A0A096NVQ7_PAPAN Loading...

NADP-retinol dehydrogenase

AlphaFold DB (A0A2K5P068), UniProt , Accession A0A096NVQ7, Species PAPAN (Papio anubis, Olive baboon), Gene RDH11, Length 318 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
1M64.9Low73Confident211 Ų211125.5 Ų125.5100%1.03965%0.652SS**  0-50.20-89.1-158.2-62.800112.9E3 L4 L5M1-E3 PolarHBondContact O-N 3.11Å; M1-L4 PolarHBondContact O-N 2.68Å; M1-L5 PolarHBondContact O-N 3.12Å
2V72.3Confident73.4Confident111 Ų111121.7 Ų121.767%0.67363%0.632SS**Hα-helixtrans-62.3-41.9-177.7-179.80000113.1L5 L6V2-L5 PolarHBondContact O-N 3.21Å; V2-L6 HydrophobicContact CG1-CD1 4.03Å; V2-L6 PolarHBondContact O-N 3.13Å
3E72.4Confident73.5Confident160 Ų160119.8 Ų119.875%0.74862%0.622SS**Hα-helixtrans-65.6-39.5178.4-70.2176154.800113.3M1 L5 L6 L7M1-E3 PolarHBondContact O-N 3.11Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.29Å; E3-L6 PolarHBondContact O-N 2.88Å; E3-L7 WeakPolarHBondContact O-CB 3.47Å; E3-L7 PolarHBondContact O-N 3.03Å
4L76.8Confident73.6Confident130 Ų130116.6 Ų116.668%0.68161%0.613SS**Hα-helixtrans-66.6-36.8177.9-151.883.7000111.1M1 L8M1-L4 PolarHBondContact O-N 2.68Å; L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 PolarHBondContact O-N 3.01Å
5L73.8Confident73.8Confident116 Ų116117.1 Ų117.161%0.60761%0.608SS**Hα-helixtrans-68.1-40.6176.7-150.492.7000111.7M1 V2 E3 L8 L9M1-L5 PolarHBondContact O-N 3.12Å; V2-L5 PolarHBondContact O-N 3.21Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.29Å; L5-L8 PolarHBondContact O-N 3.37Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.27Å
6L74.4Confident74Confident100 Ų100116.3 Ų116.352%0.52460%0.604SS.*Hα-helixtrans-64.4-42.8175.1-85.3158.1000112V2 E3 L9 L10V2-L6 HydrophobicContact CG1-CD1 4.03Å; V2-L6 PolarHBondContact O-N 3.13Å; E3-L6 PolarHBondContact O-N 2.88Å; L6-L9 PolarHBondContact O-N 3.27Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 WeakPolarHBondContact O-CD1 3.18Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.38Å
7L73.8Confident73.7Confident104 Ų104114.2 Ų114.255%0.54559%0.594SS.*Hα-helixtrans-62.9-42.2173.9-102.6142.2000112E3 L10 L11E3-L7 WeakPolarHBondContact O-CB 3.47Å; E3-L7 PolarHBondContact O-N 3.03Å; L7-L10 PolarHBondContact O-N 3.44Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 2.71Å; L7-L11 VanDerWaalsContact O-N 3.07Å
8L74Confident73.7Confident99 Ų99117.1 Ų117.152%0.51860%0.597SS.*Hα-helixtrans-64-42.5175.7-132.394.8000111.5L4 L5 L11 L12L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 PolarHBondContact O-N 3.01Å; L5-L8 PolarHBondContact O-N 3.37Å; L8-L11 PolarHBondContact O-N 3.27Å; L8-L12 HydrophobicContact CD2-CD1 3.69Å; L8-L12 HydrophobicContact CG-CD1 4.05Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.24Å; L8-L12 PolarHBondContact O-N 3.4Å
9L71.3Confident73.8Confident99 Ų99116.7 Ų116.752%0.51859%0.594SS.*Hα-helixtrans-63.1-41.9175.6-108.3142.3000112L5 L6 L11 L12 L13L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.27Å; L6-L9 PolarHBondContact O-N 3.27Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.24Å; L9-L12 PolarHBondContact O-N 3.26Å; L9-L13 WeakPolarHBondContact O-CB 3.39Å; L9-L13 PolarHBondContact O-N 3.02Å
10L74.6Confident73.8Confident127 Ų127112.4 Ų112.467%0.66558%0.577SS**Hα-helixtrans-64.4-30.1176.2-81.2161.1000113L6 L7 P14L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 WeakPolarHBondContact O-CD1 3.18Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.38Å; L7-L10 PolarHBondContact O-N 3.44Å; L10-P14 WeakPolarHBondContact O-CD 3.46Å; L10-P14 VanDerWaalsContact O-CG 3.25Å; L10-P14 WeakPolarHBondContact O-CG 3.37Å
11L74.3Confident73.4Confident124 Ų124107.2 Ų107.265%0.64955%0.551SS**Hα-helixtrans-86.4-35.6177.1-70.6168000112.9L7 L8 L9L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 2.71Å; L7-L11 VanDerWaalsContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 3.27Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.24Å
12L77.9Confident73.4Confident79 Ų79100.7 Ų100.741%0.41452%0.524SS..Hα-helixtrans-82.4-33.1-178.1-72170.1000112.8L8 L9 F15 L16L8-L12 HydrophobicContact CD2-CD1 3.69Å; L8-L12 HydrophobicContact CG-CD1 4.05Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.24Å; L8-L12 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 3.26Å; L12-F15 PolarHBondContact O-N 2.75Å; L12-L16 HydrophobicContact CB-CD1 4.35Å; L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.29Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 2.99Å
13L75.1Confident73Confident97 Ų97102.1 Ų102.151%0.50852%0.524SS..Hα-helixtrans-61.1-46-179-17183.7000112.7L9 F15 L16 L17L9-L13 WeakPolarHBondContact O-CB 3.39Å; L9-L13 PolarHBondContact O-N 3.02Å; L13-F15 VanDerWaalsContact C-N 3.32Å; L13-F15 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 2.84Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.12Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.13Å
14P75Confident72.6Confident76 Ų7697 Ų9749%0.49450%0.5SS..Hα-helixtrans-63.7-37.5175.2-19.231.8000112.4L10 Y18L10-P14 WeakPolarHBondContact O-CD 3.46Å; L10-P14 VanDerWaalsContact O-CG 3.25Å; L10-P14 WeakPolarHBondContact O-CG 3.37Å; P14-Y18 VanDerWaalsContact O-CB 3.23Å; P14-Y18 WeakPolarHBondContact O-CB 3.29Å; P14-Y18 PolarHBondContact O-N 2.69Å
15F76Confident71.8Confident123 Ų12395.1 Ų95.154%0.53948%0.484SS..Hα-helixtrans-68.8-44.5177.7179.6-100.4000112.1L12 L13 Y18 M19L12-F15 PolarHBondContact O-N 2.75Å; L13-F15 VanDerWaalsContact C-N 3.32Å; L13-F15 PolarHBondContact O-N 3.49Å; F15-Y18 WeakPolarHBondContact O-CB 3.47Å; F15-Y18 PolarHBondContact O-N 2.9Å; F15-M19 HydrophobicContact CD1-CG 4.32Å; F15-M19 HydrophobicContact CE1-CG 3.96Å; F15-M19 HydrophobicContact CE2-CG 4.26Å; F15-M19 HydrophobicContact CZ-CG 3.93Å; F15-M19 HydrophobicContact CZ-SD 4.3Å; F15-M19 WeakPolarHBondContact O-CB 3.28Å; F15-M19 VanDerWaalsContact O-CG 3.27Å; F15-M19 WeakPolarHBondContact O-CG 3.36Å; F15-M19 PolarHBondContact O-N 2.98Å
16L77.1Confident71.2Confident105 Ų10597.4 Ų97.455%0.5549%0.489SS..Hα-helixtrans-64.6-41.7174.6-74.4167.9000111.4L12 L13 M19 A20L12-L16 HydrophobicContact CB-CD1 4.35Å; L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.29Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 2.99Å; L13-L16 PolarHBondContact O-N 2.84Å; L16-M19 PolarHBondContact O-N 3.16Å; L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.23Å
17L68.8Low70.5Confident81 Ų8198.9 Ų98.942%0.42450%0.495SS..Hα-helixtrans-60.7-47.6171.9-77.4169.6000110.5L13 M19 A20 A21 F256L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.12Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.34Å; L13-L17 PolarHBondContact O-N 3.13Å; L17-M19 VanDerWaalsContact C-N 3.34Å; L17-M19 PolarHBondContact O-N 3.38Å; L17-A20 PolarHBondContact O-N 3.05Å; L17-A21 WeakPolarHBondContact O-CA 3.44Å; L17-A21 WeakPolarHBondContact O-CB 3.43Å; L17-A21 PolarHBondContact O-N 3.42Å; L17-F256 HydrophobicContact CD2-CZ 4.45Å
18Y74.7Confident69.8Low166 Ų16697.7 Ų97.765%0.65149%0.489SS*.Hα-helixtrans-58.3-43.4176.8178.2-97.4000112.5P14 F15 P22P14-Y18 VanDerWaalsContact O-CB 3.23Å; P14-Y18 WeakPolarHBondContact O-CB 3.29Å; P14-Y18 PolarHBondContact O-N 2.69Å; F15-Y18 WeakPolarHBondContact O-CB 3.47Å; F15-Y18 PolarHBondContact O-N 2.9Å; Y18-P22 WeakPolarHBondContact O-CD 3.26Å
19M75.7Confident69.1Low110 Ų11094.3 Ų94.354%0.54247%0.474SS..Hα-helixtrans-70.8-37.3178.4-70.8-61.7-6500113.1F15 L16 L17 P22F15-M19 HydrophobicContact CD1-CG 4.32Å; F15-M19 HydrophobicContact CE1-CG 3.96Å; F15-M19 HydrophobicContact CE2-CG 4.26Å; F15-M19 HydrophobicContact CZ-CG 3.93Å; F15-M19 HydrophobicContact CZ-SD 4.3Å; F15-M19 WeakPolarHBondContact O-CB 3.28Å; F15-M19 VanDerWaalsContact O-CG 3.27Å; F15-M19 WeakPolarHBondContact O-CG 3.36Å; F15-M19 PolarHBondContact O-N 2.98Å; L16-M19 PolarHBondContact O-N 3.16Å; L17-M19 VanDerWaalsContact C-N 3.34Å; L17-M19 PolarHBondContact O-N 3.38Å; M19-P22 WeakPolarHBondContact O-CD 3.16Å
20A73.3Confident68.8Low30 Ų3092.1 Ų92.125%0.24847%0.467CS..Hα-helixtrans-80.5-20.7177.500000112.7L16 L17 P22 Q23 I24L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.23Å; L17-A20 PolarHBondContact O-N 3.05Å; A20-P22 VanDerWaalsContact C-CD 3.48Å; A20-Q23 PolarHBondContact O-N 2.92Å; A20-I24 HydrophobicContact CB-CD1 3.78Å; A20-I24 HydrophobicContact CB-CG1 4.36Å; A20-I24 WeakPolarHBondContact O-CG1 3.34Å; A20-I24 PolarHBondContact O-N 2.67Å
21A66.1Low69Low4 Ų486.9 Ų86.93%0.03344%0.444CS..Hα-helixtrans-57.9-39.2-172.100000114L17 Q23 I24 R25 F255 F256L17-A21 WeakPolarHBondContact O-CA 3.44Å; L17-A21 WeakPolarHBondContact O-CB 3.43Å; L17-A21 PolarHBondContact O-N 3.42Å; A21-Q23 VanDerWaalsContact C-N 3.32Å; A21-Q23 PolarHBondContact O-N 3.44Å; A21-I24 PolarHBondContact O-N 2.87Å; A21-R25 WeakPolarHBondContact O-CB 3.49Å; A21-R25 PolarHBondContact O-N 3.17Å; A21-F255 VanDerWaalsContact C-CE1 3.45Å; A21-F255 HydrophobicContact CB-CD1 3.32Å; A21-F255 HydrophobicContact CB-CE1 3.22Å; A21-F255 HydrophobicContact CB-CG 4.25Å; A21-F255 HydrophobicContact CB-CZ 4.06Å; A21-F256 HydrophobicContact CB-CE1 3.92Å; A21-F256 HydrophobicContact CB-CZ 3.92Å
22P64.1Low69.8Low73 Ų7385.5 Ų85.547%0.47444%0.44SS..Hα-helixtrans-62.9-37.3175.6-2232.7000113Y18 M19 A20 K26 F255Y18-P22 WeakPolarHBondContact O-CD 3.26Å; M19-P22 WeakPolarHBondContact O-CD 3.16Å; A20-P22 VanDerWaalsContact C-CD 3.48Å; P22-K26 WeakPolarHBondContact O-CB 3.43Å; P22-K26 PolarHBondContact O-N 3.25Å; P22-F255 HydrophobicContact CG-CZ 4.44Å
23Q64.1Low70.6Confident142 Ų14282.3 Ų82.366%0.66442%0.424SS*.Hα-helixtrans-74.6-43179.6-66.5160.7-20.700110.8A20 A21 R25 K26 M27A20-Q23 PolarHBondContact O-N 2.92Å; A21-Q23 VanDerWaalsContact C-N 3.32Å; A21-Q23 PolarHBondContact O-N 3.44Å; Q23-R25 VanDerWaalsContact C-N 3.3Å; Q23-R25 PolarHBondContact O-N 3.19Å; Q23-K26 PolarHBondContact O-N 3.42Å; Q23-M27 WeakPolarHBondContact O-CB 3.43Å; Q23-M27 PolarHBondContact O-N 3.17Å
24I62.9Low71.5Confident51 Ų5183.3 Ų83.326%0.26244%0.435SS..Hα-helixtrans-61.6-42.2172.2-63.1166.9000109.6A20 A21 K26 M27 L28 F256A20-I24 HydrophobicContact CB-CD1 3.78Å; A20-I24 HydrophobicContact CB-CG1 4.36Å; A20-I24 WeakPolarHBondContact O-CG1 3.34Å; A20-I24 PolarHBondContact O-N 2.67Å; A21-I24 PolarHBondContact O-N 2.87Å; I24-K26 PolarHBondContact O-N 3.36Å; I24-M27 PolarHBondContact O-N 3.02Å; I24-L28 HydrophobicContact CG2-CD1 3.63Å; I24-L28 HydrophobicContact CG2-CG 4.05Å; I24-L28 VanDerWaalsContact O-CB 3.31Å; I24-L28 WeakPolarHBondContact O-CB 3.32Å; I24-L28 VanDerWaalsContact O-CG 3.24Å; I24-L28 WeakPolarHBondContact O-CG 3.41Å; I24-L28 PolarHBondContact O-N 3.15Å; I24-F256 HydrophobicContact CB-CD1 4.15Å; I24-F256 HydrophobicContact CB-CE1 3.87Å; I24-F256 HydrophobicContact CD1-CE1 3.89Å; I24-F256 HydrophobicContact CG2-CD1 3.53Å; I24-F256 HydrophobicContact CG2-CE1 3.64Å
25R61.7Low72.4Confident91 Ų9180.5 Ų80.534%0.34342%0.417SS..Hα-helixtrans-61.5-43.9175.7-175.5176.1-178.4177.10111.5A21 Q23 M27 L28 S29 F255A21-R25 WeakPolarHBondContact O-CB 3.49Å; A21-R25 PolarHBondContact O-N 3.17Å; Q23-R25 VanDerWaalsContact C-N 3.3Å; Q23-R25 PolarHBondContact O-N 3.19Å; R25-M27 VanDerWaalsContact C-N 3.31Å; R25-M27 PolarHBondContact O-N 3.02Å; R25-L28 CarbonylContact O-C 3.59Å; R25-L28 PolarHBondContact O-N 3.14Å; R25-S29 WeakPolarHBondContact O-CB 3.38Å; R25-S29 PolarHBondContact O-N 3.16Å; R25-S29 PolarHBondContact O-OG 3.2Å; R25-F255 HydrophobicContact CB-CE1 4.45Å
26K60Low73.4Confident164 Ų16480.4 Ų80.471%0.71343%0.426SS*.Hα-helixtrans-61.8-39.3175.3-172.9178.9179.7-179.10112P22 Q23 I24 S29 S30P22-K26 WeakPolarHBondContact O-CB 3.43Å; P22-K26 PolarHBondContact O-N 3.25Å; Q23-K26 PolarHBondContact O-N 3.42Å; I24-K26 PolarHBondContact O-N 3.36Å; K26-S29 WeakPolarHBondContact CA-OG 3.34Å; K26-S29 PolarHBondContact O-OG 2.85Å; K26-S30 PolarHBondContact O-N 3.12Å
27M60.8Low74.3Confident132 Ų13276.9 Ų76.965%0.6541%0.409SS*.Hα-helixtrans-70.3-41.7177.4-167.2174.970.800111.9Q23 I24 R25 S30Q23-M27 WeakPolarHBondContact O-CB 3.43Å; Q23-M27 PolarHBondContact O-N 3.17Å; I24-M27 PolarHBondContact O-N 3.02Å; R25-M27 VanDerWaalsContact C-N 3.31Å; R25-M27 PolarHBondContact O-N 3.02Å; M27-S30 WeakPolarHBondContact O-CB 3.48Å; M27-S30 PolarHBondContact O-N 2.96Å; M27-S30 PolarHBondContact O-OG 2.94Å
28L58Low75.7Confident78 Ų7878.7 Ų78.741%0.40842%0.415SS..Hα-helixtrans-75.7-21.9176.8-68.6177000113.1I24 R25 S30 F256 K258I24-L28 HydrophobicContact CG2-CD1 3.63Å; I24-L28 HydrophobicContact CG2-CG 4.05Å; I24-L28 VanDerWaalsContact O-CB 3.31Å; I24-L28 WeakPolarHBondContact O-CB 3.32Å; I24-L28 VanDerWaalsContact O-CG 3.24Å; I24-L28 WeakPolarHBondContact O-CG 3.41Å; I24-L28 PolarHBondContact O-N 3.15Å; R25-L28 CarbonylContact O-C 3.59Å; R25-L28 PolarHBondContact O-N 3.14Å; L28-S30 VanDerWaalsContact C-N 3.29Å; L28-F256 HydrophobicContact CD1-CB 4.09Å; L28-F256 HydrophobicContact CD1-CD1 4.28Å; L28-K258 WeakPolarHBondContact O-CE 3.1Å
29S60Low76.8Confident28 Ų2871.3 Ų71.320%0.19639%0.387CS..THydrogen-bonded Turntrans-93.822.5172.474.70000112.7R25 K26 Q262R25-S29 WeakPolarHBondContact O-CB 3.38Å; R25-S29 PolarHBondContact O-N 3.16Å; R25-S29 PolarHBondContact O-OG 3.2Å; K26-S29 WeakPolarHBondContact CA-OG 3.34Å; K26-S29 PolarHBondContact O-OG 2.85Å; S29-Q262 VanDerWaalsContact CB-NE2 3.28Å
30S65.1Low77.9Confident53 Ų5370.8 Ų70.837%0.37139%0.392SS..  trans-62.6149.6173.3490000110K26 M27 L28 D286K26-S30 PolarHBondContact O-N 3.12Å; M27-S30 WeakPolarHBondContact O-CB 3.48Å; M27-S30 PolarHBondContact O-N 2.96Å; M27-S30 PolarHBondContact O-OG 2.94Å; L28-S30 VanDerWaalsContact C-N 3.29Å; S30-D286 WeakPolarHBondContact O-CB 3.5Å; S30-D286 VanDerWaalsContact O-CG 3.26Å
31G79.2Confident78.9Confident18 Ų1872.5 Ų72.519%0.18641%0.413CS..  trans89.191.2-178.100000114.7Q265 D286G31-Q265 VanDerWaalsContact O-CB 3.26Å; G31-Q265 WeakPolarHBondContact O-CB 3.46Å; G31-D286 VanDerWaalsContact CA-C 3.47Å; G31-D286 WeakPolarHBondContact CA-O 3.26Å
32V90.2Very high80.5Confident95 Ų9575.8 Ų75.858%0.57643%0.426SS*.  trans-110.9137.8170.9177.80000108.2T34 C287V32-T34 PolarHBondContact O-N 2.68Å; V32-C287 VanDerWaalsContact C-SG 3.55Å
33C93.9Very high82.1Confident12 Ų1272.7 Ų72.78%0.08141%0.406CS..  trans-70.9114.8171.6176.70000108.8Q265 L268 H269C33-Q265 WeakPolarHBondContact CB-O 3.28Å; C33-L268 HydrophobicContact CB-CB 3.98Å; C33-H269 HydrophobicContact CB-CB 4.17Å
34T94.1Very high83.8Confident118 Ų11865.9 Ų65.972%0.72437%0.374SS*.  trans-95.2-2.2179.753.50000113.4V32 T36V32-T34 PolarHBondContact O-N 2.68Å; T34-T36 PolarHBondContact O-N 3.5Å
35S95.4Very high85.5Confident17 Ų1763.5 Ų63.512%0.11936%0.362CS..  trans-59.1132.8177.8175.80000110.5V37 R64 L272S35-V37 WeakPolarHBondContact OG-CB 3.45Å; S35-V37 WeakPolarHBondContact OG-CG2 3.08Å; S35-V37 PolarHBondContact OG-N 3.34Å; S35-R64 VanDerWaalsContact O-CZ 3.26Å; S35-R64 PolarHBondContact O-NH1 3.02Å; S35-R64 PolarHBondContact O-NH2 2.9Å; S35-L272 PolarHBondContact OG-O 3.48Å
36T95.6Very high87.3Confident120 Ų12059.1 Ų59.174%0.73635%0.345SS*.  trans-100.72.6176.9540000112.8T34 Q38T34-T36 PolarHBondContact O-N 3.5Å; T36-Q38 PolarHBondContact O-N 2.75Å; T36-Q38 PolarHBondContact O-NE2 2.79Å; T36-Q38 VanDerWaalsContact O-NE2 3.11Å
37V97.3Very high89.1Confident31 Ų3151.3 Ų51.319%0.18831%0.311CS..  trans-53.5130.7-177.5171.40000111.4S35 L39 R64 E274S35-V37 WeakPolarHBondContact OG-CB 3.45Å; S35-V37 WeakPolarHBondContact OG-CG2 3.08Å; S35-V37 PolarHBondContact OG-N 3.34Å; V37-L39 HydrophobicContact CG1-CD2 4.23Å; V37-R64 WeakPolarHBondContact O-CD 3.42Å; V37-R64 PolarHBondContact O-NH1 3.49Å; V37-E274 HydrophobicContact CG2-CG 3.93Å
38Q97.9Very high90.7Very high119 Ų11945.9 Ų45.956%0.55629%0.289SS*.  trans-93.8155.8170.3-58-57.9-53.200110T36 R64T36-Q38 PolarHBondContact O-N 2.75Å; T36-Q38 PolarHBondContact O-NE2 2.79Å; T36-Q38 VanDerWaalsContact O-NE2 3.11Å; Q38-R64 PolarHBondContact OE1-O 2.83Å
39L98.2Very high92.4Very high11 Ų1142.1 Ų42.16%0.05827%0.269CS..  trans-123.134.5-172.3-64.7-179.5000114.5V37 G41 K42 L61 R64 G65 A66 I123 L272V37-L39 HydrophobicContact CG1-CD2 4.23Å; L39-G41 PolarHBondContact O-N 3.4Å; L39-K42 HydrophobicContact CB-CB 4.06Å; L39-K42 HydrophobicContact CB-CG 4.25Å; L39-K42 HydrophobicContact CD2-CB 4.3Å; L39-K42 HydrophobicContact CD2-CG 4.06Å; L39-K42 WeakPolarHBondContact O-CB 3.38Å; L39-K42 PolarHBondContact O-N 3.41Å; L39-L61 HydrophobicContact CD1-CB 4.43Å; L39-L61 HydrophobicContact CD1-CD2 3.54Å; L39-R64 HydrophobicContact CB-CB 4.31Å; L39-R64 HydrophobicContact CD1-CB 4.31Å; L39-R64 HydrophobicContact CG-CB 4.18Å; L39-R64 PolarHBondContact N-O 2.79Å; L39-G65 CarbonylContact O-C 3.53Å; L39-A66 HydrophobicContact CB-CB 3.77Å; L39-A66 HydrophobicContact CD1-CB 3.83Å; L39-A66 WeakPolarHBondContact O-CA 3.39Å; L39-I123 HydrophobicContact CD1-CD1 4.29Å; L39-I123 HydrophobicContact CD2-CD1 4.37Å; L39-L272 HydrophobicContact CD1-CD2 3.75Å; L39-L272 HydrophobicContact CD2-CD2 4.05Å; L39-L272 HydrophobicContact CG-CD2 4.12Å
40P97Very high93.8Very high100 Ų10042 Ų4265%0.64927%0.266SS*.THydrogen-bonded Turntrans-59.1130.6179.428.3-35000110.4K42P40-K42 PolarHBondContact O-N 2.93Å
41G95.7Very high94.9Very high66 Ų6641.1 Ų41.168%0.6826%0.259SS*.THydrogen-bonded Turntrans721.3-179.100000115.2L39L39-G41 PolarHBondContact O-N 3.4Å
42K98.6Very high95.5Very high72 Ų7241.1 Ų41.131%0.31326%0.258SS..  trans-83.2137.2173.9-59.5-66.6176.7-177.80110.2L39 P40 A66 R67 H122L39-K42 HydrophobicContact CB-CB 4.06Å; L39-K42 HydrophobicContact CB-CG 4.25Å; L39-K42 HydrophobicContact CD2-CB 4.3Å; L39-K42 HydrophobicContact CD2-CG 4.06Å; L39-K42 WeakPolarHBondContact O-CB 3.38Å; L39-K42 PolarHBondContact O-N 3.41Å; P40-K42 PolarHBondContact O-N 2.93Å; K42-A66 WeakPolarHBondContact O-CA 3.33Å; K42-R67 PolarHBondContact O-N 3.44Å; K42-H122 HydrophobicContact CB-CB 4.3Å; K42-H122 HydrophobicContact CD-CB 3.97Å; K42-H122 WeakPolarHBondContact CD-CD2 3.29Å; K42-H122 VanDerWaalsContact CD-CG 3.46Å; K42-H122 WeakPolarHBondContact CD-NE2 3.37Å; K42-H122 PolarHBondContact NZ-CD2 3.47Å; K42-H122 VanDerWaalsContact NZ-CD2 3.26Å; K42-H122 PolarHBondContact NZ-NE2 2.92Å
43V98.9Very high95.7Very high8 Ų837.4 Ų37.45%0.04824%0.235CC..EExtended strand (participates in β ladder)trans-105.8128.3-178.9-177.30000108.8R67 Y69 F114 E118 H120 H122 I123V43-R67 WeakPolarHBondContact CA-O 3.21Å; V43-Y69 HydrophobicContact CG1-CD2 4.26Å; V43-Y69 HydrophobicContact CG1-CE2 4.25Å; V43-F114 HydrophobicContact CG1-CE2 4.07Å; V43-F114 HydrophobicContact CG1-CZ 3.91Å; V43-E118 HydrophobicContact CG1-CG 4.25Å; V43-H120 VanDerWaalsContact CB-O 3.29Å; V43-H120 WeakPolarHBondContact CB-O 3.49Å; V43-H120 WeakPolarHBondContact CG1-O 3.24Å; V43-H120 HydrophobicContact CG2-CB 4.43Å; V43-H122 PolarHBondContact N-ND1 2.74Å; V43-H122 VanDerWaalsContact N-ND1 3.17Å; V43-H122 PolarHBondContact O-N 3.5Å; V43-I123 PolarHBondContact O-N 3.16Å
44V98.9Very high95.8Very high0 Ų036.9 Ų36.90%023%0.232CC..EExtended strand (participates in β ladder)trans-132135.7-172.9-173.70000110.5V46 L61 A66 R67 V68 Y69 I123V44-V46 HydrophobicContact CG1-CG2 4.07Å; V44-L61 HydrophobicContact CG1-CD1 3.68Å; V44-A66 HydrophobicContact CG2-CB 3.86Å; V44-R67 PolarHBondContact N-O 3.44Å; V44-V68 WeakPolarHBondContact O-CA 3.3Å; V44-Y69 PolarHBondContact O-N 2.75Å; V44-I123 VanDerWaalsContact CA-O 3.32Å; V44-I123 WeakPolarHBondContact CA-O 3.21Å; V44-I123 HydrophobicContact CB-CB 4.24Å; V44-I123 HydrophobicContact CG1-CB 3.71Å; V44-I123 HydrophobicContact CG1-CG2 3.9Å; V44-I123 HydrophobicContact CG2-CB 3.9Å; V44-I123 HydrophobicContact CG2-CD1 4.04Å; V44-I123 HydrophobicContact CG2-CG1 4.22Å
45V98.9Very high96Very high0 Ų032.9 Ų32.90%020%0.204CC..EExtended strand (participates in β ladder)trans-110.9129.7170.7173.80000109A71 F110 F114 L121 I123 L124 I125V45-A71 HydrophobicContact CG1-CB 4.1Å; V45-F110 HydrophobicContact CG1-CE1 4.22Å; V45-F110 HydrophobicContact CG1-CZ 3.79Å; V45-F110 HydrophobicContact CG2-CZ 4.4Å; V45-F114 HydrophobicContact CG2-CD2 4Å; V45-F114 HydrophobicContact CG2-CE2 3.55Å; V45-F114 HydrophobicContact CG2-CZ 3.94Å; V45-L121 HydrophobicContact CB-CD1 4.23Å; V45-L121 HydrophobicContact CG2-CD1 3.76Å; V45-I123 PolarHBondContact N-O 3.41Å; V45-L124 HydrophobicContact CB-CD1 3.88Å; V45-L124 HydrophobicContact CG1-CD1 3.82Å; V45-I125 PolarHBondContact O-N 2.83Å
46V98.9Very high96.1Very high0 Ų034 Ų340%021%0.208CC..EExtended strand (participates in β ladder)trans-123.4116174.4-1730000109.4V44 A49 A58 L61 V68 Y69 A71 I125 N127V44-V46 HydrophobicContact CG1-CG2 4.07Å; V46-A49 HydrophobicContact CB-CB 3.91Å; V46-A49 HydrophobicContact CG1-CB 3.79Å; V46-A58 HydrophobicContact CB-CB 4.44Å; V46-A58 HydrophobicContact CG2-CB 4.24Å; V46-L61 HydrophobicContact CG2-CD1 4.02Å; V46-V68 HydrophobicContact CG2-CG1 4.26Å; V46-Y69 PolarHBondContact N-O 3.43Å; V46-A71 PolarHBondContact O-N 2.89Å; V46-I125 HydrophobicContact CB-CB 4.4Å; V46-I125 HydrophobicContact CG1-CB 4.13Å; V46-I125 HydrophobicContact CG1-CG2 4.28Å; V46-I125 HydrophobicContact CG2-CB 4.15Å; V46-I125 HydrophobicContact CG2-CG1 4.03Å; V46-N127 HydrophobicContact CG1-CB 4.46Å
47T98.8Very high96.3Very high0 Ų028.3 Ų28.30%017%0.173CC..EExtended strand (participates in β ladder)trans-78139.6176.370.80000111A49 A71 L99 I125 N127 A128 H153 L156T47-A49 VanDerWaalsContact C-N 3.33Å; T47-A49 PolarHBondContact O-N 3.13Å; T47-A71 CarbonylContact C-O 3.53Å; T47-A71 WeakPolarHBondContact CA-O 3.47Å; T47-L99 HydrophobicContact CG2-CD2 3.7Å; T47-I125 PolarHBondContact N-O 3.21Å; T47-I125 PolarHBondContact OG1-O 2.85Å; T47-N127 WeakPolarHBondContact O-CB 3.38Å; T47-N127 PolarHBondContact O-ND2 3.33Å; T47-N127 PolarHBondContact OG1-N 3.16Å; T47-A128 PolarHBondContact O-N 3.44Å; T47-A128 WeakPolarHBondContact OG1-CB 3.47Å; T47-A128 PolarHBondContact OG1-N 3.17Å; T47-H153 PolarHBondContact OG1-NE2 3.34Å; T47-L156 HydrophobicContact CG2-CD2 3.51Å
48G94.8Very high96.3Very high17 Ų1726.9 Ų26.918%0.17516%0.164CC..THydrogen-bonded Turntrans66.134.117900000113.4N50 A71 N127G48-N50 VanDerWaalsContact C-N 3.27Å; G48-N50 PolarHBondContact O-N 3.04Å; G48-A71 PolarHBondContact N-O 2.97Å; G48-N127 PolarHBondContact O-ND2 3.1Å
49A93.7Very high96.4Very high0 Ų023.5 Ų23.50%015%0.147CC..THydrogen-bonded Turntrans-84.18.9-17400000115.1V46 T47 K55 A58 L70V46-A49 HydrophobicContact CB-CB 3.91Å; V46-A49 HydrophobicContact CG1-CB 3.79Å; T47-A49 VanDerWaalsContact C-N 3.33Å; T47-A49 PolarHBondContact O-N 3.13Å; A49-K55 VanDerWaalsContact O-CA 3.27Å; A49-K55 WeakPolarHBondContact O-CA 3.31Å; A49-K55 WeakPolarHBondContact O-CB 3.2Å; A49-A58 HydrophobicContact CB-CB 4.09Å; A49-L70 HydrophobicContact CB-CB 4.1Å; A49-L70 HydrophobicContact CB-CD2 3.6Å; A49-L70 HydrophobicContact CB-CG 4.38Å
50N88.3Confident96.4Very high25 Ų2525.3 Ų25.313%0.13416%0.156CC..THydrogen-bonded Turntrans-88.4-4.2179.666.5-30.4000113.6G48 C72 K77 V81G48-N50 VanDerWaalsContact C-N 3.27Å; G48-N50 PolarHBondContact O-N 3.04Å; N50-C72 HydrophobicContact CB-CB 4.02Å; N50-K77 HydrophobicContact CB-CG 4.33Å; N50-V81 WeakPolarHBondContact O-CG2 3.19Å
51T89.3Confident96.5Very high35 Ų3520.6 Ų20.622%0.21513%0.125CC..SBendtrans-152.4167.3173.864.60000112.1G54 K55 K77 E238T51-G54 PolarHBondContact O-N 2.7Å; T51-K55 PolarHBondContact O-N 3.41Å; T51-K55 VanDerWaalsContact O-N 3.14Å; T51-K77 HydrophobicContact CG2-CD 4.43Å; T51-K77 VanDerWaalsContact CG2-CE 3.4Å; T51-E238 HydrophobicContact CG2-CG 4.48Å
52G91.8Very high96.6Very high17 Ų1717.5 Ų17.518%0.1759%0.093CC..Hα-helixtrans53.9-138.8163.300000114.4G54 K55 E56G52-G54 VanDerWaalsContact C-N 3.28Å; G52-G54 PolarHBondContact O-N 3.35Å; G52-K55 PolarHBondContact O-N 2.96Å; G52-E56 PolarHBondContact O-N 2.75Å
53I93.6Very high96.6Very high18 Ų1819.5 Ų19.59%0.09210%0.103CC..Hα-helixtrans-58.7-40.5-175.3-61163.4000111.4K55 E56 T57 P232 V235 A264I53-K55 PolarHBondContact O-N 3.47Å; I53-E56 PolarHBondContact O-N 3.14Å; I53-T57 WeakPolarHBondContact O-CB 3.38Å; I53-T57 PolarHBondContact O-N 3.18Å; I53-T57 PolarHBondContact O-OG1 2.87Å; I53-P232 HydrophobicContact CD1-CB 3.67Å; I53-P232 HydrophobicContact CD1-CG 3.71Å; I53-V235 HydrophobicContact CD1-CB 3.95Å; I53-V235 HydrophobicContact CD1-CG1 3.98Å; I53-V235 HydrophobicContact CD1-CG2 3.95Å; I53-V235 HydrophobicContact CG1-CB 4.29Å; I53-V235 HydrophobicContact CG1-CG1 3.74Å; I53-V235 HydrophobicContact CG1-CG2 4.36Å; I53-A264 HydrophobicContact CG2-CB 4.28Å
54G96.4Very high96.6Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-63-43.1-179.800000112.2T51 G52 T57 A58 N127T51-G54 PolarHBondContact O-N 2.7Å; G52-G54 VanDerWaalsContact C-N 3.28Å; G52-G54 PolarHBondContact O-N 3.35Å; G54-T57 PolarHBondContact O-N 3.13Å; G54-A58 WeakPolarHBondContact O-CB 3.46Å; G54-A58 PolarHBondContact O-N 3.27Å; G54-N127 VanDerWaalsContact CA-ND2 3.28Å; G54-N127 WeakPolarHBondContact CA-ND2 3.39Å; G54-N127 PolarHBondContact N-OD1 3.29Å
