A0A087YID6_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor. Has a broad spectrum of substrates such as apomucin-, MUC5AC-, MUC1- and MUC2-derived peptides.

AlphaFold DB , UniProt , Accession A0A087YID6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 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
1M56.9Low70.4Confident226 Ų226144.7 Ų144.7100%1.11368%0.684SS**  0-31.60-77.8-174-88.900115.4
2R57.7Low71.3Confident225 Ų225137.3 Ų137.385%0.84967%0.665SS**Hα-helixtrans-71.2-27.8-177.2-80.8-179.2171175.7-3.3117Y6R2-Y6 PolarHBondContact O-N 3.19Å
3R57.9Low72.4Confident233 Ų233132.2 Ų132.288%0.87965%0.647SS**Hα-helixtrans-71.7-31.8178.9-73.1-175.4176.7177.4-1.2113.7C7R3-C7 PolarHBondContact O-N 3.49Å
4F61.7Low73.3Confident163 Ų163127 Ų12772%0.71563%0.631SS**Hα-helixtrans-72.5-33.6178.6-119.4-84.9000112.5K8F4-K8 WeakPolarHBondContact O-CG 3.44Å; F4-K8 PolarHBondContact O-N 2.72Å; F4-K8 VanDerWaalsContact O-N 3.11Å
5A68.3Low74.1Confident54 Ų54126.6 Ų126.645%0.44663%0.631SS.*Hα-helixtrans-66.9-42.1174.900000111.5K8 V9A5-K8 PolarHBondContact O-N 3.35Å; A5-V9 WeakPolarHBondContact O-CG2 3.45Å; A5-V9 PolarHBondContact O-N 3.17Å
6Y74.6Confident75Confident177 Ų177124.4 Ų124.469%0.69463%0.627SS**Hα-helixtrans-61.6-44.6175-101.2-88000112.4R2 K8 V9 V10R2-Y6 PolarHBondContact O-N 3.19Å; Y6-K8 VanDerWaalsContact C-N 3.32Å; Y6-K8 PolarHBondContact O-N 2.65Å; Y6-V9 PolarHBondContact O-N 3.22Å; Y6-V10 WeakPolarHBondContact O-CG2 3.45Å; Y6-V10 PolarHBondContact O-N 3.28Å
7C74.4Confident75.6Confident80 Ų80126.8 Ų126.854%0.54163%0.626SS.*Hα-helixtrans-60.5-40.4175.4-110.40000112.4R3 L11R3-C7 PolarHBondContact O-N 3.49Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CG 3.29Å; C7-L11 PolarHBondContact O-N 3.34Å
8K75.3Confident76.3Confident145 Ų145124.8 Ų124.863%0.6362%0.622SS**Hα-helixtrans-65.7-39.8177-75.4-176.1177.7-171.80112.5F4 A5 Y6 A12F4-K8 WeakPolarHBondContact O-CG 3.44Å; F4-K8 PolarHBondContact O-N 2.72Å; F4-K8 VanDerWaalsContact O-N 3.11Å; A5-K8 PolarHBondContact O-N 3.35Å; Y6-K8 VanDerWaalsContact C-N 3.32Å; Y6-K8 PolarHBondContact O-N 2.65Å; K8-A12 VanDerWaalsContact O-CB 3.24Å; K8-A12 WeakPolarHBondContact O-CB 3.46Å; K8-A12 PolarHBondContact O-N 3.15Å
9V83.1Confident76.6Confident90 Ų90124.7 Ų124.755%0.54562%0.621SS.*Hα-helixtrans-67.1-46.2177.2173.10000110.5A5 Y6 L11 A12 T13A5-V9 WeakPolarHBondContact O-CG2 3.45Å; A5-V9 PolarHBondContact O-N 3.17Å; Y6-V9 PolarHBondContact O-N 3.22Å; V9-L11 PolarHBondContact O-N 3.07Å; V9-A12 PolarHBondContact O-N 3.26Å; V9-T13 HydrophobicContact CG1-CG2 4.43Å; V9-T13 WeakPolarHBondContact O-CG2 3.33Å; V9-T13 PolarHBondContact O-N 3.3Å; V9-T13 PolarHBondContact O-OG1 3.16Å
10V83.1Confident77.1Confident80 Ų80122.7 Ų122.749%0.48561%0.612SS.*Hα-helixtrans-60.9-47.4178.1173.30000110.8Y6 A12 T13 S14Y6-V10 WeakPolarHBondContact O-CG2 3.45Å; Y6-V10 PolarHBondContact O-N 3.28Å; V10-A12 PolarHBondContact O-N 3.36Å; V10-T13 WeakPolarHBondContact CA-OG1 3.37Å; V10-T13 PolarHBondContact O-N 3.26Å; V10-T13 PolarHBondContact O-OG1 3.31Å; V10-S14 WeakPolarHBondContact O-CB 3.41Å; V10-S14 PolarHBondContact O-N 3.39Å; V10-S14 PolarHBondContact O-OG 3.19Å; V10-S14 VanDerWaalsContact O-OG 3.09Å
11L81.9Confident77.2Confident119 Ų119121 Ų12162%0.62361%0.606SS**Hα-helixtrans-61.4-42.3176.7-77.5166.5000112.3C7 V9 S14 L15C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 WeakPolarHBondContact O-CG 3.29Å; C7-L11 PolarHBondContact O-N 3.34Å; V9-L11 PolarHBondContact O-N 3.07Å; L11-S14 PolarHBondContact O-N 2.95Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.16Å
12A81.3Confident78.4Confident56 Ų56115 Ų11546%0.46358%0.576SS.*Hα-helixtrans-64.6-43.7177.200000111.6K8 V9 V10 L15 V16K8-A12 VanDerWaalsContact O-CB 3.24Å; K8-A12 WeakPolarHBondContact O-CB 3.46Å; K8-A12 PolarHBondContact O-N 3.15Å; V9-A12 PolarHBondContact O-N 3.26Å; V10-A12 PolarHBondContact O-N 3.36Å; A12-L15 PolarHBondContact O-N 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.37Å; A12-V16 PolarHBondContact O-N 3.38Å
13T85.2Confident79.4Confident70 Ų70111.7 Ų111.743%0.42957%0.568SS.*Hα-helixtrans-66.4-40.1177.450.70000112.1V9 V10 L15 V16 W17V9-T13 HydrophobicContact CG1-CG2 4.43Å; V9-T13 WeakPolarHBondContact O-CG2 3.33Å; V9-T13 PolarHBondContact O-N 3.3Å; V9-T13 PolarHBondContact O-OG1 3.16Å; V10-T13 WeakPolarHBondContact CA-OG1 3.37Å; V10-T13 PolarHBondContact O-N 3.26Å; V10-T13 PolarHBondContact O-OG1 3.31Å; T13-L15 VanDerWaalsContact C-N 3.33Å; T13-L15 PolarHBondContact O-N 3.36Å; T13-V16 PolarHBondContact O-N 3.34Å; T13-W17 PolarHBondContact O-N 3.25Å; T13-W17 VanDerWaalsContact O-N 3.08Å
14S84.8Confident80.2Confident60 Ų60104.3 Ų104.342%0.4255%0.545SS..Hα-helixtrans-65-37.9175.2-64.20000111.8V10 L11 V16 W17 V18V10-S14 WeakPolarHBondContact O-CB 3.41Å; V10-S14 PolarHBondContact O-N 3.39Å; V10-S14 PolarHBondContact O-OG 3.19Å; V10-S14 VanDerWaalsContact O-OG 3.09Å; L11-S14 PolarHBondContact O-N 2.95Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 2.99Å; S14-W17 PolarHBondContact O-N 2.65Å; S14-V18 VanDerWaalsContact O-CG2 3.3Å; S14-V18 WeakPolarHBondContact O-CG2 3.18Å; S14-V18 PolarHBondContact O-N 3.34Å
15L85.4Confident80.8Confident121 Ų121102.3 Ų102.363%0.63454%0.541SS*.Hα-helixtrans-64.6-39.7176.4-147.898000111.7L11 A12 T13 V18 M19L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.16Å; A12-L15 PolarHBondContact O-N 3.3Å; T13-L15 VanDerWaalsContact C-N 3.33Å; T13-L15 PolarHBondContact O-N 3.36Å; L15-V18 PolarHBondContact O-N 3.18Å; L15-M19 WeakPolarHBondContact O-CB 3.47Å; L15-M19 VanDerWaalsContact O-CG 3.25Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.43Å
16V87.7Confident81Confident92 Ų92104 Ų10456%0.55854%0.542SS*.Hα-helixtrans-63.3-44.6176.2170.80000110.9A12 T13 S14 M19 L20A12-V16 WeakPolarHBondContact O-CG2 3.37Å; A12-V16 PolarHBondContact O-N 3.38Å; T13-V16 PolarHBondContact O-N 3.34Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 2.99Å; V16-M19 PolarHBondContact O-N 3.2Å; V16-L20 WeakPolarHBondContact O-CB 3.48Å; V16-L20 PolarHBondContact O-N 3.48Å
17W85.2Confident80.7Confident164 Ų164102.5 Ų102.562%0.62154%0.536SS*.Hα-helixtrans-64-41.1176.5-79.6109.2000112.5T13 S14 M19 L20 D21T13-W17 PolarHBondContact O-N 3.25Å; T13-W17 VanDerWaalsContact O-N 3.08Å; S14-W17 PolarHBondContact O-N 2.65Å; W17-M19 VanDerWaalsContact C-N 3.35Å; W17-M19 PolarHBondContact O-N 3.28Å; W17-L20 PolarHBondContact O-N 3.45Å; W17-D21 WeakPolarHBondContact O-CB 3.27Å; W17-D21 PolarHBondContact O-N 2.79Å
18V88.2Confident79.9Confident91 Ų91104.4 Ų104.455%0.55254%0.536SS*.Hα-helixtrans-62.8-41175.3169.90000111.8S14 L15 L20 M22S14-V18 VanDerWaalsContact O-CG2 3.3Å; S14-V18 WeakPolarHBondContact O-CG2 3.18Å; S14-V18 PolarHBondContact O-N 3.34Å; L15-V18 PolarHBondContact O-N 3.18Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-M22 WeakPolarHBondContact O-CB 3.48Å; V18-M22 PolarHBondContact O-N 3.34Å
19M82.9Confident79.2Confident124 Ų124100.7 Ų100.761%0.61153%0.528SS*.Hα-helixtrans-66.7-37.2176.7-71.4-66.3-70.500111.8L15 V16 W17 M22 F23L15-M19 WeakPolarHBondContact O-CB 3.47Å; L15-M19 VanDerWaalsContact O-CG 3.25Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 3.43Å; V16-M19 PolarHBondContact O-N 3.2Å; W17-M19 VanDerWaalsContact C-N 3.35Å; W17-M19 PolarHBondContact O-N 3.28Å; M19-M22 PolarHBondContact O-N 3.35Å; M19-F23 WeakPolarHBondContact O-CB 3.01Å; M19-F23 PolarHBondContact O-N 2.89Å
20L86.1Confident77.6Confident84 Ų84103.2 Ų103.244%0.4453%0.534SS..Hα-helixtrans-70-42178.7-152.7137.6000111.1V16 W17 V18 F23 I24V16-L20 WeakPolarHBondContact O-CB 3.48Å; V16-L20 PolarHBondContact O-N 3.48Å; W17-L20 PolarHBondContact O-N 3.45Å; V18-L20 VanDerWaalsContact C-N 3.34Å; L20-F23 PolarHBondContact O-N 3.08Å; L20-I24 HydrophobicContact CD2-CD1 3.72Å; L20-I24 HydrophobicContact CD2-CG1 4.48Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.84Å
21D79.9Confident75.8Confident88 Ų88102.3 Ų102.347%0.47153%0.53SS..Hα-helixtrans-64.5-40.2172.8-75.6-17.6000111.8W17 F23 I24 L25W17-D21 WeakPolarHBondContact O-CB 3.27Å; W17-D21 PolarHBondContact O-N 2.79Å; D21-F23 VanDerWaalsContact C-N 3.32Å; D21-F23 PolarHBondContact O-N 2.9Å; D21-I24 PolarHBondContact O-N 3.13Å; D21-L25 WeakPolarHBondContact O-CB 3.5Å; D21-L25 VanDerWaalsContact O-CG 3.27Å; D21-L25 WeakPolarHBondContact O-CG 3.32Å; D21-L25 PolarHBondContact O-N 2.94Å
