-CB 4.04Å; V137-V176 HydrophobicContact CG1-CG2 3.6Å; Q138-V176 HydrophobicContact CB-CG1 4.33Å; Q138-V176 VanDerWaalsContact OE1-CG1 3.26Å; Q141-V176 WeakPolarHBondContact CB-O 3.43Å; Q141-V176 WeakPolarHBondContact CG-O 3.34Å; Q141-V176 PolarHBondContact NE2-O 2.99Å; M173-V176 WeakPolarHBondContact O-CG2 3.16Å; M173-V176 PolarHBondContact O-N 3.5Å; M173-V176 HydrophobicContact SD-CG2 4.27Å; V176-P207 VanDerWaalsContact O-CG 3.32Å; V176-P207 WeakPolarHBondContact O-CG 3.42Å
177C98.6Very high97.3Very high11 Ų1150.1 Ų50.17%0.07427%0.268CS..  trans-108.7147.4178.5-69.70000113.7M173 H179 V180 P207M173-C177 WeakPolarHBondContact O-CB 3.47Å; M173-C177 PolarHBondContact O-N 2.84Å; C177-H179 VanDerWaalsContact C-N 3.32Å; C177-V180 HydrophobicContact CB-CG2 3.63Å; C177-P207 CarbonylContact C-O 3.36Å; C177-P207 WeakPolarHBondContact CA-O 3.48Å
178K97.7Very high97.3Very high82 Ų8249.4 Ų49.436%0.35727%0.265SS..SBendtrans-68.6-32.5172.2-175.9177.1178.5-177.70112.4I199 S202 V204 P207 V208K178-I199 HydrophobicContact CD-CG2 3.82Å; K178-I199 WeakPolarHBondContact CD-O 3.34Å; K178-I199 WeakPolarHBondContact CE-O 3.49Å; K178-I199 HydrophobicContact CG-CG2 3.91Å; K178-I199 PolarHBondContact NZ-O 3.32Å; K178-S202 PolarHBondContact NZ-O 3.4Å; K178-V204 PolarHBondContact NZ-O 3.45Å; K178-P207 PolarHBondContact N-O 3.49Å; K178-V208 HydrophobicContact CB-CG1 4.46Å
179H98.5Very high97.4Very high67 Ų6744.7 Ų44.731%0.3124%0.24SC..EExtended strand (participates in β ladder)trans-148.2142.5176-172.861.3000110C177 I199 V208 F209C177-H179 VanDerWaalsContact C-N 3.32Å; H179-I199 HydrophobicContact CB-CD1 4.14Å; H179-I199 HydrophobicContact CB-CG2 3.86Å; H179-V208 HydrophobicContact CB-CB 4.46Å; H179-V208 HydrophobicContact CB-CG1 3.95Å; H179-V208 CarbonylContact O-C 3.22Å; H179-V208 WeakPolarHBondContact O-CA 3.42Å; H179-F209 PolarHBondContact O-N 3.45Å
180V98.6Very high97.5Very high29 Ų2944.6 Ų44.618%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-135.4131.5178.8177.80000108.2I170 M173 C177 F209I170-V180 HydrophobicContact CB-CG1 4.26Å; I170-V180 HydrophobicContact CD1-CG1 3.42Å; I170-V180 VanDerWaalsContact CD1-CG1 3.42Å; I170-V180 HydrophobicContact CG1-CG1 4.41Å; I170-V180 HydrophobicContact CG2-CG1 3.84Å; M173-V180 HydrophobicContact CB-CG2 4.13Å; C177-V180 HydrophobicContact CB-CG2 3.63Å; V180-F209 WeakPolarHBondContact CA-O 2.88Å; V180-F209 HydrophobicContact CG1-CB 4.41Å; V180-F209 HydrophobicContact CG1-CD1 3.8Å; V180-F209 HydrophobicContact CG2-CB 4.15Å
181V98.3Very high97.6Very high36 Ų3645.5 Ų45.522%0.21825%0.248CC..EExtended strand (participates in β ladder)trans-149.1148.1-178.762.10000110.7T192 F209 V210 E211V181-T192 HydrophobicContact CB-CG2 4.4Å; V181-T192 HydrophobicContact CG1-CG2 3.5Å; V181-T192 VanDerWaalsContact CG1-CG2 3.5Å; V181-T192 HydrophobicContact CG2-CG2 3.98Å; V181-F209 PolarHBondContact N-O 2.87Å; V181-F209 VanDerWaalsContact N-O 3.09Å; V181-V210 HydrophobicContact CG1-CB 4.44Å; V181-V210 HydrophobicContact CG1-CG1 4.29Å; V181-V210 HydrophobicContact CG1-CG2 3.93Å; V181-V210 WeakPolarHBondContact O-CA 3.21Å; V181-E211 PolarHBondContact O-N 3.04Å
182S97.6Very high97.6Very high52 Ų5245.3 Ų45.336%0.36424%0.24SC..EExtended strand (participates in β ladder)trans-116.4134.4172.7-174.30000109.6E211S182-E211 WeakPolarHBondContact CA-O 3.35Å; S182-E211 VanDerWaalsContact CB-OE1 3.32Å; S182-E211 WeakPolarHBondContact CB-OE1 3.5Å; S182-E211 PolarHBondContact OG-OE1 2.79Å
183I97.1Very high97.7Very high4 Ų442.3 Ų42.32%0.02123%0.225CC..  trans-87.3136.9-179.6-71.1162.8000110R185 I189 T192 V210 E211 I212 P213I183-R185 VanDerWaalsContact CG2-O 3.29Å; I183-R185 WeakPolarHBondContact CG2-O 3.22Å; I183-I189 HydrophobicContact CD1-CB 4.43Å; I183-I189 HydrophobicContact CD1-CG1 4.19Å; I183-I189 HydrophobicContact CG2-CG1 3.92Å; I183-T192 HydrophobicContact CD1-CG2 4.02Å; I183-T192 HydrophobicContact CG1-CG2 3.82Å; I183-V210 HydrophobicContact CD1-CG1 3.65Å; I183-V210 HydrophobicContact CG1-CG1 4.29Å; I183-E211 PolarHBondContact N-O 2.86Å; I183-I212 HydrophobicContact CD1-CD1 4.13Å; I183-I212 HydrophobicContact CD1-CG1 4.01Å; I183-P213 WeakPolarHBondContact O-CD 3.42Å; I183-P213 WeakPolarHBondContact O-CG 3.46Å
184S93.2Very high97.7Very high63 Ų6343.8 Ų43.844%0.44123%0.23SC..  trans-116.8-10-178.369.30000115.1
185R95.8Very high97.7Very high47 Ų4740.9 Ų40.918%0.17722%0.218CC..SBendtrans-144.5145.1179.9-54.6-179.4-176.1-177.3-0.6109.6I183 R187 D188 R251 L252I183-R185 VanDerWaalsContact CG2-O 3.29Å; I183-R185 WeakPolarHBondContact CG2-O 3.22Å; R185-R187 VanDerWaalsContact C-N 3.31Å; R185-R187 HydrophobicContact CB-CG 4.17Å; R185-R187 PolarHBondContact O-N 2.87Å; R185-D188 WeakPolarHBondContact CB-OD2 3.47Å; R185-D188 PolarHBondContact O-N 3.16Å; R185-R251 WeakPolarHBondContact CG-O 3.36Å; R185-R251 VanDerWaalsContact NH2-NE 3.16Å; R185-L252 WeakPolarHBondContact CA-O 3.41Å
186V97.6Very high97.7Very high0 Ų036.4 Ų36.40%019%0.189CC..G310 helixtrans-58.6-43.4-178.91790000111.4I61 D188 I189 A216 L252 F253 A256 W257I61-V186 HydrophobicContact CD1-CG1 3.71Å; V186-D188 PolarHBondContact O-N 3.45Å; V186-D188 VanDerWaalsContact O-N 3.08Å; V186-I189 HydrophobicContact CG1-CD1 4.17Å; V186-I189 WeakPolarHBondContact O-CB 3.06Å; V186-I189 WeakPolarHBondContact O-CD1 3.23Å; V186-I189 VanDerWaalsContact O-CG1 3.23Å; V186-I189 WeakPolarHBondContact O-CG1 3.45Å; V186-I189 PolarHBondContact O-N 2.89Å; V186-I189 VanDerWaalsContact O-N 3.11Å; V186-A216 HydrophobicContact CG2-CB 4.49Å; V186-L252 HydrophobicContact CG2-CD1 4.49Å; V186-L252 PolarHBondContact N-O 3.38Å; V186-F253 HydrophobicContact CG2-CD1 3.89Å; V186-F253 HydrophobicContact CG2-CE1 3.88Å; V186-F253 HydrophobicContact CG2-CG 4.49Å; V186-F253 HydrophobicContact CG2-CZ 4.45Å; V186-A256 HydrophobicContact CB-CB 3.8Å; V186-A256 HydrophobicContact CG1-CB 3.8Å; V186-W257 HydrophobicContact CG1-CH2 3.79Å; V186-W257 HydrophobicContact CG1-CZ3 3.86Å
187R96.3Very high97.8Very high90 Ų9035.7 Ų35.734%0.3418%0.184SC..G310 helixtrans-60.8-20.6178.369.9169.7-165.3-170.78.3114.6R185 P191 S254 D255R185-R187 VanDerWaalsContact C-N 3.31Å; R185-R187 HydrophobicContact CB-CG 4.17Å; R185-R187 PolarHBondContact O-N 2.87Å; R187-P191 WeakPolarHBondContact O-CD 3.2Å; R187-S254 VanDerWaalsContact CD-O 3.3Å; R187-S254 WeakPolarHBondContact CD-O 3.28Å; R187-D255 IonicContact NH1-OD2 3.59Å
188D97.5Very high97.8Very high45 Ų4535.9 Ų35.924%0.24118%0.184CC..G310 helixtrans-89.1-6.6-176.7-60.7-29000111.5R185 V186 P191 T192R185-D188 WeakPolarHBondContact CB-OD2 3.47Å; R185-D188 PolarHBondContact O-N 3.16Å; V186-D188 PolarHBondContact O-N 3.45Å; V186-D188 VanDerWaalsContact O-N 3.08Å; D188-P191 WeakPolarHBondContact O-CD 3.38Å; D188-P191 WeakPolarHBondContact O-CG 3.37Å; D188-T192 WeakPolarHBondContact O-CB 3.23Å; D188-T192 PolarHBondContact O-N 3.08Å; D188-T192 VanDerWaalsContact O-N 3.11Å; D188-T192 PolarHBondContact O-OG1 3.05Å
189I98.4Very high97.8Very high0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-57.4-57.6179-67.3169.8000111I61 V62 I183 V186 T192 L193I61-I189 HydrophobicContact CB-CB 4.48Å; I61-I189 HydrophobicContact CB-CG2 4.13Å; I61-I189 HydrophobicContact CG2-CB 3.99Å; I61-I189 HydrophobicContact CG2-CG2 3.77Å; V62-I189 HydrophobicContact CG2-CG2 3.65Å; I183-I189 HydrophobicContact CD1-CB 4.43Å; I183-I189 HydrophobicContact CD1-CG1 4.19Å; I183-I189 HydrophobicContact CG2-CG1 3.92Å; V186-I189 HydrophobicContact CG1-CD1 4.17Å; V186-I189 WeakPolarHBondContact O-CB 3.06Å; V186-I189 WeakPolarHBondContact O-CD1 3.23Å; V186-I189 VanDerWaalsContact O-CG1 3.23Å; V186-I189 WeakPolarHBondContact O-CG1 3.45Å; V186-I189 PolarHBondContact O-N 2.89Å; V186-I189 VanDerWaalsContact O-N 3.11Å; I189-T192 PolarHBondContact O-N 2.85Å; I189-L193 HydrophobicContact CG2-CD1 3.81Å; I189-L193 HydrophobicContact CG2-CG 4.45Å; I189-L193 WeakPolarHBondContact O-CB 3.12Å; I189-L193 WeakPolarHBondContact O-CG 3.39Å; I189-L193 PolarHBondContact O-N 3.12Å
190A98.4Very high97.8Very high1 Ų130.3 Ų30.31%0.00816%0.16CC..Hα-helixtrans-58.6-55-177.300000114.1I61 V65 T192 L193 R194 A260I61-A190 HydrophobicContact CG2-CB 3.8Å; V65-A190 HydrophobicContact CG2-CB 3.84Å; A190-T192 VanDerWaalsContact C-N 3.27Å; A190-T192 PolarHBondContact O-N 3.14Å; A190-L193 PolarHBondContact O-N 3.44Å; A190-R194 WeakPolarHBondContact O-CB 3.17Å; A190-R194 WeakPolarHBondContact O-CG 3.24Å; A190-R194 PolarHBondContact O-N 3.26Å; A190-A260 HydrophobicContact CB-CB 3.92Å
191P98.1Very high97.7Very high64 Ų6432.2 Ų32.242%0.41616%0.164SC..Hα-helixtrans-63.1-33.5179.623.9-33.7000112.7R187 D188 K195R187-P191 WeakPolarHBondContact O-CD 3.2Å; D188-P191 WeakPolarHBondContact O-CD 3.38Å; D188-P191 WeakPolarHBondContact O-CG 3.37Å; P191-K195 VanDerWaalsContact O-CB 3.3Å; P191-K195 WeakPolarHBondContact O-CB 3.48Å; P191-K195 PolarHBondContact O-N 2.71Å
192T98.6Very high97.7Very high30 Ų3030.9 Ų30.918%0.18416%0.157CC..Hα-helixtrans-68.2-48.5178.5-590000111.4V181 I183 D188 I189 A190 K195 A196 V210V181-T192 HydrophobicContact CB-CG2 4.4Å; V181-T192 HydrophobicContact CG1-CG2 3.5Å; V181-T192 VanDerWaalsContact CG1-CG2 3.5Å; V181-T192 HydrophobicContact CG2-CG2 3.98Å; I183-T192 HydrophobicContact CD1-CG2 4.02Å; I183-T192 HydrophobicContact CG1-CG2 3.82Å; D188-T192 WeakPolarHBondContact O-CB 3.23Å; D188-T192 PolarHBondContact O-N 3.08Å; D188-T192 VanDerWaalsContact O-N 3.11Å; D188-T192 PolarHBondContact O-OG1 3.05Å; I189-T192 PolarHBondContact O-N 2.85Å; A190-T192 VanDerWaalsContact C-N 3.27Å; A190-T192 PolarHBondContact O-N 3.14Å; T192-K195 PolarHBondContact O-N 2.85Å; T192-A196 WeakPolarHBondContact O-CB 3.42Å; T192-A196 PolarHBondContact O-N 3.04Å; T192-V210 HydrophobicContact CG2-CG1 4.3Å
193L98.7Very high97.5Very high0 Ų031.9 Ų31.90%016%0.158CC..Hα-helixtrans-63.3-45.6178.5-73.1177.1000111.8V62 V65 L148 I150 I189 A190 K195 A196 I197 V210V62-L193 HydrophobicContact CB-CD1 4.21Å; V62-L193 HydrophobicContact CG1-CD1 3.98Å; V62-L193 HydrophobicContact CG2-CD1 4.07Å; V65-L193 HydrophobicContact CB-CB 4.47Å; V65-L193 HydrophobicContact CB-CD1 4.3Å; V65-L193 HydrophobicContact CG1-CB 3.75Å; V65-L193 HydrophobicContact CG1-CD1 4.4Å; L148-L193 HydrophobicContact CD2-CD2 4.21Å; I150-L193 HydrophobicContact CD1-CD2 4.4Å; I189-L193 HydrophobicContact CG2-CD1 3.81Å; I189-L193 HydrophobicContact CG2-CG 4.45Å; I189-L193 WeakPolarHBondContact O-CB 3.12Å; I189-L193 WeakPolarHBondContact O-CG 3.39Å; I189-L193 PolarHBondContact O-N 3.12Å; A190-L193 PolarHBondContact O-N 3.44Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 2.62Å; L193-A196 PolarHBondContact O-N 2.97Å; L193-A196 VanDerWaalsContact O-N 3.17Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.29Å; L193-I197 PolarHBondContact O-N 3.5Å; L193-V210 HydrophobicContact CD2-CB 4.2Å; L193-V210 HydrophobicContact CD2-CG1 3.95Å; L193-V210 HydrophobicContact CD2-CG2 4.15Å
194R98.5Very high97.4Very high30 Ų3033.2 Ų33.211%0.11317%0.166CC..Hα-helixtrans-53.7-45.7173.9-72.7173.972.8-166.64.7112V65 A190 Q198 D261 A263 L265V65-R194 HydrophobicContact CG1-CG 4.2Å; A190-R194 WeakPolarHBondContact O-CB 3.17Å; A190-R194 WeakPolarHBondContact O-CG 3.24Å; A190-R194 PolarHBondContact O-N 3.26Å; R194-Q198 WeakPolarHBondContact O-CB 3.41Å; R194-Q198 PolarHBondContact O-N 2.76Å; R194-D261 WeakPolarHBondContact CD-O 3.36Å; R194-D261 VanDerWaalsContact CZ-CG 3.44Å; R194-D261 IonicContact CZ-OD1 2.86Å; R194-D261 IonicContact CZ-OD2 2.83Å; R194-D261 PolarHBondContact NE-O 2.86Å; R194-D261 VanDerWaalsContact NH1-CB 3.35Å; R194-D261 PolarHBondContact NH1-O 2.9Å; R194-D261 IonicContact NH1-OD1 3.96Å; R194-D261 IonicContact NH1-OD2 2.69Å; R194-D261 PolarHBondContact NH1-OD2 2.91Å; R194-D261 VanDerWaalsContact NH2-CG 3.31Å; R194-D261 IonicContact NH2-OD1 2.67Å; R194-D261 IonicContact NH2-OD2 3.96Å; R194-D261 PolarHBondContact NH2-OD2 3.11Å; R194-A263 PolarHBondContact NE-O 3.39Å; R194-A263 PolarHBondContact NH2-O 3.22Å; R194-L265 HydrophobicContact CB-CD1 4.2Å; R194-L265 HydrophobicContact CB-CG 4.35Å
195K98.6Very high97.6Very high96 Ų9630.7 Ų30.742%0.41715%0.148SC..Hα-helixtrans-67.5-43.1179.4-175.457.8179.2179.10111.8P191 T192 L193 Q198 I199 L265P191-K195 VanDerWaalsContact O-CB 3.3Å; P191-K195 WeakPolarHBondContact O-CB 3.48Å; P191-K195 PolarHBondContact O-N 2.71Å; T192-K195 PolarHBondContact O-N 2.85Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 2.62Å; K195-Q198 WeakPolarHBondContact O-CB 3.37Å; K195-Q198 PolarHBondContact O-N 3.45Å; K195-I199 HydrophobicContact CD-CD1 4.25Å; K195-I199 HydrophobicContact CD-CG1 4.4Å; K195-I199 HydrophobicContact CG-CD1 3.95Å; K195-I199 VanDerWaalsContact O-CG1 3.26Å; K195-I199 WeakPolarHBondContact O-CG1 3.49Å; K195-I199 PolarHBondContact O-N 3.43Å; K195-L265 HydrophobicContact CD-CD1 4.49Å
196A98.7Very high97.7Very high1 Ų128.7 Ų28.71%0.00814%0.142CC..Hα-helixtrans-60.2-47.817700000111.2L148 T192 L193 Q198 I199 A200 V208 V210L148-A196 HydrophobicContact CD1-CB 4.49Å; T192-A196 WeakPolarHBondContact O-CB 3.42Å; T192-A196 PolarHBondContact O-N 3.04Å; L193-A196 PolarHBondContact O-N 2.97Å; L193-A196 VanDerWaalsContact O-N 3.17Å; A196-Q198 PolarHBondContact O-N 3.17Å; A196-I199 PolarHBondContact O-N 3.15Å; A196-I199 VanDerWaalsContact O-N 3.15Å; A196-A200 WeakPolarHBondContact O-CB 3.41Å; A196-A200 PolarHBondContact O-N 2.94Å; A196-V208 HydrophobicContact CB-CG2 4.01Å; A196-V210 HydrophobicContact CB-CG2 3.6Å
197I98.7Very high97.8Very high1 Ų128.7 Ų28.71%0.00514%0.142CC..Hα-helixtrans-60.3-44176.9-65.5169.4000111.2V65 H69 I119 L148 L193 I199 A200 R201V65-I197 HydrophobicContact CG1-CD1 4.29Å; H69-I197 HydrophobicContact CB-CD1 4.11Å; H69-I197 VanDerWaalsContact CD2-CG2 3.46Å; H69-I197 WeakPolarHBondContact CD2-CG2 3.43Å; I119-I197 HydrophobicContact CD1-CB 4.1Å; I119-I197 HydrophobicContact CD1-CG1 3.77Å; I119-I197 HydrophobicContact CD1-CG2 3.91Å; L148-I197 HydrophobicContact CD2-CD1 4.34Å; L148-I197 HydrophobicContact CD2-CG1 4.09Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.29Å; L193-I197 PolarHBondContact O-N 3.5Å; I197-I199 VanDerWaalsContact C-N 3.34Å; I197-I199 PolarHBondContact O-N 2.95Å; I197-A200 PolarHBondContact O-N 3.4Å; I197-R201 WeakPolarHBondContact O-CG 3.46Å; I197-R201 PolarHBondContact O-N 2.92Å
198Q98.3Very high97.9Very high16 Ų1624.4 Ų24.48%0.07513%0.126CC..Hα-helixtrans-58.6-45.7174.7-172.7-167.943.400111.8R194 K195 A196 R201 S202 L265 P266 I267R194-Q198 WeakPolarHBondContact O-CB 3.41Å; R194-Q198 PolarHBondContact O-N 2.76Å; K195-Q198 WeakPolarHBondContact O-CB 3.37Å; K195-Q198 PolarHBondContact O-N 3.45Å; A196-Q198 PolarHBondContact O-N 3.17Å; Q198-R201 PolarHBondContact O-N 2.81Å; Q198-S202 VanDerWaalsContact O-CB 3.25Å; Q198-S202 WeakPolarHBondContact O-CB 3.4Å; Q198-S202 PolarHBondContact O-N 3.15Å; Q198-S202 PolarHBondContact O-OG 2.86Å; Q198-L265 HydrophobicContact CB-CB 4.03Å; Q198-L265 HydrophobicContact CB-CD1 4.19Å; Q198-L265 HydrophobicContact CG-CB 3.97Å; Q198-P266 PolarHBondContact NE2-O 2.77Å; Q198-I267 HydrophobicContact CG-CD1 4.43Å
199I98.5Very high98Very high32 Ų3222.3 Ų22.316%0.16412%0.115CC..Hα-helixtrans-64.3-43.7179.5-68.1164.6000110.3K178 H179 K195 A196 I197 R201 S202 V208K178-I199 HydrophobicContact CD-CG2 3.82Å; K178-I199 WeakPolarHBondContact CD-O 3.34Å; K178-I199 WeakPolarHBondContact CE-O 3.49Å; K178-I199 HydrophobicContact CG-CG2 3.91Å; K178-I199 PolarHBondContact NZ-O 3.32Å; H179-I199 HydrophobicContact CB-CD1 4.14Å; H179-I199 HydrophobicContact CB-CG2 3.86Å; K195-I199 HydrophobicContact CD-CD1 4.25Å; K195-I199 HydrophobicContact CD-CG1 4.4Å; K195-I199 HydrophobicContact CG-CD1 3.95Å; K195-I199 VanDerWaalsContact O-CG1 3.26Å; K195-I199 WeakPolarHBondContact O-CG1 3.49Å; K195-I199 PolarHBondContact O-N 3.43Å; A196-I199 PolarHBondContact O-N 3.15Å; A196-I199 VanDerWaalsContact O-N 3.15Å; I197-I199 VanDerWaalsContact C-N 3.34Å; I197-I199 PolarHBondContact O-N 2.95Å; I199-R201 PolarHBondContact O-N 3.01Å; I199-S202 PolarHBondContact O-N 3.39Å; I199-V208 HydrophobicContact CB-CG1 4.44Å; I199-V208 HydrophobicContact CG2-CG1 4.15Å
200A98.6Very high98Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-57.5-35.8179.400000112.4I119 A146 A196 I197 P205 G206 V208I119-A200 HydrophobicContact CD1-CB 4.15Å; A146-A200 HydrophobicContact CB-CB 4.37Å; A146-A200 WeakPolarHBondContact CB-O 3.35Å; A196-A200 WeakPolarHBondContact O-CB 3.41Å; A196-A200 PolarHBondContact O-N 2.94Å; I197-A200 PolarHBondContact O-N 3.4Å; A200-P205 CarbonylContact O-C 3.56Å; A200-P205 WeakPolarHBondContact O-CA 3.49Å; A200-P205 WeakPolarHBondContact O-CB 3.25Å; A200-G206 WeakPolarHBondContact CA-O 3.48Å; A200-G206 PolarHBondContact O-N 3.07Å; A200-V208 HydrophobicContact CB-CB 4.47Å; A200-V208 HydrophobicContact CB-CG1 3.83Å; A200-V208 HydrophobicContact CB-CG2 3.84Å
201R97.4Very high98Very high69 Ų6922.4 Ų22.426%0.2612%0.115SC..Hα-helixtrans-95.3-23.9-175-65.6177.170.1-165.21.1115.1P118 A146 I197 Q198 I199 I267P118-R201 WeakPolarHBondContact O-CD 3.34Å; P118-R201 WeakPolarHBondContact O-CG 3.24Å; P118-R201 PolarHBondContact O-NE 3.32Å; A146-R201 HydrophobicContact CB-CG 3.79Å; I197-R201 WeakPolarHBondContact O-CG 3.46Å; I197-R201 PolarHBondContact O-N 2.92Å; Q198-R201 PolarHBondContact O-N 2.81Å; I199-R201 PolarHBondContact O-N 3.01Å; R201-I267 HydrophobicContact CB-CD1 3.58Å; R201-I267 HydrophobicContact CB-CG1 4.17Å; R201-I267 HydrophobicContact CB-CG2 4.28Å; R201-I267 HydrophobicContact CG-CD1 4.42Å
202S96.7Very high98Very high8 Ų819.3 Ų19.36%0.05610%0.095CC..SBendtrans-81159.3-175.4-60.90000112.9K178 Q198 I199 V204 K268K178-S202 PolarHBondContact NZ-O 3.4Å; Q198-S202 VanDerWaalsContact O-CB 3.25Å; Q198-S202 WeakPolarHBondContact O-CB 3.4Å; Q198-S202 PolarHBondContact O-N 3.15Å; Q198-S202 PolarHBondContact O-OG 2.86Å; I199-S202 PolarHBondContact O-N 3.39Å; S202-V204 CarbonylContact O-C 3.56Å; S202-V204 PolarHBondContact O-N 2.76Å; S202-K268 CarbonylContact C-O 3.6Å; S202-K268 WeakPolarHBondContact CA-O 3.37Å; S202-K268 WeakPolarHBondContact CB-O 3.36Å; S202-K268 PolarHBondContact OG-N 3.3Å
203D94.7Very high97.9Very high72 Ų7218.1 Ų18.139%0.3859%0.088SC..SBendtrans50.1-120.7-178.7-60.6-57.1000111.3P205 K268 R379D203-P205 WeakPolarHBondContact O-CD 3.5Å; D203-K268 PolarHBondContact N-O 2.7Å; D203-R379 WeakPolarHBondContact O-CD 3.32Å; D203-R379 PolarHBondContact O-NH1 2.86Å
204V95.3Very high97.8Very high32 Ų3219.7 Ų19.719%0.19410%0.097CC..SBendtrans-80.8114.4166-175.60000106.9Q144 K178 S202 R379Q144-V204 HydrophobicContact CB-CG1 4.04Å; Q144-V204 VanDerWaalsContact CD-CG1 3.42Å; Q144-V204 HydrophobicContact CG-CG1 3.63Å; Q144-V204 VanDerWaalsContact NE2-CG1 3.33Å; K178-V204 PolarHBondContact NZ-O 3.45Å; S202-V204 CarbonylContact O-C 3.56Å; S202-V204 PolarHBondContact O-N 2.76Å; V204-R379 HydrophobicContact CG2-CB 3.85Å
205P97.1Very high97.7Very high11 Ų1118.7 Ų18.77%0.0719%0.094CC..  trans-66.2157.1177.6-15.531000110.6Q144 A146 A200 D203 L300Q144-P205 CarbonylContact C-O 3.56Å; Q144-P205 WeakPolarHBondContact CA-O 3.26Å; Q144-P205 WeakPolarHBondContact CB-O 3.4Å; Q144-P205 WeakPolarHBondContact O-CB 3.26Å; A146-P205 HydrophobicContact CB-CB 4.09Å; A200-P205 CarbonylContact O-C 3.56Å; A200-P205 WeakPolarHBondContact O-CA 3.49Å; A200-P205 WeakPolarHBondContact O-CB 3.25Å; D203-P205 WeakPolarHBondContact O-CD 3.5Å; P205-L300 HydrophobicContact CG-CD1 4.03Å; P205-L300 HydrophobicContact CG-CD2 4.01Å; P205-L300 HydrophobicContact CG-CG 4.49Å
206G97.9Very high97.6Very high5 Ų514.1 Ų14.15%0.0527%0.074CC..  trans-179.3167.2-176.500000111.7S145 A200S145-G206 CarbonylContact O-C 3.35Å; S145-G206 WeakPolarHBondContact O-CA 3.12Å; S145-G206 PolarHBondContact O-N 3.03Å; A200-G206 WeakPolarHBondContact CA-O 3.48Å; A200-G206 PolarHBondContact O-N 3.07Å
207P98.8Very high97.5Very high0 Ų014 Ų140%07%0.074CC..  trans-68.8146.4-176.228.1-35.1000111.7V137 Q141 V147 V176 C177 K178V137-P207 HydrophobicContact CG1-CB 3.81Å; V137-P207 HydrophobicContact CG1-CG 3.81Å; Q141-P207 VanDerWaalsContact CA-CD 3.45Å; Q141-P207 HydrophobicContact CB-CG 3.84Å; Q141-P207 HydrophobicContact CG-CG 4.44Å; V147-P207 HydrophobicContact CB-CB 4.31Å; V147-P207 CarbonylContact O-C 3.58Å; V147-P207 WeakPolarHBondContact O-CA 3.48Å; V176-P207 VanDerWaalsContact O-CG 3.32Å; V176-P207 WeakPolarHBondContact O-CG 3.42Å; C177-P207 CarbonylContact C-O 3.36Å; C177-P207 WeakPolarHBondContact CA-O 3.48Å; K178-P207 PolarHBondContact N-O 3.49Å
208V98.9Very high97.4Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-126.8145.1170.9-61.90000109.4V147 L148 I149 K178 H179 A196 I199 A200V147-V208 PolarHBondContact O-N 3Å; L148-V208 HydrophobicContact CB-CG2 4.34Å; L148-V208 HydrophobicContact CD1-CG2 3.75Å; I149-V208 PolarHBondContact N-O 3.41Å; K178-V208 HydrophobicContact CB-CG1 4.46Å; H179-V208 HydrophobicContact CB-CB 4.46Å; H179-V208 HydrophobicContact CB-CG1 3.95Å; H179-V208 CarbonylContact O-C 3.22Å; H179-V208 WeakPolarHBondContact O-CA 3.42Å; A196-V208 HydrophobicContact CB-CG2 4.01Å; I199-V208 HydrophobicContact CB-CG1 4.44Å; I199-V208 HydrophobicContact CG2-CG1 4.15Å; A200-V208 HydrophobicContact CB-CB 4.47Å; A200-V208 HydrophobicContact CB-CG1 3.83Å; A200-V208 HydrophobicContact CB-CG2 3.84Å
209F98.9Very high97.3Very high0 Ų016.1 Ų16.10%09%0.085CC..EExtended strand (participates in β ladder)trans-113.7128.6177.6-179.8-118.4000110.5V130 I149 Q169 I170 M173 H179 V180 V181 E211V130-F209 HydrophobicContact CG1-CE2 3.94Å; V130-F209 HydrophobicContact CG1-CZ 3.9Å; V130-F209 HydrophobicContact CG2-CE2 3.86Å; V130-F209 HydrophobicContact CG2-CZ 3.86Å; I149-F209 HydrophobicContact CB-CD2 3.97Å; I149-F209 HydrophobicContact CG2-CD2 3.78Å; I149-F209 HydrophobicContact CG2-CE2 4.16Å; I149-F209 WeakPolarHBondContact O-CA 3.35Å; I149-F209 WeakPolarHBondContact O-CD2 3.44Å; Q169-F209 HydrophobicContact CB-CE1 4.04Å; Q169-F209 HydrophobicContact CB-CZ 4.18Å; I170-F209 HydrophobicContact CD1-CD1 4.3Å; I170-F209 HydrophobicContact CD1-CE1 4.15Å; M173-F209 HydrophobicContact CB-CB 4.06Å; M173-F209 HydrophobicContact CB-CD1 3.71Å; M173-F209 HydrophobicContact CB-CE1 4.41Å; M173-F209 HydrophobicContact CB-CG 3.96Å; M173-F209 HydrophobicContact CE-CB 3.9Å; M173-F209 HydrophobicContact CE-CD2 3.75Å; M173-F209 HydrophobicContact CE-CE2 4.46Å; M173-F209 HydrophobicContact CE-CG 3.86Å; M173-F209 HydrophobicContact CG-CB 4.34Å; M173-F209 HydrophobicContact CG-CD1 3.65Å; M173-F209 HydrophobicContact CG-CD2 4.2Å; M173-F209 HydrophobicContact CG-CE1 3.96Å; M173-F209 HydrophobicContact CG-CE2 4.43Å; M173-F209 HydrophobicContact CG-CG 3.81Å; M173-F209 HydrophobicContact CG-CZ 4.35Å; H179-F209 PolarHBondContact O-N 3.45Å; V180-F209 WeakPolarHBondContact CA-O 2.88Å; V180-F209 HydrophobicContact CG1-CB 4.41Å; V180-F209 HydrophobicContact CG1-CD1 3.8Å; V180-F209 HydrophobicContact CG2-CB 4.15Å; V181-F209 PolarHBondContact N-O 2.87Å; V181-F209 VanDerWaalsContact N-O 3.09Å; F209-E211 HydrophobicContact CE1-CB 3.86Å; F209-E211 HydrophobicContact CZ-CB 4.14Å
210V98.8Very high97.1Very high0 Ų014.7 Ų14.70%08%0.078CC..EExtended strand (participates in β ladder)trans-120.7110.1174.2-177.50000108.3L148 I149 I150 G151 V181 I183 T192 L193 A196 I212L148-V210 HydrophobicContact CD1-CB 4.3Å; L148-V210 HydrophobicContact CD1-CG2 3.7Å; I149-V210 PolarHBondContact O-N 2.89Å; I150-V210 WeakPolarHBondContact CA-O 3.13Å; G151-V210 PolarHBondContact N-O 3.3Å; V181-V210 HydrophobicContact CG1-CB 4.44Å; V181-V210 HydrophobicContact CG1-CG1 4.29Å; V181-V210 HydrophobicContact CG1-CG2 3.93Å; V181-V210 WeakPolarHBondContact O-CA 3.21Å; I183-V210 HydrophobicContact CD1-CG1 3.65Å; I183-V210 HydrophobicContact CG1-CG1 4.29Å; T192-V210 HydrophobicContact CG2-CG1 4.3Å; L193-V210 HydrophobicContact CD2-CB 4.2Å; L193-V210 HydrophobicContact CD2-CG1 3.95Å; L193-V210 HydrophobicContact CD2-CG2 4.15Å; A196-V210 HydrophobicContact CB-CG2 3.6Å; V210-I212 HydrophobicContact CG1-CD1 4.42Å; V210-I212 HydrophobicContact CG1-CG1 4.06Å
211E98.5Very high96.8Very high3 Ų319.2 Ų19.21%0.01410%0.099CC..EExtended strand (participates in β ladder)trans-81.8123.9173.2-175.4-177.777.400109.1G151 A153 K159 Q169 I170 V181 S182 I183 F209G151-E211 WeakPolarHBondContact O-CA 3.37Å; A153-E211 HydrophobicContact CB-CG 3.44Å; A153-E211 VanDerWaalsContact CB-CG 3.44Å; K159-E211 IonicContact NZ-OE1 2.84Å; K159-E211 PolarHBondContact NZ-OE1 2.73Å; K159-E211 VanDerWaalsContact NZ-OE1 3.11Å; K159-E211 IonicContact NZ-OE2 3.59Å; Q169-E211 PolarHBondContact NE2-OE2 3.11Å; I170-E211 HydrophobicContact CD1-CB 3.91Å; V181-E211 PolarHBondContact O-N 3.04Å; S182-E211 WeakPolarHBondContact CA-O 3.35Å; S182-E211 VanDerWaalsContact CB-OE1 3.32Å; S182-E211 WeakPolarHBondContact CB-OE1 3.5Å; S182-E211 PolarHBondContact OG-OE1 2.79Å; I183-E211 PolarHBondContact N-O 2.86Å; F209-E211 HydrophobicContact CE1-CB 3.86Å; F209-E211 HydrophobicContact CZ-CB 4.14Å
212I98.3Very high96.6Very high0 Ų018.2 Ų18.20%010%0.1CC..EExtended strand (participates in β ladder)trans-120.4108.7176.2-42.2-170.6000109.2V62 I85 I150 G151 A153 I183 V210 A216 L217V62-I212 HydrophobicContact CG2-CD1 3.81Å; I85-I212 HydrophobicContact CD1-CD1 4.37Å; I150-I212 HydrophobicContact CG2-CD1 3.77Å; I150-I212 HydrophobicContact CG2-CG1 4Å; G151-I212 PolarHBondContact O-N 3.21Å; A153-I212 PolarHBondContact N-O 3.28Å; A153-I212 VanDerWaalsContact N-O 3.1Å; I183-I212 HydrophobicContact CD1-CD1 4.13Å; I183-I212 HydrophobicContact CD1-CG1 4.01Å; V210-I212 HydrophobicContact CG1-CD1 4.42Å; V210-I212 HydrophobicContact CG1-CG1 4.06Å; I212-A216 HydrophobicContact CG2-CB 4.22Å; I212-L217 HydrophobicContact CB-CD1 4.23Å; I212-L217 HydrophobicContact CB-CD2 4.45Å; I212-L217 HydrophobicContact CB-CG 4.37Å; I212-L217 HydrophobicContact CG2-CD1 4.07Å; I212-L217 HydrophobicContact CG2-CD2 3.69Å; I212-L217 HydrophobicContact CG2-CG 3.66Å
213P97.3Very high96.4Very high4 Ų418.2 Ų18.23%0.02610%0.1CC..EExtended strand (participates in β ladder)trans-57.1142.9172.8-29.938.9000113.7A153 P156 I183 D215 A216A153-P213 WeakPolarHBondContact O-CA 3.49Å; P156-P213 HydrophobicContact CG-CB 4.4Å; P156-P213 HydrophobicContact CG-CG 4.18Å; I183-P213 WeakPolarHBondContact O-CD 3.42Å; I183-P213 WeakPolarHBondContact O-CG 3.46Å; P213-D215 WeakPolarHBondContact CB-OD1 3.3Å; P213-D215 PolarHBondContact O-N 2.93Å; P213-A216 WeakPolarHBondContact O-CB 3.28Å; P213-A216 PolarHBondContact O-N 2.91Å
214V96Very high96.3Very high34 Ų3416.4 Ų16.421%0.2069%0.089CC..Hα-helixtrans-58.8-31.9-176.165.50000113.5A153 A216 L217 H218A153-V214 PolarHBondContact O-N 3.3Å; V214-A216 VanDerWaalsContact C-N 3.34Å; V214-L217 PolarHBondContact O-N 3.44Å; V214-L217 VanDerWaalsContact O-N 3.15Å; V214-H218 VanDerWaalsContact CG2-CE1 3.43Å; V214-H218 WeakPolarHBondContact CG2-CE1 3.3Å; V214-H218 WeakPolarHBondContact CG2-ND1 3.39Å; V214-H218 PolarHBondContact O-N 2.94Å; V214-H218 PolarHBondContact O-ND1 3.34Å
215D95.4Very high96Very high8 Ų818.1 Ų18.14%0.04311%0.106CC..Hα-helixtrans-74.6-22.6177.755.2-11.2000113.1S155 P213 L217 V223 Y248 L252S155-D215 VanDerWaalsContact CB-OD2 3.3Å; S155-D215 WeakPolarHBondContact CB-OD2 3.5Å; S155-D215 PolarHBondContact OG-OD2 2.66Å; P213-D215 WeakPolarHBondContact CB-OD1 3.3Å; P213-D215 PolarHBondContact O-N 2.93Å; D215-L217 VanDerWaalsContact C-N 3.25Å; D215-V223 HydrophobicContact CB-CG1 3.79Å; D215-V223 HydrophobicContact CB-CG2 4.1Å; D215-V223 WeakPolarHBondContact O-CG2 3.22Å; D215-Y248 WeakPolarHBondContact OD2-CE1 3.31Å; D215-Y248 PolarHBondContact OD2-OH 3.37Å; D215-L252 HydrophobicContact CB-CD2 3.85Å
216A97.2Very high95.6Very high0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-76.4-14.6168.800000112.7G58 V186 I212 P213 V214 L252G58-A216 WeakPolarHBondContact CA-O 3.48Å; V186-A216 HydrophobicContact CG2-CB 4.49Å; I212-A216 HydrophobicContact CG2-CB 4.22Å; P213-A216 WeakPolarHBondContact O-CB 3.28Å; P213-A216 PolarHBondContact O-N 2.91Å; V214-A216 VanDerWaalsContact C-N 3.34Å; A216-L252 HydrophobicContact CB-CD1 4.06Å
217L97.5Very high95.1Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-100.6-18.3-174.8-70.2174.1000114.4F57 V62 H81 P84 I85 I212 V214 D215F57-L217 WeakPolarHBondContact CB-O 3.2Å; F57-L217 VanDerWaalsContact CD2-O 3.28Å; F57-L217 WeakPolarHBondContact CD2-O 3.36Å; V62-L217 HydrophobicContact CG2-CD2 4.13Å; H81-L217 VanDerWaalsContact O-CD1 3.24Å; H81-L217 WeakPolarHBondContact O-CD1 3.11Å; P84-L217 HydrophobicContact CB-CB 4.2Å; P84-L217 VanDerWaalsContact CB-O 3.27Å; P84-L217 WeakPolarHBondContact CB-O 3.38Å; P84-L217 HydrophobicContact CG-CB 4.01Å; I85-L217 HydrophobicContact CD1-CD1 3.81Å; I85-L217 HydrophobicContact CD1-CD2 3.89Å; I85-L217 HydrophobicContact CG1-CD1 4.03Å; I85-L217 HydrophobicContact CG1-CD2 3.64Å; I85-L217 HydrophobicContact CG1-CG 4.47Å; I212-L217 HydrophobicContact CB-CD1 4.23Å; I212-L217 HydrophobicContact CB-CD2 4.45Å; I212-L217 HydrophobicContact CB-CG 4.37Å; I212-L217 HydrophobicContact CG2-CD1 4.07Å; I212-L217 HydrophobicContact CG2-CD2 3.69Å; I212-L217 HydrophobicContact CG2-CG 3.66Å; V214-L217 PolarHBondContact O-N 3.44Å; V214-L217 VanDerWaalsContact O-N 3.15Å; D215-L217 VanDerWaalsContact C-N 3.25Å
218H95.8Very high94.4Very high42 Ų4234.6 Ų34.619%0.19418%0.179CC..SBendtrans-100.6159-177-7581.9000112.8P84 V214 V222 V223P84-H218 WeakPolarHBondContact CG-CE1 3.19Å; V214-H218 VanDerWaalsContact CG2-CE1 3.43Å; V214-H218 WeakPolarHBondContact CG2-CE1 3.3Å; V214-H218 WeakPolarHBondContact CG2-ND1 3.39Å; V214-H218 PolarHBondContact O-N 2.94Å; V214-H218 PolarHBondContact O-ND1 3.34Å; H218-V222 HydrophobicContact CB-CB 4.33Å; H218-V222 HydrophobicContact CB-CG1 4.29Å; H218-V223 HydrophobicContact CB-CG2 3.98Å
219P95.3Very high93.3Very high19 Ų1935.9 Ų35.912%0.12319%0.186CC..  trans-59.8148.6172-20.830.4000112.1F57 H221 V222 V223F57-P219 HydrophobicContact CB-CB 4.46Å; F57-P219 HydrophobicContact CB-CG 3.83Å; F57-P219 HydrophobicContact CD1-CG 4.07Å; F57-P219 HydrophobicContact CG-CG 4.24Å; P219-H221 VanDerWaalsContact C-N 3.29Å; P219-H221 WeakPolarHBondContact CB-CE1 3.46Å; P219-H221 PolarHBondContact O-N 2.86Å; P219-V222 HydrophobicContact CB-CG2 4.32Å; P219-V222 HydrophobicContact CG-CG2 4.27Å; P219-V222 WeakPolarHBondContact O-CB 3.1Å; P219-V222 PolarHBondContact O-N 3.33Å; P219-V223 PolarHBondContact O-N 3.49Å
220I94Very high92.2Very high2 Ų240.5 Ų40.51%0.0121%0.21CC..Hα-helixtrans-54.3-41.3-175.4-170.5170.7000113.3V50 S52 V222 V223 E224 L249 F253V50-I220 HydrophobicContact CG1-CD1 3.37Å; S52-I220 WeakPolarHBondContact O-CG2 3.43Å; I220-V222 VanDerWaalsContact C-N 3.3Å; I220-V222 PolarHBondContact O-N 2.96Å; I220-V223 PolarHBondContact O-N 2.94Å; I220-E224 HydrophobicContact CG1-CG 4.38Å; I220-E224 WeakPolarHBondContact O-CB 3.45Å; I220-E224 WeakPolarHBondContact O-CG 3.46Å; I220-E224 PolarHBondContact O-N 3.01Å; I220-L249 HydrophobicContact CD1-CD2 4.18Å; I220-L249 HydrophobicContact CD1-CG 4.28Å; I220-L249 HydrophobicContact CG1-CD1 4.09Å; I220-L249 HydrophobicContact CG1-CD2 4.12Å; I220-L249 HydrophobicContact CG1-CG 4.21Å; I220-F253 HydrophobicContact CB-CD1 4.14Å; I220-F253 HydrophobicContact CB-CD2 4.21Å; I220-F253 HydrophobicContact CB-CE1 3.96Å; I220-F253 HydrophobicContact CB-CE2 4.04Å; I220-F253 HydrophobicContact CB-CG 4.26Å; I220-F253 HydrophobicContact CB-CZ 3.92Å; I220-F253 HydrophobicContact CD1-CB 4.2Å; I220-F253 HydrophobicContact CD1-CD2 3.97Å; I220-F253 HydrophobicContact CD1-CG 4.01Å; I220-F253 HydrophobicContact CG1-CD2 3.79Å; I220-F253 HydrophobicContact CG1-CE2 3.89Å; I220-F253 HydrophobicContact CG1-CG 4.14Å; I220-F253 HydrophobicContact CG1-CZ 4.3Å
221H92.5Very high91.3Very high94 Ų9448.2 Ų48.244%0.43524%0.244SC..Hα-helixtrans-66.8-29.5-179.464.8-89.4000113.3P219 A225P219-H221 VanDerWaalsContact C-N 3.29Å; P219-H221 WeakPolarHBondContact CB-CE1 3.46Å; P219-H221 PolarHBondContact O-N 2.86Å; H221-A225 WeakPolarHBondContact O-CB 3.49Å; H221-A225 PolarHBondContact O-N 3.29Å
222V93.7Very high90.5Very high49 Ų4956.1 Ų56.130%0.29728%0.278SS..Hα-helixtrans-71.6-46.3174178.10000109.5H218 P219 I220 E224 A225 E226H218-V222 HydrophobicContact CB-CB 4.33Å; H218-V222 HydrophobicContact CB-CG1 4.29Å; P219-V222 HydrophobicContact CB-CG2 4.32Å; P219-V222 HydrophobicContact CG-CG2 4.27Å; P219-V222 WeakPolarHBondContact O-CB 3.1Å; P219-V222 PolarHBondContact O-N 3.33Å; I220-V222 VanDerWaalsContact C-N 3.3Å; I220-V222 PolarHBondContact O-N 2.96Å; V222-E224 VanDerWaalsContact C-N 3.34Å; V222-E224 PolarHBondContact O-N 3.34Å; V222-A225 PolarHBondContact O-N 2.88Å; V222-E226 WeakPolarHBondContact O-CG 3.44Å; V222-E226 PolarHBondContact O-N 2.97Å
223V93.5Very high89.9Confident7 Ų756.3 Ų56.34%0.04228%0.279CS..Hα-helixtrans-60.1-44.4177.3-179.20000111.1D215 H218 P219 I220 A225 E226 M227 L249 L252 F253D215-V223 HydrophobicContact CB-CG1 3.79Å; D215-V223 HydrophobicContact CB-CG2 4.1Å; D215-V223 WeakPolarHBondContact O-CG2 3.22Å; H218-V223 HydrophobicContact CB-CG2 3.98Å; P219-V223 PolarHBondContact O-N 3.49Å; I220-V223 PolarHBondContact O-N 2.94Å; V223-A225 VanDerWaalsContact C-N 3.34Å; V223-A225 PolarHBondContact O-N 3.44Å; V223-E226 PolarHBondContact O-N 3.32Å; V223-M227 HydrophobicContact CG1-CG 4.37Å; V223-M227 HydrophobicContact CG1-SD 3.91Å; V223-M227 WeakPolarHBondContact O-CB 3.02Å; V223-M227 WeakPolarHBondContact O-CG 3.25Å; V223-M227 PolarHBondContact O-N 3.37Å; V223-L249 HydrophobicContact CB-CD1 4.24Å; V223-L249 HydrophobicContact CG1-CD1 3.76Å; V223-L252 HydrophobicContact CG1-CD2 4.45Å; V223-F253 HydrophobicContact CB-CE2 4.28Å; V223-F253 HydrophobicContact CG1-CE2 4.41Å; V223-F253 HydrophobicContact CG2-CE2 4.19Å; V223-F253 HydrophobicContact CG2-CZ 4Å
224E90.9Very high89.4Confident34 Ų3463.7 Ų63.716%0.15932%0.319CS..Hα-helixtrans-58-43.2175.3-78.7178.5-170.700113.3R45 I220 V222 L249R45-E224 IonicContact CZ-OE1 2.7Å; R45-E224 IonicContact NH1-OE1 3.65Å; R45-E224 PolarHBondContact NH1-OE1 2.73Å; R45-E224 IonicContact NH2-OE1 3.53Å; R45-E224 PolarHBondContact NH2-OE1 3.17Å; R45-E224 IonicContact NH2-OE2 2.7Å; I220-E224 HydrophobicContact CG1-CG 4.38Å; I220-E224 WeakPolarHBondContact O-CB 3.45Å; I220-E224 WeakPolarHBondContact O-CG 3.46Å; I220-E224 PolarHBondContact O-N 3.01Å; V222-E224 VanDerWaalsContact C-N 3.34Å; V222-E224 PolarHBondContact O-N 3.34Å; E224-L249 HydrophobicContact CG-CD1 4.24Å; E224-L249 HydrophobicContact CG-CD2 3.33Å; E224-L249 HydrophobicContact CG-CG 4.41Å; E224-L249 WeakPolarHBondContact OE1-CD2 3.48Å
225A90.4Very high89.2Confident68 Ų6865.2 Ų65.256%0.56233%0.331SS*.Hα-helixtrans-65.5-45.5179.100000111.3H221 V222 V223 M227 K228H221-A225 WeakPolarHBondContact O-CB 3.49Å; H221-A225 PolarHBondContact O-N 3.29Å; V222-A225 PolarHBondContact O-N 2.88Å; V223-A225 VanDerWaalsContact C-N 3.34Å; V223-A225 PolarHBondContact O-N 3.44Å; A225-M227 VanDerWaalsContact C-N 3.33Å; A225-M227 PolarHBondContact O-N 2.86Å; A225-K228 PolarHBondContact O-N 2.94Å; A225-K228 VanDerWaalsContact O-N 3.11Å
226E88.2Confident88.9Confident146 Ų14671.5 Ų71.568%0.68236%0.363SS*.Hα-helixtrans-65.3-34.2178.1-72.6-58145.600112.9V222 V223 K228V222-E226 WeakPolarHBondContact O-CG 3.44Å; V222-E226 PolarHBondContact O-N 2.97Å; V223-E226 PolarHBondContact O-N 3.32Å; E226-K228 PolarHBondContact O-N 3.14Å; E226-K228 VanDerWaalsContact O-N 3.15Å
227M87Confident88.6Confident38 Ų3880.8 Ų80.819%0.18740%0.398CS..THydrogen-bonded Turntrans-66-12.3175-73.9176.964.900113.4L157 V223 A225 L229 M245 Y248 L249L157-M227 HydrophobicContact CD1-CE 3.51Å; L157-M227 HydrophobicContact CD1-CG 4.3Å; L157-M227 HydrophobicContact CD1-SD 4.13Å; V223-M227 HydrophobicContact CG1-CG 4.37Å; V223-M227 HydrophobicContact CG1-SD 3.91Å; V223-M227 WeakPolarHBondContact O-CB 3.02Å; V223-M227 WeakPolarHBondContact O-CG 3.25Å; V223-M227 PolarHBondContact O-N 3.37Å; A225-M227 VanDerWaalsContact C-N 3.33Å; A225-M227 PolarHBondContact O-N 2.86Å; M227-L229 HydrophobicContact CB-CD1 4.28Å; M227-L229 HydrophobicContact CB-CG 4.21Å; M227-L229 HydrophobicContact CE-CD1 4.27Å; M227-L229 PolarHBondContact O-N 3.01Å; M227-L229 VanDerWaalsContact O-N 3.14Å; M227-M245 HydrophobicContact CE-CB 3.69Å; M227-M245 HydrophobicContact CE-CG 4.11Å; M227-M245 HydrophobicContact CE-SD 3.58Å; M227-M245 VanDerWaalsContact CE-SD 3.58Å; M227-Y248 HydrophobicContact CE-CD1 4.07Å; M227-Y248 HydrophobicContact SD-CD1 4.33Å; M227-L249 HydrophobicContact SD-CD1 4.08Å
228K83.5Confident88.2Confident179 Ų17981.6 Ų81.678%0.77841%0.406SS*.THydrogen-bonded Turntrans48.141.3-179.2-63.1-179.3-176.6178.10112.7A225 E226 N230A225-K228 PolarHBondContact O-N 2.94Å; A225-K228 VanDerWaalsContact O-N 3.11Å; E226-K228 PolarHBondContact O-N 3.14Å; E226-K228 VanDerWaalsContact O-N 3.15Å; K228-N230 PolarHBondContact O-N 3.34Å; K228-N230 VanDerWaalsContact O-N 3.13Å
229L76.4Confident87.9Confident26 Ų2686.1 Ų86.114%0.13642%0.423CS..  trans-56.4113.2179.4-89.2158.9000111M227 K231 M245M227-L229 HydrophobicContact CB-CD1 4.28Å; M227-L229 HydrophobicContact CB-CG 4.21Å; M227-L229 HydrophobicContact CE-CD1 4.27Å; M227-L229 PolarHBondContact O-N 3.01Å; M227-L229 VanDerWaalsContact O-N 3.14Å; L229-K231 PolarHBondContact O-N 3.26Å; L229-M245 HydrophobicContact CD2-CB 3.27Å; L229-M245 HydrophobicContact CD2-CG 4.13Å; L229-M245 HydrophobicContact CG-CB 4.2Å