55K97.7Very high96.5Very high35 Ų3521.9 Ų21.915%0.15212%0.122CC..Hα-helixtrans-60-49.8175.4172.5178.2166.4-179.60111.5A49 T51 G52 I53 T57 A58 K59 V81 E84A49-K55 VanDerWaalsContact O-CA 3.27Å; A49-K55 WeakPolarHBondContact O-CA 3.31Å; A49-K55 WeakPolarHBondContact O-CB 3.2Å; T51-K55 PolarHBondContact O-N 3.41Å; T51-K55 VanDerWaalsContact O-N 3.14Å; G52-K55 PolarHBondContact O-N 2.96Å; I53-K55 PolarHBondContact O-N 3.47Å; K55-T57 VanDerWaalsContact C-N 3.34Å; K55-T57 PolarHBondContact O-N 2.98Å; K55-A58 PolarHBondContact O-N 2.57Å; K55-K59 WeakPolarHBondContact O-CB 3.37Å; K55-K59 PolarHBondContact O-N 3.32Å; K55-V81 HydrophobicContact CB-CG1 4.41Å; K55-V81 HydrophobicContact CD-CG1 3.85Å; K55-V81 HydrophobicContact CD-CG2 4.21Å; K55-V81 HydrophobicContact CG-CG1 3.74Å; K55-E84 WeakPolarHBondContact CE-OE1 3.45Å; K55-E84 IonicContact NZ-OE1 2.76Å; K55-E84 PolarHBondContact NZ-OE1 2.88Å; K55-E84 IonicContact NZ-OE2 2.57Å; K55-E84 PolarHBondContact NZ-OE2 3.44Å
56E98.1Very high96.5Very high41 Ų4121.9 Ų21.919%0.19212%0.122CC..Hα-helixtrans-67.4-35.7-179.3-64.6-55.6136.200112.3G52 I53 K59 E60 P260 Q261 A264G52-E56 PolarHBondContact O-N 2.75Å; I53-E56 PolarHBondContact O-N 3.14Å; E56-K59 PolarHBondContact O-N 2.78Å; E56-E60 PolarHBondContact O-N 2.67Å; E56-P260 HydrophobicContact CG-CB 3.71Å; E56-Q261 HydrophobicContact CG-CB 4.29Å; E56-A264 HydrophobicContact CB-CB 4.09Å
57T98.5Very high96.5Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-61.8-48.8173-55.70000110.5I53 G54 K55 K59 E60 L61 I125 A264 L268I53-T57 WeakPolarHBondContact O-CB 3.38Å; I53-T57 PolarHBondContact O-N 3.18Å; I53-T57 PolarHBondContact O-OG1 2.87Å; G54-T57 PolarHBondContact O-N 3.13Å; K55-T57 VanDerWaalsContact C-N 3.34Å; K55-T57 PolarHBondContact O-N 2.98Å; T57-K59 PolarHBondContact O-N 2.9Å; T57-E60 PolarHBondContact O-N 2.87Å; T57-L61 HydrophobicContact CG2-CD1 3.9Å; T57-L61 WeakPolarHBondContact O-CD1 3.37Å; T57-L61 WeakPolarHBondContact O-CG 3.5Å; T57-L61 PolarHBondContact O-N 2.78Å; T57-L61 VanDerWaalsContact O-N 3.12Å; T57-I125 HydrophobicContact CG2-CG1 4.3Å; T57-I125 HydrophobicContact CG2-CG2 4.34Å; T57-A264 WeakPolarHBondContact OG1-CB 3.22Å; T57-L268 HydrophobicContact CG2-CD2 4.21Å; T57-L268 HydrophobicContact CG2-CG 4.49Å
58A98.7Very high96.5Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-63.4-40.1178.500000112.6V46 A49 G54 K55 L61 A62 V68 L70 I85V46-A58 HydrophobicContact CB-CB 4.44Å; V46-A58 HydrophobicContact CG2-CB 4.24Å; A49-A58 HydrophobicContact CB-CB 4.09Å; G54-A58 WeakPolarHBondContact O-CB 3.46Å; G54-A58 PolarHBondContact O-N 3.27Å; K55-A58 PolarHBondContact O-N 2.57Å; A58-L61 PolarHBondContact O-N 2.98Å; A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 3.31Å; A58-V68 HydrophobicContact CB-CG1 3.89Å; A58-L70 HydrophobicContact CB-CD2 3.39Å; A58-I85 HydrophobicContact CB-CD1 4.34Å
59K98.6Very high96.7Very high48 Ų4824.3 Ų24.321%0.20913%0.126CC..Hα-helixtrans-60.7-49.3177.1-179-178.5172.7-177.60111.9K55 E56 T57 L61 A62 Q63 I85 T89K55-K59 WeakPolarHBondContact O-CB 3.37Å; K55-K59 PolarHBondContact O-N 3.32Å; E56-K59 PolarHBondContact O-N 2.78Å; T57-K59 PolarHBondContact O-N 2.9Å; K59-L61 PolarHBondContact O-N 3.42Å; K59-A62 PolarHBondContact O-N 3.16Å; K59-Q63 WeakPolarHBondContact O-CB 3.46Å; K59-Q63 PolarHBondContact O-N 2.84Å; K59-I85 HydrophobicContact CB-CD1 4.13Å; K59-I85 HydrophobicContact CB-CG1 4.05Å; K59-I85 HydrophobicContact CB-CG2 4.42Å; K59-I85 HydrophobicContact CG-CG1 4.32Å; K59-I85 HydrophobicContact CG-CG2 4.41Å; K59-T89 HydrophobicContact CG-CG2 4.28Å
60E98.6Very high97Very high50 Ų5024.3 Ų24.323%0.23413%0.126CC..Hα-helixtrans-63.7-41.4179.3179.369.2-16300111.7E56 T57 A62 Q63 R64 L268E56-E60 PolarHBondContact O-N 2.67Å; T57-E60 PolarHBondContact O-N 2.87Å; E60-A62 PolarHBondContact O-N 3.4Å; E60-Q63 PolarHBondContact O-N 3.44Å; E60-R64 WeakPolarHBondContact O-CG 3.34Å; E60-R64 PolarHBondContact O-N 2.87Å; E60-R64 VanDerWaalsContact O-N 3.1Å; E60-R64 IonicContact OE1-CZ 2.68Å; E60-R64 VanDerWaalsContact OE1-CZ 3.26Å; E60-R64 IonicContact OE1-NE 3.32Å; E60-R64 PolarHBondContact OE1-NE 3.15Å; E60-R64 IonicContact OE1-NH2 3.83Å; E60-R64 PolarHBondContact OE1-NH2 2.95Å; E60-L268 HydrophobicContact CB-CD1 3.9Å; E60-L268 HydrophobicContact CB-CD2 3.82Å; E60-L268 HydrophobicContact CG-CD1 3.71Å; E60-L268 HydrophobicContact CG-CD2 3.66Å; E60-L268 HydrophobicContact CG-CG 4.3Å
61L98.8Very high97.4Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-63.5-41.4176.4-67.8165.2000111.7L39 V44 V46 T57 A58 K59 R64 A66 V68 I123 I125 L268 L272L39-L61 HydrophobicContact CD1-CB 4.43Å; L39-L61 HydrophobicContact CD1-CD2 3.54Å; V44-L61 HydrophobicContact CG1-CD1 3.68Å; V46-L61 HydrophobicContact CG2-CD1 4.02Å; T57-L61 HydrophobicContact CG2-CD1 3.9Å; T57-L61 WeakPolarHBondContact O-CD1 3.37Å; T57-L61 WeakPolarHBondContact O-CG 3.5Å; T57-L61 PolarHBondContact O-N 2.78Å; T57-L61 VanDerWaalsContact O-N 3.12Å; A58-L61 PolarHBondContact O-N 2.98Å; K59-L61 PolarHBondContact O-N 3.42Å; L61-R64 PolarHBondContact O-N 3.31Å; L61-A66 HydrophobicContact CB-CB 4.43Å; L61-A66 WeakPolarHBondContact O-CB 3.39Å; L61-A66 PolarHBondContact O-N 2.84Å; L61-A66 VanDerWaalsContact O-N 3.15Å; L61-V68 HydrophobicContact CB-CG2 4.05Å; L61-I123 HydrophobicContact CD2-CD1 4.36Å; L61-I125 HydrophobicContact CD1-CG1 4.45Å; L61-L268 HydrophobicContact CD2-CD2 4.22Å; L61-L268 HydrophobicContact CG-CD2 4.06Å; L61-L272 HydrophobicContact CD2-CD2 3.93Å; L61-L272 HydrophobicContact CD2-CG 4.49Å
62A98.7Very high97.7Very high1 Ų121.6 Ų21.61%0.00811%0.111CC..Hα-helixtrans-66.3-39.8174.700000111.8A58 K59 E60 R64 G65 V68 I85 N91 V94A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 3.31Å; K59-A62 PolarHBondContact O-N 3.16Å; E60-A62 PolarHBondContact O-N 3.4Å; A62-R64 PolarHBondContact O-N 2.86Å; A62-G65 WeakPolarHBondContact O-CA 3.32Å; A62-G65 PolarHBondContact O-N 2.89Å; A62-V68 HydrophobicContact CB-CG2 3.96Å; A62-I85 HydrophobicContact CB-CG2 3.67Å; A62-N91 PolarHBondContact O-ND2 2.88Å; A62-V94 HydrophobicContact CB-CG2 3.71Å
63Q98.4Very high97.8Very high114 Ų11427.9 Ų27.953%0.53313%0.129SC..Hα-helixtrans-60.6-29.4175.7-173.5165.9-6.900112.4K59 E60 G65 T89K59-Q63 WeakPolarHBondContact O-CB 3.46Å; K59-Q63 PolarHBondContact O-N 2.84Å; E60-Q63 PolarHBondContact O-N 3.44Å; Q63-G65 PolarHBondContact O-N 2.77Å; Q63-T89 HydrophobicContact CB-CG2 3.81Å; Q63-T89 HydrophobicContact CG-CG2 4.43Å
64R98.5Very high97.9Very high24 Ų2430.5 Ų30.59%0.09114%0.143CC..THydrogen-bonded Turntrans-81.73.4173.4-68.3167.7-177.4-105.60.7113.8S35 V37 Q38 L39 E60 L61 A62S35-R64 VanDerWaalsContact O-CZ 3.26Å; S35-R64 PolarHBondContact O-NH1 3.02Å; S35-R64 PolarHBondContact O-NH2 2.9Å; V37-R64 WeakPolarHBondContact O-CD 3.42Å; V37-R64 PolarHBondContact O-NH1 3.49Å; Q38-R64 PolarHBondContact OE1-O 2.83Å; L39-R64 HydrophobicContact CB-CB 4.31Å; L39-R64 HydrophobicContact CD1-CB 4.31Å; L39-R64 HydrophobicContact CG-CB 4.18Å; L39-R64 PolarHBondContact N-O 2.79Å; E60-R64 WeakPolarHBondContact O-CG 3.34Å; E60-R64 PolarHBondContact O-N 2.87Å; E60-R64 VanDerWaalsContact O-N 3.1Å; E60-R64 IonicContact OE1-CZ 2.68Å; E60-R64 VanDerWaalsContact OE1-CZ 3.26Å; E60-R64 IonicContact OE1-NE 3.32Å; E60-R64 PolarHBondContact OE1-NE 3.15Å; E60-R64 IonicContact OE1-NH2 3.83Å; E60-R64 PolarHBondContact OE1-NH2 2.95Å; L61-R64 PolarHBondContact O-N 3.31Å; A62-R64 PolarHBondContact O-N 2.86Å
65G98.3Very high98Very high35 Ų3533 Ų3336%0.36116%0.159SC..THydrogen-bonded Turntrans9010.9176.300000115.5L39 A62 Q63L39-G65 CarbonylContact O-C 3.53Å; A62-G65 WeakPolarHBondContact O-CA 3.32Å; A62-G65 PolarHBondContact O-N 2.89Å; Q63-G65 PolarHBondContact O-N 2.77Å
66A98.8Very high98Very high0 Ų039.1 Ų39.10%019%0.187CC..  trans-69.3151.1174.900000112L39 K42 V44 L61 V68 N91L39-A66 HydrophobicContact CB-CB 3.77Å; L39-A66 HydrophobicContact CD1-CB 3.83Å; L39-A66 WeakPolarHBondContact O-CA 3.39Å; K42-A66 WeakPolarHBondContact O-CA 3.33Å; V44-A66 HydrophobicContact CG2-CB 3.86Å; L61-A66 HydrophobicContact CB-CB 4.43Å; L61-A66 WeakPolarHBondContact O-CB 3.39Å; L61-A66 PolarHBondContact O-N 2.84Å; L61-A66 VanDerWaalsContact O-N 3.15Å; A66-V68 HydrophobicContact CB-CG2 3.83Å; A66-N91 PolarHBondContact O-ND2 2.89Å
67R98.8Very high97.9Very high67 Ų6741.2 Ų41.225%0.25320%0.196SC..EExtended strand (participates in β ladder)trans-83.3113160.8178.3164.7169.8110.2-5.8108.7K42 V43 V44 Y69 Q93 L95 E118K42-R67 PolarHBondContact O-N 3.44Å; V43-R67 WeakPolarHBondContact CA-O 3.21Å; V44-R67 PolarHBondContact N-O 3.44Å; R67-Y69 HydrophobicContact CG-CE2 4.3Å; R67-Y69 PolarHBondContact NH2-OH 3.35Å; R67-Q93 CarbonylContact C-O 3.51Å; R67-Q93 VanDerWaalsContact CA-O 3.3Å; R67-Q93 WeakPolarHBondContact CA-O 3.45Å; R67-Q93 HydrophobicContact CB-CB 3.95Å; R67-Q93 HydrophobicContact CG-CB 4.03Å; R67-L95 HydrophobicContact CG-CD1 3.99Å; R67-L95 VanDerWaalsContact NH2-CD1 3.34Å; R67-E118 IonicContact CZ-OE1 2.57Å; R67-E118 IonicContact NE-OE1 3.66Å; R67-E118 PolarHBondContact NE-OE1 3.32Å; R67-E118 IonicContact NH2-OE1 2.98Å; R67-E118 PolarHBondContact NH2-OE1 3.35Å
68V98.8Very high97.8Very high0 Ų041.2 Ų41.20%020%0.196CC..EExtended strand (participates in β ladder)trans-113.8122.7-168.5-174.20000111.2V44 V46 A58 L61 A62 A66 L70 Q93 V94 L95V44-V68 WeakPolarHBondContact O-CA 3.3Å; V46-V68 HydrophobicContact CG2-CG1 4.26Å; A58-V68 HydrophobicContact CB-CG1 3.89Å; L61-V68 HydrophobicContact CB-CG2 4.05Å; A62-V68 HydrophobicContact CB-CG2 3.96Å; A66-V68 HydrophobicContact CB-CG2 3.83Å; V68-L70 HydrophobicContact CG1-CD2 3.99Å; V68-Q93 PolarHBondContact N-O 3.3Å; V68-V94 CarbonylContact O-C 3.51Å; V68-V94 WeakPolarHBondContact O-CA 3.36Å; V68-L95 PolarHBondContact O-N 3.4Å
69Y98.8Very high97.8Very high0 Ų044.8 Ų44.80%021%0.213CC..EExtended strand (participates in β ladder)trans-93.5110.1171.2-80.4-100.5000110.2V43 V44 V46 R67 A71 L95 R97 F114 E117 E118V43-Y69 HydrophobicContact CG1-CD2 4.26Å; V43-Y69 HydrophobicContact CG1-CE2 4.25Å; V44-Y69 PolarHBondContact O-N 2.75Å; V46-Y69 PolarHBondContact N-O 3.43Å; R67-Y69 HydrophobicContact CG-CE2 4.3Å; R67-Y69 PolarHBondContact NH2-OH 3.35Å; Y69-A71 PolarHBondContact O-N 3.03Å; Y69-L95 CarbonylContact C-O 3.29Å; Y69-L95 WeakPolarHBondContact CA-O 3.47Å; Y69-L95 HydrophobicContact CD1-CB 4.25Å; Y69-L95 HydrophobicContact CD2-CD1 4.3Å; Y69-L95 HydrophobicContact CE1-CB 4.24Å; Y69-L95 HydrophobicContact CE1-CD1 4.23Å; Y69-L95 HydrophobicContact CE2-CD1 3.72Å; Y69-R97 HydrophobicContact CD1-CB 4.46Å; Y69-R97 HydrophobicContact CD1-CG 3.64Å; Y69-R97 HydrophobicContact CE1-CG 3.79Å; Y69-F114 HydrophobicContact CD1-CD2 4.07Å; Y69-F114 HydrophobicContact CD1-CE2 4.4Å; Y69-F114 HydrophobicContact CD2-CD2 4.28Å; Y69-F114 AromaticContact CD2-CE2 3.79Å; Y69-F114 HydrophobicContact CD2-CE2 3.79Å; Y69-F114 HydrophobicContact CE1-CD2 4.09Å; Y69-F114 HydrophobicContact CE1-CE2 4.48Å; Y69-F114 HydrophobicContact CE2-CD2 4.31Å; Y69-F114 AromaticContact CE2-CE2 3.89Å; Y69-F114 HydrophobicContact CE2-CE2 3.89Å; Y69-F114 HydrophobicContact CG-CD2 4.16Å; Y69-F114 HydrophobicContact CG-CE2 4.06Å; Y69-E117 PolarHBondContact OH-OE2 3.24Å; Y69-E118 HydrophobicContact CE2-CG 3.64Å; Y69-E118 WeakPolarHBondContact CE2-OE1 3.4Å; Y69-E118 WeakPolarHBondContact OH-CG 3.47Å; Y69-E118 PolarHBondContact OH-OE1 3.37Å
70L98.8Very high97.8Very high0 Ų048.2 Ų48.20%023%0.233CC..EExtended strand (participates in β ladder)trans-77.498.3168-49.2-171.3000108.3A49 A58 V68 C72 V81 A82 I85 V94 L95 V96 R97A49-L70 HydrophobicContact CB-CB 4.1Å; A49-L70 HydrophobicContact CB-CD2 3.6Å; A49-L70 HydrophobicContact CB-CG 4.38Å; A58-L70 HydrophobicContact CB-CD2 3.39Å; V68-L70 HydrophobicContact CG1-CD2 3.99Å; L70-C72 PolarHBondContact O-N 3.28Å; L70-V81 HydrophobicContact CD1-CB 4.42Å; L70-V81 HydrophobicContact CD1-CG1 4.04Å; L70-A82 HydrophobicContact CD1-CB 3.92Å; L70-I85 HydrophobicContact CD1-CD1 4.42Å; L70-I85 HydrophobicContact CD2-CD1 4.48Å; L70-V94 HydrophobicContact CD1-CG1 3.92Å; L70-V94 HydrophobicContact CD2-CG1 4.14Å; L70-V94 HydrophobicContact CG-CG1 3.9Å; L70-L95 PolarHBondContact N-O 3.49Å; L70-V96 HydrophobicContact CB-CG2 4.37Å; L70-V96 HydrophobicContact CD1-CG2 4.37Å; L70-V96 WeakPolarHBondContact O-CA 3.48Å; L70-R97 PolarHBondContact O-N 3.02Å
71A98.4Very high97.7Very high1 Ų146.3 Ų46.31%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-91.4101179.200000109.6V45 V46 T47 G48 Y69 R97 L99 F110V45-A71 HydrophobicContact CG1-CB 4.1Å; V46-A71 PolarHBondContact O-N 2.89Å; T47-A71 CarbonylContact C-O 3.53Å; T47-A71 WeakPolarHBondContact CA-O 3.47Å; G48-A71 PolarHBondContact N-O 2.97Å; Y69-A71 PolarHBondContact O-N 3.03Å; A71-R97 WeakPolarHBondContact CA-O 3.32Å; A71-L99 HydrophobicContact CB-CB 3.93Å; A71-L99 HydrophobicContact CB-CD2 3.62Å; A71-L99 HydrophobicContact CB-CG 4.43Å; A71-F110 HydrophobicContact CB-CD2 4.32Å; A71-F110 HydrophobicContact CB-CE2 3.45Å; A71-F110 VanDerWaalsContact CB-CE2 3.45Å; A71-F110 HydrophobicContact CB-CZ 3.67Å
72C94.9Very high97.7Very high2 Ų246.3 Ų46.31%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-139.9153.6-174.756.20000113.2N50 L70 D74 R97 K98 L99N50-C72 HydrophobicContact CB-CB 4.02Å; L70-C72 PolarHBondContact O-N 3.28Å; C72-D74 PolarHBondContact SG-O 2.92Å; C72-R97 PolarHBondContact N-O 3Å; C72-R97 VanDerWaalsContact N-O 3.16Å; C72-K98 WeakPolarHBondContact O-CA 3.24Å; C72-L99 CarbonylContact C-O 3.52Å; C72-L99 VanDerWaalsContact C-O 3.29Å; C72-L99 PolarHBondContact O-N 2.94Å
73R94.3Very high97.7Very high149 Ų14952.2 Ų52.256%0.56225%0.25SC*.SBendtrans-68.1-42.7-179.5-178.5177.868.3-1743.7112.4L99 D100R73-L99 WeakPolarHBondContact CA-O 3.48Å; R73-L99 PolarHBondContact N-O 3.14Å; R73-L99 VanDerWaalsContact N-O 3.08Å; R73-D100 WeakPolarHBondContact CD-OD2 3.39Å; R73-D100 HydrophobicContact CG-CB 4.1Å; R73-D100 WeakPolarHBondContact CG-OD2 3.42Å
74D96.1Very high97.7Very high74 Ų7450.5 Ų50.540%0.39624%0.242SC..  trans-94.1102.4178.6-178.2-19.4000108.6C72 E76 K77 G78C72-D74 PolarHBondContact SG-O 2.92Å; D74-E76 PolarHBondContact OD1-N 3.42Å; D74-K77 HydrophobicContact CB-CB 4.18Å; D74-K77 VanDerWaalsContact CG-CB 3.45Å; D74-K77 WeakPolarHBondContact OD1-CB 3.15Å; D74-K77 PolarHBondContact OD1-N 3.39Å; D74-K77 WeakPolarHBondContact OD2-CB 3.13Å; D74-G78 PolarHBondContact O-N 2.94Å; D74-G78 VanDerWaalsContact O-N 3.1Å
75V97.1Very high97.7Very high53 Ų5349.4 Ų49.432%0.32124%0.238SC..Hα-helixtrans-72-41.1-176.1177.30000110.6K77 G78 E79 V96 K98V75-K77 PolarHBondContact O-N 2.86Å; V75-G78 CarbonylContact O-C 3.58Å; V75-G78 WeakPolarHBondContact O-CA 3.39Å; V75-G78 PolarHBondContact O-N 2.89Å; V75-E79 HydrophobicContact CG1-CG 4.19Å; V75-E79 WeakPolarHBondContact O-CG 3.32Å; V75-E79 PolarHBondContact O-N 2.85Å; V75-V96 HydrophobicContact CG1-CG1 4.12Å; V75-K98 HydrophobicContact CG2-CB 3.68Å; V75-K98 HydrophobicContact CG2-CG 4.06Å
76E97.3Very high97.7Very high162 Ų16249.6 Ų49.676%0.75723%0.229SC*.Hα-helixtrans-60.3-47.5-179.4-65.8179.1-174.600111D74 G78 E79 L80D74-E76 PolarHBondContact OD1-N 3.42Å; E76-G78 VanDerWaalsContact C-N 3.29Å; E76-G78 PolarHBondContact O-N 2.78Å; E76-E79 PolarHBondContact O-N 3.35Å; E76-L80 WeakPolarHBondContact O-CG 3.32Å; E76-L80 PolarHBondContact O-N 3.16Å
77K96.3Very high97.7Very high85 Ų8555.3 Ų55.337%0.3726%0.264SS..Hα-helixtrans-63.8-36.7173.7-172.4172.4-177.1170.20112.2N50 T51 D74 V75 V81N50-K77 HydrophobicContact CB-CG 4.33Å; T51-K77 HydrophobicContact CG2-CD 4.43Å; T51-K77 VanDerWaalsContact CG2-CE 3.4Å; D74-K77 HydrophobicContact CB-CB 4.18Å; D74-K77 VanDerWaalsContact CG-CB 3.45Å; D74-K77 WeakPolarHBondContact OD1-CB 3.15Å; D74-K77 PolarHBondContact OD1-N 3.39Å; D74-K77 WeakPolarHBondContact OD2-CB 3.13Å; V75-K77 PolarHBondContact O-N 2.86Å; K77-V81 WeakPolarHBondContact O-CG2 3.37Å; K77-V81 PolarHBondContact O-N 3.27Å
78G97.4Very high97.7Very high0 Ų056 Ų560%028%0.276CS..Hα-helixtrans-59.2-44.7173.800000112.5D74 V75 E76 L80 V81 A82 V96D74-G78 PolarHBondContact O-N 2.94Å; D74-G78 VanDerWaalsContact O-N 3.1Å; V75-G78 CarbonylContact O-C 3.58Å; V75-G78 WeakPolarHBondContact O-CA 3.39Å; V75-G78 PolarHBondContact O-N 2.89Å; E76-G78 VanDerWaalsContact C-N 3.29Å; E76-G78 PolarHBondContact O-N 2.78Å; G78-L80 PolarHBondContact O-N 3.11Å; G78-V81 PolarHBondContact O-N 2.99Å; G78-A82 PolarHBondContact O-N 3.39Å; G78-V96 VanDerWaalsContact C-CG2 3.44Å; G78-V96 WeakPolarHBondContact O-CG2 3.25Å
79E98.3Very high97.6Very high76 Ų7657.5 Ų57.536%0.35529%0.285SS..Hα-helixtrans-67.6-36.1-178.1-71.8-66.1171.200112.1V75 E76 V81 A82 K83 V96V75-E79 HydrophobicContact CG1-CG 4.19Å; V75-E79 WeakPolarHBondContact O-CG 3.32Å; V75-E79 PolarHBondContact O-N 2.85Å; E76-E79 PolarHBondContact O-N 3.35Å; E79-V81 VanDerWaalsContact C-N 3.34Å; E79-A82 PolarHBondContact O-N 2.92Å; E79-K83 WeakPolarHBondContact O-CG 3.45Å; E79-K83 PolarHBondContact O-N 3.29Å; E79-V96 HydrophobicContact CG-CB 4.28Å; E79-V96 HydrophobicContact CG-CG2 4.08Å; E79-V96 WeakPolarHBondContact OE1-CB 3.35Å
80L98.2Very high97.6Very high120 Ų12060.1 Ų60.163%0.62831%0.313SS*.Hα-helixtrans-61-44.6171.3-66.3175.9000111.5E76 G78 E84E76-L80 WeakPolarHBondContact O-CG 3.32Å; E76-L80 PolarHBondContact O-N 3.16Å; G78-L80 PolarHBondContact O-N 3.11Å; L80-E84 PolarHBondContact O-N 2.94Å; L80-E84 VanDerWaalsContact O-N 3.08Å
81V97.9Very high97.5Very high10 Ų1061.3 Ų61.36%0.06132%0.319CS..Hα-helixtrans-68.2-39.7177.7172.20000111.7N50 K55 L70 K77 G78 E79 K83 E84 I85N50-V81 WeakPolarHBondContact O-CG2 3.19Å; K55-V81 HydrophobicContact CB-CG1 4.41Å; K55-V81 HydrophobicContact CD-CG1 3.85Å; K55-V81 HydrophobicContact CD-CG2 4.21Å; K55-V81 HydrophobicContact CG-CG1 3.74Å; L70-V81 HydrophobicContact CD1-CB 4.42Å; L70-V81 HydrophobicContact CD1-CG1 4.04Å; K77-V81 WeakPolarHBondContact O-CG2 3.37Å; K77-V81 PolarHBondContact O-N 3.27Å; G78-V81 PolarHBondContact O-N 2.99Å; E79-V81 VanDerWaalsContact C-N 3.34Å; V81-K83 PolarHBondContact O-N 3.18Å; V81-E84 WeakPolarHBondContact O-CB 3.47Å; V81-E84 PolarHBondContact O-N 3.49Å; V81-I85 HydrophobicContact CG1-CD1 3.8Å; V81-I85 HydrophobicContact CG1-CG1 4.31Å; V81-I85 WeakPolarHBondContact O-CG1 3.49Å; V81-I85 PolarHBondContact O-N 2.94Å
82A98.6Very high97.5Very high0 Ų067 Ų670%035%0.345CS..Hα-helixtrans-58.8-48.917600000111L70 G78 E79 E84 I85 Q86 V94 V96L70-A82 HydrophobicContact CD1-CB 3.92Å; G78-A82 PolarHBondContact O-N 3.39Å; E79-A82 PolarHBondContact O-N 2.92Å; A82-E84 VanDerWaalsContact C-N 3.33Å; A82-E84 PolarHBondContact O-N 3.45Å; A82-I85 PolarHBondContact O-N 3.26Å; A82-Q86 WeakPolarHBondContact O-CB 3.48Å; A82-Q86 WeakPolarHBondContact O-CG 3.22Å; A82-Q86 PolarHBondContact O-N 2.95Å; A82-V94 HydrophobicContact CB-CG1 3.98Å; A82-V96 HydrophobicContact CB-CG2 3.65Å
83K98.5Very high97.7Very high124 Ų12470.8 Ų70.854%0.53936%0.363SS..Hα-helixtrans-59-42.2176.3-72.5176-177.4179.70112.7E79 V81 Q86 T87E79-K83 WeakPolarHBondContact O-CG 3.45Å; E79-K83 PolarHBondContact O-N 3.29Å; V81-K83 PolarHBondContact O-N 3.18Å; K83-Q86 PolarHBondContact O-N 3.45Å; K83-T87 WeakPolarHBondContact O-CB 3.32Å; K83-T87 PolarHBondContact O-N 2.96Å; K83-T87 PolarHBondContact O-OG1 3.34Å
84E98.4Very high97.9Very high79 Ų7963.9 Ų63.937%0.36934%0.337SS..Hα-helixtrans-60.7-46.7175.9-173.7-166147.300111.6K55 L80 V81 A82 T87 T88K55-E84 WeakPolarHBondContact CE-OE1 3.45Å; K55-E84 IonicContact NZ-OE1 2.76Å; K55-E84 PolarHBondContact NZ-OE1 2.88Å; K55-E84 IonicContact NZ-OE2 2.57Å; K55-E84 PolarHBondContact NZ-OE2 3.44Å; L80-E84 PolarHBondContact O-N 2.94Å; L80-E84 VanDerWaalsContact O-N 3.08Å; V81-E84 WeakPolarHBondContact O-CB 3.47Å; V81-E84 PolarHBondContact O-N 3.49Å; A82-E84 VanDerWaalsContact C-N 3.33Å; A82-E84 PolarHBondContact O-N 3.45Å; E84-T87 PolarHBondContact O-N 3.18Å; E84-T88 WeakPolarHBondContact O-CB 3.26Å; E84-T88 PolarHBondContact O-N 3.28Å; E84-T88 PolarHBondContact O-OG1 3.46Å
85I98.6Very high98Very high1 Ų162.1 Ų62.11%0.00533%0.328CS..Hα-helixtrans-65.4-45.7178.7-65.4171.2000110.2A58 K59 A62 L70 V81 A82 T87 T88 T89 V94A58-I85 HydrophobicContact CB-CD1 4.34Å; K59-I85 HydrophobicContact CB-CD1 4.13Å; K59-I85 HydrophobicContact CB-CG1 4.05Å; K59-I85 HydrophobicContact CB-CG2 4.42Å; K59-I85 HydrophobicContact CG-CG1 4.32Å; K59-I85 HydrophobicContact CG-CG2 4.41Å; A62-I85 HydrophobicContact CB-CG2 3.67Å; L70-I85 HydrophobicContact CD1-CD1 4.42Å; L70-I85 HydrophobicContact CD2-CD1 4.48Å; V81-I85 HydrophobicContact CG1-CD1 3.8Å; V81-I85 HydrophobicContact CG1-CG1 4.31Å; V81-I85 WeakPolarHBondContact O-CG1 3.49Å; V81-I85 PolarHBondContact O-N 2.94Å; A82-I85 PolarHBondContact O-N 3.26Å; I85-T87 VanDerWaalsContact C-N 3.3Å; I85-T87 PolarHBondContact O-N 3.26Å; I85-T88 PolarHBondContact O-N 2.95Å; I85-T89 HydrophobicContact CG2-CG2 3.97Å; I85-T89 WeakPolarHBondContact O-CB 3.36Å; I85-T89 WeakPolarHBondContact O-CG2 3.38Å; I85-T89 PolarHBondContact O-N 2.94Å; I85-T89 PolarHBondContact O-OG1 2.92Å; I85-V94 HydrophobicContact CB-CG1 4.47Å; I85-V94 HydrophobicContact CB-CG2 4.48Å; I85-V94 HydrophobicContact CG2-CG1 4.47Å; I85-V94 HydrophobicContact CG2-CG2 3.83Å
86Q98.6Very high98Very high38 Ų3859.8 Ų59.818%0.17831%0.314CS..Hα-helixtrans-57.1-44.5177.2-69.4165.1-8.400111.3A82 K83 G90 N91 V94A82-Q86 WeakPolarHBondContact O-CB 3.48Å; A82-Q86 WeakPolarHBondContact O-CG 3.22Å; A82-Q86 PolarHBondContact O-N 2.95Å; K83-Q86 PolarHBondContact O-N 3.45Å; Q86-G90 CarbonylContact O-C 3.21Å; Q86-G90 VanDerWaalsContact O-CA 3.23Å; Q86-G90 WeakPolarHBondContact O-CA 3.18Å; Q86-G90 PolarHBondContact O-N 3.17Å; Q86-N91 WeakPolarHBondContact CA-O 3.43Å; Q86-N91 WeakPolarHBondContact CG-O 3.21Å; Q86-V94 HydrophobicContact CG-CB 3.94Å; Q86-V94 HydrophobicContact CG-CG2 4.21Å; Q86-V94 PolarHBondContact NE2-O 2.99Å
87T98.3Very high98.1Very high120 Ų12055.6 Ų55.674%0.73629%0.291SS*.Hα-helixtrans-65.6-44.5178.4-56.10000111.4K83 E84 I85K83-T87 WeakPolarHBondContact O-CB 3.32Å; K83-T87 PolarHBondContact O-N 2.96Å; K83-T87 PolarHBondContact O-OG1 3.34Å; E84-T87 PolarHBondContact O-N 3.18Å; I85-T87 VanDerWaalsContact C-N 3.3Å; I85-T87 PolarHBondContact O-N 3.26Å
88T97.6Very high98.2Very high81 Ų8157.7 Ų57.750%0.49730%0.3SS..Hα-helixtrans-74.2-33.1-175.1-53.60000112.6E84 I85E84-T88 WeakPolarHBondContact O-CB 3.26Å; E84-T88 PolarHBondContact O-N 3.28Å; E84-T88 PolarHBondContact O-OG1 3.46Å; I85-T88 PolarHBondContact O-N 2.95Å
89T97.6Very high98.3Very high32 Ų3258 Ų5820%0.19630%0.302CS..Hα-helixtrans-101.5-15.6-174.564.20000113.4K59 Q63 I85 N91K59-T89 HydrophobicContact CG-CG2 4.28Å; Q63-T89 HydrophobicContact CB-CG2 3.81Å; Q63-T89 HydrophobicContact CG-CG2 4.43Å; I85-T89 HydrophobicContact CG2-CG2 3.97Å; I85-T89 WeakPolarHBondContact O-CB 3.36Å; I85-T89 WeakPolarHBondContact O-CG2 3.38Å; I85-T89 PolarHBondContact O-N 2.94Å; I85-T89 PolarHBondContact O-OG1 2.92Å; T89-N91 PolarHBondContact O-N 3.16Å; T89-N91 WeakPolarHBondContact OG1-CB 3.19Å; T89-N91 PolarHBondContact OG1-N 3.45Å
90G97.9Very high98.3Very high56 Ų5656 Ų5658%0.57729%0.293SS*.  trans73.2-7.4-169.100000114.1Q86 Q92Q86-G90 CarbonylContact O-C 3.21Å; Q86-G90 VanDerWaalsContact O-CA 3.23Å; Q86-G90 WeakPolarHBondContact O-CA 3.18Å; Q86-G90 PolarHBondContact O-N 3.17Å; G90-Q92 PolarHBondContact O-N 3.14Å; G90-Q92 PolarHBondContact O-NE2 3.01Å
91N97.9Very high98.3Very high24 Ų2450.9 Ų50.913%0.12827%0.267CS..  trans-84.3109.9-176.4-176.2-2.8000111.3A62 A66 Q86 T89 Q93A62-N91 PolarHBondContact O-ND2 2.88Å; A66-N91 PolarHBondContact O-ND2 2.89Å; Q86-N91 WeakPolarHBondContact CA-O 3.43Å; Q86-N91 WeakPolarHBondContact CG-O 3.21Å; T89-N91 PolarHBondContact O-N 3.16Å; T89-N91 WeakPolarHBondContact OG1-CB 3.19Å; T89-N91 PolarHBondContact OG1-N 3.45Å; N91-Q93 PolarHBondContact O-N 3.31Å; N91-Q93 WeakPolarHBondContact OD1-CA 3.29Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.47Å; N91-Q93 PolarHBondContact OD1-N 3.44Å
92Q97.9Very high98.3Very high120 Ų12051.2 Ų51.256%0.56127%0.269SS*.  trans-75.6-7.2178.9-56.9-54.2-54.700113.9G90 V94G90-Q92 PolarHBondContact O-N 3.14Å; G90-Q92 PolarHBondContact O-NE2 3.01Å; Q92-V94 PolarHBondContact O-N 2.91Å; Q92-V94 VanDerWaalsContact O-N 3.12Å
93Q98Very high98.3Very high83 Ų8353.4 Ų53.439%0.38828%0.281SS..  trans-87.538.6-175.4-55.5-64.8-45.300112.5R67 V68 N91R67-Q93 CarbonylContact C-O 3.51Å; R67-Q93 VanDerWaalsContact CA-O 3.3Å; R67-Q93 WeakPolarHBondContact CA-O 3.45Å; R67-Q93 HydrophobicContact CB-CB 3.95Å; R67-Q93 HydrophobicContact CG-CB 4.03Å; V68-Q93 PolarHBondContact N-O 3.3Å; N91-Q93 PolarHBondContact O-N 3.31Å; N91-Q93 WeakPolarHBondContact OD1-CA 3.29Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.47Å; N91-Q93 PolarHBondContact OD1-N 3.44Å