22M81.2Confident73.8Confident100 Ų100102.2 Ų102.249%0.49353%0.53SS..Hα-helixtrans-62.7-38.7173-106.2-133.964.400112.1V18 M19 L25 L26V18-M22 WeakPolarHBondContact O-CB 3.48Å; V18-M22 PolarHBondContact O-N 3.34Å; M19-M22 PolarHBondContact O-N 3.35Å; M22-L25 PolarHBondContact O-N 3.38Å; M22-L26 HydrophobicContact CE-CD1 3.55Å; M22-L26 HydrophobicContact CE-CD2 4.34Å; M22-L26 HydrophobicContact CE-CG 3.81Å; M22-L26 WeakPolarHBondContact O-CB 3.42Å; M22-L26 VanDerWaalsContact O-CG 3.28Å; M22-L26 WeakPolarHBondContact O-CG 3.04Å; M22-L26 PolarHBondContact O-N 3.08Å
23F78.9Confident71.8Confident155 Ų155107.8 Ų107.868%0.6854%0.544SS*.Hα-helixtrans-68.9-40.5177.7-147.5-87.7000111.5M19 L20 D21 L26 Y27M19-F23 WeakPolarHBondContact O-CB 3.01Å; M19-F23 PolarHBondContact O-N 2.89Å; L20-F23 PolarHBondContact O-N 3.08Å; D21-F23 VanDerWaalsContact C-N 3.32Å; D21-F23 PolarHBondContact O-N 2.9Å; F23-L26 PolarHBondContact O-N 3.15Å; F23-Y27 VanDerWaalsContact O-CB 3.26Å; F23-Y27 WeakPolarHBondContact O-CB 3.35Å; F23-Y27 PolarHBondContact O-N 2.96Å
24I75.8Confident69.7Low77 Ų77108.6 Ų108.640%0.39555%0.552SS.*Hα-helixtrans-63.4-45.7173.2-70.2172.1000110.1L20 D21 L26 Y27 F28L20-I24 HydrophobicContact CD2-CD1 3.72Å; L20-I24 HydrophobicContact CD2-CG1 4.48Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 2.84Å; D21-I24 PolarHBondContact O-N 3.13Å; I24-L26 PolarHBondContact O-N 3.47Å; I24-Y27 PolarHBondContact O-N 3.16Å; I24-F28 HydrophobicContact CG2-CD2 3.64Å; I24-F28 HydrophobicContact CG2-CE2 3.84Å; I24-F28 VanDerWaalsContact O-CD2 3.29Å; I24-F28 WeakPolarHBondContact O-CD2 3.14Å; I24-F28 PolarHBondContact O-N 3.38Å
25L74Confident67.4Low121 Ų121112.5 Ų112.563%0.63457%0.568SS**Hα-helixtrans-64.2-38.2177.2-75.5169.1000112.5D21 M22 S29D21-L25 WeakPolarHBondContact O-CB 3.5Å; D21-L25 VanDerWaalsContact O-CG 3.27Å; D21-L25 WeakPolarHBondContact O-CG 3.32Å; D21-L25 PolarHBondContact O-N 2.94Å; M22-L25 PolarHBondContact O-N 3.38Å; L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 3.37Å
26L71.6Confident64.9Low89 Ų89114.2 Ų114.247%0.46658%0.578SS.*Hα-helixtrans-66.8-43.3173.3-76.1170.6000111.4M22 F23 I24 F28 S29 E30M22-L26 HydrophobicContact CE-CD1 3.55Å; M22-L26 HydrophobicContact CE-CD2 4.34Å; M22-L26 HydrophobicContact CE-CG 3.81Å; M22-L26 WeakPolarHBondContact O-CB 3.42Å; M22-L26 VanDerWaalsContact O-CG 3.28Å; M22-L26 WeakPolarHBondContact O-CG 3.04Å; M22-L26 PolarHBondContact O-N 3.08Å; F23-L26 PolarHBondContact O-N 3.15Å; I24-L26 PolarHBondContact O-N 3.47Å; L26-F28 PolarHBondContact O-N 2.84Å; L26-S29 PolarHBondContact O-N 2.88Å; L26-E30 WeakPolarHBondContact O-CG 3.08Å; L26-E30 PolarHBondContact O-N 3.42Å
27Y68.6Low62.3Low147 Ų147118.5 Ų118.558%0.57659%0.589SS**Hα-helixtrans-61.8-41.7176.5-173.9-95.5000112.3F23 I24 C31F23-Y27 VanDerWaalsContact O-CB 3.26Å; F23-Y27 WeakPolarHBondContact O-CB 3.35Å; F23-Y27 PolarHBondContact O-N 2.96Å; I24-Y27 PolarHBondContact O-N 3.16Å; Y27-C31 PolarHBondContact O-N 3.28Å; Y27-C31 VanDerWaalsContact O-N 3.08Å
28F57.7Low59.7Low120 Ų120120 Ų12053%0.52660%0.6SS.*Hα-helixtrans-77.9-27.8175.6-81.3-75000113.4I24 L26 C31 N32I24-F28 HydrophobicContact CG2-CD2 3.64Å; I24-F28 HydrophobicContact CG2-CE2 3.84Å; I24-F28 VanDerWaalsContact O-CD2 3.29Å; I24-F28 WeakPolarHBondContact O-CD2 3.14Å; I24-F28 PolarHBondContact O-N 3.38Å; L26-F28 PolarHBondContact O-N 2.84Å; F28-C31 PolarHBondContact O-N 3.17Å; F28-N32 WeakPolarHBondContact O-CB 3.26Å; F28-N32 PolarHBondContact O-N 2.7Å
29S59.8Low57Low66 Ų66124.8 Ų124.846%0.46262%0.616SS.*Hα-helixtrans-68.9-35.7171.3-178.20000111.9L25 L26 N32 K33L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 3.37Å; L26-S29 PolarHBondContact O-N 2.88Å; S29-N32 PolarHBondContact O-N 2.04Å; S29-K33 PolarHBondContact O-N 3.08Å
30E49.8Very low54.5Low144 Ų144129.9 Ų129.967%0.67363%0.628SS**Hα-helixtrans-71.3-31.4170.5-73.7-172.3166.300112.5L26L26-E30 WeakPolarHBondContact O-CG 3.08Å; L26-E30 PolarHBondContact O-N 3.42Å
31C46Very low51.7Low61 Ų61129 Ų12941%0.41264%0.64SS.*Hα-helixtrans-69.8-38.9169.2-82.70000113.2Y27 F28 K33 C34Y27-C31 PolarHBondContact O-N 3.28Å; Y27-C31 VanDerWaalsContact O-N 3.08Å; F28-C31 PolarHBondContact O-N 3.17Å; C31-K33 PolarHBondContact O-N 3.33Å; C31-C34 VanDerWaalsContact O-CB 3.25Å; C31-C34 WeakPolarHBondContact O-CB 3.26Å; C31-C34 PolarHBondContact O-N 3.42Å
32N40.8Very low49.3Very low117 Ų117133 Ų13363%0.62666%0.66SS**Hα-helixtrans-70.7-14.5179.7-85-4.9000113.6F28 S29 C34F28-N32 WeakPolarHBondContact O-CB 3.26Å; F28-N32 PolarHBondContact O-N 2.7Å; S29-N32 PolarHBondContact O-N 2.04Å; N32-C34 PolarHBondContact O-N 3.41Å
33K38.9Very low47.1Very low172 Ų172134.9 Ų134.975%0.74868%0.68SS**THydrogen-bonded Turntrans-77.1-1.8167.4-84.2-178.4178.1172.20113.9S29 C31S29-K33 PolarHBondContact O-N 3.08Å; C31-K33 PolarHBondContact O-N 3.33Å
34C40.4Very low45Very low88 Ų88130.5 Ų130.560%0.59568%0.679SS**SBendtrans-89.4-21.5174.6-67.10000113.6C31 N32 D36C31-C34 VanDerWaalsContact O-CB 3.25Å; C31-C34 WeakPolarHBondContact O-CB 3.26Å; C31-C34 PolarHBondContact O-N 3.42Å; N32-C34 PolarHBondContact O-N 3.41Å; C34-D36 PolarHBondContact O-N 3.46Å
35D36.6Very low43Very low142 Ų142138.1 Ų138.176%0.75970%0.703SS**THydrogen-bonded Turntrans-81.4-10.9-176.2-91.5-17.5000114.6
36D33.3Very low41Very low156 Ų156140.1 Ų140.183%0.83471%0.714SS**THydrogen-bonded Turntrans-96.32.9176.4-93.9-31.2000114.4C34 K38C34-D36 PolarHBondContact O-N 3.46Å; D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 3.12Å; D36-K38 VanDerWaalsContact O-N 3.15Å
37K32.2Very low39.4Very low183 Ų183142.8 Ų142.880%0.79673%0.734SS**SBendtrans-84.883.2163.1-83.5-176.2-179.81720108.8E39K37-E39 PolarHBondContact O-N 3.26Å
38K30.4Very low37.9Very low194 Ų194142.3 Ų142.384%0.84375%0.746SS**  trans-32.9116.9158.4-94.3178.4174.9174.30110D36 R40D36-K38 VanDerWaalsContact C-N 3.32Å; D36-K38 PolarHBondContact O-N 3.12Å; D36-K38 VanDerWaalsContact O-N 3.15Å; K38-R40 PolarHBondContact O-N 3.34Å
39E31.5Very low36.8Very low192 Ų192143.2 Ų143.290%0.89776%0.756SS**  trans-36.3103.6170-64.1178.7140.100110.5K37 G41K37-E39 PolarHBondContact O-N 3.26Å; E39-G41 PolarHBondContact O-N 2.83Å
40R31Very low35.5Very low231 Ų231143.9 Ų143.987%0.87277%0.773SS**  trans-80.2105.2159.6-76.6-176.4-179.6174.81.5105.5K38K38-R40 PolarHBondContact O-N 3.34Å
41G27.9Very low35.1Very low66 Ų66144.5 Ų144.568%0.6878%0.78SS**  trans-42.1128.3-165.500000115.9E39 P43E39-G41 PolarHBondContact O-N 2.83Å; G41-P43 WeakPolarHBondContact O-CD 3.44Å
42L28.9Very low34.8Very low171 Ų171147.4 Ų147.490%0.89580%0.801SS**  trans-63.5121.2144.7-72.3151.6000107.8G44L42-G44 VanDerWaalsContact C-N 3.31Å; L42-G44 PolarHBondContact O-N 3.39Å; L42-G44 VanDerWaalsContact O-N 3.1Å
43P34.4Very low34.8Very low140 Ų140152.1 Ų152.191%0.90981%0.81SS**  trans-81.190163.431.3-26.1000106.7G41G41-P43 WeakPolarHBondContact O-CD 3.44Å
44G35.2Very low35.1Very low64 Ų64149 Ų14966%0.6681%0.808SS**  trans-147.255.1-173.700000112.2L42L42-G44 VanDerWaalsContact C-N 3.31Å; L42-G44 PolarHBondContact O-N 3.39Å; L42-G44 VanDerWaalsContact O-N 3.1Å
45R34.8Very low36.2Very low237 Ų237151.7 Ų151.789%0.89481%0.805SS**SBendtrans-163.293158.8-112.1173.2-178.5169.70.4108.3
46D30.5Very low38Very low162 Ų162151.9 Ų151.987%0.86681%0.806SS**  trans169.771.2146.1-81.5-13.3000107.4
47V39.8Very low40.5Very low146 Ų146146.7 Ų146.789%0.88579%0.79SS**  trans-120.574.6164.7-175.90000106.6
48V37.2Very low43.3Very low136 Ų136141 Ų14182%0.82477%0.771SS**SBendtrans-144127.1155.1-174.30000106.6
49D32.9Very low46.4Very low140 Ų140131.9 Ų131.975%0.74973%0.733SS**  trans8295.8171.8-118.3-1.6000118.4
50G33.8Very low49.4Very low79 Ų79124.1 Ų124.181%0.81470%0.697SS**  trans-12651.3-179.600000112.7
51L39.8Very low52.4Low158 Ų158114.4 Ų114.483%0.82767%0.668SS**SBendtrans-110.4111.9158.9-89.8146.1000107.7
52S40.9Very low55.6Low122 Ų122111.4 Ų111.485%0.85364%0.638SS**SBendtrans68.984.717768.90000117.5
53R39.8Very low58.8Low216 Ų216110.2 Ų110.282%0.81563%0.625SS**  trans-126.8145.3152.6-71-170.1-175.8-175.74109.8R55R53-R55 PolarHBondContact O-N 3.49Å
54P45.6Very low61.7Low107 Ų107106.3 Ų106.370%0.69560%0.6SS**  trans-62.5131.7173.3-5.219.1000108.5D56P54-D56 VanDerWaalsContact C-N 3.32Å; P54-D56 PolarHBondContact O-N 3.24Å