230N77.2Confident87.6Confident98 Ų9890.5 Ų90.552%0.52445%0.445SS..  trans-70.6100.5170.6-178.54.1000109.7K228 K232 P233 H242K228-N230 PolarHBondContact O-N 3.34Å; K228-N230 VanDerWaalsContact O-N 3.13Å; N230-K232 PolarHBondContact ND2-O 2.84Å; N230-K232 PolarHBondContact O-N 3.25Å; N230-K232 VanDerWaalsContact OD1-C 3.32Å; N230-K232 PolarHBondContact OD1-N 3.46Å; N230-K232 PolarHBondContact OD1-O 3.29Å; N230-P233 WeakPolarHBondContact O-CD 3.34Å; N230-P233 WeakPolarHBondContact O-CG 3.37Å; N230-H242 PolarHBondContact O-CD2 3.31Å
231K78.7Confident87.4Confident162 Ų16294.6 Ų94.670%0.70447%0.465SS*.SBendtrans-66.8-15.8-178.5-61.8-172.1178.3-174.10114.1L229L229-K231 PolarHBondContact O-N 3.26Å
232K83Confident87.2Confident169 Ų16992.3 Ų92.374%0.73546%0.455SS*.SBendtrans-132.675.8177.6-65.9-175.3-179.7-1790110.5N230 N234N230-K232 PolarHBondContact ND2-O 2.84Å; N230-K232 PolarHBondContact O-N 3.25Å; N230-K232 VanDerWaalsContact OD1-C 3.32Å; N230-K232 PolarHBondContact OD1-N 3.46Å; N230-K232 PolarHBondContact OD1-O 3.29Å; K232-N234 PolarHBondContact O-OD1 3.06Å
233P84.4Confident87Confident3 Ų396.8 Ų96.82%0.01947%0.467CS..  trans-65.8138.8176.4-16.430.7000111.7N230 Y239 H242N230-P233 WeakPolarHBondContact O-CD 3.34Å; N230-P233 WeakPolarHBondContact O-CG 3.37Å; P233-Y239 HydrophobicContact CB-CD1 4.28Å; P233-Y239 HydrophobicContact CB-CD2 4.07Å; P233-Y239 HydrophobicContact CB-CE1 4.47Å; P233-Y239 HydrophobicContact CB-CE2 4.25Å; P233-Y239 HydrophobicContact CB-CG 4.07Å; P233-Y239 HydrophobicContact CG-CD1 4.08Å; P233-Y239 HydrophobicContact CG-CE1 4.29Å; P233-Y239 HydrophobicContact CG-CG 4.3Å; P233-Y239 WeakPolarHBondContact O-CE2 3.31Å; P233-Y239 PolarHBondContact O-OH 3.21Å; P233-H242 HydrophobicContact CG-CB 3.77Å
234N87.8Confident86.9Confident159 Ų159101.4 Ų101.485%0.8549%0.486SS*.  trans-104.38.2178.7-64.5-12.5000113K232K232-N234 PolarHBondContact O-OD1 3.06Å
235S90.1Very high86.9Confident66 Ų66101.2 Ų101.246%0.46249%0.486SS..SBendtrans-140.9153.6-179.370.90000111.3R237 G238 Y239S235-R237 VanDerWaalsContact C-N 3.28Å; S235-R237 PolarHBondContact O-N 3.46Å; S235-G238 WeakPolarHBondContact O-CA 3.34Å; S235-G238 PolarHBondContact O-N 2.97Å; S235-G238 PolarHBondContact OG-N 3.26Å; S235-G238 VanDerWaalsContact OG-N 3.1Å; S235-Y239 VanDerWaalsContact O-CD2 3.31Å; S235-Y239 WeakPolarHBondContact O-CD2 3.41Å; S235-Y239 PolarHBondContact O-N 3.19Å
236I89.9Confident86.9Confident140 Ų14098.8 Ų98.872%0.71846%0.463SS*.Hα-helixtrans-55.5-45.3177.5-61.5171.8000110.5G238 Y239 L240I236-G238 VanDerWaalsContact C-N 3.29Å; I236-G238 PolarHBondContact O-N 3.24Å; I236-Y239 PolarHBondContact O-N 2.98Å; I236-L240 HydrophobicContact CG2-CD1 4.37Å; I236-L240 WeakPolarHBondContact O-CG 3.36Å; I236-L240 PolarHBondContact O-N 2.88Å
237R90.4Very high87Confident195 Ų19593.9 Ų93.974%0.73644%0.441SS*.Hα-helixtrans-57.9-42.4175.1-176.5179.2177.6-179.30.1111.6S235 L240 I241S235-R237 VanDerWaalsContact C-N 3.28Å; S235-R237 PolarHBondContact O-N 3.46Å; R237-L240 PolarHBondContact O-N 3.29Å; R237-I241 HydrophobicContact CG-CD1 4.04Å; R237-I241 WeakPolarHBondContact O-CG1 3.38Å; R237-I241 PolarHBondContact O-N 2.91Å
238G90.3Very high87.3Confident17 Ų1793.8 Ų93.818%0.17544%0.439CS..Hα-helixtrans-62.5-42.9176.300000112.5S235 I236 I241 H242S235-G238 WeakPolarHBondContact O-CA 3.34Å; S235-G238 PolarHBondContact O-N 2.97Å; S235-G238 PolarHBondContact OG-N 3.26Å; S235-G238 VanDerWaalsContact OG-N 3.1Å; I236-G238 VanDerWaalsContact C-N 3.29Å; I236-G238 PolarHBondContact O-N 3.24Å; G238-I241 PolarHBondContact O-N 3.42Å; G238-H242 WeakPolarHBondContact O-CB 3.4Å; G238-H242 PolarHBondContact O-N 3.08Å
239Y88Confident87.8Confident138 Ų13885.2 Ų85.254%0.54140%0.402SS..Hα-helixtrans-62.7-42175.1-82.4-73.6000112.3P233 S235 I236 H242 W243P233-Y239 HydrophobicContact CB-CD1 4.28Å; P233-Y239 HydrophobicContact CB-CD2 4.07Å; P233-Y239 HydrophobicContact CB-CE1 4.47Å; P233-Y239 HydrophobicContact CB-CE2 4.25Å; P233-Y239 HydrophobicContact CB-CG 4.07Å; P233-Y239 HydrophobicContact CG-CD1 4.08Å; P233-Y239 HydrophobicContact CG-CE1 4.29Å; P233-Y239 HydrophobicContact CG-CG 4.3Å; P233-Y239 WeakPolarHBondContact O-CE2 3.31Å; P233-Y239 PolarHBondContact O-OH 3.21Å; S235-Y239 VanDerWaalsContact O-CD2 3.31Å; S235-Y239 WeakPolarHBondContact O-CD2 3.41Å; S235-Y239 PolarHBondContact O-N 3.19Å; I236-Y239 PolarHBondContact O-N 2.98Å; Y239-H242 PolarHBondContact O-N 3.02Å; Y239-W243 VanDerWaalsContact O-CB 3.26Å; Y239-W243 WeakPolarHBondContact O-CB 3.32Å; Y239-W243 PolarHBondContact O-N 2.78Å
240L90.1Very high88.5Confident111 Ų11184 Ų8458%0.58140%0.395SS*.Hα-helixtrans-62.8-43.8176.2-69.8174.8000112.2I236 R237 W243 F244I236-L240 HydrophobicContact CG2-CD1 4.37Å; I236-L240 WeakPolarHBondContact O-CG 3.36Å; I236-L240 PolarHBondContact O-N 2.88Å; R237-L240 PolarHBondContact O-N 3.29Å; L240-W243 PolarHBondContact O-N 3.41Å; L240-F244 WeakPolarHBondContact O-CB 3.48Å; L240-F244 PolarHBondContact O-N 3.28Å
241I89Confident89.4Confident87 Ų8785.2 Ų85.245%0.44639%0.392SS..Hα-helixtrans-62.8-48.6176.1-68.3167.1000110.1R237 G238 W243 F244 M245R237-I241 HydrophobicContact CG-CD1 4.04Å; R237-I241 WeakPolarHBondContact O-CG1 3.38Å; R237-I241 PolarHBondContact O-N 2.91Å; G238-I241 PolarHBondContact O-N 3.42Å; I241-W243 VanDerWaalsContact C-N 3.33Å; I241-W243 PolarHBondContact O-N 2.97Å; I241-F244 PolarHBondContact O-N 2.75Å; I241-M245 HydrophobicContact CG2-CG 4.25Å; I241-M245 WeakPolarHBondContact O-CB 3.27Å; I241-M245 WeakPolarHBondContact O-CG 3.45Å; I241-M245 PolarHBondContact O-N 3.23Å
242H89.2Confident90.2Very high47 Ų4777.6 Ų77.622%0.21836%0.359CS..Hα-helixtrans-57-46.9177.7175.4-87.3000111.7N230 P233 G238 Y239 F244 M245 E246N230-H242 PolarHBondContact O-CD2 3.31Å; P233-H242 HydrophobicContact CG-CB 3.77Å; G238-H242 WeakPolarHBondContact O-CB 3.4Å; G238-H242 PolarHBondContact O-N 3.08Å; Y239-H242 PolarHBondContact O-N 3.02Å; H242-F244 PolarHBondContact O-N 3.45Å; H242-M245 PolarHBondContact O-N 2.75Å; H242-E246 WeakPolarHBondContact O-CB 3.37Å; H242-E246 PolarHBondContact O-N 3.34Å
243W89.3Confident90.8Very high143 Ų14369.8 Ų69.854%0.54233%0.325SS..Hα-helixtrans-61.6-44.4178.5-172.785.3000112.4F44 Y239 L240 I241 M245 E246 L247F44-W243 AromaticContact CE1-CZ2 3.94Å; F44-W243 HydrophobicContact CE1-CZ2 3.94Å; F44-W243 AromaticContact CE2-CD1 3.39Å; F44-W243 AromaticContact CE2-CD2 3.91Å; F44-W243 HydrophobicContact CE2-CD2 3.91Å; F44-W243 AromaticContact CE2-CE2 3.69Å; F44-W243 AromaticContact CE2-CG 3.79Å; F44-W243 HydrophobicContact CE2-CG 3.79Å; F44-W243 HydrophobicContact CE2-CZ2 4.37Å; F44-W243 AromaticContact CE2-NE1 3.31Å; F44-W243 VanDerWaalsContact CE2-NE1 3.31Å; F44-W243 WeakPolarHBondContact CE2-O 3.39Å; F44-W243 AromaticContact CZ-CD1 3.67Å; F44-W243 AromaticContact CZ-CD2 3.64Å; F44-W243 HydrophobicContact CZ-CD2 3.64Å; F44-W243 AromaticContact CZ-CE2 3.08Å; F44-W243 HydrophobicContact CZ-CE3 4.33Å; F44-W243 HydrophobicContact CZ-CG 4.03Å; F44-W243 HydrophobicContact CZ-CH2 4.07Å; F44-W243 AromaticContact CZ-CZ2 3.35Å; F44-W243 HydrophobicContact CZ-CZ2 3.35Å; F44-W243 AromaticContact CZ-NE1 3.08Å; Y239-W243 VanDerWaalsContact O-CB 3.26Å; Y239-W243 WeakPolarHBondContact O-CB 3.32Å; Y239-W243 PolarHBondContact O-N 2.78Å; L240-W243 PolarHBondContact O-N 3.41Å; I241-W243 VanDerWaalsContact C-N 3.33Å; I241-W243 PolarHBondContact O-N 2.97Å; W243-M245 VanDerWaalsContact C-N 3.35Å; W243-M245 PolarHBondContact O-N 3.11Å; W243-E246 PolarHBondContact O-N 3.07Å; W243-L247 HydrophobicContact CZ3-CD2 4.32Å; W243-L247 WeakPolarHBondContact O-CB 3.37Å; W243-L247 PolarHBondContact O-N 2.87Å
244F90.8Very high91.2Very high103 Ų10369.9 Ų69.945%0.45233%0.326SS..Hα-helixtrans-60.6-43.5175170.6-94.8000112.1L157 L240 I241 H242 L247 Y248L157-F244 HydrophobicContact CD2-CE1 3.68Å; L157-F244 HydrophobicContact CD2-CZ 4.15Å; L240-F244 WeakPolarHBondContact O-CB 3.48Å; L240-F244 PolarHBondContact O-N 3.28Å; I241-F244 PolarHBondContact O-N 2.75Å; H242-F244 PolarHBondContact O-N 3.45Å; F244-L247 PolarHBondContact O-N 2.85Å; F244-Y248 WeakPolarHBondContact O-CB 3.46Å; F244-Y248 PolarHBondContact O-N 3.11Å
245M90.7Very high91.5Very high31 Ų3163.9 Ų63.915%0.15329%0.294CS..Hα-helixtrans-69.2-40.3-179.5-69.1-59.7163.800112.3L157 M227 L229 I241 H242 W243 L247 Y248 L249L157-M245 HydrophobicContact CD1-CE 4.42Å; L157-M245 HydrophobicContact CD1-SD 3.55Å; L157-M245 VanDerWaalsContact CD1-SD 3.55Å; L157-M245 HydrophobicContact CD2-CE 4.17Å; L157-M245 HydrophobicContact CD2-SD 3.98Å; L157-M245 HydrophobicContact CG-SD 4.4Å; M227-M245 HydrophobicContact CE-CB 3.69Å; M227-M245 HydrophobicContact CE-CG 4.11Å; M227-M245 HydrophobicContact CE-SD 3.58Å; M227-M245 VanDerWaalsContact CE-SD 3.58Å; L229-M245 HydrophobicContact CD2-CB 3.27Å; L229-M245 HydrophobicContact CD2-CG 4.13Å; L229-M245 HydrophobicContact CG-CB 4.2Å; I241-M245 HydrophobicContact CG2-CG 4.25Å; I241-M245 WeakPolarHBondContact O-CB 3.27Å; I241-M245 WeakPolarHBondContact O-CG 3.45Å; I241-M245 PolarHBondContact O-N 3.23Å; H242-M245 PolarHBondContact O-N 2.75Å; W243-M245 VanDerWaalsContact C-N 3.35Å; W243-M245 PolarHBondContact O-N 3.11Å; M245-L247 VanDerWaalsContact C-N 3.34Å; M245-Y248 WeakPolarHBondContact O-CB 3.38Å; M245-Y248 PolarHBondContact O-N 3.46Å; M245-L249 WeakPolarHBondContact O-CB 3.33Å; M245-L249 PolarHBondContact O-N 2.89Å
246E90.1Very high91.6Very high17 Ų1761 Ų618%0.07927%0.274CS..Hα-helixtrans-62.9-39.6171.9-84.8-69.3134.500112.1S42 F44 R45 H242 W243 S250S42-E246 VanDerWaalsContact CB-OE2 3.24Å; S42-E246 WeakPolarHBondContact CB-OE2 3.44Å; S42-E246 PolarHBondContact OG-OE2 3.3Å; F44-E246 HydrophobicContact CD2-CB 4.1Å; R45-E246 IonicContact CZ-OE1 3.08Å; R45-E246 IonicContact CZ-OE2 3.75Å; R45-E246 IonicContact NE-OE1 2.86Å; R45-E246 IonicContact NE-OE2 2.84Å; R45-E246 PolarHBondContact NE-OE2 3.26Å; R45-E246 IonicContact NH2-OE1 2.67Å; R45-E246 PolarHBondContact NH2-OE1 3.35Å; R45-E246 IonicContact NH2-OE2 3.92Å; R45-E246 PolarHBondContact NH2-OE2 3.02Å; H242-E246 WeakPolarHBondContact O-CB 3.37Å; H242-E246 PolarHBondContact O-N 3.34Å; W243-E246 PolarHBondContact O-N 3.07Å; E246-S250 VanDerWaalsContact O-CB 3.23Å; E246-S250 WeakPolarHBondContact O-CB 3.3Å; E246-S250 PolarHBondContact O-N 3.17Å; E246-S250 PolarHBondContact O-OG 2.84Å
247L91.5Very high91.8Very high43 Ų4356.4 Ų56.423%0.22525%0.248CC..Hα-helixtrans-64.4-44.2174.1176.861.6000111.6F44 Y48 W243 F244 M245 S250 R251F44-L247 HydrophobicContact CD1-CD1 3.9Å; F44-L247 HydrophobicContact CD2-CB 4.27Å; F44-L247 HydrophobicContact CE1-CB 4.38Å; F44-L247 HydrophobicContact CE1-CD1 3.8Å; F44-L247 HydrophobicContact CE2-CB 3.91Å; F44-L247 HydrophobicContact CG-CD1 4.38Å; F44-L247 HydrophobicContact CZ-CB 3.87Å; F44-L247 HydrophobicContact CZ-CD1 4.14Å; F44-L247 HydrophobicContact CZ-CD2 4.49Å; F44-L247 HydrophobicContact CZ-CG 4.39Å; Y48-L247 HydrophobicContact CE2-CD1 3.58Å; W243-L247 HydrophobicContact CZ3-CD2 4.32Å; W243-L247 WeakPolarHBondContact O-CB 3.37Å; W243-L247 PolarHBondContact O-N 2.87Å; F244-L247 PolarHBondContact O-N 2.85Å; M245-L247 VanDerWaalsContact C-N 3.34Å; L247-S250 PolarHBondContact O-N 3.44Å; L247-R251 WeakPolarHBondContact O-CB 3.48Å; L247-R251 PolarHBondContact O-N 2.97Å
248Y93.4Very high91.8Very high35 Ų3552.2 Ų52.214%0.13724%0.235CC..Hα-helixtrans-57.4-54176.1174.2-93.6000111.1S155 P156 L157 D215 M227 F244 M245 S250 R251 L252S155-Y248 PolarHBondContact OG-OH 2.99Å; P156-Y248 HydrophobicContact CB-CE2 4.11Å; P156-Y248 WeakPolarHBondContact CB-OH 3.18Å; P156-Y248 WeakPolarHBondContact CD-OH 3.33Å; P156-Y248 VanDerWaalsContact CG-OH 3.28Å; P156-Y248 WeakPolarHBondContact CG-OH 3.37Å; L157-Y248 HydrophobicContact CD1-CD1 3.49Å; L157-Y248 VanDerWaalsContact CD1-CD1 3.49Å; L157-Y248 HydrophobicContact CD1-CE1 3.56Å; L157-Y248 HydrophobicContact CD1-CG 4.02Å; L157-Y248 HydrophobicContact CD2-CD1 4.2Å; L157-Y248 HydrophobicContact CD2-CD2 3.77Å; L157-Y248 HydrophobicContact CD2-CE1 4.42Å; L157-Y248 HydrophobicContact CD2-CE2 4.02Å; L157-Y248 HydrophobicContact CD2-CG 3.86Å; L157-Y248 HydrophobicContact CG-CD1 3.86Å; L157-Y248 HydrophobicContact CG-CD2 4.06Å; L157-Y248 HydrophobicContact CG-CE1 3.69Å; L157-Y248 HydrophobicContact CG-CE2 3.91Å; L157-Y248 HydrophobicContact CG-CG 4.03Å; D215-Y248 WeakPolarHBondContact OD2-CE1 3.31Å; D215-Y248 PolarHBondContact OD2-OH 3.37Å; M227-Y248 HydrophobicContact CE-CD1 4.07Å; M227-Y248 HydrophobicContact SD-CD1 4.33Å; F244-Y248 WeakPolarHBondContact O-CB 3.46Å; F244-Y248 PolarHBondContact O-N 3.11Å; M245-Y248 WeakPolarHBondContact O-CB 3.38Å; M245-Y248 PolarHBondContact O-N 3.46Å; Y248-S250 VanDerWaalsContact C-N 3.33Å; Y248-S250 PolarHBondContact O-N 2.58Å; Y248-R251 PolarHBondContact O-N 2.75Å; Y248-L252 HydrophobicContact CE1-CD2 4.06Å; Y248-L252 WeakPolarHBondContact O-CB 3.48Å; Y248-L252 PolarHBondContact O-N 2.73Å
249L93.1Very high91.8Very high0 Ų058 Ų580%027%0.27CS..Hα-helixtrans-59.9-44.8179.6-174.177.5000111.2I220 V223 E224 M227 M245 R251 L252 F253I220-L249 HydrophobicContact CD1-CD2 4.18Å; I220-L249 HydrophobicContact CD1-CG 4.28Å; I220-L249 HydrophobicContact CG1-CD1 4.09Å; I220-L249 HydrophobicContact CG1-CD2 4.12Å; I220-L249 HydrophobicContact CG1-CG 4.21Å; V223-L249 HydrophobicContact CB-CD1 4.24Å; V223-L249 HydrophobicContact CG1-CD1 3.76Å; E224-L249 HydrophobicContact CG-CD1 4.24Å; E224-L249 HydrophobicContact CG-CD2 3.33Å; E224-L249 HydrophobicContact CG-CG 4.41Å; E224-L249 WeakPolarHBondContact OE1-CD2 3.48Å; M227-L249 HydrophobicContact SD-CD1 4.08Å; M245-L249 WeakPolarHBondContact O-CB 3.33Å; M245-L249 PolarHBondContact O-N 2.89Å; L249-R251 VanDerWaalsContact C-N 3.28Å; L249-R251 PolarHBondContact O-N 2.86Å; L249-L252 PolarHBondContact O-N 3.38Å; L249-F253 HydrophobicContact CD1-CD2 3.83Å; L249-F253 HydrophobicContact CD1-CE2 3.74Å; L249-F253 HydrophobicContact CG-CD2 4.21Å; L249-F253 PolarHBondContact O-N 3.47Å
250S92.7Very high91.9Very high0 Ų054 Ų540%027%0.265CS..Hα-helixtrans-63.5-36.6179.3-59.20000112.2F44 R45 Y48 V50 E246 L247 Y248 S254F44-S250 WeakPolarHBondContact CB-OG 3.42Å; R45-S250 WeakPolarHBondContact CG-OG 3.38Å; R45-S250 PolarHBondContact N-OG 3.05Å; Y48-S250 VanDerWaalsContact CB-O 3.24Å; Y48-S250 WeakPolarHBondContact CB-O 3.46Å; V50-S250 WeakPolarHBondContact CG2-O 3.11Å; E246-S250 VanDerWaalsContact O-CB 3.23Å; E246-S250 WeakPolarHBondContact O-CB 3.3Å; E246-S250 PolarHBondContact O-N 3.17Å; E246-S250 PolarHBondContact O-OG 2.84Å; L247-S250 PolarHBondContact O-N 3.44Å; Y248-S250 VanDerWaalsContact C-N 3.33Å; Y248-S250 PolarHBondContact O-N 2.58Å; S250-S254 WeakPolarHBondContact O-CA 3.49Å; S250-S254 WeakPolarHBondContact O-CB 3.15Å; S250-S254 PolarHBondContact O-N 2.87Å
251R94.3Very high92.2Very high123 Ų12353.2 Ų53.246%0.46426%0.261SS..Hα-helixtrans-69.3-42.2175176.9179.2168.5160.63.1112Y48 R185 L247 Y248 L249 S254Y48-R251 HydrophobicContact CE1-CB 4.41Å; R185-R251 WeakPolarHBondContact CG-O 3.36Å; R185-R251 VanDerWaalsContact NH2-NE 3.16Å; L247-R251 WeakPolarHBondContact O-CB 3.48Å; L247-R251 PolarHBondContact O-N 2.97Å; Y248-R251 PolarHBondContact O-N 2.75Å; L249-R251 VanDerWaalsContact C-N 3.28Å; L249-R251 PolarHBondContact O-N 2.86Å; R251-S254 WeakPolarHBondContact O-CB 3.23Å; R251-S254 PolarHBondContact O-N 3.5Å
252L95.5Very high92.6Very high3 Ų351.2 Ų51.22%0.01625%0.253CS..Hα-helixtrans-60.1-46.5179.3176.761.4000111.2R185 V186 D215 A216 V223 Y248 L249R185-L252 WeakPolarHBondContact CA-O 3.41Å; V186-L252 HydrophobicContact CG2-CD1 4.49Å; V186-L252 PolarHBondContact N-O 3.38Å; D215-L252 HydrophobicContact CB-CD2 3.85Å; A216-L252 HydrophobicContact CB-CD1 4.06Å; V223-L252 HydrophobicContact CG1-CD2 4.45Å; Y248-L252 HydrophobicContact CE1-CD2 4.06Å; Y248-L252 WeakPolarHBondContact O-CB 3.48Å; Y248-L252 PolarHBondContact O-N 2.73Å; L249-L252 PolarHBondContact O-N 3.38Å
253F96.2Very high93Very high4 Ų451.1 Ų51.12%0.01826%0.26CS..THydrogen-bonded Turntrans-94.112.8-179.9-71.3-83.9000114.3V50 V186 I220 V223 L249 D255 A256 W257V50-F253 HydrophobicContact CG1-CB 3.98Å; V186-F253 HydrophobicContact CG2-CD1 3.89Å; V186-F253 HydrophobicContact CG2-CE1 3.88Å; V186-F253 HydrophobicContact CG2-CG 4.49Å; V186-F253 HydrophobicContact CG2-CZ 4.45Å; I220-F253 HydrophobicContact CB-CD1 4.14Å; I220-F253 HydrophobicContact CB-CD2 4.21Å; I220-F253 HydrophobicContact CB-CE1 3.96Å; I220-F253 HydrophobicContact CB-CE2 4.04Å; I220-F253 HydrophobicContact CB-CG 4.26Å; I220-F253 HydrophobicContact CB-CZ 3.92Å; I220-F253 HydrophobicContact CD1-CB 4.2Å; I220-F253 HydrophobicContact CD1-CD2 3.97Å; I220-F253 HydrophobicContact CD1-CG 4.01Å; I220-F253 HydrophobicContact CG1-CD2 3.79Å; I220-F253 HydrophobicContact CG1-CE2 3.89Å; I220-F253 HydrophobicContact CG1-CG 4.14Å; I220-F253 HydrophobicContact CG1-CZ 4.3Å; V223-F253 HydrophobicContact CB-CE2 4.28Å; V223-F253 HydrophobicContact CG1-CE2 4.41Å; V223-F253 HydrophobicContact CG2-CE2 4.19Å; V223-F253 HydrophobicContact CG2-CZ 4Å; L249-F253 HydrophobicContact CD1-CD2 3.83Å; L249-F253 HydrophobicContact CD1-CE2 3.74Å; L249-F253 HydrophobicContact CG-CD2 4.21Å; L249-F253 PolarHBondContact O-N 3.47Å; F253-D255 PolarHBondContact O-N 2.92Å; F253-A256 HydrophobicContact CB-CB 4.47Å; F253-A256 HydrophobicContact CD1-CB 4.34Å; F253-A256 WeakPolarHBondContact O-CB 3.31Å; F253-A256 PolarHBondContact O-N 2.83Å; F253-W257 HydrophobicContact CD1-CZ2 4.13Å; F253-W257 HydrophobicContact CE1-CZ2 4.2Å
254S93.7Very high93.4Very high6 Ų647.4 Ų47.44%0.04226%0.255CS..THydrogen-bonded Turntrans-61.9123.7-178.5179.10000111.2Y48 R187 S250 R251 A256Y48-S254 WeakPolarHBondContact CD1-OG 3.29Å; Y48-S254 VanDerWaalsContact O-CA 3.3Å; Y48-S254 WeakPolarHBondContact O-CA 3.48Å; Y48-S254 PolarHBondContact O-OG 2.9Å; Y48-S254 VanDerWaalsContact O-OG 3.07Å; R187-S254 VanDerWaalsContact CD-O 3.3Å; R187-S254 WeakPolarHBondContact CD-O 3.28Å; S250-S254 WeakPolarHBondContact O-CA 3.49Å; S250-S254 WeakPolarHBondContact O-CB 3.15Å; S250-S254 PolarHBondContact O-N 2.87Å; R251-S254 WeakPolarHBondContact O-CB 3.23Å; R251-S254 PolarHBondContact O-N 3.5Å; S254-A256 PolarHBondContact O-N 2.99Å
255D92.4Very high93.7Very high33 Ų3344.9 Ų44.918%0.17625%0.246CC..THydrogen-bonded Turntrans4928.9-178.7-72.7-38.6000113.1K26 Y48 C49 R187 F253 W257 K258K26-D255 IonicContact NZ-OD1 3.04Å; K26-D255 PolarHBondContact NZ-OD1 3.49Å; Y48-D255 PolarHBondContact O-N 3.1Å; Y48-D255 VanDerWaalsContact O-N 3.11Å; C49-D255 WeakPolarHBondContact CB-OD1 3.23Å; R187-D255 IonicContact NH1-OD2 3.59Å; F253-D255 PolarHBondContact O-N 2.92Å; D255-W257 VanDerWaalsContact C-N 3.27Å; D255-W257 PolarHBondContact O-N 3.14Å; D255-K258 HydrophobicContact CB-CD 3.85Å; D255-K258 HydrophobicContact CB-CG 4.14Å; D255-K258 PolarHBondContact O-N 2.8Å; D255-K258 WeakPolarHBondContact OD1-CE 3.21Å; D255-K258 IonicContact OD1-NZ 2.73Å; D255-K258 PolarHBondContact OD1-NZ 3.02Å; D255-K258 IonicContact OD2-NZ 3.27Å; D255-K258 PolarHBondContact OD2-NZ 3.11Å
256A93.2Very high94Very high5 Ų547.8 Ų47.84%0.04127%0.267CS..THydrogen-bonded Turntrans-57.1-36-168.900000114.2V186 F253 S254V186-A256 HydrophobicContact CB-CB 3.8Å; V186-A256 HydrophobicContact CG1-CB 3.8Å; F253-A256 HydrophobicContact CB-CB 4.47Å; F253-A256 HydrophobicContact CD1-CB 4.34Å; F253-A256 WeakPolarHBondContact O-CB 3.31Å; F253-A256 PolarHBondContact O-N 2.83Å; S254-A256 PolarHBondContact O-N 2.99Å
257W94Very high94.3Very high43 Ų4349.7 Ų49.716%0.16328%0.277CS..THydrogen-bonded Turntrans-106.912.7-172.3-42.7124.1000113.4S54 N56 F57 I61 V186 F253 D255S54-W257 PolarHBondContact OG-NE1 2.8Å; N56-W257 HydrophobicContact CB-CD2 3.84Å; N56-W257 HydrophobicContact CB-CE3 3.73Å; N56-W257 HydrophobicContact CB-CH2 3.85Å; N56-W257 HydrophobicContact CB-CZ2 3.92Å; N56-W257 HydrophobicContact CB-CZ3 3.72Å; N56-W257 WeakPolarHBondContact O-CH2 3.18Å; N56-W257 WeakPolarHBondContact O-CZ2 3.41Å; F57-W257 VanDerWaalsContact CA-CH2 3.48Å; I61-W257 HydrophobicContact CD1-CE3 4.27Å; I61-W257 HydrophobicContact CD1-CZ3 3.87Å; I61-W257 HydrophobicContact CG1-CZ3 4.37Å; V186-W257 HydrophobicContact CG1-CH2 3.79Å; V186-W257 HydrophobicContact CG1-CZ3 3.86Å; F253-W257 HydrophobicContact CD1-CZ2 4.13Å; F253-W257 HydrophobicContact CE1-CZ2 4.2Å; D255-W257 VanDerWaalsContact C-N 3.27Å; D255-W257 PolarHBondContact O-N 3.14Å
258K90.3Very high94.4Very high107 Ų10753.7 Ų53.747%0.46529%0.292SS..SBendtrans-62.6138167.8-77.3-170.6177.7160.50109.1D255 A260D255-K258 HydrophobicContact CB-CD 3.85Å; D255-K258 HydrophobicContact CB-CG 4.14Å; D255-K258 PolarHBondContact O-N 2.8Å; D255-K258 WeakPolarHBondContact OD1-CE 3.21Å; D255-K258 IonicContact OD1-NZ 2.73Å; D255-K258 PolarHBondContact OD1-NZ 3.02Å; D255-K258 IonicContact OD2-NZ 3.27Å; D255-K258 PolarHBondContact OD2-NZ 3.11Å; K258-A260 PolarHBondContact O-N 3.43Å; K258-A260 VanDerWaalsContact O-N 3.14Å
259P90.4Very high94.5Very high139 Ų13955.2 Ų55.290%0.90330%0.298SS*.  trans-51.2123.2175.8-27.934.8000111.3
260A89.9Confident94.6Very high53 Ų5360.3 Ų60.344%0.43832%0.321SS..  trans-111.4139.1176.700000109.3A190 K258 V262A190-A260 HydrophobicContact CB-CB 3.92Å; K258-A260 PolarHBondContact O-N 3.43Å; K258-A260 VanDerWaalsContact O-N 3.14Å; A260-V262 PolarHBondContact O-N 3.16Å
261D96.7Very high94.8Very high96 Ų9666.1 Ų66.151%0.51335%0.346SS..  trans-70.4122.2171.6171.317.2000109.1R194 A263R194-D261 WeakPolarHBondContact CD-O 3.36Å; R194-D261 VanDerWaalsContact CZ-CG 3.44Å; R194-D261 IonicContact CZ-OD1 2.86Å; R194-D261 IonicContact CZ-OD2 2.83Å; R194-D261 PolarHBondContact NE-O 2.86Å; R194-D261 VanDerWaalsContact NH1-CB 3.35Å; R194-D261 PolarHBondContact NH1-O 2.9Å; R194-D261 IonicContact NH1-OD1 3.96Å; R194-D261 IonicContact NH1-OD2 2.69Å; R194-D261 PolarHBondContact NH1-OD2 2.91Å; R194-D261 VanDerWaalsContact NH2-CG 3.31Å; R194-D261 IonicContact NH2-OD1 2.67Å; R194-D261 IonicContact NH2-OD2 3.96Å; R194-D261 PolarHBondContact NH2-OD2 3.11Å; D261-A263 VanDerWaalsContact OD1-CB 3.23Å; D261-A263 WeakPolarHBondContact OD1-CB 3.32Å; D261-A263 PolarHBondContact OD1-N 3.19Å
262V97.7Very high94.9Very high45 Ų4560.7 Ų60.727%0.27333%0.328SS..  trans-102.3-4.8179.5-62.60000113D64 V65 A68 H69 A260D64-V262 HydrophobicContact CB-CG1 4.36Å; V65-V262 HydrophobicContact CG2-CB 4.17Å; V65-V262 HydrophobicContact CG2-CG1 3.81Å; A68-V262 HydrophobicContact CB-CB 4.07Å; A68-V262 HydrophobicContact CB-CG2 3.71Å; A68-V262 WeakPolarHBondContact CB-O 3.23Å; H69-V262 PolarHBondContact CE1-O 2.91Å; A260-V262 PolarHBondContact O-N 3.16Å
263A97.8Very high95Very high44 Ų4463.1 Ų63.136%0.36435%0.345SS..PPolyproline II helixtrans-67.3147.8-170.700000112.8R194 D261 L265R194-A263 PolarHBondContact NE-O 3.39Å; R194-A263 PolarHBondContact NH2-O 3.22Å; D261-A263 VanDerWaalsContact OD1-CB 3.23Å; D261-A263 WeakPolarHBondContact OD1-CB 3.32Å; D261-A263 PolarHBondContact OD1-N 3.19Å; A263-L265 PolarHBondContact O-N 3.5Å
264P97.6Very high95Very high66 Ų6667.8 Ų67.843%0.42937%0.374SS..PPolyproline II helixtrans-55.6136.5178-26.935.5000113.7A68 H69A68-P264 WeakPolarHBondContact O-CD 3.41Å; A68-P264 VanDerWaalsContact O-CG 3.29Å; A68-P264 WeakPolarHBondContact O-CG 3.2Å; H69-P264 WeakPolarHBondContact NE2-CA 3.48Å
265L97.6Very high95.1Very high50 Ų5070.8 Ų70.826%0.26240%0.395SS..PPolyproline II helixtrans-80.2148.4169.5-62.5174.1000110.3R194 K195 Q198 A263 I267R194-L265 HydrophobicContact CB-CD1 4.2Å; R194-L265 HydrophobicContact CB-CG 4.35Å; K195-L265 HydrophobicContact CD-CD1 4.49Å; Q198-L265 HydrophobicContact CB-CB 4.03Å; Q198-L265 HydrophobicContact CB-CD1 4.19Å; Q198-L265 HydrophobicContact CG-CB 3.97Å; A263-L265 PolarHBondContact O-N 3.5Å; L265-I267 PolarHBondContact O-N 2.91Å
266P96.5Very high95.3Very high92 Ų9271.8 Ų71.860%0.59740%0.398SS*.PPolyproline II helixtrans-63.4135-178.925-34.2000111.7Q198Q198-P266 PolarHBondContact NE2-O 2.77Å
267I95.3Very high95.5Very high56 Ų5671.9 Ų71.929%0.28740%0.398SS..PPolyproline II helixtrans-79.5140.6177.2-55.6-47.9000109.9Q198 R201 L265Q198-I267 HydrophobicContact CG-CD1 4.43Å; R201-I267 HydrophobicContact CB-CD1 3.58Å; R201-I267 HydrophobicContact CB-CG1 4.17Å; R201-I267 HydrophobicContact CB-CG2 4.28Å; R201-I267 HydrophobicContact CG-CD1 4.42Å; L265-I267 PolarHBondContact O-N 2.91Å
268K94.1Very high95.6Very high127 Ų12775.9 Ų75.955%0.55242%0.417SS*.  trans-118.5139-175.6-57.4-177.7-177.6-174.70110.4S202 D203S202-K268 CarbonylContact C-O 3.6Å; S202-K268 WeakPolarHBondContact CA-O 3.37Å; S202-K268 WeakPolarHBondContact CB-O 3.36Å; S202-K268 PolarHBondContact OG-N 3.3Å; D203-K268 PolarHBondContact N-O 2.7Å
269Y95Very high95.9Very high67 Ų6776.4 Ų76.426%0.26342%0.419SS..  trans-156.8161.1166.157.7-91.7000109.4K271 L301 D401 D404Y269-K271 HydrophobicContact CD2-CG 4.47Å; Y269-K271 HydrophobicContact CE2-CG 4.1Å; Y269-L301 HydrophobicContact CE1-CD2 4.03Å; Y269-D401 HydrophobicContact CD2-CB 3.71Å; Y269-D401 HydrophobicContact CE2-CB 4.02Å; Y269-D404 PolarHBondContact OH-OD2 3.28Å
270K95.8Very high96.3Very high108 Ų10869.8 Ų69.847%0.4738%0.376SS..  trans-85.4141.3179.8-63.2-174.5-176.1-175.70111.3Q399 A400 D401K270-Q399 WeakPolarHBondContact CB-O 2.98Å; K270-Q399 HydrophobicContact CD-CG 4.29Å; K270-A400 CarbonylContact O-C 3.54Å; K270-A400 VanDerWaalsContact O-CA 3.31Å; K270-A400 WeakPolarHBondContact O-CA 3.29Å; K270-D401 PolarHBondContact O-N 3.38Å
271K96.3Very high96.6Very high121 Ų12167.4 Ų67.453%0.52636%0.356SS..  trans-104.6154.6170.9-58.8-168.6-178.1-136.60110.4Y269 D404Y269-K271 HydrophobicContact CD2-CG 4.47Å; Y269-K271 HydrophobicContact CE2-CG 4.1Å; K271-D404 WeakPolarHBondContact CD-OD2 3.31Å; K271-D404 WeakPolarHBondContact CE-OD2 3.48Å; K271-D404 IonicContact NZ-OD2 3.36Å; K271-D404 PolarHBondContact NZ-OD2 2.84Å
272A96.7Very high96.6Very high10 Ų1067.1 Ų67.18%0.08336%0.355CS..  trans-69.814617200000110V277 L398 A400 F405 Q408A272-V277 HydrophobicContact CB-CG2 4.04Å; A272-L398 HydrophobicContact CB-CD2 4.01Å; A272-A400 HydrophobicContact CB-CB 3.98Å; A272-A400 VanDerWaalsContact N-CB 3.34Å; A272-F405 HydrophobicContact CB-CD2 3.77Å; A272-Q408 PolarHBondContact O-OE1 3.24Å
273S97.2Very high96.6Very high54 Ų5467.1 Ų67.138%0.37835%0.353SS..  trans-77.9152.6172.264.40000111.2S275 Q276 V277S273-S275 PolarHBondContact O-N 2.91Å; S273-S275 VanDerWaalsContact O-N 3.16Å; S273-Q276 WeakPolarHBondContact O-CB 3.44Å; S273-Q276 PolarHBondContact O-N 3.35Å; S273-Q276 VanDerWaalsContact OG-CD 3.32Å; S273-Q276 VanDerWaalsContact OG-CG 3.26Å; S273-Q276 WeakPolarHBondContact OG-CG 3.33Å; S273-Q276 PolarHBondContact OG-N 2.7Å; S273-Q276 PolarHBondContact OG-OE1 3.16Å; S273-V277 PolarHBondContact O-N 3.11Å
274T96.2Very high96.6Very high101 Ų10165 Ų6562%0.6234%0.336SS*.Hα-helixtrans-54-36.7176.1-46.40000112.7V277 K278T274-V277 PolarHBondContact O-N 2.83Å; T274-K278 HydrophobicContact CG2-CD 4.46Å; T274-K278 WeakPolarHBondContact O-CB 3.31Å; T274-K278 WeakPolarHBondContact O-CG 3.38Å; T274-K278 PolarHBondContact O-N 3.33Å
275S96.7Very high96.5Very high70 Ų7063.5 Ų63.549%0.4933%0.325SS..Hα-helixtrans-64.5-41.3176.2-176.90000112.2S273 K278 K279S273-S275 PolarHBondContact O-N 2.91Å; S273-S275 VanDerWaalsContact O-N 3.16Å; S275-K278 PolarHBondContact O-N 2.83Å; S275-K279 WeakPolarHBondContact O-CG 3.32Å; S275-K279 PolarHBondContact O-N 3.47Å
276Q96.6Very high96.4Very high53 Ų5370.9 Ų70.925%0.24835%0.35CS..Hα-helixtrans-66.6-41.8176.9-71.5166.4-56.200111.6S273 K279 C280 L398S273-Q276 WeakPolarHBondContact O-CB 3.44Å; S273-Q276 PolarHBondContact O-N 3.35Å; S273-Q276 VanDerWaalsContact OG-CD 3.32Å; S273-Q276 VanDerWaalsContact OG-CG 3.26Å; S273-Q276 WeakPolarHBondContact OG-CG 3.33Å; S273-Q276 PolarHBondContact OG-N 2.7Å; S273-Q276 PolarHBondContact OG-OE1 3.16Å; Q276-K279 PolarHBondContact O-N 3.43Å; Q276-C280 PolarHBondContact O-N 3.14Å; Q276-L398 HydrophobicContact CB-CD2 3.66Å; Q276-L398 HydrophobicContact CB-CG 4.41Å; Q276-L398 HydrophobicContact CG-CD2 4.41Å
277V97.4Very high96.5Very high7 Ų767.4 Ų67.44%0.04233%0.327CS..Hα-helixtrans-60.1-48.2175.5177.60000110.5A272 S273 T274 K279 C280 C281 F405 Q408A272-V277 HydrophobicContact CB-CG2 4.04Å; S273-V277 PolarHBondContact O-N 3.11Å; T274-V277 PolarHBondContact O-N 2.83Å; V277-K279 VanDerWaalsContact C-N 3.35Å; V277-K279 PolarHBondContact O-N 3.09Å; V277-C280 WeakPolarHBondContact O-CB 3.39Å; V277-C280 PolarHBondContact O-N 3.4Å; V277-C280 VanDerWaalsContact O-N 3.12Å; V277-C281 PolarHBondContact O-N 3.27Å; V277-F405 HydrophobicContact CG2-CD2 4.18Å; V277-F405 HydrophobicContact CG2-CE2 4.25Å; V277-Q408 HydrophobicContact CG1-CB 4.28Å; V277-Q408 HydrophobicContact CG2-CB 4.06Å
278K96.5Very high96.6Very high127 Ų12772.9 Ų72.955%0.55235%0.349SS*.Hα-helixtrans-59.1-41.2176.3-74.5179.9177.2-175.20113T274 S275 C280 C281 N282T274-K278 HydrophobicContact CG2-CD 4.46Å; T274-K278 WeakPolarHBondContact O-CB 3.31Å; T274-K278 WeakPolarHBondContact O-CG 3.38Å; T274-K278 PolarHBondContact O-N 3.33Å; S275-K278 PolarHBondContact O-N 2.83Å; K278-C280 VanDerWaalsContact C-N 3.34Å; K278-C280 PolarHBondContact O-N 2.99Å; K278-C281 WeakPolarHBondContact O-CB 3.37Å; K278-C281 PolarHBondContact O-N 2.98Å; K278-N282 VanDerWaalsContact O-CG 3.27Å; K278-N282 PolarHBondContact O-N 2.78Å
279K97.1Very high96.7Very high118 Ų11869.4 Ų69.451%0.51334%0.335SS..Hα-helixtrans-61.4-41.9175.2-75.2177.5-176.4-177.80111.9S275 Q276 V277 L283 L396S275-K279 WeakPolarHBondContact O-CG 3.32Å; S275-K279 PolarHBondContact O-N 3.47Å; Q276-K279 PolarHBondContact O-N 3.43Å; V277-K279 VanDerWaalsContact C-N 3.35Å; V277-K279 PolarHBondContact O-N 3.09Å; K279-L283 WeakPolarHBondContact O-CG 3.32Å; K279-L283 PolarHBondContact O-N 3.45Å; K279-L396 HydrophobicContact CB-CD2 4.16Å
280C97.1Very high96.9Very high0 Ų066.3 Ų66.30%032%0.323CS..Hα-helixtrans-64.6-47.4174.8-178.50000111.6Q276 V277 K278 N282 L283 L284 I375 F405 L409Q276-C280 PolarHBondContact O-N 3.14Å; V277-C280 WeakPolarHBondContact O-CB 3.39Å; V277-C280 PolarHBondContact O-N 3.4Å; V277-C280 VanDerWaalsContact O-N 3.12Å; K278-C280 VanDerWaalsContact C-N 3.34Å; K278-C280 PolarHBondContact O-N 2.99Å; C280-N282 VanDerWaalsContact C-N 3.28Å; C280-N282 PolarHBondContact O-N 2.99Å; C280-L283 PolarHBondContact O-N 2.93Å; C280-L283 VanDerWaalsContact O-N 3.08Å; C280-L284 PolarHBondContact O-N 3.27Å; C280-I375 HydrophobicContact CB-CD1 3.99Å; C280-I375 WeakPolarHBondContact SG-CD1 3.35Å; C280-F405 HydrophobicContact CB-CE2 4.29Å; C280-F405 HydrophobicContact CB-CZ 3.87Å; C280-L409 HydrophobicContact CB-CD1 4.15Å
281C97.3Very high97Very high3 Ų361.2 Ų61.22%0.0230%0.301CS..Hα-helixtrans-52.2-48.6176.3-170.30000110.9V277 K278 L283 L284 T285 L409V277-C281 PolarHBondContact O-N 3.27Å; K278-C281 WeakPolarHBondContact O-CB 3.37Å; K278-C281 PolarHBondContact O-N 2.98Å; C281-L283 PolarHBondContact O-N 3.01Å; C281-L284 PolarHBondContact O-N 2.97Å; C281-T285 PolarHBondContact O-N 2.83Å; C281-T285 PolarHBondContact O-OG1 3.45Å; C281-L409 HydrophobicContact CB-CD1 4.17Å
282N96.6Very high97.1Very high91 Ų9155.4 Ų55.449%0.48728%0.276SS..Hα-helixtrans-62.1-37.7178.2-70.4-14.7000113.9K278 C280 R286K278-N282 VanDerWaalsContact O-CG 3.27Å; K278-N282 PolarHBondContact O-N 2.78Å; C280-N282 VanDerWaalsContact C-N 3.28Å; C280-N282 PolarHBondContact O-N 2.99Å; N282-R286 WeakPolarHBondContact O-CD 3.11Å; N282-R286 VanDerWaalsContact O-CG 3.32Å; N282-R286 WeakPolarHBondContact O-CG 3.47Å
283L97.1Very high97.2Very high44 Ų4455 Ų5523%0.2327%0.272CS..Hα-helixtrans-67.7-41.4175.7-74.7172000111K279 C280 C281 R286 S287 L350 K373 I375K279-L283 WeakPolarHBondContact O-CG 3.32Å; K279-L283 PolarHBondContact O-N 3.45Å; C280-L283 PolarHBondContact O-N 2.93Å; C280-L283 VanDerWaalsContact O-N 3.08Å; C281-L283 PolarHBondContact O-N 3.01Å; L283-R286 PolarHBondContact O-N 3.22Å; L283-S287 PolarHBondContact O-N 3.33Å; L283-L350 HydrophobicContact CB-CD1 4.38Å; L283-K373 HydrophobicContact CD2-CG 4.33Å; L283-I375 HydrophobicContact CB-CD1 4.11Å; L283-I375 HydrophobicContact CD1-CD1 3.73Å; L283-I375 HydrophobicContact CD1-CG1 4.03Å
284L97.3Very high97.2Very high1 Ų152.5 Ų52.51%0.00526%0.255CS..Hα-helixtrans-66.8-45.8179.1-176.766.4000112.1C280 C281 R286 S287 P290 I315 V317 L350 I413 Y419C280-L284 PolarHBondContact O-N 3.27Å; C281-L284 PolarHBondContact O-N 2.97Å; L284-R286 PolarHBondContact O-N 3Å; L284-R286 VanDerWaalsContact O-N 3.08Å; L284-S287 PolarHBondContact O-N 2.95Å; L284-P290 HydrophobicContact CD1-CB 3.57Å; L284-P290 HydrophobicContact CD1-CG 4.04Å; L284-I315 HydrophobicContact CD2-CG2 4.04Å; L284-V317 HydrophobicContact CD1-CG2 3.85Å; L284-V317 HydrophobicContact CD2-CG2 4.45Å; L284-L350 HydrophobicContact CB-CD2 4.07Å; L284-L350 HydrophobicContact CD1-CD2 3.75Å; L284-I413 HydrophobicContact CD2-CD1 3.29Å; L284-I413 HydrophobicContact CD2-CG1 4.17Å; L284-Y419 HydrophobicContact CD2-CE2 4.22Å; L284-Y419 HydrophobicContact CG-CE2 4.06Å
285T96.7Very high97.2Very high34 Ų3447.9 Ų47.921%0.20923%0.227CC..Hα-helixtrans-58.8-24178.5-54.80000113.2C281 V416C281-T285 PolarHBondContact O-N 2.83Å; C281-T285 PolarHBondContact O-OG1 3.45Å; T285-V416 HydrophobicContact CG2-CG1 3.89Å
286R96Very high97Very high204 Ų20445.4 Ų45.477%0.7721%0.213SC*.THydrogen-bonded Turntrans-92.8-12.5179.5-67.6173.6-178.1-174.2-0.5114N282 L283 L284N282-R286 WeakPolarHBondContact O-CD 3.11Å; N282-R286 VanDerWaalsContact O-CG 3.32Å; N282-R286 WeakPolarHBondContact O-CG 3.47Å; L283-R286 PolarHBondContact O-N 3.22Å; L284-R286 PolarHBondContact O-N 3Å; L284-R286 VanDerWaalsContact O-N 3.08Å
287S97.2Very high96.9Very high19 Ų1943 Ų4313%0.13320%0.201CC..  trans-83.8140.4-175.5162.70000110.4L283 L284 P290 D349 L350L283-S287 PolarHBondContact O-N 3.33Å; L284-S287 PolarHBondContact O-N 2.95Å; S287-P290 WeakPolarHBondContact OG-CA 3.42Å; S287-P290 WeakPolarHBondContact OG-CB 3.38Å; S287-P290 VanDerWaalsContact OG-CD 3.24Å; S287-P290 WeakPolarHBondContact OG-CD 3.48Å; S287-P290 VanDerWaalsContact OG-N 3.15Å; S287-D349 WeakPolarHBondContact CB-OD1 3.42Å; S287-D349 PolarHBondContact OG-OD1 2.99Å; S287-L350 WeakPolarHBondContact OG-CB 3.36Å
288K96.9Very high96.8Very high172 Ų17242.7 Ų42.775%0.74820%0.199SC*.SBendtrans-101.7-22.5174.7-65.6-174.6177.1-174.70112.2D349K288-D349 PolarHBondContact N-OD2 2.85Å
289Q97.8Very high96.8Very high53 Ų5337 Ų3725%0.24818%0.175CC..SBendtrans-131.556.6-176.7-62.3175.9-13.200111.1E347 A348 D349 W425Q289-E347 PolarHBondContact OE1-O 3.49Å; Q289-A348 VanDerWaalsContact O-CA 3.32Å; Q289-A348 WeakPolarHBondContact O-CA 3.2Å; Q289-A348 WeakPolarHBondContact O-CB 3.42Å; Q289-D349 WeakPolarHBondContact CA-OD1 3.34Å; Q289-D349 PolarHBondContact N-OD1 3.08Å; Q289-D349 PolarHBondContact N-OD2 2.9Å; Q289-D349 PolarHBondContact O-N 2.92Å; Q289-D349 VanDerWaalsContact O-OD1 3.14Å; Q289-W425 HydrophobicContact CB-CD2 4.08Å; Q289-W425 HydrophobicContact CB-CG 4.23Å; Q289-W425 HydrophobicContact CB-CZ2 4.4Å; Q289-W425 HydrophobicContact CG-CD2 4.15Å; Q289-W425 HydrophobicContact CG-CE3 4.38Å; Q289-W425 HydrophobicContact CG-CG 4.3Å
290P98.3Very high96.6Very high3 Ų332.9 Ų32.92%0.01916%0.159CC..EExtended strand (participates in β ladder)trans-73.2151.4-179.431.7-35.4000111.3L284 S287 V317 L350 P422 W425L284-P290 HydrophobicContact CD1-CB 3.57Å; L284-P290 HydrophobicContact CD1-CG 4.04Å; S287-P290 WeakPolarHBondContact OG-CA 3.42Å; S287-P290 WeakPolarHBondContact OG-CB 3.38Å; S287-P290 VanDerWaalsContact OG-CD 3.24Å; S287-P290 WeakPolarHBondContact OG-CD 3.48Å; S287-P290 VanDerWaalsContact OG-N 3.15Å; P290-V317 HydrophobicContact CB-CG1 3.79Å; P290-V317 HydrophobicContact CB-CG2 4.14Å; P290-V317 HydrophobicContact CG-CG1 3.92Å; P290-V317 HydrophobicContact CG-CG2 3.85Å; P290-V317 WeakPolarHBondContact O-CG1 3.3Å; P290-L350 CarbonylContact C-O 3.56Å; P290-L350 WeakPolarHBondContact CA-O 3.41Å; P290-L350 HydrophobicContact CB-CB 4.42Å; P290-L350 HydrophobicContact CB-CD2 4.33Å; P290-P422 HydrophobicContact CG-CB 3.91Å; P290-P422 HydrophobicContact CG-CG 3.75Å; P290-W425 VanDerWaalsContact O-CD1 3.24Å; P290-W425 PolarHBondContact O-NE1 3.5Å
291L98.3Very high96.5Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-142.9139.4175.4-170.270.3000110.5I293 P318 Y320 A344 L345 A348 L350 V351 I352 L429L291-I293 HydrophobicContact CD2-CD1 4.25Å; L291-P318 HydrophobicContact CD1-CB 3.98Å; L291-P318 WeakPolarHBondContact CD1-O 3.34Å; L291-Y320 HydrophobicContact CD1-CD2 3.8Å; L291-Y320 HydrophobicContact CD1-CE2 3.72Å; L291-Y320 HydrophobicContact CD2-CD2 3.97Å; L291-Y320 HydrophobicContact CD2-CE2 3.94Å; L291-Y320 HydrophobicContact CG-CD2 4.17Å; L291-Y320 HydrophobicContact CG-CE2 4.35Å; L291-A344 HydrophobicContact CD2-CB 4.15Å; L291-L345 HydrophobicContact CD2-CD2 3.61Å; L291-L345 HydrophobicContact CD2-CG 4Å; L291-A348 HydrophobicContact CB-CB 4.12Å; L291-L350 PolarHBondContact N-O 2.95Å; L291-V351 CarbonylContact O-C 3.57Å; L291-V351 WeakPolarHBondContact O-CA 3.25Å; L291-I352 PolarHBondContact O-N 3.42Å; L291-L429 HydrophobicContact CD1-CD1 4.04Å