94V98.6Very high98.3Very high3 Ų348.6 Ų48.62%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-110.5115.3175.4-174.10000108.5A62 V68 L70 A82 I85 Q86 Q92A62-V94 HydrophobicContact CB-CG2 3.71Å; V68-V94 CarbonylContact O-C 3.51Å; V68-V94 WeakPolarHBondContact O-CA 3.36Å; L70-V94 HydrophobicContact CD1-CG1 3.92Å; L70-V94 HydrophobicContact CD2-CG1 4.14Å; L70-V94 HydrophobicContact CG-CG1 3.9Å; A82-V94 HydrophobicContact CB-CG1 3.98Å; I85-V94 HydrophobicContact CB-CG1 4.47Å; I85-V94 HydrophobicContact CB-CG2 4.48Å; I85-V94 HydrophobicContact CG2-CG1 4.47Å; I85-V94 HydrophobicContact CG2-CG2 3.83Å; Q86-V94 HydrophobicContact CG-CB 3.94Å; Q86-V94 HydrophobicContact CG-CG2 4.21Å; Q86-V94 PolarHBondContact NE2-O 2.99Å; Q92-V94 PolarHBondContact O-N 2.91Å; Q92-V94 VanDerWaalsContact O-N 3.12Å
95L98.4Very high98.4Very high37 Ų3752.5 Ų52.519%0.19428%0.278CS..EExtended strand (participates in β ladder)trans-123.7145.2-167.8-61.3143.5000110R67 V68 Y69 L70R67-L95 HydrophobicContact CG-CD1 3.99Å; R67-L95 VanDerWaalsContact NH2-CD1 3.34Å; V68-L95 PolarHBondContact O-N 3.4Å; Y69-L95 CarbonylContact C-O 3.29Å; Y69-L95 WeakPolarHBondContact CA-O 3.47Å; Y69-L95 HydrophobicContact CD1-CB 4.25Å; Y69-L95 HydrophobicContact CD2-CD1 4.3Å; Y69-L95 HydrophobicContact CE1-CB 4.24Å; Y69-L95 HydrophobicContact CE1-CD1 4.23Å; Y69-L95 HydrophobicContact CE2-CD1 3.72Å; L70-L95 PolarHBondContact N-O 3.49Å
96V98.6Very high98.4Very high5 Ų553.1 Ų53.13%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-107.2135.8177.4-171.50000109.8L70 V75 G78 E79 A82L70-V96 HydrophobicContact CB-CG2 4.37Å; L70-V96 HydrophobicContact CD1-CG2 4.37Å; L70-V96 WeakPolarHBondContact O-CA 3.48Å; V75-V96 HydrophobicContact CG1-CG1 4.12Å; G78-V96 VanDerWaalsContact C-CG2 3.44Å; G78-V96 WeakPolarHBondContact O-CG2 3.25Å; E79-V96 HydrophobicContact CG-CB 4.28Å; E79-V96 HydrophobicContact CG-CG2 4.08Å; E79-V96 WeakPolarHBondContact OE1-CB 3.35Å; A82-V96 HydrophobicContact CB-CG2 3.65Å
97R98.4Very high98.4Very high73 Ų7351.3 Ų51.328%0.27527%0.274SS..EExtended strand (participates in β ladder)trans-135.4138.3172-70.3-65.6177.9-83.1-2.1109.3Y69 L70 A71 C72 L99 F110 E117Y69-R97 HydrophobicContact CD1-CB 4.46Å; Y69-R97 HydrophobicContact CD1-CG 3.64Å; Y69-R97 HydrophobicContact CE1-CG 3.79Å; L70-R97 PolarHBondContact O-N 3.02Å; A71-R97 WeakPolarHBondContact CA-O 3.32Å; C72-R97 PolarHBondContact N-O 3Å; C72-R97 VanDerWaalsContact N-O 3.16Å; R97-L99 PolarHBondContact O-N 2.6Å; R97-F110 HydrophobicContact CB-CD2 3.8Å; R97-F110 HydrophobicContact CB-CE2 3.58Å; R97-E117 IonicContact CZ-OE1 2.8Å; R97-E117 IonicContact CZ-OE2 3.93Å; R97-E117 IonicContact NE-OE1 2.65Å; R97-E117 PolarHBondContact NE-OE1 3.03Å; R97-E117 IonicContact NE-OE2 2.87Å; R97-E117 PolarHBondContact NE-OE2 3.03Å; R97-E117 VanDerWaalsContact NE-OE2 3.17Å; R97-E117 VanDerWaalsContact NH2-CD 3.28Å; R97-E117 IonicContact NH2-OE1 2.69Å; R97-E117 PolarHBondContact NH2-OE1 3.08Å; R97-E117 IonicContact NH2-OE2 3.17Å; R97-E117 PolarHBondContact NH2-OE2 3.5Å
98K98.6Very high98.4Very high130 Ų13050.3 Ų50.357%0.56526%0.256SS*.EExtended strand (participates in β ladder)trans-65.1125.5179.5-173.1178178.2-179.60109.9C72 V75 F110C72-K98 WeakPolarHBondContact O-CA 3.24Å; V75-K98 HydrophobicContact CG2-CB 3.68Å; V75-K98 HydrophobicContact CG2-CG 4.06Å; K98-F110 WeakPolarHBondContact O-CD2 3.49Å
99L98.8Very high98.5Very high6 Ų649.5 Ų49.53%0.03126%0.258CS..  trans-142.7109.9171.4176.865.8000109.6T47 A71 C72 R73 R97 L101 I107 F110 L156T47-L99 HydrophobicContact CG2-CD2 3.7Å; A71-L99 HydrophobicContact CB-CB 3.93Å; A71-L99 HydrophobicContact CB-CD2 3.62Å; A71-L99 HydrophobicContact CB-CG 4.43Å; C72-L99 CarbonylContact C-O 3.52Å; C72-L99 VanDerWaalsContact C-O 3.29Å; C72-L99 PolarHBondContact O-N 2.94Å; R73-L99 WeakPolarHBondContact CA-O 3.48Å; R73-L99 PolarHBondContact N-O 3.14Å; R73-L99 VanDerWaalsContact N-O 3.08Å; R97-L99 PolarHBondContact O-N 2.6Å; L99-L101 HydrophobicContact CD1-CD2 4.41Å; L99-L101 HydrophobicContact CD2-CD2 4.21Å; L99-L101 HydrophobicContact CD2-CG 4.34Å; L99-L101 HydrophobicContact CG-CD2 4.38Å; L99-L101 HydrophobicContact CG-CG 4.3Å; L99-I107 HydrophobicContact CD1-CB 4.34Å; L99-I107 HydrophobicContact CD1-CG1 3.98Å; L99-F110 HydrophobicContact CB-CD2 3.89Å; L99-F110 HydrophobicContact CB-CE2 4.39Å; L99-F110 HydrophobicContact CB-CG 4.23Å; L99-F110 HydrophobicContact CD1-CB 3.84Å; L99-F110 HydrophobicContact CD1-CD1 4.3Å; L99-F110 HydrophobicContact CD1-CD2 4.49Å; L99-F110 HydrophobicContact CD1-CG 3.96Å; L99-L156 HydrophobicContact CD2-CD2 3.92Å
100D98.6Very high98.5Very high34 Ų3448.5 Ų48.518%0.18225%0.251CS..  trans-101.4111.2165.6-163.7-23.3000109.8R73 S102 D103 S106R73-D100 WeakPolarHBondContact CD-OD2 3.39Å; R73-D100 HydrophobicContact CG-CB 4.1Å; R73-D100 WeakPolarHBondContact CG-OD2 3.42Å; D100-S102 VanDerWaalsContact CG-OG 3.32Å; D100-S102 PolarHBondContact O-N 2.82Å; D100-S102 WeakPolarHBondContact OD1-CB 3.27Å; D100-S102 PolarHBondContact OD1-N 3.24Å; D100-S102 PolarHBondContact OD1-OG 2.91Å; D100-S102 PolarHBondContact OD2-OG 3.41Å; D100-D103 PolarHBondContact O-N 3.25Å; D100-S106 PolarHBondContact N-OG 3.34Å
101L98.7Very high98.6Very high13 Ų1346 Ų467%0.06823%0.225CC..THydrogen-bonded Turntrans-74-8.4179-71.6165.3000113.3L99 D103 I107 A128 V148 G152 H153L99-L101 HydrophobicContact CD1-CD2 4.41Å; L99-L101 HydrophobicContact CD2-CD2 4.21Å; L99-L101 HydrophobicContact CD2-CG 4.34Å; L99-L101 HydrophobicContact CG-CD2 4.38Å; L99-L101 HydrophobicContact CG-CG 4.3Å; L101-D103 VanDerWaalsContact C-N 3.32Å; L101-I107 HydrophobicContact CD2-CD1 4.29Å; L101-I107 HydrophobicContact CD2-CG1 4.31Å; L101-A128 HydrophobicContact CD1-CB 3.46Å; L101-A128 VanDerWaalsContact CD1-CB 3.46Å; L101-V148 HydrophobicContact CB-CG1 4.06Å; L101-G152 VanDerWaalsContact CD2-C 3.48Å; L101-H153 VanDerWaalsContact CD1-NE2 3.35Å; L101-H153 WeakPolarHBondContact CD1-NE2 3.48Å
102S98.4Very high98.6Very high17 Ų1752.7 Ų52.712%0.11925%0.253CS..THydrogen-bonded Turntrans-91.19.3173.469.60000113.4D100 T138 A139D100-S102 VanDerWaalsContact CG-OG 3.32Å; D100-S102 PolarHBondContact O-N 2.82Å; D100-S102 WeakPolarHBondContact OD1-CB 3.27Å; D100-S102 PolarHBondContact OD1-N 3.24Å; D100-S102 PolarHBondContact OD1-OG 2.91Å; D100-S102 PolarHBondContact OD2-OG 3.41Å; S102-T138 VanDerWaalsContact O-CB 3.26Å; S102-T138 WeakPolarHBondContact O-CB 3.24Å; S102-A139 WeakPolarHBondContact O-CB 3.47Å; S102-A139 PolarHBondContact O-N 2.96Å
103D98.7Very high98.6Very high46 Ų4648.4 Ų48.425%0.24624%0.241CC..  trans-142.5110.8177.8174.95.2000110.6D100 L101 K105 S106 I107 A139 D140D100-D103 PolarHBondContact O-N 3.25Å; L101-D103 VanDerWaalsContact C-N 3.32Å; D103-K105 PolarHBondContact O-N 2.83Å; D103-K105 WeakPolarHBondContact OD1-CA 3.47Å; D103-K105 VanDerWaalsContact OD1-CB 3.26Å; D103-K105 WeakPolarHBondContact OD1-CB 3.39Å; D103-K105 PolarHBondContact OD1-N 2.86Å; D103-S106 WeakPolarHBondContact O-CA 3.45Å; D103-S106 WeakPolarHBondContact O-CB 3.31Å; D103-S106 PolarHBondContact O-N 2.97Å; D103-I107 WeakPolarHBondContact O-CG1 3.39Å; D103-I107 PolarHBondContact O-N 2.79Å; D103-A139 HydrophobicContact CB-CB 3.98Å; D103-D140 WeakPolarHBondContact CA-OD2 3.33Å
104T98.6Very high98.7Very high22 Ų2244.5 Ų44.514%0.13522%0.222CC..Hα-helixtrans-61-27.3-179.9690000113I107 R108 D140 F142 L155 L313T104-I107 PolarHBondContact O-N 2.86Å; T104-R108 WeakPolarHBondContact O-CB 3.29Å; T104-R108 VanDerWaalsContact O-CG 3.29Å; T104-R108 WeakPolarHBondContact O-CG 3.24Å; T104-R108 PolarHBondContact O-N 3.47Å; T104-D140 WeakPolarHBondContact CB-OD1 3.33Å; T104-D140 HydrophobicContact CG2-CB 4.25Å; T104-D140 VanDerWaalsContact CG2-CG 3.4Å; T104-D140 WeakPolarHBondContact CG2-OD1 3.34Å; T104-D140 WeakPolarHBondContact CG2-OD2 3.37Å; T104-D140 PolarHBondContact N-OD2 2.84Å; T104-D140 PolarHBondContact OG1-OD1 3.12Å; T104-F142 HydrophobicContact CG2-CE2 4.43Å; T104-L155 HydrophobicContact CG2-CD2 3.75Å; T104-L313 HydrophobicContact CG2-CD2 3.89Å
105K98.6Very high98.7Very high161 Ų16147.6 Ų47.670%0.724%0.239SC*.Hα-helixtrans-68.7-41.1174.3-60.4177.4-177.3172.80110.5D103 I107 R108 A109D103-K105 PolarHBondContact O-N 2.83Å; D103-K105 WeakPolarHBondContact OD1-CA 3.47Å; D103-K105 VanDerWaalsContact OD1-CB 3.26Å; D103-K105 WeakPolarHBondContact OD1-CB 3.39Å; D103-K105 PolarHBondContact OD1-N 2.86Å; K105-I107 VanDerWaalsContact C-N 3.32Å; K105-I107 PolarHBondContact O-N 3.39Å; K105-R108 PolarHBondContact O-N 3.32Å; K105-A109 VanDerWaalsContact O-CB 3.26Å; K105-A109 WeakPolarHBondContact O-CB 3.27Å; K105-A109 PolarHBondContact O-N 2.85Å
106S98.8Very high98.7Very high14 Ų1450.1 Ų50.110%0.09826%0.264CS..Hα-helixtrans-61.8-41173.1-175.50000111.6D100 D103 A109 F110D100-S106 PolarHBondContact N-OG 3.34Å; D103-S106 WeakPolarHBondContact O-CA 3.45Å; D103-S106 WeakPolarHBondContact O-CB 3.31Å; D103-S106 PolarHBondContact O-N 2.97Å; S106-A109 PolarHBondContact O-N 3.28Å; S106-F110 WeakPolarHBondContact O-CB 3.49Å; S106-F110 PolarHBondContact O-N 3.02Å
107I98.9Very high98.6Very high1 Ų154 Ų541%0.00528%0.282CS..Hα-helixtrans-64.8-46.6178.9-61.3163.7000110.6L99 L101 D103 T104 K105 A109 F110 A111 L155 L156 L159L99-I107 HydrophobicContact CD1-CB 4.34Å; L99-I107 HydrophobicContact CD1-CG1 3.98Å; L101-I107 HydrophobicContact CD2-CD1 4.29Å; L101-I107 HydrophobicContact CD2-CG1 4.31Å; D103-I107 WeakPolarHBondContact O-CG1 3.39Å; D103-I107 PolarHBondContact O-N 2.79Å; T104-I107 PolarHBondContact O-N 2.86Å; K105-I107 VanDerWaalsContact C-N 3.32Å; K105-I107 PolarHBondContact O-N 3.39Å; I107-A109 PolarHBondContact O-N 3.45Å; I107-F110 PolarHBondContact O-N 3.13Å; I107-A111 PolarHBondContact O-N 2.89Å; I107-L155 HydrophobicContact CB-CD2 3.97Å; I107-L155 HydrophobicContact CB-CG 4.46Å; I107-L155 HydrophobicContact CD1-CD2 4.07Å; I107-L155 HydrophobicContact CG2-CB 4.23Å; I107-L155 HydrophobicContact CG2-CD2 3.88Å; I107-L155 HydrophobicContact CG2-CG 3.81Å; I107-L156 HydrophobicContact CG2-CB 3.96Å; I107-L156 HydrophobicContact CG2-CD1 4.29Å; I107-L159 HydrophobicContact CG2-CD1 4.14Å
108R98.8Very high98.5Very high98 Ų9851.5 Ų51.537%0.3727%0.274SS..Hα-helixtrans-63.7-40.1177.2-70.5175.2-169.3-77.43.3112T104 K105 A111 K112 L155 L159 L313T104-R108 WeakPolarHBondContact O-CB 3.29Å; T104-R108 VanDerWaalsContact O-CG 3.29Å; T104-R108 WeakPolarHBondContact O-CG 3.24Å; T104-R108 PolarHBondContact O-N 3.47Å; K105-R108 PolarHBondContact O-N 3.32Å; R108-A111 PolarHBondContact O-N 3Å; R108-K112 VanDerWaalsContact O-CB 3.31Å; R108-K112 WeakPolarHBondContact O-CB 3.48Å; R108-K112 PolarHBondContact O-N 3.41Å; R108-L155 HydrophobicContact CG-CD2 4.46Å; R108-L159 HydrophobicContact CB-CD1 4.47Å; R108-L159 HydrophobicContact CG-CD1 3.86Å; R108-L313 PolarHBondContact NH2-O 3.04Å
109A98.8Very high98.4Very high65 Ų6553.4 Ų53.454%0.53728%0.282SS..Hα-helixtrans-64.1-44175.800000111.9K105 S106 I107 G113K105-A109 VanDerWaalsContact O-CB 3.26Å; K105-A109 WeakPolarHBondContact O-CB 3.27Å; K105-A109 PolarHBondContact O-N 2.85Å; S106-A109 PolarHBondContact O-N 3.28Å; I107-A109 PolarHBondContact O-N 3.45Å; A109-G113 PolarHBondContact O-N 2.88Å
110F98.9Very high98.4Very high11 Ų1157.4 Ų57.45%0.04830%0.301CS..Hα-helixtrans-58.2-52.2173.8173-87.1000111.1V45 A71 R97 K98 L99 S106 I107 K112 G113 F114 L156 L160V45-F110 HydrophobicContact CG1-CE1 4.22Å; V45-F110 HydrophobicContact CG1-CZ 3.79Å; V45-F110 HydrophobicContact CG2-CZ 4.4Å; A71-F110 HydrophobicContact CB-CD2 4.32Å; A71-F110 HydrophobicContact CB-CE2 3.45Å; A71-F110 VanDerWaalsContact CB-CE2 3.45Å; A71-F110 HydrophobicContact CB-CZ 3.67Å; R97-F110 HydrophobicContact CB-CD2 3.8Å; R97-F110 HydrophobicContact CB-CE2 3.58Å; K98-F110 WeakPolarHBondContact O-CD2 3.49Å; L99-F110 HydrophobicContact CB-CD2 3.89Å; L99-F110 HydrophobicContact CB-CE2 4.39Å; L99-F110 HydrophobicContact CB-CG 4.23Å; L99-F110 HydrophobicContact CD1-CB 3.84Å; L99-F110 HydrophobicContact CD1-CD1 4.3Å; L99-F110 HydrophobicContact CD1-CD2 4.49Å; L99-F110 HydrophobicContact CD1-CG 3.96Å; S106-F110 WeakPolarHBondContact O-CB 3.49Å; S106-F110 PolarHBondContact O-N 3.02Å; I107-F110 PolarHBondContact O-N 3.13Å; F110-K112 PolarHBondContact O-N 2.78Å; F110-G113 PolarHBondContact O-N 2.82Å; F110-F114 HydrophobicContact CE1-CB 4.38Å; F110-F114 WeakPolarHBondContact O-CB 3.36Å; F110-F114 PolarHBondContact O-N 2.85Å; F110-L156 HydrophobicContact CD1-CD1 3.57Å; F110-L156 HydrophobicContact CE1-CD1 3.76Å; F110-L160 HydrophobicContact CE1-CD1 4.37Å
111A98.8Very high98.4Very high3 Ų355.8 Ų55.83%0.02529%0.292CS..Hα-helixtrans-61.6-45-177.800000111.5I107 R108 G113 F114 L115 L159 L160I107-A111 PolarHBondContact O-N 2.89Å; R108-A111 PolarHBondContact O-N 3Å; A111-G113 PolarHBondContact O-N 3.44Å; A111-F114 PolarHBondContact O-N 3.44Å; A111-L115 WeakPolarHBondContact O-CB 3.34Å; A111-L115 WeakPolarHBondContact O-CG 3.42Å; A111-L115 PolarHBondContact O-N 2.81Å; A111-L159 HydrophobicContact CB-CB 3.74Å; A111-L159 HydrophobicContact CB-CD1 3.87Å; A111-L159 HydrophobicContact CB-CG 4.43Å; A111-L160 HydrophobicContact CB-CD2 4.13Å
112K98.8Very high98.4Very high165 Ų16556.2 Ų56.272%0.71729%0.293SS*.Hα-helixtrans-59.6-45.9176-176.9-179.3178.7-178.70112.1R108 F110 A116R108-K112 VanDerWaalsContact O-CB 3.31Å; R108-K112 WeakPolarHBondContact O-CB 3.48Å; R108-K112 PolarHBondContact O-N 3.41Å; F110-K112 PolarHBondContact O-N 2.78Å; K112-A116 WeakPolarHBondContact O-CB 3.46Å; K112-A116 PolarHBondContact O-N 3.22Å; K112-A116 VanDerWaalsContact O-N 3.13Å
113G98.6Very high98.4Very high29 Ų2955.8 Ų55.830%0.29929%0.29SS..Hα-helixtrans-63.6-48178.100000111.9A109 F110 A111 L115 A116 E117A109-G113 PolarHBondContact O-N 2.88Å; F110-G113 PolarHBondContact O-N 2.82Å; A111-G113 PolarHBondContact O-N 3.44Å; G113-L115 PolarHBondContact O-N 2.81Å; G113-A116 PolarHBondContact O-N 3.22Å; G113-E117 WeakPolarHBondContact O-CG 3.23Å; G113-E117 PolarHBondContact O-N 2.84Å; G113-E117 VanDerWaalsContact O-N 3.16Å
114F98.8Very high98.5Very high1 Ų153.6 Ų53.60%0.00428%0.278CS..Hα-helixtrans-58.2-47.6177.3177.7-91.6000111.9V43 V45 Y69 F110 A111 A116 E117 E118 L121 L160V43-F114 HydrophobicContact CG1-CE2 4.07Å; V43-F114 HydrophobicContact CG1-CZ 3.91Å; V45-F114 HydrophobicContact CG2-CD2 4Å; V45-F114 HydrophobicContact CG2-CE2 3.55Å; V45-F114 HydrophobicContact CG2-CZ 3.94Å; Y69-F114 HydrophobicContact CD1-CD2 4.07Å; Y69-F114 HydrophobicContact CD1-CE2 4.4Å; Y69-F114 HydrophobicContact CD2-CD2 4.28Å; Y69-F114 AromaticContact CD2-CE2 3.79Å; Y69-F114 HydrophobicContact CD2-CE2 3.79Å; Y69-F114 HydrophobicContact CE1-CD2 4.09Å; Y69-F114 HydrophobicContact CE1-CE2 4.48Å; Y69-F114 HydrophobicContact CE2-CD2 4.31Å; Y69-F114 AromaticContact CE2-CE2 3.89Å; Y69-F114 HydrophobicContact CE2-CE2 3.89Å; Y69-F114 HydrophobicContact CG-CD2 4.16Å; Y69-F114 HydrophobicContact CG-CE2 4.06Å; F110-F114 HydrophobicContact CE1-CB 4.38Å; F110-F114 WeakPolarHBondContact O-CB 3.36Å; F110-F114 PolarHBondContact O-N 2.85Å; A111-F114 PolarHBondContact O-N 3.44Å; F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 2.67Å; F114-E117 PolarHBondContact O-N 2.88Å; F114-E117 VanDerWaalsContact O-N 3.14Å; F114-E118 HydrophobicContact CD1-CB 4.48Å; F114-E118 HydrophobicContact CD2-CB 4.41Å; F114-E118 HydrophobicContact CD2-CG 4.1Å; F114-E118 HydrophobicContact CE1-CB 4.02Å; F114-E118 HydrophobicContact CE2-CB 3.96Å; F114-E118 HydrophobicContact CE2-CG 3.67Å; F114-E118 HydrophobicContact CZ-CB 3.73Å; F114-E118 HydrophobicContact CZ-CG 3.95Å; F114-E118 WeakPolarHBondContact O-CB 3.35Å; F114-E118 PolarHBondContact O-N 3.15Å; F114-L121 HydrophobicContact CE1-CB 4.01Å; F114-L121 HydrophobicContact CE1-CD1 4.41Å; F114-L121 HydrophobicContact CE1-CD2 4.1Å; F114-L121 HydrophobicContact CE1-CG 4.4Å; F114-L121 HydrophobicContact CZ-CB 4.08Å; F114-L121 HydrophobicContact CZ-CD1 3.91Å; F114-L121 HydrophobicContact CZ-CD2 4.42Å; F114-L121 HydrophobicContact CZ-CG 4.35Å; F114-L160 HydrophobicContact CD1-CD2 3.75Å; F114-L160 HydrophobicContact CE1-CD2 4.34Å
115L98.6Very high98.5Very high69 Ų6952.6 Ų52.636%0.36127%0.272SS..Hα-helixtrans-68.1-23.7-179.5-68172.3000113.7A111 G113 L160 K163A111-L115 WeakPolarHBondContact O-CB 3.34Å; A111-L115 WeakPolarHBondContact O-CG 3.42Å; A111-L115 PolarHBondContact O-N 2.81Å; G113-L115 PolarHBondContact O-N 2.81Å; L115-L160 HydrophobicContact CD1-CD2 4.37Å; L115-L160 HydrophobicContact CD2-CD2 4.05Å; L115-L160 HydrophobicContact CG-CD2 4.01Å; L115-K163 HydrophobicContact CD2-CB 3.6Å; L115-K163 HydrophobicContact CD2-CD 4.46Å; L115-K163 HydrophobicContact CD2-CG 3.81Å
116A98.2Very high98.5Very high89 Ų8945 Ų4574%0.73624%0.239SC*.Hα-helixtrans-77.2-29.6173.200000112.4K112 G113 F114K112-A116 WeakPolarHBondContact O-CB 3.46Å; K112-A116 PolarHBondContact O-N 3.22Å; K112-A116 VanDerWaalsContact O-N 3.13Å; G113-A116 PolarHBondContact O-N 3.22Å; F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 2.67Å
117E96.6Very high98.5Very high86 Ų8645.2 Ų45.240%0.40224%0.239SC..Hα-helixtrans-89.5-38.6-178.7-67.4174.1-160.900112.9Y69 R97 G113 F114Y69-E117 PolarHBondContact OH-OE2 3.24Å; R97-E117 IonicContact CZ-OE1 2.8Å; R97-E117 IonicContact CZ-OE2 3.93Å; R97-E117 IonicContact NE-OE1 2.65Å; R97-E117 PolarHBondContact NE-OE1 3.03Å; R97-E117 IonicContact NE-OE2 2.87Å; R97-E117 PolarHBondContact NE-OE2 3.03Å; R97-E117 VanDerWaalsContact NE-OE2 3.17Å; R97-E117 VanDerWaalsContact NH2-CD 3.28Å; R97-E117 IonicContact NH2-OE1 2.69Å; R97-E117 PolarHBondContact NH2-OE1 3.08Å; R97-E117 IonicContact NH2-OE2 3.17Å; R97-E117 PolarHBondContact NH2-OE2 3.5Å; G113-E117 WeakPolarHBondContact O-CG 3.23Å; G113-E117 PolarHBondContact O-N 2.84Å; G113-E117 VanDerWaalsContact O-N 3.16Å; F114-E117 PolarHBondContact O-N 2.88Å; F114-E117 VanDerWaalsContact O-N 3.14Å
118E97.3Very high98.3Very high22 Ų2245.9 Ų45.910%0.10324%0.244CC..  trans-113.2132-166.1-70.3-60.5157.100113.4V43 R67 Y69 F114V43-E118 HydrophobicContact CG1-CG 4.25Å; R67-E118 IonicContact CZ-OE1 2.57Å; R67-E118 IonicContact NE-OE1 3.66Å; R67-E118 PolarHBondContact NE-OE1 3.32Å; R67-E118 IonicContact NH2-OE1 2.98Å; R67-E118 PolarHBondContact NH2-OE1 3.35Å; Y69-E118 HydrophobicContact CE2-CG 3.64Å; Y69-E118 WeakPolarHBondContact CE2-OE1 3.4Å; Y69-E118 WeakPolarHBondContact OH-CG 3.47Å; Y69-E118 PolarHBondContact OH-OE1 3.37Å; F114-E118 HydrophobicContact CD1-CB 4.48Å; F114-E118 HydrophobicContact CD2-CB 4.41Å; F114-E118 HydrophobicContact CD2-CG 4.1Å; F114-E118 HydrophobicContact CE1-CB 4.02Å; F114-E118 HydrophobicContact CE2-CB 3.96Å; F114-E118 HydrophobicContact CE2-CG 3.67Å; F114-E118 HydrophobicContact CZ-CB 3.73Å; F114-E118 HydrophobicContact CZ-CG 3.95Å; F114-E118 WeakPolarHBondContact O-CB 3.35Å; F114-E118 PolarHBondContact O-N 3.15Å
119K96.8Very high98.1Very high169 Ų16942.3 Ų42.374%0.73524%0.238SC*.SBendtrans-82.6-22.9177.5-65.4-175.8-179.6179.90112.9K163K119-K163 WeakPolarHBondContact O-CD 3.34Å; K119-K163 PolarHBondContact O-NZ 3.24Å
120H98.2Very high97.8Very high91 Ų9140.1 Ų40.142%0.42122%0.218SC..  trans-136152.2-173.7-57.7-68.1000112.4V43 S167V43-H120 VanDerWaalsContact CB-O 3.29Å; V43-H120 WeakPolarHBondContact CB-O 3.49Å; V43-H120 WeakPolarHBondContact CG1-O 3.24Å; V43-H120 HydrophobicContact CG2-CB 4.43Å; H120-S167 VanDerWaalsContact CA-OG 3.26Å; H120-S167 WeakPolarHBondContact CA-OG 3.36Å
121L98.8Very high97.3Very high0 Ų040.8 Ų40.80%022%0.222CC..  trans-141111.1167.8177.756.2000108.8V45 F114 I123 L160 K163 L164 S167V45-L121 HydrophobicContact CB-CD1 4.23Å; V45-L121 HydrophobicContact CG2-CD1 3.76Å; F114-L121 HydrophobicContact CE1-CB 4.01Å; F114-L121 HydrophobicContact CE1-CD1 4.41Å; F114-L121 HydrophobicContact CE1-CD2 4.1Å; F114-L121 HydrophobicContact CE1-CG 4.4Å; F114-L121 HydrophobicContact CZ-CB 4.08Å; F114-L121 HydrophobicContact CZ-CD1 3.91Å; F114-L121 HydrophobicContact CZ-CD2 4.42Å; F114-L121 HydrophobicContact CZ-CG 4.35Å; L121-I123 WeakPolarHBondContact CD1-O 3.41Å; L121-L160 HydrophobicContact CD2-CB 3.88Å; L121-L160 HydrophobicContact CD2-CD1 3.88Å; L121-L160 HydrophobicContact CD2-CG 4.33Å; L121-K163 HydrophobicContact CB-CG 3.83Å; L121-L164 HydrophobicContact CB-CD2 4.45Å; L121-L164 HydrophobicContact CB-CG 4.48Å; L121-L164 HydrophobicContact CD2-CD1 4.22Å; L121-L164 HydrophobicContact CD2-CD2 4.06Å; L121-L164 HydrophobicContact CD2-CG 3.83Å; L121-L164 HydrophobicContact CG-CD2 3.77Å; L121-L164 HydrophobicContact CG-CG 4Å; L121-S167 PolarHBondContact N-OG 3.44Å; L121-S167 WeakPolarHBondContact O-CB 3.33Å
122H98.9Very high96.7Very high21 Ų2143 Ų4310%0.09723%0.232CC..  trans-100.3-31.4-173.2-62.692000112.4K42 V43 S170 R171K42-H122 HydrophobicContact CB-CB 4.3Å; K42-H122 HydrophobicContact CD-CB 3.97Å; K42-H122 WeakPolarHBondContact CD-CD2 3.29Å; K42-H122 VanDerWaalsContact CD-CG 3.46Å; K42-H122 WeakPolarHBondContact CD-NE2 3.37Å; K42-H122 PolarHBondContact NZ-CD2 3.47Å; K42-H122 VanDerWaalsContact NZ-CD2 3.26Å; K42-H122 PolarHBondContact NZ-NE2 2.92Å; V43-H122 PolarHBondContact N-ND1 2.74Å; V43-H122 VanDerWaalsContact N-ND1 3.17Å; V43-H122 PolarHBondContact O-N 3.5Å; H122-S170 CarbonylContact O-C 3.48Å; H122-S170 WeakPolarHBondContact O-CA 3.46Å; H122-S170 VanDerWaalsContact O-CB 3.26Å; H122-S170 WeakPolarHBondContact O-CB 3.47Å; H122-R171 PolarHBondContact O-N 3.06Å
123I98.9Very high96Very high9 Ų935.5 Ų35.55%0.04620%0.2CC..EExtended strand (participates in β ladder)trans-138.2128-179.2-54.3174.3000109.2L39 V43 V44 V45 L61 L121 I125 R171 A271L39-I123 HydrophobicContact CD1-CD1 4.29Å; L39-I123 HydrophobicContact CD2-CD1 4.37Å; V43-I123 PolarHBondContact O-N 3.16Å; V44-I123 VanDerWaalsContact CA-O 3.32Å; V44-I123 WeakPolarHBondContact CA-O 3.21Å; V44-I123 HydrophobicContact CB-CB 4.24Å; V44-I123 HydrophobicContact CG1-CB 3.71Å; V44-I123 HydrophobicContact CG1-CG2 3.9Å; V44-I123 HydrophobicContact CG2-CB 3.9Å; V44-I123 HydrophobicContact CG2-CD1 4.04Å; V44-I123 HydrophobicContact CG2-CG1 4.22Å; V45-I123 PolarHBondContact N-O 3.41Å; L61-I123 HydrophobicContact CD2-CD1 4.36Å; L121-I123 WeakPolarHBondContact CD1-O 3.41Å; I123-I125 HydrophobicContact CG2-CD1 3.42Å; I123-I125 VanDerWaalsContact CG2-CD1 3.42Å; I123-I125 HydrophobicContact CG2-CG1 3.96Å; I123-R171 CarbonylContact C-O 3.6Å; I123-R171 WeakPolarHBondContact CA-O 3.33Å; I123-A271 HydrophobicContact CD1-CB 4.41Å; I123-A271 HydrophobicContact CG2-CB 4.09Å
124L98.9Very high95.5Very high0 Ų038.5 Ų38.50%022%0.215CC..EExtended strand (participates in β ladder)trans-116.4115.1169.9176.361.2000109.4V45 L156 T157 L164 R171 I172 V173V45-L124 HydrophobicContact CB-CD1 3.88Å; V45-L124 HydrophobicContact CG1-CD1 3.82Å; L124-L156 HydrophobicContact CD1-CD2 4.28Å; L124-T157 HydrophobicContact CD2-CG2 4.46Å; L124-T157 WeakPolarHBondContact CD2-OG1 3.39Å; L124-L164 HydrophobicContact CB-CD1 4.45Å; L124-L164 HydrophobicContact CB-CD2 4.43Å; L124-L164 HydrophobicContact CD2-CD1 4.23Å; L124-R171 PolarHBondContact N-O 3.44Å; L124-I172 HydrophobicContact CB-CG1 4.49Å; L124-I172 HydrophobicContact CD2-CG2 4.43Å; L124-I172 CarbonylContact O-C 3.57Å; L124-I172 WeakPolarHBondContact O-CA 3.38Å; L124-V173 PolarHBondContact O-N 3.15Å
125I98.9Very high95.3Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-103.4101.7174.4-47.9-59.3000108.8V45 V46 T47 T57 L61 I123 N127 V173 A271V45-I125 PolarHBondContact O-N 2.83Å; V46-I125 HydrophobicContact CB-CB 4.4Å; V46-I125 HydrophobicContact CG1-CB 4.13Å; V46-I125 HydrophobicContact CG1-CG2 4.28Å; V46-I125 HydrophobicContact CG2-CB 4.15Å; V46-I125 HydrophobicContact CG2-CG1 4.03Å; T47-I125 PolarHBondContact N-O 3.21Å; T47-I125 PolarHBondContact OG1-O 2.85Å; T57-I125 HydrophobicContact CG2-CG1 4.3Å; T57-I125 HydrophobicContact CG2-CG2 4.34Å; L61-I125 HydrophobicContact CD1-CG1 4.45Å; I123-I125 HydrophobicContact CG2-CD1 3.42Å; I123-I125 VanDerWaalsContact CG2-CD1 3.42Å; I123-I125 HydrophobicContact CG2-CG1 3.96Å; I125-N127 VanDerWaalsContact C-N 3.28Å; I125-N127 HydrophobicContact CG2-CB 3.78Å; I125-N127 PolarHBondContact O-N 3.3Å; I125-V173 HydrophobicContact CD1-CB 3.68Å; I125-V173 HydrophobicContact CD1-CG2 3.72Å; I125-A271 HydrophobicContact CD1-CB 4.01Å
126N98.9Very high95.1Very high1 Ų141.6 Ų41.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-79.477.2171.1-71.7-26.5000109.2H153 T157 V173 N174 V175N126-H153 HydrophobicContact CB-CB 4.16Å; N126-H153 VanDerWaalsContact CB-CD2 3.47Å; N126-H153 WeakPolarHBondContact CB-CD2 3.36Å; N126-H153 VanDerWaalsContact CG-CD2 3.46Å; N126-H153 PolarHBondContact OD1-CD2 3.25Å; N126-H153 VanDerWaalsContact OD1-CD2 3.24Å; N126-T157 PolarHBondContact ND2-OG1 2.78Å; N126-V173 PolarHBondContact N-O 3.12Å; N126-N174 WeakPolarHBondContact CB-OD1 3.26Å; N126-N174 PolarHBondContact ND2-OD1 2.85Å; N126-V175 PolarHBondContact O-N 3.49Å
127N98.4Very high95Very high19 Ų1941.8 Ų41.810%0.10221%0.212CC..  trans-97.3-33.2-173.5158.389.1000114.1V46 T47 G48 G54 I125 V175V46-N127 HydrophobicContact CG1-CB 4.46Å; T47-N127 WeakPolarHBondContact O-CB 3.38Å; T47-N127 PolarHBondContact O-ND2 3.33Å; T47-N127 PolarHBondContact OG1-N 3.16Å; G48-N127 PolarHBondContact O-ND2 3.1Å; G54-N127 VanDerWaalsContact CA-ND2 3.28Å; G54-N127 WeakPolarHBondContact CA-ND2 3.39Å; G54-N127 PolarHBondContact N-OD1 3.29Å; I125-N127 VanDerWaalsContact C-N 3.28Å; I125-N127 HydrophobicContact CG2-CB 3.78Å; I125-N127 PolarHBondContact O-N 3.3Å; N127-V175 HydrophobicContact CB-CG2 3.93Å