55R63.8Low64.6Low144 Ų144103.5 Ų103.554%0.54357%0.57SS.*  trans-75.391.2173.9-56.7-173.9-179.1-153.9-2.6107.5R53 E60 N95R53-R55 PolarHBondContact O-N 3.49Å; R55-E60 VanDerWaalsContact CB-CD 3.46Å; R55-E60 HydrophobicContact CB-CG 3.77Å; R55-E60 WeakPolarHBondContact CB-OE1 3Å; R55-E60 WeakPolarHBondContact CD-OE1 3.44Å; R55-E60 VanDerWaalsContact O-CG 3.3Å; R55-E60 WeakPolarHBondContact O-CG 3.32Å; R55-N95 PolarHBondContact NH1-O 3.11Å; R55-N95 VanDerWaalsContact NH1-O 3.13Å
56D73.6Confident67.3Low145 Ų14598.1 Ų98.178%0.77556%0.563SS**  trans-121.1118175.6-75-37.8000108.7P54P54-D56 VanDerWaalsContact C-N 3.32Å; P54-D56 PolarHBondContact O-N 3.24Å
57G86.5Confident70.2Confident48 Ų4891 Ų9150%0.49553%0.525SS..SBendtrans175.5168.2-179.400000113.4G59 E60G57-G59 PolarHBondContact O-N 2.77Å; G57-E60 WeakPolarHBondContact O-CB 3.36Å; G57-E60 PolarHBondContact O-N 3.5Å
58P92.1Very high72.7Confident62 Ų6286.9 Ų86.940%0.40350%0.502SS..THydrogen-bonded Turntrans-56.5129.9177.1-23.534.2000111.9E60 V65 M91P58-E60 VanDerWaalsContact C-N 3.27Å; P58-E60 PolarHBondContact O-N 2.85Å; P58-V65 HydrophobicContact CB-CG1 4.25Å; P58-V65 HydrophobicContact CB-CG2 4.09Å; P58-M91 HydrophobicContact CB-CB 4.3Å; P58-M91 HydrophobicContact CG-CB 4.49Å; P58-M91 HydrophobicContact CG-CE 4.19Å
59G93.8Very high75.2Confident4 Ų489.8 Ų89.84%0.04150%0.503CS..THydrogen-bonded Turntrans765.6175.300000116.3G57 G62 K63 R96G57-G59 PolarHBondContact O-N 2.77Å; G59-G62 PolarHBondContact O-N 3.26Å; G59-K63 WeakPolarHBondContact CA-O 3.38Å; G59-R96 WeakPolarHBondContact O-CD 3.31Å; G59-R96 PolarHBondContact O-NH1 2.63Å; G59-R96 VanDerWaalsContact O-NH1 3.11Å
60E95.4Very high78Confident28 Ų2892 Ų9213%0.13151%0.509CS..G310 helixtrans-66.3139.9176.1-174.856.2-155.700111.9R55 G57 P58 G62 K63 R96 S97R55-E60 VanDerWaalsContact CB-CD 3.46Å; R55-E60 HydrophobicContact CB-CG 3.77Å; R55-E60 WeakPolarHBondContact CB-OE1 3Å; R55-E60 WeakPolarHBondContact CD-OE1 3.44Å; R55-E60 VanDerWaalsContact O-CG 3.3Å; R55-E60 WeakPolarHBondContact O-CG 3.32Å; G57-E60 WeakPolarHBondContact O-CB 3.36Å; G57-E60 PolarHBondContact O-N 3.5Å; P58-E60 VanDerWaalsContact C-N 3.27Å; P58-E60 PolarHBondContact O-N 2.85Å; E60-G62 PolarHBondContact O-N 3.41Å; E60-K63 WeakPolarHBondContact O-CG 3.49Å; E60-K63 PolarHBondContact O-N 2.92Å; E60-R96 WeakPolarHBondContact OE2-CA 3.38Å; E60-R96 WeakPolarHBondContact OE2-CB 3.47Å; E60-S97 WeakPolarHBondContact OE1-CB 3.36Å; E60-S97 PolarHBondContact OE1-N 3.03Å; E60-S97 PolarHBondContact OE1-OG 2.69Å; E60-S97 PolarHBondContact OE2-N 3.35Å
61G93.9Very high80.7Confident27 Ų2791.5 Ų91.528%0.27849%0.487SS..G310 helixtrans66.922.9-172.600000113.1K63 S97 P99G61-K63 VanDerWaalsContact C-N 3.28Å; G61-K63 PolarHBondContact O-N 2.73Å; G61-S97 CarbonylContact C-O 3.58Å; G61-S97 VanDerWaalsContact CA-O 3.31Å; G61-S97 WeakPolarHBondContact CA-O 3.44Å; G61-S97 WeakPolarHBondContact CA-OG 3.22Å; G61-S97 PolarHBondContact N-O 3.23Å; G61-S97 VanDerWaalsContact N-O 3.08Å; G61-S97 PolarHBondContact N-OG 2.92Å; G61-P99 WeakPolarHBondContact O-CD 3.48Å
62G94.8Very high83.1Confident4 Ų487.2 Ų87.24%0.04146%0.463CS..G310 helixtrans71.913.9-179.100000115.2G59 E60 S97 E249 Y250G59-G62 PolarHBondContact O-N 3.26Å; E60-G62 PolarHBondContact O-N 3.41Å; G62-S97 PolarHBondContact N-O 3.15Å; G62-E249 WeakPolarHBondContact O-CA 3.47Å; G62-Y250 PolarHBondContact O-N 2.98Å
63K96.1Very high85.4Confident145 Ų14589 Ų8963%0.6346%0.458SS*.PPolyproline II helixtrans-67.8155.5-179.4-68.9177.2-176.2173.90112.4G59 E60 G61G59-K63 WeakPolarHBondContact CA-O 3.38Å; E60-K63 WeakPolarHBondContact O-CG 3.49Å; E60-K63 PolarHBondContact O-N 2.92Å; G61-K63 VanDerWaalsContact C-N 3.28Å; G61-K63 PolarHBondContact O-N 2.73Å
64P96.4Very high87.8Confident58 Ų5884.2 Ų84.238%0.37744%0.443SS..PPolyproline II helixtrans-65.8137.9174.625.2-32.9000111.8T247 E249P64-T247 HydrophobicContact CB-CG2 4.37Å; P64-E249 HydrophobicContact CB-CB 3.99Å; P64-E249 HydrophobicContact CB-CG 4.39Å
65V94.8Very high89.9Confident5 Ų579.7 Ų79.73%0.0341%0.413CS..PPolyproline II helixtrans-87.5125.6169.9178.90000109.7P58 I67 A88 M91 I92 T247P58-V65 HydrophobicContact CB-CG1 4.25Å; P58-V65 HydrophobicContact CB-CG2 4.09Å; V65-I67 HydrophobicContact CG1-CD1 3.99Å; V65-A88 HydrophobicContact CB-CB 4.07Å; V65-A88 HydrophobicContact CG1-CB 4.06Å; V65-M91 HydrophobicContact CG1-SD 4.36Å; V65-I92 HydrophobicContact CG2-CD1 3.64Å; V65-I92 HydrophobicContact CG2-CG1 3.61Å; V65-T247 PolarHBondContact N-O 3.47Å
66V92.8Very high91.2Very high125 Ų12579 Ų7976%0.75841%0.414SS*.PPolyproline II helixtrans-97.8116.9175.9-177.70000109.4
67I91.3Very high91.9Very high11 Ų1177.4 Ų77.46%0.05640%0.402CS..PPolyproline II helixtrans-82.8125.1176.7-56.8-57.1000110V65 N71 Q72 M75 M87 A88 M91V65-I67 HydrophobicContact CG1-CD1 3.99Å; I67-N71 HydrophobicContact CG2-CB 3.88Å; I67-Q72 PolarHBondContact O-NE2 3.48Å; I67-M75 HydrophobicContact CG1-CG 4.4Å; I67-M75 HydrophobicContact CG2-CB 4.28Å; I67-M87 HydrophobicContact CD1-CG 4.18Å; I67-M87 HydrophobicContact CD1-SD 4.31Å; I67-M87 HydrophobicContact CG2-SD 3.83Å; I67-A88 HydrophobicContact CD1-CB 4.09Å; I67-M91 HydrophobicContact CD1-SD 3.76Å
68P90.7Very high92.1Very high61 Ų6176.4 Ų76.440%0.39638%0.384SS..PPolyproline II helixtrans-54.2145.3176.1-25.834.1000112.4E70 N71P68-E70 PolarHBondContact O-N 3.11Å; P68-E70 VanDerWaalsContact O-N 3.14Å; P68-N71 PolarHBondContact O-N 2.85Å
69K90.4Very high92Very high197 Ų19775.5 Ų75.586%0.85737%0.374SS*.G310 helixtrans-54.7-37.2-176.2-71.4-175.5178.1179.10113.1N71 Q72K69-N71 PolarHBondContact O-N 3.03Å; K69-Q72 WeakPolarHBondContact O-CB 3.41Å; K69-Q72 WeakPolarHBondContact O-CG 3.4Å; K69-Q72 PolarHBondContact O-N 3.15Å
70E92.6Very high91.6Very high185 Ų18581 Ų8186%0.86440%0.397SS*.G310 helixtrans-61.4-27179-62.9165.1-134.100113.2P68P68-E70 PolarHBondContact O-N 3.11Å; P68-E70 VanDerWaalsContact O-N 3.14Å
71N90.7Very high91.2Very high69 Ų6983.6 Ų83.637%0.36941%0.411SS..G310 helixtrans-99.81.7-176.8-71.3-31.9000113.5I67 P68 K69 E73 K74 M75 M87I67-N71 HydrophobicContact CG2-CB 3.88Å; P68-N71 PolarHBondContact O-N 2.85Å; K69-N71 PolarHBondContact O-N 3.03Å; N71-E73 PolarHBondContact O-N 3.05Å; N71-K74 PolarHBondContact O-N 3.05Å; N71-M75 WeakPolarHBondContact O-CB 3.47Å; N71-M75 PolarHBondContact O-N 2.95Å; N71-M87 HydrophobicContact CB-CE 4.24Å; N71-M87 HydrophobicContact CB-SD 3.81Å
72Q88.4Confident90.8Very high69 Ų6982.4 Ų82.432%0.32240%0.398SS..Hα-helixtrans-62.5-38.6-174.8-75.6-75.8-28.900113.2I67 K69 M75 K76I67-Q72 PolarHBondContact O-NE2 3.48Å; K69-Q72 WeakPolarHBondContact O-CB 3.41Å; K69-Q72 WeakPolarHBondContact O-CG 3.4Å; K69-Q72 PolarHBondContact O-N 3.15Å; Q72-M75 PolarHBondContact O-N 2.87Å; Q72-K76 WeakPolarHBondContact O-CG 3.32Å; Q72-K76 PolarHBondContact O-N 3.22Å
73E89.9Confident90.6Very high160 Ų16084.5 Ų84.575%0.74841%0.407SS*.Hα-helixtrans-67.1-46177.7-66.1-171.8162.600111.7N71 M75 K76 E77N71-E73 PolarHBondContact O-N 3.05Å; E73-M75 VanDerWaalsContact C-N 3.29Å; E73-M75 PolarHBondContact O-N 2.95Å; E73-K76 PolarHBondContact O-N 3.02Å; E73-E77 PolarHBondContact O-N 3.1Å; E73-E77 VanDerWaalsContact O-N 3.13Å
74K90.4Very high90.4Very high115 Ų11577.6 Ų77.650%0.538%0.377SS..Hα-helixtrans-62.2-38.7175.7-176.2-178.6174.4-1690111.5N71 E77 M78 M87N71-K74 PolarHBondContact O-N 3.05Å; K74-E77 PolarHBondContact O-N 3.21Å; K74-M78 HydrophobicContact CG-SD 4.28Å; K74-M78 WeakPolarHBondContact O-CG 3.4Å; K74-M78 PolarHBondContact O-N 2.91Å; K74-M87 HydrophobicContact CB-CE 3.82Å; K74-M87 HydrophobicContact CD-CE 3.68Å; K74-M87 HydrophobicContact CG-CE 3.58Å
75M90.6Very high90.2Very high12 Ų1275 Ų756%0.05936%0.36CS..Hα-helixtrans-59.2-46.8174.3177.2-80.8-72.200111.2I67 N71 Q72 E73 E77 M78 F79 N85 M87I67-M75 HydrophobicContact CG1-CG 4.4Å; I67-M75 HydrophobicContact CG2-CB 4.28Å; N71-M75 WeakPolarHBondContact O-CB 3.47Å; N71-M75 PolarHBondContact O-N 2.95Å; Q72-M75 PolarHBondContact O-N 2.87Å; E73-M75 VanDerWaalsContact C-N 3.29Å; E73-M75 PolarHBondContact O-N 2.95Å; M75-E77 VanDerWaalsContact C-N 3.32Å; M75-E77 PolarHBondContact O-N 2.86Å; M75-M78 PolarHBondContact O-N 3.43Å; M75-F79 WeakPolarHBondContact O-CB 3.45Å; M75-F79 PolarHBondContact O-N 2.71Å; M75-N85 VanDerWaalsContact CG-OD1 3.29Å; M75-N85 WeakPolarHBondContact CG-OD1 3.15Å; M75-M87 HydrophobicContact CB-CE 4.23Å; M75-M87 HydrophobicContact CB-SD 4.2Å