292I98.3Very high96.2Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-111.5129.3174-50.9-177.9000109.7I294 L312 I315 V317 P318 C319 Y320 I352 A354I292-I294 HydrophobicContact CG2-CD1 4.48Å; I292-I294 HydrophobicContact CG2-CG1 3.75Å; I292-L312 HydrophobicContact CD1-CD2 4.13Å; I292-I315 HydrophobicContact CD1-CG2 4.11Å; I292-V317 HydrophobicContact CD1-CB 3.99Å; I292-V317 HydrophobicContact CD1-CG1 4.19Å; I292-V317 HydrophobicContact CG1-CB 4.09Å; I292-V317 HydrophobicContact CG1-CG1 3.71Å; I292-P318 PolarHBondContact N-O 2.92Å; I292-C319 CarbonylContact O-C 3.57Å; I292-C319 VanDerWaalsContact O-CA 3.28Å; I292-C319 WeakPolarHBondContact O-CA 3.25Å; I292-Y320 PolarHBondContact O-N 3.3Å; I292-I352 CarbonylContact C-O 3.57Å; I292-I352 WeakPolarHBondContact CA-O 3.38Å; I292-I352 HydrophobicContact CD1-CD1 4.45Å; I292-I352 HydrophobicContact CG1-CB 4.16Å; I292-I352 HydrophobicContact CG1-CD1 4.29Å; I292-I352 HydrophobicContact CG2-CB 4.29Å; I292-I352 HydrophobicContact CG2-CG2 4.45Å; I292-A354 HydrophobicContact CG2-CB 4.16Å
293I98Very high96.1Very high0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-103.2112.7166.8-53.7-58.4000107.9L291 Y320 R341 L345 V351 I352 L353 A354 A356L291-I293 HydrophobicContact CD2-CD1 4.25Å; I293-Y320 WeakPolarHBondContact CA-O 3.14Å; I293-Y320 HydrophobicContact CD1-CD2 3.9Å; I293-Y320 HydrophobicContact CD1-CG 4.17Å; I293-R341 HydrophobicContact CD1-CG 4.41Å; I293-L345 HydrophobicContact CD1-CD2 4.06Å; I293-L345 HydrophobicContact CG1-CD2 4.15Å; I293-V351 HydrophobicContact CG1-CG1 4.27Å; I293-I352 PolarHBondContact N-O 2.8Å; I293-L353 HydrophobicContact CB-CD2 3.89Å; I293-L353 HydrophobicContact CG1-CD2 3.89Å; I293-A354 PolarHBondContact O-N 3.09Å; I293-A356 HydrophobicContact CG2-CB 3.88Å
294I97.5Very high96Very high3 Ų340.4 Ų40.42%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-96.8115.5-179.9-51.4-179.7000108.7I292 A298 L312 C319 Y320 N322 A325 L328 L329I292-I294 HydrophobicContact CG2-CD1 4.48Å; I292-I294 HydrophobicContact CG2-CG1 3.75Å; I294-A298 HydrophobicContact CG2-CB 3.54Å; I294-L312 HydrophobicContact CD1-CD1 3.5Å; I294-L312 VanDerWaalsContact CD1-CD1 3.5Å; I294-L312 HydrophobicContact CD1-CD2 3.89Å; I294-L312 HydrophobicContact CD1-CG 4.37Å; I294-C319 HydrophobicContact CD1-CB 4.13Å; I294-Y320 PolarHBondContact N-O 2.89Å; I294-N322 PolarHBondContact O-N 3.44Å; I294-A325 HydrophobicContact CB-CB 4.36Å; I294-A325 HydrophobicContact CG2-CB 3.73Å; I294-L328 HydrophobicContact CD1-CD2 3.82Å; I294-L328 HydrophobicContact CG2-CD2 3.85Å; I294-L329 HydrophobicContact CD1-CD1 4.28Å
295G95.5Very high95.9Very high4 Ų440.9 Ų40.94%0.04120%0.198CC..  trans-98.8172.2175.500000112.7Q297 A298 A354G295-Q297 PolarHBondContact O-N 3.47Å; G295-Q297 VanDerWaalsContact O-N 3.07Å; G295-A298 WeakPolarHBondContact O-CB 3.44Å; G295-A298 PolarHBondContact O-N 2.9Å; G295-A354 PolarHBondContact N-O 3.16Å
296G93Very high95.9Very high18 Ų1845.3 Ų45.319%0.18622%0.216CC..G310 helixtrans-56.9-26.1-176.600000115A298 M299G296-A298 PolarHBondContact O-N 3.2Å; G296-M299 WeakPolarHBondContact O-CB 3.48Å; G296-M299 PolarHBondContact O-N 3.34Å
297Q94.3Very high96Very high1 Ų139.1 Ų39.11%0.00520%0.199CC..G310 helixtrans-64.2-23.3177-75.6-172.821.700114.2Q144 G295 M299 L300 N378Q144-Q297 VanDerWaalsContact OE1-CD 3.29Å; G295-Q297 PolarHBondContact O-N 3.47Å; G295-Q297 VanDerWaalsContact O-N 3.07Å; Q297-M299 PolarHBondContact O-N 3.36Å; Q297-L300 HydrophobicContact CB-CD1 4.03Å; Q297-L300 HydrophobicContact CG-CD1 3.9Å; Q297-L300 WeakPolarHBondContact O-CG 3.48Å; Q297-L300 PolarHBondContact O-N 2.87Å; Q297-N378 VanDerWaalsContact CD-OD1 3.25Å; Q297-N378 VanDerWaalsContact NE2-CG 3.35Å; Q297-N378 PolarHBondContact NE2-ND2 2.99Å; Q297-N378 PolarHBondContact NE2-OD1 3.24Å; Q297-N378 VanDerWaalsContact OE1-CG 3.26Å; Q297-N378 PolarHBondContact OE1-OD1 3.35Å
298A96Very high96Very high1 Ų138.2 Ų38.21%0.00819%0.192CC..G310 helixtrans-66.7-15.4173.900000112.2I294 G295 G296 L308 A402 C403I294-A298 HydrophobicContact CG2-CB 3.54Å; G295-A298 WeakPolarHBondContact O-CB 3.44Å; G295-A298 PolarHBondContact O-N 2.9Å; G296-A298 PolarHBondContact O-N 3.2Å; A298-L308 HydrophobicContact CB-CD2 4.08Å; A298-L308 WeakPolarHBondContact O-CD2 3.22Å; A298-A402 HydrophobicContact CB-CB 4.2Å; A298-C403 WeakPolarHBondContact O-CB 3.47Å
299M95.5Very high96Very high9 Ų930.4 Ų30.44%0.04416%0.159CC..G310 helixtrans-96.11.6-178.4-51.9-54.1-67.400113.6G296 Q297 L301 I305 M324 A325 L328 P493 L494G296-M299 WeakPolarHBondContact O-CB 3.48Å; G296-M299 PolarHBondContact O-N 3.34Å; Q297-M299 PolarHBondContact O-N 3.36Å; M299-L301 PolarHBondContact O-N 3.16Å; M299-L301 VanDerWaalsContact O-N 3.14Å; M299-I305 HydrophobicContact CE-CD1 3.65Å; M299-I305 HydrophobicContact CE-CG1 3.96Å; M299-I305 HydrophobicContact CE-CG2 4.32Å; M299-M324 HydrophobicContact CB-CB 4.33Å; M299-M324 HydrophobicContact CG-CB 4.14Å; M299-A325 HydrophobicContact CG-CB 3.89Å; M299-A325 HydrophobicContact SD-CB 4.02Å; M299-L328 HydrophobicContact CE-CB 4.47Å; M299-L328 HydrophobicContact CE-CD1 3.96Å; M299-L328 HydrophobicContact SD-CB 4.21Å; M299-L328 HydrophobicContact SD-CD1 3.86Å; M299-L328 HydrophobicContact SD-CD2 4.16Å; M299-L328 HydrophobicContact SD-CG 4.3Å; M299-P493 HydrophobicContact CE-CB 4.2Å; M299-L494 HydrophobicContact CB-CD2 4.18Å; M299-L494 HydrophobicContact CE-CD2 3.66Å; M299-L494 HydrophobicContact CE-CG 4.27Å
300L94.3Very high95.9Very high31 Ų3130.9 Ų30.916%0.16217%0.168CC..SBendtrans-74.5-0.8-173.5-64.1177.8000114.8P205 Q297 M324P205-L300 HydrophobicContact CG-CD1 4.03Å; P205-L300 HydrophobicContact CG-CD2 4.01Å; P205-L300 HydrophobicContact CG-CG 4.49Å; Q297-L300 HydrophobicContact CB-CD1 4.03Å; Q297-L300 HydrophobicContact CG-CD1 3.9Å; Q297-L300 WeakPolarHBondContact O-CG 3.48Å; Q297-L300 PolarHBondContact O-N 2.87Å; L300-M324 HydrophobicContact CD2-CE 4.34Å
301L94.1Very high95.9Very high25 Ų2531.1 Ų31.113%0.13117%0.17CC..  trans-121.578.8175.2-61.6-178.2000108.2Y269 M299 D303 R304 D401 C403Y269-L301 HydrophobicContact CE1-CD2 4.03Å; M299-L301 PolarHBondContact O-N 3.16Å; M299-L301 VanDerWaalsContact O-N 3.14Å; L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 2.88Å; L301-R304 HydrophobicContact CB-CB 3.98Å; L301-R304 HydrophobicContact CB-CG 4.03Å; L301-R304 HydrophobicContact CD1-CG 4.43Å; L301-R304 PolarHBondContact O-N 2.72Å; L301-D401 WeakPolarHBondContact CD1-OD1 3.46Å; L301-C403 HydrophobicContact CD1-CB 4.21Å
302P91.9Very high95.8Very high44 Ų4431.1 Ų31.129%0.28617%0.17SC..G310 helixtrans-56.2-40.3-17319.8-31.9000112.9R304 I305 L494P302-R304 PolarHBondContact O-N 2.87Å; P302-I305 HydrophobicContact CB-CD1 4.41Å; P302-I305 WeakPolarHBondContact O-CB 3.5Å; P302-I305 WeakPolarHBondContact O-CG1 3.38Å; P302-I305 PolarHBondContact O-N 3.4Å; P302-L494 HydrophobicContact CB-CD1 4.48Å
303D94.2Very high95.7Very high156 Ų15636.2 Ų36.283%0.83419%0.192SC*.G310 helixtrans-65.3-12178.4-53.4-31.7000114L301L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 2.88Å
304R95.9Very high95.5Very high71 Ų7139 Ų3927%0.26821%0.209SC..G310 helixtrans-111.46-177.1-55.4-65.4-58.2-63.90.9112.8L301 P302 Q306 D307 L308 D404 I407L301-R304 HydrophobicContact CB-CB 3.98Å; L301-R304 HydrophobicContact CB-CG 4.03Å; L301-R304 HydrophobicContact CD1-CG 4.43Å; L301-R304 PolarHBondContact O-N 2.72Å; P302-R304 PolarHBondContact O-N 2.87Å; R304-Q306 VanDerWaalsContact C-N 3.32Å; R304-Q306 PolarHBondContact O-N 3.42Å; R304-D307 IonicContact CZ-OD2 2.88Å; R304-D307 IonicContact NE-OD2 3.54Å; R304-D307 PolarHBondContact NE-OD2 2.68Å; R304-D307 IonicContact NH2-OD2 2.88Å; R304-D307 PolarHBondContact NH2-OD2 2.98Å; R304-D307 WeakPolarHBondContact O-CB 3.35Å; R304-D307 PolarHBondContact O-N 2.96Å; R304-L308 PolarHBondContact O-N 3.17Å; R304-D404 IonicContact CZ-OD1 3.5Å; R304-D404 IonicContact NH1-OD1 3.8Å; R304-D404 PolarHBondContact NH1-OD1 2.86Å; R304-I407 VanDerWaalsContact NH2-CD1 3.32Å
305I95.2Very high95.5Very high10 Ų1038.9 Ų38.95%0.05121%0.209CC..Hα-helixtrans-60.8-40.4-177.3-74.4173.3000111.6M299 P302 L308 V309 L328 P493 L494M299-I305 HydrophobicContact CE-CD1 3.65Å; M299-I305 HydrophobicContact CE-CG1 3.96Å; M299-I305 HydrophobicContact CE-CG2 4.32Å; P302-I305 HydrophobicContact CB-CD1 4.41Å; P302-I305 WeakPolarHBondContact O-CB 3.5Å; P302-I305 WeakPolarHBondContact O-CG1 3.38Å; P302-I305 PolarHBondContact O-N 3.4Å; I305-L308 WeakPolarHBondContact O-CB 3.39Å; I305-L308 PolarHBondContact O-N 2.86Å; I305-V309 WeakPolarHBondContact O-CG2 3.39Å; I305-V309 PolarHBondContact O-N 2.85Å; I305-L328 HydrophobicContact CG2-CD1 4.06Å; I305-P493 HydrophobicContact CG2-CB 3.49Å; I305-P493 VanDerWaalsContact CG2-CB 3.49Å; I305-P493 HydrophobicContact CG2-CG 3.85Å; I305-L494 HydrophobicContact CD1-CD1 3.55Å; I305-L494 HydrophobicContact CD1-CD2 3.97Å; I305-L494 HydrophobicContact CD1-CG 3.63Å
306Q95.6Very high95.5Very high127 Ų12740 Ų4059%0.59321%0.214SC*.Hα-helixtrans-69.2-35.3178.6-64-57-30.900112.6R304 L308 V309 S310R304-Q306 VanDerWaalsContact C-N 3.32Å; R304-Q306 PolarHBondContact O-N 3.42Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; Q306-V309 PolarHBondContact O-N 3.47Å; Q306-S310 WeakPolarHBondContact O-CB 3.29Å; Q306-S310 PolarHBondContact O-N 3.44Å; Q306-S310 PolarHBondContact O-OG 3.37Å
307D97.3Very high95.7Very high74 Ų7439.1 Ų39.140%0.39621%0.205SC..Hα-helixtrans-64.4-41.8172.1-64.7-9.5000110.8R304 S310 A311 I407R304-D307 IonicContact CZ-OD2 2.88Å; R304-D307 IonicContact NE-OD2 3.54Å; R304-D307 PolarHBondContact NE-OD2 2.68Å; R304-D307 IonicContact NH2-OD2 2.88Å; R304-D307 PolarHBondContact NH2-OD2 2.98Å; R304-D307 WeakPolarHBondContact O-CB 3.35Å; R304-D307 PolarHBondContact O-N 2.96Å; D307-S310 PolarHBondContact O-N 2.83Å; D307-A311 VanDerWaalsContact O-CB 3.28Å; D307-A311 WeakPolarHBondContact O-CB 3.41Å; D307-A311 PolarHBondContact O-N 3.39Å; D307-I407 HydrophobicContact CB-CD1 3.62Å; D307-I407 HydrophobicContact CB-CG1 4.26Å
308L97.6Very high95.9Very high1 Ų139.1 Ų39.11%0.00521%0.205CC..Hα-helixtrans-60.5-45.6175.6176.359.6000111.4A298 R304 I305 Q306 S310 A311 L312 L328 C403 I406A298-L308 HydrophobicContact CB-CD2 4.08Å; A298-L308 WeakPolarHBondContact O-CD2 3.22Å; R304-L308 PolarHBondContact O-N 3.17Å; I305-L308 WeakPolarHBondContact O-CB 3.39Å; I305-L308 PolarHBondContact O-N 2.86Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; L308-S310 VanDerWaalsContact C-N 3.35Å; L308-S310 PolarHBondContact O-N 2.98Å; L308-A311 PolarHBondContact O-N 3.35Å; L308-L312 HydrophobicContact CD1-CD1 4.09Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.02Å; L308-L312 PolarHBondContact O-N 2.88Å; L308-L328 HydrophobicContact CD2-CD1 4Å; L308-L328 HydrophobicContact CD2-CD2 3.77Å; L308-L328 HydrophobicContact CG-CD1 4.35Å; L308-L328 HydrophobicContact CG-CD2 4.18Å; L308-C403 HydrophobicContact CD2-CB 4.41Å; L308-I406 HydrophobicContact CD1-CB 3.69Å; L308-I406 HydrophobicContact CD1-CG1 4.28Å; L308-I406 HydrophobicContact CD1-CG2 3.52Å
309V96.6Very high96Very high7 Ų739 Ų394%0.04220%0.204CC..Hα-helixtrans-59.8-46.3175.6171.80000110.9I305 Q306 A311 L312 K313 L328 L329 V332I305-V309 WeakPolarHBondContact O-CG2 3.39Å; I305-V309 PolarHBondContact O-N 2.85Å; Q306-V309 PolarHBondContact O-N 3.47Å; V309-A311 PolarHBondContact O-N 2.9Å; V309-L312 PolarHBondContact O-N 3.33Å; V309-K313 WeakPolarHBondContact O-CG 3.38Å; V309-K313 PolarHBondContact O-N 3.2Å; V309-K313 VanDerWaalsContact O-N 3.1Å; V309-L328 HydrophobicContact CG2-CD1 3.62Å; V309-L328 HydrophobicContact CG2-CG 4.24Å; V309-L328 WeakPolarHBondContact CG2-O 3.47Å; V309-L329 HydrophobicContact CG1-CD2 4.44Å; V309-V332 HydrophobicContact CG1-CG2 3.76Å
310S96.3Very high96Very high64 Ų6438.9 Ų38.945%0.44820%0.203SC..Hα-helixtrans-61.7-43.2177.7-60.70000112.2Q306 D307 L308 L312 K313 V314Q306-S310 WeakPolarHBondContact O-CB 3.29Å; Q306-S310 PolarHBondContact O-N 3.44Å; Q306-S310 PolarHBondContact O-OG 3.37Å; D307-S310 PolarHBondContact O-N 2.83Å; L308-S310 VanDerWaalsContact C-N 3.35Å; L308-S310 PolarHBondContact O-N 2.98Å; S310-L312 PolarHBondContact O-N 3.02Å; S310-K313 WeakPolarHBondContact O-CB 3.18Å; S310-K313 PolarHBondContact O-N 2.87Å; S310-V314 WeakPolarHBondContact O-CG2 3.44Å; S310-V314 PolarHBondContact O-N 2.83Å; S310-V314 VanDerWaalsContact O-N 3.07Å
311A97.6Very high96.1Very high7 Ų738 Ų386%0.05820%0.199CC..Hα-helixtrans-61.4-42.1176.300000112.2D307 L308 V309 K313 V314 I315 I406 I407 A410D307-A311 VanDerWaalsContact O-CB 3.28Å; D307-A311 WeakPolarHBondContact O-CB 3.41Å; D307-A311 PolarHBondContact O-N 3.39Å; L308-A311 PolarHBondContact O-N 3.35Å; V309-A311 PolarHBondContact O-N 2.9Å; A311-K313 VanDerWaalsContact C-N 3.34Å; A311-K313 PolarHBondContact O-N 3.49Å; A311-V314 PolarHBondContact O-N 3.49Å; A311-I315 VanDerWaalsContact O-CG1 3.29Å; A311-I315 WeakPolarHBondContact O-CG1 3.09Å; A311-I315 PolarHBondContact O-N 3.42Å; A311-I406 HydrophobicContact CB-CG2 4.09Å; A311-I407 HydrophobicContact CB-CB 4.42Å; A311-I407 HydrophobicContact CB-CG1 4Å; A311-A410 HydrophobicContact CB-CB 3.6Å; A311-A410 WeakPolarHBondContact O-CB 3.3Å
312L97.3Very high95.9Very high1 Ų138.5 Ų38.51%0.00520%0.202CC..Hα-helixtrans-64.8-36.3176.3-70.5163.9000112.3I292 I294 L308 V309 S310 I315 N316 L328 L329 L335 I406I292-L312 HydrophobicContact CD1-CD2 4.13Å; I294-L312 HydrophobicContact CD1-CD1 3.5Å; I294-L312 VanDerWaalsContact CD1-CD1 3.5Å; I294-L312 HydrophobicContact CD1-CD2 3.89Å; I294-L312 HydrophobicContact CD1-CG 4.37Å; L308-L312 HydrophobicContact CD1-CD1 4.09Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.02Å; L308-L312 PolarHBondContact O-N 2.88Å; V309-L312 PolarHBondContact O-N 3.33Å; S310-L312 PolarHBondContact O-N 3.02Å; L312-I315 PolarHBondContact O-N 3.32Å; L312-N316 PolarHBondContact O-N 3.09Å; L312-L328 HydrophobicContact CD1-CD2 3.78Å; L312-L328 HydrophobicContact CD1-CG 4.47Å; L312-L329 HydrophobicContact CB-CD2 4.28Å; L312-L329 HydrophobicContact CD1-CD1 4.25Å; L312-L329 HydrophobicContact CD1-CD2 3.95Å; L312-L329 HydrophobicContact CD1-CG 4.32Å; L312-L335 HydrophobicContact CB-CD1 4.42Å; L312-I406 HydrophobicContact CD2-CG2 3.81Å; L312-I406 HydrophobicContact CG-CG2 3.97Å
313K95.8Very high95.8Very high106 Ų10637.1 Ų37.146%0.46120%0.196SC..Hα-helixtrans-63-40.8172.3-70.3174.6178.2178.70112.7V309 S310 A311 N316 V332 L335V309-K313 WeakPolarHBondContact O-CG 3.38Å; V309-K313 PolarHBondContact O-N 3.2Å; V309-K313 VanDerWaalsContact O-N 3.1Å; S310-K313 WeakPolarHBondContact O-CB 3.18Å; S310-K313 PolarHBondContact O-N 2.87Å; A311-K313 VanDerWaalsContact C-N 3.34Å; A311-K313 PolarHBondContact O-N 3.49Å; K313-N316 PolarHBondContact O-N 3.25Å; K313-V332 HydrophobicContact CD-CG1 4.12Å; K313-V332 HydrophobicContact CG-CG1 3.66Å; K313-L335 HydrophobicContact CG-CD1 4.08Å
314V95.2Very high95.7Very high59 Ų5930.7 Ų30.736%0.35816%0.161SC..Hα-helixtrans-64.5-46175.61690000110.9S310 A311 N316 A410 S414S310-V314 WeakPolarHBondContact O-CG2 3.44Å; S310-V314 PolarHBondContact O-N 2.83Å; S310-V314 VanDerWaalsContact O-N 3.07Å; A311-V314 PolarHBondContact O-N 3.49Å; V314-N316 VanDerWaalsContact C-N 3.33Å; V314-N316 PolarHBondContact O-N 2.99Å; V314-A410 HydrophobicContact CB-CB 4.13Å; V314-A410 HydrophobicContact CG1-CB 4.03Å; V314-S414 WeakPolarHBondContact CG1-OG 3.36Å
315I96.6Very high95.7Very high0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-63.3-39.8177.9-67.7168.6000110.9L284 I292 A311 L312 V317 I406 L409 A410 I413 Y419L284-I315 HydrophobicContact CD2-CG2 4.04Å; I292-I315 HydrophobicContact CD1-CG2 4.11Å; A311-I315 VanDerWaalsContact O-CG1 3.29Å; A311-I315 WeakPolarHBondContact O-CG1 3.09Å; A311-I315 PolarHBondContact O-N 3.42Å; L312-I315 PolarHBondContact O-N 3.32Å; I315-V317 HydrophobicContact CG2-CB 4.01Å; I315-V317 HydrophobicContact CG2-CG2 3.57Å; I315-V317 PolarHBondContact O-N 3.16Å; I315-I406 HydrophobicContact CD1-CG2 3.85Å; I315-L409 HydrophobicContact CD1-CB 4.38Å; I315-L409 HydrophobicContact CD1-CD2 4.16Å; I315-L409 HydrophobicContact CD1-CG 4.16Å; I315-A410 HydrophobicContact CD1-CB 4.11Å; I315-A410 HydrophobicContact CG1-CB 3.93Å; I315-I413 HydrophobicContact CD1-CD1 4.49Å; I315-I413 HydrophobicContact CG1-CD1 3.79Å; I315-I413 HydrophobicContact CG2-CD1 4.42Å; I315-Y419 WeakPolarHBondContact O-CE1 3.27Å; I315-Y419 PolarHBondContact O-OH 2.81Å
316N95.8Very high95.6Very high27 Ų2729.1 Ų29.114%0.14416%0.155CC..THydrogen-bonded Turntrans56.442.7175.9-159.558.9000114.9L312 K313 V314 L335 K421 P422L312-N316 PolarHBondContact O-N 3.09Å; K313-N316 PolarHBondContact O-N 3.25Å; V314-N316 VanDerWaalsContact C-N 3.33Å; V314-N316 PolarHBondContact O-N 2.99Å; N316-L335 WeakPolarHBondContact OD1-CD2 3.46Å; N316-K421 HydrophobicContact CB-CD 3.96Å; N316-K421 HydrophobicContact CB-CG 4.01Å; N316-P422 WeakPolarHBondContact O-CD 3.28Å
317V97.1Very high95.5Very high1 Ų123.1 Ų23.11%0.00613%0.127CC..  trans-108.2140175.7173.70000109.5L284 P290 I292 I315 C319 P422L284-V317 HydrophobicContact CD1-CG2 3.85Å; L284-V317 HydrophobicContact CD2-CG2 4.45Å; P290-V317 HydrophobicContact CB-CG1 3.79Å; P290-V317 HydrophobicContact CB-CG2 4.14Å; P290-V317 HydrophobicContact CG-CG1 3.92Å; P290-V317 HydrophobicContact CG-CG2 3.85Å; P290-V317 WeakPolarHBondContact O-CG1 3.3Å; I292-V317 HydrophobicContact CD1-CB 3.99Å; I292-V317 HydrophobicContact CD1-CG1 4.19Å; I292-V317 HydrophobicContact CG1-CB 4.09Å; I292-V317 HydrophobicContact CG1-CG1 3.71Å; I315-V317 HydrophobicContact CG2-CB 4.01Å; I315-V317 HydrophobicContact CG2-CG2 3.57Å; I315-V317 PolarHBondContact O-N 3.16Å; V317-C319 PolarHBondContact O-N 3.3Å; V317-C319 PolarHBondContact O-SG 3.09Å; V317-P422 HydrophobicContact CG2-CG 4.35Å
318P97.4Very high95.5Very high0 Ų019.7 Ų19.70%011%0.109CC..  trans-55.4137.3174.2-27.236.1000112.8L291 I292 L335 I337 S426 L429L291-P318 HydrophobicContact CD1-CB 3.98Å; L291-P318 WeakPolarHBondContact CD1-O 3.34Å; I292-P318 PolarHBondContact N-O 2.92Å; P318-L335 CarbonylContact C-O 3.58Å; P318-L335 WeakPolarHBondContact CA-O 3.25Å; P318-I337 HydrophobicContact CB-CG1 4.11Å; P318-S426 WeakPolarHBondContact CD-OG 3.49Å; P318-S426 VanDerWaalsContact CG-OG 3.26Å; P318-S426 WeakPolarHBondContact CG-OG 3.38Å; P318-L429 HydrophobicContact CB-CD1 3.67Å; P318-L429 HydrophobicContact CG-CD1 3.97Å
319C98Very high95.4Very high0 Ų019.7 Ų19.70%011%0.109CC..EExtended strand (participates in β ladder)trans-125136.7-172.9-67.50000111.6I292 I294 V317 L329 L335 Q336 I337I292-C319 CarbonylContact O-C 3.57Å; I292-C319 VanDerWaalsContact O-CA 3.28Å; I292-C319 WeakPolarHBondContact O-CA 3.25Å; I294-C319 HydrophobicContact CD1-CB 4.13Å; V317-C319 PolarHBondContact O-N 3.3Å; V317-C319 PolarHBondContact O-SG 3.09Å; C319-L329 HydrophobicContact CB-CD1 3.55Å; C319-L335 PolarHBondContact N-O 3.44Å; C319-Q336 WeakPolarHBondContact O-CA 3.41Å; C319-I337 PolarHBondContact O-N 2.96Å
320Y96.9Very high95.1Very high6 Ų620.8 Ų20.82%0.02412%0.118CC..EExtended strand (participates in β ladder)trans-108.5128.7160.4-69.7-87.8000109.6L291 I292 I293 I294 I337 H339 K340 R341 A344L291-Y320 HydrophobicContact CD1-CD2 3.8Å; L291-Y320 HydrophobicContact CD1-CE2 3.72Å; L291-Y320 HydrophobicContact CD2-CD2 3.97Å; L291-Y320 HydrophobicContact CD2-CE2 3.94Å; L291-Y320 HydrophobicContact CG-CD2 4.17Å; L291-Y320 HydrophobicContact CG-CE2 4.35Å; I292-Y320 PolarHBondContact O-N 3.3Å; I293-Y320 WeakPolarHBondContact CA-O 3.14Å; I293-Y320 HydrophobicContact CD1-CD2 3.9Å; I293-Y320 HydrophobicContact CD1-CG 4.17Å; I294-Y320 PolarHBondContact N-O 2.89Å; Y320-I337 HydrophobicContact CD1-CB 4.24Å; Y320-I337 WeakPolarHBondContact CD1-O 3.4Å; Y320-I337 HydrophobicContact CE1-CB 3.69Å; Y320-I337 HydrophobicContact CE1-CG2 3.59Å; Y320-I337 WeakPolarHBondContact CE1-O 3.32Å; Y320-I337 HydrophobicContact CE2-CB 4.19Å; Y320-I337 HydrophobicContact CE2-CG2 4.4Å; Y320-I337 VanDerWaalsContact CZ-CG2 3.48Å; Y320-I337 VanDerWaalsContact OH-CG2 3.22Å; Y320-I337 WeakPolarHBondContact OH-CG2 3.45Å; Y320-H339 VanDerWaalsContact CE1-O 3.27Å; Y320-H339 WeakPolarHBondContact CE1-O 3.25Å; Y320-H339 PolarHBondContact OH-O 3.39Å; Y320-K340 PolarHBondContact OH-O 3.4Å; Y320-R341 HydrophobicContact CD1-CB 3.74Å; Y320-R341 HydrophobicContact CD1-CG 3.75Å; Y320-R341 HydrophobicContact CD2-CB 4.39Å; Y320-R341 HydrophobicContact CD2-CG 3.76Å; Y320-R341 HydrophobicContact CE1-CB 3.51Å; Y320-R341 HydrophobicContact CE1-CG 3.94Å; Y320-R341 HydrophobicContact CE2-CB 4.19Å; Y320-R341 HydrophobicContact CE2-CG 3.94Å; Y320-R341 HydrophobicContact CG-CB 4.18Å; Y320-R341 HydrophobicContact CG-CG 3.65Å; Y320-R341 VanDerWaalsContact CZ-CA 3.42Å; Y320-R341 WeakPolarHBondContact OH-CA 3.27Å; Y320-R341 PolarHBondContact OH-N 2.86Å; Y320-A344 HydrophobicContact CE2-CB 3.79Å; Y320-A344 WeakPolarHBondContact OH-CB 3.49Å
321C95.5Very high94.4Very high11 Ų1124.2 Ų24.27%0.07413%0.132CC..EExtended strand (participates in β ladder)trans-109.4128.2-175.7-63.60000111A325C321-A325 HydrophobicContact CB-CB 4.45Å; C321-A325 VanDerWaalsContact CB-O 3.23Å; C321-A325 WeakPolarHBondContact CB-O 3.29Å
322N91.2Very high93.5Very high36 Ų3624.6 Ų24.619%0.19313%0.133CC..  trans-120.9151.2-176.3-64.2-26.1000112.1I294 M324 A325 R341I294-N322 PolarHBondContact O-N 3.44Å; N322-M324 PolarHBondContact O-N 2.9Å; N322-A325 WeakPolarHBondContact O-CB 3.47Å; N322-A325 PolarHBondContact O-N 2.7Å; N322-A325 VanDerWaalsContact O-N 3.13Å; N322-R341 PolarHBondContact ND2-NH1 2.9Å; N322-R341 PolarHBondContact OD1-NH1 2.94Å; N322-R341 VanDerWaalsContact OD1-NH1 3.16Å
323G88.6Confident92.2Very high15 Ų1532.2 Ų32.216%0.15517%0.169CC..G310 helixtrans55.6-131.8176.400000111.9A325 R326G323-A325 PolarHBondContact O-N 3.4Å; G323-R326 WeakPolarHBondContact O-CB 3.3Å; G323-R326 PolarHBondContact O-N 3.44Å
324M91.9Very high91.5Very high22 Ų2230.4 Ų30.411%0.10817%0.168CC..G310 helixtrans-56.1-24.2178.5-63.5-169.6-71.200114.2R114 M299 L300 N322 R326R114-M324 HydrophobicContact CB-SD 3.83Å; R114-M324 HydrophobicContact CG-SD 3.6Å; R114-M324 VanDerWaalsContact CG-SD 3.6Å; M299-M324 HydrophobicContact CB-CB 4.33Å; M299-M324 HydrophobicContact CG-CB 4.14Å; L300-M324 HydrophobicContact CD2-CE 4.34Å; N322-M324 PolarHBondContact O-N 2.9Å; M324-R326 VanDerWaalsContact C-N 3.31Å
325A95.3Very high91.3Very high0 Ų027.8 Ų27.80%015%0.152CC..G310 helixtrans-81.1-8.7179.100000113.4I294 M299 C321 N322 G323 G327 L328I294-A325 HydrophobicContact CB-CB 4.36Å; I294-A325 HydrophobicContact CG2-CB 3.73Å; M299-A325 HydrophobicContact CG-CB 3.89Å; M299-A325 HydrophobicContact SD-CB 4.02Å; C321-A325 HydrophobicContact CB-CB 4.45Å; C321-A325 VanDerWaalsContact CB-O 3.23Å; C321-A325 WeakPolarHBondContact CB-O 3.29Å; N322-A325 WeakPolarHBondContact O-CB 3.47Å; N322-A325 PolarHBondContact O-N 2.7Å; N322-A325 VanDerWaalsContact O-N 3.13Å; G323-A325 PolarHBondContact O-N 3.4Å; A325-G327 PolarHBondContact O-N 3.41Å; A325-L328 WeakPolarHBondContact O-CB 3.31Å; A325-L328 PolarHBondContact O-N 2.96Å
326R94.1Very high91.2Very high47 Ų4728.8 Ų28.818%0.17716%0.157CC..THydrogen-bonded Turntrans-53-35.5-169-174.3176.6167.3102.48.7114.4G323 M324 Q336 A485 L488 A490 W496G323-R326 WeakPolarHBondContact O-CB 3.3Å; G323-R326 PolarHBondContact O-N 3.44Å; M324-R326 VanDerWaalsContact C-N 3.31Å; R326-Q336 PolarHBondContact O-NE2 3.34Å; R326-A485 VanDerWaalsContact CZ-O 3.31Å; R326-A485 PolarHBondContact NH1-O 3.03Å; R326-A485 VanDerWaalsContact NH1-O 3.14Å; R326-A485 PolarHBondContact NH2-O 2.98Å; R326-L488 PolarHBondContact NH2-O 3.36Å; R326-L488 VanDerWaalsContact NH2-O 3.17Å; R326-A490 HydrophobicContact CG-CB 4.24Å; R326-W496 HydrophobicContact CB-CG 4.25Å; R326-W496 HydrophobicContact CG-CD2 4.47Å; R326-W496 HydrophobicContact CG-CG 4.48Å; R326-W496 VanDerWaalsContact NE-CZ2 3.3Å
327G94.1Very high91.2Very high1 Ų127.6 Ų27.61%0.0115%0.15CC..THydrogen-bonded Turntrans-92.70.217700000115.9A325 L329 A330 G492 P493A325-G327 PolarHBondContact O-N 3.41Å; G327-L329 PolarHBondContact O-N 3.33Å; G327-L329 VanDerWaalsContact O-N 3.13Å; G327-A330 WeakPolarHBondContact O-CB 3.16Å; G327-A330 PolarHBondContact O-N 3.22Å; G327-G492 CarbonylContact C-O 3.51Å; G327-G492 VanDerWaalsContact CA-O 3.32Å; G327-G492 WeakPolarHBondContact CA-O 3.24Å; G327-G492 CarbonylContact O-C 3.56Å; G327-G492 VanDerWaalsContact O-CA 3.3Å; G327-G492 WeakPolarHBondContact O-CA 3.27Å; G327-P493 VanDerWaalsContact O-N 3.09Å
328L96.1Very high91Very high2 Ų230.5 Ų30.51%0.0117%0.165CC..THydrogen-bonded Turntrans-52.7-38.9-174.3176.564.5000113.2I294 M299 I305 L308 V309 L312 A325I294-L328 HydrophobicContact CD1-CD2 3.82Å; I294-L328 HydrophobicContact CG2-CD2 3.85Å; M299-L328 HydrophobicContact CE-CB 4.47Å; M299-L328 HydrophobicContact CE-CD1 3.96Å; M299-L328 HydrophobicContact SD-CB 4.21Å; M299-L328 HydrophobicContact SD-CD1 3.86Å; M299-L328 HydrophobicContact SD-CD2 4.16Å; M299-L328 HydrophobicContact SD-CG 4.3Å; I305-L328 HydrophobicContact CG2-CD1 4.06Å; L308-L328 HydrophobicContact CD2-CD1 4Å; L308-L328 HydrophobicContact CD2-CD2 3.77Å; L308-L328 HydrophobicContact CG-CD1 4.35Å; L308-L328 HydrophobicContact CG-CD2 4.18Å; V309-L328 HydrophobicContact CG2-CD1 3.62Å; V309-L328 HydrophobicContact CG2-CG 4.24Å; V309-L328 WeakPolarHBondContact CG2-O 3.47Å; L312-L328 HydrophobicContact CD1-CD2 3.78Å; L312-L328 HydrophobicContact CD1-CG 4.47Å; A325-L328 WeakPolarHBondContact O-CB 3.31Å; A325-L328 PolarHBondContact O-N 2.96Å
329L95.5Very high90.8Very high1 Ų131 Ų311%0.00517%0.168CC..THydrogen-bonded Turntrans-116.421.3-174.5-65.7177.1000112.3I294 V309 L312 C319 G327 D331 V332 L335 Q336I294-L329 HydrophobicContact CD1-CD1 4.28Å; V309-L329 HydrophobicContact CG1-CD2 4.44Å; L312-L329 HydrophobicContact CB-CD2 4.28Å; L312-L329 HydrophobicContact CD1-CD1 4.25Å; L312-L329 HydrophobicContact CD1-CD2 3.95Å; L312-L329 HydrophobicContact CD1-CG 4.32Å; C319-L329 HydrophobicContact CB-CD1 3.55Å; G327-L329 PolarHBondContact O-N 3.33Å; G327-L329 VanDerWaalsContact O-N 3.13Å; L329-D331 PolarHBondContact O-N 3.06Å; L329-D331 VanDerWaalsContact O-N 3.16Å; L329-V332 HydrophobicContact CB-CB 4.28Å; L329-V332 HydrophobicContact CD2-CB 4.02Å; L329-V332 HydrophobicContact CD2-CG1 4.29Å; L329-V332 HydrophobicContact CD2-CG2 4.21Å; L329-V332 PolarHBondContact O-N 3.44Å; L329-L335 HydrophobicContact CD1-CB 4.16Å; L329-Q336 HydrophobicContact CB-CB 3.8Å; L329-Q336 HydrophobicContact CB-CG 4.49Å; L329-Q336 PolarHBondContact O-OE1 2.85Å
330A90.4Very high90.7Very high30 Ų3035 Ų3525%0.24819%0.185CC..THydrogen-bonded Turntrans-55.1-37.2-174.200000113.1G327 A490G327-A330 WeakPolarHBondContact O-CB 3.16Å; G327-A330 PolarHBondContact O-N 3.22Å; A330-A490 WeakPolarHBondContact CB-O 3.36Å
331D81.7Confident90.6Very high136 Ų13637.8 Ų37.873%0.72720%0.196SC*.THydrogen-bonded Turntrans-100.515.5179.2-58.2-46.3000113.1L329L329-D331 PolarHBondContact O-N 3.06Å; L329-D331 VanDerWaalsContact O-N 3.16Å
332V78.2Confident90.6Very high15 Ų1543.9 Ų43.99%0.09122%0.217CC..  trans-120.770.8-173.8-1710000110.4V309 K313 L329 L335V309-V332 HydrophobicContact CG1-CG2 3.76Å; K313-V332 HydrophobicContact CD-CG1 4.12Å; K313-V332 HydrophobicContact CG-CG1 3.66Å; L329-V332 HydrophobicContact CB-CB 4.28Å; L329-V332 HydrophobicContact CD2-CB 4.02Å; L329-V332 HydrophobicContact CD2-CG1 4.29Å; L329-V332 HydrophobicContact CD2-CG2 4.21Å; L329-V332 PolarHBondContact O-N 3.44Å; V332-L335 HydrophobicContact CG1-CB 4.43Å; V332-L335 HydrophobicContact CG1-CD1 3.61Å; V332-L335 HydrophobicContact CG1-CG 4.05Å; V332-L335 PolarHBondContact O-N 2.92Å
333E71.9Confident90.9Very high162 Ų16245.7 Ų45.776%0.75722%0.224SC*.THydrogen-bonded Turntrans-73.9142.9166.4-62.4-168.3177.100110.4
334P79.1Confident91.3Very high67 Ų6745 Ų4544%0.43522%0.217SC..THydrogen-bonded Turncis-96.416.73.637.8-35.5000114.6K430P334-K430 HydrophobicContact CB-CD 4.39Å; P334-K430 HydrophobicContact CB-CG 4.16Å; P334-K430 WeakPolarHBondContact O-CE 3.42Å
335L93Very high91.6Very high5 Ų544 Ų443%0.02621%0.212CC..THydrogen-bonded Turntrans-68.1-43.2-167.4-61-179000114.2L312 K313 N316 P318 C319 L329 V332L312-L335 HydrophobicContact CB-CD1 4.42Å; K313-L335 HydrophobicContact CG-CD1 4.08Å; N316-L335 WeakPolarHBondContact OD1-CD2 3.46Å; P318-L335 CarbonylContact C-O 3.58Å; P318-L335 WeakPolarHBondContact CA-O 3.25Å; C319-L335 PolarHBondContact N-O 3.44Å; L329-L335 HydrophobicContact CD1-CB 4.16Å; V332-L335 HydrophobicContact CG1-CB 4.43Å; V332-L335 HydrophobicContact CG1-CD1 3.61Å; V332-L335 HydrophobicContact CG1-CG 4.05Å; V332-L335 PolarHBondContact O-N 2.92Å
336Q94.3Very high91.7Very high21 Ų2150.1 Ų50.110%0.09824%0.239CC..BIsolated β-bridgetrans-77.8126.4-176.4-179162.9-6.700111.3C319 R326 L329 L338 K430C319-Q336 WeakPolarHBondContact O-CA 3.41Å; R326-Q336 PolarHBondContact O-NE2 3.34Å; L329-Q336 HydrophobicContact CB-CB 3.8Å; L329-Q336 HydrophobicContact CB-CG 4.49Å; L329-Q336 PolarHBondContact O-OE1 2.85Å; Q336-L338 HydrophobicContact CG-CD2 4.03Å; Q336-K430 WeakPolarHBondContact O-CE 3.48Å; Q336-K430 PolarHBondContact O-NZ 2.65Å
337I94.9Very high91.8Very high2 Ų251.2 Ų51.21%0.0125%0.246CC..  trans-107.6138.2169-48.5-63.6000108.3P318 C319 Y320 L429 K430 D433P318-I337 HydrophobicContact CB-CG1 4.11Å; C319-I337 PolarHBondContact O-N 2.96Å; Y320-I337 HydrophobicContact CD1-CB 4.24Å; Y320-I337 WeakPolarHBondContact CD1-O 3.4Å; Y320-I337 HydrophobicContact CE1-CB 3.69Å; Y320-I337 HydrophobicContact CE1-CG2 3.59Å; Y320-I337 WeakPolarHBondContact CE1-O 3.32Å; Y320-I337 HydrophobicContact CE2-CB 4.19Å; Y320-I337 HydrophobicContact CE2-CG2 4.4Å; Y320-I337 VanDerWaalsContact CZ-CG2 3.48Å; Y320-I337 VanDerWaalsContact OH-CG2 3.22Å; Y320-I337 WeakPolarHBondContact OH-CG2 3.45Å; I337-L429 HydrophobicContact CD1-CB 3.93Å; I337-L429 HydrophobicContact CG1-CB 4.18Å; I337-L429 HydrophobicContact CG1-CD1 4.39Å; I337-K430 HydrophobicContact CD1-CD 3.88Å; I337-K430 VanDerWaalsContact CD1-CE 3.47Å; I337-K430 HydrophobicContact CD1-CG 3.87Å; I337-D433 HydrophobicContact CG2-CB 3.99Å
338L92.8Very high92Very high62 Ų6251.1 Ų51.133%0.32525%0.245SC..  trans-100.3-42.2-177.2-61.6179.7000111.6Q336 D433 K489Q336-L338 HydrophobicContact CG-CD2 4.03Å; L338-D433 PolarHBondContact N-OD1 3.11Å; L338-K489 HydrophobicContact CD1-CG 4.28Å
339H93.8Very high92.1Very high11 Ų1153.6 Ų53.65%0.05126%0.258CS..SBendtrans-109.8169.5-168-58.8-59.4000113.4Y320 R341 D433 A436 E437 Y486Y320-H339 VanDerWaalsContact CE1-O 3.27Å; Y320-H339 WeakPolarHBondContact CE1-O 3.25Å; Y320-H339 PolarHBondContact OH-O 3.39Å; H339-R341 PolarHBondContact O-N 2.83Å; H339-R341 VanDerWaalsContact O-N 3.09Å; H339-D433 WeakPolarHBondContact CB-OD1 3.3Å; H339-D433 IonicContact CD2-OD1 2.92Å; H339-D433 PolarHBondContact CD2-OD1 3.22Å; H339-D433 IonicContact CG-OD1 2.99Å; H339-D433 PolarHBondContact N-OD1 3.32Å; H339-A436 HydrophobicContact CB-CB 3.52Å; H339-E437 IonicContact CD2-OE1 2.75Å; H339-E437 IonicContact CE1-OE1 2.79Å; H339-E437 IonicContact NE2-OE1 2.79Å; H339-E437 PolarHBondContact NE2-OE1 2.95Å; H339-Y486 PolarHBondContact CE1-O 3.28Å; H339-Y486 VanDerWaalsContact CE1-O 3.26Å; H339-Y486 AromaticContact ND1-CD1 3.87Å
340K94.5Very high92.3Very high82 Ų8253.7 Ų53.736%0.35726%0.259SS..  trans53.635.2171.7-53.1-64.6-174.1175.10114.3Y320 R342 E343 A344 R432 A436Y320-K340 PolarHBondContact OH-O 3.4Å; K340-R342 VanDerWaalsContact C-N 3.3Å; K340-R342 PolarHBondContact O-N 2.87Å; K340-E343 WeakPolarHBondContact CA-OE2 3.45Å; K340-E343 PolarHBondContact O-N 3.14Å; K340-E343 VanDerWaalsContact O-OE2 3.14Å; K340-A344 PolarHBondContact O-N 2.94Å; K340-A344 VanDerWaalsContact O-N 3.09Å; K340-R432 HydrophobicContact CB-CG 3.87Å; K340-R432 HydrophobicContact CG-CG 3.76Å; K340-A436 HydrophobicContact CG-CB 4.27Å
341R95.7Very high92.7Very high66 Ų6652.2 Ų52.225%0.24925%0.247CC..Hα-helixtrans-58.9-39.6179.9-173.7-176.166.8-175.80.7112.6I293 Y320 N322 H339 E343 A344 L345 R361I293-R341 HydrophobicContact CD1-CG 4.41Å; Y320-R341 HydrophobicContact CD1-CB 3.74Å; Y320-R341 HydrophobicContact CD1-CG 3.75Å; Y320-R341 HydrophobicContact CD2-CB 4.39Å; Y320-R341 HydrophobicContact CD2-CG 3.76Å; Y320-R341 HydrophobicContact CE1-CB 3.51Å; Y320-R341 HydrophobicContact CE1-CG 3.94Å; Y320-R341 HydrophobicContact CE2-CB 4.19Å; Y320-R341 HydrophobicContact CE2-CG 3.94Å; Y320-R341 HydrophobicContact CG-CB 4.18Å; Y320-R341 HydrophobicContact CG-CG 3.65Å; Y320-R341 VanDerWaalsContact CZ-CA 3.42Å; Y320-R341 WeakPolarHBondContact OH-CA 3.27Å; Y320-R341 PolarHBondContact OH-N 2.86Å; N322-R341 PolarHBondContact ND2-NH1 2.9Å; N322-R341 PolarHBondContact OD1-NH1 2.94Å; N322-R341 VanDerWaalsContact OD1-NH1 3.16Å; H339-R341 PolarHBondContact O-N 2.83Å; H339-R341 VanDerWaalsContact O-N 3.09Å; R341-E343 VanDerWaalsContact C-N 3.31Å; R341-E343 PolarHBondContact O-N 2.98Å; R341-A344 PolarHBondContact O-N 3.47Å; R341-L345 HydrophobicContact CG-CD1 3.83Å; R341-L345 HydrophobicContact CG-CG 4.29Å; R341-L345 WeakPolarHBondContact O-CB 3.4Å; R341-L345 VanDerWaalsContact O-CG 3.25Å; R341-L345 WeakPolarHBondContact O-CG 3.39Å; R341-L345 PolarHBondContact O-N 3.27Å; R341-R361 PolarHBondContact NH2-O 3.45Å
342R95.3Very high93.5Very high138 Ų13845.8 Ų45.852%0.52121%0.212SC..Hα-helixtrans-63.4-41-178178179.8-96171-7.9110.7K340 K346 D363K340-R342 VanDerWaalsContact C-N 3.3Å; K340-R342 PolarHBondContact O-N 2.87Å; R342-K346 WeakPolarHBondContact O-CG 3.05Å; R342-K346 PolarHBondContact O-N 3.05Å; R342-D363 IonicContact CZ-OD2 3.7Å; R342-D363 IonicContact NE-OD2 2.77Å; R342-D363 IonicContact NH2-OD2 3.73Å; R342-D363 PolarHBondContact NH2-OD2 3.48Å
343E96.7Very high94.4Very high75 Ų7545.2 Ų45.235%0.3521%0.209SC..Hα-helixtrans-67-46.8177.3-628616000110.7K340 R341 L345 K346 E347K340-E343 WeakPolarHBondContact CA-OE2 3.45Å; K340-E343 PolarHBondContact O-N 3.14Å; K340-E343 VanDerWaalsContact O-OE2 3.14Å; R341-E343 VanDerWaalsContact C-N 3.31Å; R341-E343 PolarHBondContact O-N 2.98Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 3.42Å; E343-K346 PolarHBondContact O-N 2.85Å; E343-E347 WeakPolarHBondContact O-CG 3.48Å; E343-E347 PolarHBondContact O-N 3.25Å
344A97.7Very high95.6Very high0 Ų037.5 Ų37.50%017%0.173CC..Hα-helixtrans-58.6-41.6175.400000112.6L291 Y320 K340 R341 K346 E347 A348 L429L291-A344 HydrophobicContact CD2-CB 4.15Å; Y320-A344 HydrophobicContact CE2-CB 3.79Å; Y320-A344 WeakPolarHBondContact OH-CB 3.49Å; K340-A344 PolarHBondContact O-N 2.94Å; K340-A344 VanDerWaalsContact O-N 3.09Å; R341-A344 PolarHBondContact O-N 3.47Å; A344-K346 VanDerWaalsContact C-N 3.35Å; A344-K346 PolarHBondContact O-N 3.38Å; A344-E347 PolarHBondContact O-N 2.84Å; A344-A348 WeakPolarHBondContact O-CB 3.47Å; A344-A348 PolarHBondContact O-N 2.93Å; A344-L429 HydrophobicContact CB-CD1 4.4Å; A344-L429 HydrophobicContact CB-CD2 3.67Å
345L97.8Very high96.5Very high0 Ų034.6 Ų34.60%016%0.155CC..Hα-helixtrans-68-30.7178.3-72.8166.7000113.7L291 I293 R341 E343 E347 V351 L362 S367 L368 N369L291-L345 HydrophobicContact CD2-CD2 3.61Å; L291-L345 HydrophobicContact CD2-CG 4Å; I293-L345 HydrophobicContact CD1-CD2 4.06Å; I293-L345 HydrophobicContact CG1-CD2 4.15Å; R341-L345 HydrophobicContact CG-CD1 3.83Å; R341-L345 HydrophobicContact CG-CG 4.29Å; R341-L345 WeakPolarHBondContact O-CB 3.4Å; R341-L345 VanDerWaalsContact O-CG 3.25Å; R341-L345 WeakPolarHBondContact O-CG 3.39Å; R341-L345 PolarHBondContact O-N 3.27Å; E343-L345 VanDerWaalsContact C-N 3.32Å; E343-L345 PolarHBondContact O-N 3.42Å; L345-E347 VanDerWaalsContact C-N 3.35Å; L345-V351 HydrophobicContact CD2-CG1 4.02Å; L345-V351 HydrophobicContact CD2-CG2 4.11Å; L345-L362 HydrophobicContact CD1-CD1 3.73Å; L345-S367 CarbonylContact C-O 3.53Å; L345-S367 WeakPolarHBondContact CB-O 3.22Å; L345-L368 HydrophobicContact CD2-CD2 3.67Å; L345-N369 WeakPolarHBondContact O-CB 3.29Å; L345-N369 PolarHBondContact O-N 3.26Å
346K97.3Very high96.6Very high129 Ų12935 Ų3556%0.56116%0.16SC*.Hα-helixtrans-72.9-28.9174.8-76.2178.8178.4-175.60112.7R342 E343 A344 N369R342-K346 WeakPolarHBondContact O-CG 3.05Å; R342-K346 PolarHBondContact O-N 3.05Å; E343-K346 PolarHBondContact O-N 2.85Å; A344-K346 VanDerWaalsContact C-N 3.35Å; A344-K346 PolarHBondContact O-N 3.38Å; K346-N369 WeakPolarHBondContact O-CB 3.12Å; K346-N369 PolarHBondContact O-ND2 3.11Å
347E97.8Very high96.5Very high70 Ų7034.4 Ų34.433%0.32716%0.158SC..Hα-helixtrans-87.8-35.8-179.4-71.3169.7-173.700112.4Q289 E343 A344 L345 W425 R432Q289-E347 PolarHBondContact OE1-O 3.49Å; E343-E347 WeakPolarHBondContact O-CG 3.48Å; E343-E347 PolarHBondContact O-N 3.25Å; A344-E347 PolarHBondContact O-N 2.84Å; L345-E347 VanDerWaalsContact C-N 3.35Å; E347-W425 HydrophobicContact CB-CH2 3.72Å; E347-W425 HydrophobicContact CB-CZ3 4.38Å; E347-W425 VanDerWaalsContact OE2-CH2 3.32Å; E347-W425 WeakPolarHBondContact OE2-CH2 3.43Å; E347-W425 WeakPolarHBondContact OE2-CZ3 3.21Å; E347-R432 VanDerWaalsContact CD-NH2 3.25Å; E347-R432 IonicContact OE1-CZ 3.5Å; E347-R432 IonicContact OE1-NH1 2.73Å; E347-R432 IonicContact OE1-NH2 3.37Å; E347-R432 PolarHBondContact OE1-NH2 2.8Å; E347-R432 IonicContact OE2-CZ 2.73Å; E347-R432 IonicContact OE2-NH1 2.94Å; E347-R432 PolarHBondContact OE2-NH1 3.3Å; E347-R432 IonicContact OE2-NH2 3.5Å; E347-R432 PolarHBondContact OE2-NH2 3.38Å
348A98.3Very high96.5Very high0 Ų034.3 Ų34.30%016%0.158CC..  trans-52.2142-17600000113.1Q289 L291 A344 V351 N369 A372Q289-A348 VanDerWaalsContact O-CA 3.32Å; Q289-A348 WeakPolarHBondContact O-CA 3.2Å; Q289-A348 WeakPolarHBondContact O-CB 3.42Å; L291-A348 HydrophobicContact CB-CB 4.12Å; A344-A348 WeakPolarHBondContact O-CB 3.47Å; A344-A348 PolarHBondContact O-N 2.93Å; A348-V351 HydrophobicContact CB-CG2 3.89Å; A348-N369 PolarHBondContact O-ND2 2.84Å; A348-A372 WeakPolarHBondContact O-CB 3.47Å