128A95.4Very high95.1Very high15 Ų1538.2 Ų38.212%0.12420%0.197CC..  trans-54.7152.9-173.100000112.5T47 L101 H153T47-A128 PolarHBondContact O-N 3.44Å; T47-A128 WeakPolarHBondContact OG1-CB 3.47Å; T47-A128 PolarHBondContact OG1-N 3.17Å; L101-A128 HydrophobicContact CD1-CB 3.46Å; L101-A128 VanDerWaalsContact CD1-CB 3.46Å; A128-H153 PolarHBondContact O-CE1 2.97Å; A128-H153 VanDerWaalsContact O-CE1 3.22Å
129G93.8Very high95.2Very high23 Ų2340.9 Ų40.924%0.23722%0.223CC..  trans-177163.2170.900000114N149G129-N149 WeakPolarHBondContact CA-OD1 3.48Å
130V92.7Very high95.2Very high19 Ų1935.6 Ų35.612%0.11520%0.202CC..  trans-123.3153175.2-62.40000109.5M144 H145 V148 N149 Y202V130-M144 HydrophobicContact CG2-CG 4.12Å; V130-H145 PolarHBondContact O-CD2 2.92Å; V130-V148 HydrophobicContact CG1-CG1 4.16Å; V130-V148 HydrophobicContact CG2-CB 3.96Å; V130-V148 HydrophobicContact CG2-CG1 4.14Å; V130-V148 HydrophobicContact CG2-CG2 4.38Å; V130-N149 PolarHBondContact N-OD1 2.78Å; V130-N149 PolarHBondContact O-ND2 3.27Å; V130-N149 PolarHBondContact O-OD1 3.19Å; V130-Y202 VanDerWaalsContact O-CD2 3.28Å; V130-Y202 WeakPolarHBondContact O-CD2 3.36Å
131M89.3Confident95.1Very high25 Ų2532.7 Ų32.712%0.12320%0.197CC..  trans-149.7144.1-174.1-179.3179.182.700110.1C133 H145 Y202 L239 V240M131-C133 PolarHBondContact O-N 2.84Å; M131-C133 VanDerWaalsContact O-N 3.14Å; M131-H145 WeakPolarHBondContact CA-NE2 3.4Å; M131-Y202 HydrophobicContact CB-CD2 3.67Å; M131-Y202 HydrophobicContact CB-CE2 3.7Å; M131-Y202 HydrophobicContact CB-CG 4.13Å; M131-Y202 HydrophobicContact CG-CD1 3.74Å; M131-Y202 HydrophobicContact CG-CD2 3.69Å; M131-Y202 HydrophobicContact CG-CE1 3.9Å; M131-Y202 HydrophobicContact CG-CE2 3.84Å; M131-Y202 HydrophobicContact CG-CG 3.62Å; M131-Y202 HydrophobicContact SD-CD1 3.96Å; M131-Y202 HydrophobicContact SD-CE1 3.6Å; M131-Y202 VanDerWaalsContact SD-CE1 3.6Å; M131-Y202 HydrophobicContact SD-CE2 4.24Å; M131-Y202 HydrophobicContact SD-CG 4.42Å; M131-L239 HydrophobicContact CB-CD1 3.52Å; M131-L239 HydrophobicContact CB-CD2 4.19Å; M131-L239 HydrophobicContact CB-CG 3.5Å; M131-L239 HydrophobicContact CE-CB 4.49Å; M131-L239 HydrophobicContact CE-CD2 4.35Å; M131-L239 HydrophobicContact CE-CG 4Å; M131-L239 HydrophobicContact CG-CG 4.28Å; M131-L239 HydrophobicContact SD-CD2 3.84Å; M131-L239 HydrophobicContact SD-CG 3.91Å; M131-V240 HydrophobicContact CE-CB 4.32Å; M131-V240 HydrophobicContact CE-CG1 3.5Å; M131-V240 VanDerWaalsContact CE-CG1 3.5Å
132M85.4Confident95.1Very high51 Ų5133.7 Ų33.725%0.25120%0.202SC..SBendtrans53.928.3179.3-62.8-59.7-74.300113.5H145 A198 G199M132-H145 PolarHBondContact N-NE2 3.31Å; M132-A198 HydrophobicContact SD-CB 4.38Å; M132-G199 WeakPolarHBondContact SD-CA 3.48Å; M132-G199 PolarHBondContact SD-N 3.12Å; M132-G199 VanDerWaalsContact SD-N 3.42Å
133C84.1Confident95Very high7 Ų732.9 Ų32.95%0.04720%0.198CC..PPolyproline II helixtrans-66.4141.4175.4-64.80000110.7M131 M144 H145 Y196 A198M131-C133 PolarHBondContact O-N 2.84Å; M131-C133 VanDerWaalsContact O-N 3.14Å; C133-M144 HydrophobicContact CB-CG 4.22Å; C133-H145 PolarHBondContact N-CE1 2.8Å; C133-H145 PolarHBondContact N-NE2 2.86Å; C133-H145 VanDerWaalsContact N-NE2 3.13Å; C133-Y196 PolarHBondContact O-OH 3.3Å; C133-A198 VanDerWaalsContact O-CB 3.31Å; C133-A198 WeakPolarHBondContact O-CB 3.35Å
134P88.9Confident94.9Very high92 Ų9234 Ų3460%0.59720%0.203SC*.PPolyproline II helixtrans-53.3155.3163.1-22.833.5000110.8S136P134-S136 PolarHBondContact O-N 3.49Å; P134-S136 PolarHBondContact O-OG 3.08Å
135Y93.3Very high94.8Very high94 Ų9434 Ų3437%0.36920%0.203SC..SBendtrans-55.6120.3177.6-175.5-104000109.6K137 E143 Q191 E193 Y196Y135-K137 WeakPolarHBondContact OH-CE 3.31Å; Y135-E143 HydrophobicContact CD2-CG 4.5Å; Y135-E143 HydrophobicContact CE2-CG 4.22Å; Y135-Q191 WeakPolarHBondContact CE2-O 3.3Å; Y135-E193 WeakPolarHBondContact OH-CG 3.45Å; Y135-Y196 HydrophobicContact CD2-CD1 4.14Å; Y135-Y196 AromaticContact CD2-CD2 3.48Å; Y135-Y196 HydrophobicContact CD2-CD2 3.48Å; Y135-Y196 VanDerWaalsContact CD2-CD2 3.48Å; Y135-Y196 HydrophobicContact CD2-CE1 4.43Å; Y135-Y196 AromaticContact CD2-CE2 3.83Å; Y135-Y196 HydrophobicContact CD2-CE2 3.83Å; Y135-Y196 AromaticContact CD2-CG 3.61Å; Y135-Y196 HydrophobicContact CD2-CG 3.61Å; Y135-Y196 HydrophobicContact CE2-CD2 4.19Å; Y135-Y196 HydrophobicContact CG-CD1 4.35Å; Y135-Y196 HydrophobicContact CG-CD2 4.44Å; Y135-Y196 HydrophobicContact CG-CG 4.19Å; Y135-Y196 VanDerWaalsContact N-CE1 3.31Å
136S95.4Very high94.8Very high41 Ų4134.1 Ų34.129%0.28720%0.204SC..  trans-157.3160.5-178.548.50000108.3P134 M144P134-S136 PolarHBondContact O-N 3.49Å; P134-S136 PolarHBondContact O-OG 3.08Å; S136-M144 PolarHBondContact O-N 3.3Å; S136-M144 WeakPolarHBondContact OG-CB 3.45Å
137K97.1Very high94.8Very high92 Ų9234.2 Ų34.240%0.421%0.205SC..BIsolated β-bridgetrans-113.5149.1179.6-68-177170.4-164.60110.8Y135 G141 F142 M144 E193Y135-K137 WeakPolarHBondContact OH-CE 3.31Å; K137-G141 WeakPolarHBondContact CD-O 3.44Å; K137-F142 CarbonylContact C-O 3.56Å; K137-F142 WeakPolarHBondContact CA-O 3.26Å; K137-M144 WeakPolarHBondContact O-CE 3.39Å; K137-E193 IonicContact NZ-OE1 3.17Å; K137-E193 PolarHBondContact NZ-OE1 2.81Å
138T98.2Very high94.7Very high11 Ų1133.9 Ų33.97%0.06720%0.203CC..  trans-65171.8166.964.60000110.4S102 D140 G141 F142 V148S102-T138 VanDerWaalsContact O-CB 3.26Å; S102-T138 WeakPolarHBondContact O-CB 3.24Å; T138-D140 PolarHBondContact O-N 3.07Å; T138-D140 VanDerWaalsContact O-N 3.17Å; T138-D140 PolarHBondContact OG1-N 2.88Å; T138-G141 PolarHBondContact O-N 3.4Å; T138-G141 PolarHBondContact OG1-N 2.83Å; T138-F142 HydrophobicContact CG2-CB 4.31Å; T138-F142 PolarHBondContact N-O 3.29Å; T138-F142 WeakPolarHBondContact OG1-CB 3.22Å; T138-F142 PolarHBondContact OG1-N 2.79Å; T138-F142 PolarHBondContact OG1-O 3.49Å; T138-V148 HydrophobicContact CG2-CG2 4.49Å
139A97.9Very high94.9Very high79 Ų7933.1 Ų33.165%0.65320%0.198SC*.THydrogen-bonded Turntrans-57.6-28.917500000112.4S102 D103S102-A139 WeakPolarHBondContact O-CB 3.47Å; S102-A139 PolarHBondContact O-N 2.96Å; D103-A139 HydrophobicContact CB-CB 3.98Å
140D97.6Very high95.1Very high57 Ų5732.1 Ų32.131%0.30519%0.187SC..THydrogen-bonded Turntrans-90.63.1179-49.1-89.3000113.6D103 T104 T138 F142D103-D140 WeakPolarHBondContact CA-OD2 3.33Å; T104-D140 WeakPolarHBondContact CB-OD1 3.33Å; T104-D140 HydrophobicContact CG2-CB 4.25Å; T104-D140 VanDerWaalsContact CG2-CG 3.4Å; T104-D140 WeakPolarHBondContact CG2-OD1 3.34Å; T104-D140 WeakPolarHBondContact CG2-OD2 3.37Å; T104-D140 PolarHBondContact N-OD2 2.84Å; T104-D140 PolarHBondContact OG1-OD1 3.12Å; T138-D140 PolarHBondContact O-N 3.07Å; T138-D140 VanDerWaalsContact O-N 3.17Å; T138-D140 PolarHBondContact OG1-N 2.88Å; D140-F142 HydrophobicContact CB-CD2 3.98Å; D140-F142 HydrophobicContact CB-CE2 3.62Å; D140-F142 HydrophobicContact CB-CZ 4.14Å
141G96.8Very high95.4Very high31 Ų3131.3 Ų31.332%0.3218%0.182SC..SBendtrans87.88.417500000115.9K137 T138K137-G141 WeakPolarHBondContact CD-O 3.44Å; T138-G141 PolarHBondContact O-N 3.4Å; T138-G141 PolarHBondContact OG1-N 2.83Å
142F97.6Very high95.9Very high20 Ų2030.2 Ų30.29%0.08818%0.177CC..  trans-82.7148.9176.5-50-49.2000111.6T104 K137 T138 D140 M144 L151 Q191 L312 L313T104-F142 HydrophobicContact CG2-CE2 4.43Å; K137-F142 CarbonylContact C-O 3.56Å; K137-F142 WeakPolarHBondContact CA-O 3.26Å; T138-F142 HydrophobicContact CG2-CB 4.31Å; T138-F142 PolarHBondContact N-O 3.29Å; T138-F142 WeakPolarHBondContact OG1-CB 3.22Å; T138-F142 PolarHBondContact OG1-N 2.79Å; T138-F142 PolarHBondContact OG1-O 3.49Å; D140-F142 HydrophobicContact CB-CD2 3.98Å; D140-F142 HydrophobicContact CB-CE2 3.62Å; D140-F142 HydrophobicContact CB-CZ 4.14Å; F142-M144 PolarHBondContact O-N 3.05Å; F142-L151 HydrophobicContact CB-CD1 4.05Å; F142-L151 HydrophobicContact CD1-CD1 4Å; F142-L151 HydrophobicContact CD2-CD1 3.74Å; F142-L151 HydrophobicContact CE1-CD1 4.42Å; F142-L151 HydrophobicContact CE2-CD1 4.19Å; F142-L151 HydrophobicContact CG-CD1 3.64Å; F142-Q191 VanDerWaalsContact CA-OE1 3.27Å; F142-L312 HydrophobicContact CE1-CB 3.98Å; F142-L312 HydrophobicContact CE1-CD2 4.03Å; F142-L312 HydrophobicContact CE1-CG 4.46Å; F142-L312 HydrophobicContact CZ-CB 4.2Å; F142-L312 WeakPolarHBondContact CZ-O 3.41Å; F142-L313 HydrophobicContact CE2-CD2 4.04Å; F142-L313 HydrophobicContact CZ-CD2 4.42Å
143E97.6Very high96.5Very high4 Ų427.9 Ų27.92%0.01917%0.166CC..BIsolated β-bridgetrans-54.5137.5170.2-175.4-74.5136.100110.6Y135 H145 I146 G147 Q191 Y196Y135-E143 HydrophobicContact CD2-CG 4.5Å; Y135-E143 HydrophobicContact CE2-CG 4.22Å; E143-H145 PolarHBondContact O-N 3.43Å; E143-H145 IonicContact OE1-CE1 3.9Å; E143-H145 IonicContact OE1-CG 3.54Å; E143-H145 PolarHBondContact OE1-N 3.36Å; E143-H145 IonicContact OE1-ND1 2.7Å; E143-H145 PolarHBondContact OE1-ND1 2.86Å; E143-H145 WeakPolarHBondContact OE2-CA 3.34Å; E143-H145 WeakPolarHBondContact OE2-CB 3.26Å; E143-H145 PolarHBondContact OE2-N 2.83Å; E143-I146 HydrophobicContact CB-CG2 3.98Å; E143-I146 WeakPolarHBondContact O-CG2 3.37Å; E143-I146 PolarHBondContact O-N 3.22Å; E143-I146 PolarHBondContact OE2-N 2.96Å; E143-G147 WeakPolarHBondContact O-CA 3.49Å; E143-G147 PolarHBondContact O-N 2.9Å; E143-Q191 WeakPolarHBondContact CB-O 3.5Å; E143-Y196 HydrophobicContact CG-CD2 4.49Å; E143-Y196 HydrophobicContact CG-CE2 3.9Å; E143-Y196 WeakPolarHBondContact OE1-CE2 3.5Å; E143-Y196 PolarHBondContact OE1-OH 3.42Å
144M97.4Very high97.2Very high32 Ų3227.6 Ų27.616%0.15816%0.164CC..Hα-helixtrans-55.4-43.6-167.9-172.358.663.800114.7V130 C133 S136 K137 F142 V148V130-M144 HydrophobicContact CG2-CG 4.12Å; C133-M144 HydrophobicContact CB-CG 4.22Å; S136-M144 PolarHBondContact O-N 3.3Å; S136-M144 WeakPolarHBondContact OG-CB 3.45Å; K137-M144 WeakPolarHBondContact O-CE 3.39Å; F142-M144 PolarHBondContact O-N 3.05Å; M144-V148 VanDerWaalsContact O-CB 3.31Å; M144-V148 WeakPolarHBondContact O-CB 3.44Å; M144-V148 WeakPolarHBondContact O-CG2 3.34Å; M144-V148 PolarHBondContact O-N 3.35Å; M144-V148 HydrophobicContact SD-CG2 3.76Å
145H97.1Very high97.7Very high0 Ų023.2 Ų23.20%014%0.135CC..Hα-helixtrans-71.4-50.8-179-61.386.3000112.1V130 M131 M132 C133 E143 G147 N149 Y196 A201V130-H145 PolarHBondContact O-CD2 2.92Å; M131-H145 WeakPolarHBondContact CA-NE2 3.4Å; M132-H145 PolarHBondContact N-NE2 3.31Å; C133-H145 PolarHBondContact N-CE1 2.8Å; C133-H145 PolarHBondContact N-NE2 2.86Å; C133-H145 VanDerWaalsContact N-NE2 3.13Å; E143-H145 PolarHBondContact O-N 3.43Å; E143-H145 IonicContact OE1-CE1 3.9Å; E143-H145 IonicContact OE1-CG 3.54Å; E143-H145 PolarHBondContact OE1-N 3.36Å; E143-H145 IonicContact OE1-ND1 2.7Å; E143-H145 PolarHBondContact OE1-ND1 2.86Å; E143-H145 WeakPolarHBondContact OE2-CA 3.34Å; E143-H145 WeakPolarHBondContact OE2-CB 3.26Å; E143-H145 PolarHBondContact OE2-N 2.83Å; H145-G147 VanDerWaalsContact C-N 3.29Å; H145-G147 PolarHBondContact O-N 3.27Å; H145-N149 WeakPolarHBondContact O-CB 3.43Å; H145-N149 PolarHBondContact O-N 3.37Å; H145-Y196 PolarHBondContact CE1-OH 3.41Å; H145-Y196 PolarHBondContact ND1-OH 2.87Å; H145-Y196 VanDerWaalsContact ND1-OH 3.14Å; H145-A201 HydrophobicContact CB-CB 4.46Å
146I97.6Very high97.9Very high4 Ų418.8 Ų18.82%0.02112%0.118CC..Hα-helixtrans-66.4-36.8179-161.868.6000111E143 H150 L151 L190 A208E143-I146 HydrophobicContact CB-CG2 3.98Å; E143-I146 WeakPolarHBondContact O-CG2 3.37Å; E143-I146 PolarHBondContact O-N 3.22Å; E143-I146 PolarHBondContact OE2-N 2.96Å; I146-H150 HydrophobicContact CD1-CB 3.92Å; I146-H150 HydrophobicContact CG1-CB 4.5Å; I146-H150 WeakPolarHBondContact O-CB 3.47Å; I146-H150 PolarHBondContact O-N 2.87Å; I146-L151 PolarHBondContact O-N 3.04Å; I146-L190 HydrophobicContact CD1-CD1 4.3Å; I146-L190 HydrophobicContact CG1-CD1 4.2Å; I146-L190 HydrophobicContact CG1-CG 4.29Å; I146-A208 HydrophobicContact CD1-CB 3.88Å
147G98.2Very high98.1Very high2 Ų216.9 Ų16.92%0.02110%0.104CC..Iπ-helixtrans-60.7-54.5176.300000112.1E143 H145 G152E143-G147 WeakPolarHBondContact O-CA 3.49Å; E143-G147 PolarHBondContact O-N 2.9Å; H145-G147 VanDerWaalsContact C-N 3.29Å; H145-G147 PolarHBondContact O-N 3.27Å; G147-G152 PolarHBondContact O-N 3.49Å
148V98.1Very high98.2Very high12 Ų1214.3 Ų14.37%0.0739%0.094CC..Iπ-helixtrans-78.9-49.6-176.7172.40000112.7L101 V130 T138 M144L101-V148 HydrophobicContact CB-CG1 4.06Å; V130-V148 HydrophobicContact CG1-CG1 4.16Å; V130-V148 HydrophobicContact CG2-CB 3.96Å; V130-V148 HydrophobicContact CG2-CG1 4.14Å; V130-V148 HydrophobicContact CG2-CG2 4.38Å; T138-V148 HydrophobicContact CG2-CG2 4.49Å; M144-V148 VanDerWaalsContact O-CB 3.31Å; M144-V148 WeakPolarHBondContact O-CB 3.44Å; M144-V148 WeakPolarHBondContact O-CG2 3.34Å; M144-V148 PolarHBondContact O-N 3.35Å; M144-V148 HydrophobicContact SD-CG2 3.76Å
149N98.3Very high98.2Very high0 Ų016 Ų160%010%0.102CC..Iπ-helixtrans-76.6-30.2-168-61-14.6000112.4G129 V130 H145 H153 S205 N209G129-N149 WeakPolarHBondContact CA-OD1 3.48Å; V130-N149 PolarHBondContact N-OD1 2.78Å; V130-N149 PolarHBondContact O-ND2 3.27Å; V130-N149 PolarHBondContact O-OD1 3.19Å; H145-N149 WeakPolarHBondContact O-CB 3.43Å; H145-N149 PolarHBondContact O-N 3.37Å; N149-H153 PolarHBondContact O-ND1 2.98Å; N149-S205 PolarHBondContact ND2-OG 3.43Å; N149-N209 PolarHBondContact O-ND2 3.18Å; N149-N209 PolarHBondContact O-OD1 3.5Å; N149-N209 VanDerWaalsContact O-OD1 3.04Å
150H98.7Very high98.2Very high2 Ų212.3 Ų12.31%0.0097%0.071CC..Iπ-helixtrans-116.3-67.4-175.5175.467.7000112.3I146 G152 H153 F154 A208 S309I146-H150 HydrophobicContact CD1-CB 3.92Å; I146-H150 HydrophobicContact CG1-CB 4.5Å; I146-H150 WeakPolarHBondContact O-CB 3.47Å; I146-H150 PolarHBondContact O-N 2.87Å; H150-G152 VanDerWaalsContact C-N 3.34Å; H150-G152 PolarHBondContact O-N 2.57Å; H150-H153 PolarHBondContact O-N 3.36Å; H150-H153 VanDerWaalsContact O-N 3.13Å; H150-F154 WeakPolarHBondContact O-CB 3.38Å; H150-F154 PolarHBondContact O-N 2.85Å; H150-A208 HydrophobicContact CB-CB 3.93Å; H150-S309 PolarHBondContact NE2-OG 2.83Å
151L98.8Very high98.3Very high1 Ų110.1 Ų10.11%0.0056%0.059CC..Iπ-helixtrans-61.1-39.7-171.9-66.8174.4000112.9F142 I146 F154 L155 L312 L313F142-L151 HydrophobicContact CB-CD1 4.05Å; F142-L151 HydrophobicContact CD1-CD1 4Å; F142-L151 HydrophobicContact CD2-CD1 3.74Å; F142-L151 HydrophobicContact CE1-CD1 4.42Å; F142-L151 HydrophobicContact CE2-CD1 4.19Å; F142-L151 HydrophobicContact CG-CD1 3.64Å; I146-L151 PolarHBondContact O-N 3.04Å; L151-F154 WeakPolarHBondContact O-CB 3.37Å; L151-F154 PolarHBondContact O-N 3.01Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 PolarHBondContact O-N 3.33Å; L151-L312 HydrophobicContact CD1-CD1 4.17Å; L151-L312 HydrophobicContact CD2-CD1 4.34Å; L151-L313 HydrophobicContact CB-CD2 4.48Å; L151-L313 HydrophobicContact CD2-CD1 4.29Å
152G98.8Very high98.3Very high3 Ų313.9 Ų13.93%0.0317%0.069CC..Hα-helixtrans-63.4-42.317700000112.4L101 G147 H150 L156L101-G152 VanDerWaalsContact CD2-C 3.48Å; G147-G152 PolarHBondContact O-N 3.49Å; H150-G152 VanDerWaalsContact C-N 3.34Å; H150-G152 PolarHBondContact O-N 2.57Å; G152-L156 WeakPolarHBondContact O-CB 3.17Å; G152-L156 PolarHBondContact O-N 3.47Å
153H98.9Very high98.4Very high2 Ų214.6 Ų14.61%0.0097%0.072CC..Hα-helixtrans-71.5-37.4174.7-72.8125.7000112.6T47 L101 N126 A128 N149 H150 L155 L156 T157T47-H153 PolarHBondContact OG1-NE2 3.34Å; L101-H153 VanDerWaalsContact CD1-NE2 3.35Å; L101-H153 WeakPolarHBondContact CD1-NE2 3.48Å; N126-H153 HydrophobicContact CB-CB 4.16Å; N126-H153 VanDerWaalsContact CB-CD2 3.47Å; N126-H153 WeakPolarHBondContact CB-CD2 3.36Å; N126-H153 VanDerWaalsContact CG-CD2 3.46Å; N126-H153 PolarHBondContact OD1-CD2 3.25Å; N126-H153 VanDerWaalsContact OD1-CD2 3.24Å; A128-H153 PolarHBondContact O-CE1 2.97Å; A128-H153 VanDerWaalsContact O-CE1 3.22Å; N149-H153 PolarHBondContact O-ND1 2.98Å; H150-H153 PolarHBondContact O-N 3.36Å; H150-H153 VanDerWaalsContact O-N 3.13Å; H153-L155 VanDerWaalsContact C-N 3.35Å; H153-L156 PolarHBondContact O-N 3.06Å; H153-T157 WeakPolarHBondContact O-CB 3.43Å; H153-T157 PolarHBondContact O-N 2.99Å; H153-T157 PolarHBondContact O-OG1 3.13Å
154F98.9Very high98.4Very high1 Ų114.4 Ų14.40%0.0047%0.071CC..Hα-helixtrans-57-51174.5-174.6-80000110.1H150 L151 T157 H158 F212 W306 L313 L315H150-F154 WeakPolarHBondContact O-CB 3.38Å; H150-F154 PolarHBondContact O-N 2.85Å; L151-F154 WeakPolarHBondContact O-CB 3.37Å; L151-F154 PolarHBondContact O-N 3.01Å; F154-T157 PolarHBondContact O-N 2.86Å; F154-H158 WeakPolarHBondContact O-CB 3.35Å; F154-H158 PolarHBondContact O-N 3.3Å; F154-F212 AromaticContact CD2-CD2 3.44Å; F154-F212 HydrophobicContact CD2-CD2 3.44Å; F154-F212 VanDerWaalsContact CD2-CD2 3.44Å; F154-F212 AromaticContact CD2-CE2 3.35Å; F154-F212 HydrophobicContact CD2-CE2 3.35Å; F154-F212 HydrophobicContact CD2-CG 4.32Å; F154-F212 HydrophobicContact CD2-CZ 4.18Å; F154-F212 AromaticContact CE2-CD2 3.79Å; F154-F212 HydrophobicContact CE2-CD2 3.79Å; F154-F212 AromaticContact CE2-CE2 3.72Å; F154-F212 HydrophobicContact CE2-CE2 3.72Å; F154-F212 HydrophobicContact CG-CE2 4.18Å; F154-W306 AromaticContact CE2-CD2 3.69Å; F154-W306 HydrophobicContact CE2-CD2 3.69Å; F154-W306 AromaticContact CE2-CE3 3.59Å; F154-W306 HydrophobicContact CE2-CE3 3.59Å; F154-W306 HydrophobicContact CE2-CG 4.16Å; F154-W306 HydrophobicContact CE2-CH2 4.42Å; F154-W306 AromaticContact CE2-CZ3 3.98Å; F154-W306 HydrophobicContact CE2-CZ3 3.98Å; F154-W306 AromaticContact CZ-CD2 3.78Å; F154-W306 HydrophobicContact CZ-CD2 3.78Å; F154-W306 AromaticContact CZ-CE2 3.83Å; F154-W306 HydrophobicContact CZ-CE3 4.11Å; F154-W306 HydrophobicContact CZ-CG 4.12Å; F154-W306 HydrophobicContact CZ-CH2 4.5Å; F154-W306 HydrophobicContact CZ-CZ2 4.2Å; F154-W306 HydrophobicContact CZ-CZ3 4.46Å; F154-L313 HydrophobicContact CB-CD1 4.36Å; F154-L313 HydrophobicContact CD1-CD1 3.53Å; F154-L313 HydrophobicContact CE1-CD1 4.28Å; F154-L313 HydrophobicContact CG-CD1 4.31Å; F154-L315 HydrophobicContact CD1-CD1 4.14Å; F154-L315 HydrophobicContact CE1-CD1 3.88Å
155L98.9Very high98.5Very high0 Ų016.3 Ų16.30%08%0.078CC..Hα-helixtrans-60.4-48.2176.4-179.859000111.5T104 I107 R108 L151 H153 T157 H158 L159 L313 L315T104-L155 HydrophobicContact CG2-CD2 3.75Å; I107-L155 HydrophobicContact CB-CD2 3.97Å; I107-L155 HydrophobicContact CB-CG 4.46Å; I107-L155 HydrophobicContact CD1-CD2 4.07Å; I107-L155 HydrophobicContact CG2-CB 4.23Å; I107-L155 HydrophobicContact CG2-CD2 3.88Å; I107-L155 HydrophobicContact CG2-CG 3.81Å; R108-L155 HydrophobicContact CG-CD2 4.46Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 PolarHBondContact O-N 3.33Å; H153-L155 VanDerWaalsContact C-N 3.35Å; L155-T157 PolarHBondContact O-N 2.97Å; L155-H158 PolarHBondContact O-N 3.16Å; L155-L159 HydrophobicContact CD1-CD1 3.85Å; L155-L159 HydrophobicContact CD1-CD2 4.45Å; L155-L159 HydrophobicContact CD1-CG 3.96Å; L155-L159 HydrophobicContact CG-CD1 3.84Å; L155-L159 HydrophobicContact CG-CG 4.36Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.78Å; L155-L313 HydrophobicContact CB-CD1 3.95Å; L155-L313 HydrophobicContact CB-CD2 4.26Å; L155-L313 HydrophobicContact CD2-CD2 4.32Å; L155-L315 HydrophobicContact CD1-CD1 4.02Å; L155-L315 HydrophobicContact CD1-CD2 3.89Å; L155-L315 HydrophobicContact CD1-CG 4.33Å
156L98.9Very high98.6Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-57.5-48.4179.3179.165.6000111.7T47 L99 I107 F110 L124 G152 H153 L159 L160T47-L156 HydrophobicContact CG2-CD2 3.51Å; L99-L156 HydrophobicContact CD2-CD2 3.92Å; I107-L156 HydrophobicContact CG2-CB 3.96Å; I107-L156 HydrophobicContact CG2-CD1 4.29Å; F110-L156 HydrophobicContact CD1-CD1 3.57Å; F110-L156 HydrophobicContact CE1-CD1 3.76Å; L124-L156 HydrophobicContact CD1-CD2 4.28Å; G152-L156 WeakPolarHBondContact O-CB 3.17Å; G152-L156 PolarHBondContact O-N 3.47Å; H153-L156 PolarHBondContact O-N 3.06Å; L156-L159 PolarHBondContact O-N 2.83Å; L156-L160 HydrophobicContact CD1-CD1 3.69Å; L156-L160 HydrophobicContact CD1-CG 4.32Å; L156-L160 HydrophobicContact CG-CD1 4.05Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 WeakPolarHBondContact O-CG 3.18Å; L156-L160 PolarHBondContact O-N 2.94Å; L156-L160 VanDerWaalsContact O-N 3.13Å
157T98.8Very high98.6Very high1 Ų122.6 Ų22.61%0.00611%0.108CC..Hα-helixtrans-64.1-43.3179-67.40000111.4L124 N126 H153 F154 L155 L159 L160 L161 I172 F212 L216L124-T157 HydrophobicContact CD2-CG2 4.46Å; L124-T157 WeakPolarHBondContact CD2-OG1 3.39Å; N126-T157 PolarHBondContact ND2-OG1 2.78Å; H153-T157 WeakPolarHBondContact O-CB 3.43Å; H153-T157 PolarHBondContact O-N 2.99Å; H153-T157 PolarHBondContact O-OG1 3.13Å; F154-T157 PolarHBondContact O-N 2.86Å; L155-T157 PolarHBondContact O-N 2.97Å; T157-L159 PolarHBondContact O-N 2.94Å; T157-L160 CarbonylContact O-C 3.46Å; T157-L160 PolarHBondContact O-N 3.43Å; T157-L161 HydrophobicContact CG2-CD1 4.42Å; T157-L161 WeakPolarHBondContact O-CA 3.33Å; T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 PolarHBondContact O-N 2.99Å; T157-I172 HydrophobicContact CG2-CD1 3.9Å; T157-F212 HydrophobicContact CG2-CZ 3.86Å; T157-L216 HydrophobicContact CG2-CD1 4.49Å; T157-L216 HydrophobicContact CG2-CD2 3.87Å
158H98.5Very high98.6Very high38 Ų3824.6 Ų24.618%0.17612%0.124CC..Hα-helixtrans-60.2-44.6177.3-172.993.6000111.6F154 L155 L160 L161 L315 D318F154-H158 WeakPolarHBondContact O-CB 3.35Å; F154-H158 PolarHBondContact O-N 3.3Å; L155-H158 PolarHBondContact O-N 3.16Å; H158-L160 VanDerWaalsContact C-N 3.29Å; H158-L160 PolarHBondContact O-N 2.85Å; H158-L161 WeakPolarHBondContact O-CB 3.47Å; H158-L161 PolarHBondContact O-N 2.97Å; H158-L315 HydrophobicContact CB-CD1 4.08Å; H158-D318 IonicContact CE1-OD2 3.92Å
159L98.8Very high98.5Very high48 Ų4828.6 Ų28.625%0.25115%0.15SC..Hα-helixtrans-67.7-26.3179.2-67.3170.9000114I107 R108 A111 L155 L156 T157I107-L159 HydrophobicContact CG2-CD1 4.14Å; R108-L159 HydrophobicContact CB-CD1 4.47Å; R108-L159 HydrophobicContact CG-CD1 3.86Å; A111-L159 HydrophobicContact CB-CB 3.74Å; A111-L159 HydrophobicContact CB-CD1 3.87Å; A111-L159 HydrophobicContact CB-CG 4.43Å; L155-L159 HydrophobicContact CD1-CD1 3.85Å; L155-L159 HydrophobicContact CD1-CD2 4.45Å; L155-L159 HydrophobicContact CD1-CG 3.96Å; L155-L159 HydrophobicContact CG-CD1 3.84Å; L155-L159 HydrophobicContact CG-CG 4.36Å; L155-L159 WeakPolarHBondContact O-CB 3.43Å; L155-L159 VanDerWaalsContact O-CG 3.24Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.78Å; L156-L159 PolarHBondContact O-N 2.83Å; T157-L159 PolarHBondContact O-N 2.94Å
160L98.8Very high98.6Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-100.11.2-179.8-63.3178.3000112.9F110 A111 F114 L115 L121 L156 T157 H158 E162 K163 L164F110-L160 HydrophobicContact CE1-CD1 4.37Å; A111-L160 HydrophobicContact CB-CD2 4.13Å; F114-L160 HydrophobicContact CD1-CD2 3.75Å; F114-L160 HydrophobicContact CE1-CD2 4.34Å; L115-L160 HydrophobicContact CD1-CD2 4.37Å; L115-L160 HydrophobicContact CD2-CD2 4.05Å; L115-L160 HydrophobicContact CG-CD2 4.01Å; L121-L160 HydrophobicContact CD2-CB 3.88Å; L121-L160 HydrophobicContact CD2-CD1 3.88Å; L121-L160 HydrophobicContact CD2-CG 4.33Å; L156-L160 HydrophobicContact CD1-CD1 3.69Å; L156-L160 HydrophobicContact CD1-CG 4.32Å; L156-L160 HydrophobicContact CG-CD1 4.05Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 WeakPolarHBondContact O-CG 3.18Å; L156-L160 PolarHBondContact O-N 2.94Å; L156-L160 VanDerWaalsContact O-N 3.13Å; T157-L160 CarbonylContact O-C 3.46Å; T157-L160 PolarHBondContact O-N 3.43Å; H158-L160 VanDerWaalsContact C-N 3.29Å; H158-L160 PolarHBondContact O-N 2.85Å; L160-E162 PolarHBondContact O-N 3.4Å; L160-K163 PolarHBondContact O-N 3.2Å; L160-L164 PolarHBondContact O-N 3.31Å
161L98.3Very high98.6Very high11 Ų1129.7 Ų29.76%0.05816%0.155CC..Hα-helixtrans-65.4-45.6-167.3-165.360.3000112.7T157 H158 K163 L164 K165 I172 L216 L220T157-L161 HydrophobicContact CG2-CD1 4.42Å; T157-L161 WeakPolarHBondContact O-CA 3.33Å; T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 PolarHBondContact O-N 2.99Å; H158-L161 WeakPolarHBondContact O-CB 3.47Å; H158-L161 PolarHBondContact O-N 2.97Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.32Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L161-K165 WeakPolarHBondContact O-CG 3.34Å; L161-K165 PolarHBondContact O-N 2.75Å; L161-I172 HydrophobicContact CD1-CD1 4.31Å; L161-L216 HydrophobicContact CD1-CD1 4.31Å; L161-L220 HydrophobicContact CD1-CD1 4.07Å; L161-L220 HydrophobicContact CD1-CD2 3.91Å; L161-L220 HydrophobicContact CD2-CD2 4.3Å; L161-L220 HydrophobicContact CG-CD2 4.27Å