76K89.6Confident90.1Very high130 Ų13075.3 Ų75.357%0.56536%0.361SS*.Hα-helixtrans-61-38.5178-72.8174.9-177.8178.60112.8Q72 E73 F79Q72-K76 WeakPolarHBondContact O-CG 3.32Å; Q72-K76 PolarHBondContact O-N 3.22Å; E73-K76 PolarHBondContact O-N 3.02Å; K76-F79 WeakPolarHBondContact O-CB 3.24Å; K76-F79 PolarHBondContact O-N 2.76Å
77E89.4Confident90.1Very high111 Ų11170.1 Ų70.152%0.51933%0.329SS..Hα-helixtrans-67.5-42.7174.9-69.6-53.9140.200111.9E73 K74 M75 F79 K80E73-E77 PolarHBondContact O-N 3.1Å; E73-E77 VanDerWaalsContact O-N 3.13Å; K74-E77 PolarHBondContact O-N 3.21Å; M75-E77 VanDerWaalsContact C-N 3.32Å; M75-E77 PolarHBondContact O-N 2.86Å; E77-F79 VanDerWaalsContact C-N 3.28Å; E77-F79 PolarHBondContact O-N 3.31Å; E77-K80 PolarHBondContact O-N 2.93Å; E77-K80 IonicContact OE1-NZ 3.9Å; E77-K80 PolarHBondContact OE1-NZ 3.16Å; E77-K80 IonicContact OE2-NZ 2.77Å; E77-K80 PolarHBondContact OE2-NZ 2.66Å
78M89.3Confident90.2Very high26 Ų2669.6 Ų69.613%0.12833%0.326CS..Hα-helixtrans-65.3-32.3175.8-70.4-177.769.200112.5K74 M75 K80 I81 L86 M87K74-M78 HydrophobicContact CG-SD 4.28Å; K74-M78 WeakPolarHBondContact O-CG 3.4Å; K74-M78 PolarHBondContact O-N 2.91Å; M75-M78 PolarHBondContact O-N 3.43Å; M78-K80 VanDerWaalsContact C-N 3.28Å; M78-K80 PolarHBondContact O-N 2.99Å; M78-I81 WeakPolarHBondContact O-CB 3.46Å; M78-I81 PolarHBondContact O-N 2.76Å; M78-L86 HydrophobicContact CB-CB 4.28Å; M78-L86 HydrophobicContact CE-CB 4.03Å; M78-L86 HydrophobicContact CE-CD2 3.77Å; M78-L86 HydrophobicContact CE-CG 3.68Å; M78-M87 HydrophobicContact CE-CB 4.38Å; M78-M87 HydrophobicContact SD-CB 4.1Å; M78-M87 HydrophobicContact SD-CE 3.89Å
79F90.2Very high90.4Very high43 Ų4366.7 Ų66.719%0.18931%0.307CS..Hα-helixtrans-59.1-39.2177.5-166.2-77.3000112M75 K76 E77 I81 N82 Q83 F84 N85M75-F79 WeakPolarHBondContact O-CB 3.45Å; M75-F79 PolarHBondContact O-N 2.71Å; K76-F79 WeakPolarHBondContact O-CB 3.24Å; K76-F79 PolarHBondContact O-N 2.76Å; E77-F79 VanDerWaalsContact C-N 3.28Å; E77-F79 PolarHBondContact O-N 3.31Å; F79-I81 PolarHBondContact O-N 2.82Å; F79-N82 PolarHBondContact O-N 2.78Å; F79-Q83 WeakPolarHBondContact O-CA 3.23Å; F79-Q83 PolarHBondContact O-N 2.92Å; F79-F84 WeakPolarHBondContact CA-O 3.45Å; F79-F84 VanDerWaalsContact CD2-C 3.4Å; F79-N85 HydrophobicContact CD2-CB 4.27Å
80K86.7Confident90.5Very high120 Ų12063 Ų6352%0.52229%0.293SS..Hα-helixtrans-61.5-27.3-178.4-64.8173.3-168.4163.10113.2E77 M78 Q83E77-K80 PolarHBondContact O-N 2.93Å; E77-K80 IonicContact OE1-NZ 3.9Å; E77-K80 PolarHBondContact OE1-NZ 3.16Å; E77-K80 IonicContact OE2-NZ 2.77Å; E77-K80 PolarHBondContact OE2-NZ 2.66Å; M78-K80 VanDerWaalsContact C-N 3.28Å; M78-K80 PolarHBondContact O-N 2.99Å; K80-Q83 PolarHBondContact O-NE2 3.27Å
81I85.7Confident90.6Very high83 Ų8358.2 Ų58.243%0.42627%0.272SS..Hα-helixtrans-69.9-39.3-172.4-56.8175.8000111.9M78 F79 R160M78-I81 WeakPolarHBondContact O-CB 3.46Å; M78-I81 PolarHBondContact O-N 2.76Å; F79-I81 PolarHBondContact O-N 2.82Å; I81-R160 PolarHBondContact O-NH2 3.45Å
82N85.6Confident90.8Very high1 Ų155.2 Ų55.21%0.00526%0.256CS..Hα-helixtrans-128.4-0.5-176.4-77.989.7000113.8F79 F84 N126 A128 R160F79-N82 PolarHBondContact O-N 2.78Å; N82-F84 VanDerWaalsContact C-N 3.29Å; N82-F84 HydrophobicContact CB-CD1 3.9Å; N82-F84 HydrophobicContact CB-CE1 3.45Å; N82-F84 VanDerWaalsContact CB-CE1 3.45Å; N82-F84 HydrophobicContact CB-CE2 4.14Å; N82-F84 HydrophobicContact CB-CG 4.45Å; N82-F84 HydrophobicContact CB-CZ 3.57Å; N82-F84 VanDerWaalsContact O-CD1 3.3Å; N82-F84 WeakPolarHBondContact O-CD1 3.33Å; N82-F84 PolarHBondContact O-N 3.44Å; N82-N126 PolarHBondContact ND2-O 3.45Å; N82-A128 PolarHBondContact ND2-N 3.19Å; N82-R160 PolarHBondContact OD1-NH1 3.35Å; N82-R160 PolarHBondContact OD1-NH2 3Å
83Q91.3Very high91.1Very high49 Ų4954.2 Ų54.223%0.22926%0.259CS..THydrogen-bonded Turntrans6233.4-176.9-56.7-67-52.500113.4F79 K80 R349 A351 P353F79-Q83 WeakPolarHBondContact O-CA 3.23Å; F79-Q83 PolarHBondContact O-N 2.92Å; K80-Q83 PolarHBondContact O-NE2 3.27Å; Q83-R349 HydrophobicContact CB-CB 4.45Å; Q83-A351 WeakPolarHBondContact CB-O 3.4Å; Q83-P353 HydrophobicContact CB-CB 4.49Å; Q83-P353 HydrophobicContact CG-CB 3.85Å
84F91.8Very high91.4Very high0 Ų048.5 Ų48.50%023%0.234CC..SBendtrans-155.8165.4167.959.5-103.6000109.5F79 N82 L86 A128 T131 D245 F248 V347 R349F79-F84 WeakPolarHBondContact CA-O 3.45Å; F79-F84 VanDerWaalsContact CD2-C 3.4Å; N82-F84 VanDerWaalsContact C-N 3.29Å; N82-F84 HydrophobicContact CB-CD1 3.9Å; N82-F84 HydrophobicContact CB-CE1 3.45Å; N82-F84 VanDerWaalsContact CB-CE1 3.45Å; N82-F84 HydrophobicContact CB-CE2 4.14Å; N82-F84 HydrophobicContact CB-CG 4.45Å; N82-F84 HydrophobicContact CB-CZ 3.57Å; N82-F84 VanDerWaalsContact O-CD1 3.3Å; N82-F84 WeakPolarHBondContact O-CD1 3.33Å; N82-F84 PolarHBondContact O-N 3.44Å; F84-L86 VanDerWaalsContact C-N 3.35Å; F84-L86 HydrophobicContact CE2-CB 4.45Å; F84-L86 HydrophobicContact CE2-CD1 4.2Å; F84-L86 PolarHBondContact O-N 3.05Å; F84-A128 HydrophobicContact CE2-CB 4.23Å; F84-A128 HydrophobicContact CZ-CB 3.79Å; F84-T131 HydrophobicContact CE2-CG2 3.68Å; F84-T131 HydrophobicContact CZ-CG2 3.64Å; F84-D245 CarbonylContact C-O 3.48Å; F84-D245 WeakPolarHBondContact CA-O 3.42Å; F84-D245 HydrophobicContact CB-CB 3.99Å; F84-F248 AromaticContact CD2-CE2 3.86Å; F84-F248 HydrophobicContact CD2-CE2 3.86Å; F84-F248 AromaticContact CD2-CZ 3.71Å; F84-F248 HydrophobicContact CD2-CZ 3.71Å; F84-F248 HydrophobicContact CE2-CZ 4.06Å; F84-F248 HydrophobicContact CG-CZ 4.45Å; F84-V347 HydrophobicContact CB-CG1 4Å; F84-V347 HydrophobicContact CD1-CG1 4.26Å; F84-V347 HydrophobicContact CG-CG1 4.2Å; F84-R349 HydrophobicContact CD1-CG 4.48Å
85N92.6Very high91.5Very high2 Ų247.1 Ų47.11%0.01123%0.232CC..  trans-71.584.1-177.1-170.9-14.2000112M75 F79 M87 A88 S89 D245 D246 F248M75-N85 VanDerWaalsContact CG-OD1 3.29Å; M75-N85 WeakPolarHBondContact CG-OD1 3.15Å; F79-N85 HydrophobicContact CD2-CB 4.27Å; N85-M87 PolarHBondContact O-N 3.33Å; N85-M87 PolarHBondContact OD1-N 3.23Å; N85-A88 HydrophobicContact CB-CB 4.05Å; N85-A88 VanDerWaalsContact CG-CB 3.49Å; N85-A88 PolarHBondContact O-N 3.33Å; N85-A88 PolarHBondContact OD1-N 2.8Å; N85-S89 PolarHBondContact O-N 2.83Å; N85-S89 VanDerWaalsContact O-N 3.08Å; N85-D245 WeakPolarHBondContact CB-O 3.4Å; N85-D245 PolarHBondContact N-O 3.41Å; N85-D246 WeakPolarHBondContact CB-O 3.1Å; N85-D246 PolarHBondContact ND2-O 3.21Å; N85-F248 VanDerWaalsContact O-CE2 3.27Å; N85-F248 WeakPolarHBondContact O-CE2 3.44Å
86L91.5Very high91.8Very high13 Ų1346.6 Ų46.67%0.06823%0.229CC..Hα-helixtrans-60.4-33.3179.6-179.661.3000112.4M78 F84 S89 E90 A128M78-L86 HydrophobicContact CB-CB 4.28Å; M78-L86 HydrophobicContact CE-CB 4.03Å; M78-L86 HydrophobicContact CE-CD2 3.77Å; M78-L86 HydrophobicContact CE-CG 3.68Å; F84-L86 VanDerWaalsContact C-N 3.35Å; F84-L86 HydrophobicContact CE2-CB 4.45Å; F84-L86 HydrophobicContact CE2-CD1 4.2Å; F84-L86 PolarHBondContact O-N 3.05Å; L86-S89 WeakPolarHBondContact O-CB 3.25Å; L86-S89 PolarHBondContact O-N 3.01Å; L86-E90 HydrophobicContact CD1-CG 4.31Å; L86-E90 HydrophobicContact CG-CG 4.46Å; L86-E90 WeakPolarHBondContact O-CG 3.42Å; L86-E90 PolarHBondContact O-N 2.68Å; L86-A128 HydrophobicContact CD1-CB 3.41Å; L86-A128 VanDerWaalsContact CD1-CB 3.41Å
87M92.8Very high92Very high15 Ų1542.1 Ų42.17%0.07421%0.214CC..Hα-helixtrans-64.2-46.9177.2-176.6-180-65.500111.4I67 N71 K74 M75 M78 N85 S89 E90 M91I67-M87 HydrophobicContact CD1-CG 4.18Å; I67-M87 HydrophobicContact CD1-SD 4.31Å; I67-M87 HydrophobicContact CG2-SD 3.83Å; N71-M87 HydrophobicContact CB-CE 4.24Å; N71-M87 HydrophobicContact CB-SD 3.81Å; K74-M87 HydrophobicContact CB-CE 3.82Å; K74-M87 HydrophobicContact CD-CE 3.68Å; K74-M87 HydrophobicContact CG-CE 3.58Å; M75-M87 HydrophobicContact CB-CE 4.23Å; M75-M87 HydrophobicContact CB-SD 4.2Å; M78-M87 HydrophobicContact CE-CB 4.38Å; M78-M87 HydrophobicContact SD-CB 4.1Å; M78-M87 HydrophobicContact SD-CE 3.89Å; N85-M87 PolarHBondContact O-N 3.33Å; N85-M87 PolarHBondContact OD1-N 3.23Å; M87-S89 VanDerWaalsContact C-N 3.29Å; M87-S89 PolarHBondContact O-N 3.45Å; M87-E90 PolarHBondContact O-N 3.11Å; M87-M91 HydrophobicContact CG-SD 4.42Å; M87-M91 WeakPolarHBondContact O-CG 3.47Å; M87-M91 PolarHBondContact O-N 3.39Å