349D98.1Very high96.5Very high53 Ų5332.1 Ų32.128%0.28315%0.146SC..SBendtrans-98.3-17.9174.767.6-3.9000112.6S287 K288 Q289 A372 K373S287-D349 WeakPolarHBondContact CB-OD1 3.42Å; S287-D349 PolarHBondContact OG-OD1 2.99Å; K288-D349 PolarHBondContact N-OD2 2.85Å; Q289-D349 WeakPolarHBondContact CA-OD1 3.34Å; Q289-D349 PolarHBondContact N-OD1 3.08Å; Q289-D349 PolarHBondContact N-OD2 2.9Å; Q289-D349 PolarHBondContact O-N 2.92Å; Q289-D349 VanDerWaalsContact O-OD1 3.14Å; D349-A372 CarbonylContact O-C 3.49Å; D349-A372 VanDerWaalsContact O-CA 3.27Å; D349-A372 WeakPolarHBondContact O-CA 3.18Å; D349-K373 PolarHBondContact O-N 3.15Å
350L98.5Very high96.4Very high3 Ų337 Ų372%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-140.2129.6173.6175.968.4000109.8L283 L284 S287 P290 L291 K373 I375L283-L350 HydrophobicContact CB-CD1 4.38Å; L284-L350 HydrophobicContact CB-CD2 4.07Å; L284-L350 HydrophobicContact CD1-CD2 3.75Å; S287-L350 WeakPolarHBondContact OG-CB 3.36Å; P290-L350 CarbonylContact C-O 3.56Å; P290-L350 WeakPolarHBondContact CA-O 3.41Å; P290-L350 HydrophobicContact CB-CB 4.42Å; P290-L350 HydrophobicContact CB-CD2 4.33Å; L291-L350 PolarHBondContact N-O 2.95Å; L350-K373 CarbonylContact C-O 3.57Å; L350-K373 VanDerWaalsContact CA-O 3.27Å; L350-K373 WeakPolarHBondContact CA-O 3.43Å; L350-K373 HydrophobicContact CD1-CB 3.72Å; L350-K373 WeakPolarHBondContact CD1-O 3.31Å; L350-I375 HydrophobicContact CD1-CD1 3.9Å; L350-I375 HydrophobicContact CD1-CG1 3.99Å
351V98.5Very high96.2Very high0 Ų037.3 Ų37.30%017%0.166CC..EExtended strand (participates in β ladder)trans-122125.1173.7-177.20000109.9L291 I293 L345 A348 L353 L368 K373 V374 I375L291-V351 CarbonylContact O-C 3.57Å; L291-V351 WeakPolarHBondContact O-CA 3.25Å; I293-V351 HydrophobicContact CG1-CG1 4.27Å; L345-V351 HydrophobicContact CD2-CG1 4.02Å; L345-V351 HydrophobicContact CD2-CG2 4.11Å; A348-V351 HydrophobicContact CB-CG2 3.89Å; V351-L353 HydrophobicContact CG1-CD2 3.74Å; V351-L353 HydrophobicContact CG1-CG 4.3Å; V351-L368 HydrophobicContact CB-CD2 4.43Å; V351-L368 HydrophobicContact CG1-CD2 4.05Å; V351-L368 HydrophobicContact CG2-CD2 4.26Å; V351-K373 PolarHBondContact N-O 3.19Å; V351-V374 HydrophobicContact CB-CG2 4.5Å; V351-V374 CarbonylContact O-C 3.14Å; V351-V374 WeakPolarHBondContact O-CA 3.47Å; V351-I375 PolarHBondContact O-N 3.32Å
352I98.4Very high96Very high1 Ų134.3 Ų34.31%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-101.7111.7171.3-54.4-179.2000108.4L291 I292 I293 A354 I375 I377 L409L291-I352 PolarHBondContact O-N 3.42Å; I292-I352 CarbonylContact C-O 3.57Å; I292-I352 WeakPolarHBondContact CA-O 3.38Å; I292-I352 HydrophobicContact CD1-CD1 4.45Å; I292-I352 HydrophobicContact CG1-CB 4.16Å; I292-I352 HydrophobicContact CG1-CD1 4.29Å; I292-I352 HydrophobicContact CG2-CB 4.29Å; I292-I352 HydrophobicContact CG2-CG2 4.45Å; I293-I352 PolarHBondContact N-O 2.8Å; I352-A354 PolarHBondContact O-N 3.4Å; I352-I375 CarbonylContact C-O 3.57Å; I352-I375 WeakPolarHBondContact CA-O 3.4Å; I352-I375 HydrophobicContact CG1-CB 4.39Å; I352-I375 HydrophobicContact CG1-CD1 4.47Å; I352-I377 HydrophobicContact CG2-CD1 3.6Å; I352-L409 HydrophobicContact CD1-CD2 4.16Å
353L98.1Very high95.9Very high2 Ų230 Ų301%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-89.494172.3-55.4178.1000108.4I293 V351 G355 C358 L362 V374 I375 A376 I377 W392I293-L353 HydrophobicContact CB-CD2 3.89Å; I293-L353 HydrophobicContact CG1-CD2 3.89Å; V351-L353 HydrophobicContact CG1-CD2 3.74Å; V351-L353 HydrophobicContact CG1-CG 4.3Å; L353-G355 PolarHBondContact O-N 3.26Å; L353-C358 VanDerWaalsContact CD1-SG 3.54Å; L353-L362 HydrophobicContact CD2-CD2 3.92Å; L353-V374 HydrophobicContact CD1-CG1 3.92Å; L353-V374 HydrophobicContact CG-CG1 4.1Å; L353-I375 PolarHBondContact N-O 2.99Å; L353-A376 HydrophobicContact CB-CB 4.42Å; L353-I377 PolarHBondContact O-N 2.83Å; L353-W392 HydrophobicContact CD1-CH2 4.02Å; L353-W392 HydrophobicContact CD1-CZ3 4.08Å
354A97.9Very high95.8Very high0 Ų030.9 Ų30.90%014%0.143CC..EExtended strand (participates in β ladder)trans-93.194-177.900000110.1I292 I293 G295 I352 A356 A402 I406I292-A354 HydrophobicContact CG2-CB 4.16Å; I293-A354 PolarHBondContact O-N 3.09Å; G295-A354 PolarHBondContact N-O 3.16Å; I352-A354 PolarHBondContact O-N 3.4Å; A354-A356 PolarHBondContact O-N 2.86Å; A354-A402 HydrophobicContact CB-CB 4.44Å; A354-I406 HydrophobicContact CB-CD1 4.24Å; A354-I406 HydrophobicContact CB-CG1 4.32Å
355G96.3Very high95.7Very high7 Ų730.9 Ų30.97%0.07214%0.143CC..SBendtrans72.612.217900000114.7L353 I377L353-G355 PolarHBondContact O-N 3.26Å; G355-I377 WeakPolarHBondContact CA-O 3.48Å; G355-I377 PolarHBondContact N-O 2.84Å
356A95.1Very high95.6Very high14 Ų1436.6 Ų36.612%0.11617%0.165CC..  trans-98.3150.6174.400000110.9I293 A354I293-A356 HydrophobicContact CG2-CB 3.88Å; A354-A356 PolarHBondContact O-N 2.86Å
357A93.4Very high95.5Very high7 Ų730.7 Ų30.76%0.05814%0.14CC..  trans-109.9146172.700000109.8D359 Q383A357-D359 PolarHBondContact O-N 3.23Å; A357-Q383 HydrophobicContact CB-CB 4.07Å; A357-Q383 HydrophobicContact CB-CG 4.34Å
358C94.9Very high95.4Very high1 Ų127.7 Ų27.71%0.00713%0.126CC..  trans-79.562.3172.1-68.90000110.5L353 Y364 N387 W392L353-C358 VanDerWaalsContact CD1-SG 3.54Å; C358-Y364 CarbonylContact O-C 3.59Å; C358-Y364 WeakPolarHBondContact O-CA 3.45Å; C358-N387 PolarHBondContact O-ND2 3.49Å; C358-W392 HydrophobicContact CB-CZ2 4.11Å; C358-W392 VanDerWaalsContact SG-CZ2 3.55Å
359D92.9Very high95.3Very high15 Ų1529.3 Ų29.38%0.0814%0.135CC..SBendtrans-91.4-170172.864.133.2000111.3A357 R361 L362 D363 Y364A357-D359 PolarHBondContact O-N 3.23Å; D359-R361 PolarHBondContact O-N 3Å; D359-R361 VanDerWaalsContact O-N 3.11Å; D359-R361 WeakPolarHBondContact OD1-CA 3.44Å; D359-R361 WeakPolarHBondContact OD1-CB 3.26Å; D359-R361 WeakPolarHBondContact OD1-CG 3.44Å; D359-R361 PolarHBondContact OD1-N 3.02Å; D359-R361 IonicContact OD1-NE 3.31Å; D359-R361 PolarHBondContact OD1-NE 3.28Å; D359-R361 VanDerWaalsContact OD1-NE 3.14Å; D359-R361 IonicContact OD2-CZ 3.11Å; D359-R361 VanDerWaalsContact OD2-CZ 3.31Å; D359-R361 IonicContact OD2-NE 3.28Å; D359-R361 PolarHBondContact OD2-NE 3.45Å; D359-R361 VanDerWaalsContact OD2-NE 3.08Å; D359-R361 IonicContact OD2-NH2 3.67Å; D359-R361 PolarHBondContact OD2-NH2 2.91Å; D359-L362 CarbonylContact O-C 3.55Å; D359-L362 PolarHBondContact O-N 2.99Å; D359-D363 PolarHBondContact O-N 3.4Å; D359-Y364 WeakPolarHBondContact O-CA 3.35Å; D359-Y364 PolarHBondContact O-N 2.92Å
360F90.8Very high95.2Very high113 Ų11333.1 Ų33.150%0.49616%0.162SC..G310 helixtrans-54.7-29.8-179.977.7-86.2000113.2L362 D363 Y364 A501F360-L362 PolarHBondContact O-N 2.88Å; F360-D363 PolarHBondContact O-N 3.37Å; F360-Y364 HydrophobicContact CB-CE1 4.12Å; F360-Y364 HydrophobicContact CB-CE2 3.87Å; F360-Y364 WeakPolarHBondContact CB-OH 3.45Å; F360-A501 HydrophobicContact CE1-CB 4.32Å; F360-A501 WeakPolarHBondContact CE1-O 3.26Å
361R90Very high95Very high89 Ų8941.9 Ų41.934%0.33620%0.2SC..G310 helixtrans-68.1-22.4178.8-56.1174.2-67.3173.3-4.8112.1R341 D359R341-R361 PolarHBondContact NH2-O 3.45Å; D359-R361 PolarHBondContact O-N 3Å; D359-R361 VanDerWaalsContact O-N 3.11Å; D359-R361 WeakPolarHBondContact OD1-CA 3.44Å; D359-R361 WeakPolarHBondContact OD1-CB 3.26Å; D359-R361 WeakPolarHBondContact OD1-CG 3.44Å; D359-R361 PolarHBondContact OD1-N 3.02Å; D359-R361 IonicContact OD1-NE 3.31Å; D359-R361 PolarHBondContact OD1-NE 3.28Å; D359-R361 VanDerWaalsContact OD1-NE 3.14Å; D359-R361 IonicContact OD2-CZ 3.11Å; D359-R361 VanDerWaalsContact OD2-CZ 3.31Å; D359-R361 IonicContact OD2-NE 3.28Å; D359-R361 PolarHBondContact OD2-NE 3.45Å; D359-R361 VanDerWaalsContact OD2-NE 3.08Å; D359-R361 IonicContact OD2-NH2 3.67Å; D359-R361 PolarHBondContact OD2-NH2 2.91Å
362L93.1Very high95Very high4 Ų442.4 Ų42.42%0.02120%0.204CC..G310 helixtrans-109.523.1172.2-158.466.1000111.7L345 L353 D359 F360 Y364 G365 S367L345-L362 HydrophobicContact CD1-CD1 3.73Å; L353-L362 HydrophobicContact CD2-CD2 3.92Å; D359-L362 CarbonylContact O-C 3.55Å; D359-L362 PolarHBondContact O-N 2.99Å; F360-L362 PolarHBondContact O-N 2.88Å; L362-Y364 PolarHBondContact O-N 3.36Å; L362-G365 PolarHBondContact O-N 3.45Å; L362-S367 PolarHBondContact O-OG 2.9Å; L362-S367 VanDerWaalsContact O-OG 3.07Å
363D93.3Very high95Very high47 Ų4747.6 Ų47.625%0.25123%0.227SC..G310 helixtrans55.537-178.4-160.7-2.6000112R342 D359 F360 G365 R366R342-D363 IonicContact CZ-OD2 3.7Å; R342-D363 IonicContact NE-OD2 2.77Å; R342-D363 IonicContact NH2-OD2 3.73Å; R342-D363 PolarHBondContact NH2-OD2 3.48Å; D359-D363 PolarHBondContact O-N 3.4Å; F360-D363 PolarHBondContact O-N 3.37Å; D363-G365 PolarHBondContact O-N 3.46Å; D363-R366 VanDerWaalsContact O-CB 3.28Å; D363-R366 WeakPolarHBondContact O-CB 3.37Å; D363-R366 WeakPolarHBondContact O-CG 3.23Å; D363-R366 PolarHBondContact O-N 2.84Å; D363-R366 IonicContact OD1-NH1 3.84Å
364Y94.7Very high95Very high93 Ų9347.6 Ų47.637%0.36523%0.227SC..G310 helixtrans58.415.7-177.3-50.3-93.8000114.2C358 D359 F360 L362 N387 F391C358-Y364 CarbonylContact O-C 3.59Å; C358-Y364 WeakPolarHBondContact O-CA 3.45Å; D359-Y364 WeakPolarHBondContact O-CA 3.35Å; D359-Y364 PolarHBondContact O-N 2.92Å; F360-Y364 HydrophobicContact CB-CE1 4.12Å; F360-Y364 HydrophobicContact CB-CE2 3.87Å; F360-Y364 WeakPolarHBondContact CB-OH 3.45Å; L362-Y364 PolarHBondContact O-N 3.36Å; Y364-N387 WeakPolarHBondContact O-CB 3.32Å; Y364-F391 VanDerWaalsContact CB-CD2 3.49Å; Y364-F391 HydrophobicContact CG-CE2 4.49Å; Y364-F391 WeakPolarHBondContact O-CB 3.42Å; Y364-F391 WeakPolarHBondContact O-CD2 3.13Å
365G95.5Very high95Very high0 Ų047.6 Ų47.60%023%0.227CC..G310 helixtrans93.4-4.1-173.700000114.8L362 D363 S367 L368L362-G365 PolarHBondContact O-N 3.45Å; D363-G365 PolarHBondContact O-N 3.46Å; G365-S367 PolarHBondContact O-N 2.83Å; G365-L368 VanDerWaalsContact O-CB 3.32Å; G365-L368 WeakPolarHBondContact O-CB 3.42Å; G365-L368 WeakPolarHBondContact O-CG 3.36Å; G365-L368 PolarHBondContact O-N 2.81Å; G365-L368 VanDerWaalsContact O-N 3.1Å
366R95.4Very high95Very high120 Ų12047.4 Ų47.445%0.45323%0.225SC..THydrogen-bonded Turntrans-64-22.7178-64.5-177.7-176.691.4-7.1113.7D363 L368 F391D363-R366 VanDerWaalsContact O-CB 3.28Å; D363-R366 WeakPolarHBondContact O-CB 3.37Å; D363-R366 WeakPolarHBondContact O-CG 3.23Å; D363-R366 PolarHBondContact O-N 2.84Å; D363-R366 IonicContact OD1-NH1 3.84Å; R366-L368 PolarHBondContact O-N 2.9Å; R366-F391 HydrophobicContact CG-CB 3.76Å; R366-F391 HydrophobicContact CG-CD1 3.72Å; R366-F391 HydrophobicContact CG-CD2 4.44Å; R366-F391 HydrophobicContact CG-CG 3.7Å; R366-F391 VanDerWaalsContact CZ-CE1 3.41Å; R366-F391 VanDerWaalsContact CZ-CZ 3.45Å
367S94Very high95.2Very high6 Ų646.8 Ų46.84%0.04222%0.22CC..THydrogen-bonded Turntrans-74.3-15.5177.2580000113.3L345 L362 G365L345-S367 CarbonylContact C-O 3.53Å; L345-S367 WeakPolarHBondContact CB-O 3.22Å; L362-S367 PolarHBondContact O-OG 2.9Å; L362-S367 VanDerWaalsContact O-OG 3.07Å; G365-S367 PolarHBondContact O-N 2.83Å
368L96.8Very high95.3Very high7 Ų746.5 Ų46.54%0.03722%0.217CC..SBendtrans-74.1134.7179-58.9175.7000110.5L345 V351 G365 R366 P370 V374 W392L345-L368 HydrophobicContact CD2-CD2 3.67Å; V351-L368 HydrophobicContact CB-CD2 4.43Å; V351-L368 HydrophobicContact CG1-CD2 4.05Å; V351-L368 HydrophobicContact CG2-CD2 4.26Å; G365-L368 VanDerWaalsContact O-CB 3.32Å; G365-L368 WeakPolarHBondContact O-CB 3.42Å; G365-L368 WeakPolarHBondContact O-CG 3.36Å; G365-L368 PolarHBondContact O-N 2.81Å; G365-L368 VanDerWaalsContact O-N 3.1Å; R366-L368 PolarHBondContact O-N 2.9Å; L368-P370 VanDerWaalsContact O-CD 3.29Å; L368-P370 WeakPolarHBondContact O-CD 3.31Å; L368-V374 HydrophobicContact CD1-CG2 4.35Å; L368-W392 HydrophobicContact CD1-CB 3.8Å; L368-W392 HydrophobicContact CD1-CD2 4.08Å; L368-W392 HydrophobicContact CD1-CE3 4.05Å; L368-W392 HydrophobicContact CD1-CG 4Å
369N96.6Very high95.4Very high34 Ų3447.1 Ų47.118%0.18222%0.219CC..  trans-55.9119.5170.2-179.9-4.4000110.5L345 K346 A348 K371 A372L345-N369 WeakPolarHBondContact O-CB 3.29Å; L345-N369 PolarHBondContact O-N 3.26Å; K346-N369 WeakPolarHBondContact O-CB 3.12Å; K346-N369 PolarHBondContact O-ND2 3.11Å; A348-N369 PolarHBondContact O-ND2 2.84Å; N369-K371 PolarHBondContact O-N 2.9Å; N369-K371 PolarHBondContact OD1-N 2.82Å; N369-A372 HydrophobicContact CB-CB 3.91Å; N369-A372 WeakPolarHBondContact O-CB 3.42Å; N369-A372 PolarHBondContact O-N 2.79Å
370P94.9Very high95.5Very high133 Ų13347.5 Ų47.586%0.86422%0.223SC*.THydrogen-bonded Turntrans-60.6-20.5-179.1-2534.7000114.5L368L368-P370 VanDerWaalsContact O-CD 3.29Å; L368-P370 WeakPolarHBondContact O-CD 3.31Å
371K95.4Very high95.7Very high187 Ų18747.9 Ų47.981%0.81322%0.224SC*.THydrogen-bonded Turntrans-89.5-15.2177.5-62.8-179-179.4177.30113.1N369N369-K371 PolarHBondContact O-N 2.9Å; N369-K371 PolarHBondContact OD1-N 2.82Å
372A97.3Very high95.8Very high10 Ų1047.2 Ų47.28%0.08324%0.238CC..SBendtrans-67.1148.2-179.100000111.6A348 D349 N369A348-A372 WeakPolarHBondContact O-CB 3.47Å; D349-A372 CarbonylContact O-C 3.49Å; D349-A372 VanDerWaalsContact O-CA 3.27Å; D349-A372 WeakPolarHBondContact O-CA 3.18Å; N369-A372 HydrophobicContact CB-CB 3.91Å; N369-A372 WeakPolarHBondContact O-CB 3.42Å; N369-A372 PolarHBondContact O-N 2.79Å
373K98Very high95.9Very high110 Ų11049 Ų4948%0.47825%0.246SC..EExtended strand (participates in β ladder)trans-74.8134.6162.1-60.1-61178.1-173.20107.9L283 D349 L350 V351 S395L283-K373 HydrophobicContact CD2-CG 4.33Å; D349-K373 PolarHBondContact O-N 3.15Å; L350-K373 CarbonylContact C-O 3.57Å; L350-K373 VanDerWaalsContact CA-O 3.27Å; L350-K373 WeakPolarHBondContact CA-O 3.43Å; L350-K373 HydrophobicContact CD1-CB 3.72Å; L350-K373 WeakPolarHBondContact CD1-O 3.31Å; V351-K373 PolarHBondContact N-O 3.19Å; K373-S395 WeakPolarHBondContact CD-OG 3.28Å
374V98Very high95.9Very high3 Ų347.1 Ų47.12%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-120.4126.6176.7-173.70000109.6V351 L353 L368 W392 K393 A394 S395 L396V351-V374 HydrophobicContact CB-CG2 4.5Å; V351-V374 CarbonylContact O-C 3.14Å; V351-V374 WeakPolarHBondContact O-CA 3.47Å; L353-V374 HydrophobicContact CD1-CG1 3.92Å; L353-V374 HydrophobicContact CG-CG1 4.1Å; L368-V374 HydrophobicContact CD1-CG2 4.35Å; V374-W392 HydrophobicContact CB-CE3 4.27Å; V374-W392 HydrophobicContact CB-CZ3 4.23Å; V374-W392 HydrophobicContact CG1-CE3 3.85Å; V374-W392 HydrophobicContact CG1-CZ3 3.56Å; V374-K393 WeakPolarHBondContact CB-O 3.48Å; V374-A394 CarbonylContact O-C 3.53Å; V374-A394 WeakPolarHBondContact O-CA 3.22Å; V374-S395 PolarHBondContact O-N 3.34Å; V374-L396 PolarHBondContact O-N 2.98Å
375I97.9Very high95.9Very high0 Ų048.5 Ų48.50%024%0.24CC..EExtended strand (participates in β ladder)trans-110.7117174.8-56.5179.7000106.7C280 L283 L350 V351 I352 L353 I377 L396 L398C280-I375 HydrophobicContact CB-CD1 3.99Å; C280-I375 WeakPolarHBondContact SG-CD1 3.35Å; L283-I375 HydrophobicContact CB-CD1 4.11Å; L283-I375 HydrophobicContact CD1-CD1 3.73Å; L283-I375 HydrophobicContact CD1-CG1 4.03Å; L350-I375 HydrophobicContact CD1-CD1 3.9Å; L350-I375 HydrophobicContact CD1-CG1 3.99Å; V351-I375 PolarHBondContact O-N 3.32Å; I352-I375 CarbonylContact C-O 3.57Å; I352-I375 WeakPolarHBondContact CA-O 3.4Å; I352-I375 HydrophobicContact CG1-CB 4.39Å; I352-I375 HydrophobicContact CG1-CD1 4.47Å; L353-I375 PolarHBondContact N-O 2.99Å; I375-I377 HydrophobicContact CG2-CD1 3.75Å; I375-I377 HydrophobicContact CG2-CG1 4.4Å; I375-L396 HydrophobicContact CG1-CB 4.4Å; I375-L396 HydrophobicContact CG2-CB 4.27Å; I375-L396 HydrophobicContact CG2-CD2 4.38Å; I375-L398 HydrophobicContact CG2-CD1 3.5Å; I375-L398 VanDerWaalsContact CG2-CD1 3.5Å
376A97.7Very high95.8Very high3 Ų351.7 Ų51.73%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-111128.9-179.600000110.5L353 L384 W392 L396 F397 L398L353-A376 HydrophobicContact CB-CB 4.42Å; A376-L384 HydrophobicContact CB-CD1 3.72Å; A376-L384 VanDerWaalsContact O-CD1 3.26Å; A376-L384 WeakPolarHBondContact O-CD1 3.45Å; A376-W392 HydrophobicContact CB-CH2 3.89Å; A376-W392 HydrophobicContact CB-CZ3 4.3Å; A376-L396 PolarHBondContact N-O 3.41Å; A376-F397 HydrophobicContact CB-CD1 4.08Å; A376-F397 HydrophobicContact CB-CE1 4.31Å; A376-L398 PolarHBondContact O-N 3.3Å
377I97.8Very high95.8Very high1 Ų148 Ų481%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-127.5123.7179.1-50.296000108.9I352 L353 G355 I375 L398 A400 F405I352-I377 HydrophobicContact CG2-CD1 3.6Å; L353-I377 PolarHBondContact O-N 2.83Å; G355-I377 WeakPolarHBondContact CA-O 3.48Å; G355-I377 PolarHBondContact N-O 2.84Å; I375-I377 HydrophobicContact CG2-CD1 3.75Å; I375-I377 HydrophobicContact CG2-CG1 4.4Å; I377-L398 WeakPolarHBondContact CA-O 3.43Å; I377-L398 HydrophobicContact CB-CB 4.29Å; I377-L398 HydrophobicContact CD1-CD1 4.27Å; I377-L398 HydrophobicContact CG1-CB 3.86Å; I377-L398 HydrophobicContact CG1-CD1 3.58Å; I377-L398 HydrophobicContact CG1-CD2 4.37Å; I377-L398 HydrophobicContact CG1-CG 4.14Å; I377-L398 HydrophobicContact CG2-CB 4.06Å; I377-A400 HydrophobicContact CG2-CB 4.32Å; I377-F405 HydrophobicContact CB-CD1 4.31Å; I377-F405 HydrophobicContact CD1-CD1 3.7Å; I377-F405 HydrophobicContact CD1-CE1 3.31Å; I377-F405 HydrophobicContact CD1-CZ 3.97Å; I377-F405 HydrophobicContact CG1-CD1 3.63Å; I377-F405 HydrophobicContact CG1-CE1 3.61Å; I377-F405 HydrophobicContact CG1-CG 4.11Å; I377-F405 HydrophobicContact CG1-CZ 4.06Å; I377-F405 HydrophobicContact CG2-CB 4.12Å; I377-F405 HydrophobicContact CG2-CD1 4.23Å; I377-F405 HydrophobicContact CG2-CG 4.15Å
378N96.9Very high95.8Very high1 Ų148.8 Ų48.81%0.00525%0.249CC..  trans-159.8141.3-177.4-159.5-71.1000110.3Q297 S380 L384 L398 Q399 A400Q297-N378 VanDerWaalsContact CD-OD1 3.25Å; Q297-N378 VanDerWaalsContact NE2-CG 3.35Å; Q297-N378 PolarHBondContact NE2-ND2 2.99Å; Q297-N378 PolarHBondContact NE2-OD1 3.24Å; Q297-N378 VanDerWaalsContact OE1-CG 3.26Å; Q297-N378 PolarHBondContact OE1-OD1 3.35Å; N378-S380 VanDerWaalsContact C-N 3.28Å; N378-S380 PolarHBondContact O-N 3.44Å; N378-S380 WeakPolarHBondContact OD1-CA 3.42Å; N378-S380 VanDerWaalsContact OD1-CB 3.27Å; N378-S380 WeakPolarHBondContact OD1-CB 3.45Å; N378-S380 PolarHBondContact OD1-N 3.32Å; N378-S380 PolarHBondContact OD1-O 2.89Å; N378-L384 HydrophobicContact CB-CB 4.03Å; N378-L384 HydrophobicContact CB-CD1 3.99Å; N378-L398 PolarHBondContact N-O 2.94Å; N378-L398 VanDerWaalsContact N-O 3.09Å; N378-Q399 WeakPolarHBondContact O-CA 3.47Å; N378-A400 CarbonylContact C-O 3.54Å; N378-A400 PolarHBondContact O-N 2.96Å
379R96.6Very high95.6Very high14 Ų1454.4 Ų54.45%0.05328%0.279CS..SBendtrans-65.8-34.6174.4-63.1-167.6-176.7-179.31.7111.2D203 V204 Q399 A400 D401D203-R379 WeakPolarHBondContact O-CD 3.32Å; D203-R379 PolarHBondContact O-NH1 2.86Å; V204-R379 HydrophobicContact CG2-CB 3.85Å; R379-Q399 WeakPolarHBondContact O-CG 3.3Å; R379-Q399 PolarHBondContact O-NE2 2.89Å; R379-A400 PolarHBondContact N-O 3.46Å; R379-D401 HydrophobicContact CG-CB 4.44Å; R379-D401 IonicContact CZ-OD2 3.69Å; R379-D401 IonicContact NE-OD2 3.73Å; R379-D401 PolarHBondContact NE-OD2 2.84Å; R379-D401 IonicContact NH2-OD2 3.56Å; R379-D401 PolarHBondContact NH2-OD2 3.33Å
380S94.8Very high95.4Very high22 Ų2257.6 Ų57.615%0.15430%0.3CS..  trans-82.6117.7179-178.80000111.4N378 A382 Q383 L384N378-S380 VanDerWaalsContact C-N 3.28Å; N378-S380 PolarHBondContact O-N 3.44Å; N378-S380 WeakPolarHBondContact OD1-CA 3.42Å; N378-S380 VanDerWaalsContact OD1-CB 3.27Å; N378-S380 WeakPolarHBondContact OD1-CB 3.45Å; N378-S380 PolarHBondContact OD1-N 3.32Å; N378-S380 PolarHBondContact OD1-O 2.89Å; S380-A382 PolarHBondContact O-N 3.3Å; S380-A382 PolarHBondContact OG-N 2.93Å; S380-Q383 PolarHBondContact O-N 3.15Å; S380-Q383 PolarHBondContact OG-N 3.42Å; S380-L384 WeakPolarHBondContact O-CB 3.4Å; S380-L384 PolarHBondContact O-N 2.82Å
381K94.1Very high95.2Very high122 Ų12254.7 Ų54.753%0.5327%0.274SS..Hα-helixtrans-59.6-32.9172.9-169.8-177.4174.8-176.20112.3R385K381-R385 VanDerWaalsContact CE-NH1 3.26Å
382A93.7Very high95.2Very high75 Ų7546.6 Ų46.662%0.6224%0.238SC*.Hα-helixtrans-71.8-51.8-179.200000111.2S380 L384 R385 Q386S380-A382 PolarHBondContact O-N 3.3Å; S380-A382 PolarHBondContact OG-N 2.93Å; A382-L384 VanDerWaalsContact C-N 3.31Å; A382-L384 PolarHBondContact O-N 3.09Å; A382-R385 CarbonylContact O-C 3.26Å; A382-R385 PolarHBondContact O-N 3.39Å; A382-R385 VanDerWaalsContact O-N 3.12Å; A382-Q386 PolarHBondContact O-N 2.78Å; A382-Q386 VanDerWaalsContact O-N 3.14Å
383Q93.6Very high95.1Very high42 Ų4253.6 Ų53.620%0.19627%0.267CS..Hα-helixtrans-65.7-35.2177.9-68.5-177-23.400112.3A357 S380 R385 Q386A357-Q383 HydrophobicContact CB-CB 4.07Å; A357-Q383 HydrophobicContact CB-CG 4.34Å; S380-Q383 PolarHBondContact O-N 3.15Å; S380-Q383 PolarHBondContact OG-N 3.42Å; Q383-R385 PolarHBondContact O-N 3.09Å; Q383-R385 VanDerWaalsContact O-N 3.15Å; Q383-Q386 WeakPolarHBondContact O-CB 3.4Å; Q383-Q386 PolarHBondContact O-N 3.15Å
384L94.1Very high94.8Very high6 Ų649.6 Ų49.63%0.03125%0.254CS..Hα-helixtrans-54.3-33173.8-174.662.2000112.8A376 N378 S380 A382 F397 Q399A376-L384 HydrophobicContact CB-CD1 3.72Å; A376-L384 VanDerWaalsContact O-CD1 3.26Å; A376-L384 WeakPolarHBondContact O-CD1 3.45Å; N378-L384 HydrophobicContact CB-CB 4.03Å; N378-L384 HydrophobicContact CB-CD1 3.99Å; S380-L384 WeakPolarHBondContact O-CB 3.4Å; S380-L384 PolarHBondContact O-N 2.82Å; A382-L384 VanDerWaalsContact C-N 3.31Å; A382-L384 PolarHBondContact O-N 3.09Å; L384-F397 HydrophobicContact CD1-CD1 3.87Å; L384-F397 HydrophobicContact CD2-CB 4.1Å; L384-F397 HydrophobicContact CD2-CD1 4.37Å; L384-F397 HydrophobicContact CG-CB 4.34Å; L384-F397 HydrophobicContact CG-CD1 3.72Å; L384-F397 HydrophobicContact CG-CG 4.42Å; L384-F397 WeakPolarHBondContact O-CE1 3.38Å; L384-Q399 HydrophobicContact CD2-CB 4.08Å
385R93.7Very high94.7Very high122 Ų12252.1 Ų52.146%0.4627%0.272SS..THydrogen-bonded Turntrans-107.47.1-176.4-70.8-173.916982.9-1113.8K381 A382 Q383 N387 V388K381-R385 VanDerWaalsContact CE-NH1 3.26Å; A382-R385 CarbonylContact O-C 3.26Å; A382-R385 PolarHBondContact O-N 3.39Å; A382-R385 VanDerWaalsContact O-N 3.12Å; Q383-R385 PolarHBondContact O-N 3.09Å; Q383-R385 VanDerWaalsContact O-N 3.15Å; R385-N387 PolarHBondContact O-N 3.42Å; R385-V388 WeakPolarHBondContact O-CB 3.4Å; R385-V388 WeakPolarHBondContact O-CG2 3.48Å; R385-V388 PolarHBondContact O-N 2.89Å
386Q93.8Very high94.6Very high67 Ų6753.4 Ų53.431%0.31328%0.279SS..THydrogen-bonded Turntrans-63.3125-174.2-171168.25.300110.9A382 Q383 V388 W392A382-Q386 PolarHBondContact O-N 2.78Å; A382-Q386 VanDerWaalsContact O-N 3.14Å; Q383-Q386 WeakPolarHBondContact O-CB 3.4Å; Q383-Q386 PolarHBondContact O-N 3.15Å; Q386-V388 PolarHBondContact O-N 2.92Å; Q386-W392 PolarHBondContact O-NE1 2.96Å
387N95.8Very high94.5Very high44 Ų4456.1 Ų56.124%0.23529%0.29CS..THydrogen-bonded Turntrans59.111.5-179.1-56.4-47.2000116.3C358 Y364 R385 V390 F391C358-N387 PolarHBondContact O-ND2 3.49Å; Y364-N387 WeakPolarHBondContact O-CB 3.32Å; R385-N387 PolarHBondContact O-N 3.42Å; N387-V390 PolarHBondContact O-N 3.21Å; N387-F391 HydrophobicContact CB-CD2 3.87Å; N387-F391 HydrophobicContact CB-CE2 4.38Å; N387-F391 PolarHBondContact O-N 2.97Å
388V94Very high94.5Very high22 Ų2256 Ų5613%0.13329%0.29CS..BIsolated β-bridgetrans-61142.4174170.30000109.7R385 Q386 V390 W392 F397R385-V388 WeakPolarHBondContact O-CB 3.4Å; R385-V388 WeakPolarHBondContact O-CG2 3.48Å; R385-V388 PolarHBondContact O-N 2.89Å; Q386-V388 PolarHBondContact O-N 2.92Å; V388-V390 PolarHBondContact O-N 3.12Å; V388-V390 VanDerWaalsContact O-N 3.1Å; V388-W392 HydrophobicContact CG2-CD2 4.21Å; V388-W392 VanDerWaalsContact CG2-CE2 3.46Å; V388-W392 HydrophobicContact CG2-CH2 3.7Å; V388-W392 HydrophobicContact CG2-CZ2 3.19Å; V388-W392 HydrophobicContact CG2-CZ3 4.37Å; V388-F397 HydrophobicContact CB-CZ 4.29Å; V388-F397 HydrophobicContact CG1-CE2 4.36Å; V388-F397 HydrophobicContact CG1-CZ 3.69Å; V388-F397 HydrophobicContact CG2-CE1 3.84Å; V388-F397 HydrophobicContact CG2-CZ 3.63Å
389N92.9Very high94.5Very high125 Ų12559 Ų5967%0.66830%0.303SS*.THydrogen-bonded Turntrans64.9-0.9-176.4-57-37000115.3W392N389-W392 PolarHBondContact N-O 3.31Å
390V92.4Very high94.5Very high100 Ų10058.4 Ų58.461%0.60630%0.301SS*.THydrogen-bonded Turntrans-98.5-51.5169.8-169.40000109.8N387 V388N387-V390 PolarHBondContact O-N 3.21Å; V388-V390 PolarHBondContact O-N 3.12Å; V388-V390 VanDerWaalsContact O-N 3.1Å
391F91.4Very high94.7Very high73 Ų7357.4 Ų57.432%0.3229%0.294SS..THydrogen-bonded Turntrans-120.9-18.4-176.9-54.1-52.4000114.4Y364 R366 N387Y364-F391 VanDerWaalsContact CB-CD2 3.49Å; Y364-F391 HydrophobicContact CG-CE2 4.49Å; Y364-F391 WeakPolarHBondContact O-CB 3.42Å; Y364-F391 WeakPolarHBondContact O-CD2 3.13Å; R366-F391 HydrophobicContact CG-CB 3.76Å; R366-F391 HydrophobicContact CG-CD1 3.72Å; R366-F391 HydrophobicContact CG-CD2 4.44Å; R366-F391 HydrophobicContact CG-CG 3.7Å; R366-F391 VanDerWaalsContact CZ-CE1 3.41Å; R366-F391 VanDerWaalsContact CZ-CZ 3.45Å; N387-F391 HydrophobicContact CB-CD2 3.87Å; N387-F391 HydrophobicContact CB-CE2 4.38Å; N387-F391 PolarHBondContact O-N 2.97Å
392W95.3Very high94.8Very high16 Ų1651.6 Ų51.66%0.06127%0.269CS..BIsolated β-bridgetrans-153.3164.8-177.469.1-74.7000111.6L353 C358 L368 V374 A376 Q386 V388 N389 A394 F397L353-W392 HydrophobicContact CD1-CH2 4.02Å; L353-W392 HydrophobicContact CD1-CZ3 4.08Å; C358-W392 HydrophobicContact CB-CZ2 4.11Å; C358-W392 VanDerWaalsContact SG-CZ2 3.55Å; L368-W392 HydrophobicContact CD1-CB 3.8Å; L368-W392 HydrophobicContact CD1-CD2 4.08Å; L368-W392 HydrophobicContact CD1-CE3 4.05Å; L368-W392 HydrophobicContact CD1-CG 4Å; V374-W392 HydrophobicContact CB-CE3 4.27Å; V374-W392 HydrophobicContact CB-CZ3 4.23Å; V374-W392 HydrophobicContact CG1-CE3 3.85Å; V374-W392 HydrophobicContact CG1-CZ3 3.56Å; A376-W392 HydrophobicContact CB-CH2 3.89Å; A376-W392 HydrophobicContact CB-CZ3 4.3Å; Q386-W392 PolarHBondContact O-NE1 2.96Å; V388-W392 HydrophobicContact CG2-CD2 4.21Å; V388-W392 VanDerWaalsContact CG2-CE2 3.46Å; V388-W392 HydrophobicContact CG2-CH2 3.7Å; V388-W392 HydrophobicContact CG2-CZ2 3.19Å; V388-W392 HydrophobicContact CG2-CZ3 4.37Å; N389-W392 PolarHBondContact N-O 3.31Å; W392-A394 HydrophobicContact CH2-CB 4.34Å; W392-A394 HydrophobicContact CZ3-CB 3.74Å; W392-F397 HydrophobicContact CH2-CE1 4.02Å
393K93.5Very high95Very high158 Ų15848 Ų4869%0.68724%0.239SC*.  trans-127.8141.5176.5-66.2-178.5178.9178.30109.7V374V374-K393 WeakPolarHBondContact CB-O 3.48Å
394A93.1Very high95.2Very high25 Ų2546.2 Ų46.221%0.20723%0.231CC..  trans-96.8140.5169.500000111.1V374 W392 F397V374-A394 CarbonylContact O-C 3.53Å; V374-A394 WeakPolarHBondContact O-CA 3.22Å; W392-A394 HydrophobicContact CH2-CB 4.34Å; W392-A394 HydrophobicContact CZ3-CB 3.74Å; A394-F397 HydrophobicContact CB-CD1 3.8Å; A394-F397 HydrophobicContact CB-CD2 4.07Å; A394-F397 HydrophobicContact CB-CE1 3.31Å; A394-F397 HydrophobicContact CB-CE2 3.61Å; A394-F397 HydrophobicContact CB-CG 4.16Å; A394-F397 HydrophobicContact CB-CZ 3.18Å
395S95.4Very high95.4Very high57 Ų5746 Ų4640%0.39923%0.23SC..SBendtrans-81.5-28.9166-59.80000111.8K373 V374K373-S395 WeakPolarHBondContact CD-OG 3.28Å; V374-S395 PolarHBondContact O-N 3.34Å
396L96.1Very high95.6Very high27 Ų2740.2 Ų40.214%0.14121%0.208CC..EExtended strand (participates in β ladder)trans-146.8132.6176.5-169.363.4000110.9K279 V374 I375 A376 L398K279-L396 HydrophobicContact CB-CD2 4.16Å; V374-L396 PolarHBondContact O-N 2.98Å; I375-L396 HydrophobicContact CG1-CB 4.4Å; I375-L396 HydrophobicContact CG2-CB 4.27Å; I375-L396 HydrophobicContact CG2-CD2 4.38Å; A376-L396 PolarHBondContact N-O 3.41Å; L396-L398 HydrophobicContact CB-CD1 4.31Å; L396-L398 HydrophobicContact CD2-CD1 3.7Å; L396-L398 HydrophobicContact CD2-CD2 4.49Å; L396-L398 HydrophobicContact CD2-CG 4.29Å; L396-L398 HydrophobicContact CG-CD1 3.64Å; L396-L398 HydrophobicContact CG-CG 4.23Å
397F95.9Very high95.8Very high59 Ų5938 Ų3826%0.25920%0.198SC..EExtended strand (participates in β ladder)trans-110.4125.4172-71.4-65.1000109.8A376 L384 V388 W392 A394A376-F397 HydrophobicContact CB-CD1 4.08Å; A376-F397 HydrophobicContact CB-CE1 4.31Å; L384-F397 HydrophobicContact CD1-CD1 3.87Å; L384-F397 HydrophobicContact CD2-CB 4.1Å; L384-F397 HydrophobicContact CD2-CD1 4.37Å; L384-F397 HydrophobicContact CG-CB 4.34Å; L384-F397 HydrophobicContact CG-CD1 3.72Å; L384-F397 HydrophobicContact CG-CG 4.42Å; L384-F397 WeakPolarHBondContact O-CE1 3.38Å; V388-F397 HydrophobicContact CB-CZ 4.29Å; V388-F397 HydrophobicContact CG1-CE2 4.36Å; V388-F397 HydrophobicContact CG1-CZ 3.69Å; V388-F397 HydrophobicContact CG2-CE1 3.84Å; V388-F397 HydrophobicContact CG2-CZ 3.63Å; W392-F397 HydrophobicContact CH2-CE1 4.02Å; A394-F397 HydrophobicContact CB-CD1 3.8Å; A394-F397 HydrophobicContact CB-CD2 4.07Å; A394-F397 HydrophobicContact CB-CE1 3.31Å; A394-F397 HydrophobicContact CB-CE2 3.61Å; A394-F397 HydrophobicContact CB-CG 4.16Å; A394-F397 HydrophobicContact CB-CZ 3.18Å
398L96.7Very high95.9Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-120.9108.6176.1-57.495000109.4A272 Q276 I375 A376 I377 N378 L396 A400 F405A272-L398 HydrophobicContact CB-CD2 4.01Å; Q276-L398 HydrophobicContact CB-CD2 3.66Å; Q276-L398 HydrophobicContact CB-CG 4.41Å; Q276-L398 HydrophobicContact CG-CD2 4.41Å; I375-L398 HydrophobicContact CG2-CD1 3.5Å; I375-L398 VanDerWaalsContact CG2-CD1 3.5Å; A376-L398 PolarHBondContact O-N 3.3Å; I377-L398 WeakPolarHBondContact CA-O 3.43Å; I377-L398 HydrophobicContact CB-CB 4.29Å; I377-L398 HydrophobicContact CD1-CD1 4.27Å; I377-L398 HydrophobicContact CG1-CB 3.86Å; I377-L398 HydrophobicContact CG1-CD1 3.58Å; I377-L398 HydrophobicContact CG1-CD2 4.37Å; I377-L398 HydrophobicContact CG1-CG 4.14Å; I377-L398 HydrophobicContact CG2-CB 4.06Å; N378-L398 PolarHBondContact N-O 2.94Å; N378-L398 VanDerWaalsContact N-O 3.09Å; L396-L398 HydrophobicContact CB-CD1 4.31Å; L396-L398 HydrophobicContact CD2-CD1 3.7Å; L396-L398 HydrophobicContact CD2-CD2 4.49Å; L396-L398 HydrophobicContact CD2-CG 4.29Å; L396-L398 HydrophobicContact CG-CD1 3.64Å; L396-L398 HydrophobicContact CG-CG 4.23Å; L398-A400 VanDerWaalsContact C-N 3.31Å; L398-A400 PolarHBondContact O-N 2.69Å; L398-A400 VanDerWaalsContact O-N 3.09Å; L398-F405 HydrophobicContact CD2-CD2 3.78Å; L398-F405 HydrophobicContact CD2-CE2 3.46Å; L398-F405 VanDerWaalsContact CD2-CE2 3.46Å; L398-F405 HydrophobicContact CD2-CZ 4.16Å
399Q96.8Very high96.1Very high64 Ų6437.1 Ų37.130%0.29919%0.191SC..  trans-82.283.2168.4-167.2-1695.400109.3K270 N378 R379 L384K270-Q399 WeakPolarHBondContact CB-O 2.98Å; K270-Q399 HydrophobicContact CD-CG 4.29Å; N378-Q399 WeakPolarHBondContact O-CA 3.47Å; R379-Q399 WeakPolarHBondContact O-CG 3.3Å; R379-Q399 PolarHBondContact O-NE2 2.89Å; L384-Q399 HydrophobicContact CD2-CB 4.08Å
400A97.6Very high96.3Very high1 Ų131.3 Ų31.31%0.00816%0.16CC..SBendtrans-150166.5-176.100000110.9K270 A272 I377 N378 R379 L398K270-A400 CarbonylContact O-C 3.54Å; K270-A400 VanDerWaalsContact O-CA 3.31Å; K270-A400 WeakPolarHBondContact O-CA 3.29Å; A272-A400 HydrophobicContact CB-CB 3.98Å; A272-A400 VanDerWaalsContact N-CB 3.34Å; I377-A400 HydrophobicContact CG2-CB 4.32Å; N378-A400 CarbonylContact C-O 3.54Å; N378-A400 PolarHBondContact O-N 2.96Å; R379-A400 PolarHBondContact N-O 3.46Å; L398-A400 VanDerWaalsContact C-N 3.31Å; L398-A400 PolarHBondContact O-N 2.69Å; L398-A400 VanDerWaalsContact O-N 3.09Å
401D97.7Very high96.5Very high0 Ų031.1 Ų31.10%016%0.156CC..  trans-64.1132.6167.5-177.6-102.9000111.8Y269 K270 L301 R379 C403 D404 F405Y269-D401 HydrophobicContact CD2-CB 3.71Å; Y269-D401 HydrophobicContact CE2-CB 4.02Å; K270-D401 PolarHBondContact O-N 3.38Å; L301-D401 WeakPolarHBondContact CD1-OD1 3.46Å; R379-D401 HydrophobicContact CG-CB 4.44Å; R379-D401 IonicContact CZ-OD2 3.69Å; R379-D401 IonicContact NE-OD2 3.73Å; R379-D401 PolarHBondContact NE-OD2 2.84Å; R379-D401 IonicContact NH2-OD2 3.56Å; R379-D401 PolarHBondContact NH2-OD2 3.33Å; D401-C403 WeakPolarHBondContact OD1-CA 3.36Å; D401-C403 VanDerWaalsContact OD1-CB 3.3Å; D401-C403 WeakPolarHBondContact OD1-CB 3.41Å; D401-C403 PolarHBondContact OD1-N 2.82Å; D401-D404 HydrophobicContact CB-CB 4.23Å; D401-D404 PolarHBondContact OD1-N 3.27Å; D401-F405 VanDerWaalsContact O-CB 3.23Å; D401-F405 WeakPolarHBondContact O-CB 3.49Å; D401-F405 PolarHBondContact O-N 2.9Å; D401-F405 VanDerWaalsContact O-N 3.16Å
402A97.8Very high96.8Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-74.2-36.7-175.700000112.7A298 A354 F405 I406A298-A402 HydrophobicContact CB-CB 4.2Å; A354-A402 HydrophobicContact CB-CB 4.44Å; A402-F405 PolarHBondContact O-N 3.24Å; A402-I406 VanDerWaalsContact O-CG1 3.28Å; A402-I406 WeakPolarHBondContact O-CG1 3.41Å; A402-I406 PolarHBondContact O-N 2.89Å
403C97.7Very high96.8Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-64.6-55.5178.61770000110.6A298 L301 L308 D401 F405 I406 I407A298-C403 WeakPolarHBondContact O-CB 3.47Å; L301-C403 HydrophobicContact CD1-CB 4.21Å; L308-C403 HydrophobicContact CD2-CB 4.41Å; D401-C403 WeakPolarHBondContact OD1-CA 3.36Å; D401-C403 VanDerWaalsContact OD1-CB 3.3Å; D401-C403 WeakPolarHBondContact OD1-CB 3.41Å; D401-C403 PolarHBondContact OD1-N 2.82Å; C403-F405 PolarHBondContact O-N 2.77Å; C403-I406 PolarHBondContact O-N 2.92Å; C403-I406 VanDerWaalsContact O-N 3.13Å; C403-I407 WeakPolarHBondContact O-CG1 3.36Å; C403-I407 PolarHBondContact O-N 3.5Å; C403-I407 VanDerWaalsContact O-N 3.09Å
404D97.3Very high96.8Very high5 Ų524.8 Ų24.83%0.02714%0.142CC..Hα-helixtrans-58.5-36178.3-108.18.6000111.9Y269 K271 R304 D401 Q408Y269-D404 PolarHBondContact OH-OD2 3.28Å; K271-D404 WeakPolarHBondContact CD-OD2 3.31Å; K271-D404 WeakPolarHBondContact CE-OD2 3.48Å; K271-D404 IonicContact NZ-OD2 3.36Å; K271-D404 PolarHBondContact NZ-OD2 2.84Å; R304-D404 IonicContact CZ-OD1 3.5Å; R304-D404 IonicContact NH1-OD1 3.8Å; R304-D404 PolarHBondContact NH1-OD1 2.86Å; D401-D404 HydrophobicContact CB-CB 4.23Å; D401-D404 PolarHBondContact OD1-N 3.27Å; D404-Q408 VanDerWaalsContact O-CG 3.26Å; D404-Q408 WeakPolarHBondContact O-CG 3.29Å; D404-Q408 PolarHBondContact O-N 3.1Å; D404-Q408 VanDerWaalsContact O-N 3.11Å; D404-Q408 PolarHBondContact O-NE2 2.95Å; D404-Q408 VanDerWaalsContact O-NE2 3.14Å
405F98.2Very high96.7Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-66.2-46.1175.9168.9-101.8000112.8A272 V277 C280 I377 L398 D401 A402 C403 I407 Q408 L409A272-F405 HydrophobicContact CB-CD2 3.77Å; V277-F405 HydrophobicContact CG2-CD2 4.18Å; V277-F405 HydrophobicContact CG2-CE2 4.25Å; C280-F405 HydrophobicContact CB-CE2 4.29Å; C280-F405 HydrophobicContact CB-CZ 3.87Å; I377-F405 HydrophobicContact CB-CD1 4.31Å; I377-F405 HydrophobicContact CD1-CD1 3.7Å; I377-F405 HydrophobicContact CD1-CE1 3.31Å; I377-F405 HydrophobicContact CD1-CZ 3.97Å; I377-F405 HydrophobicContact CG1-CD1 3.63Å; I377-F405 HydrophobicContact CG1-CE1 3.61Å; I377-F405 HydrophobicContact CG1-CG 4.11Å; I377-F405 HydrophobicContact CG1-CZ 4.06Å; I377-F405 HydrophobicContact CG2-CB 4.12Å; I377-F405 HydrophobicContact CG2-CD1 4.23Å; I377-F405 HydrophobicContact CG2-CG 4.15Å; L398-F405 HydrophobicContact CD2-CD2 3.78Å; L398-F405 HydrophobicContact CD2-CE2 3.46Å; L398-F405 VanDerWaalsContact CD2-CE2 3.46Å; L398-F405 HydrophobicContact CD2-CZ 4.16Å; D401-F405 VanDerWaalsContact O-CB 3.23Å; D401-F405 WeakPolarHBondContact O-CB 3.49Å; D401-F405 PolarHBondContact O-N 2.9Å; D401-F405 VanDerWaalsContact O-N 3.16Å; A402-F405 PolarHBondContact O-N 3.24Å; C403-F405 PolarHBondContact O-N 2.77Å; F405-I407 VanDerWaalsContact C-N 3.29Å; F405-I407 PolarHBondContact O-N 3.26Å; F405-Q408 PolarHBondContact O-N 3.4Å; F405-L409 HydrophobicContact CE1-CD2 4.06Å; F405-L409 HydrophobicContact CZ-CD2 4.15Å; F405-L409 WeakPolarHBondContact O-CB 3.4Å; F405-L409 PolarHBondContact O-N 3.44Å
406I98.3Very high96.7Very high2 Ų229.3 Ų29.31%0.0116%0.16CC..Hα-helixtrans-63.8-38.8-179.7-69.7-66.1000110.7L308 A311 L312 I315 A354 A402 C403 L409 A410L308-I406 HydrophobicContact CD1-CB 3.69Å; L308-I406 HydrophobicContact CD1-CG1 4.28Å; L308-I406 HydrophobicContact CD1-CG2 3.52Å; A311-I406 HydrophobicContact CB-CG2 4.09Å; L312-I406 HydrophobicContact CD2-CG2 3.81Å; L312-I406 HydrophobicContact CG-CG2 3.97Å; I315-I406 HydrophobicContact CD1-CG2 3.85Å; A354-I406 HydrophobicContact CB-CD1 4.24Å; A354-I406 HydrophobicContact CB-CG1 4.32Å; A402-I406 VanDerWaalsContact O-CG1 3.28Å; A402-I406 WeakPolarHBondContact O-CG1 3.41Å; A402-I406 PolarHBondContact O-N 2.89Å; C403-I406 PolarHBondContact O-N 2.92Å; C403-I406 VanDerWaalsContact O-N 3.13Å; I406-L409 PolarHBondContact O-N 3.43Å; I406-A410 PolarHBondContact O-N 2.99Å
407I98.1Very high96.4Very high19 Ų1933.3 Ų33.310%0.09720%0.197CC..Hα-helixtrans-61.6-50.4175.3-64.2167.6000110.5R304 D307 A311 C403 F405 L409 A410 D411R304-I407 VanDerWaalsContact NH2-CD1 3.32Å; D307-I407 HydrophobicContact CB-CD1 3.62Å; D307-I407 HydrophobicContact CB-CG1 4.26Å; A311-I407 HydrophobicContact CB-CB 4.42Å; A311-I407 HydrophobicContact CB-CG1 4Å; C403-I407 WeakPolarHBondContact O-CG1 3.36Å; C403-I407 PolarHBondContact O-N 3.5Å; C403-I407 VanDerWaalsContact O-N 3.09Å; F405-I407 VanDerWaalsContact C-N 3.29Å; F405-I407 PolarHBondContact O-N 3.26Å; I407-L409 VanDerWaalsContact C-N 3.27Å; I407-L409 PolarHBondContact O-N 2.88Å; I407-A410 WeakPolarHBondContact O-CB 3.17Å; I407-A410 PolarHBondContact O-N 2.78Å; I407-A410 VanDerWaalsContact O-N 3.17Å; I407-D411 PolarHBondContact O-N 3.16Å; I407-D411 VanDerWaalsContact O-N 3.1Å