162E98.1Very high98.6Very high111 Ų11129.7 Ų29.752%0.51916%0.155SC..Hα-helixtrans-62.3-39.8178.2-65-49.8116.700111.3L160 L164 K165 E166L160-E162 PolarHBondContact O-N 3.4Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 3.32Å; E162-K165 WeakPolarHBondContact O-CB 3.33Å; E162-K165 PolarHBondContact O-N 3.3Å; E162-K165 VanDerWaalsContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 2.78Å; E162-K165 PolarHBondContact OE1-NZ 2.84Å; E162-K165 IonicContact OE2-NZ 4Å; E162-E166 WeakPolarHBondContact O-CG 3.46Å; E162-E166 PolarHBondContact O-N 3.01Å
163K98.6Very high98.6Very high35 Ų3529.5 Ų29.515%0.15215%0.153CC..Hα-helixtrans-64-36.9175.9-1755661-1660112.4L115 K119 L121 L160 L161 E166 S167L115-K163 HydrophobicContact CD2-CB 3.6Å; L115-K163 HydrophobicContact CD2-CD 4.46Å; L115-K163 HydrophobicContact CD2-CG 3.81Å; K119-K163 WeakPolarHBondContact O-CD 3.34Å; K119-K163 PolarHBondContact O-NZ 3.24Å; L121-K163 HydrophobicContact CB-CG 3.83Å; L160-K163 PolarHBondContact O-N 3.2Å; L161-K163 VanDerWaalsContact C-N 3.29Å; L161-K163 PolarHBondContact O-N 3.32Å; K163-E166 WeakPolarHBondContact CE-OE2 3.41Å; K163-E166 IonicContact NZ-OE2 3.13Å; K163-E166 PolarHBondContact NZ-OE2 3.22Å; K163-S167 VanDerWaalsContact O-CB 3.29Å; K163-S167 WeakPolarHBondContact O-CB 3.39Å; K163-S167 PolarHBondContact O-N 3.03Å; K163-S167 VanDerWaalsContact O-N 3.11Å; K163-S167 PolarHBondContact O-OG 3.04Å
164L98.8Very high98.6Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-64.3-41.7172.9-78.1154000111.5L121 L124 L160 L161 E162 S167 A168 S170 I172 V225L121-L164 HydrophobicContact CB-CD2 4.45Å; L121-L164 HydrophobicContact CB-CG 4.48Å; L121-L164 HydrophobicContact CD2-CD1 4.22Å; L121-L164 HydrophobicContact CD2-CD2 4.06Å; L121-L164 HydrophobicContact CD2-CG 3.83Å; L121-L164 HydrophobicContact CG-CD2 3.77Å; L121-L164 HydrophobicContact CG-CG 4Å; L124-L164 HydrophobicContact CB-CD1 4.45Å; L124-L164 HydrophobicContact CB-CD2 4.43Å; L124-L164 HydrophobicContact CD2-CD1 4.23Å; L160-L164 PolarHBondContact O-N 3.31Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-L164 VanDerWaalsContact O-N 3.16Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 3.32Å; L164-S167 CarbonylContact O-C 3.59Å; L164-S167 PolarHBondContact O-N 2.93Å; L164-A168 PolarHBondContact O-N 3.26Å; L164-S170 WeakPolarHBondContact O-CB 3.4Å; L164-S170 PolarHBondContact O-OG 2.91Å; L164-I172 HydrophobicContact CD1-CD1 3.85Å; L164-I172 HydrophobicContact CD1-CG1 3.9Å; L164-I172 HydrophobicContact CD2-CG1 4.34Å; L164-V225 HydrophobicContact CB-CG1 4.37Å; L164-V225 HydrophobicContact CB-CG2 4.4Å
165K98.6Very high98.5Very high72 Ų7229.8 Ų29.831%0.31316%0.155SC..Hα-helixtrans-64.5-46.6176.4-67.6172.7-178.3167.60111.8L161 E162 S167 A168 L220 V225L161-K165 WeakPolarHBondContact O-CG 3.34Å; L161-K165 PolarHBondContact O-N 2.75Å; E162-K165 WeakPolarHBondContact O-CB 3.33Å; E162-K165 PolarHBondContact O-N 3.3Å; E162-K165 VanDerWaalsContact O-N 3.13Å; E162-K165 IonicContact OE1-NZ 2.78Å; E162-K165 PolarHBondContact OE1-NZ 2.84Å; E162-K165 IonicContact OE2-NZ 4Å; K165-S167 PolarHBondContact O-N 2.87Å; K165-A168 VanDerWaalsContact O-CB 3.24Å; K165-A168 WeakPolarHBondContact O-CB 3.35Å; K165-A168 PolarHBondContact O-N 3.22Å; K165-A168 VanDerWaalsContact O-N 3.12Å; K165-L220 HydrophobicContact CG-CD2 4.5Å; K165-V225 HydrophobicContact CB-CG2 4.31Å; K165-V225 HydrophobicContact CG-CG2 3.88Å
166E98.4Very high98.4Very high131 Ų13129.9 Ų29.961%0.61216%0.156SC*.Hα-helixtrans-61.3-25.4175.6-71.6173.1-177.900113E162 K163E162-E166 WeakPolarHBondContact O-CG 3.46Å; E162-E166 PolarHBondContact O-N 3.01Å; K163-E166 WeakPolarHBondContact CE-OE2 3.41Å; K163-E166 IonicContact NZ-OE2 3.13Å; K163-E166 PolarHBondContact NZ-OE2 3.22Å
167S98.5Very high98Very high5 Ų530.8 Ų30.84%0.03516%0.162CC..THydrogen-bonded Turntrans-98.211.6-179.8-51.90000113.1H120 L121 K163 L164 K165 P169H120-S167 VanDerWaalsContact CA-OG 3.26Å; H120-S167 WeakPolarHBondContact CA-OG 3.36Å; L121-S167 PolarHBondContact N-OG 3.44Å; L121-S167 WeakPolarHBondContact O-CB 3.33Å; K163-S167 VanDerWaalsContact O-CB 3.29Å; K163-S167 WeakPolarHBondContact O-CB 3.39Å; K163-S167 PolarHBondContact O-N 3.03Å; K163-S167 VanDerWaalsContact O-N 3.11Å; K163-S167 PolarHBondContact O-OG 3.04Å; L164-S167 CarbonylContact O-C 3.59Å; L164-S167 PolarHBondContact O-N 2.93Å; K165-S167 PolarHBondContact O-N 2.87Å; S167-P169 CarbonylContact O-C 3.55Å
168A97.3Very high97.4Very high43 Ų4335 Ų3536%0.35518%0.184SC..  trans-56.7141-178.900000111.5L164 K165L164-A168 PolarHBondContact O-N 3.26Å; K165-A168 VanDerWaalsContact O-CB 3.24Å; K165-A168 WeakPolarHBondContact O-CB 3.35Å; K165-A168 PolarHBondContact O-N 3.22Å; K165-A168 VanDerWaalsContact O-N 3.12Å
169P97.7Very high96.9Very high96 Ų9634.1 Ų34.162%0.62318%0.184SC*.SBendcis-72.1131.81.329.9-34.8000112.5S167 G224S167-P169 CarbonylContact O-C 3.55Å; P169-G224 WeakPolarHBondContact CA-O 3.39Å
170S98.6Very high96.5Very high3 Ų331.9 Ų31.92%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-139.2160.2179.870.30000111.9H122 L164 G224 V225 T226H122-S170 CarbonylContact O-C 3.48Å; H122-S170 WeakPolarHBondContact O-CA 3.46Å; H122-S170 VanDerWaalsContact O-CB 3.26Å; H122-S170 WeakPolarHBondContact O-CB 3.47Å; L164-S170 WeakPolarHBondContact O-CB 3.4Å; L164-S170 PolarHBondContact O-OG 2.91Å; S170-G224 PolarHBondContact N-O 2.99Å; S170-V225 WeakPolarHBondContact O-CA 3.36Å; S170-V225 WeakPolarHBondContact OG-CG2 3.39Å; S170-T226 PolarHBondContact O-N 3.3Å
171R98.8Very high96.1Very high23 Ų2336.2 Ų36.29%0.08719%0.192CC..EExtended strand (participates in β ladder)trans-134.3139.9-169.8-56-167.8175.9-172.53.6112.7H122 I123 L124 T226 C270 A271 T273 E277H122-R171 PolarHBondContact O-N 3.06Å; I123-R171 CarbonylContact C-O 3.6Å; I123-R171 WeakPolarHBondContact CA-O 3.33Å; L124-R171 PolarHBondContact N-O 3.44Å; R171-T226 CarbonylContact C-O 3.49Å; R171-T226 WeakPolarHBondContact CA-O 3.21Å; R171-C270 WeakPolarHBondContact CD-O 3.39Å; R171-C270 PolarHBondContact NH1-O 2.78Å; R171-A271 WeakPolarHBondContact CD-O 3.48Å; R171-T273 VanDerWaalsContact CZ-O 3.22Å; R171-T273 PolarHBondContact NH1-O 3.02Å; R171-T273 PolarHBondContact NH2-O 3.05Å; R171-E277 IonicContact CZ-OE1 2.67Å; R171-E277 IonicContact NE-OE1 3.75Å; R171-E277 IonicContact NH2-OE1 3.92Å; R171-E277 PolarHBondContact NH2-OE1 3.22Å
172I98.9Very high95.8Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-118.5125.3174.4-54.1168.1000108.2L124 T157 L161 L164 L216 L220 V225 T226 T227 Y228L124-I172 HydrophobicContact CB-CG1 4.49Å; L124-I172 HydrophobicContact CD2-CG2 4.43Å; L124-I172 CarbonylContact O-C 3.57Å; L124-I172 WeakPolarHBondContact O-CA 3.38Å; T157-I172 HydrophobicContact CG2-CD1 3.9Å; L161-I172 HydrophobicContact CD1-CD1 4.31Å; L164-I172 HydrophobicContact CD1-CD1 3.85Å; L164-I172 HydrophobicContact CD1-CG1 3.9Å; L164-I172 HydrophobicContact CD2-CG1 4.34Å; I172-L216 HydrophobicContact CD1-CD2 3.67Å; I172-L216 HydrophobicContact CG2-CD2 4.36Å; I172-L220 HydrophobicContact CD1-CD1 4.18Å; I172-V225 HydrophobicContact CD1-CG1 3.94Å; I172-V225 HydrophobicContact CG1-CG1 4.21Å; I172-T226 PolarHBondContact N-O 3.29Å; I172-T227 HydrophobicContact CB-CG2 4.42Å; I172-T227 HydrophobicContact CD1-CG2 4.3Å; I172-T227 CarbonylContact O-C 3.59Å; I172-T227 VanDerWaalsContact O-CA 3.26Å; I172-T227 WeakPolarHBondContact O-CA 3.41Å; I172-Y228 PolarHBondContact O-N 3.02Å
173V98.9Very high95.6Very high0 Ų036.3 Ų36.30%020%0.196CC..EExtended strand (participates in β ladder)trans-119.7118178.4-176.30000109.4L124 I125 N126 Y228 V230 C270 A271L124-V173 PolarHBondContact O-N 3.15Å; I125-V173 HydrophobicContact CD1-CB 3.68Å; I125-V173 HydrophobicContact CD1-CG2 3.72Å; N126-V173 PolarHBondContact N-O 3.12Å; V173-Y228 CarbonylContact C-O 3.52Å; V173-Y228 WeakPolarHBondContact CA-O 3.33Å; V173-V230 HydrophobicContact CG1-CG1 3.76Å; V173-V230 HydrophobicContact CG1-CG2 4.01Å; V173-C270 HydrophobicContact CG1-CB 4.32Å; V173-C270 HydrophobicContact CG2-CB 3.94Å; V173-A271 HydrophobicContact CG2-CB 4.34Å
174N98.9Very high95.5Very high2 Ų241.9 Ų41.91%0.01122%0.216CC..EExtended strand (participates in β ladder)trans-103.4116.1-179.5-64.8-48.6000110.9N126 S176 T213 Y228 S229 V230N126-N174 WeakPolarHBondContact CB-OD1 3.26Å; N126-N174 PolarHBondContact ND2-OD1 2.85Å; N174-S176 PolarHBondContact O-N 3.38Å; N174-T213 WeakPolarHBondContact CB-OG1 3.04Å; N174-T213 PolarHBondContact ND2-OG1 3.45Å; N174-Y228 PolarHBondContact N-O 3.09Å; N174-S229 CarbonylContact O-C 3.59Å; N174-S229 VanDerWaalsContact O-CA 3.24Å; N174-S229 WeakPolarHBondContact O-CA 3.25Å; N174-V230 PolarHBondContact O-N 2.92Å
175V98.3Very high95.3Very high7 Ų742.5 Ų42.54%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-78.9113.6179.6-179.20000110.7N126 N127 K206 N209 V230 P232N126-V175 PolarHBondContact O-N 3.49Å; N127-V175 HydrophobicContact CB-CG2 3.93Å; V175-K206 PolarHBondContact O-NZ 3.24Å; V175-N209 PolarHBondContact O-ND2 3.22Å; V175-V230 HydrophobicContact CB-CG2 4.35Å; V175-V230 HydrophobicContact CG2-CG2 3.87Å; V175-P232 HydrophobicContact CG1-CG 4.23Å
176S96.1Very high95Very high2 Ų242.2 Ų42.21%0.01422%0.219CC..  trans-105.3-154.3173.4-173.60000110.7N174 K206 I210 V230N174-S176 PolarHBondContact O-N 3.38Å; S176-K206 PolarHBondContact OG-O 3.49Å; S176-I210 WeakPolarHBondContact OG-CG1 3.34Å; S176-V230 CarbonylContact C-O 3.42Å; S176-V230 WeakPolarHBondContact CA-O 3.45Å; S176-V230 PolarHBondContact N-O 2.94Å
177S90Very high94.8Very high19 Ų1938 Ų3813%0.13320%0.199CC..  trans-162.9155.7-176.6-178.20000111.2A179 H180 H231S177-A179 PolarHBondContact O-N 2.93Å; S177-A179 VanDerWaalsContact O-N 3.09Å; S177-A179 PolarHBondContact OG-N 3.12Å; S177-H180 WeakPolarHBondContact O-CB 3.16Å; S177-H180 PolarHBondContact O-N 3.07Å; S177-H180 PolarHBondContact O-ND1 2.97Å; S177-H231 WeakPolarHBondContact CA-ND1 2.78Å
178L87.4Confident94.4Very high89 Ų8944.7 Ų44.747%0.46623%0.229SC..G310 helixtrans-53.1-24.9164.3-78.7169.9000113.1H180 H181 H231L178-H180 PolarHBondContact O-N 3.28Å; L178-H181 PolarHBondContact O-CD2 3.41Å; L178-H181 PolarHBondContact O-N 3.31Å; L178-H181 VanDerWaalsContact O-N 3.08Å; L178-H231 VanDerWaalsContact CD1-NE2 3.25Å; L178-H231 WeakPolarHBondContact CD1-NE2 3.5Å; L178-H231 VanDerWaalsContact CG-NE2 3.33Å; L178-H231 WeakPolarHBondContact CG-NE2 3.33Å; L178-H231 PolarHBondContact N-ND1 3.48Å
179A86.8Confident94.1Very high20 Ų2044.4 Ų44.417%0.16522%0.221CC..G310 helixtrans-53.3-24.317300000113.3S177 H181 L182 G183 Y202 C203S177-A179 PolarHBondContact O-N 2.93Å; S177-A179 VanDerWaalsContact O-N 3.09Å; S177-A179 PolarHBondContact OG-N 3.12Å; A179-H181 PolarHBondContact O-N 3.47Å; A179-H181 VanDerWaalsContact O-N 3.13Å; A179-L182 PolarHBondContact O-N 3.47Å; A179-L182 VanDerWaalsContact O-N 3.09Å; A179-G183 PolarHBondContact O-N 3.48Å; A179-Y202 HydrophobicContact CB-CD1 3.9Å; A179-Y202 HydrophobicContact CB-CE1 3.69Å; A179-C203 HydrophobicContact CB-CB 4.46Å; A179-C203 WeakPolarHBondContact O-CB 3.46Å; A179-C203 PolarHBondContact O-SG 3.32Å; A179-C203 VanDerWaalsContact O-SG 3.34Å
180H91.4Very high93.8Very high1 Ų141 Ų411%0.00520%0.198CC..G310 helixtrans-58.7-24.9177.385.7-88.1000113.6S177 L178 L182 G183 K206 L207 I210 S293S177-H180 WeakPolarHBondContact O-CB 3.16Å; S177-H180 PolarHBondContact O-N 3.07Å; S177-H180 PolarHBondContact O-ND1 2.97Å; L178-H180 PolarHBondContact O-N 3.28Å; H180-L182 PolarHBondContact O-N 2.75Å; H180-G183 PolarHBondContact O-N 3.03Å; H180-K206 HydrophobicContact CB-CB 4.44Å; H180-L207 HydrophobicContact CB-CB 4.24Å; H180-I210 HydrophobicContact CB-CD1 3.82Å; H180-I210 VanDerWaalsContact CD2-CD1 3.4Å; H180-I210 WeakPolarHBondContact CD2-CD1 3.47Å; H180-S293 PolarHBondContact NE2-N 2.72Å
181H90.5Very high93.4Very high91 Ų9142.4 Ų42.442%0.42120%0.204SC..G310 helixtrans-63.5-28.1177.7-75.5-76.2000112.9L178 A179L178-H181 PolarHBondContact O-CD2 3.41Å; L178-H181 PolarHBondContact O-N 3.31Å; L178-H181 VanDerWaalsContact O-N 3.08Å; A179-H181 PolarHBondContact O-N 3.47Å; A179-H181 VanDerWaalsContact O-N 3.13Å
182L91.7Very high92.8Very high121 Ų12142 Ų4263%0.63421%0.207SC*.G310 helixtrans-93.4-4174.4-58.1178.4000112.4A179 H180 C203A179-L182 PolarHBondContact O-N 3.47Å; A179-L182 VanDerWaalsContact O-N 3.09Å; H180-L182 PolarHBondContact O-N 2.75Å; L182-C203 HydrophobicContact CB-CB 4.26Å
183G93.6Very high92.1Very high3 Ų347.9 Ų47.93%0.03123%0.234CC..  trans-71.6146.7-179.800000112.5A179 H180 L207A179-G183 PolarHBondContact O-N 3.48Å; H180-G183 PolarHBondContact O-N 3.03Å; G183-L207 VanDerWaalsContact C-CD2 3.43Å; G183-L207 WeakPolarHBondContact O-CD2 3.15Å
184R95.5Very high91.3Very high152 Ų15254.6 Ų54.657%0.57426%0.264SS*.  trans-144.5136.5169.6-65.6-174.1-177.8177.30.2109.7H186 H204 Q295R184-H186 VanDerWaalsContact CB-CE1 3.45Å; R184-H186 WeakPolarHBondContact CB-CE1 3.33Å; R184-H186 PolarHBondContact O-N 2.87Å; R184-H204 PolarHBondContact N-CE1 3.05Å; R184-H204 PolarHBondContact N-ND1 2.87Å; R184-H204 PolarHBondContact O-CD2 3.29Å; R184-H204 PolarHBondContact O-ND1 3.44Å; R184-Q295 VanDerWaalsContact CA-OE1 3.3Å
185I96Very high90.5Very high12 Ų1263.2 Ų63.26%0.06230%0.301CS..  trans-89.8103.9176.4-54.3-55.6000109.5F187 L190 L207 A208 L211 Q295 I301 L305I185-F187 HydrophobicContact CB-CZ 4.42Å; I185-F187 HydrophobicContact CG2-CD1 3.95Å; I185-F187 HydrophobicContact CG2-CD2 4.24Å; I185-F187 HydrophobicContact CG2-CE1 3.56Å; I185-F187 HydrophobicContact CG2-CE2 3.88Å; I185-F187 HydrophobicContact CG2-CG 4.28Å; I185-F187 HydrophobicContact CG2-CZ 3.53Å; I185-L190 HydrophobicContact CG2-CD1 4.41Å; I185-L207 HydrophobicContact CD1-CD2 4.12Å; I185-L207 HydrophobicContact CD1-CG 4.22Å; I185-L207 HydrophobicContact CG1-CD2 3.96Å; I185-L207 HydrophobicContact CG1-CG 4.31Å; I185-A208 HydrophobicContact CD1-CB 4.23Å; I185-L211 HydrophobicContact CD1-CD1 4.26Å; I185-L211 HydrophobicContact CG1-CD1 3.62Å; I185-Q295 VanDerWaalsContact N-OE1 3.14Å; I185-I301 HydrophobicContact CB-CG2 3.98Å; I185-I301 HydrophobicContact CG1-CG2 4.01Å; I185-I301 HydrophobicContact CG2-CG2 4.48Å; I185-L305 HydrophobicContact CD1-CD2 4.4Å; I185-L305 HydrophobicContact CG2-CD1 4.22Å
186H92.6Very high90.1Very high67 Ų6766 Ų6631%0.3131%0.311SS..  trans-97.686.8176.2-57.8109.8000110R184 H188 N189 L190 H204R184-H186 VanDerWaalsContact CB-CE1 3.45Å; R184-H186 WeakPolarHBondContact CB-CE1 3.33Å; R184-H186 PolarHBondContact O-N 2.87Å; H186-H188 PolarHBondContact O-N 3.19Å; H186-H188 VanDerWaalsContact O-N 3.08Å; H186-N189 CarbonylContact O-C 3.57Å; H186-N189 PolarHBondContact O-N 3.15Å; H186-L190 PolarHBondContact O-N 3.09Å; H186-H204 AromaticContact CE1-NE2 3.76Å; H186-H204 AromaticContact ND1-NE2 3.53Å
187F93.9Very high89.9Confident42 Ų4270.2 Ų70.218%0.18433%0.334CS..G310 helixtrans-54.9-31.8-175.7-65.8-73000114.5I185 N189 I301 R304 L305 V308I185-F187 HydrophobicContact CB-CZ 4.42Å; I185-F187 HydrophobicContact CG2-CD1 3.95Å; I185-F187 HydrophobicContact CG2-CD2 4.24Å; I185-F187 HydrophobicContact CG2-CE1 3.56Å; I185-F187 HydrophobicContact CG2-CE2 3.88Å; I185-F187 HydrophobicContact CG2-CG 4.28Å; I185-F187 HydrophobicContact CG2-CZ 3.53Å; F187-N189 VanDerWaalsContact C-N 3.27Å; F187-N189 PolarHBondContact O-N 3.35Å; F187-I301 HydrophobicContact CE2-CG2 4.21Å; F187-I301 HydrophobicContact CZ-CG2 4.02Å; F187-R304 HydrophobicContact CD1-CG 4.12Å; F187-R304 HydrophobicContact CD2-CG 4.41Å; F187-R304 HydrophobicContact CE1-CB 4.15Å; F187-R304 HydrophobicContact CE1-CG 3.7Å; F187-R304 HydrophobicContact CE2-CB 4.3Å; F187-R304 HydrophobicContact CE2-CG 4.03Å; F187-R304 HydrophobicContact CG-CG 4.45Å; F187-R304 HydrophobicContact CZ-CB 3.75Å; F187-R304 HydrophobicContact CZ-CG 3.64Å; F187-L305 HydrophobicContact CE1-CB 4.12Å; F187-L305 HydrophobicContact CE1-CD1 4.41Å; F187-L305 HydrophobicContact CZ-CB 4.3Å; F187-V308 HydrophobicContact CD1-CG2 4.05Å; F187-V308 HydrophobicContact CE1-CG2 4.37Å
188H90.1Very high89.9Confident146 Ų14670.2 Ų70.268%0.67634%0.335SS*.G310 helixtrans-79-6.5178.265.5-93.3000114.1H186H186-H188 PolarHBondContact O-N 3.19Å; H186-H188 VanDerWaalsContact O-N 3.08Å
189N90.6Very high90Very high36 Ų3666.7 Ų66.719%0.19332%0.321CS..G310 helixtrans-148.137.9-178.9-170.544.5000110.7H186 F187 Q191 G192 E193 K194H186-N189 CarbonylContact O-C 3.57Å; H186-N189 PolarHBondContact O-N 3.15Å; F187-N189 VanDerWaalsContact C-N 3.27Å; F187-N189 PolarHBondContact O-N 3.35Å; N189-Q191 PolarHBondContact O-N 3.21Å; N189-G192 PolarHBondContact O-N 3.36Å; N189-E193 PolarHBondContact OD1-N 3.5Å; N189-E193 VanDerWaalsContact OD1-N 3.15Å; N189-K194 PolarHBondContact OD1-N 3.31Å
190L90.6Very high90.3Very high26 Ų2669.5 Ų69.514%0.13633%0.332CS..THydrogen-bonded Turntrans-61.6-29.6-176.9-170.564.6000111.6I146 I185 H186 G192 V308 L312I146-L190 HydrophobicContact CD1-CD1 4.3Å; I146-L190 HydrophobicContact CG1-CD1 4.2Å; I146-L190 HydrophobicContact CG1-CG 4.29Å; I185-L190 HydrophobicContact CG2-CD1 4.41Å; H186-L190 PolarHBondContact O-N 3.09Å; L190-G192 VanDerWaalsContact C-N 3.33Å; L190-V308 HydrophobicContact CD2-CG1 4.01Å; L190-L312 HydrophobicContact CD2-CD1 4Å
191Q91.3Very high90.4Very high32 Ų3270.1 Ų70.115%0.1534%0.337CS..THydrogen-bonded Turntrans-83.5-1.6178-54.5-57.2-18.200114.1Y135 F142 E143 N189 E193Y135-Q191 WeakPolarHBondContact CE2-O 3.3Å; F142-Q191 VanDerWaalsContact CA-OE1 3.27Å; E143-Q191 WeakPolarHBondContact CB-O 3.5Å; N189-Q191 PolarHBondContact O-N 3.21Å; Q191-E193 HydrophobicContact CB-CG 3.94Å; Q191-E193 PolarHBondContact O-N 2.8Å
192G85.4Confident90.6Very high13 Ų1366.6 Ų66.613%0.13432%0.321CS..  trans64.719.517600000115.8N189 L190 K194N189-G192 PolarHBondContact O-N 3.36Å; L190-G192 VanDerWaalsContact C-N 3.33Å; G192-K194 VanDerWaalsContact C-N 3.33Å; G192-K194 PolarHBondContact O-N 3.17Å
193E85.4Confident90.7Very high124 Ų12461.4 Ų61.458%0.57929%0.294SS*.  trans-69.4-24.9-170.7-68.9-178.6158.800114.1Y135 K137 N189 Q191Y135-E193 WeakPolarHBondContact OH-CG 3.45Å; K137-E193 IonicContact NZ-OE1 3.17Å; K137-E193 PolarHBondContact NZ-OE1 2.81Å; N189-E193 PolarHBondContact OD1-N 3.5Å; N189-E193 VanDerWaalsContact OD1-N 3.15Å; Q191-E193 HydrophobicContact CB-CG 3.94Å; Q191-E193 PolarHBondContact O-N 2.8Å
194K81.1Confident90.9Very high142 Ų14263.2 Ų63.262%0.61730%0.302SS*.SBendtrans-82.5-51.3-178.9-60.1-174.8-177.8-175.40112.9N189 G192N189-K194 PolarHBondContact OD1-N 3.31Å; G192-K194 VanDerWaalsContact C-N 3.33Å; G192-K194 PolarHBondContact O-N 3.17Å
195F82.3Confident91Very high183 Ų18356 Ų5680%0.80327%0.274SS*.SBendtrans-143.1117.2-179.8-60.4-77.4000107.8
196Y89.8Confident91Very high64 Ų6455.7 Ų55.725%0.25127%0.273SS..  trans-106.8125.5-178.8-176.4-104.6000111.3C133 Y135 E143 H145 A198 A201C133-Y196 PolarHBondContact O-OH 3.3Å; Y135-Y196 HydrophobicContact CD2-CD1 4.14Å; Y135-Y196 AromaticContact CD2-CD2 3.48Å; Y135-Y196 HydrophobicContact CD2-CD2 3.48Å; Y135-Y196 VanDerWaalsContact CD2-CD2 3.48Å; Y135-Y196 HydrophobicContact CD2-CE1 4.43Å; Y135-Y196 AromaticContact CD2-CE2 3.83Å; Y135-Y196 HydrophobicContact CD2-CE2 3.83Å; Y135-Y196 AromaticContact CD2-CG 3.61Å; Y135-Y196 HydrophobicContact CD2-CG 3.61Å; Y135-Y196 HydrophobicContact CE2-CD2 4.19Å; Y135-Y196 HydrophobicContact CG-CD1 4.35Å; Y135-Y196 HydrophobicContact CG-CD2 4.44Å; Y135-Y196 HydrophobicContact CG-CG 4.19Å; Y135-Y196 VanDerWaalsContact N-CE1 3.31Å; E143-Y196 HydrophobicContact CG-CD2 4.49Å; E143-Y196 HydrophobicContact CG-CE2 3.9Å; E143-Y196 WeakPolarHBondContact OE1-CE2 3.5Å; E143-Y196 PolarHBondContact OE1-OH 3.42Å; H145-Y196 PolarHBondContact CE1-OH 3.41Å; H145-Y196 PolarHBondContact ND1-OH 2.87Å; H145-Y196 VanDerWaalsContact ND1-OH 3.14Å; Y196-A198 HydrophobicContact CE1-CB 3.84Å; Y196-A201 HydrophobicContact CD2-CB 4.36Å; Y196-A201 HydrophobicContact CE2-CB 3.62Å
197N92.1Very high91.3Very high91 Ų9152.5 Ų52.549%0.48726%0.258SS..  trans-127115.7167.2179.7-68.7000108G199 L200 A201N197-G199 PolarHBondContact O-N 3.38Å; N197-G199 WeakPolarHBondContact OD1-CA 3.26Å; N197-G199 PolarHBondContact OD1-N 3.16Å; N197-L200 HydrophobicContact CB-CB 4.12Å; N197-L200 HydrophobicContact CB-CD1 4.11Å; N197-L200 HydrophobicContact CB-CG 4.21Å; N197-L200 PolarHBondContact O-N 3.38Å; N197-L200 PolarHBondContact OD1-N 3.13Å; N197-A201 WeakPolarHBondContact O-CB 3.36Å; N197-A201 PolarHBondContact O-N 3.49Å
198A90.6Very high91.5Very high19 Ų1950.5 Ų50.516%0.15725%0.249CC..Hα-helixtrans-60.3-34.1-173.600000113.2M132 C133 Y196 Y202M132-A198 HydrophobicContact SD-CB 4.38Å; C133-A198 VanDerWaalsContact O-CB 3.31Å; C133-A198 WeakPolarHBondContact O-CB 3.35Å; Y196-A198 HydrophobicContact CE1-CB 3.84Å; A198-Y202 PolarHBondContact O-N 2.86Å; A198-Y202 VanDerWaalsContact O-N 3.1Å
199G88.9Confident91.9Very high16 Ų1643.7 Ų43.717%0.16522%0.218CC..Hα-helixtrans-68.9-47176.800000112M132 N197 Y202 C203M132-G199 WeakPolarHBondContact SD-CA 3.48Å; M132-G199 PolarHBondContact SD-N 3.12Å; M132-G199 VanDerWaalsContact SD-N 3.42Å; N197-G199 PolarHBondContact O-N 3.38Å; N197-G199 WeakPolarHBondContact OD1-CA 3.26Å; N197-G199 PolarHBondContact OD1-N 3.16Å; G199-Y202 WeakPolarHBondContact O-CB 3.39Å; G199-Y202 PolarHBondContact O-N 3.46Å; G199-C203 PolarHBondContact O-N 2.9Å; G199-C203 PolarHBondContact O-SG 2.63Å
200L92.6Very high92.3Very high79 Ų7942 Ų4241%0.41421%0.208SC..Hα-helixtrans-66.2-40.8176.5-66.9178.9000111.9N197 Y202 C203 H204N197-L200 HydrophobicContact CB-CB 4.12Å; N197-L200 HydrophobicContact CB-CD1 4.11Å; N197-L200 HydrophobicContact CB-CG 4.21Å; N197-L200 PolarHBondContact O-N 3.38Å; N197-L200 PolarHBondContact OD1-N 3.13Å; L200-Y202 VanDerWaalsContact C-N 3.3Å; L200-Y202 PolarHBondContact O-N 3.03Å; L200-C203 CarbonylContact O-C 3.57Å; L200-C203 WeakPolarHBondContact O-CA 3.42Å; L200-C203 WeakPolarHBondContact O-CB 3.37Å; L200-C203 PolarHBondContact O-N 3.17Å; L200-H204 PolarHBondContact O-N 3.08Å; L200-H204 PolarHBondContact O-ND1 2.82Å
201A94.3Very high92.7Very high13 Ų1340.7 Ų40.711%0.10720%0.202CC..Hα-helixtrans-57-44.8175.200000111.3H145 Y196 N197 H204 S205H145-A201 HydrophobicContact CB-CB 4.46Å; Y196-A201 HydrophobicContact CD2-CB 4.36Å; Y196-A201 HydrophobicContact CE2-CB 3.62Å; N197-A201 WeakPolarHBondContact O-CB 3.36Å; N197-A201 PolarHBondContact O-N 3.49Å; A201-H204 PolarHBondContact O-N 3.32Å; A201-S205 PolarHBondContact O-N 3.25Å
202Y94Very high93.1Very high18 Ų1839.6 Ų39.67%0.07120%0.196CC..Hα-helixtrans-59.7-48171.5177.4-108.8000112.3V130 M131 A179 A198 G199 L200 H204 S205 K206V130-Y202 VanDerWaalsContact O-CD2 3.28Å; V130-Y202 WeakPolarHBondContact O-CD2 3.36Å; M131-Y202 HydrophobicContact CB-CD2 3.67Å; M131-Y202 HydrophobicContact CB-CE2 3.7Å; M131-Y202 HydrophobicContact CB-CG 4.13Å; M131-Y202 HydrophobicContact CG-CD1 3.74Å; M131-Y202 HydrophobicContact CG-CD2 3.69Å; M131-Y202 HydrophobicContact CG-CE1 3.9Å; M131-Y202 HydrophobicContact CG-CE2 3.84Å; M131-Y202 HydrophobicContact CG-CG 3.62Å; M131-Y202 HydrophobicContact SD-CD1 3.96Å; M131-Y202 HydrophobicContact SD-CE1 3.6Å; M131-Y202 VanDerWaalsContact SD-CE1 3.6Å; M131-Y202 HydrophobicContact SD-CE2 4.24Å; M131-Y202 HydrophobicContact SD-CG 4.42Å; A179-Y202 HydrophobicContact CB-CD1 3.9Å; A179-Y202 HydrophobicContact CB-CE1 3.69Å; A198-Y202 PolarHBondContact O-N 2.86Å; A198-Y202 VanDerWaalsContact O-N 3.1Å; G199-Y202 WeakPolarHBondContact O-CB 3.39Å; G199-Y202 PolarHBondContact O-N 3.46Å; L200-Y202 VanDerWaalsContact C-N 3.3Å; L200-Y202 PolarHBondContact O-N 3.03Å; Y202-H204 VanDerWaalsContact C-N 3.29Å; Y202-H204 PolarHBondContact O-N 3.1Å; Y202-S205 PolarHBondContact O-N 3.44Å; Y202-S205 VanDerWaalsContact O-N 3.16Å; Y202-S205 PolarHBondContact O-OG 2.95Å; Y202-K206 HydrophobicContact CD1-CG 4.48Å; Y202-K206 HydrophobicContact CD2-CG 4.24Å; Y202-K206 HydrophobicContact CE1-CG 4.02Å; Y202-K206 HydrophobicContact CE2-CD 4.1Å; Y202-K206 HydrophobicContact CE2-CG 3.77Å; Y202-K206 PolarHBondContact O-N 2.89Å; Y202-K206 WeakPolarHBondContact OH-CE 3.45Å
203C94.6Very high93.7Very high11 Ų1139 Ų397%0.07419%0.19CC..Hα-helixtrans-56.6-42.3176.9-63.90000112.1A179 L182 G199 L200 K206 L207A179-C203 HydrophobicContact CB-CB 4.46Å; A179-C203 WeakPolarHBondContact O-CB 3.46Å; A179-C203 PolarHBondContact O-SG 3.32Å; A179-C203 VanDerWaalsContact O-SG 3.34Å; L182-C203 HydrophobicContact CB-CB 4.26Å; G199-C203 PolarHBondContact O-N 2.9Å; G199-C203 PolarHBondContact O-SG 2.63Å; L200-C203 CarbonylContact O-C 3.57Å; L200-C203 WeakPolarHBondContact O-CA 3.42Å; L200-C203 WeakPolarHBondContact O-CB 3.37Å; L200-C203 PolarHBondContact O-N 3.17Å; C203-K206 PolarHBondContact O-N 3.28Å; C203-L207 PolarHBondContact O-N 2.77Å