88A93.8Very high92.3Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-58.7-44.8173.900000110.7V65 I67 N85 E90 M91 I92 F248V65-A88 HydrophobicContact CB-CB 4.07Å; V65-A88 HydrophobicContact CG1-CB 4.06Å; I67-A88 HydrophobicContact CD1-CB 4.09Å; N85-A88 HydrophobicContact CB-CB 4.05Å; N85-A88 VanDerWaalsContact CG-CB 3.49Å; N85-A88 PolarHBondContact O-N 3.33Å; N85-A88 PolarHBondContact OD1-N 2.8Å; A88-E90 PolarHBondContact O-N 2.7Å; A88-M91 PolarHBondContact O-N 2.85Å; A88-I92 WeakPolarHBondContact O-CD1 3.47Å; A88-I92 VanDerWaalsContact O-CG1 3.28Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 3.38Å; A88-F248 HydrophobicContact CB-CD2 4.06Å
89S94.9Very high92.6Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-58.9-43.6176.4-168.70000112.5N85 L86 M87 M91 I92 S130 T131 R134 F248N85-S89 PolarHBondContact O-N 2.83Å; N85-S89 VanDerWaalsContact O-N 3.08Å; L86-S89 WeakPolarHBondContact O-CB 3.25Å; L86-S89 PolarHBondContact O-N 3.01Å; M87-S89 VanDerWaalsContact C-N 3.29Å; M87-S89 PolarHBondContact O-N 3.45Å; S89-M91 VanDerWaalsContact C-N 3.25Å; S89-M91 PolarHBondContact O-N 2.81Å; S89-I92 PolarHBondContact O-N 2.85Å; S89-S130 WeakPolarHBondContact CB-OG 3.45Å; S89-S130 WeakPolarHBondContact OG-CB 2.89Å; S89-S130 PolarHBondContact OG-OG 3.24Å; S89-T131 WeakPolarHBondContact OG-CG2 3.31Å; S89-R134 PolarHBondContact O-NH2 2.78Å; S89-R134 PolarHBondContact OG-NH1 2.93Å; S89-R134 PolarHBondContact OG-NH2 2.85Å; S89-F248 VanDerWaalsContact CB-CZ 3.47Å
90E93.8Very high92.8Very high121 Ų12140 Ų4057%0.56521%0.211SC*.Hα-helixtrans-68.2-23.6-179.9-73.6175.6179.600113.5L86 M87 A88 I92L86-E90 HydrophobicContact CD1-CG 4.31Å; L86-E90 HydrophobicContact CG-CG 4.46Å; L86-E90 WeakPolarHBondContact O-CG 3.42Å; L86-E90 PolarHBondContact O-N 2.68Å; M87-E90 PolarHBondContact O-N 3.11Å; A88-E90 PolarHBondContact O-N 2.7Å; E90-I92 VanDerWaalsContact C-N 3.35Å
91M93.2Very high93.1Very high83 Ų8336.1 Ų36.141%0.40920%0.198SC..Hα-helixtrans-78.4-18.5174.8-66.5173.969.300113.4P58 V65 I67 M87 A88 S89P58-M91 HydrophobicContact CB-CB 4.3Å; P58-M91 HydrophobicContact CG-CB 4.49Å; P58-M91 HydrophobicContact CG-CE 4.19Å; V65-M91 HydrophobicContact CG1-SD 4.36Å; I67-M91 HydrophobicContact CD1-SD 3.76Å; M87-M91 HydrophobicContact CG-SD 4.42Å; M87-M91 WeakPolarHBondContact O-CG 3.47Å; M87-M91 PolarHBondContact O-N 3.39Å; A88-M91 PolarHBondContact O-N 2.85Å; S89-M91 VanDerWaalsContact C-N 3.25Å; S89-M91 PolarHBondContact O-N 2.81Å
92I94.9Very high93.6Very high7 Ų734 Ų344%0.03618%0.184CC..SBendtrans-91.4132.6-176-64.8162.4000110.3V65 A88 S89 E90 R96 R134 F248V65-I92 HydrophobicContact CG2-CD1 3.64Å; V65-I92 HydrophobicContact CG2-CG1 3.61Å; A88-I92 WeakPolarHBondContact O-CD1 3.47Å; A88-I92 VanDerWaalsContact O-CG1 3.28Å; A88-I92 WeakPolarHBondContact O-CG1 3.48Å; A88-I92 PolarHBondContact O-N 3.38Å; S89-I92 PolarHBondContact O-N 2.85Å; E90-I92 VanDerWaalsContact C-N 3.35Å; I92-R96 HydrophobicContact CG2-CB 3.97Å; I92-R96 VanDerWaalsContact CG2-CD 3.43Å; I92-R96 HydrophobicContact CG2-CG 3.7Å; I92-R134 PolarHBondContact O-NH2 3.14Å; I92-F248 HydrophobicContact CD1-CB 3.34Å; I92-F248 HydrophobicContact CD1-CD1 4.03Å; I92-F248 HydrophobicContact CD1-CG 3.79Å
93A95.4Very high93.9Very high47 Ų4735.9 Ų35.939%0.38819%0.194SC..  trans-54.9143.2174.100000112.5N95 R96 R134A93-N95 PolarHBondContact O-N 2.99Å; A93-R96 HydrophobicContact CB-CB 4.42Å; A93-R96 PolarHBondContact O-N 2.58Å; A93-R134 PolarHBondContact O-NE 2.8Å
94L95.3Very high94Very high41 Ų4139.5 Ų39.522%0.21521%0.211CC..THydrogen-bonded Turntrans-66.3-23.9178-62179.1000112.7S130 L133 R134 H137L94-S130 WeakPolarHBondContact CD2-O 3.28Å; L94-L133 HydrophobicContact CD1-CB 4.03Å; L94-L133 HydrophobicContact CD1-CD1 4.22Å; L94-L133 HydrophobicContact CD2-CB 4.07Å; L94-R134 HydrophobicContact CD2-CB 4.27Å; L94-R134 WeakPolarHBondContact O-CG 3.31Å; L94-H137 WeakPolarHBondContact O-CB 3.47Å
95N94.1Very high94Very high85 Ų8541.5 Ų41.546%0.45523%0.232SC..THydrogen-bonded Turntrans-113.726.2-179.664.9-17.6000112.7R55 A93 D141R55-N95 PolarHBondContact NH1-O 3.11Å; R55-N95 VanDerWaalsContact NH1-O 3.13Å; A93-N95 PolarHBondContact O-N 2.99Å; N95-D141 VanDerWaalsContact CB-OD2 3.31Å; N95-D141 WeakPolarHBondContact CB-OD2 3.43Å
96R95.4Very high94.1Very high2 Ų241.5 Ų41.51%0.00823%0.232CC..  trans-51.2144.117964.6149172-168.13.9111.7G59 E60 I92 A93 R142 E215 F248G59-R96 WeakPolarHBondContact O-CD 3.31Å; G59-R96 PolarHBondContact O-NH1 2.63Å; G59-R96 VanDerWaalsContact O-NH1 3.11Å; E60-R96 WeakPolarHBondContact OE2-CA 3.38Å; E60-R96 WeakPolarHBondContact OE2-CB 3.47Å; I92-R96 HydrophobicContact CG2-CB 3.97Å; I92-R96 VanDerWaalsContact CG2-CD 3.43Å; I92-R96 HydrophobicContact CG2-CG 3.7Å; A93-R96 HydrophobicContact CB-CB 4.42Å; A93-R96 PolarHBondContact O-N 2.58Å; R96-R142 PolarHBondContact O-NH2 3.13Å; R96-E215 IonicContact CZ-OE1 2.7Å; R96-E215 IonicContact CZ-OE2 3.18Å; R96-E215 IonicContact NE-OE1 3.67Å; R96-E215 PolarHBondContact NE-OE1 3.15Å; R96-E215 IonicContact NE-OE2 3.02Å; R96-E215 PolarHBondContact NE-OE2 3Å; R96-E215 IonicContact NH2-OE1 2.69Å; R96-E215 PolarHBondContact NH2-OE1 3.17Å; R96-E215 IonicContact NH2-OE2 3.22Å; R96-E215 PolarHBondContact NH2-OE2 2.65Å; R96-F248 PolarHBondContact NH1-O 2.79Å; R96-F248 PolarHBondContact NH2-O 3.04Å
97S95.3Very high94.3Very high35 Ų3544.3 Ų44.325%0.24524%0.244CC..  trans-73.9158.4171.872.40000112.1E60 G61 G62E60-S97 WeakPolarHBondContact OE1-CB 3.36Å; E60-S97 PolarHBondContact OE1-N 3.03Å; E60-S97 PolarHBondContact OE1-OG 2.69Å; E60-S97 PolarHBondContact OE2-N 3.35Å; G61-S97 CarbonylContact C-O 3.58Å; G61-S97 VanDerWaalsContact CA-O 3.31Å; G61-S97 WeakPolarHBondContact CA-O 3.44Å; G61-S97 WeakPolarHBondContact CA-OG 3.22Å; G61-S97 PolarHBondContact N-O 3.23Å; G61-S97 VanDerWaalsContact N-O 3.08Å; G61-S97 PolarHBondContact N-OG 2.92Å; G62-S97 PolarHBondContact N-O 3.15Å
98L95.9Very high94.1Very high23 Ų2349.9 Ų49.912%0.1227%0.274CS..  trans-123.9154.5174.3-68.1-176.2000109.9R142 E215 T217 Y250L98-R142 VanDerWaalsContact CD1-NH1 3.35Å; L98-E215 HydrophobicContact CD1-CB 3.83Å; L98-T217 HydrophobicContact CD1-CG2 4.4Å; L98-Y250 HydrophobicContact CD1-CD2 3.89Å; L98-Y250 HydrophobicContact CD1-CE2 3.67Å; L98-Y250 HydrophobicContact CD2-CD2 3.7Å; L98-Y250 HydrophobicContact CD2-CE2 4.35Å; L98-Y250 HydrophobicContact CD2-CG 4.09Å; L98-Y250 HydrophobicContact CG-CD2 4.36Å
99P94.3Very high94Very high50 Ų5053.1 Ų53.133%0.32529%0.288SS..  trans-67.3146.4172.729-32.4000111G61 V101 Y250G61-P99 WeakPolarHBondContact O-CD 3.48Å; P99-V101 HydrophobicContact CB-CG1 4.25Å; P99-V101 HydrophobicContact CG-CG1 3.98Å; P99-V101 PolarHBondContact O-N 3.12Å; P99-Y250 HydrophobicContact CG-CD1 3.96Å
100D94.4Very high93.9Very high63 Ų6361 Ų6134%0.33733%0.329SS..  trans-82.694170.4-171.3-3.7000109.8R102D100-R102 VanDerWaalsContact C-N 3.32Å; D100-R102 WeakPolarHBondContact OD1-CB 3.45Å; D100-R102 WeakPolarHBondContact OD1-CG 3.47Å; D100-R102 IonicContact OD1-CZ 2.65Å; D100-R102 PolarHBondContact OD1-N 2.72Å; D100-R102 IonicContact OD1-NE 3.33Å; D100-R102 PolarHBondContact OD1-NE 2.7Å; D100-R102 IonicContact OD1-NH2 3.34Å; D100-R102 IonicContact OD2-CZ 3.64Å; D100-R102 IonicContact OD2-NE 3.28Å; D100-R102 PolarHBondContact OD2-NE 3.39Å; D100-R102 IonicContact OD2-NH2 2.79Å; D100-R102 PolarHBondContact OD2-NH2 3.24Å
101V94Very high93.9Very high39 Ų3958 Ų5824%0.23631%0.313CS..  trans-870.3-176.5-61.10000113.7P99 T217 D241 Y250 A252 H343P99-V101 HydrophobicContact CB-CG1 4.25Å; P99-V101 HydrophobicContact CG-CG1 3.98Å; P99-V101 PolarHBondContact O-N 3.12Å; V101-T217 HydrophobicContact CG2-CG2 4.45Å; V101-D241 WeakPolarHBondContact CG2-OD2 3.28Å; V101-Y250 HydrophobicContact CG1-CD1 4.38Å; V101-Y250 HydrophobicContact CG1-CE1 4Å; V101-Y250 HydrophobicContact CG2-CE1 4.13Å; V101-A252 HydrophobicContact CB-CB 3.89Å; V101-A252 HydrophobicContact CG1-CB 3.86Å; V101-A252 HydrophobicContact CG2-CB 4.41Å; V101-H343 HydrophobicContact CG2-CB 4.1Å