408Q97.9Very high96.1Very high49 Ų4935.9 Ų35.923%0.22922%0.218CC..Hα-helixtrans-61.8-34.1176.4-71.1167.249.500113.1A272 V277 D404 F405 S412A272-Q408 PolarHBondContact O-OE1 3.24Å; V277-Q408 HydrophobicContact CG1-CB 4.28Å; V277-Q408 HydrophobicContact CG2-CB 4.06Å; D404-Q408 VanDerWaalsContact O-CG 3.26Å; D404-Q408 WeakPolarHBondContact O-CG 3.29Å; D404-Q408 PolarHBondContact O-N 3.1Å; D404-Q408 VanDerWaalsContact O-N 3.11Å; D404-Q408 PolarHBondContact O-NE2 2.95Å; D404-Q408 VanDerWaalsContact O-NE2 3.14Å; F405-Q408 PolarHBondContact O-N 3.4Å; Q408-S412 PolarHBondContact O-N 3.26Å
409L98.1Very high96Very high0 Ų037.5 Ų37.50%022%0.224CC..Hα-helixtrans-66.6-42.8176.7179.159.9000110.8C280 C281 I315 I352 F405 I406 I407 S412 I413C280-L409 HydrophobicContact CB-CD1 4.15Å; C281-L409 HydrophobicContact CB-CD1 4.17Å; I315-L409 HydrophobicContact CD1-CB 4.38Å; I315-L409 HydrophobicContact CD1-CD2 4.16Å; I315-L409 HydrophobicContact CD1-CG 4.16Å; I352-L409 HydrophobicContact CD1-CD2 4.16Å; F405-L409 HydrophobicContact CE1-CD2 4.06Å; F405-L409 HydrophobicContact CZ-CD2 4.15Å; F405-L409 WeakPolarHBondContact O-CB 3.4Å; F405-L409 PolarHBondContact O-N 3.44Å; I406-L409 PolarHBondContact O-N 3.43Å; I407-L409 VanDerWaalsContact C-N 3.27Å; I407-L409 PolarHBondContact O-N 2.88Å; L409-S412 PolarHBondContact O-N 2.79Å; L409-I413 HydrophobicContact CD1-CD1 3.69Å; L409-I413 HydrophobicContact CD1-CG1 4.2Å; L409-I413 HydrophobicContact CD2-CD1 4.37Å; L409-I413 HydrophobicContact CG-CD1 3.58Å; L409-I413 WeakPolarHBondContact O-CB 3.29Å; L409-I413 WeakPolarHBondContact O-CD1 3.23Å; L409-I413 WeakPolarHBondContact O-CG1 3.47Å; L409-I413 PolarHBondContact O-N 3.43Å
410A97.7Very high95.8Very high2 Ų238.1 Ų38.12%0.01724%0.24CC..Hα-helixtrans-61.1-42.4175.300000112.4A311 V314 I315 I406 I407 S412 I413 S414A311-A410 HydrophobicContact CB-CB 3.6Å; A311-A410 WeakPolarHBondContact O-CB 3.3Å; V314-A410 HydrophobicContact CB-CB 4.13Å; V314-A410 HydrophobicContact CG1-CB 4.03Å; I315-A410 HydrophobicContact CD1-CB 4.11Å; I315-A410 HydrophobicContact CG1-CB 3.93Å; I406-A410 PolarHBondContact O-N 2.99Å; I407-A410 WeakPolarHBondContact O-CB 3.17Å; I407-A410 PolarHBondContact O-N 2.78Å; I407-A410 VanDerWaalsContact O-N 3.17Å; A410-S412 VanDerWaalsContact C-N 3.33Å; A410-S412 PolarHBondContact O-N 2.91Å; A410-I413 PolarHBondContact O-N 2.96Å; A410-S414 PolarHBondContact O-N 2.86Å; A410-S414 PolarHBondContact O-OG 3.24Å
411D96.9Very high95.6Very high97 Ų9743 Ų4352%0.51926%0.261SS..Hα-helixtrans-61-43.4174.1-64.5-23.6000111.2I407 N415I407-D411 PolarHBondContact O-N 3.16Å; I407-D411 VanDerWaalsContact O-N 3.1Å; D411-N415 PolarHBondContact O-ND2 3.45Å
412S96.9Very high95.5Very high29 Ų2943.6 Ų43.620%0.20327%0.265CS..Hα-helixtrans-66-38.8178.2-171.50000112.4Q408 L409 A410 N415Q408-S412 PolarHBondContact O-N 3.26Å; L409-S412 PolarHBondContact O-N 2.79Å; A410-S412 VanDerWaalsContact C-N 3.33Å; A410-S412 PolarHBondContact O-N 2.91Å; S412-N415 PolarHBondContact O-N 3.34Å
413I95Very high95.3Very high5 Ų549.6 Ų49.63%0.02629%0.293CS..Hα-helixtrans-72.1-38.1-178.3-76.9156.3000112L284 I315 L409 A410 N415 V416 Y419L284-I413 HydrophobicContact CD2-CD1 3.29Å; L284-I413 HydrophobicContact CD2-CG1 4.17Å; I315-I413 HydrophobicContact CD1-CD1 4.49Å; I315-I413 HydrophobicContact CG1-CD1 3.79Å; I315-I413 HydrophobicContact CG2-CD1 4.42Å; L409-I413 HydrophobicContact CD1-CD1 3.69Å; L409-I413 HydrophobicContact CD1-CG1 4.2Å; L409-I413 HydrophobicContact CD2-CD1 4.37Å; L409-I413 HydrophobicContact CG-CD1 3.58Å; L409-I413 WeakPolarHBondContact O-CB 3.29Å; L409-I413 WeakPolarHBondContact O-CD1 3.23Å; L409-I413 WeakPolarHBondContact O-CG1 3.47Å; L409-I413 PolarHBondContact O-N 3.43Å; A410-I413 PolarHBondContact O-N 2.96Å; I413-N415 PolarHBondContact O-N 3.2Å; I413-V416 PolarHBondContact O-N 3.29Å; I413-Y419 HydrophobicContact CG2-CD1 3.3Å; I413-Y419 HydrophobicContact CG2-CE1 3.53Å; I413-Y419 HydrophobicContact CG2-CG 3.87Å
414S93.6Very high95.2Very high79 Ų7956.1 Ų56.155%0.55233%0.328SS*.Hα-helixtrans-56.6-23.9177.2-60.70000112.9V314 A410V314-S414 WeakPolarHBondContact CG1-OG 3.36Å; A410-S414 PolarHBondContact O-N 2.86Å; A410-S414 PolarHBondContact O-OG 3.24Å
415N91.5Very high95.2Very high139 Ų13956 Ų5674%0.74333%0.327SS*.THydrogen-bonded Turntrans-90.81178.7-67.7-58.2000114D411 S412 I413D411-N415 PolarHBondContact O-ND2 3.45Å; S412-N415 PolarHBondContact O-N 3.34Å; I413-N415 PolarHBondContact O-N 3.2Å
416V94.1Very high95.1Very high38 Ų3856.5 Ų56.523%0.2333%0.331CS..  trans-104.897.2-177.8-178.90000110.1T285 I413 T418 Y419T285-V416 HydrophobicContact CG2-CG1 3.89Å; I413-V416 PolarHBondContact O-N 3.29Å; V416-T418 WeakPolarHBondContact CG1-OG1 3.49Å; V416-T418 PolarHBondContact O-N 2.91Å; V416-T418 VanDerWaalsContact O-N 3.13Å; V416-Y419 WeakPolarHBondContact O-CB 3.5Å; V416-Y419 PolarHBondContact O-N 3.15Å
417A90.9Very high94.9Very high111 Ų11160.1 Ų60.192%0.91736%0.356SS*.THydrogen-bonded Turntrans-59.3-26.5-179.200000114Y419A417-Y419 VanDerWaalsContact C-N 3.29Å; A417-Y419 PolarHBondContact O-N 3.11Å
418T89.6Confident94.9Very high113 Ų11364.8 Ų64.869%0.69337%0.372SS*.THydrogen-bonded Turntrans-840.517961.20000113.6V416 A420V416-T418 WeakPolarHBondContact CG1-OG1 3.49Å; V416-T418 PolarHBondContact O-N 2.91Å; V416-T418 VanDerWaalsContact O-N 3.13Å; T418-A420 PolarHBondContact O-N 3.39Å; T418-A420 VanDerWaalsContact O-N 3.16Å
419Y94.4Very high94.8Very high34 Ų3462.5 Ų62.513%0.13336%0.361CS..  trans-73.1107.8179.9178.6-121.8000110.5L284 I315 I413 V416 A417 K421L284-Y419 HydrophobicContact CD2-CE2 4.22Å; L284-Y419 HydrophobicContact CG-CE2 4.06Å; I315-Y419 WeakPolarHBondContact O-CE1 3.27Å; I315-Y419 PolarHBondContact O-OH 2.81Å; I413-Y419 HydrophobicContact CG2-CD1 3.3Å; I413-Y419 HydrophobicContact CG2-CE1 3.53Å; I413-Y419 HydrophobicContact CG2-CG 3.87Å; V416-Y419 WeakPolarHBondContact O-CB 3.5Å; V416-Y419 PolarHBondContact O-N 3.15Å; A417-Y419 VanDerWaalsContact C-N 3.29Å; A417-Y419 PolarHBondContact O-N 3.11Å; Y419-K421 HydrophobicContact CE1-CG 4.14Å
420A92.9Very high94.6Very high78 Ų7864.9 Ų64.965%0.64537%0.372SS*.  trans-89.5123.7170.200000109.7T418T418-A420 PolarHBondContact O-N 3.39Å; T418-A420 VanDerWaalsContact O-N 3.16Å
421K93.9Very high94.6Very high103 Ų10369.3 Ų69.345%0.44840%0.399SS..  trans-63.5138.6173.3-69.5173.7175.2-1780109.6N316 Y419 E423N316-K421 HydrophobicContact CB-CD 3.96Å; N316-K421 HydrophobicContact CB-CG 4.01Å; Y419-K421 HydrophobicContact CE1-CG 4.14Å; K421-E423 HydrophobicContact CB-CG 4.1Å; K421-E423 PolarHBondContact O-N 3.26Å
422P94.9Very high94.5Very high13 Ų1367.8 Ų67.88%0.08439%0.386CS..  trans-80.453-174.636.6-40.9000112.3P290 N316 V317 D424 W425 S426P290-P422 HydrophobicContact CG-CB 3.91Å; P290-P422 HydrophobicContact CG-CG 3.75Å; N316-P422 WeakPolarHBondContact O-CD 3.28Å; V317-P422 HydrophobicContact CG2-CG 4.35Å; P422-D424 PolarHBondContact O-N 2.84Å; P422-W425 HydrophobicContact CB-CB 4.17Å; P422-W425 WeakPolarHBondContact O-CB 3.46Å; P422-W425 PolarHBondContact O-N 3.22Å; P422-S426 PolarHBondContact O-N 3.04Å; P422-S426 PolarHBondContact O-OG 3.31Å
423E93.8Very high94.4Very high125 Ų12567 Ų6758%0.58438%0.379SS*.Hα-helixtrans-60.4-43.5-170.8-68.8174.7-178.600113K421 W425 S426 C427K421-E423 HydrophobicContact CB-CG 4.1Å; K421-E423 PolarHBondContact O-N 3.26Å; E423-W425 VanDerWaalsContact C-N 3.26Å; E423-W425 PolarHBondContact O-N 3.11Å; E423-S426 PolarHBondContact O-N 3.34Å; E423-C427 WeakPolarHBondContact O-CB 3.06Å; E423-C427 PolarHBondContact O-N 2.92Å
424D95.2Very high94.4Very high138 Ų13871.9 Ų71.974%0.73840%0.402SS*.Hα-helixtrans-59.9-37174.8-69.6-16.4000112.4P422 R428P422-D424 PolarHBondContact O-N 2.84Å; D424-R428 VanDerWaalsContact O-CG 3.31Å; D424-R428 WeakPolarHBondContact O-CG 3.49Å; D424-R428 PolarHBondContact O-N 3.4Å; D424-R428 VanDerWaalsContact O-N 3.16Å; D424-R428 PolarHBondContact O-NE 2.92Å
425W96.8Very high94.5Very high2 Ų272.5 Ų72.51%0.00840%0.396CS..Hα-helixtrans-72.1-45.2177.4174.4-130.3000111.5Q289 P290 E347 P422 E423 C427 R428 L429Q289-W425 HydrophobicContact CB-CD2 4.08Å; Q289-W425 HydrophobicContact CB-CG 4.23Å; Q289-W425 HydrophobicContact CB-CZ2 4.4Å; Q289-W425 HydrophobicContact CG-CD2 4.15Å; Q289-W425 HydrophobicContact CG-CE3 4.38Å; Q289-W425 HydrophobicContact CG-CG 4.3Å; P290-W425 VanDerWaalsContact O-CD1 3.24Å; P290-W425 PolarHBondContact O-NE1 3.5Å; E347-W425 HydrophobicContact CB-CH2 3.72Å; E347-W425 HydrophobicContact CB-CZ3 4.38Å; E347-W425 VanDerWaalsContact OE2-CH2 3.32Å; E347-W425 WeakPolarHBondContact OE2-CH2 3.43Å; E347-W425 WeakPolarHBondContact OE2-CZ3 3.21Å; P422-W425 HydrophobicContact CB-CB 4.17Å; P422-W425 WeakPolarHBondContact O-CB 3.46Å; P422-W425 PolarHBondContact O-N 3.22Å; E423-W425 VanDerWaalsContact C-N 3.26Å; E423-W425 PolarHBondContact O-N 3.11Å; W425-C427 VanDerWaalsContact C-N 3.32Å; W425-C427 PolarHBondContact O-N 3.07Å; W425-R428 HydrophobicContact CE3-CB 4.39Å; W425-R428 PolarHBondContact O-N 3.03Å; W425-L429 HydrophobicContact CD2-CD1 4.14Å; W425-L429 HydrophobicContact CD2-CG 4.02Å; W425-L429 HydrophobicContact CE3-CD2 4.27Å; W425-L429 HydrophobicContact CE3-CG 3.99Å; W425-L429 HydrophobicContact CH2-CD1 4.23Å; W425-L429 HydrophobicContact CH2-CD2 3.46Å; W425-L429 VanDerWaalsContact CH2-CD2 3.46Å; W425-L429 HydrophobicContact CH2-CG 3.93Å; W425-L429 HydrophobicContact CZ2-CD1 3.68Å; W425-L429 HydrophobicContact CZ2-CD2 3.78Å; W425-L429 HydrophobicContact CZ2-CG 3.88Å; W425-L429 HydrophobicContact CZ3-CD2 3.72Å; W425-L429 HydrophobicContact CZ3-CG 3.97Å; W425-L429 PolarHBondContact O-N 3.08Å
426S95.6Very high94.6Very high10 Ų1066.2 Ų66.27%0.0736%0.364CS..Hα-helixtrans-57.1-45174.7-59.50000111.8P318 P422 E423 L429 K430P318-S426 WeakPolarHBondContact CD-OG 3.49Å; P318-S426 VanDerWaalsContact CG-OG 3.26Å; P318-S426 WeakPolarHBondContact CG-OG 3.38Å; P422-S426 PolarHBondContact O-N 3.04Å; P422-S426 PolarHBondContact O-OG 3.31Å; E423-S426 PolarHBondContact O-N 3.34Å; S426-L429 PolarHBondContact O-N 2.91Å; S426-K430 WeakPolarHBondContact O-CB 3.34Å; S426-K430 WeakPolarHBondContact O-CG 3.41Å; S426-K430 PolarHBondContact O-N 3.01Å
427C95.6Very high94.6Very high79 Ų7965.3 Ų65.353%0.53436%0.357SS..Hα-helixtrans-60.6-48.8177.3-174.60000111.5E423 W425 L429 K430 T431E423-C427 WeakPolarHBondContact O-CB 3.06Å; E423-C427 PolarHBondContact O-N 2.92Å; W425-C427 VanDerWaalsContact C-N 3.32Å; W425-C427 PolarHBondContact O-N 3.07Å; C427-L429 PolarHBondContact O-N 2.85Å; C427-K430 PolarHBondContact O-N 2.91Å; C427-K430 VanDerWaalsContact O-N 3.1Å; C427-T431 PolarHBondContact O-N 3.1Å; C427-T431 PolarHBondContact O-OG1 3.11Å
428R96.6Very high94.8Very high117 Ų11764 Ų6444%0.44233%0.332SS..Hα-helixtrans-58-44.2177.2-75.6-173.8-62.6148.32.4112.9D424 W425 K430 R432D424-R428 VanDerWaalsContact O-CG 3.31Å; D424-R428 WeakPolarHBondContact O-CG 3.49Å; D424-R428 PolarHBondContact O-N 3.4Å; D424-R428 VanDerWaalsContact O-N 3.16Å; D424-R428 PolarHBondContact O-NE 2.92Å; W425-R428 HydrophobicContact CE3-CB 4.39Å; W425-R428 PolarHBondContact O-N 3.03Å; R428-K430 VanDerWaalsContact C-N 3.33Å; R428-R432 PolarHBondContact O-N 3.01Å
429L96.7Very high94.9Very high1 Ų160.8 Ų60.81%0.00531%0.31CS..Hα-helixtrans-65.5-38.1176.7-70.1-173.7000111.8L291 P318 I337 A344 W425 S426 C427 R432 D433L291-L429 HydrophobicContact CD1-CD1 4.04Å; P318-L429 HydrophobicContact CB-CD1 3.67Å; P318-L429 HydrophobicContact CG-CD1 3.97Å; I337-L429 HydrophobicContact CD1-CB 3.93Å; I337-L429 HydrophobicContact CG1-CB 4.18Å; I337-L429 HydrophobicContact CG1-CD1 4.39Å; A344-L429 HydrophobicContact CB-CD1 4.4Å; A344-L429 HydrophobicContact CB-CD2 3.67Å; W425-L429 HydrophobicContact CD2-CD1 4.14Å; W425-L429 HydrophobicContact CD2-CG 4.02Å; W425-L429 HydrophobicContact CE3-CD2 4.27Å; W425-L429 HydrophobicContact CE3-CG 3.99Å; W425-L429 HydrophobicContact CH2-CD1 4.23Å; W425-L429 HydrophobicContact CH2-CD2 3.46Å; W425-L429 VanDerWaalsContact CH2-CD2 3.46Å; W425-L429 HydrophobicContact CH2-CG 3.93Å; W425-L429 HydrophobicContact CZ2-CD1 3.68Å; W425-L429 HydrophobicContact CZ2-CD2 3.78Å; W425-L429 HydrophobicContact CZ2-CG 3.88Å; W425-L429 HydrophobicContact CZ3-CD2 3.72Å; W425-L429 HydrophobicContact CZ3-CG 3.97Å; W425-L429 PolarHBondContact O-N 3.08Å; S426-L429 PolarHBondContact O-N 2.91Å; C427-L429 PolarHBondContact O-N 2.85Å; L429-R432 WeakPolarHBondContact O-CB 3.33Å; L429-R432 PolarHBondContact O-N 3Å; L429-D433 WeakPolarHBondContact O-CB 3.16Å; L429-D433 PolarHBondContact O-N 2.83Å
430K94.8Very high94.8Very high50 Ų5059.6 Ų59.622%0.21731%0.306CS..Hα-helixtrans-67-42.9178.1-82.9-72.9167.5-160.60113.7P334 Q336 I337 S426 C427 R428 R432 D433 Q434P334-K430 HydrophobicContact CB-CD 4.39Å; P334-K430 HydrophobicContact CB-CG 4.16Å; P334-K430 WeakPolarHBondContact O-CE 3.42Å; Q336-K430 WeakPolarHBondContact O-CE 3.48Å; Q336-K430 PolarHBondContact O-NZ 2.65Å; I337-K430 HydrophobicContact CD1-CD 3.88Å; I337-K430 VanDerWaalsContact CD1-CE 3.47Å; I337-K430 HydrophobicContact CD1-CG 3.87Å; S426-K430 WeakPolarHBondContact O-CB 3.34Å; S426-K430 WeakPolarHBondContact O-CG 3.41Å; S426-K430 PolarHBondContact O-N 3.01Å; C427-K430 PolarHBondContact O-N 2.91Å; C427-K430 VanDerWaalsContact O-N 3.1Å; R428-K430 VanDerWaalsContact C-N 3.33Å; K430-R432 PolarHBondContact O-N 3.16Å; K430-D433 IonicContact NZ-OD2 3.8Å; K430-D433 PolarHBondContact NZ-OD2 3.31Å; K430-D433 WeakPolarHBondContact O-CB 3.32Å; K430-D433 PolarHBondContact O-N 3.33Å; K430-Q434 WeakPolarHBondContact O-CB 3.42Å; K430-Q434 PolarHBondContact O-N 3.12Å
431T96.2Very high94.8Very high95 Ų9558.1 Ų58.158%0.58329%0.291SS*.Hα-helixtrans-58-41.6173.2-55.30000111.1C427 Q434 Q435C427-T431 PolarHBondContact O-N 3.1Å; C427-T431 PolarHBondContact O-OG1 3.11Å; T431-Q434 PolarHBondContact O-N 3.28Å; T431-Q435 PolarHBondContact O-N 3.3Å
432R95.8Very high94.7Very high65 Ų6560.9 Ų60.925%0.24530%0.299CS..Hα-helixtrans-67-39.5177.2-177.7-174.6-61.9157-4.5112.8K340 E347 R428 L429 K430 Q435 A436K340-R432 HydrophobicContact CB-CG 3.87Å; K340-R432 HydrophobicContact CG-CG 3.76Å; E347-R432 VanDerWaalsContact CD-NH2 3.25Å; E347-R432 IonicContact OE1-CZ 3.5Å; E347-R432 IonicContact OE1-NH1 2.73Å; E347-R432 IonicContact OE1-NH2 3.37Å; E347-R432 PolarHBondContact OE1-NH2 2.8Å; E347-R432 IonicContact OE2-CZ 2.73Å; E347-R432 IonicContact OE2-NH1 2.94Å; E347-R432 PolarHBondContact OE2-NH1 3.3Å; E347-R432 IonicContact OE2-NH2 3.5Å; E347-R432 PolarHBondContact OE2-NH2 3.38Å; R428-R432 PolarHBondContact O-N 3.01Å; L429-R432 WeakPolarHBondContact O-CB 3.33Å; L429-R432 PolarHBondContact O-N 3Å; K430-R432 PolarHBondContact O-N 3.16Å; R432-Q435 PolarHBondContact O-N 3.15Å; R432-A436 PolarHBondContact O-N 2.9Å; R432-A436 VanDerWaalsContact O-N 3.15Å
433D94.9Very high94.5Very high13 Ų1363.7 Ų63.77%0.0731%0.312CS..Hα-helixtrans-61.3-46.7175.5-16243.5000110.8I337 L338 H339 L429 K430 A436 E437I337-D433 HydrophobicContact CG2-CB 3.99Å; L338-D433 PolarHBondContact N-OD1 3.11Å; H339-D433 WeakPolarHBondContact CB-OD1 3.3Å; H339-D433 IonicContact CD2-OD1 2.92Å; H339-D433 PolarHBondContact CD2-OD1 3.22Å; H339-D433 IonicContact CG-OD1 2.99Å; H339-D433 PolarHBondContact N-OD1 3.32Å; L429-D433 WeakPolarHBondContact O-CB 3.16Å; L429-D433 PolarHBondContact O-N 2.83Å; K430-D433 IonicContact NZ-OD2 3.8Å; K430-D433 PolarHBondContact NZ-OD2 3.31Å; K430-D433 WeakPolarHBondContact O-CB 3.32Å; K430-D433 PolarHBondContact O-N 3.33Å; D433-A436 WeakPolarHBondContact O-CB 3.47Å; D433-A436 PolarHBondContact O-N 3.44Å; D433-E437 PolarHBondContact O-N 3.21Å; D433-E437 VanDerWaalsContact O-N 3.09Å
434Q94.5Very high94.2Very high107 Ų10758.5 Ų58.550%0.529%0.291SS..Hα-helixtrans-62.8-42.7176.7-178.359.231.600112.2K430 T431 A436 E437 E438K430-Q434 WeakPolarHBondContact O-CB 3.42Å; K430-Q434 PolarHBondContact O-N 3.12Å; T431-Q434 PolarHBondContact O-N 3.28Å; Q434-A436 VanDerWaalsContact C-N 3.26Å; Q434-A436 PolarHBondContact O-N 3.22Å; Q434-E437 WeakPolarHBondContact O-CB 3.35Å; Q434-E437 PolarHBondContact O-N 3.3Å; Q434-E437 VanDerWaalsContact O-N 3.14Å; Q434-E438 PolarHBondContact NE2-OE1 3.22Å; Q434-E438 WeakPolarHBondContact O-CG 3.36Å; Q434-E438 PolarHBondContact O-N 3.19Å
435Q96.3Very high93.9Very high92 Ų9260.7 Ų60.743%0.4329%0.294SS..Hα-helixtrans-59.2-38.9174.9-1756273.300111.8T431 R432 E438 D439T431-Q435 PolarHBondContact O-N 3.3Å; R432-Q435 PolarHBondContact O-N 3.15Å; Q435-E438 PolarHBondContact NE2-OE2 2.83Å; Q435-E438 PolarHBondContact O-N 3.1Å; Q435-D439 PolarHBondContact NE2-OD1 3.01Å; Q435-D439 PolarHBondContact O-N 3.1Å
436A93.8Very high93.3Very high7 Ų763.8 Ų63.86%0.05831%0.313CS..Hα-helixtrans-67-38.1176.600000112.2H339 K340 R432 D433 Q434 E438 D439 I440H339-A436 HydrophobicContact CB-CB 3.52Å; K340-A436 HydrophobicContact CG-CB 4.27Å; R432-A436 PolarHBondContact O-N 2.9Å; R432-A436 VanDerWaalsContact O-N 3.15Å; D433-A436 WeakPolarHBondContact O-CB 3.47Å; D433-A436 PolarHBondContact O-N 3.44Å; Q434-A436 VanDerWaalsContact C-N 3.26Å; Q434-A436 PolarHBondContact O-N 3.22Å; A436-E438 VanDerWaalsContact C-N 3.33Å; A436-E438 PolarHBondContact O-N 3.33Å; A436-D439 WeakPolarHBondContact O-CB 3.37Å; A436-D439 PolarHBondContact O-N 3.45Å; A436-I440 VanDerWaalsContact O-CG1 3.24Å; A436-I440 WeakPolarHBondContact O-CG1 3.41Å; A436-I440 PolarHBondContact O-N 3.22Å
437E93.3Very high92.6Very high19 Ų1970.7 Ų70.79%0.08935%0.349CS..Hα-helixtrans-62.8-38.5173.3-76.6-67.4159.300112.6H339 D433 Q434 I440 S441 R461H339-E437 IonicContact CD2-OE1 2.75Å; H339-E437 IonicContact CE1-OE1 2.79Å; H339-E437 IonicContact NE2-OE1 2.79Å; H339-E437 PolarHBondContact NE2-OE1 2.95Å; D433-E437 PolarHBondContact O-N 3.21Å; D433-E437 VanDerWaalsContact O-N 3.09Å; Q434-E437 WeakPolarHBondContact O-CB 3.35Å; Q434-E437 PolarHBondContact O-N 3.3Å; Q434-E437 VanDerWaalsContact O-N 3.14Å; E437-I440 PolarHBondContact O-N 2.89Å; E437-S441 WeakPolarHBondContact O-CB 3.43Å; E437-S441 PolarHBondContact O-N 3.1Å; E437-S441 PolarHBondContact O-OG 3.28Å; E437-R461 PolarHBondContact O-NH2 3.29Å; E437-R461 IonicContact OE2-CZ 2.85Å; E437-R461 VanDerWaalsContact OE2-CZ 3.27Å; E437-R461 IonicContact OE2-NH1 3.97Å; E437-R461 PolarHBondContact OE2-NH1 2.86Å; E437-R461 IonicContact OE2-NH2 2.92Å; E437-R461 PolarHBondContact OE2-NH2 3.4Å
438E94.9Very high91.7Very high84 Ų8468.4 Ų68.439%0.39333%0.333SS..Hα-helixtrans-65.8-42.6173.9-70.7168.2-167.500111.5Q434 Q435 A436 I440 S441 R442Q434-E438 PolarHBondContact NE2-OE1 3.22Å; Q434-E438 WeakPolarHBondContact O-CG 3.36Å; Q434-E438 PolarHBondContact O-N 3.19Å; Q435-E438 PolarHBondContact NE2-OE2 2.83Å; Q435-E438 PolarHBondContact O-N 3.1Å; A436-E438 VanDerWaalsContact C-N 3.33Å; A436-E438 PolarHBondContact O-N 3.33Å; E438-I440 PolarHBondContact O-N 3.06Å; E438-S441 WeakPolarHBondContact O-CB 3.29Å; E438-S441 PolarHBondContact O-N 3.32Å; E438-R442 WeakPolarHBondContact O-CG 3.31Å; E438-R442 PolarHBondContact O-N 3.11Å
439D92.8Very high90.6Very high44 Ų4468.7 Ų68.724%0.23534%0.343CS..Hα-helixtrans-59.2-47175.3-65-12.8000111.4Q435 A436 S441 R442 L443Q435-D439 PolarHBondContact NE2-OD1 3.01Å; Q435-D439 PolarHBondContact O-N 3.1Å; A436-D439 WeakPolarHBondContact O-CB 3.37Å; A436-D439 PolarHBondContact O-N 3.45Å; D439-S441 VanDerWaalsContact C-N 3.29Å; D439-S441 PolarHBondContact O-N 3.31Å; D439-R442 WeakPolarHBondContact O-CB 3.44Å; D439-R442 PolarHBondContact O-N 3.28Å; D439-R442 IonicContact OD1-CZ 2.83Å; D439-R442 IonicContact OD1-NE 3.91Å; D439-R442 IonicContact OD1-NH2 2.8Å; D439-R442 PolarHBondContact OD1-NH2 3.02Å; D439-L443 WeakPolarHBondContact O-CG 3.38Å; D439-L443 PolarHBondContact O-N 3.31Å
440I91.9Very high89.4Confident9 Ų971.1 Ų71.15%0.04636%0.358CS..Hα-helixtrans-59.2-43175.5-67.8165.1000110.3A436 E437 E438 R442 L443 A444 V457 V487 F632A436-I440 VanDerWaalsContact O-CG1 3.24Å; A436-I440 WeakPolarHBondContact O-CG1 3.41Å; A436-I440 PolarHBondContact O-N 3.22Å; E437-I440 PolarHBondContact O-N 2.89Å; E438-I440 PolarHBondContact O-N 3.06Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.2Å; I440-L443 PolarHBondContact O-N 3.09Å; I440-A444 PolarHBondContact O-N 3.12Å; I440-V457 HydrophobicContact CG2-CG1 3.69Å; I440-V487 HydrophobicContact CG2-CG2 3.97Å; I440-F632 HydrophobicContact CG1-CE2 3.91Å; I440-F632 HydrophobicContact CG1-CZ 4.01Å
441S91.9Very high88.4Confident48 Ų4874 Ų7434%0.33638%0.384SS..Hα-helixtrans-66.7-30.6179.1-56.40000113E437 E438 D439 R461E437-S441 WeakPolarHBondContact O-CB 3.43Å; E437-S441 PolarHBondContact O-N 3.1Å; E437-S441 PolarHBondContact O-OG 3.28Å; E438-S441 WeakPolarHBondContact O-CB 3.29Å; E438-S441 PolarHBondContact O-N 3.32Å; D439-S441 VanDerWaalsContact C-N 3.29Å; D439-S441 PolarHBondContact O-N 3.31Å; S441-R461 PolarHBondContact OG-NH2 2.79Å
442R92.7Very high87.8Confident161 Ų16172.6 Ų72.661%0.60838%0.377SS*.Hα-helixtrans-69.6-43.7171.4-71-171.6-69.6175.7-2.2111.4E438 D439 I440 A444 K445E438-R442 WeakPolarHBondContact O-CG 3.31Å; E438-R442 PolarHBondContact O-N 3.11Å; D439-R442 WeakPolarHBondContact O-CB 3.44Å; D439-R442 PolarHBondContact O-N 3.28Å; D439-R442 IonicContact OD1-CZ 2.83Å; D439-R442 IonicContact OD1-NE 3.91Å; D439-R442 IonicContact OD1-NH2 2.8Å; D439-R442 PolarHBondContact OD1-NH2 3.02Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.2Å; R442-A444 PolarHBondContact O-N 2.99Å; R442-K445 WeakPolarHBondContact O-CB 3.41Å; R442-K445 PolarHBondContact O-N 2.93Å
443L89.2Confident87.6Confident71 Ų7169.8 Ų69.837%0.37237%0.368SS..Hα-helixtrans-66.4-24.6178-67.7167.8000113D439 I440 K445 T446 N455 F632D439-L443 WeakPolarHBondContact O-CG 3.38Å; D439-L443 PolarHBondContact O-N 3.31Å; I440-L443 PolarHBondContact O-N 3.09Å; L443-K445 PolarHBondContact O-N 3.36Å; L443-T446 PolarHBondContact O-N 3.33Å; L443-T446 PolarHBondContact O-OG1 2.86Å; L443-N455 PolarHBondContact O-ND2 2.99Å; L443-F632 HydrophobicContact CB-CD2 4.21Å; L443-F632 HydrophobicContact CD1-CD2 3.54Å; L443-F632 HydrophobicContact CD1-CE2 3.86Å; L443-F632 HydrophobicContact CG-CD2 4.46Å
444A89.4Confident87.6Confident17 Ų1769.7 Ų69.714%0.1437%0.367CS..THydrogen-bonded Turntrans-63.9-21.8170.500000113.3I440 R442 V457 A458 R461I440-A444 PolarHBondContact O-N 3.12Å; R442-A444 PolarHBondContact O-N 2.99Å; A444-V457 HydrophobicContact CB-CB 4.28Å; A444-V457 HydrophobicContact CB-CG1 3.86Å; A444-A458 HydrophobicContact CB-CB 4.43Å; A444-A458 WeakPolarHBondContact O-CB 3.33Å; A444-R461 HydrophobicContact CB-CG 4.37Å
445K87.9Confident87.5Confident183 Ų18365.2 Ų65.280%0.79635%0.347SS*.THydrogen-bonded Turntrans-96.7-1-176.7-60.3178.5-177.3-178.90113.6R442 L443R442-K445 WeakPolarHBondContact O-CB 3.41Å; R442-K445 PolarHBondContact O-N 2.93Å; L443-K445 PolarHBondContact O-N 3.36Å
446T85.1Confident87.4Confident67 Ų6761 Ų6141%0.41133%0.327SS..SBendtrans-83.2145.3179.662.30000110.8L443 N455L443-T446 PolarHBondContact O-N 3.33Å; L443-T446 PolarHBondContact O-OG1 2.86Å; T446-N455 PolarHBondContact O-ND2 3.12Å; T446-N455 PolarHBondContact OG1-ND2 2.87Å
447D79.4Confident87.5Confident155 Ų15560.7 Ų60.783%0.82933%0.325SS*.PPolyproline II helixtrans-60.8148.4171.6-65.8-35.8000111.2
448T78.3Confident87.5Confident32 Ų3261.4 Ų61.420%0.19633%0.334CS..PPolyproline II helixtrans-77.7154.3171.958.40000110.9T450 G453 N455 T630T448-T450 PolarHBondContact O-N 3.22Å; T448-T450 PolarHBondContact OG1-O 3.37Å; T448-T450 VanDerWaalsContact OG1-O 3.09Å; T448-G453 PolarHBondContact OG1-O 3.02Å; T448-N455 VanDerWaalsContact CG2-CA 3.41Å; T448-N455 HydrophobicContact CG2-CB 3.81Å; T448-N455 VanDerWaalsContact CG2-N 3.32Å; T448-T630 HydrophobicContact CG2-CG2 4.4Å
449L73.4Confident87.6Confident123 Ų12357.7 Ų57.764%0.64432%0.317SS*.SBendtrans-71.2-12.3172.9-57.9175.7000113.3R629 N631L449-R629 HydrophobicContact CB-CB 4.17Å; L449-R629 HydrophobicContact CD1-CB 4.39Å; L449-R629 PolarHBondContact N-O 2.94Å; L449-N631 WeakPolarHBondContact CD1-OD1 3.45Å
450T70Confident87.8Confident51 Ų5155.6 Ų55.631%0.31331%0.305SS..SBendtrans-139.4115-173.855.20000111.1T448 G453 G628 R629T448-T450 PolarHBondContact O-N 3.22Å; T448-T450 PolarHBondContact OG1-O 3.37Å; T448-T450 VanDerWaalsContact OG1-O 3.09Å; T450-G453 PolarHBondContact O-N 2.84Å; T450-G628 VanDerWaalsContact OG1-CA 3.25Å; T450-G628 WeakPolarHBondContact OG1-CA 3.33Å; T450-R629 HydrophobicContact CG2-CB 4.25Å; T450-R629 HydrophobicContact CG2-CG 4.05Å; T450-R629 PolarHBondContact OG1-N 3.17Å
451S75.2Confident87.9Confident111 Ų11157.3 Ų57.378%0.77631%0.311SS*.THydrogen-bonded Turntrans-88.8145.8171.3-1780000110.4
452P83.6Confident88Confident65 Ų6556.7 Ų56.742%0.42230%0.304SS..THydrogen-bonded Turncis-94.837.55.937.6-34.4000114.4S601 L626P452-S601 WeakPolarHBondContact O-CB 3.44Å; P452-S601 PolarHBondContact O-N 3.17Å; P452-S601 PolarHBondContact O-OG 2.83Å; P452-S601 VanDerWaalsContact O-OG 3.12Å; P452-L626 HydrophobicContact CG-CD2 3.88Å
453G91Very high88.2Confident6 Ų649 Ų496%0.06228%0.275CS..PPolyproline II helixtrans-75.8144.1-177.400000113.7T448 T450 L626T448-G453 PolarHBondContact OG1-O 3.02Å; T450-G453 PolarHBondContact O-N 2.84Å; G453-L626 WeakPolarHBondContact CA-O 3.49Å
454I93.9Very high88.5Confident12 Ų1247.4 Ų47.46%0.06227%0.266CS..BIsolated β-bridgetrans-75.6142.9173-48.9164.3000109.2P456 L459 V599 A604 A625 L626 I627 G628I454-P456 WeakPolarHBondContact O-CD 3.32Å; I454-P456 VanDerWaalsContact O-N 3.15Å; I454-L459 HydrophobicContact CD1-CD1 4.36Å; I454-L459 HydrophobicContact CG2-CB 4.01Å; I454-V599 HydrophobicContact CD1-CB 4.35Å; I454-V599 HydrophobicContact CD1-CG1 3.73Å; I454-A604 HydrophobicContact CD1-CB 4Å; I454-A604 HydrophobicContact CG1-CB 4.11Å; I454-A604 HydrophobicContact CG2-CB 4.25Å; I454-A625 HydrophobicContact CD1-CB 4.46Å; I454-L626 WeakPolarHBondContact CG1-O 3.49Å; I454-L626 PolarHBondContact N-O 3.05Å; I454-I627 CarbonylContact O-C 3.58Å; I454-I627 WeakPolarHBondContact O-CA 3.44Å; I454-G628 PolarHBondContact O-N 3.33Å
455N93.8Very high88.7Confident13 Ų1353.9 Ų53.97%0.0729%0.293CS..PPolyproline II helixtrans-60119.4167.3179.9-40.7000109.3L443 T446 T448 V457 A458 L459L443-N455 PolarHBondContact O-ND2 2.99Å; T446-N455 PolarHBondContact O-ND2 3.12Å; T446-N455 PolarHBondContact OG1-ND2 2.87Å; T448-N455 VanDerWaalsContact CG2-CA 3.41Å; T448-N455 HydrophobicContact CG2-CB 3.81Å; T448-N455 VanDerWaalsContact CG2-N 3.32Å; N455-V457 PolarHBondContact O-N 3.17Å; N455-V457 WeakPolarHBondContact OD1-CB 3.41Å; N455-V457 PolarHBondContact OD1-N 2.93Å; N455-A458 HydrophobicContact CB-CB 3.87Å; N455-A458 WeakPolarHBondContact O-CA 3.4Å; N455-A458 WeakPolarHBondContact O-CB 3.44Å; N455-A458 PolarHBondContact O-N 3.24Å; N455-A458 PolarHBondContact OD1-N 3.32Å; N455-L459 PolarHBondContact O-N 3.09Å
456P94.9Very high89Confident3 Ų346.7 Ų46.72%0.01926%0.263CS..Hα-helixtrans-60.6-32.5-175.222.5-33.7000112.7I454 L460 F480 I627 G628 T630I454-P456 WeakPolarHBondContact O-CD 3.32Å; I454-P456 VanDerWaalsContact O-N 3.15Å; P456-L460 WeakPolarHBondContact O-CB 3.31Å; P456-L460 VanDerWaalsContact O-CD1 3.31Å; P456-L460 WeakPolarHBondContact O-CD1 3.36Å; P456-L460 WeakPolarHBondContact O-CG 3.19Å; P456-L460 PolarHBondContact O-N 3.37Å; P456-F480 HydrophobicContact CB-CD2 3.85Å; P456-F480 HydrophobicContact CB-CE2 3.99Å; P456-I627 HydrophobicContact CB-CB 4.43Å; P456-I627 HydrophobicContact CB-CD1 4.32Å; P456-I627 HydrophobicContact CB-CG2 4.46Å; P456-G628 WeakPolarHBondContact CD-O 3.46Å; P456-T630 HydrophobicContact CG-CG2 3.98Å
457V94.6Very high89.5Confident1 Ų143.8 Ų43.81%0.00625%0.245CC..Hα-helixtrans-69.6-40.1175.7-172.60000110.4I440 A444 N455 L460 R461 T483 V487 F632I440-V457 HydrophobicContact CG2-CG1 3.69Å; A444-V457 HydrophobicContact CB-CB 4.28Å; A444-V457 HydrophobicContact CB-CG1 3.86Å; N455-V457 PolarHBondContact O-N 3.17Å; N455-V457 WeakPolarHBondContact OD1-CB 3.41Å; N455-V457 PolarHBondContact OD1-N 2.93Å; V457-L460 PolarHBondContact O-N 3.48Å; V457-R461 WeakPolarHBondContact O-CG 3.43Å; V457-R461 PolarHBondContact O-N 3.26Å; V457-T483 HydrophobicContact CG2-CG2 3.97Å; V457-V487 HydrophobicContact CG1-CG2 4.1Å; V457-F632 HydrophobicContact CG2-CB 4.16Å; V457-F632 HydrophobicContact CG2-CD1 4.16Å; V457-F632 HydrophobicContact CG2-CD2 3.91Å; V457-F632 HydrophobicContact CG2-CE2 4.41Å; V457-F632 HydrophobicContact CG2-CG 3.8Å
458A94.3Very high90.2Very high33 Ų3338 Ų3827%0.27322%0.216SC..Hα-helixtrans-62.6-46.6175.200000111.8A444 N455 L460 R461 N462A444-A458 HydrophobicContact CB-CB 4.43Å; A444-A458 WeakPolarHBondContact O-CB 3.33Å; N455-A458 HydrophobicContact CB-CB 3.87Å; N455-A458 WeakPolarHBondContact O-CA 3.4Å; N455-A458 WeakPolarHBondContact O-CB 3.44Å; N455-A458 PolarHBondContact O-N 3.24Å; N455-A458 PolarHBondContact OD1-N 3.32Å; A458-L460 VanDerWaalsContact C-N 3.33Å; A458-L460 PolarHBondContact O-N 3.03Å; A458-R461 PolarHBondContact O-N 3.2Å; A458-N462 PolarHBondContact O-N 2.89Å; A458-N462 VanDerWaalsContact O-N 3.08Å
459L95.8Very high90.9Very high6 Ų645.6 Ų45.63%0.03125%0.246CC..Hα-helixtrans-56.3-48.9174.8176.162.8000110.8I454 N455 R461 N462 V463 F480 I553 L607 A625 I627I454-L459 HydrophobicContact CD1-CD1 4.36Å; I454-L459 HydrophobicContact CG2-CB 4.01Å; N455-L459 PolarHBondContact O-N 3.09Å; L459-R461 PolarHBondContact O-N 2.9Å; L459-N462 WeakPolarHBondContact O-CB 3.26Å; L459-N462 PolarHBondContact O-N 2.84Å; L459-V463 HydrophobicContact CD1-CG2 4.29Å; L459-V463 HydrophobicContact CG-CG2 4.49Å; L459-V463 VanDerWaalsContact O-CG2 3.31Å; L459-V463 WeakPolarHBondContact O-CG2 3.41Å; L459-V463 PolarHBondContact O-N 2.82Å; L459-F480 HydrophobicContact CD2-CE2 4.05Å; L459-F480 HydrophobicContact CD2-CZ 3.87Å; L459-I553 HydrophobicContact CD2-CG2 4.49Å; L459-L607 HydrophobicContact CD1-CD2 3.71Å; L459-A625 HydrophobicContact CD1-CB 4.34Å; L459-A625 HydrophobicContact CD2-CB 3.54Å; L459-I627 HydrophobicContact CD2-CG2 3.59Å
460L96.7Very high92Very high0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-68-31.6-177.9-72.3163.9000113.4P456 V457 A458 V463 E464 F480 T483 A484 V487 L488 I527P456-L460 WeakPolarHBondContact O-CB 3.31Å; P456-L460 VanDerWaalsContact O-CD1 3.31Å; P456-L460 WeakPolarHBondContact O-CD1 3.36Å; P456-L460 WeakPolarHBondContact O-CG 3.19Å; P456-L460 PolarHBondContact O-N 3.37Å; V457-L460 PolarHBondContact O-N 3.48Å; A458-L460 VanDerWaalsContact C-N 3.33Å; A458-L460 PolarHBondContact O-N 3.03Å; L460-V463 PolarHBondContact O-N 3.41Å; L460-E464 WeakPolarHBondContact O-CB 3.32Å; L460-E464 PolarHBondContact O-N 3.12Å; L460-F480 HydrophobicContact CD1-CD2 4.31Å; L460-F480 HydrophobicContact CD1-CE2 3.85Å; L460-F480 HydrophobicContact CD1-CZ 4.36Å; L460-F480 HydrophobicContact CD2-CE1 4.42Å; L460-F480 HydrophobicContact CD2-CE2 4.1Å; L460-F480 HydrophobicContact CD2-CZ 3.75Å; L460-F480 HydrophobicContact CG-CE2 3.81Å; L460-F480 HydrophobicContact CG-CZ 3.97Å; L460-T483 HydrophobicContact CD1-CG2 3.67Å; L460-A484 VanDerWaalsContact CD1-CA 3.48Å; L460-A484 HydrophobicContact CD1-CB 3.8Å; L460-A484 HydrophobicContact CD2-CB 3.43Å; L460-A484 VanDerWaalsContact CD2-CB 3.43Å; L460-A484 HydrophobicContact CG-CB 4.25Å; L460-V487 HydrophobicContact CB-CB 3.98Å; L460-V487 HydrophobicContact CB-CG1 3.81Å; L460-V487 HydrophobicContact CB-CG2 4.28Å; L460-V487 HydrophobicContact CD1-CG2 4.47Å; L460-L488 HydrophobicContact CD2-CD1 4.19Å; L460-L488 HydrophobicContact CD2-CD2 4.34Å; L460-L488 HydrophobicContact CD2-CG 4.25Å; L460-L488 WeakPolarHBondContact O-CD2 3.49Å; L460-I527 HydrophobicContact CD2-CG2 4.44Å
461R94.6Very high93.3Very high46 Ų4640.4 Ų40.417%0.17422%0.217CC..Hα-helixtrans-65.5-44.3172-76.7-68.8-166.3-160.23.2111.4E437 S441 A444 V457 A458 L459 V463 E464 E465 V487E437-R461 PolarHBondContact O-NH2 3.29Å; E437-R461 IonicContact OE2-CZ 2.85Å; E437-R461 VanDerWaalsContact OE2-CZ 3.27Å; E437-R461 IonicContact OE2-NH1 3.97Å; E437-R461 PolarHBondContact OE2-NH1 2.86Å; E437-R461 IonicContact OE2-NH2 2.92Å; E437-R461 PolarHBondContact OE2-NH2 3.4Å; S441-R461 PolarHBondContact OG-NH2 2.79Å; A444-R461 HydrophobicContact CB-CG 4.37Å; V457-R461 WeakPolarHBondContact O-CG 3.43Å; V457-R461 PolarHBondContact O-N 3.26Å; A458-R461 PolarHBondContact O-N 3.2Å; L459-R461 PolarHBondContact O-N 2.9Å; R461-V463 VanDerWaalsContact C-N 3.34Å; R461-E464 WeakPolarHBondContact O-CB 3.14Å; R461-E464 PolarHBondContact O-N 3.41Å; R461-E465 PolarHBondContact O-N 3.32Å; R461-V487 HydrophobicContact CG-CG1 3.97Å
462N94.4Very high94.3Very high35 Ų3535.1 Ų35.119%0.18718%0.181CC..Hα-helixtrans-61.9-43.8174.5-177.3-70.6000111.2A458 L459 E464 E465 L466 L607 N608A458-N462 PolarHBondContact O-N 2.89Å; A458-N462 VanDerWaalsContact O-N 3.08Å; L459-N462 WeakPolarHBondContact O-CB 3.26Å; L459-N462 PolarHBondContact O-N 2.84Å; N462-E464 PolarHBondContact O-N 2.91Å; N462-E465 WeakPolarHBondContact O-CB 3.45Å; N462-E465 PolarHBondContact O-N 2.89Å; N462-L466 PolarHBondContact O-N 2.83Å; N462-L607 WeakPolarHBondContact OD1-CD2 3.3Å; N462-N608 PolarHBondContact ND2-OD1 2.91Å; N462-N608 PolarHBondContact OD1-OD1 3.39Å
463V96Very high95Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-62.9-39.3175.2170.50000112.2L459 L460 R461 E465 L466 I467 L488 W525 I527 I553 L607L459-V463 HydrophobicContact CD1-CG2 4.29Å; L459-V463 HydrophobicContact CG-CG2 4.49Å; L459-V463 VanDerWaalsContact O-CG2 3.31Å; L459-V463 WeakPolarHBondContact O-CG2 3.41Å; L459-V463 PolarHBondContact O-N 2.82Å; L460-V463 PolarHBondContact O-N 3.41Å; R461-V463 VanDerWaalsContact C-N 3.34Å; V463-E465 VanDerWaalsContact C-N 3.26Å; V463-E465 PolarHBondContact O-N 2.81Å; V463-L466 PolarHBondContact O-N 3.16Å; V463-I467 HydrophobicContact CG1-CD1 3.62Å; V463-I467 HydrophobicContact CG1-CG1 4.01Å; V463-I467 WeakPolarHBondContact O-CG1 3.3Å; V463-I467 PolarHBondContact O-N 3.16Å; V463-L488 HydrophobicContact CG1-CD2 4.38Å; V463-W525 HydrophobicContact CG1-CE3 4.41Å; V463-W525 HydrophobicContact CG1-CZ3 4.16Å; V463-I527 HydrophobicContact CG1-CD1 4.15Å; V463-I553 HydrophobicContact CG1-CG1 4.31Å; V463-I553 HydrophobicContact CG2-CD1 4.45Å; V463-I553 HydrophobicContact CG2-CG1 4.13Å; V463-I553 HydrophobicContact CG2-CG2 4.42Å; V463-L607 HydrophobicContact CG2-CD2 4.06Å
464E95.7Very high95.4Very high36 Ų3631.8 Ų31.817%0.16816%0.157CC..Hα-helixtrans-58.8-37.5176.2176.761.7-17600112.2L460 R461 N462 L466 L488 K489 R491L460-E464 WeakPolarHBondContact O-CB 3.32Å; L460-E464 PolarHBondContact O-N 3.12Å; R461-E464 WeakPolarHBondContact O-CB 3.14Å; R461-E464 PolarHBondContact O-N 3.41Å; N462-E464 PolarHBondContact O-N 2.91Å; E464-L466 VanDerWaalsContact C-N 3.33Å; E464-L488 HydrophobicContact CB-CD2 3.79Å; E464-L488 WeakPolarHBondContact OE2-CA 3.41Å; E464-K489 WeakPolarHBondContact OE1-CB 3.3Å; E464-K489 PolarHBondContact OE1-N 2.8Å; E464-K489 PolarHBondContact OE2-N 2.99Å; E464-R491 VanDerWaalsContact CD-NH2 3.3Å; E464-R491 PolarHBondContact O-NH2 2.98Å; E464-R491 IonicContact OE1-CZ 3.44Å; E464-R491 IonicContact OE1-NH1 3.31Å; E464-R491 PolarHBondContact OE1-NH1 3.24Å; E464-R491 IonicContact OE1-NH2 3.31Å; E464-R491 PolarHBondContact OE1-NH2 3.08Å; E464-R491 IonicContact OE2-CZ 3.28Å; E464-R491 IonicContact OE2-NH1 2.72Å; E464-R491 PolarHBondContact OE2-NH1 3.46Å; E464-R491 IonicContact OE2-NH2 3.08Å; E464-R491 PolarHBondContact OE2-NH2 2.82Å
465E94.3Very high95.6Very high153 Ų15331.4 Ų31.472%0.71516%0.155SC*.Hα-helixtrans-69.9-30.2175.8-67.3173.9-176.200112.5R461 N462 V463R461-E465 PolarHBondContact O-N 3.32Å; N462-E465 WeakPolarHBondContact O-CB 3.45Å; N462-E465 PolarHBondContact O-N 2.89Å; V463-E465 VanDerWaalsContact C-N 3.26Å; V463-E465 PolarHBondContact O-N 2.81Å
466L94.2Very high95.8Very high32 Ų3230.8 Ų30.817%0.16815%0.152CC..Hα-helixtrans-80.5-35.6179.6-73.8174000113.9N462 V463 E464 P468 W525 L607 N608 V611N462-L466 PolarHBondContact O-N 2.83Å; V463-L466 PolarHBondContact O-N 3.16Å; E464-L466 VanDerWaalsContact C-N 3.33Å; L466-P468 VanDerWaalsContact O-CD 3.25Å; L466-P468 WeakPolarHBondContact O-CD 3.3Å; L466-W525 HydrophobicContact CB-CH2 3.9Å; L466-W525 HydrophobicContact CB-CZ2 4.39Å; L466-L607 HydrophobicContact CD1-CD2 4.35Å; L466-L607 HydrophobicContact CD1-CG 4.01Å; L466-N608 VanDerWaalsContact CD1-OD1 3.23Å; L466-N608 WeakPolarHBondContact CD1-OD1 3.5Å; L466-N608 HydrophobicContact CD2-CB 4.08Å; L466-N608 VanDerWaalsContact CD2-OD1 3.28Å; L466-N608 WeakPolarHBondContact CD2-OD1 3.07Å; L466-N608 WeakPolarHBondContact CG-OD1 3.37Å; L466-V611 HydrophobicContact CD1-CB 4.47Å; L466-V611 HydrophobicContact CD1-CG2 4.36Å