204H96.4Very high94.3Very high41 Ų4135 Ų3519%0.1917%0.171CC..Hα-helixtrans-63.3-44.7177.4-61.50.4000110.9R184 H186 L200 A201 Y202 K206 L207 A208R184-H204 PolarHBondContact N-CE1 3.05Å; R184-H204 PolarHBondContact N-ND1 2.87Å; R184-H204 PolarHBondContact O-CD2 3.29Å; R184-H204 PolarHBondContact O-ND1 3.44Å; H186-H204 AromaticContact CE1-NE2 3.76Å; H186-H204 AromaticContact ND1-NE2 3.53Å; L200-H204 PolarHBondContact O-N 3.08Å; L200-H204 PolarHBondContact O-ND1 2.82Å; A201-H204 PolarHBondContact O-N 3.32Å; Y202-H204 VanDerWaalsContact C-N 3.29Å; Y202-H204 PolarHBondContact O-N 3.1Å; H204-K206 VanDerWaalsContact C-N 3.3Å; H204-K206 PolarHBondContact O-N 3.42Å; H204-L207 PolarHBondContact O-N 3.04Å; H204-A208 PolarHBondContact O-N 3.29Å
205S97.5Very high95.2Very high0 Ų028.4 Ų28.40%014%0.143CC..Hα-helixtrans-62.8-34.9176.880.40000113.2N149 A201 Y202 A208 N209N149-S205 PolarHBondContact ND2-OG 3.43Å; A201-S205 PolarHBondContact O-N 3.25Å; Y202-S205 PolarHBondContact O-N 3.44Å; Y202-S205 VanDerWaalsContact O-N 3.16Å; Y202-S205 PolarHBondContact O-OG 2.95Å; S205-A208 WeakPolarHBondContact O-CB 3.31Å; S205-A208 PolarHBondContact O-N 3.08Å; S205-N209 PolarHBondContact O-N 2.82Å; S205-N209 PolarHBondContact O-OD1 3.08Å
206K97.4Very high95.9Very high6 Ų619.7 Ų19.73%0.02611%0.105CC..Hα-helixtrans-78.1-30.5178.8-65.1-64.2176.1-172.50112.6V175 S176 H180 Y202 C203 H204V175-K206 PolarHBondContact O-NZ 3.24Å; S176-K206 PolarHBondContact OG-O 3.49Å; H180-K206 HydrophobicContact CB-CB 4.44Å; Y202-K206 HydrophobicContact CD1-CG 4.48Å; Y202-K206 HydrophobicContact CD2-CG 4.24Å; Y202-K206 HydrophobicContact CE1-CG 4.02Å; Y202-K206 HydrophobicContact CE2-CD 4.1Å; Y202-K206 HydrophobicContact CE2-CG 3.77Å; Y202-K206 PolarHBondContact O-N 2.89Å; Y202-K206 WeakPolarHBondContact OH-CE 3.45Å; C203-K206 PolarHBondContact O-N 3.28Å; H204-K206 VanDerWaalsContact C-N 3.3Å; H204-K206 PolarHBondContact O-N 3.42Å
207L98.1Very high96.3Very high0 Ų017.3 Ų17.30%010%0.098CC..Hα-helixtrans-63-43.8165.7173.761.6000111.5H180 G183 I185 C203 H204 N209 I210 L211 Q295 A296H180-L207 HydrophobicContact CB-CB 4.24Å; G183-L207 VanDerWaalsContact C-CD2 3.43Å; G183-L207 WeakPolarHBondContact O-CD2 3.15Å; I185-L207 HydrophobicContact CD1-CD2 4.12Å; I185-L207 HydrophobicContact CD1-CG 4.22Å; I185-L207 HydrophobicContact CG1-CD2 3.96Å; I185-L207 HydrophobicContact CG1-CG 4.31Å; C203-L207 PolarHBondContact O-N 2.77Å; H204-L207 PolarHBondContact O-N 3.04Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 3.41Å; L207-I210 PolarHBondContact O-N 2.87Å; L207-I210 VanDerWaalsContact O-N 3.07Å; L207-L211 HydrophobicContact CD1-CD1 4.17Å; L207-L211 HydrophobicContact CD1-CG 4.23Å; L207-L211 HydrophobicContact CG-CD1 3.92Å; L207-L211 HydrophobicContact CG-CG 4.45Å; L207-L211 PolarHBondContact O-N 3.29Å; L207-L211 VanDerWaalsContact O-N 3.12Å; L207-Q295 HydrophobicContact CD1-CB 4.4Å; L207-Q295 HydrophobicContact CD2-CB 3.96Å; L207-A296 HydrophobicContact CD1-CB 3.53Å
208A98.6Very high96.6Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-56-40.9177.800000112.2I146 H150 I185 H204 S205 I210 L211 F212 L305I146-A208 HydrophobicContact CD1-CB 3.88Å; H150-A208 HydrophobicContact CB-CB 3.93Å; I185-A208 HydrophobicContact CD1-CB 4.23Å; H204-A208 PolarHBondContact O-N 3.29Å; S205-A208 WeakPolarHBondContact O-CB 3.31Å; S205-A208 PolarHBondContact O-N 3.08Å; A208-I210 VanDerWaalsContact C-N 3.32Å; A208-I210 PolarHBondContact O-N 2.98Å; A208-L211 PolarHBondContact O-N 3.36Å; A208-F212 VanDerWaalsContact O-CB 3.27Å; A208-F212 WeakPolarHBondContact O-CB 3.36Å; A208-F212 PolarHBondContact O-N 2.93Å; A208-L305 HydrophobicContact CB-CD2 3.77Å
209N98.7Very high97Very high3 Ų320.1 Ų20.12%0.01610%0.098CC..Hα-helixtrans-61.8-33.9176.6-70.25.9000113.9N149 V175 S205 L207 T213N149-N209 PolarHBondContact O-ND2 3.18Å; N149-N209 PolarHBondContact O-OD1 3.5Å; N149-N209 VanDerWaalsContact O-OD1 3.04Å; V175-N209 PolarHBondContact O-ND2 3.22Å; S205-N209 PolarHBondContact O-N 2.82Å; S205-N209 PolarHBondContact O-OD1 3.08Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 3.41Å; N209-T213 PolarHBondContact O-N 2.95Å; N209-T213 VanDerWaalsContact O-N 3.15Å; N209-T213 PolarHBondContact O-OG1 2.71Å
210I98.7Very high97.4Very high0 Ų019.6 Ų19.60%09%0.091CC..Hα-helixtrans-73.2-47.2177-61.8177.1000110.1S176 H180 L207 A208 F212 T213 Q214 V292 A296S176-I210 WeakPolarHBondContact OG-CG1 3.34Å; H180-I210 HydrophobicContact CB-CD1 3.82Å; H180-I210 VanDerWaalsContact CD2-CD1 3.4Å; H180-I210 WeakPolarHBondContact CD2-CD1 3.47Å; L207-I210 PolarHBondContact O-N 2.87Å; L207-I210 VanDerWaalsContact O-N 3.07Å; A208-I210 VanDerWaalsContact C-N 3.32Å; A208-I210 PolarHBondContact O-N 2.98Å; I210-F212 VanDerWaalsContact C-N 3.3Å; I210-F212 PolarHBondContact O-N 3.03Å; I210-T213 WeakPolarHBondContact O-CB 3.36Å; I210-T213 PolarHBondContact O-N 3.3Å; I210-T213 VanDerWaalsContact O-N 3.16Å; I210-Q214 WeakPolarHBondContact O-CG 3.46Å; I210-Q214 PolarHBondContact O-N 2.94Å; I210-V292 HydrophobicContact CD1-CG1 4.16Å; I210-V292 HydrophobicContact CG2-CG1 4.18Å; I210-A296 HydrophobicContact CG2-CB 4.01Å
211L98.8Very high97.6Very high0 Ų024.9 Ų24.90%011%0.111CC..Hα-helixtrans-59.5-42.2177-69168.4000111.6I185 L207 A208 T213 Q214 E215 I301 A302 L305I185-L211 HydrophobicContact CD1-CD1 4.26Å; I185-L211 HydrophobicContact CG1-CD1 3.62Å; L207-L211 HydrophobicContact CD1-CD1 4.17Å; L207-L211 HydrophobicContact CD1-CG 4.23Å; L207-L211 HydrophobicContact CG-CD1 3.92Å; L207-L211 HydrophobicContact CG-CG 4.45Å; L207-L211 PolarHBondContact O-N 3.29Å; L207-L211 VanDerWaalsContact O-N 3.12Å; A208-L211 PolarHBondContact O-N 3.36Å; L211-T213 PolarHBondContact O-N 3.46Å; L211-Q214 PolarHBondContact O-N 2.76Å; L211-E215 PolarHBondContact O-N 2.98Å; L211-I301 HydrophobicContact CD1-CG2 3.77Å; L211-I301 HydrophobicContact CD2-CG2 4.47Å; L211-A302 HydrophobicContact CB-CB 4.15Å; L211-A302 HydrophobicContact CD2-CB 3.85Å; L211-L305 HydrophobicContact CB-CD2 3.94Å; L211-L305 HydrophobicContact CD1-CD2 3.89Å
212F98.8Very high97.7Very high8 Ų828.2 Ų28.24%0.03515%0.147CC..Hα-helixtrans-57.7-47.8173.9174.2-128.9000111.7F154 T157 A208 I210 Q214 E215 L216 W306F154-F212 AromaticContact CD2-CD2 3.44Å; F154-F212 HydrophobicContact CD2-CD2 3.44Å; F154-F212 VanDerWaalsContact CD2-CD2 3.44Å; F154-F212 AromaticContact CD2-CE2 3.35Å; F154-F212 HydrophobicContact CD2-CE2 3.35Å; F154-F212 HydrophobicContact CD2-CG 4.32Å; F154-F212 HydrophobicContact CD2-CZ 4.18Å; F154-F212 AromaticContact CE2-CD2 3.79Å; F154-F212 HydrophobicContact CE2-CD2 3.79Å; F154-F212 AromaticContact CE2-CE2 3.72Å; F154-F212 HydrophobicContact CE2-CE2 3.72Å; F154-F212 HydrophobicContact CG-CE2 4.18Å; T157-F212 HydrophobicContact CG2-CZ 3.86Å; A208-F212 VanDerWaalsContact O-CB 3.27Å; A208-F212 WeakPolarHBondContact O-CB 3.36Å; A208-F212 PolarHBondContact O-N 2.93Å; I210-F212 VanDerWaalsContact C-N 3.3Å; I210-F212 PolarHBondContact O-N 3.03Å; F212-Q214 PolarHBondContact O-N 3.49Å; F212-E215 PolarHBondContact O-N 3.43Å; F212-L216 HydrophobicContact CE1-CD2 4.24Å; F212-L216 HydrophobicContact CE2-CB 4.35Å; F212-L216 HydrophobicContact CE2-CD1 4.42Å; F212-L216 HydrophobicContact CE2-CD2 4.25Å; F212-L216 HydrophobicContact CZ-CD2 3.84Å; F212-L216 WeakPolarHBondContact O-CB 3.49Å; F212-L216 PolarHBondContact O-N 3.5Å; F212-W306 HydrophobicContact CD2-CE3 4.02Å; F212-W306 AromaticContact CD2-CZ3 3.81Å; F212-W306 HydrophobicContact CD2-CZ3 3.81Å; F212-W306 HydrophobicContact CE2-CE3 4.16Å; F212-W306 HydrophobicContact CE2-CH2 4.26Å; F212-W306 AromaticContact CE2-CZ3 3.55Å; F212-W306 HydrophobicContact CE2-CZ3 3.55Å
213T98.8Very high97.9Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-59.1-46.5179.2-59.40000111.4N174 N209 I210 L211 L216 A217 T227 S229N174-T213 WeakPolarHBondContact CB-OG1 3.04Å; N174-T213 PolarHBondContact ND2-OG1 3.45Å; N209-T213 PolarHBondContact O-N 2.95Å; N209-T213 VanDerWaalsContact O-N 3.15Å; N209-T213 PolarHBondContact O-OG1 2.71Å; I210-T213 WeakPolarHBondContact O-CB 3.36Å; I210-T213 PolarHBondContact O-N 3.3Å; I210-T213 VanDerWaalsContact O-N 3.16Å; L211-T213 PolarHBondContact O-N 3.46Å; T213-L216 PolarHBondContact O-N 3.43Å; T213-A217 WeakPolarHBondContact O-CB 3.35Å; T213-A217 PolarHBondContact O-N 2.69Å; T213-T227 VanDerWaalsContact CG2-OG1 3.32Å; T213-T227 WeakPolarHBondContact CG2-OG1 3.48Å; T213-T227 PolarHBondContact O-OG1 3.37Å; T213-S229 WeakPolarHBondContact OG1-CB 3.28Å
214Q98.6Very high98.1Very high40 Ų4030.5 Ų30.519%0.18717%0.172CC..Hα-helixtrans-66-44.5-179.1-69.8169.3-13.600112.7I210 L211 F212 A217 R218 G281 A296I210-Q214 WeakPolarHBondContact O-CG 3.46Å; I210-Q214 PolarHBondContact O-N 2.94Å; L211-Q214 PolarHBondContact O-N 2.76Å; F212-Q214 PolarHBondContact O-N 3.49Å; Q214-A217 PolarHBondContact O-N 3.38Å; Q214-R218 PolarHBondContact O-N 2.78Å; Q214-G281 VanDerWaalsContact CG-O 3.3Å; Q214-G281 WeakPolarHBondContact CG-O 3.45Å; Q214-A296 PolarHBondContact NE2-O 2.96Å; Q214-A296 PolarHBondContact OE1-O 3.26Å
215E98.7Very high98.2Very high4 Ų428.8 Ų28.82%0.01917%0.165CC..Hα-helixtrans-63.8-44.9175.6178.868.7-126.900111.2L211 F212 A217 R218 R219 A302 R303 W306L211-E215 PolarHBondContact O-N 2.98Å; F212-E215 PolarHBondContact O-N 3.43Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.16Å; E215-R218 VanDerWaalsContact CD-NH2 3.29Å; E215-R218 PolarHBondContact O-N 3.46Å; E215-R218 VanDerWaalsContact O-N 3.16Å; E215-R218 IonicContact OE1-CZ 3.18Å; E215-R218 IonicContact OE1-NH1 2.86Å; E215-R218 PolarHBondContact OE1-NH1 2.81Å; E215-R218 IonicContact OE1-NH2 3.26Å; E215-R218 IonicContact OE2-CZ 2.78Å; E215-R218 IonicContact OE2-NH1 2.94Å; E215-R218 PolarHBondContact OE2-NH1 3.47Å; E215-R218 IonicContact OE2-NH2 3.48Å; E215-R218 PolarHBondContact OE2-NH2 3.14Å; E215-R219 WeakPolarHBondContact O-CG 3.36Å; E215-R219 PolarHBondContact O-N 3.43Å; E215-R219 IonicContact OE1-CZ 2.68Å; E215-R219 IonicContact OE1-NE 3.59Å; E215-R219 PolarHBondContact OE1-NE 3.01Å; E215-R219 IonicContact OE1-NH2 2.71Å; E215-A302 HydrophobicContact CB-CB 4.35Å; E215-R303 WeakPolarHBondContact OE2-CA 3.27Å; E215-R303 WeakPolarHBondContact OE2-CB 3.27Å; E215-R303 PolarHBondContact OE2-N 3.25Å; E215-W306 HydrophobicContact CB-CE3 3.98Å; E215-W306 HydrophobicContact CG-CB 3.84Å; E215-W306 HydrophobicContact CG-CD2 3.71Å; E215-W306 HydrophobicContact CG-CE3 3.36Å; E215-W306 HydrophobicContact CG-CG 3.93Å; E215-W306 HydrophobicContact CG-CZ3 4.17Å
216L98.6Very high98.2Very high1 Ų129.4 Ų29.41%0.00517%0.169CC..Hα-helixtrans-60.3-43.8178.4-171.465.4000111.3T157 L161 I172 F212 T213 R218 R219 L220 T227 W306T157-L216 HydrophobicContact CG2-CD1 4.49Å; T157-L216 HydrophobicContact CG2-CD2 3.87Å; L161-L216 HydrophobicContact CD1-CD1 4.31Å; I172-L216 HydrophobicContact CD1-CD2 3.67Å; I172-L216 HydrophobicContact CG2-CD2 4.36Å; F212-L216 HydrophobicContact CE1-CD2 4.24Å; F212-L216 HydrophobicContact CE2-CB 4.35Å; F212-L216 HydrophobicContact CE2-CD1 4.42Å; F212-L216 HydrophobicContact CE2-CD2 4.25Å; F212-L216 HydrophobicContact CZ-CD2 3.84Å; F212-L216 WeakPolarHBondContact O-CB 3.49Å; F212-L216 PolarHBondContact O-N 3.5Å; T213-L216 PolarHBondContact O-N 3.43Å; L216-R218 VanDerWaalsContact C-N 3.32Å; L216-R218 PolarHBondContact O-N 2.65Å; L216-R219 PolarHBondContact O-N 3.07Å; L216-L220 HydrophobicContact CD1-CD1 3.86Å; L216-L220 HydrophobicContact CD1-CG 4.23Å; L216-L220 HydrophobicContact CD2-CD1 4.33Å; L216-L220 HydrophobicContact CG-CD1 3.68Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 VanDerWaalsContact O-CG 3.28Å; L216-L220 WeakPolarHBondContact O-CG 3.38Å; L216-L220 PolarHBondContact O-N 2.67Å; L216-T227 HydrophobicContact CB-CG2 4.26Å; L216-T227 HydrophobicContact CD2-CG2 3.76Å; L216-T227 HydrophobicContact CG-CG2 3.8Å; L216-W306 HydrophobicContact CB-CZ3 3.95Å; L216-W306 HydrophobicContact CD1-CH2 3.52Å; L216-W306 HydrophobicContact CD1-CZ3 3.74Å; L216-W306 HydrophobicContact CG-CZ3 4.44Å
217A98.5Very high98.3Very high14 Ų1429.1 Ų29.112%0.11617%0.167CC..Hα-helixtrans-59-41.4175.600000112.5T213 Q214 E215 L220 K221 G281T213-A217 WeakPolarHBondContact O-CB 3.35Å; T213-A217 PolarHBondContact O-N 2.69Å; Q214-A217 PolarHBondContact O-N 3.38Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.16Å; A217-L220 PolarHBondContact O-N 3.33Å; A217-K221 PolarHBondContact O-N 3.21Å; A217-G281 VanDerWaalsContact CB-CA 3.44Å
218R98.1Very high98.3Very high85 Ų8529.1 Ų29.132%0.32117%0.167SC..Hα-helixtrans-64.5-43.7175.8-77.7-168.7-76.492.9-3.9112Q214 E215 L216 L220 K221Q214-R218 PolarHBondContact O-N 2.78Å; E215-R218 VanDerWaalsContact CD-NH2 3.29Å; E215-R218 PolarHBondContact O-N 3.46Å; E215-R218 VanDerWaalsContact O-N 3.16Å; E215-R218 IonicContact OE1-CZ 3.18Å; E215-R218 IonicContact OE1-NH1 2.86Å; E215-R218 PolarHBondContact OE1-NH1 2.81Å; E215-R218 IonicContact OE1-NH2 3.26Å; E215-R218 IonicContact OE2-CZ 2.78Å; E215-R218 IonicContact OE2-NH1 2.94Å; E215-R218 PolarHBondContact OE2-NH1 3.47Å; E215-R218 IonicContact OE2-NH2 3.48Å; E215-R218 PolarHBondContact OE2-NH2 3.14Å; L216-R218 VanDerWaalsContact C-N 3.32Å; L216-R218 PolarHBondContact O-N 2.65Å; R218-L220 VanDerWaalsContact C-N 3.29Å; R218-L220 PolarHBondContact O-N 3.01Å; R218-K221 WeakPolarHBondContact O-CB 3.43Å; R218-K221 PolarHBondContact O-N 3.32Å
219R97.8Very high98.3Very high83 Ų8329.1 Ų29.131%0.31317%0.167SC..Hα-helixtrans-68.7-25.6179.1-70.2179.4174.5-100.27.6113.1E215 L216 W306 D307 D318E215-R219 WeakPolarHBondContact O-CG 3.36Å; E215-R219 PolarHBondContact O-N 3.43Å; E215-R219 IonicContact OE1-CZ 2.68Å; E215-R219 IonicContact OE1-NE 3.59Å; E215-R219 PolarHBondContact OE1-NE 3.01Å; E215-R219 IonicContact OE1-NH2 2.71Å; L216-R219 PolarHBondContact O-N 3.07Å; R219-W306 VanDerWaalsContact CD-CZ2 3.48Å; R219-D307 IonicContact NH2-OD1 3.81Å; R219-D318 PolarHBondContact NH1-O 3.41Å
220L97.9Very high98.3Very high5 Ų529 Ų293%0.02617%0.167CC..THydrogen-bonded Turntrans-95.18.2179.4-66.5175.6000114.4L161 K165 I172 L216 A217 R218 G222 S223 V225 T227L161-L220 HydrophobicContact CD1-CD1 4.07Å; L161-L220 HydrophobicContact CD1-CD2 3.91Å; L161-L220 HydrophobicContact CD2-CD2 4.3Å; L161-L220 HydrophobicContact CG-CD2 4.27Å; K165-L220 HydrophobicContact CG-CD2 4.5Å; I172-L220 HydrophobicContact CD1-CD1 4.18Å; L216-L220 HydrophobicContact CD1-CD1 3.86Å; L216-L220 HydrophobicContact CD1-CG 4.23Å; L216-L220 HydrophobicContact CD2-CD1 4.33Å; L216-L220 HydrophobicContact CG-CD1 3.68Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 VanDerWaalsContact O-CG 3.28Å; L216-L220 WeakPolarHBondContact O-CG 3.38Å; L216-L220 PolarHBondContact O-N 2.67Å; A217-L220 PolarHBondContact O-N 3.33Å; R218-L220 VanDerWaalsContact C-N 3.29Å; R218-L220 PolarHBondContact O-N 3.01Å; L220-G222 PolarHBondContact O-N 3.49Å; L220-G222 VanDerWaalsContact O-N 3.13Å; L220-S223 PolarHBondContact O-N 3.34Å; L220-S223 PolarHBondContact O-OG 3.38Å; L220-V225 HydrophobicContact CD1-CB 3.96Å; L220-V225 HydrophobicContact CD1-CG1 3.75Å; L220-T227 HydrophobicContact CD1-CG2 3.75Å
221K97.3Very high97.9Very high190 Ų19029.3 Ų29.383%0.82617%0.168SC*.THydrogen-bonded Turntrans-57.3123.1178.6-171.2178.2-179.3-178.90110.5A217 R218A217-K221 PolarHBondContact O-N 3.21Å; R218-K221 WeakPolarHBondContact O-CB 3.43Å; R218-K221 PolarHBondContact O-N 3.32Å
222G96.9Very high97.2Very high84 Ų8429.9 Ų29.987%0.86617%0.172SC*.THydrogen-bonded Turntrans86.7-4.9179.900000115.3L220 G224L220-G222 PolarHBondContact O-N 3.49Å; L220-G222 VanDerWaalsContact O-N 3.13Å; G222-G224 VanDerWaalsContact C-N 3.34Å
223S97.8Very high96.2Very high33 Ų3330.1 Ų30.123%0.23118%0.176CC..THydrogen-bonded Turntrans-86.2-3.3179.881.10000114.3L220 V225L220-S223 PolarHBondContact O-N 3.34Å; L220-S223 PolarHBondContact O-OG 3.38Å; S223-V225 PolarHBondContact O-N 3.13Å; S223-V225 WeakPolarHBondContact OG-CG2 3.32Å; S223-V225 PolarHBondContact OG-N 3.08Å
224G97.8Very high95Very high43 Ų4333.9 Ų33.944%0.44320%0.2SC..THydrogen-bonded Turntrans71.37.6-173.500000114.7P169 S170 G222P169-G224 WeakPolarHBondContact CA-O 3.39Å; S170-G224 PolarHBondContact N-O 2.99Å; G222-G224 VanDerWaalsContact C-N 3.34Å
225V98.7Very high93.4Very high5 Ų532.2 Ų32.23%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-101129.3175.5-172.90000109.1L164 K165 S170 I172 L220 S223L164-V225 HydrophobicContact CB-CG1 4.37Å; L164-V225 HydrophobicContact CB-CG2 4.4Å; K165-V225 HydrophobicContact CB-CG2 4.31Å; K165-V225 HydrophobicContact CG-CG2 3.88Å; S170-V225 WeakPolarHBondContact O-CA 3.36Å; S170-V225 WeakPolarHBondContact OG-CG2 3.39Å; I172-V225 HydrophobicContact CD1-CG1 3.94Å; I172-V225 HydrophobicContact CG1-CG1 4.21Å; L220-V225 HydrophobicContact CD1-CB 3.96Å; L220-V225 HydrophobicContact CD1-CG1 3.75Å; S223-V225 PolarHBondContact O-N 3.13Å; S223-V225 WeakPolarHBondContact OG-CG2 3.32Å; S223-V225 PolarHBondContact OG-N 3.08Å
226T98.8Very high91.6Very high13 Ų1337.2 Ų37.28%0.0822%0.216CC..EExtended strand (participates in β ladder)trans-114.8152.9179.158.80000111.9S170 R171 I172 Y228 E277 S280S170-T226 PolarHBondContact O-N 3.3Å; R171-T226 CarbonylContact C-O 3.49Å; R171-T226 WeakPolarHBondContact CA-O 3.21Å; I172-T226 PolarHBondContact N-O 3.29Å; T226-Y228 WeakPolarHBondContact CB-OH 3.45Å; T226-Y228 WeakPolarHBondContact OG1-CE2 3.5Å; T226-Y228 PolarHBondContact OG1-OH 2.82Å; T226-E277 HydrophobicContact CG2-CB 3.96Å; T226-E277 HydrophobicContact CG2-CG 3.93Å; T226-S280 WeakPolarHBondContact CA-OG 3.44Å
227T98.6Very high89.7Confident0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-136.1140.6-173.592.30000110.7I172 T213 L216 L220 S280 G281I172-T227 HydrophobicContact CB-CG2 4.42Å; I172-T227 HydrophobicContact CD1-CG2 4.3Å; I172-T227 CarbonylContact O-C 3.59Å; I172-T227 VanDerWaalsContact O-CA 3.26Å; I172-T227 WeakPolarHBondContact O-CA 3.41Å; T213-T227 VanDerWaalsContact CG2-OG1 3.32Å; T213-T227 WeakPolarHBondContact CG2-OG1 3.48Å; T213-T227 PolarHBondContact O-OG1 3.37Å; L216-T227 HydrophobicContact CB-CG2 4.26Å; L216-T227 HydrophobicContact CD2-CG2 3.76Å; L216-T227 HydrophobicContact CG-CG2 3.8Å; L220-T227 HydrophobicContact CD1-CG2 3.75Å; T227-S280 PolarHBondContact N-OG 3.17Å; T227-S280 CarbonylContact O-C 3.57Å; T227-S280 WeakPolarHBondContact O-CA 3.27Å; T227-G281 PolarHBondContact O-N 3Å
228Y98.8Very high88.2Confident0 Ų042.5 Ų42.50%024%0.24CC..EExtended strand (participates in β ladder)trans-141.4147.3-179.2-48.5-81.3000110I172 V173 N174 T226 C270 L276 E277 L279 F284I172-Y228 PolarHBondContact O-N 3.02Å; V173-Y228 CarbonylContact C-O 3.52Å; V173-Y228 WeakPolarHBondContact CA-O 3.33Å; N174-Y228 PolarHBondContact N-O 3.09Å; T226-Y228 WeakPolarHBondContact CB-OH 3.45Å; T226-Y228 WeakPolarHBondContact OG1-CE2 3.5Å; T226-Y228 PolarHBondContact OG1-OH 2.82Å; Y228-C270 HydrophobicContact CD2-CB 3.99Å; Y228-C270 HydrophobicContact CG-CB 4.01Å; Y228-L276 HydrophobicContact CD1-CD2 4.23Å; Y228-L276 HydrophobicContact CE1-CD2 3.87Å; Y228-L276 HydrophobicContact CE1-CG 4.02Å; Y228-L276 HydrophobicContact CE2-CD2 4.41Å; Y228-L276 PolarHBondContact OH-O 3.18Å; Y228-L276 VanDerWaalsContact OH-O 3.12Å; Y228-E277 WeakPolarHBondContact OH-CA 3.39Å; Y228-E277 PolarHBondContact OH-N 3.42Å; Y228-L279 HydrophobicContact CE1-CB 4.44Å; Y228-F284 HydrophobicContact CD1-CD2 4.45Å; Y228-F284 AromaticContact CD1-CE2 3.72Å; Y228-F284 HydrophobicContact CD1-CE2 3.72Å; Y228-F284 HydrophobicContact CD1-CZ 4.37Å; Y228-F284 HydrophobicContact CE1-CE2 4.46Å; Y228-F284 HydrophobicContact CG-CE2 4.49Å
229S98.6Very high86.5Confident0 Ų040.3 Ų40.30%024%0.235CC..EExtended strand (participates in β ladder)trans-109.8144.2169.262.30000109.4N174 T213 N282 H283 F284N174-S229 CarbonylContact O-C 3.59Å; N174-S229 VanDerWaalsContact O-CA 3.24Å; N174-S229 WeakPolarHBondContact O-CA 3.25Å; T213-S229 WeakPolarHBondContact OG1-CB 3.28Å; S229-N282 PolarHBondContact N-O 2.95Å; S229-N282 PolarHBondContact OG-O 2.96Å; S229-H283 CarbonylContact O-C 3.55Å; S229-H283 VanDerWaalsContact O-CA 3.31Å; S229-H283 WeakPolarHBondContact O-CA 3.47Å; S229-H283 PolarHBondContact O-ND1 3.33Å; S229-H283 WeakPolarHBondContact OG-CA 3.38Å; S229-H283 WeakPolarHBondContact OG-CB 3.28Å; S229-H283 PolarHBondContact OG-ND1 3.25Å; S229-F284 PolarHBondContact O-N 3.27Å
230V97.2Very high84.9Confident0 Ų036.8 Ų36.80%022%0.223CC..EExtended strand (participates in β ladder)trans-132.4144.5-174.8-54.60000112.2V173 N174 V175 S176 T266 C270 F284V173-V230 HydrophobicContact CG1-CG1 3.76Å; V173-V230 HydrophobicContact CG1-CG2 4.01Å; N174-V230 PolarHBondContact O-N 2.92Å; V175-V230 HydrophobicContact CB-CG2 4.35Å; V175-V230 HydrophobicContact CG2-CG2 3.87Å; S176-V230 CarbonylContact C-O 3.42Å; S176-V230 WeakPolarHBondContact CA-O 3.45Å; S176-V230 PolarHBondContact N-O 2.94Å; V230-T266 HydrophobicContact CB-CG2 3.91Å; V230-T266 HydrophobicContact CG1-CG2 3.95Å; V230-C270 HydrophobicContact CG1-CB 4.19Å; V230-C270 WeakPolarHBondContact CG1-SG 2.95Å; V230-F284 CarbonylContact C-O 3.43Å; V230-F284 WeakPolarHBondContact CA-O 3.09Å; V230-F284 HydrophobicContact CG1-CB 4.33Å
231H90.4Very high83.7Confident8 Ų841.6 Ų41.64%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-103.6123.4162.1171.651.7000109S177 L178 G233 F284 S285S177-H231 WeakPolarHBondContact CA-ND1 2.78Å; L178-H231 VanDerWaalsContact CD1-NE2 3.25Å; L178-H231 WeakPolarHBondContact CD1-NE2 3.5Å; L178-H231 VanDerWaalsContact CG-NE2 3.33Å; L178-H231 WeakPolarHBondContact CG-NE2 3.33Å; L178-H231 PolarHBondContact N-ND1 3.48Å; H231-G233 VanDerWaalsContact C-N 3.28Å; H231-G233 PolarHBondContact CD2-N 2.87Å; H231-G233 WeakPolarHBondContact CE1-CA 3.39Å; H231-G233 PolarHBondContact CE1-N 3.4Å; H231-G233 VanDerWaalsContact CE1-N 3.27Å; H231-G233 PolarHBondContact CE1-O 2.95Å; H231-G233 WeakPolarHBondContact NE2-CA 3.16Å; H231-G233 PolarHBondContact NE2-N 3.21Å; H231-G233 VanDerWaalsContact NE2-N 3.18Å; H231-G233 PolarHBondContact O-N 3.41Å; H231-F284 PolarHBondContact N-O 3.18Å; H231-S285 PolarHBondContact CD2-OG 3.37Å
232P84.9Confident82.3Confident12 Ų1236.8 Ų36.88%0.07822%0.221CC..  trans-82.73-177.232.6-36.6000114.4I53 V175 V235 K258 G263I53-P232 HydrophobicContact CD1-CB 3.67Å; I53-P232 HydrophobicContact CD1-CG 3.71Å; V175-P232 HydrophobicContact CG1-CG 4.23Å; P232-V235 HydrophobicContact CB-CG2 4.15Å; P232-V235 WeakPolarHBondContact O-CG2 3.08Å; P232-K258 WeakPolarHBondContact O-CD 3.45Å; P232-G263 VanDerWaalsContact CB-O 3.27Å; P232-G263 WeakPolarHBondContact CB-O 3.37Å; P232-G263 WeakPolarHBondContact O-CA 3.05Å
233G78.3Confident80.9Confident12 Ų1233.7 Ų33.712%0.12419%0.186CC..  trans84.2-178.4-165.600000112.9H231 V235H231-G233 VanDerWaalsContact C-N 3.28Å; H231-G233 PolarHBondContact CD2-N 2.87Å; H231-G233 WeakPolarHBondContact CE1-CA 3.39Å; H231-G233 PolarHBondContact CE1-N 3.4Å; H231-G233 VanDerWaalsContact CE1-N 3.27Å; H231-G233 PolarHBondContact CE1-O 2.95Å; H231-G233 WeakPolarHBondContact NE2-CA 3.16Å; H231-G233 PolarHBondContact NE2-N 3.21Å; H231-G233 VanDerWaalsContact NE2-N 3.18Å; H231-G233 PolarHBondContact O-N 3.41Å; G233-V235 PolarHBondContact O-N 3.2Å
234T73Confident79.5Confident80 Ų8037 Ų3749%0.49121%0.209SC..SBendtrans-79.6104.5167.1-55.30000108.2I257 K258T234-I257 HydrophobicContact CG2-CG1 4.16Å; T234-I257 HydrophobicContact CG2-CG2 4.45Å; T234-I257 WeakPolarHBondContact O-CG2 3.24Å; T234-K258 WeakPolarHBondContact O-CB 3.5Å; T234-K258 PolarHBondContact O-N 3.07Å
235V65.3Low78.1Confident5 Ų540.9 Ų40.93%0.0321%0.214CC..BIsolated β-bridgetrans-116.7137-171.4-179.70000111I53 P232 G233 S237 W250 I257 K258 P260I53-V235 HydrophobicContact CD1-CB 3.95Å; I53-V235 HydrophobicContact CD1-CG1 3.98Å; I53-V235 HydrophobicContact CD1-CG2 3.95Å; I53-V235 HydrophobicContact CG1-CB 4.29Å; I53-V235 HydrophobicContact CG1-CG1 3.74Å; I53-V235 HydrophobicContact CG1-CG2 4.36Å; P232-V235 HydrophobicContact CB-CG2 4.15Å; P232-V235 WeakPolarHBondContact O-CG2 3.08Å; G233-V235 PolarHBondContact O-N 3.2Å; V235-S237 PolarHBondContact O-N 2.98Å; V235-S237 PolarHBondContact O-OG 3.2Å; V235-W250 WeakPolarHBondContact O-CH2 3.43Å; V235-W250 WeakPolarHBondContact O-CZ2 3.43Å; V235-I257 VanDerWaalsContact C-CG2 3.46Å; V235-K258 WeakPolarHBondContact CA-O 3.31Å; V235-K258 HydrophobicContact CG2-CB 3.9Å; V235-K258 HydrophobicContact CG2-CD 4.48Å; V235-P260 HydrophobicContact CG1-CG 4.49Å
236Q60.2Low76.6Confident109 Ų10943.7 Ų43.751%0.50923%0.228SC..  trans-69.298.9175.4-167.8176.90.700108.9W250 I257 K258 P260Q236-W250 HydrophobicContact CG-CE3 4.4Å; Q236-I257 HydrophobicContact CB-CG2 3.7Å; Q236-K258 PolarHBondContact N-O 2.85Å; Q236-P260 WeakPolarHBondContact O-CG 3.13Å
237S58.7Low75.3Confident24 Ų2450.3 Ų50.317%0.16825%0.251CS..  trans-139.9157.3-176.561.60000112.7V235 L239 W250V235-S237 PolarHBondContact O-N 2.98Å; V235-S237 PolarHBondContact O-OG 3.2Å; S237-L239 PolarHBondContact O-N 2.57Å; S237-L239 WeakPolarHBondContact OG-CB 3.44Å; S237-W250 WeakPolarHBondContact O-CH2 3.38Å; S237-W250 WeakPolarHBondContact O-CZ3 3.16Å; S237-W250 WeakPolarHBondContact OG-CH2 3.46Å