102R94.4Very high93.8Very high37 Ų3757.2 Ų57.214%0.1431%0.314CS..SBendtrans-65.4149-179.2-63176.6-61.51651.9110.7D100 C106 K107 T218 C341D100-R102 VanDerWaalsContact C-N 3.32Å; D100-R102 WeakPolarHBondContact OD1-CB 3.45Å; D100-R102 WeakPolarHBondContact OD1-CG 3.47Å; D100-R102 IonicContact OD1-CZ 2.65Å; D100-R102 PolarHBondContact OD1-N 2.72Å; D100-R102 IonicContact OD1-NE 3.33Å; D100-R102 PolarHBondContact OD1-NE 2.7Å; D100-R102 IonicContact OD1-NH2 3.34Å; D100-R102 IonicContact OD2-CZ 3.64Å; D100-R102 IonicContact OD2-NE 3.28Å; D100-R102 PolarHBondContact OD2-NE 3.39Å; D100-R102 IonicContact OD2-NH2 2.79Å; D100-R102 PolarHBondContact OD2-NH2 3.24Å; R102-C106 HydrophobicContact CB-CB 4.07Å; R102-K107 HydrophobicContact CB-CG 4.4Å; R102-K107 VanDerWaalsContact O-CE 3.32Å; R102-K107 WeakPolarHBondContact O-CE 3.29Å; R102-T218 WeakPolarHBondContact CD-O 3.37Å; R102-T218 PolarHBondContact NE-O 3.46Å; R102-T218 PolarHBondContact NH1-O 2.88Å; R102-C341 WeakPolarHBondContact CD-O 3.5Å
103L93.5Very high93.5Very high42 Ų4264.6 Ų64.622%0.2235%0.354CS..  trans-57.3146.5170.4-60.9172.3000110.7G105 C106 K107 R284L103-G105 PolarHBondContact O-N 2.66Å; L103-G105 VanDerWaalsContact O-N 3.15Å; L103-C106 HydrophobicContact CB-CB 4.5Å; L103-C106 WeakPolarHBondContact O-CA 3.34Å; L103-C106 VanDerWaalsContact O-CB 3.26Å; L103-C106 WeakPolarHBondContact O-CB 3.47Å; L103-C106 PolarHBondContact O-N 3.03Å; L103-K107 PolarHBondContact O-N 3.02Å; L103-R284 HydrophobicContact CD1-CB 3.69Å
104E92.9Very high93.3Very high124 Ų12468 Ų6858%0.57937%0.366SS*.Hα-helixtrans-54.8-37179.3-70.3-55.9133.500113C106 K107 N108E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 2.89Å; E104-K107 PolarHBondContact O-N 3.21Å; E104-K107 IonicContact OE1-NZ 3.7Å; E104-K107 PolarHBondContact OE1-NZ 3.37Å; E104-N108 PolarHBondContact O-ND2 3.3Å
105G92.1Very high93.4Very high43 Ų4367 Ų6744%0.44336%0.36SS..Hα-helixtrans-66.7-25.2175.200000114.1L103L103-G105 PolarHBondContact O-N 2.66Å; L103-G105 VanDerWaalsContact O-N 3.15Å
106C94.9Very high93.4Very high2 Ų263.3 Ų63.31%0.01434%0.341CS..Hα-helixtrans-77.4-31.9175.8-68.70000112.5R102 L103 E104 N108 K109 C341R102-C106 HydrophobicContact CB-CB 4.07Å; L103-C106 HydrophobicContact CB-CB 4.5Å; L103-C106 WeakPolarHBondContact O-CA 3.34Å; L103-C106 VanDerWaalsContact O-CB 3.26Å; L103-C106 WeakPolarHBondContact O-CB 3.47Å; L103-C106 PolarHBondContact O-N 3.03Å; E104-C106 VanDerWaalsContact C-N 3.27Å; E104-C106 PolarHBondContact O-N 2.89Å; C106-N108 VanDerWaalsContact C-N 3.27Å; C106-N108 PolarHBondContact O-N 3.13Å; C106-K109 WeakPolarHBondContact O-CB 3.46Å; C106-K109 PolarHBondContact O-N 2.49Å; C106-C341 HydrophobicContact CB-CB 3.54Å; C106-C341 WeakPolarHBondContact CB-SG 3.25Å; C106-C341 WeakPolarHBondContact SG-CA 3.43Å; C106-C341 WeakPolarHBondContact SG-CB 3.23Å; C106-C341 CovalentContact SG-SG 2.04Å; C106-C341 PolarHBondContact SG-SG 3.4Å
107K93.8Very high93.5Very high72 Ų7267.6 Ų67.631%0.31336%0.357SS..Hα-helixtrans-64.9-32.1-179.3-64.3178.5-177.3170.50112.6R102 L103 E104R102-K107 HydrophobicContact CB-CG 4.4Å; R102-K107 VanDerWaalsContact O-CE 3.32Å; R102-K107 WeakPolarHBondContact O-CE 3.29Å; L103-K107 PolarHBondContact O-N 3.02Å; E104-K107 PolarHBondContact O-N 3.21Å; E104-K107 IonicContact OE1-NZ 3.7Å; E104-K107 PolarHBondContact OE1-NZ 3.37Å
108N89.8Confident93.6Very high131 Ų13165.9 Ų65.970%0.70135%0.345SS*.THydrogen-bonded Turntrans-974.7-178.9-60.7-49.8000113.4E104 C106 L110E104-N108 PolarHBondContact O-ND2 3.3Å; C106-N108 VanDerWaalsContact C-N 3.27Å; C106-N108 PolarHBondContact O-N 3.13Å; N108-L110 PolarHBondContact O-N 3.08Å
109K91Very high93.7Very high69 Ų6964.8 Ų64.830%0.334%0.34SS..  trans-78.8124.1-175.5-161.6160.6-178.3167.10110C106 Y111 T285C106-K109 WeakPolarHBondContact O-CB 3.46Å; C106-K109 PolarHBondContact O-N 2.49Å; K109-Y111 HydrophobicContact CB-CE2 4.36Å; K109-Y111 HydrophobicContact CD-CE1 4.4Å; K109-Y111 HydrophobicContact CG-CE1 4.26Å; K109-T285 PolarHBondContact NZ-O 2.99Å; K109-T285 VanDerWaalsContact NZ-O 3.08Å
110L92.3Very high93.9Very high165 Ų16562.4 Ų62.486%0.86432%0.324SS*.  trans-91.7137.2177-59.9176.5000110.1N108N108-L110 PolarHBondContact O-N 3.08Å
111Y93.8Very high94Very high57 Ų5759.5 Ų59.522%0.22431%0.308CS..  trans-113.3151.4175.7-59.6-76.1000109.7K109 E222 P223 A226K109-Y111 HydrophobicContact CB-CE2 4.36Å; K109-Y111 HydrophobicContact CD-CE1 4.4Å; K109-Y111 HydrophobicContact CG-CE1 4.26Å; Y111-E222 HydrophobicContact CD2-CB 3.76Å; Y111-E222 HydrophobicContact CE2-CB 4.27Å; Y111-E222 HydrophobicContact CG-CB 4.11Å; Y111-P223 HydrophobicContact CE1-CB 4.12Å; Y111-P223 HydrophobicContact CE1-CG 4.41Å; Y111-P223 HydrophobicContact CE2-CG 4.02Å; Y111-P223 WeakPolarHBondContact OH-CB 3.46Å; Y111-P223 WeakPolarHBondContact OH-CG 3.47Å; Y111-A226 HydrophobicContact CD1-CB 3.51Å; Y111-A226 HydrophobicContact CE1-CB 4.13Å; Y111-A226 HydrophobicContact CG-CB 4.37Å
112P91.1Very high94.3Very high68 Ų6857.6 Ų57.644%0.44230%0.297SS..  trans-60.4144.7176.1-20.732000111.5N114 L115P112-N114 VanDerWaalsContact C-N 3.29Å; P112-N114 WeakPolarHBondContact CB-OD1 3.22Å; P112-N114 PolarHBondContact O-N 3.37Å; P112-L115 VanDerWaalsContact O-CG 3.29Å; P112-L115 WeakPolarHBondContact O-CG 3.32Å
113D88.8Confident94.4Very high162 Ų16256.4 Ų56.487%0.86629%0.294SS*.SBendtrans-68.8-27.8-179.3-60.9-42.9000113.4L115D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 3.27Å; D113-L115 VanDerWaalsContact O-N 3.17Å
114N92.4Very high94.5Very high119 Ų11954.7 Ų54.764%0.63629%0.285SS*.  trans-89.951.1-175.461.5-23.9000113P112 K229P112-N114 VanDerWaalsContact C-N 3.29Å; P112-N114 WeakPolarHBondContact CB-OD1 3.22Å; P112-N114 PolarHBondContact O-N 3.37Å; N114-K229 PolarHBondContact ND2-NZ 3.17Å; N114-K229 VanDerWaalsContact ND2-NZ 3.19Å; N114-K229 PolarHBondContact O-NZ 3.34Å; N114-K229 PolarHBondContact OD1-NZ 2.75Å
115L96Very high94.6Very high18 Ų1849.6 Ų49.69%0.09426%0.261CS..PPolyproline II helixtrans-72.8152.4176.4-65.8178.6000112.4P112 D113 L147 E222 L225 A226 K229P112-L115 VanDerWaalsContact O-CG 3.29Å; P112-L115 WeakPolarHBondContact O-CG 3.32Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 3.27Å; D113-L115 VanDerWaalsContact O-N 3.17Å; L115-L147 HydrophobicContact CB-CD1 4.3Å; L115-L147 HydrophobicContact CB-CD2 3.64Å; L115-L147 HydrophobicContact CD1-CD1 3.88Å; L115-E222 HydrophobicContact CD1-CB 4Å; L115-E222 HydrophobicContact CD1-CG 4.44Å; L115-L225 HydrophobicContact CB-CB 4.34Å; L115-L225 HydrophobicContact CD1-CB 4.32Å; L115-A226 HydrophobicContact CD2-CB 3.84Å; L115-K229 HydrophobicContact CD2-CD 4.12Å
116P95.9Very high94.7Very high8 Ų848.6 Ų48.65%0.05225%0.245CC..PPolyproline II helixtrans-63.4141.5174.426.5-35000111Q205 V206 L225 K229P116-Q205 HydrophobicContact CB-CB 3.82Å; P116-Q205 VanDerWaalsContact CB-OE1 3.3Å; P116-V206 HydrophobicContact CB-CG2 3.96Å; P116-V206 HydrophobicContact CG-CG2 3.87Å; P116-L225 HydrophobicContact CG-CB 4.1Å; P116-L225 HydrophobicContact CG-CD2 4.43Å; P116-L225 WeakPolarHBondContact O-CD1 3.43Å; P116-K229 HydrophobicContact CG-CB 4.43Å
117R96.3Very high94.7Very high92 Ų9248.6 Ų48.635%0.34725%0.245SC..PPolyproline II helixtrans-74.5146.4171.5-59.3-175.778.9-160.9-2.3110.7T146 L147 L148 E149 Q205 V206R117-T146 WeakPolarHBondContact CG-O 3.47Å; R117-T146 PolarHBondContact NE-O 3.01Å; R117-L147 CarbonylContact C-O 3.55Å; R117-L147 VanDerWaalsContact CA-O 3.27Å; R117-L147 WeakPolarHBondContact CA-O 3.41Å; R117-L148 PolarHBondContact NH2-O 2.91Å; R117-E149 HydrophobicContact CB-CB 4.45Å; R117-E149 WeakPolarHBondContact CD-OE2 3.32Å; R117-E149 IonicContact CZ-OE1 2.75Å; R117-E149 VanDerWaalsContact CZ-OE1 3.28Å; R117-E149 IonicContact CZ-OE2 3.95Å; R117-E149 IonicContact NE-OE2 2.96Å; R117-E149 PolarHBondContact NE-OE2 2.85Å; R117-E149 IonicContact NH1-OE1 3.24Å; R117-E149 PolarHBondContact NH1-OE1 2.76Å; R117-E149 IonicContact NH1-OE2 3.27Å; R117-E149 PolarHBondContact NH1-OE2 2.96Å; R117-E149 IonicContact NH2-OE1 2.93Å; R117-E149 PolarHBondContact NH2-OE1 2.86Å; R117-E149 IonicContact NH2-OE2 2.84Å; R117-Q205 PolarHBondContact O-N 2.83Å; R117-V206 PolarHBondContact O-N 2.85Å; R117-V206 VanDerWaalsContact O-N 3.16Å