467I95Very high95.7Very high7 Ų731.4 Ų31.44%0.03616%0.16CC..SBendtrans-67.3119.4-175.3-69.2168000109.5V463 A471 I473 L488 R491 W525V463-I467 HydrophobicContact CG1-CD1 3.62Å; V463-I467 HydrophobicContact CG1-CG1 4.01Å; V463-I467 WeakPolarHBondContact O-CG1 3.3Å; V463-I467 PolarHBondContact O-N 3.16Å; I467-A471 HydrophobicContact CG2-CB 3.68Å; I467-I473 HydrophobicContact CD1-CD1 4.19Å; I467-I473 HydrophobicContact CD1-CG1 4.48Å; I467-I473 HydrophobicContact CG2-CD1 4.17Å; I467-I473 HydrophobicContact CG2-CG1 4.22Å; I467-L488 HydrophobicContact CD1-CD1 4.22Å; I467-L488 HydrophobicContact CD1-CD2 4.37Å; I467-R491 VanDerWaalsContact CB-NH2 3.33Å; I467-R491 HydrophobicContact CG2-CG 4.43Å; I467-R491 PolarHBondContact O-NH2 2.93Å; I467-R491 VanDerWaalsContact O-NH2 3.14Å; I467-W525 HydrophobicContact CD1-CD2 4.38Å; I467-W525 HydrophobicContact CD1-CE3 4.26Å; I467-W525 HydrophobicContact CD1-CG 4.5Å; I467-W525 HydrophobicContact CG1-CB 4.41Å; I467-W525 HydrophobicContact CG1-CD2 3.56Å; I467-W525 HydrophobicContact CG1-CE3 3.67Å; I467-W525 HydrophobicContact CG1-CG 3.9Å; I467-W525 HydrophobicContact CG1-CH2 4.37Å; I467-W525 HydrophobicContact CG1-CZ2 4.31Å; I467-W525 HydrophobicContact CG1-CZ3 4.08Å; I467-W525 HydrophobicContact CG2-CG 4.48Å
468P94.3Very high95.6Very high34 Ų3432.4 Ų32.422%0.22117%0.17CC..  trans-55.6151.6178.1-2837.9000113.5L466 D470 A471 R491 P523L466-P468 VanDerWaalsContact O-CD 3.25Å; L466-P468 WeakPolarHBondContact O-CD 3.3Å; P468-D470 VanDerWaalsContact CB-OD1 3.26Å; P468-D470 WeakPolarHBondContact CB-OD1 3.24Å; P468-D470 PolarHBondContact O-N 3.11Å; P468-D470 VanDerWaalsContact O-N 3.12Å; P468-A471 HydrophobicContact CB-CB 4.32Å; P468-A471 WeakPolarHBondContact O-CB 3.4Å; P468-A471 PolarHBondContact O-N 3.11Å; P468-R491 WeakPolarHBondContact O-CD 3.32Å; P468-R491 PolarHBondContact O-NE 3.03Å; P468-R491 VanDerWaalsContact O-NE 3.16Å; P468-P523 HydrophobicContact CB-CG 4.06Å; P468-P523 HydrophobicContact CG-CB 4.16Å; P468-P523 HydrophobicContact CG-CG 3.88Å
469K94.4Very high95.4Very high191 Ų19131.3 Ų31.383%0.8316%0.159SC*.THydrogen-bonded Turntrans-64.4-16.3-177.7-73-168.2177.2-174.30114.3R491K469-R491 VanDerWaalsContact O-CB 3.31Å; K469-R491 WeakPolarHBondContact O-CB 3.28Å
470D95.4Very high95.4Very high65 Ų6531.2 Ų31.235%0.34816%0.159SC..THydrogen-bonded Turntrans-107.5-2.2-178.364.8-26.7000113.6P468 K495 L522P468-D470 VanDerWaalsContact CB-OD1 3.26Å; P468-D470 WeakPolarHBondContact CB-OD1 3.24Å; P468-D470 PolarHBondContact O-N 3.11Å; P468-D470 VanDerWaalsContact O-N 3.12Å; D470-K495 VanDerWaalsContact CA-NZ 3.35Å; D470-K495 WeakPolarHBondContact O-CD 3.17Å; D470-K495 WeakPolarHBondContact O-CE 3.34Å; D470-K495 PolarHBondContact O-NZ 2.98Å; D470-L522 HydrophobicContact CB-CD2 4.22Å
471A96.8Very high95.3Very high0 Ų031.8 Ų31.80%016%0.162CC..  trans-65.1152.7-173.500000113.6I467 P468 R491 P523I467-A471 HydrophobicContact CG2-CB 3.68Å; P468-A471 HydrophobicContact CB-CB 4.32Å; P468-A471 WeakPolarHBondContact O-CB 3.4Å; P468-A471 PolarHBondContact O-N 3.11Å; A471-R491 HydrophobicContact CB-CG 4.43Å; A471-R491 WeakPolarHBondContact O-CB 3.39Å; A471-R491 WeakPolarHBondContact O-CG 3.27Å; A471-P523 CarbonylContact C-O 3.56Å; A471-P523 VanDerWaalsContact CA-O 3.24Å; A471-P523 WeakPolarHBondContact CA-O 3.4Å; A471-P523 HydrophobicContact CB-CB 3.97Å
472I98Very high95.2Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-93.6127.8167.1-57.6172.8000108.3L115 K495 L497 A515 H519 L522 P523 V524 W525L115-I472 HydrophobicContact CD2-CD1 4.35Å; I472-K495 HydrophobicContact CG1-CB 4.46Å; I472-K495 HydrophobicContact CG1-CG 4.38Å; I472-L497 HydrophobicContact CG2-CD1 4.4Å; I472-A515 HydrophobicContact CD1-CB 4.11Å; I472-A515 HydrophobicContact CG2-CB 4.04Å; I472-H519 HydrophobicContact CD1-CB 3.93Å; I472-H519 VanDerWaalsContact CD1-CD2 3.49Å; I472-H519 WeakPolarHBondContact CD1-CD2 3.36Å; I472-L522 HydrophobicContact CD1-CD1 4.22Å; I472-L522 HydrophobicContact CG1-CD1 4.27Å; I472-P523 PolarHBondContact N-O 3.4Å; I472-V524 HydrophobicContact CB-CG2 4.39Å; I472-V524 WeakPolarHBondContact O-CA 3.45Å; I472-W525 PolarHBondContact O-N 3.36Å
473I98.2Very high95.2Very high0 Ų028.8 Ų28.80%015%0.153CC..EExtended strand (participates in β ladder)trans-104.7125178.2-54.8175.4000109.4I467 M475 K489 R491 K495 W496 L497 W525 I527I467-I473 HydrophobicContact CD1-CD1 4.19Å; I467-I473 HydrophobicContact CD1-CG1 4.48Å; I467-I473 HydrophobicContact CG2-CD1 4.17Å; I467-I473 HydrophobicContact CG2-CG1 4.22Å; I473-M475 HydrophobicContact CG2-CG 4.34Å; I473-M475 HydrophobicContact CG2-SD 3.63Å; I473-K489 WeakPolarHBondContact CD1-O 3.34Å; I473-R491 HydrophobicContact CD1-CG 4.32Å; I473-K495 PolarHBondContact N-O 3.23Å; I473-W496 HydrophobicContact CB-CE3 4.03Å; I473-W496 HydrophobicContact CB-CZ3 4.32Å; I473-W496 HydrophobicContact CD1-CE3 4.32Å; I473-W496 HydrophobicContact CD1-CZ3 4.2Å; I473-W496 HydrophobicContact CG2-CE3 4.17Å; I473-W496 HydrophobicContact CG2-CZ3 4.01Å; I473-W496 WeakPolarHBondContact O-CA 3.39Å; I473-L497 PolarHBondContact O-N 3.19Å; I473-W525 CarbonylContact C-O 3.6Å; I473-W525 WeakPolarHBondContact CA-O 3.39Å; I473-I527 HydrophobicContact CG2-CG1 4.35Å
474V98.5Very high95.2Very high0 Ų028.8 Ų28.80%015%0.153CC..EExtended strand (participates in β ladder)trans-108.3133174.8-177.80000109.1L497 F511 A512 V524 W525 I526 I527V474-L497 CarbonylContact C-O 3.59Å; V474-L497 WeakPolarHBondContact CA-O 3.36Å; V474-L497 HydrophobicContact CG2-CB 4.29Å; V474-L497 HydrophobicContact CG2-CD1 4.23Å; V474-F511 HydrophobicContact CG1-CB 3.64Å; V474-F511 HydrophobicContact CG1-CD2 4.37Å; V474-F511 HydrophobicContact CG2-CB 4.37Å; V474-A512 HydrophobicContact CG2-CB 4.34Å; V474-V524 HydrophobicContact CG2-CG1 4.24Å; V474-W525 PolarHBondContact N-O 3.32Å; V474-I526 HydrophobicContact CB-CB 4.41Å; V474-I526 HydrophobicContact CB-CG1 4.3Å; V474-I526 HydrophobicContact CB-CG2 4.02Å; V474-I526 HydrophobicContact CG1-CG2 4.02Å; V474-I526 CarbonylContact O-C 3.54Å; V474-I526 WeakPolarHBondContact O-CA 3.46Å; V474-I527 PolarHBondContact O-N 2.92Å
475M97.8Very high95.1Very high4 Ų428.4 Ų28.42%0.0216%0.157CC..EExtended strand (participates in β ladder)trans-119.9124.5-175.3-58.7-60.8-72.400110.3I473 V481 A484 W496 L497 D498 P499 I527I473-M475 HydrophobicContact CG2-CG 4.34Å; I473-M475 HydrophobicContact CG2-SD 3.63Å; M475-V481 HydrophobicContact CB-CG1 3.8Å; M475-V481 HydrophobicContact CE-CB 4.38Å; M475-V481 HydrophobicContact CE-CG1 3.63Å; M475-V481 VanDerWaalsContact CE-O 3.31Å; M475-V481 WeakPolarHBondContact CE-O 3.25Å; M475-A484 HydrophobicContact CE-CB 3.39Å; M475-W496 HydrophobicContact CE-CH2 3.95Å; M475-W496 HydrophobicContact CE-CZ2 4.12Å; M475-W496 HydrophobicContact CG-CD2 4.44Å; M475-W496 HydrophobicContact CG-CH2 3.82Å; M475-W496 HydrophobicContact CG-CZ2 3.4Å; M475-W496 HydrophobicContact CG-CZ3 4.49Å; M475-W496 HydrophobicContact SD-CH2 3.78Å; M475-W496 HydrophobicContact SD-CZ2 3.99Å; M475-W496 HydrophobicContact SD-CZ3 4.35Å; M475-L497 PolarHBondContact N-O 3.1Å; M475-D498 HydrophobicContact CB-CB 4.04Å; M475-P499 VanDerWaalsContact O-CD 3.3Å; M475-P499 WeakPolarHBondContact O-CD 3.45Å; M475-I527 HydrophobicContact CE-CB 4.2Å; M475-I527 HydrophobicContact CE-CG2 4.43Å; M475-I527 HydrophobicContact SD-CB 3.8Å; M475-I527 HydrophobicContact SD-CG1 3.81Å
476D98Very high94.9Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-148.3102.2179.3-174.39.4000112.2L505 G506 V507 G508 I527 F528 G529 A532D476-L505 WeakPolarHBondContact OD1-CA 3.34Å; D476-G506 VanDerWaalsContact CG-N 3.35Å; D476-G506 PolarHBondContact OD1-N 3.15Å; D476-G506 WeakPolarHBondContact OD2-CA 3.4Å; D476-G506 PolarHBondContact OD2-N 2.63Å; D476-V507 HydrophobicContact CB-CG2 4Å; D476-V507 PolarHBondContact OD2-N 2.67Å; D476-G508 PolarHBondContact OD2-N 2.9Å; D476-I527 PolarHBondContact N-O 3.43Å; D476-F528 HydrophobicContact CB-CD1 3.77Å; D476-F528 HydrophobicContact CB-CE1 3.8Å; D476-F528 VanDerWaalsContact O-CA 3.25Å; D476-F528 WeakPolarHBondContact O-CA 3.38Å; D476-F528 WeakPolarHBondContact OD2-CE1 3.47Å; D476-G529 PolarHBondContact O-N 3.33Å; D476-G529 VanDerWaalsContact O-N 3.08Å; D476-A532 WeakPolarHBondContact O-CB 3.44Å
477G94Very high95Very high17 Ų1725.4 Ų25.418%0.17514%0.138CC..  trans159.5-178.5-17600000113.7
478G90.6Very high95Very high21 Ų2125.2 Ų25.222%0.21614%0.136CC..SBendtrans-100.4-105.6-179.100000113.5V481 G482 R633G478-V481 PolarHBondContact O-N 3.19Å; G478-G482 PolarHBondContact O-N 2.98Å; G478-R633 PolarHBondContact O-NH1 3.39Å
479D92Very high95Very high10 Ų1027.8 Ų27.85%0.05314%0.144CC..Hα-helixtrans-63.3-50.1-167.9-168.665000112.8V481 G482 T483 A561 Q562 R565 R633D479-V481 PolarHBondContact O-N 2.95Å; D479-G482 PolarHBondContact O-N 3.26Å; D479-T483 PolarHBondContact O-N 3.36Å; D479-T483 PolarHBondContact O-OG1 2.67Å; D479-A561 HydrophobicContact CB-CB 3.97Å; D479-Q562 HydrophobicContact CB-CB 4.04Å; D479-R565 IonicContact OD1-CZ 3.44Å; D479-R565 IonicContact OD1-NH1 2.79Å; D479-R565 PolarHBondContact OD1-NH1 3.36Å; D479-R565 IonicContact OD2-CZ 3.82Å; D479-R565 IonicContact OD2-NE 2.99Å; D479-R565 IonicContact OD2-NH1 3.8Å; D479-R565 PolarHBondContact OD2-NH1 2.96Å; D479-R565 IonicContact OD2-NH2 3.84Å; D479-R565 PolarHBondContact OD2-NH2 3.02Å; D479-R633 WeakPolarHBondContact O-CD 3.33Å; D479-R633 PolarHBondContact O-NH1 3.1Å; D479-R633 WeakPolarHBondContact OD1-CD 3.44Å; D479-R633 IonicContact OD1-CZ 3.56Å; D479-R633 IonicContact OD1-NE 2.64Å; D479-R633 IonicContact OD1-NH1 3.61Å
480F94.7Very high95Very high4 Ų419.2 Ų19.22%0.01811%0.109CC..Hα-helixtrans-60.5-45.4177.8179.1-113.2000112P456 L459 L460 G482 T483 A484 I527 F528 I627P456-F480 HydrophobicContact CB-CD2 3.85Å; P456-F480 HydrophobicContact CB-CE2 3.99Å; L459-F480 HydrophobicContact CD2-CE2 4.05Å; L459-F480 HydrophobicContact CD2-CZ 3.87Å; L460-F480 HydrophobicContact CD1-CD2 4.31Å; L460-F480 HydrophobicContact CD1-CE2 3.85Å; L460-F480 HydrophobicContact CD1-CZ 4.36Å; L460-F480 HydrophobicContact CD2-CE1 4.42Å; L460-F480 HydrophobicContact CD2-CE2 4.1Å; L460-F480 HydrophobicContact CD2-CZ 3.75Å; L460-F480 HydrophobicContact CG-CE2 3.81Å; L460-F480 HydrophobicContact CG-CZ 3.97Å; F480-G482 PolarHBondContact O-N 3.38Å; F480-T483 CarbonylContact O-C 3.6Å; F480-T483 WeakPolarHBondContact O-CA 3.46Å; F480-T483 VanDerWaalsContact O-CB 3.27Å; F480-T483 WeakPolarHBondContact O-CB 3.24Å; F480-T483 PolarHBondContact O-N 3.18Å; F480-T483 VanDerWaalsContact O-N 3.1Å; F480-A484 PolarHBondContact O-N 2.91Å; F480-I527 HydrophobicContact CD1-CG2 4.05Å; F480-I527 HydrophobicContact CE1-CG2 3.54Å; F480-I527 HydrophobicContact CZ-CG2 4.38Å; F480-F528 VanDerWaalsContact CD1-O 3.3Å; F480-F528 WeakPolarHBondContact CD1-O 3.36Å; F480-I627 HydrophobicContact CB-CD1 3.99Å; F480-I627 HydrophobicContact CD2-CD1 3.57Å; F480-I627 HydrophobicContact CE2-CD1 4.28Å; F480-I627 HydrophobicContact CE2-CG2 4.3Å; F480-I627 HydrophobicContact CG-CD1 3.92Å
481V94.6Very high95Very high12 Ų1217.1 Ų17.17%0.07310%0.096CC..Hα-helixtrans-67.7-37.8179.8168.40000112.1M475 G478 D479 T483 A484 A485 I527M475-V481 HydrophobicContact CB-CG1 3.8Å; M475-V481 HydrophobicContact CE-CB 4.38Å; M475-V481 HydrophobicContact CE-CG1 3.63Å; M475-V481 VanDerWaalsContact CE-O 3.31Å; M475-V481 WeakPolarHBondContact CE-O 3.25Å; G478-V481 PolarHBondContact O-N 3.19Å; D479-V481 PolarHBondContact O-N 2.95Å; V481-T483 VanDerWaalsContact C-N 3.31Å; V481-A484 CarbonylContact O-C 3.53Å; V481-A484 WeakPolarHBondContact O-CB 3.18Å; V481-A484 PolarHBondContact O-N 3.12Å; V481-A485 PolarHBondContact O-N 3.32Å; V481-I527 HydrophobicContact CG2-CG2 4.29Å; V481-I527 WeakPolarHBondContact CG2-O 3.42Å
482G92.6Very high94.9Very high17 Ų1717.2 Ų17.218%0.17510%0.097CC..Hα-helixtrans-70.9-28.2172.100000112.4G478 D479 F480 A485 Y486G478-G482 PolarHBondContact O-N 2.98Å; D479-G482 PolarHBondContact O-N 3.26Å; F480-G482 PolarHBondContact O-N 3.38Å; G482-A485 PolarHBondContact O-N 2.93Å; G482-Y486 WeakPolarHBondContact O-CD2 3.27Å
483T94.4Very high94.7Very high1 Ų119 Ų191%0.00611%0.109CC..Hα-helixtrans-63.4-45.2167-56.50000110.5V457 L460 D479 F480 V481 A485 Y486 V487 F632 R633V457-T483 HydrophobicContact CG2-CG2 3.97Å; L460-T483 HydrophobicContact CD1-CG2 3.67Å; D479-T483 PolarHBondContact O-N 3.36Å; D479-T483 PolarHBondContact O-OG1 2.67Å; F480-T483 CarbonylContact O-C 3.6Å; F480-T483 WeakPolarHBondContact O-CA 3.46Å; F480-T483 VanDerWaalsContact O-CB 3.27Å; F480-T483 WeakPolarHBondContact O-CB 3.24Å; F480-T483 PolarHBondContact O-N 3.18Å; F480-T483 VanDerWaalsContact O-N 3.1Å; V481-T483 VanDerWaalsContact C-N 3.31Å; T483-A485 PolarHBondContact O-N 3.05Å; T483-Y486 PolarHBondContact O-N 3.04Å; T483-V487 PolarHBondContact O-N 2.68Å; T483-F632 HydrophobicContact CG2-CD1 3.69Å; T483-F632 HydrophobicContact CG2-CE1 3.85Å; T483-R633 WeakPolarHBondContact OG1-CD 3.21Å
484A95.9Very high94.6Very high0 Ų020.1 Ų20.10%012%0.115CC..Hα-helixtrans-59-35174.800000112.2L460 M475 F480 V481 Y486 V487 L488 I527L460-A484 VanDerWaalsContact CD1-CA 3.48Å; L460-A484 HydrophobicContact CD1-CB 3.8Å; L460-A484 HydrophobicContact CD2-CB 3.43Å; L460-A484 VanDerWaalsContact CD2-CB 3.43Å; L460-A484 HydrophobicContact CG-CB 4.25Å; M475-A484 HydrophobicContact CE-CB 3.39Å; F480-A484 PolarHBondContact O-N 2.91Å; V481-A484 CarbonylContact O-C 3.53Å; V481-A484 WeakPolarHBondContact O-CB 3.18Å; V481-A484 PolarHBondContact O-N 3.12Å; A484-Y486 PolarHBondContact O-N 3.06Å; A484-V487 PolarHBondContact O-N 3.49Å; A484-V487 VanDerWaalsContact O-N 3.11Å; A484-L488 HydrophobicContact CB-CD1 4.02Å; A484-L488 HydrophobicContact CB-CG 4.24Å; A484-L488 WeakPolarHBondContact O-CB 3.43Å; A484-L488 PolarHBondContact O-N 3.27Å; A484-I527 HydrophobicContact CB-CG2 3.95Å
485A92.8Very high94.4Very high29 Ų2922.3 Ų22.324%0.2412%0.124CC..Hα-helixtrans-69.5-7.2173.500000114.7R326 V481 G482 T483 W496R326-A485 VanDerWaalsContact CZ-O 3.31Å; R326-A485 PolarHBondContact NH1-O 3.03Å; R326-A485 VanDerWaalsContact NH1-O 3.14Å; R326-A485 PolarHBondContact NH2-O 2.98Å; V481-A485 PolarHBondContact O-N 3.32Å; G482-A485 PolarHBondContact O-N 2.93Å; T483-A485 PolarHBondContact O-N 3.05Å; A485-W496 HydrophobicContact CB-CZ2 4.38Å
486Y91.8Very high94.4Very high121 Ų12122.4 Ų22.448%0.47512%0.124SC..Hα-helixtrans-96.9-26.4166.1-76.2-90.4000112.6H339 G482 T483 A484 F632H339-Y486 PolarHBondContact CE1-O 3.28Å; H339-Y486 VanDerWaalsContact CE1-O 3.26Å; H339-Y486 AromaticContact ND1-CD1 3.87Å; G482-Y486 WeakPolarHBondContact O-CD2 3.27Å; T483-Y486 PolarHBondContact O-N 3.04Å; A484-Y486 PolarHBondContact O-N 3.06Å; Y486-F632 HydrophobicContact CD2-CE1 4.45Å; Y486-F632 HydrophobicContact CG-CE1 4.44Å
487V94.7Very high94.4Very high1 Ų122.6 Ų22.61%0.00613%0.125CC..Hα-helixtrans-98.8-43-172.1-177.10000112.4I440 V457 L460 R461 T483 A484I440-V487 HydrophobicContact CG2-CG2 3.97Å; V457-V487 HydrophobicContact CG1-CG2 4.1Å; L460-V487 HydrophobicContact CB-CB 3.98Å; L460-V487 HydrophobicContact CB-CG1 3.81Å; L460-V487 HydrophobicContact CB-CG2 4.28Å; L460-V487 HydrophobicContact CD1-CG2 4.47Å; R461-V487 HydrophobicContact CG-CG1 3.97Å; T483-V487 PolarHBondContact O-N 2.68Å; A484-V487 PolarHBondContact O-N 3.49Å; A484-V487 VanDerWaalsContact O-N 3.11Å
488L95.6Very high94.5Very high2 Ų223.4 Ų23.41%0.0113%0.125CC..PPolyproline II helixtrans-83.4135.8-175.9-54.9-175.1000111.4R326 L460 V463 E464 I467 A484 W496 I527R326-L488 PolarHBondContact NH2-O 3.36Å; R326-L488 VanDerWaalsContact NH2-O 3.17Å; L460-L488 HydrophobicContact CD2-CD1 4.19Å; L460-L488 HydrophobicContact CD2-CD2 4.34Å; L460-L488 HydrophobicContact CD2-CG 4.25Å; L460-L488 WeakPolarHBondContact O-CD2 3.49Å; V463-L488 HydrophobicContact CG1-CD2 4.38Å; E464-L488 HydrophobicContact CB-CD2 3.79Å; E464-L488 WeakPolarHBondContact OE2-CA 3.41Å; I467-L488 HydrophobicContact CD1-CD1 4.22Å; I467-L488 HydrophobicContact CD1-CD2 4.37Å; A484-L488 HydrophobicContact CB-CD1 4.02Å; A484-L488 HydrophobicContact CB-CG 4.24Å; A484-L488 WeakPolarHBondContact O-CB 3.43Å; A484-L488 PolarHBondContact O-N 3.27Å; L488-W496 HydrophobicContact CB-CZ3 4.32Å; L488-I527 HydrophobicContact CD1-CD1 3.98Å; L488-I527 HydrophobicContact CD1-CG1 3.69Å
489K94.4Very high94.6Very high89 Ų8923.2 Ų23.239%0.38712%0.12SC..PPolyproline II helixtrans-95.6138.3177.7-60.8179.2-179.7-179.10110.4L338 E464 I473 R491L338-K489 HydrophobicContact CD1-CG 4.28Å; E464-K489 WeakPolarHBondContact OE1-CB 3.3Å; E464-K489 PolarHBondContact OE1-N 2.8Å; E464-K489 PolarHBondContact OE2-N 2.99Å; I473-K489 WeakPolarHBondContact CD1-O 3.34Å; K489-R491 PolarHBondContact O-NH1 3.11Å
490A95.3Very high94.6Very high10 Ų1023.6 Ų23.68%0.08313%0.127CC..PPolyproline II helixtrans-66.4144.616900000109.6R326 A330 W496R326-A490 HydrophobicContact CG-CB 4.24Å; A330-A490 WeakPolarHBondContact CB-O 3.36Å; A490-W496 HydrophobicContact CB-CB 4.03Å; A490-W496 HydrophobicContact CB-CD2 4.43Å; A490-W496 HydrophobicContact CB-CE3 3.94Å; A490-W496 HydrophobicContact CB-CG 4.49Å
491R94.7Very high94.4Very high21 Ų2124.6 Ų24.68%0.07914%0.136CC..  trans-91.12.9-172-64.8-48.4-171.2-1199.4115E464 I467 P468 K469 A471 I473 K489 K495E464-R491 VanDerWaalsContact CD-NH2 3.3Å; E464-R491 PolarHBondContact O-NH2 2.98Å; E464-R491 IonicContact OE1-CZ 3.44Å; E464-R491 IonicContact OE1-NH1 3.31Å; E464-R491 PolarHBondContact OE1-NH1 3.24Å; E464-R491 IonicContact OE1-NH2 3.31Å; E464-R491 PolarHBondContact OE1-NH2 3.08Å; E464-R491 IonicContact OE2-CZ 3.28Å; E464-R491 IonicContact OE2-NH1 2.72Å; E464-R491 PolarHBondContact OE2-NH1 3.46Å; E464-R491 IonicContact OE2-NH2 3.08Å; E464-R491 PolarHBondContact OE2-NH2 2.82Å; I467-R491 VanDerWaalsContact CB-NH2 3.33Å; I467-R491 HydrophobicContact CG2-CG 4.43Å; I467-R491 PolarHBondContact O-NH2 2.93Å; I467-R491 VanDerWaalsContact O-NH2 3.14Å; P468-R491 WeakPolarHBondContact O-CD 3.32Å; P468-R491 PolarHBondContact O-NE 3.03Å; P468-R491 VanDerWaalsContact O-NE 3.16Å; K469-R491 VanDerWaalsContact O-CB 3.31Å; K469-R491 WeakPolarHBondContact O-CB 3.28Å; A471-R491 HydrophobicContact CB-CG 4.43Å; A471-R491 WeakPolarHBondContact O-CB 3.39Å; A471-R491 WeakPolarHBondContact O-CG 3.27Å; I473-R491 HydrophobicContact CD1-CG 4.32Å; K489-R491 PolarHBondContact O-NH1 3.11Å; R491-K495 HydrophobicContact CB-CB 4.27Å; R491-K495 HydrophobicContact CB-CD 4.02Å
492G94.6Very high94.3Very high2 Ų228.5 Ų28.52%0.02115%0.152CC..SBendtrans146.2176.1-176.800000112.8G327 L494 K495G327-G492 CarbonylContact C-O 3.51Å; G327-G492 VanDerWaalsContact CA-O 3.32Å; G327-G492 WeakPolarHBondContact CA-O 3.24Å; G327-G492 CarbonylContact O-C 3.56Å; G327-G492 VanDerWaalsContact O-CA 3.3Å; G327-G492 WeakPolarHBondContact O-CA 3.27Å; G492-L494 PolarHBondContact O-N 2.93Å; G492-K495 WeakPolarHBondContact O-CB 3.31Å; G492-K495 PolarHBondContact O-N 3.04Å
493P94.5Very high94.3Very high38 Ų3829.8 Ų29.825%0.24717%0.166CC..THydrogen-bonded Turntrans-58136.7179.4-21.330.7000111.6M299 I305 G327 K495M299-P493 HydrophobicContact CE-CB 4.2Å; I305-P493 HydrophobicContact CG2-CB 3.49Å; I305-P493 VanDerWaalsContact CG2-CB 3.49Å; I305-P493 HydrophobicContact CG2-CG 3.85Å; G327-P493 VanDerWaalsContact O-N 3.09Å; P493-K495 PolarHBondContact O-N 3.02Å; P493-K495 VanDerWaalsContact O-N 3.15Å
494L94.4Very high94.4Very high24 Ų2430.2 Ų30.213%0.12617%0.169CC..THydrogen-bonded Turntrans58.518.5-178-48.4-175.7000115.1R114 L115 M299 P302 I305 G492R114-L494 WeakPolarHBondContact O-CD2 3.37Å; L115-L494 WeakPolarHBondContact CD2-O 3.3Å; M299-L494 HydrophobicContact CB-CD2 4.18Å; M299-L494 HydrophobicContact CE-CD2 3.66Å; M299-L494 HydrophobicContact CE-CG 4.27Å; P302-L494 HydrophobicContact CB-CD1 4.48Å; I305-L494 HydrophobicContact CD1-CD1 3.55Å; I305-L494 HydrophobicContact CD1-CD2 3.97Å; I305-L494 HydrophobicContact CD1-CG 3.63Å; G492-L494 PolarHBondContact O-N 2.93Å
495K95.8Very high94.5Very high46 Ų4633.1 Ų33.120%0.218%0.184CC..  trans-102.420.3176.5-60.3-171.3177-169.20114D470 I472 I473 R491 G492 P493D470-K495 VanDerWaalsContact CA-NZ 3.35Å; D470-K495 WeakPolarHBondContact O-CD 3.17Å; D470-K495 WeakPolarHBondContact O-CE 3.34Å; D470-K495 PolarHBondContact O-NZ 2.98Å; I472-K495 HydrophobicContact CG1-CB 4.46Å; I472-K495 HydrophobicContact CG1-CG 4.38Å; I473-K495 PolarHBondContact N-O 3.23Å; R491-K495 HydrophobicContact CB-CB 4.27Å; R491-K495 HydrophobicContact CB-CD 4.02Å; G492-K495 WeakPolarHBondContact O-CB 3.31Å; G492-K495 PolarHBondContact O-N 3.04Å; P493-K495 PolarHBondContact O-N 3.02Å; P493-K495 VanDerWaalsContact O-N 3.15Å
496W96.7Very high94.7Very high6 Ų632 Ų322%0.02318%0.175CC..EExtended strand (participates in β ladder)trans-137.9121.5178.8-176.7-80.8000110.1R326 I473 M475 A485 L488 A490 D498R326-W496 HydrophobicContact CB-CG 4.25Å; R326-W496 HydrophobicContact CG-CD2 4.47Å; R326-W496 HydrophobicContact CG-CG 4.48Å; R326-W496 VanDerWaalsContact NE-CZ2 3.3Å; I473-W496 HydrophobicContact CB-CE3 4.03Å; I473-W496 HydrophobicContact CB-CZ3 4.32Å; I473-W496 HydrophobicContact CD1-CE3 4.32Å; I473-W496 HydrophobicContact CD1-CZ3 4.2Å; I473-W496 HydrophobicContact CG2-CE3 4.17Å; I473-W496 HydrophobicContact CG2-CZ3 4.01Å; I473-W496 WeakPolarHBondContact O-CA 3.39Å; M475-W496 HydrophobicContact CE-CH2 3.95Å; M475-W496 HydrophobicContact CE-CZ2 4.12Å; M475-W496 HydrophobicContact CG-CD2 4.44Å; M475-W496 HydrophobicContact CG-CH2 3.82Å; M475-W496 HydrophobicContact CG-CZ2 3.4Å; M475-W496 HydrophobicContact CG-CZ3 4.49Å; M475-W496 HydrophobicContact SD-CH2 3.78Å; M475-W496 HydrophobicContact SD-CZ2 3.99Å; M475-W496 HydrophobicContact SD-CZ3 4.35Å; A485-W496 HydrophobicContact CB-CZ2 4.38Å; L488-W496 HydrophobicContact CB-CZ3 4.32Å; A490-W496 HydrophobicContact CB-CB 4.03Å; A490-W496 HydrophobicContact CB-CD2 4.43Å; A490-W496 HydrophobicContact CB-CE3 3.94Å; A490-W496 HydrophobicContact CB-CG 4.49Å; W496-D498 VanDerWaalsContact CD1-OD2 3.3Å; W496-D498 PolarHBondContact NE1-OD2 3.23Å
497L97.6Very high95Very high4 Ų426.3 Ų26.32%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-122.3127.8178.2-64.9174.8000109.9A111 R114 L115 I472 I473 V474 M475 F511 A515A111-L497 HydrophobicContact CB-CD1 4.06Å; R114-L497 HydrophobicContact CB-CD2 3.83Å; L115-L497 HydrophobicContact CD1-CD1 4.25Å; L115-L497 HydrophobicContact CD2-CD1 4.31Å; L115-L497 HydrophobicContact CD2-CD2 4.46Å; L115-L497 HydrophobicContact CG-CD1 4.38Å; I472-L497 HydrophobicContact CG2-CD1 4.4Å; I473-L497 PolarHBondContact O-N 3.19Å; V474-L497 CarbonylContact C-O 3.59Å; V474-L497 WeakPolarHBondContact CA-O 3.36Å; V474-L497 HydrophobicContact CG2-CB 4.29Å; V474-L497 HydrophobicContact CG2-CD1 4.23Å; M475-L497 PolarHBondContact N-O 3.1Å; L497-F511 HydrophobicContact CB-CD2 3.82Å; L497-F511 HydrophobicContact CB-CE2 4.46Å; L497-F511 HydrophobicContact CD1-CB 4.22Å; L497-A515 HydrophobicContact CD1-CB 4.15Å
498D95.9Very high95.1Very high33 Ų3326.2 Ų26.218%0.17615%0.152CC..  trans-144.1160.417769.155.5000109.9R114 M475 W496 G500R114-D498 PolarHBondContact NH1-O 2.88Å; M475-D498 HydrophobicContact CB-CB 4.04Å; W496-D498 VanDerWaalsContact CD1-OD2 3.3Å; W496-D498 PolarHBondContact NE1-OD2 3.23Å; D498-G500 PolarHBondContact O-N 2.9Å; D498-G500 VanDerWaalsContact OD1-CA 3.23Å; D498-G500 WeakPolarHBondContact OD1-CA 3.42Å; D498-G500 PolarHBondContact OD1-N 2.92Å
499P94.3Very high95.2Very high17 Ų1726.3 Ų26.311%0.1115%0.153CC..  trans-65.9-7.2-178.225.8-36.2000114.2N139 M475 T504 V507N139-P499 PolarHBondContact OD1-O 3.42Å; M475-P499 VanDerWaalsContact O-CD 3.3Å; M475-P499 WeakPolarHBondContact O-CD 3.45Å; P499-T504 WeakPolarHBondContact CB-O 3.37Å; P499-T504 WeakPolarHBondContact CG-O 3.33Å; P499-V507 HydrophobicContact CB-CG1 4.02Å; P499-V507 HydrophobicContact CB-CG2 4.22Å
500G91.2Very high95.4Very high19 Ų1922.1 Ų22.120%0.19614%0.135CC..G310 helixtrans68.4-150.3179.100000113.1D498 F502 G503D498-G500 PolarHBondContact O-N 2.9Å; D498-G500 VanDerWaalsContact OD1-CA 3.23Å; D498-G500 WeakPolarHBondContact OD1-CA 3.42Å; D498-G500 PolarHBondContact OD1-N 2.92Å; G500-F502 VanDerWaalsContact C-N 3.25Å; G500-F502 PolarHBondContact O-N 3.29Å; G500-G503 PolarHBondContact O-N 2.84Å
501A89.6Confident95.6Very high25 Ų2521.6 Ų21.621%0.20713%0.131CC..G310 helixtrans-69.1-20.2-171.200000114.1F360 G503F360-A501 HydrophobicContact CE1-CB 4.32Å; F360-A501 WeakPolarHBondContact CE1-O 3.26Å; A501-G503 VanDerWaalsContact C-N 3.33Å
502F93.2Very high95.8Very high93 Ų9320.6 Ų20.641%0.40813%0.127SC..G310 helixtrans-78.2-21.9179.8-165-137.7000112.3T135 Q138 N139 M142 G500 T504T135-F502 HydrophobicContact CG2-CE1 4.31Å; Q138-F502 HydrophobicContact CB-CD1 4.33Å; Q138-F502 HydrophobicContact CB-CE1 3.87Å; Q138-F502 HydrophobicContact CB-CZ 4.26Å; Q138-F502 HydrophobicContact CG-CD1 3.93Å; Q138-F502 HydrophobicContact CG-CD2 4.29Å; Q138-F502 HydrophobicContact CG-CE1 3.54Å; Q138-F502 HydrophobicContact CG-CE2 3.91Å; Q138-F502 HydrophobicContact CG-CG 4.34Å; Q138-F502 HydrophobicContact CG-CZ 3.54Å; N139-F502 HydrophobicContact CB-CD1 4.34Å; M142-F502 HydrophobicContact CB-CB 4.02Å; M142-F502 HydrophobicContact CG-CB 3.99Å; M142-F502 HydrophobicContact CG-CD2 4.44Å; M142-F502 HydrophobicContact CG-CG 4.28Å; G500-F502 VanDerWaalsContact C-N 3.25Å; G500-F502 PolarHBondContact O-N 3.29Å; F502-T504 VanDerWaalsContact C-N 3.28Å; F502-T504 WeakPolarHBondContact CD1-OG1 3.21Å; F502-T504 PolarHBondContact O-N 2.79Å
503G92.8Very high95.9Very high45 Ų4520.6 Ų20.646%0.46413%0.127SC..  trans67.726.5175.600000114.2G500 A501 L505G500-G503 PolarHBondContact O-N 2.84Å; A501-G503 VanDerWaalsContact C-N 3.33Å; G503-L505 PolarHBondContact O-N 3.37Å
504T96.7Very high96.1Very high10 Ų1018.8 Ų18.86%0.06112%0.115CC..  trans-60.2127.7-179.4-41.50000111.7F107 T135 N139 P499 F502 V507F107-T504 HydrophobicContact CE1-CG2 4.03Å; F107-T504 HydrophobicContact CZ-CG2 3.68Å; T135-T504 HydrophobicContact CG2-CG2 3.57Å; N139-T504 WeakPolarHBondContact OD1-CB 3.3Å; N139-T504 PolarHBondContact OD1-OG1 3.34Å; P499-T504 WeakPolarHBondContact CB-O 3.37Å; P499-T504 WeakPolarHBondContact CG-O 3.33Å; F502-T504 VanDerWaalsContact C-N 3.28Å; F502-T504 WeakPolarHBondContact CD1-OG1 3.21Å; F502-T504 PolarHBondContact O-N 2.79Å; T504-V507 HydrophobicContact CG2-CG1 4.02Å
505L96.9Very high96.3Very high61 Ų6117.6 Ų17.632%0.31911%0.109SC..SBendtrans-90.3145.3169.1-55.9-179.6000109.9D476 G503 A532 F535 W560D476-L505 WeakPolarHBondContact OD1-CA 3.34Å; G503-L505 PolarHBondContact O-N 3.37Å; L505-A532 HydrophobicContact CB-CB 4.23Å; L505-A532 HydrophobicContact CD2-CB 4.18Å; L505-F535 HydrophobicContact CB-CD2 4.44Å; L505-F535 HydrophobicContact CB-CE2 4.44Å; L505-W560 HydrophobicContact CD1-CE3 4.33Å; L505-W560 HydrophobicContact CD1-CH2 4.4Å; L505-W560 HydrophobicContact CD1-CZ3 3.65Å
506G97.2Very high96.4Very high6 Ų616.7 Ų16.76%0.06211%0.105CC..SBendtrans95.39.5179.400000114.9D476 G508D476-G506 VanDerWaalsContact CG-N 3.35Å; D476-G506 PolarHBondContact OD1-N 3.15Å; D476-G506 WeakPolarHBondContact OD2-CA 3.4Å; D476-G506 PolarHBondContact OD2-N 2.63Å; G506-G508 VanDerWaalsContact C-N 3.28Å; G506-G508 PolarHBondContact O-N 2.83Å
507V98.2Very high96.4Very high0 Ų017.1 Ų17.10%011%0.107CC..  trans-72.2-22.3177.2-540000113.2F107 D476 P499 T504 A509 G510 F511F107-V507 HydrophobicContact CD1-CB 4.14Å; F107-V507 HydrophobicContact CD1-CG1 3.78Å; F107-V507 HydrophobicContact CE1-CB 4.3Å; F107-V507 HydrophobicContact CE1-CG1 3.48Å; F107-V507 VanDerWaalsContact CE1-CG1 3.48Å; F107-V507 HydrophobicContact CE2-CG1 4.43Å; F107-V507 HydrophobicContact CG-CB 4.37Å; F107-V507 HydrophobicContact CG-CG1 4.4Å; F107-V507 HydrophobicContact CZ-CG1 3.86Å; D476-V507 HydrophobicContact CB-CG2 4Å; D476-V507 PolarHBondContact OD2-N 2.67Å; P499-V507 HydrophobicContact CB-CG1 4.02Å; P499-V507 HydrophobicContact CB-CG2 4.22Å; T504-V507 HydrophobicContact CG2-CG1 4.02Å; V507-A509 PolarHBondContact O-N 3.21Å; V507-G510 PolarHBondContact O-N 3.38Å; V507-F511 HydrophobicContact CB-CD1 4.28Å; V507-F511 HydrophobicContact CB-CD2 4.13Å; V507-F511 HydrophobicContact CB-CE1 4.22Å; V507-F511 HydrophobicContact CB-CE2 4.06Å; V507-F511 HydrophobicContact CB-CG 4.26Å; V507-F511 HydrophobicContact CB-CZ 4.11Å; V507-F511 HydrophobicContact CG1-CZ 4.47Å; V507-F511 HydrophobicContact CG2-CD2 3.9Å; V507-F511 HydrophobicContact CG2-CE2 3.95Å; V507-F511 HydrophobicContact CG2-CG 4.42Å; V507-F511 HydrophobicContact CG2-CZ 4.5Å; V507-F511 WeakPolarHBondContact O-CB 3.46Å; V507-F511 PolarHBondContact O-N 2.73Å
508G98.1Very high96.4Very high0 Ų017.8 Ų17.80%011%0.112CC..Hα-helixtrans-61-46.7-159.600000114D476 G506 F511 A512D476-G508 PolarHBondContact OD2-N 2.9Å; G506-G508 VanDerWaalsContact C-N 3.28Å; G506-G508 PolarHBondContact O-N 2.83Å; G508-F511 PolarHBondContact O-N 3.39Å; G508-A512 VanDerWaalsContact O-CB 3.27Å; G508-A512 WeakPolarHBondContact O-CB 3.45Å; G508-A512 PolarHBondContact O-N 3.07Å
509A97.9Very high96.4Very high3 Ų319.4 Ų19.43%0.02512%0.119CC..Hα-helixtrans-64.6-46.1179.400000112.8T104 V507 F511 A512 L513 S536 E539T104-A509 HydrophobicContact CG2-CB 4.46Å; V507-A509 PolarHBondContact O-N 3.21Å; A509-F511 VanDerWaalsContact C-N 3.34Å; A509-F511 PolarHBondContact O-N 3.22Å; A509-A512 PolarHBondContact O-N 3.02Å; A509-L513 WeakPolarHBondContact O-CB 3.26Å; A509-L513 PolarHBondContact O-N 3.11Å; A509-S536 PolarHBondContact N-OG 2.82Å; A509-E539 HydrophobicContact CB-CB 3.45Å; A509-E539 VanDerWaalsContact CB-CB 3.45Å; A509-E539 HydrophobicContact CB-CG 3.93Å
510G98.5Very high96.5Very high1 Ų122.2 Ų22.21%0.0114%0.137CC..Hα-helixtrans-62.3-43.717800000111.4A108 V507 A512 L513 G514A108-G510 WeakPolarHBondContact CA-O 3.16Å; A108-G510 VanDerWaalsContact CB-O 3.29Å; A108-G510 WeakPolarHBondContact CB-O 3.39Å; V507-G510 PolarHBondContact O-N 3.38Å; G510-A512 PolarHBondContact O-N 2.93Å; G510-L513 PolarHBondContact O-N 3.04Å; G510-G514 PolarHBondContact O-N 3.21Å
511F98.7Very high96.7Very high0 Ų028.5 Ų28.50%017%0.166CC..Hα-helixtrans-64.3-41.7178.3-78.813.6000112.8F107 D110 A111 V474 L497 V507 G508 A509 G514 A515F107-F511 HydrophobicContact CB-CD1 3.98Å; F107-F511 HydrophobicContact CB-CE1 4.03Å; F107-F511 HydrophobicContact CD1-CE1 4.12Å; F107-F511 HydrophobicContact CG-CE1 4.49Å; F107-F511 WeakPolarHBondContact O-CD1 3.35Å; F107-F511 VanDerWaalsContact O-CE1 3.29Å; F107-F511 WeakPolarHBondContact O-CE1 3.18Å; D110-F511 HydrophobicContact CB-CE1 4.08Å; A111-F511 HydrophobicContact CB-CB 4.13Å; A111-F511 HydrophobicContact CB-CD1 3.69Å; A111-F511 HydrophobicContact CB-CE1 4.31Å; A111-F511 HydrophobicContact CB-CG 4.01Å; V474-F511 HydrophobicContact CG1-CB 3.64Å; V474-F511 HydrophobicContact CG1-CD2 4.37Å; V474-F511 HydrophobicContact CG2-CB 4.37Å; L497-F511 HydrophobicContact CB-CD2 3.82Å; L497-F511 HydrophobicContact CB-CE2 4.46Å; L497-F511 HydrophobicContact CD1-CB 4.22Å; V507-F511 HydrophobicContact CB-CD1 4.28Å; V507-F511 HydrophobicContact CB-CD2 4.13Å; V507-F511 HydrophobicContact CB-CE1 4.22Å; V507-F511 HydrophobicContact CB-CE2 4.06Å; V507-F511 HydrophobicContact CB-CG 4.26Å; V507-F511 HydrophobicContact CB-CZ 4.11Å; V507-F511 HydrophobicContact CG1-CZ 4.47Å; V507-F511 HydrophobicContact CG2-CD2 3.9Å; V507-F511 HydrophobicContact CG2-CE2 3.95Å; V507-F511 HydrophobicContact CG2-CG 4.42Å; V507-F511 HydrophobicContact CG2-CZ 4.5Å; V507-F511 WeakPolarHBondContact O-CB 3.46Å; V507-F511 PolarHBondContact O-N 2.73Å; G508-F511 PolarHBondContact O-N 3.39Å; A509-F511 VanDerWaalsContact C-N 3.34Å; A509-F511 PolarHBondContact O-N 3.22Å; F511-G514 PolarHBondContact O-N 3.08Å; F511-A515 VanDerWaalsContact O-CB 3.3Å; F511-A515 WeakPolarHBondContact O-CB 3.47Å; F511-A515 PolarHBondContact O-N 3.22Å
512A98.5Very high96.9Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-67.5-39177.600000112.5V474 G508 A509 G510 A515 K516 V524 I526 V550V474-A512 HydrophobicContact CG2-CB 4.34Å; G508-A512 VanDerWaalsContact O-CB 3.27Å; G508-A512 WeakPolarHBondContact O-CB 3.45Å; G508-A512 PolarHBondContact O-N 3.07Å; A509-A512 PolarHBondContact O-N 3.02Å; G510-A512 PolarHBondContact O-N 2.93Å; A512-A515 PolarHBondContact O-N 2.93Å; A512-K516 WeakPolarHBondContact O-CB 3.27Å; A512-K516 PolarHBondContact O-N 3.26Å; A512-V524 HydrophobicContact CB-CG1 4.02Å; A512-I526 HydrophobicContact CB-CD1 3.28Å; A512-I526 HydrophobicContact CB-CG1 3.68Å; A512-V550 HydrophobicContact CB-CG1 4.21Å
513L98.2Very high97.1Very high1 Ų126.2 Ų26.21%0.00516%0.157CC..Hα-helixtrans-60.2-49.7174-177.263.2000110.9F75 V97 T99 A108 A509 G510 A515 K516 L517 L543 H546 T548F75-L513 HydrophobicContact CD1-CD2 4.42Å; F75-L513 HydrophobicContact CE1-CD2 4.39Å; F75-L513 HydrophobicContact CE1-CG 4.37Å; V97-L513 HydrophobicContact CG1-CD1 4.25Å; V97-L513 HydrophobicContact CG1-CD2 3.79Å; V97-L513 HydrophobicContact CG1-CG 4.24Å; T99-L513 HydrophobicContact CG2-CD2 3.82Å; A108-L513 HydrophobicContact CB-CD2 4.42Å; A509-L513 WeakPolarHBondContact O-CB 3.26Å; A509-L513 PolarHBondContact O-N 3.11Å; G510-L513 PolarHBondContact O-N 3.04Å; L513-A515 PolarHBondContact O-N 3.11Å; L513-K516 PolarHBondContact O-N 3.25Å; L513-L517 HydrophobicContact CD1-CD1 4.26Å; L513-L517 HydrophobicContact CG-CD1 4.19Å; L513-L517 VanDerWaalsContact O-CG 3.27Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.23Å; L513-L517 VanDerWaalsContact O-N 3.11Å; L513-L543 HydrophobicContact CB-CD2 4.42Å; L513-H546 HydrophobicContact CD1-CB 4.31Å; L513-T548 HydrophobicContact CD1-CG2 3.84Å
514G98.3Very high97.3Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-59.5-44.1174.900000112.6G510 F511 L517 C518G510-G514 PolarHBondContact O-N 3.21Å; F511-G514 PolarHBondContact O-N 3.08Å; G514-L517 PolarHBondContact O-N 3.33Å; G514-C518 PolarHBondContact O-N 2.86Å
515A98.4Very high97.3Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-59.5-47.7177.300000113.2L115 I472 L497 F511 A512 L513 L517 C518 H519 V524L115-A515 VanDerWaalsContact CD1-CA 3.41Å; L115-A515 HydrophobicContact CD1-CB 4Å; I472-A515 HydrophobicContact CD1-CB 4.11Å; I472-A515 HydrophobicContact CG2-CB 4.04Å; L497-A515 HydrophobicContact CD1-CB 4.15Å; F511-A515 VanDerWaalsContact O-CB 3.3Å; F511-A515 WeakPolarHBondContact O-CB 3.47Å; F511-A515 PolarHBondContact O-N 3.22Å; A512-A515 PolarHBondContact O-N 2.93Å; L513-A515 PolarHBondContact O-N 3.11Å; A515-L517 VanDerWaalsContact C-N 3.31Å; A515-L517 PolarHBondContact O-N 3.12Å; A515-C518 PolarHBondContact O-N 2.83Å; A515-H519 PolarHBondContact O-N 3.23Å; A515-V524 HydrophobicContact CB-CG1 4.16Å; A515-V524 HydrophobicContact CB-CG2 4.06Å
516K97.5Very high97.4Very high27 Ų2721.1 Ų21.112%0.11712%0.119CC..Hα-helixtrans-69.2-31.2-178.4-166.262.1179.8172.80112.3A512 L513 H519 P520 L522 V524 T548 P549A512-K516 WeakPolarHBondContact O-CB 3.27Å; A512-K516 PolarHBondContact O-N 3.26Å; L513-K516 PolarHBondContact O-N 3.25Å; K516-H519 CarbonylContact O-C 3.55Å; K516-H519 VanDerWaalsContact O-C 3.26Å; K516-P520 WeakPolarHBondContact CE-O 3.48Å; K516-P520 PolarHBondContact NZ-O 3.47Å; K516-P520 WeakPolarHBondContact O-CA 3.29Å; K516-P520 VanDerWaalsContact O-N 3.11Å; K516-L522 PolarHBondContact NZ-O 3.03Å; K516-V524 HydrophobicContact CB-CG2 4.16Å; K516-V524 HydrophobicContact CD-CG2 3.94Å; K516-T548 HydrophobicContact CB-CG2 4.11Å; K516-T548 HydrophobicContact CG-CG2 4Å; K516-P549 WeakPolarHBondContact CE-O 3.49Å
517L97.4Very high97.5Very high14 Ų1420.9 Ų20.97%0.07312%0.116CC..Hα-helixtrans-73.1-42.2175.8-69.5168.7000112.6W73 F75 V97 L513 G514 A515 H519 T548W73-L517 HydrophobicContact CD2-CB 4.3Å; W73-L517 HydrophobicContact CG-CD1 4.44Å; W73-L517 WeakPolarHBondContact CH2-O 3.46Å; W73-L517 HydrophobicContact CZ2-CB 4.14Å; W73-L517 WeakPolarHBondContact CZ2-O 3.23Å; F75-L517 HydrophobicContact CE1-CD1 3.55Å; F75-L517 HydrophobicContact CZ-CD1 3.84Å; V97-L517 HydrophobicContact CG1-CD1 4.16Å; V97-L517 HydrophobicContact CG2-CD1 3.86Å; L513-L517 HydrophobicContact CD1-CD1 4.26Å; L513-L517 HydrophobicContact CG-CD1 4.19Å; L513-L517 VanDerWaalsContact O-CG 3.27Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.23Å; L513-L517 VanDerWaalsContact O-N 3.11Å; G514-L517 PolarHBondContact O-N 3.33Å; A515-L517 VanDerWaalsContact C-N 3.31Å; A515-L517 PolarHBondContact O-N 3.12Å; L517-H519 VanDerWaalsContact C-N 3.31Å; L517-H519 PolarHBondContact O-N 2.54Å; L517-T548 HydrophobicContact CD2-CG2 4.33Å; L517-T548 HydrophobicContact CG-CG2 4.45Å
518C97.3Very high97.5Very high18 Ų1821 Ų2112%0.12212%0.116CC..Hα-helixtrans-65.2-35.4174.1-75.70000112.4L115 G514 A515L115-C518 HydrophobicContact CB-CB 4.29Å; L115-C518 HydrophobicContact CD1-CB 3.98Å; G514-C518 PolarHBondContact O-N 2.86Å; A515-C518 PolarHBondContact O-N 2.83Å
519H96.8Very high97.4Very high67 Ų6721.3 Ų21.331%0.3112%0.12SC..  trans-133.574.7-175.8-60.8-68.5000111.3I472 A515 K516 L517 D521 L522I472-H519 HydrophobicContact CD1-CB 3.93Å; I472-H519 VanDerWaalsContact CD1-CD2 3.49Å; I472-H519 WeakPolarHBondContact CD1-CD2 3.36Å; A515-H519 PolarHBondContact O-N 3.23Å; K516-H519 CarbonylContact O-C 3.55Å; K516-H519 VanDerWaalsContact O-C 3.26Å; L517-H519 VanDerWaalsContact C-N 3.31Å; L517-H519 PolarHBondContact O-N 2.54Å; H519-D521 PolarHBondContact O-N 3.49Å; H519-L522 HydrophobicContact CB-CB 3.93Å; H519-L522 HydrophobicContact CB-CD1 3.74Å; H519-L522 HydrophobicContact CB-CG 3.84Å; H519-L522 PolarHBondContact O-N 3.48Å; H519-L522 VanDerWaalsContact O-N 3.16Å
520P95.4Very high97.4Very high77 Ų7721.4 Ų21.450%0.512%0.12SC..THydrogen-bonded Turntrans-61.1-29.7-175.423.9-34.3000113.3K516K516-P520 WeakPolarHBondContact CE-O 3.48Å; K516-P520 PolarHBondContact NZ-O 3.47Å; K516-P520 WeakPolarHBondContact O-CA 3.29Å; K516-P520 VanDerWaalsContact O-N 3.11Å
521D94.5Very high97.3Very high151 Ų15121.6 Ų21.681%0.80712%0.122SC*.THydrogen-bonded Turntrans-86.3-17.3-177.9-54.3-46.3000113.2H519H519-D521 PolarHBondContact O-N 3.49Å