238E66.6Low73.8Confident102 Ų10256.7 Ų56.748%0.47728%0.275SS..G310 helixtrans-59.5-1.1177.6-70.8-65.5134.800114.9T51 V240 R241T51-E238 HydrophobicContact CG2-CG 4.48Å; E238-V240 VanDerWaalsContact C-N 3.28Å; E238-V240 PolarHBondContact O-N 3.49Å; E238-R241 VanDerWaalsContact O-CB 3.28Å; E238-R241 WeakPolarHBondContact O-CB 3.5Å; E238-R241 VanDerWaalsContact O-CD 3.28Å; E238-R241 WeakPolarHBondContact O-CD 3.47Å; E238-R241 WeakPolarHBondContact O-CG 3.49Å; E238-R241 PolarHBondContact O-N 2.79Å
239L63.5Low71.9Confident38 Ų3858.7 Ų58.720%0.19929%0.285CS..G310 helixtrans-57.8-32.4179.4-165.362.5000113.7M131 S237 R241M131-L239 HydrophobicContact CB-CD1 3.52Å; M131-L239 HydrophobicContact CB-CD2 4.19Å; M131-L239 HydrophobicContact CB-CG 3.5Å; M131-L239 HydrophobicContact CE-CB 4.49Å; M131-L239 HydrophobicContact CE-CD2 4.35Å; M131-L239 HydrophobicContact CE-CG 4Å; M131-L239 HydrophobicContact CG-CG 4.28Å; M131-L239 HydrophobicContact SD-CD2 3.84Å; M131-L239 HydrophobicContact SD-CG 3.91Å; S237-L239 PolarHBondContact O-N 2.57Å; S237-L239 WeakPolarHBondContact OG-CB 3.44Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.41Å
240V64.4Low70.3Confident10 Ų1060.8 Ų60.86%0.06129%0.293CS..G310 helixtrans-81.6-1.7179.1-66.80000114.6M131 E238 H242 S243 M246 R247 W250M131-V240 HydrophobicContact CE-CB 4.32Å; M131-V240 HydrophobicContact CE-CG1 3.5Å; M131-V240 VanDerWaalsContact CE-CG1 3.5Å; E238-V240 VanDerWaalsContact C-N 3.28Å; E238-V240 PolarHBondContact O-N 3.49Å; V240-H242 PolarHBondContact O-N 3.5Å; V240-S243 PolarHBondContact O-N 2.94Å; V240-M246 HydrophobicContact CB-CB 4.03Å; V240-M246 HydrophobicContact CG1-CB 3.85Å; V240-R247 HydrophobicContact CB-CG 4.36Å; V240-R247 HydrophobicContact CG2-CG 3.88Å; V240-W250 HydrophobicContact CB-CD2 4.34Å; V240-W250 HydrophobicContact CB-CE3 4.17Å; V240-W250 HydrophobicContact CB-CH2 4.24Å; V240-W250 HydrophobicContact CB-CZ2 4.49Å; V240-W250 HydrophobicContact CB-CZ3 4.13Å; V240-W250 HydrophobicContact CG1-CD2 3.6Å; V240-W250 HydrophobicContact CG1-CE3 3.82Å; V240-W250 HydrophobicContact CG1-CG 4.3Å; V240-W250 HydrophobicContact CG1-CH2 3.48Å; V240-W250 VanDerWaalsContact CG1-CH2 3.48Å; V240-W250 HydrophobicContact CG1-CZ2 3.33Å; V240-W250 HydrophobicContact CG1-CZ3 3.77Å; V240-W250 HydrophobicContact CG2-CD2 3.88Å; V240-W250 HydrophobicContact CG2-CE3 3.3Å; V240-W250 HydrophobicContact CG2-CH2 3.94Å; V240-W250 HydrophobicContact CG2-CZ3 3.34Å
241R72.2Confident68.6Low106 Ų10669.3 Ų69.340%0.433%0.325SS..G310 helixtrans-55.3-24.4-170.567.6-170.2161-150.6-9.3114.8E238 L239E238-R241 VanDerWaalsContact O-CB 3.28Å; E238-R241 WeakPolarHBondContact O-CB 3.5Å; E238-R241 VanDerWaalsContact O-CD 3.28Å; E238-R241 WeakPolarHBondContact O-CD 3.47Å; E238-R241 WeakPolarHBondContact O-CG 3.49Å; E238-R241 PolarHBondContact O-N 2.79Å; L239-R241 VanDerWaalsContact C-N 3.3Å; L239-R241 PolarHBondContact O-N 3.41Å
242H67.6Low66.9Low89 Ų8973.1 Ų73.141%0.41235%0.345SS..G310 helixtrans-88.40-179.2-61.4-66.2000114.6V240V240-H242 PolarHBondContact O-N 3.5Å
243S68Low65.6Low19 Ų1977.2 Ų77.213%0.13336%0.362CS..  trans-131.2110.8176.3175.80000111.5V240 F245 M246 R247V240-S243 PolarHBondContact O-N 2.94Å; S243-F245 VanDerWaalsContact C-N 3.25Å; S243-F245 PolarHBondContact O-N 3.35Å; S243-M246 PolarHBondContact O-N 2.75Å; S243-M246 WeakPolarHBondContact OG-CG 3.39Å; S243-M246 PolarHBondContact OG-N 2.76Å; S243-R247 WeakPolarHBondContact O-CG 3.42Å; S243-R247 PolarHBondContact O-N 3.45Å
244S69.3Low64.8Low103 Ų10379.2 Ų79.272%0.7237%0.374SS*.Hα-helixtrans-59.2-37177-53.60000112.3W248S244-W248 WeakPolarHBondContact O-CB 3.36Å; S244-W248 PolarHBondContact O-N 3.5Å
245F67.9Low63.7Low123 Ų12379.3 Ų79.354%0.53937%0.368SS..Hα-helixtrans-64.9-46175.4177.6-99.6000112S243 W248 M249S243-F245 VanDerWaalsContact C-N 3.25Å; S243-F245 PolarHBondContact O-N 3.35Å; F245-W248 HydrophobicContact CE2-CE3 4.45Å; F245-W248 PolarHBondContact O-N 2.78Å; F245-M249 HydrophobicContact CD1-CG 4.25Å; F245-M249 HydrophobicContact CE1-CG 3.77Å; F245-M249 HydrophobicContact CE2-CG 4.2Å; F245-M249 HydrophobicContact CZ-CG 3.75Å; F245-M249 HydrophobicContact CZ-SD 4.1Å; F245-M249 WeakPolarHBondContact O-CG 3.2Å; F245-M249 PolarHBondContact O-N 2.94Å
246M66.9Low63.3Low65 Ų6581.6 Ų81.632%0.3238%0.378SS..Hα-helixtrans-68.8-35.6178.6-67.5-65165.600112.2V240 S243 W248 M249 W250V240-M246 HydrophobicContact CB-CB 4.03Å; V240-M246 HydrophobicContact CG1-CB 3.85Å; S243-M246 PolarHBondContact O-N 2.75Å; S243-M246 WeakPolarHBondContact OG-CG 3.39Å; S243-M246 PolarHBondContact OG-N 2.76Å; M246-W248 VanDerWaalsContact C-N 3.34Å; M246-M249 PolarHBondContact O-N 2.99Å; M246-W250 WeakPolarHBondContact O-CB 3.47Å; M246-W250 PolarHBondContact O-N 3.21Å
247R70.9Confident63.8Low151 Ų15176.9 Ų76.957%0.5736%0.356SS*.Hα-helixtrans-59.1-45.1170.6-74.6179.764-178.4-2.8111.6V240 S243 W250 W251V240-R247 HydrophobicContact CB-CG 4.36Å; V240-R247 HydrophobicContact CG2-CG 3.88Å; S243-R247 WeakPolarHBondContact O-CG 3.42Å; S243-R247 PolarHBondContact O-N 3.45Å; R247-W250 PolarHBondContact O-N 3.35Å; R247-W251 WeakPolarHBondContact O-CB 3.5Å; R247-W251 PolarHBondContact O-N 2.88Å
248W67.8Low64.6Low135 Ų13576.3 Ų76.351%0.51135%0.35SS..Hα-helixtrans-65.3-43.4177.3-178.772.8000111.9S244 F245 M246 W250 W251 L252S244-W248 WeakPolarHBondContact O-CB 3.36Å; S244-W248 PolarHBondContact O-N 3.5Å; F245-W248 HydrophobicContact CE2-CE3 4.45Å; F245-W248 PolarHBondContact O-N 2.78Å; M246-W248 VanDerWaalsContact C-N 3.34Å; W248-W250 PolarHBondContact O-N 3.15Å; W248-W251 PolarHBondContact O-N 3.41Å; W248-L252 HydrophobicContact CH2-CD2 4.25Å; W248-L252 HydrophobicContact CZ2-CD2 4.41Å; W248-L252 WeakPolarHBondContact O-CB 3.5Å; W248-L252 PolarHBondContact O-N 3.43Å
249M59.2Low65.5Low41 Ų4173.4 Ų73.420%0.20234%0.339CS..Hα-helixtrans-61.5-41.8174.9-75.2-77.275.400112.9F245 M246 L252 F253F245-M249 HydrophobicContact CD1-CG 4.25Å; F245-M249 HydrophobicContact CE1-CG 3.77Å; F245-M249 HydrophobicContact CE2-CG 4.2Å; F245-M249 HydrophobicContact CZ-CG 3.75Å; F245-M249 HydrophobicContact CZ-SD 4.1Å; F245-M249 WeakPolarHBondContact O-CG 3.2Å; F245-M249 PolarHBondContact O-N 2.94Å; M246-M249 PolarHBondContact O-N 2.99Å; M249-L252 HydrophobicContact CE-CB 4.13Å; M249-L252 HydrophobicContact CE-CD2 3.41Å; M249-L252 VanDerWaalsContact CE-CD2 3.41Å; M249-L252 HydrophobicContact CE-CG 4.41Å; M249-L252 PolarHBondContact O-N 3.18Å; M249-F253 HydrophobicContact CE-CD2 4.13Å; M249-F253 HydrophobicContact CE-CE2 3.66Å; M249-F253 WeakPolarHBondContact O-CB 3.28Å; M249-F253 VanDerWaalsContact O-CD2 3.28Å; M249-F253 WeakPolarHBondContact O-CD2 3.35Å; M249-F253 PolarHBondContact O-N 3.02Å; M249-F253 HydrophobicContact SD-CD2 4.3Å; M249-F253 HydrophobicContact SD-CE2 3.84Å
250W64.6Low66.6Low44 Ų4473.1 Ų73.117%0.16734%0.34CS..Hα-helixtrans-68.9-34.1175.9-87.616.3000114.2V235 Q236 S237 V240 M246 R247 W248 S254 I257V235-W250 WeakPolarHBondContact O-CH2 3.43Å; V235-W250 WeakPolarHBondContact O-CZ2 3.43Å; Q236-W250 HydrophobicContact CG-CE3 4.4Å; S237-W250 WeakPolarHBondContact O-CH2 3.38Å; S237-W250 WeakPolarHBondContact O-CZ3 3.16Å; S237-W250 WeakPolarHBondContact OG-CH2 3.46Å; V240-W250 HydrophobicContact CB-CD2 4.34Å; V240-W250 HydrophobicContact CB-CE3 4.17Å; V240-W250 HydrophobicContact CB-CH2 4.24Å; V240-W250 HydrophobicContact CB-CZ2 4.49Å; V240-W250 HydrophobicContact CB-CZ3 4.13Å; V240-W250 HydrophobicContact CG1-CD2 3.6Å; V240-W250 HydrophobicContact CG1-CE3 3.82Å; V240-W250 HydrophobicContact CG1-CG 4.3Å; V240-W250 HydrophobicContact CG1-CH2 3.48Å; V240-W250 VanDerWaalsContact CG1-CH2 3.48Å; V240-W250 HydrophobicContact CG1-CZ2 3.33Å; V240-W250 HydrophobicContact CG1-CZ3 3.77Å; V240-W250 HydrophobicContact CG2-CD2 3.88Å; V240-W250 HydrophobicContact CG2-CE3 3.3Å; V240-W250 HydrophobicContact CG2-CH2 3.94Å; V240-W250 HydrophobicContact CG2-CZ3 3.34Å; M246-W250 WeakPolarHBondContact O-CB 3.47Å; M246-W250 PolarHBondContact O-N 3.21Å; R247-W250 PolarHBondContact O-N 3.35Å; W248-W250 PolarHBondContact O-N 3.15Å; W250-S254 WeakPolarHBondContact O-CA 3.36Å; W250-S254 VanDerWaalsContact O-CB 3.26Å; W250-S254 WeakPolarHBondContact O-CB 3.48Å; W250-S254 PolarHBondContact O-N 3.18Å; W250-I257 HydrophobicContact CB-CD1 3.81Å; W250-I257 VanDerWaalsContact CD1-CD1 3.43Å; W250-I257 HydrophobicContact CD2-CD1 4.11Å; W250-I257 HydrophobicContact CG-CD1 3.51Å
251W61.6Low67.9Low180 Ų18078.2 Ų78.268%0.68236%0.363SS*.Hα-helixtrans-62.5-47.2171.3175.577.1000110.4R247 W248 F253 S254R247-W251 WeakPolarHBondContact O-CB 3.5Å; R247-W251 PolarHBondContact O-N 2.88Å; W248-W251 PolarHBondContact O-N 3.41Å; W251-F253 PolarHBondContact O-N 3.14Å; W251-S254 WeakPolarHBondContact O-CB 3.49Å; W251-S254 PolarHBondContact O-N 2.91Å; W251-S254 PolarHBondContact O-OG 2.79Å
252L53.9Low68.7Low87 Ų8775.5 Ų75.546%0.45536%0.355SS..Hα-helixtrans-63.9-38.1-179.2-164.172.3000113.1W248 M249W248-L252 HydrophobicContact CH2-CD2 4.25Å; W248-L252 HydrophobicContact CZ2-CD2 4.41Å; W248-L252 WeakPolarHBondContact O-CB 3.5Å; W248-L252 PolarHBondContact O-N 3.43Å; M249-L252 HydrophobicContact CE-CB 4.13Å; M249-L252 HydrophobicContact CE-CD2 3.41Å; M249-L252 VanDerWaalsContact CE-CD2 3.41Å; M249-L252 HydrophobicContact CE-CG 4.41Å; M249-L252 PolarHBondContact O-N 3.18Å
253F58Low69.8Low99 Ų9971.3 Ų71.343%0.43434%0.335SS..THydrogen-bonded Turntrans-105.215.4-177.9-66.1-70.5000113.9M249 W251 F255 F256 I257M249-F253 HydrophobicContact CE-CD2 4.13Å; M249-F253 HydrophobicContact CE-CE2 3.66Å; M249-F253 WeakPolarHBondContact O-CB 3.28Å; M249-F253 VanDerWaalsContact O-CD2 3.28Å; M249-F253 WeakPolarHBondContact O-CD2 3.35Å; M249-F253 PolarHBondContact O-N 3.02Å; M249-F253 HydrophobicContact SD-CD2 4.3Å; M249-F253 HydrophobicContact SD-CE2 3.84Å; W251-F253 PolarHBondContact O-N 3.14Å; F253-F255 PolarHBondContact O-N 3.31Å; F253-F256 HydrophobicContact CD1-CD2 4.14Å; F253-F256 PolarHBondContact O-N 3.03Å; F253-I257 WeakPolarHBondContact O-CG1 3.45Å
254S61.3Low71.1Confident54 Ų5470.4 Ų70.438%0.37833%0.33SS..G310 helixtrans-51.4-30.9-174.451.30000114.1W250 W251 F256 I257W250-S254 WeakPolarHBondContact O-CA 3.36Å; W250-S254 VanDerWaalsContact O-CB 3.26Å; W250-S254 WeakPolarHBondContact O-CB 3.48Å; W250-S254 PolarHBondContact O-N 3.18Å; W251-S254 WeakPolarHBondContact O-CB 3.49Å; W251-S254 PolarHBondContact O-N 2.91Å; W251-S254 PolarHBondContact O-OG 2.79Å; S254-F256 VanDerWaalsContact C-N 3.3Å; S254-F256 PolarHBondContact O-N 3.28Å; S254-I257 PolarHBondContact O-N 3.32Å
255F51.1Low72.5Confident81 Ų8166.7 Ų66.736%0.35530%0.301SS..G310 helixtrans-66.8-27.8177-158.3-77.9000113.9A21 P22 R25 F253A21-F255 VanDerWaalsContact C-CE1 3.45Å; A21-F255 HydrophobicContact CB-CD1 3.32Å; A21-F255 HydrophobicContact CB-CE1 3.22Å; A21-F255 HydrophobicContact CB-CG 4.25Å; A21-F255 HydrophobicContact CB-CZ 4.06Å; P22-F255 HydrophobicContact CG-CZ 4.44Å; R25-F255 HydrophobicContact CB-CE1 4.45Å; F253-F255 PolarHBondContact O-N 3.31Å
256F56.5Low73.8Confident54 Ų5460.9 Ų60.924%0.23728%0.275CS..G310 helixtrans-95.3-0-179.3-60.1-74.6000113.4L17 A21 I24 L28 F253 S254L17-F256 HydrophobicContact CD2-CZ 4.45Å; A21-F256 HydrophobicContact CB-CE1 3.92Å; A21-F256 HydrophobicContact CB-CZ 3.92Å; I24-F256 HydrophobicContact CB-CD1 4.15Å; I24-F256 HydrophobicContact CB-CE1 3.87Å; I24-F256 HydrophobicContact CD1-CE1 3.89Å; I24-F256 HydrophobicContact CG2-CD1 3.53Å; I24-F256 HydrophobicContact CG2-CE1 3.64Å; L28-F256 HydrophobicContact CD1-CB 4.09Å; L28-F256 HydrophobicContact CD1-CD1 4.28Å; F253-F256 HydrophobicContact CD1-CD2 4.14Å; F253-F256 PolarHBondContact O-N 3.03Å; S254-F256 VanDerWaalsContact C-N 3.3Å; S254-F256 PolarHBondContact O-N 3.28Å
257I69.3Low75.3Confident10 Ų1057.8 Ų57.85%0.05126%0.26CS..SBendtrans-97.1135-176.1-64.7175.5000109.2T234 V235 Q236 W250 F253 S254T234-I257 HydrophobicContact CG2-CG1 4.16Å; T234-I257 HydrophobicContact CG2-CG2 4.45Å; T234-I257 WeakPolarHBondContact O-CG2 3.24Å; V235-I257 VanDerWaalsContact C-CG2 3.46Å; Q236-I257 HydrophobicContact CB-CG2 3.7Å; W250-I257 HydrophobicContact CB-CD1 3.81Å; W250-I257 VanDerWaalsContact CD1-CD1 3.43Å; W250-I257 HydrophobicContact CD2-CD1 4.11Å; W250-I257 HydrophobicContact CG-CD1 3.51Å; F253-I257 WeakPolarHBondContact O-CG1 3.45Å; S254-I257 PolarHBondContact O-N 3.32Å
258K76.6Confident76.6Confident11 Ų1150.8 Ų50.85%0.04823%0.234CC..BIsolated β-bridgetrans-62.8144.9177-71.9-172.1-178.1-170.10110.9L28 P232 T234 V235 Q236 Q262 D286L28-K258 WeakPolarHBondContact O-CE 3.1Å; P232-K258 WeakPolarHBondContact O-CD 3.45Å; T234-K258 WeakPolarHBondContact O-CB 3.5Å; T234-K258 PolarHBondContact O-N 3.07Å; V235-K258 WeakPolarHBondContact CA-O 3.31Å; V235-K258 HydrophobicContact CG2-CB 3.9Å; V235-K258 HydrophobicContact CG2-CD 4.48Å; Q236-K258 PolarHBondContact N-O 2.85Å; K258-Q262 HydrophobicContact CB-CB 3.99Å; K258-Q262 HydrophobicContact CD-CB 4.3Å; K258-Q262 HydrophobicContact CG-CB 4.28Å; K258-D286 IonicContact NZ-OD1 2.79Å; K258-D286 PolarHBondContact NZ-OD1 3.49Å
259T84.6Confident78.1Confident41 Ų4145.4 Ų45.425%0.25221%0.214SC..PPolyproline II helixtrans-69157.6166.869.50000110.2Q261 Q262 G263T259-Q261 PolarHBondContact O-N 3.1Å; T259-Q262 WeakPolarHBondContact O-CB 3.46Å; T259-Q262 PolarHBondContact O-N 3.39Å; T259-Q262 VanDerWaalsContact O-N 3.07Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.45Å; T259-Q262 PolarHBondContact OG1-N 3.32Å; T259-G263 PolarHBondContact O-N 3.4Å
260P88.1Confident79.9Confident33 Ų3343.4 Ų43.421%0.21421%0.205CC..Hα-helixtrans-49.7-38.8170.5-33.339.2000114.4E56 V235 Q236 G263 A264E56-P260 HydrophobicContact CG-CB 3.71Å; V235-P260 HydrophobicContact CG1-CG 4.49Å; Q236-P260 WeakPolarHBondContact O-CG 3.13Å; P260-G263 PolarHBondContact O-N 2.89Å; P260-A264 PolarHBondContact O-N 2.98Å
261Q90.4Very high81.6Confident117 Ų11741.6 Ų41.655%0.54720%0.199SC..Hα-helixtrans-65.3-42.5178.1-174.5-1714.700111.6E56 T259 G263 A264 Q265E56-Q261 HydrophobicContact CG-CB 4.29Å; T259-Q261 PolarHBondContact O-N 3.1Å; Q261-G263 VanDerWaalsContact C-N 3.32Å; Q261-A264 PolarHBondContact O-N 2.81Å; Q261-Q265 WeakPolarHBondContact O-CG 3.44Å; Q261-Q265 PolarHBondContact O-NE2 3.38Å
262Q90Very high83.3Confident49 Ų4933.2 Ų33.223%0.22917%0.167CC..Hα-helixtrans-66.2-36.5173.7-70.8172.7-35.200111.3S29 K258 T259 A264 Q265S29-Q262 VanDerWaalsContact CB-NE2 3.28Å; K258-Q262 HydrophobicContact CB-CB 3.99Å; K258-Q262 HydrophobicContact CD-CB 4.3Å; K258-Q262 HydrophobicContact CG-CB 4.28Å; T259-Q262 WeakPolarHBondContact O-CB 3.46Å; T259-Q262 PolarHBondContact O-N 3.39Å; T259-Q262 VanDerWaalsContact O-N 3.07Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.45Å; T259-Q262 PolarHBondContact OG1-N 3.32Å; Q262-A264 VanDerWaalsContact C-N 3.33Å; Q262-A264 PolarHBondContact O-N 3.34Å; Q262-Q265 WeakPolarHBondContact O-CB 3.31Å; Q262-Q265 WeakPolarHBondContact O-CG 3.13Å; Q262-Q265 PolarHBondContact O-N 3.06Å
263G90.4Very high85.4Confident0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-66.9-30.117600000114.4P232 T259 P260 Q261 Q265P232-G263 VanDerWaalsContact CB-O 3.27Å; P232-G263 WeakPolarHBondContact CB-O 3.37Å; P232-G263 WeakPolarHBondContact O-CA 3.05Å; T259-G263 PolarHBondContact O-N 3.4Å; P260-G263 PolarHBondContact O-N 2.89Å; Q261-G263 VanDerWaalsContact C-N 3.32Å; G263-Q265 VanDerWaalsContact C-N 3.26Å; G263-Q265 PolarHBondContact O-N 3.1Å
264A95.8Very high87.1Confident1 Ų133 Ų331%0.00817%0.167CC..Hα-helixtrans-71.2-20.1178.200000113.4I53 E56 T57 P260 Q261 Q262 T266 S267 L268I53-A264 HydrophobicContact CG2-CB 4.28Å; E56-A264 HydrophobicContact CB-CB 4.09Å; T57-A264 WeakPolarHBondContact OG1-CB 3.22Å; P260-A264 PolarHBondContact O-N 2.98Å; Q261-A264 PolarHBondContact O-N 2.81Å; Q262-A264 VanDerWaalsContact C-N 3.33Å; Q262-A264 PolarHBondContact O-N 3.34Å; A264-T266 PolarHBondContact O-N 3.34Å; A264-S267 WeakPolarHBondContact O-CB 3.28Å; A264-S267 PolarHBondContact O-N 3.49Å; A264-L268 HydrophobicContact CB-CD1 3.95Å; A264-L268 WeakPolarHBondContact O-CG 3.49Å; A264-L268 PolarHBondContact O-N 3.09Å
265Q96.7Very high88.7Confident24 Ų2433.1 Ų33.111%0.11218%0.177CC..Hα-helixtrans-59.6-42.7-168.4-64.2-56.2-55.300113.8G31 C33 Q261 Q262 G263 L268 H269G31-Q265 VanDerWaalsContact O-CB 3.26Å; G31-Q265 WeakPolarHBondContact O-CB 3.46Å; C33-Q265 WeakPolarHBondContact CB-O 3.28Å; Q261-Q265 WeakPolarHBondContact O-CG 3.44Å; Q261-Q265 PolarHBondContact O-NE2 3.38Å; Q262-Q265 WeakPolarHBondContact O-CB 3.31Å; Q262-Q265 WeakPolarHBondContact O-CG 3.13Å; Q262-Q265 PolarHBondContact O-N 3.06Å; G263-Q265 VanDerWaalsContact C-N 3.26Å; G263-Q265 PolarHBondContact O-N 3.1Å; Q265-L268 PolarHBondContact O-N 3.22Å; Q265-H269 WeakPolarHBondContact O-CB 3.47Å; Q265-H269 PolarHBondContact O-N 3.35Å
266T96.6Very high90.8Very high1 Ų129.8 Ų29.81%0.00616%0.163CC..Hα-helixtrans-71.7-35.2-179.7-55.40000112.1V230 A264 H269 C270 F284 D286 C287V230-T266 HydrophobicContact CB-CG2 3.91Å; V230-T266 HydrophobicContact CG1-CG2 3.95Å; A264-T266 PolarHBondContact O-N 3.34Å; T266-H269 PolarHBondContact O-N 2.98Å; T266-C270 PolarHBondContact O-N 3.33Å; T266-C270 PolarHBondContact O-SG 3.46Å; T266-F284 HydrophobicContact CG2-CB 3.62Å; T266-D286 PolarHBondContact OG1-N 3.4Å; T266-D286 VanDerWaalsContact OG1-N 3.13Å; T266-C287 PolarHBondContact OG1-N 2.89Å; T266-C287 VanDerWaalsContact OG1-N 3.16Å
267S98.2Very high92.8Very high0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-62.2-45.5172-570000111.1A264 C270 A271A264-S267 WeakPolarHBondContact O-CB 3.28Å; A264-S267 PolarHBondContact O-N 3.49Å; S267-C270 PolarHBondContact O-N 2.84Å; S267-A271 VanDerWaalsContact O-CB 3.29Å; S267-A271 WeakPolarHBondContact O-CB 3.14Å; S267-A271 PolarHBondContact O-N 3.22Å
268L98.5Very high94.1Very high4 Ų437.9 Ų37.92%0.02121%0.205CC..Hα-helixtrans-63.2-43.3176.8-71163.7000111.6C33 T57 E60 L61 A264 Q265 C270 A271 L272C33-L268 HydrophobicContact CB-CB 3.98Å; T57-L268 HydrophobicContact CG2-CD2 4.21Å; T57-L268 HydrophobicContact CG2-CG 4.49Å; E60-L268 HydrophobicContact CB-CD1 3.9Å; E60-L268 HydrophobicContact CB-CD2 3.82Å; E60-L268 HydrophobicContact CG-CD1 3.71Å; E60-L268 HydrophobicContact CG-CD2 3.66Å; E60-L268 HydrophobicContact CG-CG 4.3Å; L61-L268 HydrophobicContact CD2-CD2 4.22Å; L61-L268 HydrophobicContact CG-CD2 4.06Å; A264-L268 HydrophobicContact CB-CD1 3.95Å; A264-L268 WeakPolarHBondContact O-CG 3.49Å; A264-L268 PolarHBondContact O-N 3.09Å; Q265-L268 PolarHBondContact O-N 3.22Å; L268-C270 PolarHBondContact O-N 3.37Å; L268-A271 CarbonylContact O-C 3.56Å; L268-A271 PolarHBondContact O-N 2.95Å; L268-A271 VanDerWaalsContact O-N 3.16Å; L268-L272 HydrophobicContact CB-CD1 4.13Å; L268-L272 HydrophobicContact CD2-CD1 3.99Å; L268-L272 WeakPolarHBondContact O-CB 2.85Å; L268-L272 WeakPolarHBondContact O-CG 3.38Å; L268-L272 PolarHBondContact O-N 3.27Å
269H98.3Very high95.1Very high22 Ų2240 Ų4010%0.10222%0.216CC..Hα-helixtrans-57.4-47.8175.1174.987.2000111.6C33 Q265 T266 A271 L272 T273 C287C33-H269 HydrophobicContact CB-CB 4.17Å; Q265-H269 WeakPolarHBondContact O-CB 3.47Å; Q265-H269 PolarHBondContact O-N 3.35Å; T266-H269 PolarHBondContact O-N 2.98Å; H269-A271 VanDerWaalsContact C-N 3.3Å; H269-A271 PolarHBondContact O-N 3.48Å; H269-L272 PolarHBondContact O-N 2.93Å; H269-T273 PolarHBondContact CE1-OG1 2.71Å; H269-T273 VanDerWaalsContact CE1-OG1 3.27Å; H269-T273 PolarHBondContact ND1-OG1 3.36Å; H269-T273 WeakPolarHBondContact O-CB 3.33Å; H269-T273 PolarHBondContact O-N 3.02Å; H269-T273 PolarHBondContact O-OG1 3.34Å; H269-C287 HydrophobicContact CB-CB 3.97Å; H269-C287 VanDerWaalsContact CB-SG 3.57Å; H269-C287 PolarHBondContact NE2-O 2.99Å
270C98.4Very high95.7Very high0 Ų039.7 Ų39.70%022%0.216CC..Hα-helixtrans-66.2-34.5177.9-62.80000112.3R171 V173 Y228 V230 T266 S267 L268 L276R171-C270 WeakPolarHBondContact CD-O 3.39Å; R171-C270 PolarHBondContact NH1-O 2.78Å; V173-C270 HydrophobicContact CG1-CB 4.32Å; V173-C270 HydrophobicContact CG2-CB 3.94Å; Y228-C270 HydrophobicContact CD2-CB 3.99Å; Y228-C270 HydrophobicContact CG-CB 4.01Å; V230-C270 HydrophobicContact CG1-CB 4.19Å; V230-C270 WeakPolarHBondContact CG1-SG 2.95Å; T266-C270 PolarHBondContact O-N 3.33Å; T266-C270 PolarHBondContact O-SG 3.46Å; S267-C270 PolarHBondContact O-N 2.84Å; L268-C270 PolarHBondContact O-N 3.37Å; C270-L276 HydrophobicContact CB-CD2 4.34Å
271A98.4Very high96.2Very high5 Ų538.4 Ų38.44%0.04121%0.209CC..Hα-helixtrans-75.1-26.517900000114I123 I125 R171 V173 S267 L268 H269I123-A271 HydrophobicContact CD1-CB 4.41Å; I123-A271 HydrophobicContact CG2-CB 4.09Å; I125-A271 HydrophobicContact CD1-CB 4.01Å; R171-A271 WeakPolarHBondContact CD-O 3.48Å; V173-A271 HydrophobicContact CG2-CB 4.34Å; S267-A271 VanDerWaalsContact O-CB 3.29Å; S267-A271 WeakPolarHBondContact O-CB 3.14Å; S267-A271 PolarHBondContact O-N 3.22Å; L268-A271 CarbonylContact O-C 3.56Å; L268-A271 PolarHBondContact O-N 2.95Å; L268-A271 VanDerWaalsContact O-N 3.16Å; H269-A271 VanDerWaalsContact C-N 3.3Å; H269-A271 PolarHBondContact O-N 3.48Å
272L98.3Very high96.6Very high4 Ų435.6 Ų35.62%0.02120%0.198CC..Hα-helixtrans-123.8-20.3-164.3-58.5172.2000115.6S35 L39 L61 L268 H269 E274S35-L272 PolarHBondContact OG-O 3.48Å; L39-L272 HydrophobicContact CD1-CD2 3.75Å; L39-L272 HydrophobicContact CD2-CD2 4.05Å; L39-L272 HydrophobicContact CG-CD2 4.12Å; L61-L272 HydrophobicContact CD2-CD2 3.93Å; L61-L272 HydrophobicContact CD2-CG 4.49Å; L268-L272 HydrophobicContact CB-CD1 4.13Å; L268-L272 HydrophobicContact CD2-CD1 3.99Å; L268-L272 WeakPolarHBondContact O-CB 2.85Å; L268-L272 WeakPolarHBondContact O-CG 3.38Å; L268-L272 PolarHBondContact O-N 3.27Å; H269-L272 PolarHBondContact O-N 2.93Å; L272-E274 PolarHBondContact O-N 2.75Å
273T97.5Very high97Very high28 Ų2833.6 Ų33.617%0.17219%0.188CC..  trans-75.2114.6-175.7-60.60000110.2R171 H269 L276R171-T273 VanDerWaalsContact CZ-O 3.22Å; R171-T273 PolarHBondContact NH1-O 3.02Å; R171-T273 PolarHBondContact NH2-O 3.05Å; H269-T273 PolarHBondContact CE1-OG1 2.71Å; H269-T273 VanDerWaalsContact CE1-OG1 3.27Å; H269-T273 PolarHBondContact ND1-OG1 3.36Å; H269-T273 WeakPolarHBondContact O-CB 3.33Å; H269-T273 PolarHBondContact O-N 3.02Å; H269-T273 PolarHBondContact O-OG1 3.34Å; T273-L276 HydrophobicContact CG2-CD1 4.26Å; T273-L276 WeakPolarHBondContact O-CB 3.44Å
274E95.1Very high97.3Very high153 Ų15333.7 Ų33.772%0.71519%0.189SC*.THydrogen-bonded Turntrans-65.7146.9172.2-64.1176.1122.200110.7V37 L272 L276V37-E274 HydrophobicContact CG2-CG 3.93Å; L272-E274 PolarHBondContact O-N 2.75Å; E274-L276 VanDerWaalsContact C-N 3.26Å; E274-L276 PolarHBondContact O-N 3.05Å
275G94.4Very high97.2Very high57 Ų5734.3 Ų34.359%0.58819%0.193SC*.THydrogen-bonded Turntrans82-2.1-178.200000114.6E277G275-E277 WeakPolarHBondContact CA-OE2 3.43Å; G275-E277 PolarHBondContact N-OE2 3.14Å; G275-E277 PolarHBondContact O-N 3.06Å
276L95.6Very high96.9Very high11 Ų1135.1 Ų35.16%0.05820%0.198CC..G310 helixtrans-73.5-10.4177.5-151.475.7000113Y228 C270 T273 E274 I278 L279 F284Y228-L276 HydrophobicContact CD1-CD2 4.23Å; Y228-L276 HydrophobicContact CE1-CD2 3.87Å; Y228-L276 HydrophobicContact CE1-CG 4.02Å; Y228-L276 HydrophobicContact CE2-CD2 4.41Å; Y228-L276 PolarHBondContact OH-O 3.18Å; Y228-L276 VanDerWaalsContact OH-O 3.12Å; C270-L276 HydrophobicContact CB-CD2 4.34Å; T273-L276 HydrophobicContact CG2-CD1 4.26Å; T273-L276 WeakPolarHBondContact O-CB 3.44Å; E274-L276 VanDerWaalsContact C-N 3.26Å; E274-L276 PolarHBondContact O-N 3.05Å; L276-I278 PolarHBondContact O-N 3.43Å; L276-I278 VanDerWaalsContact O-N 3.14Å; L276-L279 HydrophobicContact CD1-CD1 3.8Å; L276-L279 HydrophobicContact CG-CD1 4.35Å; L276-L279 WeakPolarHBondContact O-CA 3.34Å; L276-L279 WeakPolarHBondContact O-CB 3.39Å; L276-L279 PolarHBondContact O-N 3.23Å; L276-F284 HydrophobicContact CD1-CE1 4Å; L276-F284 HydrophobicContact CD1-CZ 4.03Å; L276-F284 HydrophobicContact CD2-CE1 4.34Å; L276-F284 HydrophobicContact CD2-CZ 4.08Å; L276-F284 HydrophobicContact CG-CZ 4.13Å
277E96.5Very high96.8Very high78 Ų7835.6 Ų35.636%0.36420%0.201SC..G310 helixtrans-56.8-34.7-170.7-69.370.8-159.200113.5R171 T226 Y228 G275 L279 S280R171-E277 IonicContact CZ-OE1 2.67Å; R171-E277 IonicContact NE-OE1 3.75Å; R171-E277 IonicContact NH2-OE1 3.92Å; R171-E277 PolarHBondContact NH2-OE1 3.22Å; T226-E277 HydrophobicContact CG2-CB 3.96Å; T226-E277 HydrophobicContact CG2-CG 3.93Å; Y228-E277 WeakPolarHBondContact OH-CA 3.39Å; Y228-E277 PolarHBondContact OH-N 3.42Å; G275-E277 WeakPolarHBondContact CA-OE2 3.43Å; G275-E277 PolarHBondContact N-OE2 3.14Å; G275-E277 PolarHBondContact O-N 3.06Å; E277-L279 PolarHBondContact O-N 3.13Å; E277-S280 WeakPolarHBondContact O-CB 3.48Å; E277-S280 PolarHBondContact O-N 3Å; E277-S280 VanDerWaalsContact O-N 3.16Å
278I96.7Very high96.6Very high156 Ų15641.8 Ų41.880%0.823%0.23SC*.G310 helixtrans-64.1-19.2176.6-168164.7000113L276L276-I278 PolarHBondContact O-N 3.43Å; L276-I278 VanDerWaalsContact O-N 3.14Å