118T97.6Very high94.7Very high0 Ų045.2 Ų45.20%023%0.23CC..EExtended strand (participates in β ladder)trans-117.2143.5178.8-168.50000112.1V120 L147 E149 V206 T208 L221 L225T118-V120 HydrophobicContact CG2-CG2 4.23Å; T118-L147 PolarHBondContact N-O 3.33Å; T118-E149 WeakPolarHBondContact O-CB 3.48Å; T118-E149 PolarHBondContact O-N 2.49Å; T118-V206 VanDerWaalsContact CA-O 3.24Å; T118-V206 WeakPolarHBondContact CA-O 3.26Å; T118-V206 PolarHBondContact OG1-O 3.03Å; T118-T208 WeakPolarHBondContact OG1-CB 3.4Å; T118-T208 PolarHBondContact OG1-N 3.27Å; T118-T208 PolarHBondContact OG1-OG1 3.35Å; T118-L221 HydrophobicContact CG2-CD1 3.91Å; T118-L221 HydrophobicContact CG2-CD2 3.95Å; T118-L225 HydrophobicContact CG2-CD1 4.5Å; T118-L225 HydrophobicContact CG2-CD2 4.48Å
119S97.8Very high95Very high0 Ų042.8 Ų42.80%021%0.212CC..EExtended strand (participates in β ladder)trans-96.1129.7158.4-65.60000108.7E150 C204 V206 T208S119-E150 WeakPolarHBondContact OG-CG 3.39Å; S119-E150 PolarHBondContact OG-OE1 3.12Å; S119-C204 VanDerWaalsContact OG-CB 3.23Å; S119-C204 WeakPolarHBondContact OG-CB 3.19Å; S119-C204 PolarHBondContact OG-SG 3.12Å; S119-V206 PolarHBondContact N-O 2.84Å; S119-T208 PolarHBondContact O-N 3.01Å
120V98.1Very high95.3Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-95117.9178.1179.50000108.9T118 I122 V139 L148 E150 I151 V152 T208 L210T118-V120 HydrophobicContact CG2-CG2 4.23Å; V120-I122 HydrophobicContact CG1-CD1 4.37Å; V120-I122 HydrophobicContact CG1-CG1 4.08Å; V120-V139 HydrophobicContact CB-CG1 4.38Å; V120-V139 HydrophobicContact CG1-CG1 4.36Å; V120-V139 HydrophobicContact CG1-CG2 4.35Å; V120-V139 HydrophobicContact CG2-CG1 3.99Å; V120-L148 HydrophobicContact CB-CD1 4.37Å; V120-L148 HydrophobicContact CG2-CD1 3.59Å; V120-E150 PolarHBondContact N-O 3.42Å; V120-I151 HydrophobicContact CB-CG1 4.41Å; V120-I151 CarbonylContact O-C 3.6Å; V120-I151 WeakPolarHBondContact O-CA 3.37Å; V120-V152 PolarHBondContact O-N 2.85Å; V120-T208 CarbonylContact C-O 3.6Å; V120-T208 VanDerWaalsContact CA-O 3.27Å; V120-T208 WeakPolarHBondContact CA-O 3.47Å; V120-L210 HydrophobicContact CG1-CD1 3.79Å; V120-L210 HydrophobicContact CG1-CG 4.16Å
121V98.3Very high95.5Very high1 Ų132.3 Ų32.31%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-102.7119.3-179.6178.20000109.1V152 V154 I207 T208 F209 L210V121-V152 WeakPolarHBondContact CA-O 3.36Å; V121-V152 HydrophobicContact CG2-CB 4.27Å; V121-V154 HydrophobicContact CG1-CG2 4.18Å; V121-I207 HydrophobicContact CB-CG2 4.45Å; V121-I207 HydrophobicContact CG2-CG2 3.77Å; V121-T208 PolarHBondContact N-O 3.26Å; V121-F209 HydrophobicContact CB-CD1 3.83Å; V121-F209 HydrophobicContact CB-CE1 3.98Å; V121-F209 HydrophobicContact CG1-CD1 3.95Å; V121-F209 HydrophobicContact CG1-CE1 3.94Å; V121-F209 HydrophobicContact CG2-CE1 4.41Å; V121-F209 WeakPolarHBondContact O-CA 3.33Å; V121-L210 PolarHBondContact O-N 2.9Å
122I98.4Very high95.7Very high0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans-118.2113.3178.1-54.2174.7000108.4V120 L132 T135 V136 I151 V152 L153 V154 L210 A212V120-I122 HydrophobicContact CG1-CD1 4.37Å; V120-I122 HydrophobicContact CG1-CG1 4.08Å; I122-L132 HydrophobicContact CG2-CD1 4.38Å; I122-T135 HydrophobicContact CD1-CG2 3.91Å; I122-V136 HydrophobicContact CD1-CG2 4.32Å; I122-I151 HydrophobicContact CD1-CG2 3.92Å; I122-I151 HydrophobicContact CG1-CG2 4.43Å; I122-V152 PolarHBondContact N-O 2.84Å; I122-L153 HydrophobicContact CB-CD2 3.72Å; I122-L153 HydrophobicContact CD1-CD2 3.92Å; I122-L153 HydrophobicContact CG1-CD2 4.23Å; I122-L153 HydrophobicContact CG2-CD2 4.25Å; I122-L153 CarbonylContact O-C 3.37Å; I122-L153 WeakPolarHBondContact O-CA 3.39Å; I122-V154 PolarHBondContact O-N 2.77Å; I122-L210 WeakPolarHBondContact CA-O 3.27Å; I122-L210 HydrophobicContact CG1-CB 4.24Å; I122-A212 HydrophobicContact CG2-CB 3.81Å
123V97.1Very high96Very high12 Ų1226.3 Ų26.37%0.07313%0.129CC..EExtended strand (participates in β ladder)trans-91136.1174.5176.60000109.4V154 L189 A192 R193V123-V154 WeakPolarHBondContact CA-O 3.41Å; V123-V154 HydrophobicContact CG2-CB 4.18Å; V123-L189 HydrophobicContact CB-CD1 3.86Å; V123-L189 HydrophobicContact CG1-CD1 3.83Å; V123-L189 HydrophobicContact CG2-CD1 4.37Å; V123-A192 HydrophobicContact CB-CB 4.31Å; V123-A192 HydrophobicContact CG1-CB 3.43Å; V123-A192 VanDerWaalsContact CG1-CB 3.43Å; V123-A192 HydrophobicContact CG2-CB 3.85Å; V123-R193 HydrophobicContact CG2-CB 4.4Å; V123-R193 HydrophobicContact CG2-CG 3.59Å
124F96.4Very high96.4Very high5 Ų518.8 Ų18.82%0.0229%0.088CC..EExtended strand (participates in β ladder)trans-140.3149.8175.570.9-82.2000112.1E127 L132 L153 V154 D155 D156 L163 L167 A212F124-E127 HydrophobicContact CB-CB 4.1Å; F124-L132 HydrophobicContact CB-CD1 4.33Å; F124-L132 HydrophobicContact CD1-CD1 4.29Å; F124-L132 HydrophobicContact CD2-CD2 4.19Å; F124-L132 HydrophobicContact CE2-CD2 4.3Å; F124-L132 HydrophobicContact CG-CD1 4.29Å; F124-L132 HydrophobicContact CG-CD2 4.29Å; F124-L132 HydrophobicContact CZ-CD2 4.49Å; F124-L153 HydrophobicContact CD1-CB 4.45Å; F124-L153 HydrophobicContact CE1-CB 3.91Å; F124-V154 WeakPolarHBondContact CD1-O 3.23Å; F124-V154 PolarHBondContact N-O 3.4Å; F124-D155 HydrophobicContact CE1-CB 3.84Å; F124-D155 HydrophobicContact CE2-CB 3.86Å; F124-D155 HydrophobicContact CZ-CB 3.42Å; F124-D155 VanDerWaalsContact CZ-CB 3.42Å; F124-D156 PolarHBondContact O-N 3.35Å; F124-L163 HydrophobicContact CD2-CD1 4.2Å; F124-L163 HydrophobicContact CD2-CD2 4.36Å; F124-L163 HydrophobicContact CE2-CB 4.17Å; F124-L163 HydrophobicContact CE2-CD1 4.13Å; F124-L163 HydrophobicContact CE2-CD2 4.08Å; F124-L163 HydrophobicContact CE2-CG 4.35Å; F124-L167 HydrophobicContact CE1-CD2 4.36Å; F124-L167 HydrophobicContact CE2-CD2 4.19Å; F124-L167 HydrophobicContact CZ-CD2 3.65Å; F124-A212 HydrophobicContact CB-CB 3.67Å
125H94.6Very high96.7Very high18 Ų1813.1 Ų13.18%0.0836%0.058CC..SBendtrans-142.8121.2169.4176.175.8000107.6E127 D156 A157 S158 Y354H125-E127 PolarHBondContact O-N 3.34Å; H125-D156 HydrophobicContact CB-CB 4.32Å; H125-D156 PolarHBondContact ND1-O 2.93Å; H125-A157 PolarHBondContact CE1-O 2.88Å; H125-A157 VanDerWaalsContact CE1-O 3.28Å; H125-A157 PolarHBondContact ND1-O 3.42Å; H125-S158 WeakPolarHBondContact CA-OG 3.48Å; H125-Y354 AromaticContact CD2-CD1 3.64Å; H125-Y354 AromaticContact CD2-CE1 3.97Å; H125-Y354 WeakPolarHBondContact O-CE1 3.18Å; H125-Y354 PolarHBondContact O-OH 3.39Å
126N93.4Very high96.8Very high22 Ų2212.2 Ų12.212%0.1185%0.053CC..SBendtrans50.731.3178.4-74.5-24.4000114.6N82 S158 E159 R160N82-N126 PolarHBondContact ND2-O 3.45Å; N126-S158 PolarHBondContact N-OG 3.39Å; N126-E159 PolarHBondContact OD1-N 3.34Å; N126-R160 PolarHBondContact O-NE 2.83Å; N126-R160 PolarHBondContact O-NH1 3.13Å; N126-R160 PolarHBondContact O-NH2 2.87Å
127E95.3Very high96.9Very high1 Ų113.1 Ų13.11%0.0056%0.057CC..  trans-70.7155.6-179.4-164.855.5-97.300111.7F124 H125 T131 L132 A212 H213 R349F124-E127 HydrophobicContact CB-CB 4.1Å; H125-E127 PolarHBondContact O-N 3.34Å; E127-T131 PolarHBondContact OE1-OG1 2.97Å; E127-L132 HydrophobicContact CG-CB 4.16Å; E127-A212 HydrophobicContact CB-CB 4.39Å; E127-A212 HydrophobicContact CG-CB 3.83Å; E127-H213 IonicContact OE2-CE1 3.26Å; E127-H213 PolarHBondContact OE2-CE1 2.82Å; E127-H213 IonicContact OE2-CG 2.89Å; E127-H213 IonicContact OE2-ND1 2.76Å; E127-H213 PolarHBondContact OE2-ND1 3.46Å; E127-R349 VanDerWaalsContact CD-NH2 3.27Å; E127-R349 IonicContact OE1-NH2 2.79Å; E127-R349 PolarHBondContact OE1-NH2 2.79Å; E127-R349 IonicContact OE2-CZ 2.72Å; E127-R349 IonicContact OE2-NH2 3.26Å; E127-R349 PolarHBondContact OE2-NH2 3.41Å
128A95.1Very high97Very high1 Ų18.9 Ų8.91%0.0084%0.041CC..  trans-70.8143.8172.700000111.4N82 F84 L86 S130 T131 L132N82-A128 PolarHBondContact ND2-N 3.19Å; F84-A128 HydrophobicContact CE2-CB 4.23Å; F84-A128 HydrophobicContact CZ-CB 3.79Å; L86-A128 HydrophobicContact CD1-CB 3.41Å; L86-A128 VanDerWaalsContact CD1-CB 3.41Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.12Å; A128-T131 PolarHBondContact O-N 3.07Å; A128-T131 PolarHBondContact O-OG1 2.8Å; A128-L132 WeakPolarHBondContact O-CB 3.21Å; A128-L132 PolarHBondContact O-N 3.07Å