522L95.4Very high97.2Very high32 Ų3221.7 Ų21.717%0.16812%0.122CC..SBendtrans-83.1143.2-178.6-62.7-174.6000111.4D470 I472 K516 H519D470-L522 HydrophobicContact CB-CD2 4.22Å; I472-L522 HydrophobicContact CD1-CD1 4.22Å; I472-L522 HydrophobicContact CG1-CD1 4.27Å; K516-L522 PolarHBondContact NZ-O 3.03Å; H519-L522 HydrophobicContact CB-CB 3.93Å; H519-L522 HydrophobicContact CB-CD1 3.74Å; H519-L522 HydrophobicContact CB-CG 3.84Å; H519-L522 PolarHBondContact O-N 3.48Å; H519-L522 VanDerWaalsContact O-N 3.16Å
523P95.7Very high97.2Very high38 Ų3821.7 Ų21.725%0.24712%0.123CC..  trans-64.4135.2167.1-18.931.7000110.4P468 A471 I472P468-P523 HydrophobicContact CB-CG 4.06Å; P468-P523 HydrophobicContact CG-CB 4.16Å; P468-P523 HydrophobicContact CG-CG 3.88Å; A471-P523 CarbonylContact C-O 3.56Å; A471-P523 VanDerWaalsContact CA-O 3.24Å; A471-P523 WeakPolarHBondContact CA-O 3.4Å; A471-P523 HydrophobicContact CB-CB 3.97Å; I472-P523 PolarHBondContact N-O 3.4Å
524V97.5Very high97.1Very high3 Ų323.5 Ų23.52%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-117.1122.3174.4178.40000108.5I472 V474 A512 A515 K516 V550 I551I472-V524 HydrophobicContact CB-CG2 4.39Å; I472-V524 WeakPolarHBondContact O-CA 3.45Å; V474-V524 HydrophobicContact CG2-CG1 4.24Å; A512-V524 HydrophobicContact CB-CG1 4.02Å; A515-V524 HydrophobicContact CB-CG1 4.16Å; A515-V524 HydrophobicContact CB-CG2 4.06Å; K516-V524 HydrophobicContact CB-CG2 4.16Å; K516-V524 HydrophobicContact CD-CG2 3.94Å; V524-V550 HydrophobicContact CB-CG1 4.05Å; V524-V550 HydrophobicContact CG1-CG1 4.06Å; V524-V550 WeakPolarHBondContact O-CA 3.36Å; V524-I551 PolarHBondContact O-N 3.1Å
525W97.8Very high97.1Very high5 Ų529.9 Ų29.92%0.01917%0.169CC..EExtended strand (participates in β ladder)trans-113.7136.5178.9-77.571.1000110.3V463 L466 I467 I472 I473 V474 I551 I553 V611V463-W525 HydrophobicContact CG1-CE3 4.41Å; V463-W525 HydrophobicContact CG1-CZ3 4.16Å; L466-W525 HydrophobicContact CB-CH2 3.9Å; L466-W525 HydrophobicContact CB-CZ2 4.39Å; I467-W525 HydrophobicContact CD1-CD2 4.38Å; I467-W525 HydrophobicContact CD1-CE3 4.26Å; I467-W525 HydrophobicContact CD1-CG 4.5Å; I467-W525 HydrophobicContact CG1-CB 4.41Å; I467-W525 HydrophobicContact CG1-CD2 3.56Å; I467-W525 HydrophobicContact CG1-CE3 3.67Å; I467-W525 HydrophobicContact CG1-CG 3.9Å; I467-W525 HydrophobicContact CG1-CH2 4.37Å; I467-W525 HydrophobicContact CG1-CZ2 4.31Å; I467-W525 HydrophobicContact CG1-CZ3 4.08Å; I467-W525 HydrophobicContact CG2-CG 4.48Å; I472-W525 PolarHBondContact O-N 3.36Å; I473-W525 CarbonylContact C-O 3.6Å; I473-W525 WeakPolarHBondContact CA-O 3.39Å; V474-W525 PolarHBondContact N-O 3.32Å; W525-I551 CarbonylContact C-O 3.52Å; W525-I551 VanDerWaalsContact CA-O 3.23Å; W525-I551 WeakPolarHBondContact CA-O 3.2Å; W525-I551 HydrophobicContact CD2-CB 3.87Å; W525-I551 HydrophobicContact CD2-CG2 4.05Å; W525-I551 HydrophobicContact CE3-CB 4.05Å; W525-I551 HydrophobicContact CE3-CG2 3.72Å; W525-I551 HydrophobicContact CG-CB 4.39Å; W525-I551 HydrophobicContact CH2-CB 4.45Å; W525-I551 HydrophobicContact CH2-CD1 4.24Å; W525-I551 HydrophobicContact CH2-CG2 3.79Å; W525-I551 HydrophobicContact CZ2-CB 4.26Å; W525-I551 HydrophobicContact CZ2-CD1 3.58Å; W525-I551 HydrophobicContact CZ2-CG2 4.08Å; W525-I551 HydrophobicContact CZ3-CB 4.34Å; W525-I551 HydrophobicContact CZ3-CG2 3.59Å; W525-I553 HydrophobicContact CE3-CG1 4.15Å; W525-I553 HydrophobicContact CZ3-CD1 3.98Å; W525-I553 HydrophobicContact CZ3-CG1 3.97Å; W525-V611 HydrophobicContact CH2-CG1 3.92Å; W525-V611 HydrophobicContact CZ2-CG1 4.14Å
526I98.3Very high97.1Very high1 Ų130 Ų301%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-118.6129.6177.4-39.8171.1000109V474 A512 F528 V550 I551 A552 I553V474-I526 HydrophobicContact CB-CB 4.41Å; V474-I526 HydrophobicContact CB-CG1 4.3Å; V474-I526 HydrophobicContact CB-CG2 4.02Å; V474-I526 HydrophobicContact CG1-CG2 4.02Å; V474-I526 CarbonylContact O-C 3.54Å; V474-I526 WeakPolarHBondContact O-CA 3.46Å; A512-I526 HydrophobicContact CB-CD1 3.28Å; A512-I526 HydrophobicContact CB-CG1 3.68Å; I526-F528 HydrophobicContact CB-CD2 4.1Å; I526-F528 HydrophobicContact CB-CE2 3.73Å; I526-F528 HydrophobicContact CB-CZ 4.34Å; I526-F528 HydrophobicContact CD1-CE2 3.9Å; I526-F528 HydrophobicContact CD1-CZ 4.23Å; I526-F528 HydrophobicContact CG1-CE2 4.44Å; I526-F528 HydrophobicContact CG2-CD1 4.31Å; I526-F528 HydrophobicContact CG2-CD2 3.62Å; I526-F528 HydrophobicContact CG2-CE1 3.97Å; I526-F528 HydrophobicContact CG2-CE2 3.22Å; I526-F528 HydrophobicContact CG2-CG 4.16Å; I526-F528 HydrophobicContact CG2-CZ 3.42Å; I526-F528 VanDerWaalsContact CG2-CZ 3.42Å; I526-V550 HydrophobicContact CD1-CB 4.34Å; I526-V550 HydrophobicContact CD1-CG2 3.96Å; I526-I551 PolarHBondContact N-O 3.2Å; I526-A552 HydrophobicContact CB-CB 4.23Å; I526-A552 HydrophobicContact CD1-CB 4.47Å; I526-A552 CarbonylContact O-C 2.95Å; I526-A552 VanDerWaalsContact O-CA 3.31Å; I526-A552 WeakPolarHBondContact O-CA 3.35Å; I526-I553 PolarHBondContact O-N 2.96Å
527I98.5Very high97.1Very high0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-109.5111.2173.5-48.5-61.1000107.6L460 V463 I473 V474 M475 D476 F480 V481 A484 L488 I553L460-I527 HydrophobicContact CD2-CG2 4.44Å; V463-I527 HydrophobicContact CG1-CD1 4.15Å; I473-I527 HydrophobicContact CG2-CG1 4.35Å; V474-I527 PolarHBondContact O-N 2.92Å; M475-I527 HydrophobicContact CE-CB 4.2Å; M475-I527 HydrophobicContact CE-CG2 4.43Å; M475-I527 HydrophobicContact SD-CB 3.8Å; M475-I527 HydrophobicContact SD-CG1 3.81Å; D476-I527 PolarHBondContact N-O 3.43Å; F480-I527 HydrophobicContact CD1-CG2 4.05Å; F480-I527 HydrophobicContact CE1-CG2 3.54Å; F480-I527 HydrophobicContact CZ-CG2 4.38Å; V481-I527 HydrophobicContact CG2-CG2 4.29Å; V481-I527 WeakPolarHBondContact CG2-O 3.42Å; A484-I527 HydrophobicContact CB-CG2 3.95Å; L488-I527 HydrophobicContact CD1-CD1 3.98Å; L488-I527 HydrophobicContact CD1-CG1 3.69Å; I527-I553 HydrophobicContact CD1-CB 3.99Å; I527-I553 HydrophobicContact CD1-CG1 4.08Å
528F98.4Very high97.1Very high2 Ų231.7 Ų31.71%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-105.3146.5-179.5-75.1-70.6000111.8D476 F480 I526 F533 A552 I553 I554 G555D476-F528 HydrophobicContact CB-CD1 3.77Å; D476-F528 HydrophobicContact CB-CE1 3.8Å; D476-F528 VanDerWaalsContact O-CA 3.25Å; D476-F528 WeakPolarHBondContact O-CA 3.38Å; D476-F528 WeakPolarHBondContact OD2-CE1 3.47Å; F480-F528 VanDerWaalsContact CD1-O 3.3Å; F480-F528 WeakPolarHBondContact CD1-O 3.36Å; I526-F528 HydrophobicContact CB-CD2 4.1Å; I526-F528 HydrophobicContact CB-CE2 3.73Å; I526-F528 HydrophobicContact CB-CZ 4.34Å; I526-F528 HydrophobicContact CD1-CE2 3.9Å; I526-F528 HydrophobicContact CD1-CZ 4.23Å; I526-F528 HydrophobicContact CG1-CE2 4.44Å; I526-F528 HydrophobicContact CG2-CD1 4.31Å; I526-F528 HydrophobicContact CG2-CD2 3.62Å; I526-F528 HydrophobicContact CG2-CE1 3.97Å; I526-F528 HydrophobicContact CG2-CE2 3.22Å; I526-F528 HydrophobicContact CG2-CG 4.16Å; I526-F528 HydrophobicContact CG2-CZ 3.42Å; I526-F528 VanDerWaalsContact CG2-CZ 3.42Å; F528-F533 HydrophobicContact CB-CB 3.94Å; F528-F533 HydrophobicContact CD1-CB 4.12Å; F528-F533 HydrophobicContact CD1-CD2 4.39Å; F528-F533 AromaticContact CD2-CD2 3.82Å; F528-F533 HydrophobicContact CD2-CD2 3.82Å; F528-F533 HydrophobicContact CE1-CD2 4.43Å; F528-F533 AromaticContact CE2-CD2 3.86Å; F528-F533 HydrophobicContact CE2-CD2 3.86Å; F528-F533 HydrophobicContact CE2-CE2 4.37Å; F528-F533 HydrophobicContact CG-CB 3.98Å; F528-F533 HydrophobicContact CG-CD2 4.09Å; F528-F533 HydrophobicContact CG-CG 4.46Å; F528-F533 HydrophobicContact CZ-CD2 4.17Å; F528-A552 HydrophobicContact CD2-CB 4.12Å; F528-A552 HydrophobicContact CE2-CB 4.11Å; F528-I553 PolarHBondContact N-O 3.38Å; F528-I554 HydrophobicContact CB-CG1 4.27Å; F528-I554 HydrophobicContact CD2-CG1 4.45Å; F528-G555 PolarHBondContact O-N 3.29Å
529G97.5Very high97.1Very high8 Ų831.1 Ų31.18%0.08218%0.182CC..EExtended strand (participates in β ladder)trans-83.3146.5146.900000109.8D476 G531 A532 F533D476-G529 PolarHBondContact O-N 3.33Å; D476-G529 VanDerWaalsContact O-N 3.08Å; G529-G531 VanDerWaalsContact C-N 3.33Å; G529-G531 PolarHBondContact O-N 2.75Å; G529-A532 PolarHBondContact O-N 3.46Å; G529-F533 PolarHBondContact O-N 3.37Å
530D96.9Very high97.2Very high4 Ų428 Ų282%0.02117%0.168CC..Hα-helixtrans-49.7-47.9178.459.4-33.4000113.8A532 F533 G534 I554 G555 N556 N558 G559 L579 Y585D530-A532 VanDerWaalsContact C-N 3.33Å; D530-A532 PolarHBondContact O-N 3.17Å; D530-F533 WeakPolarHBondContact O-CB 3.46Å; D530-F533 PolarHBondContact O-N 3.31Å; D530-G534 PolarHBondContact O-N 3.23Å; D530-G534 VanDerWaalsContact O-N 3.11Å; D530-I554 HydrophobicContact CB-CG2 4.18Å; D530-G555 PolarHBondContact N-O 3.27Å; D530-G555 VanDerWaalsContact N-O 3.1Å; D530-N556 HydrophobicContact CB-CB 4.07Å; D530-N556 PolarHBondContact OD2-OD1 3.46Å; D530-N558 WeakPolarHBondContact OD2-CA 3.32Å; D530-N558 PolarHBondContact OD2-N 3.39Å; D530-G559 PolarHBondContact OD2-N 3.2Å; D530-G559 VanDerWaalsContact OD2-N 3.12Å; D530-L579 WeakPolarHBondContact OD2-CD1 3.49Å; D530-Y585 HydrophobicContact CB-CE2 3.71Å
531G96.5Very high97.3Very high5 Ų526 Ų265%0.05215%0.153CC..Hα-helixtrans-61.6-40.9177.600000113G529 G534 W560G529-G531 VanDerWaalsContact C-N 3.33Å; G529-G531 PolarHBondContact O-N 2.75Å; G531-G534 PolarHBondContact O-N 3.37Å; G531-W560 VanDerWaalsContact C-CZ3 3.4Å; G531-W560 VanDerWaalsContact CA-CZ3 3.42Å; G531-W560 WeakPolarHBondContact O-CH2 3.49Å
532A97.4Very high97.5Very high2 Ų218.9 Ų18.92%0.01712%0.115CC..Hα-helixtrans-69.5-38.4177.900000112D476 L505 G529 D530 G534 F535D476-A532 WeakPolarHBondContact O-CB 3.44Å; L505-A532 HydrophobicContact CB-CB 4.23Å; L505-A532 HydrophobicContact CD2-CB 4.18Å; G529-A532 PolarHBondContact O-N 3.46Å; D530-A532 VanDerWaalsContact C-N 3.33Å; D530-A532 PolarHBondContact O-N 3.17Å; A532-G534 PolarHBondContact O-N 3.28Å; A532-F535 PolarHBondContact O-N 2.87Å; A532-F535 VanDerWaalsContact O-N 3.1Å
533F97.9Very high97.6Very high1 Ų117.6 Ų17.60%0.00411%0.109CC..Hα-helixtrans-58.6-34173.5179.3-116.9000112.2F528 G529 D530 F535 S536 V537 I540 I554 Y585 F622F528-F533 HydrophobicContact CB-CB 3.94Å; F528-F533 HydrophobicContact CD1-CB 4.12Å; F528-F533 HydrophobicContact CD1-CD2 4.39Å; F528-F533 AromaticContact CD2-CD2 3.82Å; F528-F533 HydrophobicContact CD2-CD2 3.82Å; F528-F533 HydrophobicContact CE1-CD2 4.43Å; F528-F533 AromaticContact CE2-CD2 3.86Å; F528-F533 HydrophobicContact CE2-CD2 3.86Å; F528-F533 HydrophobicContact CE2-CE2 4.37Å; F528-F533 HydrophobicContact CG-CB 3.98Å; F528-F533 HydrophobicContact CG-CD2 4.09Å; F528-F533 HydrophobicContact CG-CG 4.46Å; F528-F533 HydrophobicContact CZ-CD2 4.17Å; G529-F533 PolarHBondContact O-N 3.37Å; D530-F533 WeakPolarHBondContact O-CB 3.46Å; D530-F533 PolarHBondContact O-N 3.31Å; F533-F535 PolarHBondContact O-N 3.32Å; F533-F535 VanDerWaalsContact O-N 3.11Å; F533-S536 CarbonylContact O-C 3.58Å; F533-S536 WeakPolarHBondContact O-CA 3.32Å; F533-S536 PolarHBondContact O-N 2.69Å; F533-V537 HydrophobicContact CE1-CB 4.43Å; F533-V537 HydrophobicContact CE1-CG2 4.07Å; F533-V537 HydrophobicContact CZ-CG2 4.23Å; F533-V537 PolarHBondContact O-N 2.83Å; F533-I540 HydrophobicContact CE2-CD1 4.44Å; F533-I540 HydrophobicContact CZ-CD1 3.8Å; F533-I540 HydrophobicContact CZ-CG1 4.44Å; F533-I554 HydrophobicContact CB-CG1 4.46Å; F533-I554 HydrophobicContact CB-CG2 4.23Å; F533-I554 HydrophobicContact CD1-CD1 3.56Å; F533-I554 HydrophobicContact CD1-CG1 4.16Å; F533-I554 HydrophobicContact CD1-CG2 4.41Å; F533-I554 HydrophobicContact CD2-CD1 4.2Å; F533-I554 HydrophobicContact CD2-CG1 4.29Å; F533-I554 HydrophobicContact CE1-CD1 3.5Å; F533-I554 VanDerWaalsContact CE1-CD1 3.5Å; F533-I554 HydrophobicContact CE1-CG1 4.49Å; F533-I554 HydrophobicContact CE2-CD1 4.16Å; F533-I554 HydrophobicContact CG-CD1 3.91Å; F533-I554 HydrophobicContact CG-CG1 4.03Å; F533-I554 HydrophobicContact CG-CG2 4.46Å; F533-I554 HydrophobicContact CZ-CD1 3.79Å; F533-Y585 AromaticContact CD1-CD1 3.49Å; F533-Y585 HydrophobicContact CD1-CD1 3.49Å; F533-Y585 VanDerWaalsContact CD1-CD1 3.49Å; F533-Y585 AromaticContact CD1-CE1 3.95Å; F533-Y585 HydrophobicContact CD1-CE1 3.95Å; F533-Y585 AromaticContact CD1-CG 3.89Å; F533-Y585 HydrophobicContact CD1-CG 3.89Å; F533-Y585 AromaticContact CE1-CD1 3.56Å; F533-Y585 HydrophobicContact CE1-CD1 3.56Å; F533-Y585 HydrophobicContact CE1-CE1 4.39Å; F533-Y585 AromaticContact CE1-CG 3.93Å; F533-Y585 HydrophobicContact CE1-CG 3.93Å; F533-F622 AromaticContact CE2-CD1 3.69Å; F533-F622 HydrophobicContact CE2-CD1 3.69Å; F533-F622 AromaticContact CE2-CE1 3.59Å; F533-F622 HydrophobicContact CE2-CE1 3.59Å; F533-F622 AromaticContact CZ-CD1 3.79Å; F533-F622 HydrophobicContact CZ-CD1 3.79Å; F533-F622 HydrophobicContact CZ-CE1 4.04Å
534G96.7Very high97.6Very high38 Ų3818.5 Ų18.539%0.39211%0.113SC..Hα-helixtrans-52.1-32.1174.300000114.3D530 G531 A532 V537D530-G534 PolarHBondContact O-N 3.23Å; D530-G534 VanDerWaalsContact O-N 3.11Å; G531-G534 PolarHBondContact O-N 3.37Å; A532-G534 PolarHBondContact O-N 3.28Å; G534-V537 WeakPolarHBondContact O-CG1 3.15Å
535F97.5Very high97.6Very high135 Ų13522.9 Ų22.959%0.59213%0.129SC*.Hα-helixtrans-76.5-25.6174.5-69.6-83.7000113.6L505 A532 F533 W560L505-F535 HydrophobicContact CB-CD2 4.44Å; L505-F535 HydrophobicContact CB-CE2 4.44Å; A532-F535 PolarHBondContact O-N 2.87Å; A532-F535 VanDerWaalsContact O-N 3.1Å; F533-F535 PolarHBondContact O-N 3.32Å; F533-F535 VanDerWaalsContact O-N 3.11Å; F535-W560 AromaticContact CE2-CH2 3.9Å; F535-W560 HydrophobicContact CE2-CH2 3.9Å
536S97.9Very high97.5Very high2 Ų223.4 Ų23.41%0.01413%0.132CC..Hα-helixtrans-97-7.4-178-76.30000113.7A509 F533 A538 E539A509-S536 PolarHBondContact N-OG 2.82Å; F533-S536 CarbonylContact O-C 3.58Å; F533-S536 WeakPolarHBondContact O-CA 3.32Å; F533-S536 PolarHBondContact O-N 2.69Å; S536-A538 VanDerWaalsContact C-N 3.33Å; S536-A538 PolarHBondContact O-N 3.22Å; S536-E539 WeakPolarHBondContact O-CB 3.41Å; S536-E539 PolarHBondContact O-N 3.49Å
537V97.4Very high97.4Very high39 Ų3931.2 Ų31.224%0.23617%0.169CC..G310 helixtrans-58.7-38.2-168.371.40000114.1F533 G534 E539 I540 V588F533-V537 HydrophobicContact CE1-CB 4.43Å; F533-V537 HydrophobicContact CE1-CG2 4.07Å; F533-V537 HydrophobicContact CZ-CG2 4.23Å; F533-V537 PolarHBondContact O-N 2.83Å; G534-V537 WeakPolarHBondContact O-CG1 3.15Å; V537-E539 PolarHBondContact O-N 3.42Å; V537-I540 HydrophobicContact CG2-CD1 4.37Å; V537-I540 WeakPolarHBondContact O-CD1 3.47Å; V537-I540 WeakPolarHBondContact O-CG1 3.49Å; V537-I540 PolarHBondContact O-N 3.29Å; V537-V588 HydrophobicContact CG2-CB 4.47Å; V537-V588 HydrophobicContact CG2-CG1 3.47Å; V537-V588 VanDerWaalsContact CG2-CG1 3.47Å
538A97.7Very high97.2Very high38 Ų3831.4 Ų31.431%0.31417%0.17SC..G310 helixtrans-70.8-21.7179.200000112.4R100 S536 I540 D541R100-A538 HydrophobicContact CB-CB 4.21Å; R100-A538 WeakPolarHBondContact CG-O 3.4Å; S536-A538 VanDerWaalsContact C-N 3.33Å; S536-A538 PolarHBondContact O-N 3.22Å; A538-I540 PolarHBondContact O-N 3.44Å; A538-D541 VanDerWaalsContact O-CB 3.29Å; A538-D541 WeakPolarHBondContact O-CB 3.42Å; A538-D541 PolarHBondContact O-N 2.96Å
539E98.3Very high97Very high5 Ų532.9 Ų32.92%0.02318%0.18CC..G310 helixtrans-80.4-1.4-177.6-57.9-65.6171.100113.2R100 S101 T104 A509 S536 V537 D541 S542 L543R100-E539 WeakPolarHBondContact CA-OE1 3.3Å; R100-E539 WeakPolarHBondContact CB-OE1 3.12Å; R100-E539 PolarHBondContact N-OE1 3.29Å; R100-E539 VanDerWaalsContact N-OE1 3.1Å; R100-E539 PolarHBondContact N-OE2 2.95Å; S101-E539 PolarHBondContact N-OE1 3.37Å; T104-E539 WeakPolarHBondContact CB-OE1 3.38Å; T104-E539 HydrophobicContact CG2-CB 4.44Å; T104-E539 VanDerWaalsContact CG2-CD 3.47Å; T104-E539 HydrophobicContact CG2-CG 3.68Å; T104-E539 WeakPolarHBondContact OG1-CG 3.42Å; T104-E539 PolarHBondContact OG1-OE1 2.95Å; A509-E539 HydrophobicContact CB-CB 3.45Å; A509-E539 VanDerWaalsContact CB-CB 3.45Å; A509-E539 HydrophobicContact CB-CG 3.93Å; S536-E539 WeakPolarHBondContact O-CB 3.41Å; S536-E539 PolarHBondContact O-N 3.49Å; V537-E539 PolarHBondContact O-N 3.42Å; E539-D541 PolarHBondContact O-N 3.06Å; E539-S542 WeakPolarHBondContact O-CB 3.47Å; E539-S542 PolarHBondContact O-N 2.96Å; E539-S542 VanDerWaalsContact OE2-CB 3.27Å; E539-S542 WeakPolarHBondContact OE2-CB 3.35Å; E539-S542 PolarHBondContact OE2-OG 3.19Å; E539-L543 WeakPolarHBondContact O-CG 3.19Å; E539-L543 PolarHBondContact O-N 2.98Å
540I98.1Very high96.9Very high1 Ų132.7 Ų32.71%0.00518%0.177CC..Hα-helixtrans-56.2-39164-56171.2000109.4F533 V537 A538 S542 L543 V544 A589 F592 A594 F622F533-I540 HydrophobicContact CE2-CD1 4.44Å; F533-I540 HydrophobicContact CZ-CD1 3.8Å; F533-I540 HydrophobicContact CZ-CG1 4.44Å; V537-I540 HydrophobicContact CG2-CD1 4.37Å; V537-I540 WeakPolarHBondContact O-CD1 3.47Å; V537-I540 WeakPolarHBondContact O-CG1 3.49Å; V537-I540 PolarHBondContact O-N 3.29Å; A538-I540 PolarHBondContact O-N 3.44Å; I540-S542 PolarHBondContact O-N 3.35Å; I540-L543 PolarHBondContact O-N 2.77Å; I540-V544 HydrophobicContact CG2-CG2 4.36Å; I540-V544 WeakPolarHBondContact O-CB 3.36Å; I540-V544 VanDerWaalsContact O-CG2 3.32Å; I540-V544 WeakPolarHBondContact O-CG2 3.23Å; I540-V544 PolarHBondContact O-N 3.46Å; I540-A589 HydrophobicContact CD1-CB 3.91Å; I540-F592 HydrophobicContact CB-CB 3.79Å; I540-F592 HydrophobicContact CB-CD2 4.05Å; I540-F592 HydrophobicContact CB-CG 4.02Å; I540-F592 HydrophobicContact CD1-CD2 4.09Å; I540-F592 HydrophobicContact CG2-CB 3.49Å; I540-F592 VanDerWaalsContact CG2-CB 3.49Å; I540-F592 HydrophobicContact CG2-CG 4.27Å; I540-A594 HydrophobicContact CG2-CB 3.6Å; I540-F622 HydrophobicContact CB-CE2 4.45Å; I540-F622 HydrophobicContact CB-CZ 4.43Å; I540-F622 HydrophobicContact CD1-CE1 4.41Å; I540-F622 HydrophobicContact CD1-CE2 4.41Å; I540-F622 HydrophobicContact CD1-CZ 4.32Å; I540-F622 HydrophobicContact CG1-CE1 4.05Å; I540-F622 HydrophobicContact CG1-CE2 3.98Å; I540-F622 HydrophobicContact CG1-CZ 3.67Å; I540-F622 HydrophobicContact CG2-CD2 4.49Å; I540-F622 HydrophobicContact CG2-CE2 3.82Å; I540-F622 HydrophobicContact CG2-CZ 4.28Å
541D98Very high96.9Very high36 Ų3633.8 Ų33.819%0.19318%0.182CC..Hα-helixtrans-51.8-52.9169.9173.2100.7000111.7R100 A538 E539 L543 V544 R545 F592R100-D541 WeakPolarHBondContact CD-OD2 3.48Å; R100-D541 HydrophobicContact CG-CB 4.07Å; R100-D541 VanDerWaalsContact NH1-CG 3.26Å; R100-D541 IonicContact NH1-OD1 3.44Å; R100-D541 PolarHBondContact NH1-OD1 3.36Å; R100-D541 IonicContact NH1-OD2 3.61Å; A538-D541 VanDerWaalsContact O-CB 3.29Å; A538-D541 WeakPolarHBondContact O-CB 3.42Å; A538-D541 PolarHBondContact O-N 2.96Å; E539-D541 PolarHBondContact O-N 3.06Å; D541-L543 VanDerWaalsContact C-N 3.33Å; D541-L543 PolarHBondContact O-N 3.41Å; D541-V544 PolarHBondContact O-N 3.26Å; D541-R545 WeakPolarHBondContact O-CB 3.45Å; D541-R545 PolarHBondContact O-N 2.8Å; D541-R545 IonicContact OD2-CZ 3.31Å; D541-R545 IonicContact OD2-NE 3.13Å; D541-R545 PolarHBondContact OD2-NE 3.33Å; D541-R545 IonicContact OD2-NH2 3.08Å; D541-R545 PolarHBondContact OD2-NH2 3.13Å; D541-F592 HydrophobicContact CB-CD1 3.9Å; D541-F592 HydrophobicContact CB-CE1 4.16Å
542S97.9Very high97Very high1 Ų133.6 Ų33.61%0.00718%0.18CC..Hα-helixtrans-61.7-42.6-178.5-58.70000111.4T99 R100 E539 I540 V544 R545 H546T99-S542 WeakPolarHBondContact CA-OG 3.45Å; R100-S542 PolarHBondContact N-OG 3.31Å; E539-S542 WeakPolarHBondContact O-CB 3.47Å; E539-S542 PolarHBondContact O-N 2.96Å; E539-S542 VanDerWaalsContact OE2-CB 3.27Å; E539-S542 WeakPolarHBondContact OE2-CB 3.35Å; E539-S542 PolarHBondContact OE2-OG 3.19Å; I540-S542 PolarHBondContact O-N 3.35Å; S542-V544 PolarHBondContact O-N 2.94Å; S542-R545 PolarHBondContact OG-NH2 3.42Å; S542-H546 VanDerWaalsContact O-CB 3.32Å; S542-H546 WeakPolarHBondContact O-CB 3.47Å; S542-H546 PolarHBondContact O-CD2 3.32Å; S542-H546 VanDerWaalsContact O-CD2 3.29Å; S542-H546 PolarHBondContact O-N 2.96Å
543L97.3Very high97Very high6 Ų633.5 Ų33.53%0.03118%0.179CC..Hα-helixtrans-63.6-41178.3-67169.5000112.1L513 E539 I540 D541 Q547 T548 V550 A620 F622L513-L543 HydrophobicContact CB-CD2 4.42Å; E539-L543 WeakPolarHBondContact O-CG 3.19Å; E539-L543 PolarHBondContact O-N 2.98Å; I540-L543 PolarHBondContact O-N 2.77Å; D541-L543 VanDerWaalsContact C-N 3.33Å; D541-L543 PolarHBondContact O-N 3.41Å; L543-Q547 PolarHBondContact O-N 3.42Å; L543-T548 VanDerWaalsContact CA-OG1 3.31Å; L543-T548 WeakPolarHBondContact CA-OG1 3.28Å; L543-T548 VanDerWaalsContact CD2-OG1 3.29Å; L543-T548 WeakPolarHBondContact CD2-OG1 3.5Å; L543-T548 PolarHBondContact O-N 2.53Å; L543-T548 PolarHBondContact O-OG1 3Å; L543-V550 HydrophobicContact CD1-CG2 3.85Å; L543-V550 HydrophobicContact CD2-CG1 4.29Å; L543-V550 HydrophobicContact CD2-CG2 4.49Å; L543-A620 HydrophobicContact CB-CB 4.42Å; L543-F622 HydrophobicContact CD1-CZ 3.89Å
544V96.7Very high97Very high57 Ų5733.4 Ų33.435%0.34518%0.179SC..Hα-helixtrans-69.6-50.2177.6170.20000110.7I540 D541 S542 H546 Q547 A594I540-V544 HydrophobicContact CG2-CG2 4.36Å; I540-V544 WeakPolarHBondContact O-CB 3.36Å; I540-V544 VanDerWaalsContact O-CG2 3.32Å; I540-V544 WeakPolarHBondContact O-CG2 3.23Å; I540-V544 PolarHBondContact O-N 3.46Å; D541-V544 PolarHBondContact O-N 3.26Å; S542-V544 PolarHBondContact O-N 2.94Å; V544-H546 VanDerWaalsContact C-N 3.35Å; V544-H546 PolarHBondContact O-N 2.94Å; V544-Q547 PolarHBondContact O-N 3.48Å; V544-Q547 VanDerWaalsContact O-N 3.08Å; V544-A594 HydrophobicContact CG2-CB 4.31Å
545R96.7Very high97.1Very high94 Ų9431.6 Ų31.636%0.35516%0.16SC..Hα-helixtrans-65.1-35.9-175.7-174.8165.547.373.21112.8D98 D541 S542 Q547D98-R545 PolarHBondContact O-NH1 3.38Å; D98-R545 PolarHBondContact O-NH2 3.15Å; D98-R545 IonicContact OD1-CZ 2.77Å; D98-R545 IonicContact OD1-NH1 2.87Å; D98-R545 PolarHBondContact OD1-NH1 3.13Å; D98-R545 IonicContact OD2-CZ 2.71Å; D98-R545 VanDerWaalsContact OD2-CZ 3.24Å; D98-R545 IonicContact OD2-NH1 3.45Å; D98-R545 PolarHBondContact OD2-NH1 2.79Å; D98-R545 IonicContact OD2-NH2 3.14Å; D98-R545 PolarHBondContact OD2-NH2 3.47Å; D541-R545 WeakPolarHBondContact O-CB 3.45Å; D541-R545 PolarHBondContact O-N 2.8Å; D541-R545 IonicContact OD2-CZ 3.31Å; D541-R545 IonicContact OD2-NE 3.13Å; D541-R545 PolarHBondContact OD2-NE 3.33Å; D541-R545 IonicContact OD2-NH2 3.08Å; D541-R545 PolarHBondContact OD2-NH2 3.13Å; S542-R545 PolarHBondContact OG-NH2 3.42Å; R545-Q547 VanDerWaalsContact C-N 3.31Å
546H96.5Very high97Very high17 Ų1725.4 Ų25.48%0.07913%0.133CC..THydrogen-bonded Turntrans-87.93.4175.2-72.3-66.2000114.3R95 D98 L513 S542 V544 T548R95-H546 PolarHBondContact NH2-ND1 2.87Å; R95-H546 PolarHBondContact NH2-O 3Å; R95-H546 VanDerWaalsContact NH2-O 3.12Å; D98-H546 PolarHBondContact N-NE2 2.91Å; D98-H546 PolarHBondContact O-NE2 2.71Å; D98-H546 IonicContact OD1-CE1 2.86Å; D98-H546 PolarHBondContact OD1-CE1 3.43Å; D98-H546 VanDerWaalsContact OD1-CE1 3.31Å; D98-H546 IonicContact OD1-NE2 3.38Å; D98-H546 PolarHBondContact OD1-NE2 2.9Å; L513-H546 HydrophobicContact CD1-CB 4.31Å; S542-H546 VanDerWaalsContact O-CB 3.32Å; S542-H546 WeakPolarHBondContact O-CB 3.47Å; S542-H546 PolarHBondContact O-CD2 3.32Å; S542-H546 VanDerWaalsContact O-CD2 3.29Å; S542-H546 PolarHBondContact O-N 2.96Å; V544-H546 VanDerWaalsContact C-N 3.35Å; V544-H546 PolarHBondContact O-N 2.94Å; H546-T548 VanDerWaalsContact C-N 3.31Å; H546-T548 HydrophobicContact CB-CG2 4.24Å; H546-T548 PolarHBondContact O-N 2.83Å
547Q95.3Very high96.9Very high165 Ų16526.8 Ų26.877%0.77114%0.141SC*.THydrogen-bonded Turntrans53.346.7-179.6-59.9179.2-29.800112.3L543 V544 R545 P549L543-Q547 PolarHBondContact O-N 3.42Å; V544-Q547 PolarHBondContact O-N 3.48Å; V544-Q547 VanDerWaalsContact O-N 3.08Å; R545-Q547 VanDerWaalsContact C-N 3.31Å; Q547-P549 VanDerWaalsContact C-CD 3.48Å; Q547-P549 WeakPolarHBondContact O-CD 3.46Å
548T95.3Very high96.7Very high4 Ų426.6 Ų26.63%0.02514%0.138CC..  trans-105.585.6177.654.20000109.7L513 K516 L517 L543 H546 V550L513-T548 HydrophobicContact CD1-CG2 3.84Å; K516-T548 HydrophobicContact CB-CG2 4.11Å; K516-T548 HydrophobicContact CG-CG2 4Å; L517-T548 HydrophobicContact CD2-CG2 4.33Å; L517-T548 HydrophobicContact CG-CG2 4.45Å; L543-T548 VanDerWaalsContact CA-OG1 3.31Å; L543-T548 WeakPolarHBondContact CA-OG1 3.28Å; L543-T548 VanDerWaalsContact CD2-OG1 3.29Å; L543-T548 WeakPolarHBondContact CD2-OG1 3.5Å; L543-T548 PolarHBondContact O-N 2.53Å; L543-T548 PolarHBondContact O-OG1 3Å; H546-T548 VanDerWaalsContact C-N 3.31Å; H546-T548 HydrophobicContact CB-CG2 4.24Å; H546-T548 PolarHBondContact O-N 2.83Å; T548-V550 PolarHBondContact O-N 3.24Å
549P93.7Very high96.5Very high33 Ų3325 Ų2521%0.21413%0.126CC..  trans-68.1131.9-179.727.8-34.3000110.5K516 Q547K516-P549 WeakPolarHBondContact CE-O 3.49Å; Q547-P549 VanDerWaalsContact C-CD 3.48Å; Q547-P549 WeakPolarHBondContact O-CD 3.46Å
550V96.2Very high96.4Very high3 Ų328.6 Ų28.62%0.01814%0.139CC..  trans-139.4159.4179.1-56.40000109A512 V524 I526 L543 T548 A620 V621A512-V550 HydrophobicContact CB-CG1 4.21Å; V524-V550 HydrophobicContact CB-CG1 4.05Å; V524-V550 HydrophobicContact CG1-CG1 4.06Å; V524-V550 WeakPolarHBondContact O-CA 3.36Å; I526-V550 HydrophobicContact CD1-CB 4.34Å; I526-V550 HydrophobicContact CD1-CG2 3.96Å; L543-V550 HydrophobicContact CD1-CG2 3.85Å; L543-V550 HydrophobicContact CD2-CG1 4.29Å; L543-V550 HydrophobicContact CD2-CG2 4.49Å; T548-V550 PolarHBondContact O-N 3.24Å; V550-A620 HydrophobicContact CG2-CB 4.11Å; V550-A620 CarbonylContact O-C 3.51Å; V550-A620 WeakPolarHBondContact O-CA 3.2Å; V550-V621 PolarHBondContact O-N 3.15Å
551I96.8Very high96.1Very high28 Ų2829.2 Ų29.214%0.14414%0.144CC..EExtended strand (participates in β ladder)trans-114.8115.6170.9-57.7175.7000108.5V524 W525 I526 I553 V611 V621V524-I551 PolarHBondContact O-N 3.1Å; W525-I551 CarbonylContact C-O 3.52Å; W525-I551 VanDerWaalsContact CA-O 3.23Å; W525-I551 WeakPolarHBondContact CA-O 3.2Å; W525-I551 HydrophobicContact CD2-CB 3.87Å; W525-I551 HydrophobicContact CD2-CG2 4.05Å; W525-I551 HydrophobicContact CE3-CB 4.05Å; W525-I551 HydrophobicContact CE3-CG2 3.72Å; W525-I551 HydrophobicContact CG-CB 4.39Å; W525-I551 HydrophobicContact CH2-CB 4.45Å; W525-I551 HydrophobicContact CH2-CD1 4.24Å; W525-I551 HydrophobicContact CH2-CG2 3.79Å; W525-I551 HydrophobicContact CZ2-CB 4.26Å; W525-I551 HydrophobicContact CZ2-CD1 3.58Å; W525-I551 HydrophobicContact CZ2-CG2 4.08Å; W525-I551 HydrophobicContact CZ3-CB 4.34Å; W525-I551 HydrophobicContact CZ3-CG2 3.59Å; I526-I551 PolarHBondContact N-O 3.2Å; I551-I553 HydrophobicContact CG2-CD1 4.45Å; I551-V611 HydrophobicContact CD1-CG1 3.95Å; I551-V621 HydrophobicContact CG1-CB 4.28Å; I551-V621 HydrophobicContact CG1-CG2 4.29Å; I551-V621 HydrophobicContact CG2-CB 4.45Å
552A97.8Very high95.7Very high0 Ų030.3 Ų30.30%015%0.148CC..EExtended strand (participates in β ladder)trans-106.7127.1179.800000110.8I526 F528 V621 F622 V623I526-A552 HydrophobicContact CB-CB 4.23Å; I526-A552 HydrophobicContact CD1-CB 4.47Å; I526-A552 CarbonylContact O-C 2.95Å; I526-A552 VanDerWaalsContact O-CA 3.31Å; I526-A552 WeakPolarHBondContact O-CA 3.35Å; F528-A552 HydrophobicContact CD2-CB 4.12Å; F528-A552 HydrophobicContact CE2-CB 4.11Å; A552-V621 PolarHBondContact N-O 3.38Å; A552-F622 HydrophobicContact CB-CD1 3.46Å; A552-F622 VanDerWaalsContact CB-CD1 3.46Å; A552-F622 HydrophobicContact CB-CE1 3.58Å; A552-F622 HydrophobicContact CB-CG 4.19Å; A552-F622 HydrophobicContact CB-CZ 4.41Å; A552-V623 PolarHBondContact O-N 3.11Å
553I98Very high95.4Very high0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-104.6116.6170-53.5-56.4000107.9L459 V463 W525 I526 I527 F528 I551 V623L459-I553 HydrophobicContact CD2-CG2 4.49Å; V463-I553 HydrophobicContact CG1-CG1 4.31Å; V463-I553 HydrophobicContact CG2-CD1 4.45Å; V463-I553 HydrophobicContact CG2-CG1 4.13Å; V463-I553 HydrophobicContact CG2-CG2 4.42Å; W525-I553 HydrophobicContact CE3-CG1 4.15Å; W525-I553 HydrophobicContact CZ3-CD1 3.98Å; W525-I553 HydrophobicContact CZ3-CG1 3.97Å; I526-I553 PolarHBondContact O-N 2.96Å; I527-I553 HydrophobicContact CD1-CB 3.99Å; I527-I553 HydrophobicContact CD1-CG1 4.08Å; F528-I553 PolarHBondContact N-O 3.38Å; I551-I553 HydrophobicContact CG2-CD1 4.45Å; I553-V623 HydrophobicContact CD1-CB 3.7Å; I553-V623 HydrophobicContact CD1-CG1 4.3Å; I553-V623 HydrophobicContact CD1-CG2 3.74Å
554I98.2Very high95.2Very high0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-100.7105.6178.1-53.8159.8000107.4F528 D530 F533 N556 Y585 F622 V623 A625F528-I554 HydrophobicContact CB-CG1 4.27Å; F528-I554 HydrophobicContact CD2-CG1 4.45Å; D530-I554 HydrophobicContact CB-CG2 4.18Å; F533-I554 HydrophobicContact CB-CG1 4.46Å; F533-I554 HydrophobicContact CB-CG2 4.23Å; F533-I554 HydrophobicContact CD1-CD1 3.56Å; F533-I554 HydrophobicContact CD1-CG1 4.16Å; F533-I554 HydrophobicContact CD1-CG2 4.41Å; F533-I554 HydrophobicContact CD2-CD1 4.2Å; F533-I554 HydrophobicContact CD2-CG1 4.29Å; F533-I554 HydrophobicContact CE1-CD1 3.5Å; F533-I554 VanDerWaalsContact CE1-CD1 3.5Å; F533-I554 HydrophobicContact CE1-CG1 4.49Å; F533-I554 HydrophobicContact CE2-CD1 4.16Å; F533-I554 HydrophobicContact CG-CD1 3.91Å; F533-I554 HydrophobicContact CG-CG1 4.03Å; F533-I554 HydrophobicContact CG-CG2 4.46Å; F533-I554 HydrophobicContact CZ-CD1 3.79Å; I554-N556 PolarHBondContact O-N 3.11Å; I554-Y585 HydrophobicContact CD1-CG 4.45Å; I554-Y585 HydrophobicContact CG2-CD2 4.32Å; I554-F622 HydrophobicContact CD1-CB 4.48Å; I554-F622 HydrophobicContact CD1-CD1 4.34Å; I554-V623 PolarHBondContact N-O 3.47Å; I554-A625 PolarHBondContact O-N 3.11Å
555G97.3Very high94.7Very high0 Ų034.1 Ų34.10%016%0.162CC..EExtended strand (participates in β ladder)trans-75.2103.8169.700000109.5F528 D530F528-G555 PolarHBondContact O-N 3.29Å; D530-G555 PolarHBondContact N-O 3.27Å; D530-G555 VanDerWaalsContact N-O 3.1Å
556N96.5Very high94.3Very high5 Ų530.9 Ų30.93%0.02715%0.153CC..EExtended strand (participates in β ladder)trans-104.4102-173.7-176.2-1.8000110.8D530 I554 N558 N624 A625 L626 I627D530-N556 HydrophobicContact CB-CB 4.07Å; D530-N556 PolarHBondContact OD2-OD1 3.46Å; I554-N556 PolarHBondContact O-N 3.11Å; N556-N558 PolarHBondContact OD1-N 3.38Å; N556-N558 PolarHBondContact OD1-OD1 3.39Å; N556-N558 VanDerWaalsContact OD1-OD1 3.04Å; N556-N624 WeakPolarHBondContact CB-OD1 3.42Å; N556-N624 PolarHBondContact ND2-OD1 3.14Å; N556-A625 PolarHBondContact N-O 3.42Å; N556-L626 WeakPolarHBondContact O-CA 3.29Å; N556-I627 WeakPolarHBondContact O-CG1 3.47Å; N556-I627 PolarHBondContact O-N 2.84Å
557D94.4Very high94.1Very high31 Ų3131.9 Ų31.917%0.16616%0.157CC..  trans-101.88.8171.65845.9000112.8G559 A561 I627D557-G559 VanDerWaalsContact C-N 3.32Å; D557-G559 PolarHBondContact OD1-N 3.25Å; D557-G559 VanDerWaalsContact OD1-N 3.1Å; D557-A561 WeakPolarHBondContact OD2-CB 3.37Å; D557-I627 HydrophobicContact CB-CD1 4.12Å; D557-I627 HydrophobicContact CB-CG1 3.85Å
558N94.7Very high94Very high34 Ų3427.4 Ų27.418%0.18214%0.138CC..SBendtrans56.243.6-175.1-52.1-67.1000112.1D530 N556 L579 P581 L626D530-N558 WeakPolarHBondContact OD2-CA 3.32Å; D530-N558 PolarHBondContact OD2-N 3.39Å; N556-N558 PolarHBondContact OD1-N 3.38Å; N556-N558 PolarHBondContact OD1-OD1 3.39Å; N556-N558 VanDerWaalsContact OD1-OD1 3.04Å; N558-L579 PolarHBondContact O-N 3.26Å; N558-P581 WeakPolarHBondContact OD1-CA 3.37Å; N558-L626 WeakPolarHBondContact ND2-CD1 3.39Å
559G93.9Very high93.7Very high6 Ų632.1 Ų32.16%0.06217%0.171CC..BIsolated β-bridgetrans-179.1174.8-178.600000117.5D530 D557 A561 C577D530-G559 PolarHBondContact OD2-N 3.2Å; D530-G559 VanDerWaalsContact OD2-N 3.12Å; D557-G559 VanDerWaalsContact C-N 3.32Å; D557-G559 PolarHBondContact OD1-N 3.25Å; D557-G559 VanDerWaalsContact OD1-N 3.1Å; G559-A561 PolarHBondContact O-N 3.45Å; G559-A561 VanDerWaalsContact O-N 3.16Å; G559-C577 CarbonylContact C-O 3.59Å; G559-C577 WeakPolarHBondContact CA-O 3.34Å
560W94.6Very high93.6Very high79 Ų7935.8 Ų35.830%0.29919%0.188SC..  trans-87.262.7169.2-60.3109.9000109.3L505 G531 F535 Q562 I563 H564 C577L505-W560 HydrophobicContact CD1-CE3 4.33Å; L505-W560 HydrophobicContact CD1-CH2 4.4Å; L505-W560 HydrophobicContact CD1-CZ3 3.65Å; G531-W560 VanDerWaalsContact C-CZ3 3.4Å; G531-W560 VanDerWaalsContact CA-CZ3 3.42Å; G531-W560 WeakPolarHBondContact O-CH2 3.49Å; F535-W560 AromaticContact CE2-CH2 3.9Å; F535-W560 HydrophobicContact CE2-CH2 3.9Å; W560-Q562 PolarHBondContact O-N 2.87Å; W560-I563 PolarHBondContact O-N 3.18Å; W560-H564 WeakPolarHBondContact O-CB 3.43Å; W560-H564 PolarHBondContact O-N 3.38Å; W560-C577 HydrophobicContact CB-CB 4.48Å; W560-C577 PolarHBondContact N-O 3.04Å
561A91.9Very high93.6Very high14 Ų1443.2 Ų43.212%0.11622%0.22CC..Hα-helixtrans-52.1-35.7-165.700000115.3D479 D557 G559 I563 H564 R565D479-A561 HydrophobicContact CB-CB 3.97Å; D557-A561 WeakPolarHBondContact OD2-CB 3.37Å; G559-A561 PolarHBondContact O-N 3.45Å; G559-A561 VanDerWaalsContact O-N 3.16Å; A561-I563 VanDerWaalsContact C-N 3.33Å; A561-I563 PolarHBondContact O-N 2.86Å; A561-H564 PolarHBondContact O-N 3.48Å; A561-R565 WeakPolarHBondContact O-CG 3.49Å; A561-R565 PolarHBondContact O-N 2.91Å
562Q90.2Very high93.5Very high59 Ų5945 Ų4528%0.27625%0.246SC..Hα-helixtrans-61.9-40.5179.5-175.8165.7-2500112.3D479 W560 S638D479-Q562 HydrophobicContact CB-CB 4.04Å; W560-Q562 PolarHBondContact O-N 2.87Å; Q562-S638 WeakPolarHBondContact CG-OG 3.43Å; Q562-S638 PolarHBondContact NE2-OG 3.03Å
563I92.1Very high93.4Very high80 Ų8047.3 Ų47.341%0.4126%0.262SS..Hα-helixtrans-79.3-44.7174.3-56.2-54.4000109.9W560 A561 R565 T566 Q567W560-I563 PolarHBondContact O-N 3.18Å; A561-I563 VanDerWaalsContact C-N 3.33Å; A561-I563 PolarHBondContact O-N 2.86Å; I563-R565 VanDerWaalsContact C-N 3.33Å; I563-R565 PolarHBondContact O-N 3.32Å; I563-T566 PolarHBondContact O-N 3.18Å; I563-T566 VanDerWaalsContact O-N 3.16Å; I563-Q567 VanDerWaalsContact O-CB 3.31Å; I563-Q567 WeakPolarHBondContact O-CB 3.11Å; I563-Q567 PolarHBondContact O-N 3Å
564H91.9Very high93.2Very high14 Ų1449.3 Ų49.37%0.06528%0.276CS..Hα-helixtrans-50.1-48.4-179.3178.8-82.2000112.9W560 A561 Q567 I568 C577 R629W560-H564 WeakPolarHBondContact O-CB 3.43Å; W560-H564 PolarHBondContact O-N 3.38Å; A561-H564 PolarHBondContact O-N 3.48Å; H564-Q567 PolarHBondContact O-N 3.33Å; H564-I568 WeakPolarHBondContact CE1-CD1 3.4Å; H564-I568 WeakPolarHBondContact NE2-CD1 3.32Å; H564-I568 WeakPolarHBondContact O-CG1 3.19Å; H564-I568 PolarHBondContact O-N 3.26Å; H564-C577 HydrophobicContact CB-CB 3.84Å; H564-R629 PolarHBondContact CE1-NH1 3.37Å; H564-R629 PolarHBondContact CE1-NH2 3.35Å; H564-R629 PolarHBondContact NE2-NH2 3.4Å; H564-R629 VanDerWaalsContact NE2-NH2 3.15Å
565R87.9Confident93.1Very high51 Ų5154.3 Ų54.319%0.19231%0.306CS..Hα-helixtrans-59.9-49-179.8-74.4-177.1-178.6162.14.9112.1D479 A561 I563 S569 T630D479-R565 IonicContact OD1-CZ 3.44Å; D479-R565 IonicContact OD1-NH1 2.79Å; D479-R565 PolarHBondContact OD1-NH1 3.36Å; D479-R565 IonicContact OD2-CZ 3.82Å; D479-R565 IonicContact OD2-NE 2.99Å; D479-R565 IonicContact OD2-NH1 3.8Å; D479-R565 PolarHBondContact OD2-NH1 2.96Å; D479-R565 IonicContact OD2-NH2 3.84Å; D479-R565 PolarHBondContact OD2-NH2 3.02Å; A561-R565 WeakPolarHBondContact O-CG 3.49Å; A561-R565 PolarHBondContact O-N 2.91Å; I563-R565 VanDerWaalsContact C-N 3.33Å; I563-R565 PolarHBondContact O-N 3.32Å; R565-S569 WeakPolarHBondContact O-CB 3.41Å; R565-S569 PolarHBondContact O-N 3.28Å; R565-S569 VanDerWaalsContact O-N 3.09Å; R565-T630 PolarHBondContact NH2-O 3.24Å; R565-T630 VanDerWaalsContact NH2-O 3.14Å
566T88.1Confident93Very high26 Ų2657.7 Ų57.716%0.1634%0.341CS..Hα-helixtrans-67.3-41.5-179.3-55.20000110.8I563 S569 L570I563-T566 PolarHBondContact O-N 3.18Å; I563-T566 VanDerWaalsContact O-N 3.16Å; T566-S569 PolarHBondContact O-N 3.18Å; T566-L570 HydrophobicContact CG2-CD1 3.57Å; T566-L570 HydrophobicContact CG2-CG 4.13Å; T566-L570 WeakPolarHBondContact O-CB 3.33Å; T566-L570 WeakPolarHBondContact O-CG 3.33Å; T566-L570 PolarHBondContact O-N 3.19Å
567Q92.3Very high93Very high37 Ų3757.6 Ų57.617%0.17334%0.341CS..Hα-helixtrans-67.3-41-177.4-160.1-178.1-84.900112.5I563 H564 F571 G572 S573 S574 V575I563-Q567 VanDerWaalsContact O-CB 3.31Å; I563-Q567 WeakPolarHBondContact O-CB 3.11Å; I563-Q567 PolarHBondContact O-N 3Å; H564-Q567 PolarHBondContact O-N 3.33Å; Q567-F571 HydrophobicContact CG-CD2 4Å; Q567-F571 CarbonylContact O-C 3.58Å; Q567-F571 WeakPolarHBondContact O-CA 3.36Å; Q567-F571 WeakPolarHBondContact O-CB 3.46Å; Q567-F571 PolarHBondContact O-N 3.38Å; Q567-G572 PolarHBondContact O-N 2.88Å; Q567-S573 CarbonylContact C-O 3.48Å; Q567-S573 WeakPolarHBondContact CB-O 3.43Å; Q567-S573 WeakPolarHBondContact CG-O 3.38Å; Q567-S573 PolarHBondContact NE2-O 3.16Å; Q567-S574 VanDerWaalsContact NE2-C 3.26Å; Q567-V575 PolarHBondContact NE2-O 3.25Å
568I91.9Very high93Very high72 Ų7260.6 Ų60.637%0.36936%0.356SS..Hα-helixtrans-65.1-47.4172.6-70-173.1000110.5H564 L570 G572 S573H564-I568 WeakPolarHBondContact CE1-CD1 3.4Å; H564-I568 WeakPolarHBondContact NE2-CD1 3.32Å; H564-I568 WeakPolarHBondContact O-CG1 3.19Å; H564-I568 PolarHBondContact O-N 3.26Å; I568-L570 VanDerWaalsContact C-N 3.33Å; I568-L570 PolarHBondContact O-N 3.19Å; I568-G572 VanDerWaalsContact O-CA 3.23Å; I568-G572 WeakPolarHBondContact O-CA 3.41Å; I568-G572 PolarHBondContact O-N 3.25Å; I568-S573 PolarHBondContact N-O 3.34Å