279L98.1Very high96.5Very high55 Ų5545 Ų4529%0.28825%0.25SC..G310 helixtrans-97.312.3179.8-53.8177.2000112.6Y228 L276 E277 G281 N282 F284 V289Y228-L279 HydrophobicContact CE1-CB 4.44Å; L276-L279 HydrophobicContact CD1-CD1 3.8Å; L276-L279 HydrophobicContact CG-CD1 4.35Å; L276-L279 WeakPolarHBondContact O-CA 3.34Å; L276-L279 WeakPolarHBondContact O-CB 3.39Å; L276-L279 PolarHBondContact O-N 3.23Å; E277-L279 PolarHBondContact O-N 3.13Å; L279-G281 PolarHBondContact O-N 2.73Å; L279-N282 VanDerWaalsContact O-CB 3.22Å; L279-N282 WeakPolarHBondContact O-CB 3.21Å; L279-N282 PolarHBondContact O-N 3.29Å; L279-F284 HydrophobicContact CB-CE2 4.46Å; L279-F284 HydrophobicContact CB-CZ 3.95Å; L279-F284 HydrophobicContact CD1-CE1 4.31Å; L279-F284 HydrophobicContact CD1-CZ 3.86Å; L279-V289 HydrophobicContact CD1-CG2 3.84Å; L279-V289 HydrophobicContact CD2-CG2 4.43Å
280S98.5Very high96.2Very high35 Ų3546.3 Ų46.325%0.24526%0.259CS..THydrogen-bonded Turntrans-54.4130.9175-172.60000111T226 T227 E277T226-S280 WeakPolarHBondContact CA-OG 3.44Å; T227-S280 PolarHBondContact N-OG 3.17Å; T227-S280 CarbonylContact O-C 3.57Å; T227-S280 WeakPolarHBondContact O-CA 3.27Å; E277-S280 WeakPolarHBondContact O-CB 3.48Å; E277-S280 PolarHBondContact O-N 3Å; E277-S280 VanDerWaalsContact O-N 3.16Å
281G98.3Very high95.8Very high7 Ų755.5 Ų55.57%0.07229%0.294CS..THydrogen-bonded Turntrans97.2-13.7-174.200000114.2Q214 A217 T227 L279Q214-G281 VanDerWaalsContact CG-O 3.3Å; Q214-G281 WeakPolarHBondContact CG-O 3.45Å; A217-G281 VanDerWaalsContact CB-CA 3.44Å; T227-G281 PolarHBondContact O-N 3Å; L279-G281 PolarHBondContact O-N 2.73Å
282N98.4Very high95.6Very high58 Ų5856 Ų5631%0.3130%0.297SS..  trans-78.4162.2-176.9-71.32.2000113.5S229 L279 F284 V289S229-N282 PolarHBondContact N-O 2.95Å; S229-N282 PolarHBondContact OG-O 2.96Å; L279-N282 VanDerWaalsContact O-CB 3.22Å; L279-N282 WeakPolarHBondContact O-CB 3.21Å; L279-N282 PolarHBondContact O-N 3.29Å; N282-F284 HydrophobicContact CB-CD2 4.4Å; N282-F284 HydrophobicContact CB-CE2 3.76Å; N282-F284 HydrophobicContact CB-CZ 4.48Å; N282-V289 HydrophobicContact CB-CG1 4.28Å; N282-V289 HydrophobicContact CB-CG2 4.39Å
283H97.9Very high95.3Very high7 Ų756.4 Ų56.43%0.03230%0.3CS..EExtended strand (participates in β ladder)trans-102.4137.1172.7-171.963.9000110.7S229 V289 T290 V292S229-H283 CarbonylContact O-C 3.55Å; S229-H283 VanDerWaalsContact O-CA 3.31Å; S229-H283 WeakPolarHBondContact O-CA 3.47Å; S229-H283 PolarHBondContact O-ND1 3.33Å; S229-H283 WeakPolarHBondContact OG-CA 3.38Å; S229-H283 WeakPolarHBondContact OG-CB 3.28Å; S229-H283 PolarHBondContact OG-ND1 3.25Å; H283-V289 WeakPolarHBondContact O-CA 3.48Å; H283-T290 PolarHBondContact O-N 3.19Å; H283-V292 HydrophobicContact CB-CG1 3.27Å
284F97.4Very high95.2Very high2 Ų258.6 Ų58.61%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-122.9142.6-177.1-70.7-107.2000112Y228 S229 V230 H231 T266 L276 L279 N282 H288 V289Y228-F284 HydrophobicContact CD1-CD2 4.45Å; Y228-F284 AromaticContact CD1-CE2 3.72Å; Y228-F284 HydrophobicContact CD1-CE2 3.72Å; Y228-F284 HydrophobicContact CD1-CZ 4.37Å; Y228-F284 HydrophobicContact CE1-CE2 4.46Å; Y228-F284 HydrophobicContact CG-CE2 4.49Å; S229-F284 PolarHBondContact O-N 3.27Å; V230-F284 CarbonylContact C-O 3.43Å; V230-F284 WeakPolarHBondContact CA-O 3.09Å; V230-F284 HydrophobicContact CG1-CB 4.33Å; H231-F284 PolarHBondContact N-O 3.18Å; T266-F284 HydrophobicContact CG2-CB 3.62Å; L276-F284 HydrophobicContact CD1-CE1 4Å; L276-F284 HydrophobicContact CD1-CZ 4.03Å; L276-F284 HydrophobicContact CD2-CE1 4.34Å; L276-F284 HydrophobicContact CD2-CZ 4.08Å; L276-F284 HydrophobicContact CG-CZ 4.13Å; L279-F284 HydrophobicContact CB-CE2 4.46Å; L279-F284 HydrophobicContact CB-CZ 3.95Å; L279-F284 HydrophobicContact CD1-CE1 4.31Å; L279-F284 HydrophobicContact CD1-CZ 3.86Å; N282-F284 HydrophobicContact CB-CD2 4.4Å; N282-F284 HydrophobicContact CB-CE2 3.76Å; N282-F284 HydrophobicContact CB-CZ 4.48Å; F284-H288 CarbonylContact C-O 3.59Å; F284-H288 VanDerWaalsContact CA-O 3.22Å; F284-H288 WeakPolarHBondContact CA-O 3.17Å; F284-H288 VanDerWaalsContact CD1-C 3.48Å; F284-V289 HydrophobicContact CD1-CG2 4.27Å; F284-V289 HydrophobicContact CE1-CG2 3.61Å; F284-V289 HydrophobicContact CE2-CG2 4.15Å; F284-V289 HydrophobicContact CZ-CG2 3.55Å
285S92.6Very high95.2Very high14 Ų1453.9 Ų53.910%0.09830%0.299CS..EExtended strand (participates in β ladder)trans-137141.6165.7-171.90000107.5H231 C287 H288 T290H231-S285 PolarHBondContact CD2-OG 3.37Å; S285-C287 PolarHBondContact O-N 3.43Å; S285-C287 VanDerWaalsContact O-N 3.12Å; S285-H288 PolarHBondContact N-O 2.95Å; S285-H288 PolarHBondContact O-N 2.77Å; S285-H288 VanDerWaalsContact O-O 3.04Å; S285-T290 WeakPolarHBondContact CB-OG1 3.47Å; S285-T290 PolarHBondContact N-OG1 3.33Å
286D91.1Very high95.2Very high40 Ų4051.2 Ų51.221%0.21427%0.271CS..THydrogen-bonded Turntrans5240.3176.6-55.3-36.5000112.9S30 G31 K258 T266 H288S30-D286 WeakPolarHBondContact O-CB 3.5Å; S30-D286 VanDerWaalsContact O-CG 3.26Å; G31-D286 VanDerWaalsContact CA-C 3.47Å; G31-D286 WeakPolarHBondContact CA-O 3.26Å; K258-D286 IonicContact NZ-OD1 2.79Å; K258-D286 PolarHBondContact NZ-OD1 3.49Å; T266-D286 PolarHBondContact OG1-N 3.4Å; T266-D286 VanDerWaalsContact OG1-N 3.13Å; D286-H288 PolarHBondContact O-N 3.05Å; D286-H288 PolarHBondContact O-ND1 3.26Å
287C94.8Very high95.1Very high11 Ų1157.2 Ų57.27%0.07429%0.293CS..THydrogen-bonded Turntrans61.818.7-177.1-54.20000115.5V32 T266 H269 S285V32-C287 VanDerWaalsContact C-SG 3.55Å; T266-C287 PolarHBondContact OG1-N 2.89Å; T266-C287 VanDerWaalsContact OG1-N 3.16Å; H269-C287 HydrophobicContact CB-CB 3.97Å; H269-C287 VanDerWaalsContact CB-SG 3.57Å; H269-C287 PolarHBondContact NE2-O 2.99Å; S285-C287 PolarHBondContact O-N 3.43Å; S285-C287 VanDerWaalsContact O-N 3.12Å
288H94.3Very high95.2Very high130 Ų13056.5 Ų56.560%0.60229%0.291SS*.EExtended strand (participates in β ladder)trans-127.6149.3177.4-6481.5000111.5F284 S285 D286 T290F284-H288 CarbonylContact C-O 3.59Å; F284-H288 VanDerWaalsContact CA-O 3.22Å; F284-H288 WeakPolarHBondContact CA-O 3.17Å; F284-H288 VanDerWaalsContact CD1-C 3.48Å; S285-H288 PolarHBondContact N-O 2.95Å; S285-H288 PolarHBondContact O-N 2.77Å; S285-H288 VanDerWaalsContact O-O 3.04Å; D286-H288 PolarHBondContact O-N 3.05Å; D286-H288 PolarHBondContact O-ND1 3.26Å; H288-T290 PolarHBondContact O-N 2.92Å; H288-T290 PolarHBondContact O-OG1 2.93Å
289V95.8Very high95.2Very high73 Ų7354.4 Ų54.444%0.44228%0.278SS..EExtended strand (participates in β ladder)trans-58.8129.5170.6177.70000108.8L279 N282 H283 F284L279-V289 HydrophobicContact CD1-CG2 3.84Å; L279-V289 HydrophobicContact CD2-CG2 4.43Å; N282-V289 HydrophobicContact CB-CG1 4.28Å; N282-V289 HydrophobicContact CB-CG2 4.39Å; H283-V289 WeakPolarHBondContact O-CA 3.48Å; F284-V289 HydrophobicContact CD1-CG2 4.27Å; F284-V289 HydrophobicContact CE1-CG2 3.61Å; F284-V289 HydrophobicContact CE2-CG2 4.15Å; F284-V289 HydrophobicContact CZ-CG2 3.55Å
290T91.6Very high95.2Very high49 Ų4956.5 Ų56.530%0.30129%0.293SS..  trans-126.7148-174-67.10000110.8H283 S285 H288H283-T290 PolarHBondContact O-N 3.19Å; S285-T290 WeakPolarHBondContact CB-OG1 3.47Å; S285-T290 PolarHBondContact N-OG1 3.33Å; H288-T290 PolarHBondContact O-N 2.92Å; H288-T290 PolarHBondContact O-OG1 2.93Å
291W90.1Very high95.1Very high192 Ų19256.1 Ų56.173%0.72729%0.288SS*.  trans-65.4141.1176.5-85.294.8000112.3
292V94.3Very high95.1Very high16 Ų1655.9 Ų55.910%0.09729%0.286CS..  trans-114.4162.8176.7-58.20000111.1I210 H283 A296 R297I210-V292 HydrophobicContact CD1-CG1 4.16Å; I210-V292 HydrophobicContact CG2-CG1 4.18Å; H283-V292 HydrophobicContact CB-CG1 3.27Å; V292-A296 HydrophobicContact CB-CB 3.69Å; V292-A296 HydrophobicContact CG2-CB 3.65Å; V292-R297 HydrophobicContact CG2-CG 3.64Å
293S92.8Very high95.1Very high13 Ų1358.7 Ų58.79%0.09129%0.292CS..  trans-57160.2178.778.90000113.2H180 Q295 A296 R297H180-S293 PolarHBondContact NE2-N 2.72Å; S293-Q295 VanDerWaalsContact C-N 3.26Å; S293-Q295 PolarHBondContact O-N 3.45Å; S293-A296 WeakPolarHBondContact O-CB 3.26Å; S293-A296 PolarHBondContact O-N 2.91Å; S293-A296 VanDerWaalsContact O-N 3.09Å; S293-A296 WeakPolarHBondContact OG-CB 3.1Å; S293-A296 PolarHBondContact OG-N 3.39Å; S293-R297 PolarHBondContact O-N 2.91Å
294A95.1Very high95.1Very high73 Ų7365 Ų6560%0.60332%0.315SS*.SBendtrans-59.9-37.2176.500000112.4A296 R297A294-A296 VanDerWaalsContact C-N 3.33Å; A294-A296 PolarHBondContact O-N 2.88Å; A294-R297 PolarHBondContact O-N 3.45Å
295Q94.3Very high95.2Very high55 Ų5565 Ų6526%0.25732%0.315SS..G310 helixtrans-63.7-40173.8-75.3-137.3-1.200112R184 I185 L207 S293 R297 N298R184-Q295 VanDerWaalsContact CA-OE1 3.3Å; I185-Q295 VanDerWaalsContact N-OE1 3.14Å; L207-Q295 HydrophobicContact CD1-CB 4.4Å; L207-Q295 HydrophobicContact CD2-CB 3.96Å; S293-Q295 VanDerWaalsContact C-N 3.26Å; S293-Q295 PolarHBondContact O-N 3.45Å; Q295-R297 PolarHBondContact O-N 3.33Å; Q295-R297 VanDerWaalsContact O-N 3.15Å; Q295-N298 WeakPolarHBondContact O-CB 3.27Å; Q295-N298 PolarHBondContact O-N 2.98Å; Q295-N298 VanDerWaalsContact O-N 3.08Å
296A94.8Very high95.4Very high0 Ų064.8 Ų64.80%031%0.313CS..G310 helixtrans-69.1-4176.900000113.9L207 I210 Q214 V292 S293 A294L207-A296 HydrophobicContact CD1-CB 3.53Å; I210-A296 HydrophobicContact CG2-CB 4.01Å; Q214-A296 PolarHBondContact NE2-O 2.96Å; Q214-A296 PolarHBondContact OE1-O 3.26Å; V292-A296 HydrophobicContact CB-CB 3.69Å; V292-A296 HydrophobicContact CG2-CB 3.65Å; S293-A296 WeakPolarHBondContact O-CB 3.26Å; S293-A296 PolarHBondContact O-N 2.91Å; S293-A296 VanDerWaalsContact O-N 3.09Å; S293-A296 WeakPolarHBondContact OG-CB 3.1Å; S293-A296 PolarHBondContact OG-N 3.39Å; A294-A296 VanDerWaalsContact C-N 3.33Å; A294-A296 PolarHBondContact O-N 2.88Å
297R94.7Very high95.8Very high137 Ų13765.2 Ų65.252%0.51732%0.315SS..G310 helixtrans-106.12.4172.3-66.5-178.7-77.9146.4-3.7112.6V292 S293 A294 Q295 E299V292-R297 HydrophobicContact CG2-CG 3.64Å; S293-R297 PolarHBondContact O-N 2.91Å; A294-R297 PolarHBondContact O-N 3.45Å; Q295-R297 PolarHBondContact O-N 3.33Å; Q295-R297 VanDerWaalsContact O-N 3.15Å; R297-E299 PolarHBondContact O-N 3.44Å
298N97.4Very high95.9Very high63 Ų6366.4 Ų66.434%0.33732%0.322SS..  trans-88.8100.5-176.3-171.4-41000110.3Q295 T300 I301 A302Q295-N298 WeakPolarHBondContact O-CB 3.27Å; Q295-N298 PolarHBondContact O-N 2.98Å; Q295-N298 VanDerWaalsContact O-N 3.08Å; N298-T300 VanDerWaalsContact C-N 3.27Å; N298-T300 PolarHBondContact O-N 2.95Å; N298-T300 WeakPolarHBondContact OD1-CB 3.48Å; N298-T300 PolarHBondContact OD1-N 3.43Å; N298-T300 VanDerWaalsContact OD1-N 3.08Å; N298-I301 HydrophobicContact CB-CB 4.11Å; N298-I301 HydrophobicContact CB-CD1 3.86Å; N298-I301 HydrophobicContact CB-CG1 4Å; N298-I301 PolarHBondContact O-N 2.83Å; N298-I301 VanDerWaalsContact O-N 3.15Å; N298-I301 PolarHBondContact OD1-N 2.84Å; N298-A302 PolarHBondContact O-N 3.32Å
299E96.7Very high96.1Very high112 Ų11260.2 Ų60.252%0.52329%0.293SS..Hα-helixtrans-60.5-34.2-179.8-64-174.2178.900113.3R297 I301 A302 R303R297-E299 PolarHBondContact O-N 3.44Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.28Å; E299-A302 PolarHBondContact O-N 3.42Å; E299-R303 WeakPolarHBondContact O-CB 3.44Å; E299-R303 PolarHBondContact O-N 2.85Å
300T97.9Very high96.2Very high99 Ų9956.7 Ų56.761%0.60727%0.272SS*.Hα-helixtrans-64.8-40177.1-54.50000111.2N298 R304N298-T300 VanDerWaalsContact C-N 3.27Å; N298-T300 PolarHBondContact O-N 2.95Å; N298-T300 WeakPolarHBondContact OD1-CB 3.48Å; N298-T300 PolarHBondContact OD1-N 3.43Å; N298-T300 VanDerWaalsContact OD1-N 3.08Å; T300-R304 VanDerWaalsContact O-CB 3.29Å; T300-R304 WeakPolarHBondContact O-CB 3.45Å; T300-R304 PolarHBondContact O-N 3.4Å
301I97.8Very high96.5Very high28 Ų2859.4 Ų59.414%0.14429%0.285CS..Hα-helixtrans-66.9-42.4174-64.6177.3000110.1I185 F187 L211 N298 E299 R304 L305I185-I301 HydrophobicContact CB-CG2 3.98Å; I185-I301 HydrophobicContact CG1-CG2 4.01Å; I185-I301 HydrophobicContact CG2-CG2 4.48Å; F187-I301 HydrophobicContact CE2-CG2 4.21Å; F187-I301 HydrophobicContact CZ-CG2 4.02Å; L211-I301 HydrophobicContact CD1-CG2 3.77Å; L211-I301 HydrophobicContact CD2-CG2 4.47Å; N298-I301 HydrophobicContact CB-CB 4.11Å; N298-I301 HydrophobicContact CB-CD1 3.86Å; N298-I301 HydrophobicContact CB-CG1 4Å; N298-I301 PolarHBondContact O-N 2.83Å; N298-I301 VanDerWaalsContact O-N 3.15Å; N298-I301 PolarHBondContact OD1-N 2.84Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.28Å; I301-R304 PolarHBondContact O-N 2.86Å; I301-L305 VanDerWaalsContact O-CB 3.24Å; I301-L305 WeakPolarHBondContact O-CB 3.23Å; I301-L305 PolarHBondContact O-N 2.99Å
302A98.3Very high96.8Very high2 Ų253.2 Ų53.22%0.01727%0.265CS..Hα-helixtrans-59.6-48.8178.300000112L211 E215 N298 E299 L305 W306L211-A302 HydrophobicContact CB-CB 4.15Å; L211-A302 HydrophobicContact CD2-CB 3.85Å; E215-A302 HydrophobicContact CB-CB 4.35Å; N298-A302 PolarHBondContact O-N 3.32Å; E299-A302 PolarHBondContact O-N 3.42Å; A302-L305 PolarHBondContact O-N 3.24Å; A302-W306 PolarHBondContact O-N 3.45Å
303R98Very high97Very high116 Ų11653.1 Ų53.144%0.43826%0.264SS..Hα-helixtrans-61.4-49.3177.7-170.1-179.6-59.1137.76.9111.6E215 E299 L305 W306 D307E215-R303 WeakPolarHBondContact OE2-CA 3.27Å; E215-R303 WeakPolarHBondContact OE2-CB 3.27Å; E215-R303 PolarHBondContact OE2-N 3.25Å; E299-R303 WeakPolarHBondContact O-CB 3.44Å; E299-R303 PolarHBondContact O-N 2.85Å; R303-L305 VanDerWaalsContact C-N 3.28Å; R303-L305 PolarHBondContact O-N 2.86Å; R303-W306 VanDerWaalsContact O-CB 3.31Å; R303-W306 WeakPolarHBondContact O-CB 3.28Å; R303-W306 PolarHBondContact O-N 2.85Å; R303-W306 VanDerWaalsContact O-N 3.13Å; R303-D307 VanDerWaalsContact O-CG 3.23Å; R303-D307 PolarHBondContact O-N 3.25Å
304R97.9Very high97.2Very high139 Ų13955.6 Ų55.653%0.52529%0.292SS..Hα-helixtrans-62.3-36.1178-174.7175.6175.9178.53.7112.6F187 T300 I301 W306 D307 V308F187-R304 HydrophobicContact CD1-CG 4.12Å; F187-R304 HydrophobicContact CD2-CG 4.41Å; F187-R304 HydrophobicContact CE1-CB 4.15Å; F187-R304 HydrophobicContact CE1-CG 3.7Å; F187-R304 HydrophobicContact CE2-CB 4.3Å; F187-R304 HydrophobicContact CE2-CG 4.03Å; F187-R304 HydrophobicContact CG-CG 4.45Å; F187-R304 HydrophobicContact CZ-CB 3.75Å; F187-R304 HydrophobicContact CZ-CG 3.64Å; T300-R304 VanDerWaalsContact O-CB 3.29Å; T300-R304 WeakPolarHBondContact O-CB 3.45Å; T300-R304 PolarHBondContact O-N 3.4Å; I301-R304 PolarHBondContact O-N 2.86Å; R304-W306 VanDerWaalsContact C-N 3.35Å; R304-D307 PolarHBondContact O-N 3.47Å; R304-V308 HydrophobicContact CG-CG2 4.42Å; R304-V308 WeakPolarHBondContact O-CB 3.46Å; R304-V308 VanDerWaalsContact O-CG2 3.27Å; R304-V308 WeakPolarHBondContact O-CG2 3.11Å; R304-V308 PolarHBondContact O-N 2.9Å
305L98.4Very high97.2Very high2 Ų252.9 Ų52.91%0.0127%0.267CS..Hα-helixtrans-67.4-37.6176.3179.264.6000111.7I185 F187 A208 L211 I301 A302 R303 S309I185-L305 HydrophobicContact CD1-CD2 4.4Å; I185-L305 HydrophobicContact CG2-CD1 4.22Å; F187-L305 HydrophobicContact CE1-CB 4.12Å; F187-L305 HydrophobicContact CE1-CD1 4.41Å; F187-L305 HydrophobicContact CZ-CB 4.3Å; A208-L305 HydrophobicContact CB-CD2 3.77Å; L211-L305 HydrophobicContact CB-CD2 3.94Å; L211-L305 HydrophobicContact CD1-CD2 3.89Å; I301-L305 VanDerWaalsContact O-CB 3.24Å; I301-L305 WeakPolarHBondContact O-CB 3.23Å; I301-L305 PolarHBondContact O-N 2.99Å; A302-L305 PolarHBondContact O-N 3.24Å; R303-L305 VanDerWaalsContact C-N 3.28Å; R303-L305 PolarHBondContact O-N 2.86Å; L305-S309 VanDerWaalsContact O-CB 3.24Å; L305-S309 WeakPolarHBondContact O-CB 3.25Å; L305-S309 PolarHBondContact O-N 3.4Å; L305-S309 PolarHBondContact O-OG 2.94Å
306W98.4Very high96.9Very high10 Ų1054.1 Ų54.14%0.03828%0.28CS..Hα-helixtrans-60-52.7172.2-177.7-74.8000111.3F154 F212 E215 L216 R219 A302 R303 R304 V308 S309 C310F154-W306 AromaticContact CE2-CD2 3.69Å; F154-W306 HydrophobicContact CE2-CD2 3.69Å; F154-W306 AromaticContact CE2-CE3 3.59Å; F154-W306 HydrophobicContact CE2-CE3 3.59Å; F154-W306 HydrophobicContact CE2-CG 4.16Å; F154-W306 HydrophobicContact CE2-CH2 4.42Å; F154-W306 AromaticContact CE2-CZ3 3.98Å; F154-W306 HydrophobicContact CE2-CZ3 3.98Å; F154-W306 AromaticContact CZ-CD2 3.78Å; F154-W306 HydrophobicContact CZ-CD2 3.78Å; F154-W306 AromaticContact CZ-CE2 3.83Å; F154-W306 HydrophobicContact CZ-CE3 4.11Å; F154-W306 HydrophobicContact CZ-CG 4.12Å; F154-W306 HydrophobicContact CZ-CH2 4.5Å; F154-W306 HydrophobicContact CZ-CZ2 4.2Å; F154-W306 HydrophobicContact CZ-CZ3 4.46Å; F212-W306 HydrophobicContact CD2-CE3 4.02Å; F212-W306 AromaticContact CD2-CZ3 3.81Å; F212-W306 HydrophobicContact CD2-CZ3 3.81Å; F212-W306 HydrophobicContact CE2-CE3 4.16Å; F212-W306 HydrophobicContact CE2-CH2 4.26Å; F212-W306 AromaticContact CE2-CZ3 3.55Å; F212-W306 HydrophobicContact CE2-CZ3 3.55Å; E215-W306 HydrophobicContact CB-CE3 3.98Å; E215-W306 HydrophobicContact CG-CB 3.84Å; E215-W306 HydrophobicContact CG-CD2 3.71Å; E215-W306 HydrophobicContact CG-CE3 3.36Å; E215-W306 HydrophobicContact CG-CG 3.93Å; E215-W306 HydrophobicContact CG-CZ3 4.17Å; L216-W306 HydrophobicContact CB-CZ3 3.95Å; L216-W306 HydrophobicContact CD1-CH2 3.52Å; L216-W306 HydrophobicContact CD1-CZ3 3.74Å; L216-W306 HydrophobicContact CG-CZ3 4.44Å; R219-W306 VanDerWaalsContact CD-CZ2 3.48Å; A302-W306 PolarHBondContact O-N 3.45Å; R303-W306 VanDerWaalsContact O-CB 3.31Å; R303-W306 WeakPolarHBondContact O-CB 3.28Å; R303-W306 PolarHBondContact O-N 2.85Å; R303-W306 VanDerWaalsContact O-N 3.13Å; R304-W306 VanDerWaalsContact C-N 3.35Å; W306-V308 PolarHBondContact O-N 3.47Å; W306-S309 CarbonylContact O-C 3.51Å; W306-S309 WeakPolarHBondContact O-CA 3.31Å; W306-S309 WeakPolarHBondContact O-CB 3.43Å; W306-S309 PolarHBondContact O-N 3.37Å; W306-C310 PolarHBondContact O-N 3.29Å
307D97.9Very high95.8Very high50 Ų5058.6 Ų58.627%0.26730%0.302SS..Hα-helixtrans-55.9-50.7180-61.3-15.8000111R219 R303 R304 S309 C310 D311 M317R219-D307 IonicContact NH2-OD1 3.81Å; R303-D307 VanDerWaalsContact O-CG 3.23Å; R303-D307 PolarHBondContact O-N 3.25Å; R304-D307 PolarHBondContact O-N 3.47Å; D307-S309 VanDerWaalsContact C-N 3.25Å; D307-S309 PolarHBondContact O-N 2.77Å; D307-C310 WeakPolarHBondContact O-CB 3.02Å; D307-C310 PolarHBondContact O-N 2.89Å; D307-C310 VanDerWaalsContact O-N 3.17Å; D307-D311 PolarHBondContact O-N 3.38Å; D307-M317 HydrophobicContact CB-CE 3.53Å; D307-M317 HydrophobicContact CB-SD 4.32Å; D307-M317 WeakPolarHBondContact O-CE 3.49Å
308V97.8Very high94Very high35 Ų3559 Ų5921%0.21231%0.314CS..Hα-helixtrans-62.2-34.1177169.70000111.9F187 L190 R304 W306 L312F187-V308 HydrophobicContact CD1-CG2 4.05Å; F187-V308 HydrophobicContact CE1-CG2 4.37Å; L190-V308 HydrophobicContact CD2-CG1 4.01Å; R304-V308 HydrophobicContact CG-CG2 4.42Å; R304-V308 WeakPolarHBondContact O-CB 3.46Å; R304-V308 VanDerWaalsContact O-CG2 3.27Å; R304-V308 WeakPolarHBondContact O-CG2 3.11Å; R304-V308 PolarHBondContact O-N 2.9Å; W306-V308 PolarHBondContact O-N 3.47Å; V308-L312 HydrophobicContact CG1-CD1 3.84Å; V308-L312 HydrophobicContact CG1-CG 4.25Å; V308-L312 WeakPolarHBondContact O-CB 3.37Å; V308-L312 WeakPolarHBondContact O-CG 3.34Å; V308-L312 PolarHBondContact O-N 2.98Å
309S98.4Very high93.9Very high0 Ų058.8 Ų58.80%031%0.313CS..Hα-helixtrans-70-40.5177.7-58.60000110.9H150 L305 W306 D307 L313H150-S309 PolarHBondContact NE2-OG 2.83Å; L305-S309 VanDerWaalsContact O-CB 3.24Å; L305-S309 WeakPolarHBondContact O-CB 3.25Å; L305-S309 PolarHBondContact O-N 3.4Å; L305-S309 PolarHBondContact O-OG 2.94Å; W306-S309 CarbonylContact O-C 3.51Å; W306-S309 WeakPolarHBondContact O-CA 3.31Å; W306-S309 WeakPolarHBondContact O-CB 3.43Å; W306-S309 PolarHBondContact O-N 3.37Å; D307-S309 VanDerWaalsContact C-N 3.25Å; D307-S309 PolarHBondContact O-N 2.77Å; S309-L313 WeakPolarHBondContact O-CB 3.24Å; S309-L313 WeakPolarHBondContact O-CD1 3.5Å; S309-L313 VanDerWaalsContact O-CG 3.25Å; S309-L313 WeakPolarHBondContact O-CG 3.24Å; S309-L313 PolarHBondContact O-N 2.93Å; S309-L313 VanDerWaalsContact O-N 3.14Å
310C98.2Very high93.7Very high0 Ų055.9 Ų55.90%030%0.302CS..Hα-helixtrans-60.9-48.4171.7-75.40000111.6W306 D307 L312 L313 G314 L315 M317W306-C310 PolarHBondContact O-N 3.29Å; D307-C310 WeakPolarHBondContact O-CB 3.02Å; D307-C310 PolarHBondContact O-N 2.89Å; D307-C310 VanDerWaalsContact O-N 3.17Å; C310-L312 PolarHBondContact O-N 3.07Å; C310-L313 CarbonylContact O-C 3.58Å; C310-L313 PolarHBondContact O-N 3.39Å; C310-L313 VanDerWaalsContact O-N 3.16Å; C310-G314 PolarHBondContact O-N 3.34Å; C310-L315 HydrophobicContact CB-CB 4.2Å; C310-L315 PolarHBondContact O-N 3.48Å; C310-M317 HydrophobicContact CB-SD 3.51Å; C310-M317 VanDerWaalsContact CB-SD 3.51Å
311D97.2Very high93.5Very high106 Ų10653.6 Ų53.657%0.56729%0.285SS*.Hα-helixtrans-57.8-49.2178.7-72-21.1000111.8D307 L313 G314 M317D307-D311 PolarHBondContact O-N 3.38Å; D311-L313 PolarHBondContact O-N 2.97Å; D311-G314 PolarHBondContact O-N 3.18Å; D311-M317 VanDerWaalsContact OD1-CE 3.22Å; D311-M317 WeakPolarHBondContact OD1-CE 3.46Å
312L97.2Very high93.2Very high62 Ų6255.1 Ų55.133%0.32529%0.293SS..Hα-helixtrans-61.8-32.9179.5-73.2171.4000112.4F142 L151 L190 V308 C310F142-L312 HydrophobicContact CE1-CB 3.98Å; F142-L312 HydrophobicContact CE1-CD2 4.03Å; F142-L312 HydrophobicContact CE1-CG 4.46Å; F142-L312 HydrophobicContact CZ-CB 4.2Å; F142-L312 WeakPolarHBondContact CZ-O 3.41Å; L151-L312 HydrophobicContact CD1-CD1 4.17Å; L151-L312 HydrophobicContact CD2-CD1 4.34Å; L190-L312 HydrophobicContact CD2-CD1 4Å; V308-L312 HydrophobicContact CG1-CD1 3.84Å; V308-L312 HydrophobicContact CG1-CG 4.25Å; V308-L312 WeakPolarHBondContact O-CB 3.37Å; V308-L312 WeakPolarHBondContact O-CG 3.34Å; V308-L312 PolarHBondContact O-N 2.98Å; C310-L312 PolarHBondContact O-N 3.07Å
313L97.8Very high92.9Very high13 Ų1358.4 Ų58.47%0.06831%0.311CS..Hα-helixtrans-94.6-1.2-176.7-67168.3000113.5T104 R108 F142 L151 F154 L155 S309 C310 D311 L315T104-L313 HydrophobicContact CG2-CD2 3.89Å; R108-L313 PolarHBondContact NH2-O 3.04Å; F142-L313 HydrophobicContact CE2-CD2 4.04Å; F142-L313 HydrophobicContact CZ-CD2 4.42Å; L151-L313 HydrophobicContact CB-CD2 4.48Å; L151-L313 HydrophobicContact CD2-CD1 4.29Å; F154-L313 HydrophobicContact CB-CD1 4.36Å; F154-L313 HydrophobicContact CD1-CD1 3.53Å; F154-L313 HydrophobicContact CE1-CD1 4.28Å; F154-L313 HydrophobicContact CG-CD1 4.31Å; L155-L313 HydrophobicContact CB-CD1 3.95Å; L155-L313 HydrophobicContact CB-CD2 4.26Å; L155-L313 HydrophobicContact CD2-CD2 4.32Å; S309-L313 WeakPolarHBondContact O-CB 3.24Å; S309-L313 WeakPolarHBondContact O-CD1 3.5Å; S309-L313 VanDerWaalsContact O-CG 3.25Å; S309-L313 WeakPolarHBondContact O-CG 3.24Å; S309-L313 PolarHBondContact O-N 2.93Å; S309-L313 VanDerWaalsContact O-N 3.14Å; C310-L313 CarbonylContact O-C 3.58Å; C310-L313 PolarHBondContact O-N 3.39Å; C310-L313 VanDerWaalsContact O-N 3.16Å; D311-L313 PolarHBondContact O-N 2.97Å; L313-L315 VanDerWaalsContact C-N 3.28Å; L313-L315 HydrophobicContact CB-CD1 3.9Å; L313-L315 HydrophobicContact CB-CG 3.86Å; L313-L315 HydrophobicContact CD1-CD1 4.11Å; L313-L315 PolarHBondContact O-N 3.37Å
314G96.5Very high92.6Very high65 Ų6554.5 Ų54.567%0.6730%0.302SS*.THydrogen-bonded Turntrans59.638.4-174.900000112.6C310 D311C310-G314 PolarHBondContact O-N 3.34Å; D311-G314 PolarHBondContact O-N 3.18Å
315L95.8Very high92.2Very high16 Ų1648.5 Ų48.58%0.08429%0.286CS..  trans-95150.2177.3-64.2174.1000110.3F154 L155 H158 C310 L313F154-L315 HydrophobicContact CD1-CD1 4.14Å; F154-L315 HydrophobicContact CE1-CD1 3.88Å; L155-L315 HydrophobicContact CD1-CD1 4.02Å; L155-L315 HydrophobicContact CD1-CD2 3.89Å; L155-L315 HydrophobicContact CD1-CG 4.33Å; H158-L315 HydrophobicContact CB-CD1 4.08Å; C310-L315 HydrophobicContact CB-CB 4.2Å; C310-L315 PolarHBondContact O-N 3.48Å; L313-L315 VanDerWaalsContact C-N 3.28Å; L313-L315 HydrophobicContact CB-CD1 3.9Å; L313-L315 HydrophobicContact CB-CG 3.86Å; L313-L315 HydrophobicContact CD1-CD1 4.11Å; L313-L315 PolarHBondContact O-N 3.37Å
316P87.9Confident91.7Very high82 Ų8252.1 Ų52.153%0.53231%0.307SS..  trans-60.5143.7173.527-33.5000110.6D318P316-D318 PolarHBondContact O-N 3.48Å
317M71.3Confident91.2Very high94 Ų9455.6 Ų55.646%0.46333%0.33SS..  trans-81.5110.1170-63.9-67.6-128.900107.9D307 C310 D311D307-M317 HydrophobicContact CB-CE 3.53Å; D307-M317 HydrophobicContact CB-SD 4.32Å; D307-M317 WeakPolarHBondContact O-CE 3.49Å; C310-M317 HydrophobicContact CB-SD 3.51Å; C310-M317 VanDerWaalsContact CB-SD 3.51Å; D311-M317 VanDerWaalsContact OD1-CE 3.22Å; D311-M317 WeakPolarHBondContact OD1-CE 3.46Å
318D58.3Low90.6Very high144 Ų14456.1 Ų56.177%0.7734%0.336SS*.  trans-77.30171.1-62.8-33.3000111.6H158 R219 P316H158-D318 IonicContact CE1-OD2 3.92Å; R219-D318 PolarHBondContact NH1-O 3.41Å; P316-D318 PolarHBondContact O-N 3.48Å

Retrieved 318 of 318 residues in 647.1 ms (Link to these results)

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