569S89.5Confident93.1Very high102 Ų10260.9 Ų60.971%0.71336%0.357SS*.Hα-helixtrans-64-36.5-176.9-176.50000113.2R565 T566R565-S569 WeakPolarHBondContact O-CB 3.41Å; R565-S569 PolarHBondContact O-N 3.28Å; R565-S569 VanDerWaalsContact O-N 3.09Å; T566-S569 PolarHBondContact O-N 3.18Å
570L92.1Very high93.1Very high110 Ų11063.4 Ų63.458%0.57637%0.374SS*.Hα-helixtrans-92.7-36.6-176.3-65.8-178.2000113.4T566 I568T566-L570 HydrophobicContact CG2-CD1 3.57Å; T566-L570 HydrophobicContact CG2-CG 4.13Å; T566-L570 WeakPolarHBondContact O-CB 3.33Å; T566-L570 WeakPolarHBondContact O-CG 3.33Å; T566-L570 PolarHBondContact O-N 3.19Å; I568-L570 VanDerWaalsContact C-N 3.33Å; I568-L570 PolarHBondContact O-N 3.19Å
571F94.9Very high92.9Very high159 Ų15964.6 Ų64.670%0.69739%0.392SS*.Hα-helixtrans-123.8-2.3-169.2-50.7-64.1000113.7Q567 S573Q567-F571 HydrophobicContact CG-CD2 4Å; Q567-F571 CarbonylContact O-C 3.58Å; Q567-F571 WeakPolarHBondContact O-CA 3.36Å; Q567-F571 WeakPolarHBondContact O-CB 3.46Å; Q567-F571 PolarHBondContact O-N 3.38Å; F571-S573 PolarHBondContact O-N 3.32Å
572G95.3Very high92.8Very high66 Ų6668.1 Ų68.168%0.6842%0.421SS*.SBendtrans67.516.3178.600000114.9Q567 I568Q567-G572 PolarHBondContact O-N 2.88Å; I568-G572 VanDerWaalsContact O-CA 3.23Å; I568-G572 WeakPolarHBondContact O-CA 3.41Å; I568-G572 PolarHBondContact O-N 3.25Å
573S95.6Very high92.9Very high48 Ų4868.5 Ų68.534%0.33642%0.424SS..  trans-135.1145.8-174.1179.40000112.5Q567 I568 F571 V575Q567-S573 CarbonylContact C-O 3.48Å; Q567-S573 WeakPolarHBondContact CB-O 3.43Å; Q567-S573 WeakPolarHBondContact CG-O 3.38Å; Q567-S573 PolarHBondContact NE2-O 3.16Å; I568-S573 PolarHBondContact N-O 3.34Å; F571-S573 PolarHBondContact O-N 3.32Å; S573-V575 PolarHBondContact OG-N 3.13Å
574S93.9Very high93Very high43 Ų4366.4 Ų66.430%0.30142%0.419SS..  trans-108.214.4174610000113.4Q567 G576 C577Q567-S574 VanDerWaalsContact NE2-C 3.26Å; S574-G576 PolarHBondContact O-N 3.29Å; S574-C577 VanDerWaalsContact O-CB 3.3Å; S574-C577 WeakPolarHBondContact O-CB 3.49Å; S574-C577 PolarHBondContact O-N 2.99Å
575V96.4Very high93.3Very high105 Ų10566.6 Ų66.664%0.63642%0.419SS*.THydrogen-bonded Turntrans-47.4133.1-179.465.30000111.9Q567 S573 C577Q567-V575 PolarHBondContact NE2-O 3.25Å; S573-V575 PolarHBondContact OG-N 3.13Å; V575-C577 PolarHBondContact O-N 3.11Å; V575-C577 VanDerWaalsContact O-N 3.12Å
576G95.8Very high93.7Very high70 Ų7065.2 Ų65.272%0.72241%0.414SS*.THydrogen-bonded Turntrans70.3-1.7-179.900000116.1S574S574-G576 PolarHBondContact O-N 3.29Å
577C95.7Very high94.2Very high3 Ų369.3 Ų69.32%0.0243%0.43CS..  trans-101.2-11.1-174.9-63.10000114.7G559 W560 H564 S574 V575G559-C577 CarbonylContact C-O 3.59Å; G559-C577 WeakPolarHBondContact CA-O 3.34Å; W560-C577 HydrophobicContact CB-CB 4.48Å; W560-C577 PolarHBondContact N-O 3.04Å; H564-C577 HydrophobicContact CB-CB 3.84Å; S574-C577 VanDerWaalsContact O-CB 3.3Å; S574-C577 WeakPolarHBondContact O-CB 3.49Å; S574-C577 PolarHBondContact O-N 2.99Å; V575-C577 PolarHBondContact O-N 3.11Å; V575-C577 VanDerWaalsContact O-N 3.12Å
578I95.3Very high94.4Very high94 Ų9470 Ų7048%0.48244%0.437SS..BIsolated β-bridgetrans-94.4129.7-174.9-53.5-58.9000109.9
579L95.6Very high94.7Very high40 Ų4066.6 Ų66.621%0.20942%0.419CS..PPolyproline II helixtrans-103.9158.3170.5-61.5175.7000109.6D530 N558D530-L579 WeakPolarHBondContact OD2-CD1 3.49Å; N558-L579 PolarHBondContact O-N 3.26Å
580S93.7Very high95Very high60 Ų6065.5 Ų65.542%0.4240%0.403SS..PPolyproline II helixtrans-72.8126.5-172.2178.30000111.7A582 I583S580-A582 PolarHBondContact O-N 3.25Å; S580-A582 VanDerWaalsContact O-N 3.16Å; S580-A582 WeakPolarHBondContact OG-CB 3.45Å; S580-A582 PolarHBondContact OG-N 3.15Å; S580-I583 PolarHBondContact O-N 3.14Å
581P90.9Very high95.3Very high104 Ų10463.6 Ų63.668%0.67541%0.41SS*.THydrogen-bonded Turntrans-68.7-9.2173.830.4-35.9000113.6N558 I583N558-P581 WeakPolarHBondContact OD1-CA 3.37Å; P581-I583 VanDerWaalsContact C-N 3.29Å
582A90.5Very high95.4Very high87 Ų8759.3 Ų59.372%0.71939%0.391SS*.THydrogen-bonded Turntrans-79.9-7.8178.300000113.4S580 A584S580-A582 PolarHBondContact O-N 3.25Å; S580-A582 VanDerWaalsContact O-N 3.16Å; S580-A582 WeakPolarHBondContact OG-CB 3.45Å; S580-A582 PolarHBondContact OG-N 3.15Å; A582-A584 PolarHBondContact O-N 3.12Å
583I90.4Very high95.4Very high68 Ų6857.7 Ų57.735%0.34937%0.374SS..  trans-82.1108.8-176.7-58.6174.8000110.2S580 P581 Y585S580-I583 PolarHBondContact O-N 3.14Å; P581-I583 VanDerWaalsContact C-N 3.29Å; I583-Y585 HydrophobicContact CG2-CD1 3.66Å; I583-Y585 HydrophobicContact CG2-CD2 4.32Å; I583-Y585 HydrophobicContact CG2-CE1 3.46Å; I583-Y585 VanDerWaalsContact CG2-CE1 3.46Å; I583-Y585 HydrophobicContact CG2-CE2 4.12Å; I583-Y585 HydrophobicContact CG2-CG 4.11Å; I583-Y585 PolarHBondContact O-N 2.96Å
584A95.6Very high95.5Very high36 Ų3655.4 Ų55.430%0.29836%0.359SS..  trans-89.682.8173.800000110.6A582 E586 K587 V588A582-A584 PolarHBondContact O-N 3.12Å; A584-E586 WeakPolarHBondContact CA-OE2 3.36Å; A584-E586 WeakPolarHBondContact CB-OE1 3.38Å; A584-E586 PolarHBondContact O-N 2.96Å; A584-K587 HydrophobicContact CB-CB 4Å; A584-K587 HydrophobicContact CB-CG 3.85Å; A584-K587 WeakPolarHBondContact O-CB 3.4Å; A584-K587 PolarHBondContact O-N 2.77Å; A584-V588 PolarHBondContact O-N 3.5Å; A584-V588 VanDerWaalsContact O-N 3.12Å
585Y97.3Very high95.6Very high17 Ų1754.2 Ų54.27%0.06735%0.349CS..Hα-helixtrans-58-30.8-176.4-67.4-65.7000113.8D530 F533 I554 I583 K587 V588 A589 N624D530-Y585 HydrophobicContact CB-CE2 3.71Å; F533-Y585 AromaticContact CD1-CD1 3.49Å; F533-Y585 HydrophobicContact CD1-CD1 3.49Å; F533-Y585 VanDerWaalsContact CD1-CD1 3.49Å; F533-Y585 AromaticContact CD1-CE1 3.95Å; F533-Y585 HydrophobicContact CD1-CE1 3.95Å; F533-Y585 AromaticContact CD1-CG 3.89Å; F533-Y585 HydrophobicContact CD1-CG 3.89Å; F533-Y585 AromaticContact CE1-CD1 3.56Å; F533-Y585 HydrophobicContact CE1-CD1 3.56Å; F533-Y585 HydrophobicContact CE1-CE1 4.39Å; F533-Y585 AromaticContact CE1-CG 3.93Å; F533-Y585 HydrophobicContact CE1-CG 3.93Å; I554-Y585 HydrophobicContact CD1-CG 4.45Å; I554-Y585 HydrophobicContact CG2-CD2 4.32Å; I583-Y585 HydrophobicContact CG2-CD1 3.66Å; I583-Y585 HydrophobicContact CG2-CD2 4.32Å; I583-Y585 HydrophobicContact CG2-CE1 3.46Å; I583-Y585 VanDerWaalsContact CG2-CE1 3.46Å; I583-Y585 HydrophobicContact CG2-CE2 4.12Å; I583-Y585 HydrophobicContact CG2-CG 4.11Å; I583-Y585 PolarHBondContact O-N 2.96Å; Y585-K587 VanDerWaalsContact C-N 3.32Å; Y585-V588 PolarHBondContact O-N 3.41Å; Y585-A589 PolarHBondContact O-N 3.08Å; Y585-N624 PolarHBondContact N-ND2 3.45Å
586E97.3Very high95.6Very high22 Ų2249.6 Ų49.610%0.10332%0.322CS..Hα-helixtrans-64.3-37.1174.276.5-71175.500112A584 A589 E590 F597 A598 N624A584-E586 WeakPolarHBondContact CA-OE2 3.36Å; A584-E586 WeakPolarHBondContact CB-OE1 3.38Å; A584-E586 PolarHBondContact O-N 2.96Å; E586-A589 WeakPolarHBondContact O-CB 3.38Å; E586-A589 PolarHBondContact O-N 3.43Å; E586-E590 WeakPolarHBondContact O-CG 3.44Å; E586-E590 PolarHBondContact O-N 2.91Å; E586-F597 WeakPolarHBondContact CB-O 3.42Å; E586-A598 HydrophobicContact CG-CB 4.03Å; E586-N624 HydrophobicContact CB-CB 4.08Å; E586-N624 WeakPolarHBondContact OE2-CB 3.3Å; E586-N624 PolarHBondContact OE2-ND2 3.14Å
587K97.9Very high95.7Very high112 Ų11248.3 Ų48.349%0.48730%0.297SS..Hα-helixtrans-72.9-33.8175.3-63.2-51.1-172.8-171.70112A584 Y585 A589 E590 G591A584-K587 HydrophobicContact CB-CB 4Å; A584-K587 HydrophobicContact CB-CG 3.85Å; A584-K587 WeakPolarHBondContact O-CB 3.4Å; A584-K587 PolarHBondContact O-N 2.77Å; Y585-K587 VanDerWaalsContact C-N 3.32Å; K587-A589 VanDerWaalsContact C-N 3.33Å; K587-E590 WeakPolarHBondContact CD-OE2 3.45Å; K587-E590 IonicContact NZ-OE1 2.88Å; K587-E590 PolarHBondContact NZ-OE1 2.71Å; K587-E590 IonicContact NZ-OE2 3.78Å; K587-E590 PolarHBondContact NZ-OE2 3.05Å; K587-E590 PolarHBondContact O-N 3.29Å; K587-G591 PolarHBondContact O-N 2.95Å
588V97.1Very high95.8Very high52 Ų5250.3 Ų50.332%0.31531%0.314SS..Hα-helixtrans-62.6-43.9170.8-178.30000110.3V537 A584 Y585 G591 F592V537-V588 HydrophobicContact CG2-CB 4.47Å; V537-V588 HydrophobicContact CG2-CG1 3.47Å; V537-V588 VanDerWaalsContact CG2-CG1 3.47Å; A584-V588 PolarHBondContact O-N 3.5Å; A584-V588 VanDerWaalsContact O-N 3.12Å; Y585-V588 PolarHBondContact O-N 3.41Å; V588-G591 PolarHBondContact O-N 3.14Å; V588-G591 VanDerWaalsContact O-N 3.15Å; V588-F592 HydrophobicContact CG1-CD2 4.18Å; V588-F592 HydrophobicContact CG1-CE2 4Å; V588-F592 WeakPolarHBondContact O-CD2 3.09Å; V588-F592 PolarHBondContact O-N 3.43Å
589A97.3Very high95.8Very high0 Ų046 Ų460%029%0.292CS..Hα-helixtrans-61.4-44.5175.700000112.5I540 Y585 E586 K587 G591 F592 G593 A594 F622I540-A589 HydrophobicContact CD1-CB 3.91Å; Y585-A589 PolarHBondContact O-N 3.08Å; E586-A589 WeakPolarHBondContact O-CB 3.38Å; E586-A589 PolarHBondContact O-N 3.43Å; K587-A589 VanDerWaalsContact C-N 3.33Å; A589-G591 VanDerWaalsContact C-N 3.27Å; A589-G591 PolarHBondContact O-N 2.96Å; A589-F592 PolarHBondContact O-N 3.36Å; A589-F592 VanDerWaalsContact O-N 3.14Å; A589-G593 PolarHBondContact O-N 3.38Å; A589-A594 HydrophobicContact CB-CB 4.19Å; A589-A594 WeakPolarHBondContact O-CB 3.26Å; A589-A594 PolarHBondContact O-N 3.27Å; A589-F622 HydrophobicContact CB-CB 3.65Å; A589-F622 HydrophobicContact CB-CD2 3.7Å; A589-F622 HydrophobicContact CB-CG 3.77Å
590E97.3Very high95.7Very high79 Ų7946.1 Ų46.137%0.36929%0.293SS..Hα-helixtrans-56-42.1171.9-73171.9-16400111.6E586 K587 F592 G593E586-E590 WeakPolarHBondContact O-CG 3.44Å; E586-E590 PolarHBondContact O-N 2.91Å; K587-E590 WeakPolarHBondContact CD-OE2 3.45Å; K587-E590 IonicContact NZ-OE1 2.88Å; K587-E590 PolarHBondContact NZ-OE1 2.71Å; K587-E590 IonicContact NZ-OE2 3.78Å; K587-E590 PolarHBondContact NZ-OE2 3.05Å; K587-E590 PolarHBondContact O-N 3.29Å; E590-F592 PolarHBondContact O-N 2.95Å; E590-G593 PolarHBondContact O-N 3.47Å
591G97.5Very high95.6Very high70 Ų7046.4 Ų46.472%0.72229%0.294SS*.Hα-helixtrans-61.6-26.5177.900000114.6K587 V588 A589K587-G591 PolarHBondContact O-N 2.95Å; V588-G591 PolarHBondContact O-N 3.14Å; V588-G591 VanDerWaalsContact O-N 3.15Å; A589-G591 VanDerWaalsContact C-N 3.27Å; A589-G591 PolarHBondContact O-N 2.96Å
592F97Very high95.6Very high69 Ų6945.9 Ų45.930%0.30329%0.294SS..THydrogen-bonded Turntrans-90.91.6172.2-76.9-72000113.7I540 D541 V588 A589 E590I540-F592 HydrophobicContact CB-CB 3.79Å; I540-F592 HydrophobicContact CB-CD2 4.05Å; I540-F592 HydrophobicContact CB-CG 4.02Å; I540-F592 HydrophobicContact CD1-CD2 4.09Å; I540-F592 HydrophobicContact CG2-CB 3.49Å; I540-F592 VanDerWaalsContact CG2-CB 3.49Å; I540-F592 HydrophobicContact CG2-CG 4.27Å; D541-F592 HydrophobicContact CB-CD1 3.9Å; D541-F592 HydrophobicContact CB-CE1 4.16Å; V588-F592 HydrophobicContact CG1-CD2 4.18Å; V588-F592 HydrophobicContact CG1-CE2 4Å; V588-F592 WeakPolarHBondContact O-CD2 3.09Å; V588-F592 PolarHBondContact O-N 3.43Å; A589-F592 PolarHBondContact O-N 3.36Å; A589-F592 VanDerWaalsContact O-N 3.14Å; E590-F592 PolarHBondContact O-N 2.95Å
593G96.1Very high95.8Very high32 Ų3243.2 Ų43.233%0.3327%0.267SS..THydrogen-bonded Turntrans89.29.7179.700000115.1A589 E590 R619A589-G593 PolarHBondContact O-N 3.38Å; E590-G593 PolarHBondContact O-N 3.47Å; G593-R619 PolarHBondContact O-NE 2.89Å; G593-R619 PolarHBondContact O-NH2 3.48Å
594A96.9Very high95.8Very high1 Ų141.1 Ų41.11%0.00826%0.26CS..SBendtrans-84.2176.717100000111.8I540 V544 A589 R619 A620 F622I540-A594 HydrophobicContact CG2-CB 3.6Å; V544-A594 HydrophobicContact CG2-CB 4.31Å; A589-A594 HydrophobicContact CB-CB 4.19Å; A589-A594 WeakPolarHBondContact O-CB 3.26Å; A589-A594 PolarHBondContact O-N 3.27Å; A594-R619 PolarHBondContact O-NH2 3.24Å; A594-R619 VanDerWaalsContact O-NH2 3.13Å; A594-A620 HydrophobicContact CB-CB 4.3Å; A594-A620 WeakPolarHBondContact CB-O 3.22Å; A594-F622 HydrophobicContact CB-CD2 3.78Å; A594-F622 HydrophobicContact CB-CE2 3.86Å
595I96.6Very high95.5Very high18 Ų1845.5 Ų45.59%0.09228%0.278CS..EExtended strand (participates in β ladder)trans-94.7129.1172-59.2172000108.3F597 I614 R619 A620 V621 F622I595-F597 HydrophobicContact CG2-CE1 4.39Å; I595-F597 HydrophobicContact CG2-CE2 4.01Å; I595-F597 HydrophobicContact CG2-CZ 3.91Å; I595-I614 HydrophobicContact CB-CD1 4.39Å; I595-I614 HydrophobicContact CD1-CB 4.24Å; I595-I614 HydrophobicContact CD1-CD1 3.95Å; I595-I614 HydrophobicContact CD1-CG2 4.24Å; I595-I614 HydrophobicContact CG2-CD1 3.95Å; I595-R619 HydrophobicContact CD1-CB 3.94Å; I595-R619 HydrophobicContact CG1-CB 4.19Å; I595-A620 PolarHBondContact N-O 3.4Å; I595-V621 CarbonylContact O-C 3.5Å; I595-V621 WeakPolarHBondContact O-CA 3.45Å; I595-F622 PolarHBondContact O-N 2.94Å
596G96.9Very high95.2Very high8 Ų849.2 Ų49.28%0.08230%0.296CS..EExtended strand (participates in β ladder)trans-111.7137.6177.500000112.2F622G596-F622 CarbonylContact C-O 3.39Å; G596-F622 WeakPolarHBondContact CA-O 3.5Å
597F97.1Very high95Very high42 Ų4248.2 Ų48.218%0.18429%0.292CS..EExtended strand (participates in β ladder)trans-129.1141.7166.4-63.8-58.2000111.3E586 I595 M610 I614 V621 F622 V623 N624E586-F597 WeakPolarHBondContact CB-O 3.42Å; I595-F597 HydrophobicContact CG2-CE1 4.39Å; I595-F597 HydrophobicContact CG2-CE2 4.01Å; I595-F597 HydrophobicContact CG2-CZ 3.91Å; F597-M610 HydrophobicContact CB-SD 4.13Å; F597-M610 HydrophobicContact CD1-CB 4.36Å; F597-M610 HydrophobicContact CD1-CG 4.33Å; F597-M610 HydrophobicContact CD1-SD 4.3Å; F597-M610 HydrophobicContact CD2-CB 3.98Å; F597-M610 HydrophobicContact CE1-CB 4.35Å; F597-M610 HydrophobicContact CE1-CG 4.49Å; F597-M610 HydrophobicContact CE2-CB 3.92Å; F597-M610 HydrophobicContact CG-CB 4.19Å; F597-M610 HydrophobicContact CG-CG 4.47Å; F597-M610 HydrophobicContact CG-SD 4.2Å; F597-M610 HydrophobicContact CZ-CB 4.13Å; F597-I614 HydrophobicContact CE2-CD1 3.47Å; F597-I614 VanDerWaalsContact CE2-CD1 3.47Å; F597-I614 HydrophobicContact CE2-CG1 4.34Å; F597-I614 HydrophobicContact CZ-CD1 3.99Å; F597-I614 HydrophobicContact CZ-CG2 4.29Å; F597-V621 HydrophobicContact CD2-CG1 4.07Å; F597-V621 HydrophobicContact CE2-CG1 4.12Å; F597-F622 PolarHBondContact N-O 3.41Å; F597-V623 HydrophobicContact CB-CG2 4.42Å; F597-V623 HydrophobicContact CD2-CG2 4.3Å; F597-V623 CarbonylContact O-C 3.45Å; F597-V623 WeakPolarHBondContact O-CA 3.26Å; F597-N624 PolarHBondContact O-N 3.39Å
598A96.7Very high94.7Very high45 Ų4545.5 Ų45.537%0.37228%0.282SS..EExtended strand (participates in β ladder)trans-106.3129171.100000110.1E586 N603 N624E586-A598 HydrophobicContact CG-CB 4.03Å; A598-N603 PolarHBondContact O-ND2 2.61Å; A598-N603 VanDerWaalsContact O-ND2 3.11Å; A598-N624 WeakPolarHBondContact CA-O 3.44Å
599V95.5Very high94.4Very high3 Ų350.7 Ų50.72%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-130134.7-179-1690000109.9I454 N603 A604 L607 M610 V623 N624 A625 L626I454-V599 HydrophobicContact CD1-CB 4.35Å; I454-V599 HydrophobicContact CD1-CG1 3.73Å; V599-N603 WeakPolarHBondContact CA-OD1 3.29Å; V599-A604 HydrophobicContact CG1-CB 4.29Å; V599-L607 HydrophobicContact CG2-CD1 4.3Å; V599-M610 HydrophobicContact CG2-SD 3.92Å; V599-V623 HydrophobicContact CB-CG1 4.33Å; V599-V623 HydrophobicContact CG2-CG1 3.55Å; V599-N624 PolarHBondContact N-O 3.01Å; V599-A625 CarbonylContact O-C 3.55Å; V599-A625 WeakPolarHBondContact O-CA 3.35Å; V599-L626 PolarHBondContact O-N 3.45Å
600N94.3Very high94.2Very high44 Ų4452.1 Ų52.124%0.23531%0.308CS..  trans-142.9-171.8174.766.750.3000109.6S602 N603 A604 L626N600-S602 PolarHBondContact O-N 3.23Å; N600-S602 VanDerWaalsContact O-N 3.15Å; N600-S602 WeakPolarHBondContact OD1-CB 3.46Å; N600-S602 PolarHBondContact OD1-N 2.88Å; N600-S602 PolarHBondContact OD1-OG 3.32Å; N600-N603 PolarHBondContact N-OD1 2.85Å; N600-N603 PolarHBondContact O-N 3.11Å; N600-N603 PolarHBondContact O-OD1 3.26Å; N600-A604 WeakPolarHBondContact O-CB 3.48Å; N600-A604 PolarHBondContact O-N 2.98Å; N600-L626 HydrophobicContact CB-CB 4.14Å; N600-L626 HydrophobicContact CB-CD2 4.32Å
601S91.3Very high93.8Very high65 Ų6548.7 Ų48.746%0.45529%0.293SS..THydrogen-bonded Turntrans-59.7-25.8-176.764.20000114.8P452P452-S601 WeakPolarHBondContact O-CB 3.44Å; P452-S601 PolarHBondContact O-N 3.17Å; P452-S601 PolarHBondContact O-OG 2.83Å; P452-S601 VanDerWaalsContact O-OG 3.12Å
602S91.8Very high93.3Very high94 Ų9449.5 Ų49.566%0.65728%0.283SS*.THydrogen-bonded Turntrans-80.6-22.3-176.873.70000114.3N600N600-S602 PolarHBondContact O-N 3.23Å; N600-S602 VanDerWaalsContact O-N 3.15Å; N600-S602 WeakPolarHBondContact OD1-CB 3.46Å; N600-S602 PolarHBondContact OD1-N 2.88Å; N600-S602 PolarHBondContact OD1-OG 3.32Å
603N93.5Very high92.9Very high30 Ų3050 Ų5016%0.1630%0.296CS..THydrogen-bonded Turntrans-130.212.3-177.170.1-7.1000113.6A598 V599 N600 N605 E606A598-N603 PolarHBondContact O-ND2 2.61Å; A598-N603 VanDerWaalsContact O-ND2 3.11Å; V599-N603 WeakPolarHBondContact CA-OD1 3.29Å; N600-N603 PolarHBondContact N-OD1 2.85Å; N600-N603 PolarHBondContact O-N 3.11Å; N600-N603 PolarHBondContact O-OD1 3.26Å; N603-N605 PolarHBondContact O-N 3.44Å; N603-N605 VanDerWaalsContact O-N 3.15Å; N603-E606 HydrophobicContact CB-CG 4.45Å; N603-E606 WeakPolarHBondContact O-CB 3.24Å; N603-E606 PolarHBondContact O-N 2.84Å
604A90.4Very high92.3Very high25 Ų2549.2 Ų49.221%0.20728%0.284CS..G310 helixtrans-56-31.3179.200000113.6I454 V599 N600 E606 L607I454-A604 HydrophobicContact CD1-CB 4Å; I454-A604 HydrophobicContact CG1-CB 4.11Å; I454-A604 HydrophobicContact CG2-CB 4.25Å; V599-A604 HydrophobicContact CG1-CB 4.29Å; N600-A604 WeakPolarHBondContact O-CB 3.48Å; N600-A604 PolarHBondContact O-N 2.98Å; A604-E606 PolarHBondContact O-N 2.69Å; A604-L607 WeakPolarHBondContact O-CB 3.43Å; A604-L607 PolarHBondContact O-N 2.67Å
605N89.5Confident91.3Very high127 Ų12756.1 Ų56.168%0.67931%0.314SS*.G310 helixtrans-66.1-18.917560.8-20.1000113.6N603N603-N605 PolarHBondContact O-N 3.44Å; N603-N605 VanDerWaalsContact O-N 3.15Å
606E92.4Very high90.4Very high95 Ų9562.7 Ų62.744%0.44435%0.349SS..G310 helixtrans-85.8-11178.9-57.7-171.6165.700113.3N603 A604 N608 K609 M610N603-E606 HydrophobicContact CB-CG 4.45Å; N603-E606 WeakPolarHBondContact O-CB 3.24Å; N603-E606 PolarHBondContact O-N 2.84Å; A604-E606 PolarHBondContact O-N 2.69Å; E606-N608 VanDerWaalsContact C-N 3.26Å; E606-N608 PolarHBondContact O-N 3.23Å; E606-K609 WeakPolarHBondContact O-CA 3.47Å; E606-K609 WeakPolarHBondContact O-CB 3.38Å; E606-K609 PolarHBondContact O-N 2.9Å; E606-M610 HydrophobicContact CB-CE 3.89Å; E606-M610 WeakPolarHBondContact O-CG 3.46Å; E606-M610 PolarHBondContact O-N 3.12Å
607L92.8Very high89.8Confident1 Ų166.3 Ų66.31%0.00536%0.364CS..Hα-helixtrans-51.5-44.5-176.7177.658.8000112.4L459 N462 V463 L466 V599 A604 K609 M610 V611 V623L459-L607 HydrophobicContact CD1-CD2 3.71Å; N462-L607 WeakPolarHBondContact OD1-CD2 3.3Å; V463-L607 HydrophobicContact CG2-CD2 4.06Å; L466-L607 HydrophobicContact CD1-CD2 4.35Å; L466-L607 HydrophobicContact CD1-CG 4.01Å; V599-L607 HydrophobicContact CG2-CD1 4.3Å; A604-L607 WeakPolarHBondContact O-CB 3.43Å; A604-L607 PolarHBondContact O-N 2.67Å; L607-K609 VanDerWaalsContact C-N 3.3Å; L607-K609 PolarHBondContact O-N 3.43Å; L607-M610 PolarHBondContact O-N 2.95Å; L607-V611 HydrophobicContact CD1-CG2 3.87Å; L607-V611 WeakPolarHBondContact O-CG2 3.34Å; L607-V611 PolarHBondContact O-N 3.36Å; L607-V623 HydrophobicContact CD1-CG1 3.83Å; L607-V623 HydrophobicContact CD1-CG2 4.25Å
608N90.4Very high89.3Confident55 Ų5569.4 Ų69.429%0.29439%0.388SS..Hα-helixtrans-58.6-43177.9-71.4-3000112.1N462 L466 E606 T612N462-N608 PolarHBondContact ND2-OD1 2.91Å; N462-N608 PolarHBondContact OD1-OD1 3.39Å; L466-N608 VanDerWaalsContact CD1-OD1 3.23Å; L466-N608 WeakPolarHBondContact CD1-OD1 3.5Å; L466-N608 HydrophobicContact CD2-CB 4.08Å; L466-N608 VanDerWaalsContact CD2-OD1 3.28Å; L466-N608 WeakPolarHBondContact CD2-OD1 3.07Å; L466-N608 WeakPolarHBondContact CG-OD1 3.37Å; E606-N608 VanDerWaalsContact C-N 3.26Å; E606-N608 PolarHBondContact O-N 3.23Å; N608-T612 WeakPolarHBondContact O-CB 3.41Å; N608-T612 PolarHBondContact O-N 2.98Å; N608-T612 PolarHBondContact O-OG1 2.7Å
609K92.1Very high89Confident161 Ų16172.4 Ų72.470%0.739%0.39SS*.Hα-helixtrans-69-43.7178.6-175-177.3176.3-173.30110.9E606 L607 T612 S613E606-K609 WeakPolarHBondContact O-CA 3.47Å; E606-K609 WeakPolarHBondContact O-CB 3.38Å; E606-K609 PolarHBondContact O-N 2.9Å; L607-K609 VanDerWaalsContact C-N 3.3Å; L607-K609 PolarHBondContact O-N 3.43Å; K609-T612 PolarHBondContact O-N 3.26Å; K609-S613 VanDerWaalsContact O-CB 3.25Å; K609-S613 WeakPolarHBondContact O-CB 3.27Å; K609-S613 PolarHBondContact O-N 2.87Å; K609-S613 PolarHBondContact O-OG 3.43Å
610M92.3Very high89Confident30 Ų3072.4 Ų72.415%0.14839%0.39CS..Hα-helixtrans-56.8-54.3177.8-68.5175.8179.500110.5F597 V599 E606 L607 S613F597-M610 HydrophobicContact CB-SD 4.13Å; F597-M610 HydrophobicContact CD1-CB 4.36Å; F597-M610 HydrophobicContact CD1-CG 4.33Å; F597-M610 HydrophobicContact CD1-SD 4.3Å; F597-M610 HydrophobicContact CD2-CB 3.98Å; F597-M610 HydrophobicContact CE1-CB 4.35Å; F597-M610 HydrophobicContact CE1-CG 4.49Å; F597-M610 HydrophobicContact CE2-CB 3.92Å; F597-M610 HydrophobicContact CG-CB 4.19Å; F597-M610 HydrophobicContact CG-CG 4.47Å; F597-M610 HydrophobicContact CG-SD 4.2Å; F597-M610 HydrophobicContact CZ-CB 4.13Å; V599-M610 HydrophobicContact CG2-SD 3.92Å; E606-M610 HydrophobicContact CB-CE 3.89Å; E606-M610 WeakPolarHBondContact O-CG 3.46Å; E606-M610 PolarHBondContact O-N 3.12Å; L607-M610 PolarHBondContact O-N 2.95Å; M610-S613 PolarHBondContact O-OG 3.25Å
611V88.7Confident89.1Confident8 Ų870.6 Ų70.65%0.04838%0.381CS..Hα-helixtrans-66.6-43.8-178.3175.40000112.1L466 W525 I551 L607 S613 I614 K615L466-V611 HydrophobicContact CD1-CB 4.47Å; L466-V611 HydrophobicContact CD1-CG2 4.36Å; W525-V611 HydrophobicContact CH2-CG1 3.92Å; W525-V611 HydrophobicContact CZ2-CG1 4.14Å; I551-V611 HydrophobicContact CD1-CG1 3.95Å; L607-V611 HydrophobicContact CD1-CG2 3.87Å; L607-V611 WeakPolarHBondContact O-CG2 3.34Å; L607-V611 PolarHBondContact O-N 3.36Å; V611-S613 VanDerWaalsContact C-N 3.33Å; V611-S613 PolarHBondContact O-N 2.76Å; V611-I614 WeakPolarHBondContact O-CG1 3.34Å; V611-I614 PolarHBondContact O-N 3.18Å; V611-K615 PolarHBondContact O-N 2.96Å
612T87.1Confident89.4Confident86 Ų8667.7 Ų67.753%0.52836%0.36SS..Hα-helixtrans-67.6-34.2-177.3-550000112.1N608 K609 I614 K615N608-T612 WeakPolarHBondContact O-CB 3.41Å; N608-T612 PolarHBondContact O-N 2.98Å; N608-T612 PolarHBondContact O-OG1 2.7Å; K609-T612 PolarHBondContact O-N 3.26Å; T612-I614 PolarHBondContact O-N 3.37Å; T612-I614 VanDerWaalsContact O-N 3.09Å; T612-K615 PolarHBondContact O-N 3.37Å
613S87.7Confident89.7Confident81 Ų8163.2 Ų63.257%0.56633%0.328SS*.THydrogen-bonded Turntrans-65.4-13.5-178.465.60000114.8K609 M610 V611K609-S613 VanDerWaalsContact O-CB 3.25Å; K609-S613 WeakPolarHBondContact O-CB 3.27Å; K609-S613 PolarHBondContact O-N 2.87Å; K609-S613 PolarHBondContact O-OG 3.43Å; M610-S613 PolarHBondContact O-OG 3.25Å; V611-S613 VanDerWaalsContact C-N 3.33Å; V611-S613 PolarHBondContact O-N 2.76Å
614I85.3Confident89.9Confident14 Ų1462.5 Ų62.57%0.07232%0.324CS..THydrogen-bonded Turntrans-123.98.4-178.164.2171.9000113.2I595 F597 V611 T612 D616 Q617 V621I595-I614 HydrophobicContact CB-CD1 4.39Å; I595-I614 HydrophobicContact CD1-CB 4.24Å; I595-I614 HydrophobicContact CD1-CD1 3.95Å; I595-I614 HydrophobicContact CD1-CG2 4.24Å; I595-I614 HydrophobicContact CG2-CD1 3.95Å; F597-I614 HydrophobicContact CE2-CD1 3.47Å; F597-I614 VanDerWaalsContact CE2-CD1 3.47Å; F597-I614 HydrophobicContact CE2-CG1 4.34Å; F597-I614 HydrophobicContact CZ-CD1 3.99Å; F597-I614 HydrophobicContact CZ-CG2 4.29Å; V611-I614 WeakPolarHBondContact O-CG1 3.34Å; V611-I614 PolarHBondContact O-N 3.18Å; T612-I614 PolarHBondContact O-N 3.37Å; T612-I614 VanDerWaalsContact O-N 3.09Å; I614-D616 PolarHBondContact O-N 3Å; I614-D616 VanDerWaalsContact O-N 3.09Å; I614-Q617 HydrophobicContact CB-CG 4.33Å; I614-Q617 WeakPolarHBondContact O-CB 3.24Å; I614-Q617 PolarHBondContact O-N 3.21Å; I614-V621 HydrophobicContact CD1-CB 4.01Å; I614-V621 HydrophobicContact CD1-CG1 3.48Å; I614-V621 VanDerWaalsContact CD1-CG1 3.48Å; I614-V621 HydrophobicContact CD1-CG2 3.29Å; I614-V621 HydrophobicContact CG1-CG2 4.24Å
615K74.9Confident90.2Very high147 Ų14761.3 Ų61.364%0.63932%0.315SS*.THydrogen-bonded Turntrans-55.6-31.9-174.5-173.6-179.3176.5-174.50113.3V611 T612V611-K615 PolarHBondContact O-N 2.96Å; T612-K615 PolarHBondContact O-N 3.37Å
616D77.3Confident90.5Very high156 Ų15657.3 Ų57.383%0.83429%0.293SS*.THydrogen-bonded Turntrans-92.61.7-178.6-55-42000113.3I614I614-D616 PolarHBondContact O-N 3Å; I614-D616 VanDerWaalsContact O-N 3.09Å
617Q83.9Confident90.6Very high84 Ų8453.3 Ų53.339%0.39328%0.275SS..SBendtrans-85.5130.1177.2-60.8-170.228.800110.4I614 R619I614-Q617 HydrophobicContact CB-CG 4.33Å; I614-Q617 WeakPolarHBondContact O-CB 3.24Å; I614-Q617 PolarHBondContact O-N 3.21Å; Q617-R619 PolarHBondContact O-N 2.87Å
618P86.9Confident90.6Very high107 Ų10753.4 Ų53.470%0.69528%0.276SS*.SBendtrans-79.247.8179.334.9-37.2000111.4
619R91.9Very high90.3Very high108 Ų10855.8 Ų55.841%0.40828%0.281SS..SBendtrans-124.7146.3-177.2-66.3-179.168.2-161.10.1110.6G593 A594 I595 Q617G593-R619 PolarHBondContact O-NE 2.89Å; G593-R619 PolarHBondContact O-NH2 3.48Å; A594-R619 PolarHBondContact O-NH2 3.24Å; A594-R619 VanDerWaalsContact O-NH2 3.13Å; I595-R619 HydrophobicContact CD1-CB 3.94Å; I595-R619 HydrophobicContact CG1-CB 4.19Å; Q617-R619 PolarHBondContact O-N 2.87Å
620A95.2Very high89.9Confident3 Ų348.6 Ų48.63%0.02525%0.25CS..  trans-68.6142.9170.200000110.3L543 V550 A594 I595 F622L543-A620 HydrophobicContact CB-CB 4.42Å; V550-A620 HydrophobicContact CG2-CB 4.11Å; V550-A620 CarbonylContact O-C 3.51Å; V550-A620 WeakPolarHBondContact O-CA 3.2Å; A594-A620 HydrophobicContact CB-CB 4.3Å; A594-A620 WeakPolarHBondContact CB-O 3.22Å; I595-A620 PolarHBondContact N-O 3.4Å; A620-F622 HydrophobicContact CB-CE2 3.77Å
621V96.2Very high89.4Confident6 Ų651.9 Ų51.94%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-123.8132-175.6-173.80000108.9V550 I551 A552 I595 F597 I614 V623V550-V621 PolarHBondContact O-N 3.15Å; I551-V621 HydrophobicContact CG1-CB 4.28Å; I551-V621 HydrophobicContact CG1-CG2 4.29Å; I551-V621 HydrophobicContact CG2-CB 4.45Å; A552-V621 PolarHBondContact N-O 3.38Å; I595-V621 CarbonylContact O-C 3.5Å; I595-V621 WeakPolarHBondContact O-CA 3.45Å; F597-V621 HydrophobicContact CD2-CG1 4.07Å; F597-V621 HydrophobicContact CE2-CG1 4.12Å; I614-V621 HydrophobicContact CD1-CB 4.01Å; I614-V621 HydrophobicContact CD1-CG1 3.48Å; I614-V621 VanDerWaalsContact CD1-CG1 3.48Å; I614-V621 HydrophobicContact CD1-CG2 3.29Å; I614-V621 HydrophobicContact CG1-CG2 4.24Å; V621-V623 HydrophobicContact CG1-CG2 4.41Å
622F97.5Very high89.1Confident3 Ų353.6 Ų53.61%0.01328%0.275CS..EExtended strand (participates in β ladder)trans-125.9115.1177.8-67.4-94.9000109.8F533 I540 L543 A552 I554 A589 A594 I595 G596 F597 A620F533-F622 AromaticContact CE2-CD1 3.69Å; F533-F622 HydrophobicContact CE2-CD1 3.69Å; F533-F622 AromaticContact CE2-CE1 3.59Å; F533-F622 HydrophobicContact CE2-CE1 3.59Å; F533-F622 AromaticContact CZ-CD1 3.79Å; F533-F622 HydrophobicContact CZ-CD1 3.79Å; F533-F622 HydrophobicContact CZ-CE1 4.04Å; I540-F622 HydrophobicContact CB-CE2 4.45Å; I540-F622 HydrophobicContact CB-CZ 4.43Å; I540-F622 HydrophobicContact CD1-CE1 4.41Å; I540-F622 HydrophobicContact CD1-CE2 4.41Å; I540-F622 HydrophobicContact CD1-CZ 4.32Å; I540-F622 HydrophobicContact CG1-CE1 4.05Å; I540-F622 HydrophobicContact CG1-CE2 3.98Å; I540-F622 HydrophobicContact CG1-CZ 3.67Å; I540-F622 HydrophobicContact CG2-CD2 4.49Å; I540-F622 HydrophobicContact CG2-CE2 3.82Å; I540-F622 HydrophobicContact CG2-CZ 4.28Å; L543-F622 HydrophobicContact CD1-CZ 3.89Å; A552-F622 HydrophobicContact CB-CD1 3.46Å; A552-F622 VanDerWaalsContact CB-CD1 3.46Å; A552-F622 HydrophobicContact CB-CE1 3.58Å; A552-F622 HydrophobicContact CB-CG 4.19Å; A552-F622 HydrophobicContact CB-CZ 4.41Å; I554-F622 HydrophobicContact CD1-CB 4.48Å; I554-F622 HydrophobicContact CD1-CD1 4.34Å; A589-F622 HydrophobicContact CB-CB 3.65Å; A589-F622 HydrophobicContact CB-CD2 3.7Å; A589-F622 HydrophobicContact CB-CG 3.77Å; A594-F622 HydrophobicContact CB-CD2 3.78Å; A594-F622 HydrophobicContact CB-CE2 3.86Å; I595-F622 PolarHBondContact O-N 2.94Å; G596-F622 CarbonylContact C-O 3.39Å; G596-F622 WeakPolarHBondContact CA-O 3.5Å; F597-F622 PolarHBondContact N-O 3.41Å; A620-F622 HydrophobicContact CB-CE2 3.77Å
623V97.5Very high88.8Confident0 Ų051.3 Ų51.30%026%0.257CS..EExtended strand (participates in β ladder)trans-100.4108175.6-175.10000108.3A552 I553 I554 F597 V599 L607 V621 A625A552-V623 PolarHBondContact O-N 3.11Å; I553-V623 HydrophobicContact CD1-CB 3.7Å; I553-V623 HydrophobicContact CD1-CG1 4.3Å; I553-V623 HydrophobicContact CD1-CG2 3.74Å; I554-V623 PolarHBondContact N-O 3.47Å; F597-V623 HydrophobicContact CB-CG2 4.42Å; F597-V623 HydrophobicContact CD2-CG2 4.3Å; F597-V623 CarbonylContact O-C 3.45Å; F597-V623 WeakPolarHBondContact O-CA 3.26Å; V599-V623 HydrophobicContact CB-CG1 4.33Å; V599-V623 HydrophobicContact CG2-CG1 3.55Å; L607-V623 HydrophobicContact CD1-CG1 3.83Å; L607-V623 HydrophobicContact CD1-CG2 4.25Å; V621-V623 HydrophobicContact CG1-CG2 4.41Å; V623-A625 PolarHBondContact O-N 3.15Å
624N97.8Very high88.1Confident15 Ų1551.9 Ų51.98%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-82.1100.9170.5-175.918.5000109N556 Y585 E586 F597 A598 V599N556-N624 WeakPolarHBondContact CB-OD1 3.42Å; N556-N624 PolarHBondContact ND2-OD1 3.14Å; Y585-N624 PolarHBondContact N-ND2 3.45Å; E586-N624 HydrophobicContact CB-CB 4.08Å; E586-N624 WeakPolarHBondContact OE2-CB 3.3Å; E586-N624 PolarHBondContact OE2-ND2 3.14Å; F597-N624 PolarHBondContact O-N 3.39Å; A598-N624 WeakPolarHBondContact CA-O 3.44Å; V599-N624 PolarHBondContact N-O 3.01Å
625A97Very high87.2Confident0 Ų054.9 Ų54.90%029%0.288CS..EExtended strand (participates in β ladder)trans-102.1107.4-177.500000110.3I454 L459 I554 N556 V599 V623 I627I454-A625 HydrophobicContact CD1-CB 4.46Å; L459-A625 HydrophobicContact CD1-CB 4.34Å; L459-A625 HydrophobicContact CD2-CB 3.54Å; I554-A625 PolarHBondContact O-N 3.11Å; N556-A625 PolarHBondContact N-O 3.42Å; V599-A625 CarbonylContact O-C 3.55Å; V599-A625 WeakPolarHBondContact O-CA 3.35Å; V623-A625 PolarHBondContact O-N 3.15Å; A625-I627 PolarHBondContact O-N 3.23Å
626L96.3Very high86.7Confident44 Ų4449.7 Ų49.723%0.2327%0.27CS..EExtended strand (participates in β ladder)trans-68.9110.4173.9-177.168.4000109.2P452 G453 I454 N556 N558 V599 N600P452-L626 HydrophobicContact CG-CD2 3.88Å; G453-L626 WeakPolarHBondContact CA-O 3.49Å; I454-L626 WeakPolarHBondContact CG1-O 3.49Å; I454-L626 PolarHBondContact N-O 3.05Å; N556-L626 WeakPolarHBondContact O-CA 3.29Å; N558-L626 WeakPolarHBondContact ND2-CD1 3.39Å; V599-L626 PolarHBondContact O-N 3.45Å; N600-L626 HydrophobicContact CB-CB 4.14Å; N600-L626 HydrophobicContact CB-CD2 4.32Å
627I94.8Very high85.7Confident11 Ų1148.1 Ų48.16%0.05626%0.26CS..BIsolated β-bridgetrans-103.5147.5-178.359.5172000111.2I454 P456 L459 F480 N556 D557 A625I454-I627 CarbonylContact O-C 3.58Å; I454-I627 WeakPolarHBondContact O-CA 3.44Å; P456-I627 HydrophobicContact CB-CB 4.43Å; P456-I627 HydrophobicContact CB-CD1 4.32Å; P456-I627 HydrophobicContact CB-CG2 4.46Å; L459-I627 HydrophobicContact CD2-CG2 3.59Å; F480-I627 HydrophobicContact CB-CD1 3.99Å; F480-I627 HydrophobicContact CD2-CD1 3.57Å; F480-I627 HydrophobicContact CE2-CD1 4.28Å; F480-I627 HydrophobicContact CE2-CG2 4.3Å; F480-I627 HydrophobicContact CG-CD1 3.92Å; N556-I627 WeakPolarHBondContact O-CG1 3.47Å; N556-I627 PolarHBondContact O-N 2.84Å; D557-I627 HydrophobicContact CB-CD1 4.12Å; D557-I627 HydrophobicContact CB-CG1 3.85Å; A625-I627 PolarHBondContact O-N 3.23Å
628G90.8Very high84.4Confident3 Ų345.4 Ų45.43%0.03125%0.251CS..PPolyproline II helixtrans-94.8162.5176.600000112.2T450 I454 P456T450-G628 VanDerWaalsContact OG1-CA 3.25Å; T450-G628 WeakPolarHBondContact OG1-CA 3.33Å; I454-G628 PolarHBondContact O-N 3.33Å; P456-G628 WeakPolarHBondContact CD-O 3.46Å
629R85.8Confident82.5Confident105 Ų10550 Ų5040%0.39627%0.267SS..PPolyproline II helixtrans-74.2141.4177.6-64179.2-178.4-178.1-2.7111.2L449 T450 H564L449-R629 HydrophobicContact CB-CB 4.17Å; L449-R629 HydrophobicContact CD1-CB 4.39Å; L449-R629 PolarHBondContact N-O 2.94Å; T450-R629 HydrophobicContact CG2-CB 4.25Å; T450-R629 HydrophobicContact CG2-CG 4.05Å; T450-R629 PolarHBondContact OG1-N 3.17Å; H564-R629 PolarHBondContact CE1-NH1 3.37Å; H564-R629 PolarHBondContact CE1-NH2 3.35Å; H564-R629 PolarHBondContact NE2-NH2 3.4Å; H564-R629 VanDerWaalsContact NE2-NH2 3.15Å
630T84.1Confident82Confident9 Ų947.1 Ų47.16%0.05526%0.26CS..  trans-141.7158.8175.167.10000111.2T448 P456 R565 F632T448-T630 HydrophobicContact CG2-CG2 4.4Å; P456-T630 HydrophobicContact CG-CG2 3.98Å; R565-T630 PolarHBondContact NH2-O 3.24Å; R565-T630 VanDerWaalsContact NH2-O 3.14Å; T630-F632 PolarHBondContact O-N 2.99Å
631N81.7Confident81.3Confident100 Ų10049.4 Ų49.454%0.53527%0.273SS..SBendtrans-84.36.9177.8-62.60.8000113L449 R633 D634L449-N631 WeakPolarHBondContact CD1-OD1 3.45Å; N631-R633 PolarHBondContact O-N 2.91Å; N631-R633 VanDerWaalsContact O-N 3.15Å; N631-D634 WeakPolarHBondContact CA-OD2 3.31Å; N631-D634 WeakPolarHBondContact CB-OD2 3.41Å; N631-D634 WeakPolarHBondContact O-CB 3.02Å; N631-D634 PolarHBondContact O-N 3.2Å; N631-D634 VanDerWaalsContact O-N 3.11Å; N631-D634 PolarHBondContact OD1-OD2 3.23Å
632F81.3Confident80.5Confident44 Ų4451.8 Ų51.819%0.19329%0.286CS..THydrogen-bonded Turntrans-57.7-33.8-172.4-179.6-102000113.1I440 L443 V457 T483 Y486 T630I440-F632 HydrophobicContact CG1-CE2 3.91Å; I440-F632 HydrophobicContact CG1-CZ 4.01Å; L443-F632 HydrophobicContact CB-CD2 4.21Å; L443-F632 HydrophobicContact CD1-CD2 3.54Å; L443-F632 HydrophobicContact CD1-CE2 3.86Å; L443-F632 HydrophobicContact CG-CD2 4.46Å; V457-F632 HydrophobicContact CG2-CB 4.16Å; V457-F632 HydrophobicContact CG2-CD1 4.16Å; V457-F632 HydrophobicContact CG2-CD2 3.91Å; V457-F632 HydrophobicContact CG2-CE2 4.41Å; V457-F632 HydrophobicContact CG2-CG 3.8Å; T483-F632 HydrophobicContact CG2-CD1 3.69Å; T483-F632 HydrophobicContact CG2-CE1 3.85Å; Y486-F632 HydrophobicContact CD2-CE1 4.45Å; Y486-F632 HydrophobicContact CG-CE1 4.44Å; T630-F632 PolarHBondContact O-N 2.99Å
633R81.1Confident79.5Confident38 Ų3854.7 Ų54.714%0.14330%0.302CS..THydrogen-bonded Turntrans-114.123.2178.2-51.3-168.850-167.6-9.4113.9G478 D479 T483 N631 G635 S636G478-R633 PolarHBondContact O-NH1 3.39Å; D479-R633 WeakPolarHBondContact O-CD 3.33Å; D479-R633 PolarHBondContact O-NH1 3.1Å; D479-R633 WeakPolarHBondContact OD1-CD 3.44Å; D479-R633 IonicContact OD1-CZ 3.56Å; D479-R633 IonicContact OD1-NE 2.64Å; D479-R633 IonicContact OD1-NH1 3.61Å; T483-R633 WeakPolarHBondContact OG1-CD 3.21Å; N631-R633 PolarHBondContact O-N 2.91Å; N631-R633 VanDerWaalsContact O-N 3.15Å; R633-G635 PolarHBondContact O-N 3.05Å; R633-S636 WeakPolarHBondContact CB-OG 3.41Å; R633-S636 PolarHBondContact NH2-OG 3.46Å; R633-S636 WeakPolarHBondContact O-CB 3.37Å; R633-S636 PolarHBondContact O-N 3.13Å; R633-S636 PolarHBondContact O-OG 3.23Å
634D73.6Confident78.3Confident93 Ų9358.1 Ų58.150%0.49732%0.321SS..THydrogen-bonded Turntrans-59.8136.8173.5-75.8-4.6000110.3N631 S636N631-D634 WeakPolarHBondContact CA-OD2 3.31Å; N631-D634 WeakPolarHBondContact CB-OD2 3.41Å; N631-D634 WeakPolarHBondContact O-CB 3.02Å; N631-D634 PolarHBondContact O-N 3.2Å; N631-D634 VanDerWaalsContact O-N 3.11Å; N631-D634 PolarHBondContact OD1-OD2 3.23Å; D634-S636 VanDerWaalsContact C-N 3.29Å; D634-S636 PolarHBondContact O-N 3.35Å
635G66.3Low77Confident76 Ų7661 Ų6178%0.78434%0.337SS*.THydrogen-bonded Turntrans81.5-3-173.200000115.1R633 I637R633-G635 PolarHBondContact O-N 3.05Å; G635-I637 PolarHBondContact O-N 3.02Å
636S64.8Low75.6Confident39 Ų3965.4 Ų65.427%0.27336%0.361SS..  trans-75.295.9167.470.70000110.1R633 D634R633-S636 WeakPolarHBondContact CB-OG 3.41Å; R633-S636 PolarHBondContact NH2-OG 3.46Å; R633-S636 WeakPolarHBondContact O-CB 3.37Å; R633-S636 PolarHBondContact O-N 3.13Å; R633-S636 PolarHBondContact O-OG 3.23Å; D634-S636 VanDerWaalsContact C-N 3.29Å; D634-S636 PolarHBondContact O-N 3.35Å
637I56.1Low74Confident122 Ų12267 Ų6763%0.62637%0.371SS*.  trans-76134.4179.6-63172.8000109G635 I639G635-I637 PolarHBondContact O-N 3.02Å; I637-I639 HydrophobicContact CG2-CB 4.25Å; I637-I639 HydrophobicContact CG2-CD1 3.37Å; I637-I639 HydrophobicContact CG2-CG1 3.47Å; I637-I639 VanDerWaalsContact CG2-CG1 3.47Å
638S55.8Low72.3Confident27 Ų2771.7 Ų71.719%0.18940%0.397CS..  trans-115.591.7174.9-56.70000108.4Q562Q562-S638 WeakPolarHBondContact CG-OG 3.43Å; Q562-S638 PolarHBondContact NE2-OG 3.03Å
639I46.3Very low70.6Confident204 Ų20477.9 Ų77.9100%1.04643%0.431SS*.  trans-129.30174.7-60168.8000107.7I637I637-I639 HydrophobicContact CG2-CB 4.25Å; I637-I639 HydrophobicContact CG2-CD1 3.37Å; I637-I639 HydrophobicContact CG2-CG1 3.47Å; I637-I639 VanDerWaalsContact CG2-CG1 3.47Å

Retrieved 639 of 639 residues in 656.3 ms (Link to these results)

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