129W95.7Very high97Very high81 Ų818.9 Ų8.931%0.3074%0.041SC..Hα-helixtrans-57.7-45.1179.1178.1-93000112.3L133 F162 P166 L167 Y170W129-L133 HydrophobicContact CD2-CD1 3.89Å; W129-L133 HydrophobicContact CD2-CG 4.49Å; W129-L133 HydrophobicContact CG-CD1 4.34Å; W129-L133 HydrophobicContact CH2-CD1 4.19Å; W129-L133 HydrophobicContact CZ2-CD1 3.46Å; W129-L133 VanDerWaalsContact CZ2-CD1 3.46Å; W129-L133 WeakPolarHBondContact O-CB 3.44Å; W129-L133 PolarHBondContact O-N 2.82Å; W129-F162 HydrophobicContact CB-CD2 4.04Å; W129-F162 HydrophobicContact CB-CE2 4.03Å; W129-F162 HydrophobicContact CE3-CB 4.37Å; W129-F162 AromaticContact CE3-CD2 3.97Å; W129-F162 HydrophobicContact CE3-CD2 3.97Å; W129-F162 VanDerWaalsContact CZ3-O 3.25Å; W129-F162 WeakPolarHBondContact CZ3-O 2.98Å; W129-P166 HydrophobicContact CH2-CB 4.49Å; W129-P166 HydrophobicContact CZ3-CB 4.44Å; W129-L167 HydrophobicContact CZ3-CB 3.96Å; W129-L167 HydrophobicContact CZ3-CD1 4.06Å; W129-Y170 HydrophobicContact CH2-CD2 4.49Å; W129-Y170 HydrophobicContact CH2-CG 4.22Å; W129-Y170 AromaticContact CZ2-CD2 3.98Å; W129-Y170 HydrophobicContact CZ2-CD2 3.98Å; W129-Y170 HydrophobicContact CZ2-CG 4.08Å
130S96.2Very high97Very high9 Ų99.4 Ų9.46%0.0634%0.044CC..Hα-helixtrans-65-43.8-177.253.90000112.7S89 L94 A128 R134S89-S130 WeakPolarHBondContact CB-OG 3.45Å; S89-S130 WeakPolarHBondContact OG-CB 2.89Å; S89-S130 PolarHBondContact OG-OG 3.24Å; L94-S130 WeakPolarHBondContact CD2-O 3.28Å; A128-S130 VanDerWaalsContact C-N 3.32Å; A128-S130 PolarHBondContact O-N 3.12Å; S130-R134 WeakPolarHBondContact O-CB 3.47Å; S130-R134 PolarHBondContact O-N 2.8Å
131T96.5Very high96.9Very high4 Ų413.2 Ų13.23%0.0256%0.064CC..Hα-helixtrans-73.3-42.1-179.950.80000112.4F84 S89 E127 A128 R134 T135 A212 F248F84-T131 HydrophobicContact CE2-CG2 3.68Å; F84-T131 HydrophobicContact CZ-CG2 3.64Å; S89-T131 WeakPolarHBondContact OG-CG2 3.31Å; E127-T131 PolarHBondContact OE1-OG1 2.97Å; A128-T131 PolarHBondContact O-N 3.07Å; A128-T131 PolarHBondContact O-OG1 2.8Å; T131-R134 PolarHBondContact O-N 2.96Å; T131-T135 PolarHBondContact O-N 2.94Å; T131-T135 PolarHBondContact O-OG1 2.88Å; T131-A212 CarbonylContact C-O 3.56Å; T131-F248 HydrophobicContact CG2-CE1 3.97Å; T131-F248 HydrophobicContact CG2-CZ 3.9Å
132L98Very high96.8Very high0 Ų014.5 Ų14.50%07%0.069CC..Hα-helixtrans-59-51.8176.8174.862.4000110.9I122 F124 E127 A128 T135 V136 L153 L163 L167 A212I122-L132 HydrophobicContact CG2-CD1 4.38Å; F124-L132 HydrophobicContact CB-CD1 4.33Å; F124-L132 HydrophobicContact CD1-CD1 4.29Å; F124-L132 HydrophobicContact CD2-CD2 4.19Å; F124-L132 HydrophobicContact CE2-CD2 4.3Å; F124-L132 HydrophobicContact CG-CD1 4.29Å; F124-L132 HydrophobicContact CG-CD2 4.29Å; F124-L132 HydrophobicContact CZ-CD2 4.49Å; E127-L132 HydrophobicContact CG-CB 4.16Å; A128-L132 WeakPolarHBondContact O-CB 3.21Å; A128-L132 PolarHBondContact O-N 3.07Å; L132-T135 WeakPolarHBondContact O-CB 3.17Å; L132-T135 PolarHBondContact O-N 2.94Å; L132-V136 WeakPolarHBondContact O-CG2 3.38Å; L132-V136 PolarHBondContact O-N 3.21Å; L132-V136 VanDerWaalsContact O-N 3.11Å; L132-L153 HydrophobicContact CD1-CD2 4.44Å; L132-L163 HydrophobicContact CD2-CD2 3.75Å; L132-L167 HydrophobicContact CD2-CD1 4.05Å; L132-L167 HydrophobicContact CD2-CD2 3.91Å; L132-A212 VanDerWaalsContact CA-O 3.32Å; L132-A212 WeakPolarHBondContact CA-O 3.46Å; L132-A212 HydrophobicContact CD1-CB 3.95Å; L132-A212 PolarHBondContact N-O 3.4Å
133L97.9Very high96.8Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-71.4-32.9-179.1-70.6-175.2000112.9L94 W129 T135 V136 H137 L167 Y170 V171L94-L133 HydrophobicContact CD1-CB 4.03Å; L94-L133 HydrophobicContact CD1-CD1 4.22Å; L94-L133 HydrophobicContact CD2-CB 4.07Å; W129-L133 HydrophobicContact CD2-CD1 3.89Å; W129-L133 HydrophobicContact CD2-CG 4.49Å; W129-L133 HydrophobicContact CG-CD1 4.34Å; W129-L133 HydrophobicContact CH2-CD1 4.19Å; W129-L133 HydrophobicContact CZ2-CD1 3.46Å; W129-L133 VanDerWaalsContact CZ2-CD1 3.46Å; W129-L133 WeakPolarHBondContact O-CB 3.44Å; W129-L133 PolarHBondContact O-N 2.82Å; L133-T135 PolarHBondContact O-N 3.14Å; L133-V136 PolarHBondContact O-N 3.17Å; L133-H137 WeakPolarHBondContact O-CB 3.38Å; L133-H137 PolarHBondContact O-CD2 3.04Å; L133-H137 PolarHBondContact O-N 3.28Å; L133-L167 HydrophobicContact CD2-CD1 3.92Å; L133-Y170 HydrophobicContact CD1-CD1 3.74Å; L133-Y170 HydrophobicContact CD1-CD2 4.37Å; L133-Y170 HydrophobicContact CD1-CE1 3.56Å; L133-Y170 HydrophobicContact CD1-CE2 4.21Å; L133-Y170 HydrophobicContact CD1-CG 4.16Å; L133-Y170 HydrophobicContact CD2-CD1 3.64Å; L133-Y170 HydrophobicContact CD2-CE1 3.71Å; L133-Y170 HydrophobicContact CG-CD1 4.37Å; L133-Y170 HydrophobicContact CG-CE1 4.21Å; L133-V171 HydrophobicContact CD2-CG1 4.34Å
134R98Very high96.7Very high3 Ų316.2 Ų16.21%0.0118%0.08CC..Hα-helixtrans-62.4-36.2172.6-171.9177.6-57.3123.415.2111.4S89 I92 A93 L94 S130 T131 S138 E215S89-R134 PolarHBondContact O-NH2 2.78Å; S89-R134 PolarHBondContact OG-NH1 2.93Å; S89-R134 PolarHBondContact OG-NH2 2.85Å; I92-R134 PolarHBondContact O-NH2 3.14Å; A93-R134 PolarHBondContact O-NE 2.8Å; L94-R134 HydrophobicContact CD2-CB 4.27Å; L94-R134 WeakPolarHBondContact O-CG 3.31Å; S130-R134 WeakPolarHBondContact O-CB 3.47Å; S130-R134 PolarHBondContact O-N 2.8Å; T131-R134 PolarHBondContact O-N 2.96Å; R134-S138 WeakPolarHBondContact O-CB 3.33Å; R134-S138 PolarHBondContact O-N 3.28Å; R134-E215 WeakPolarHBondContact CD-OE1 3.17Å; R134-E215 HydrophobicContact CG-CG 4.03Å
135T98.5Very high96.5Very high0 Ų021.5 Ų21.50%011%0.105CC..Hα-helixtrans-62-48.7172.3-51.40000111I122 T131 L132 L133 S138 V139 A212 H213 C214I122-T135 HydrophobicContact CD1-CG2 3.91Å; T131-T135 PolarHBondContact O-N 2.94Å; T131-T135 PolarHBondContact O-OG1 2.88Å; L132-T135 WeakPolarHBondContact O-CB 3.17Å; L132-T135 PolarHBondContact O-N 2.94Å; L133-T135 PolarHBondContact O-N 3.14Å; T135-S138 PolarHBondContact O-N 3.39Å; T135-V139 WeakPolarHBondContact O-CG2 3.3Å; T135-V139 PolarHBondContact O-N 3.42Å; T135-A212 VanDerWaalsContact OG1-C 3.24Å; T135-A212 PolarHBondContact OG1-O 2.97Å; T135-A212 VanDerWaalsContact OG1-O 3.12Å; T135-H213 PolarHBondContact OG1-N 3.06Å; T135-C214 WeakPolarHBondContact CA-O 3.04Å; T135-C214 WeakPolarHBondContact CB-O 3.3Å; T135-C214 HydrophobicContact CG2-CB 4Å; T135-C214 PolarHBondContact OG1-N 2.8Å; T135-C214 PolarHBondContact OG1-O 2.81Å
136V98.4Very high96.5Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-60.1-51.4178.9173.80000111.6I122 L132 L133 S138 V139 I140 I151 L153 L174 V178I122-V136 HydrophobicContact CD1-CG2 4.32Å; L132-V136 WeakPolarHBondContact O-CG2 3.38Å; L132-V136 PolarHBondContact O-N 3.21Å; L132-V136 VanDerWaalsContact O-N 3.11Å; L133-V136 PolarHBondContact O-N 3.17Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.28Å; V136-V139 PolarHBondContact O-N 2.99Å; V136-I140 HydrophobicContact CG1-CD1 3.89Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 3.21Å; V136-I151 HydrophobicContact CG1-CD1 4.16Å; V136-L153 HydrophobicContact CG2-CD1 4.12Å; V136-L153 HydrophobicContact CG2-CD2 3.84Å; V136-L174 HydrophobicContact CG1-CD1 3.7Å; V136-V178 HydrophobicContact CG1-CG2 4.36Å
137H97.9Very high96.6Very high27 Ų2725.1 Ų25.113%0.12513%0.129CC..Hα-helixtrans-61.1-40.9177.5-81.1-70.7000111.7L94 L133 V139 I140 D141 Y170L94-H137 WeakPolarHBondContact O-CB 3.47Å; L133-H137 WeakPolarHBondContact O-CB 3.38Å; L133-H137 PolarHBondContact O-CD2 3.04Å; L133-H137 PolarHBondContact O-N 3.28Å; H137-V139 VanDerWaalsContact C-N 3.3Å; H137-V139 PolarHBondContact O-N 3.11Å; H137-I140 PolarHBondContact O-N 3.32Å; H137-D141 VanDerWaalsContact O-CB 3.28Å; H137-D141 WeakPolarHBondContact O-CB 3.48Å; H137-D141 PolarHBondContact O-N 2.84Å; H137-Y170 AromaticContact NE2-CE1 3.7Å; H137-Y170 AromaticContact NE2-CZ 3.71Å; H137-Y170 PolarHBondContact NE2-OH 3.36Å
138S97.9Very high96.6Very high2 Ų225.4 Ų25.41%0.01413%0.13CC..Hα-helixtrans-61.3-38.5177.3-1790000112.9R134 T135 V136 R142 C216R134-S138 WeakPolarHBondContact O-CB 3.33Å; R134-S138 PolarHBondContact O-N 3.28Å; T135-S138 PolarHBondContact O-N 3.39Å; V136-S138 VanDerWaalsContact C-N 3.31Å; V136-S138 PolarHBondContact O-N 3.28Å; S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 PolarHBondContact O-N 3.43Å; S138-R142 PolarHBondContact OG-NH1 3Å; S138-C216 PolarHBondContact OG-N 3.4Å; S138-C216 PolarHBondContact OG-O 3.21Å
139V98.3Very high96.6Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-66.1-46.3174.1171.90000110.4V120 T135 V136 H137 S143 L148 I151 L210 W220V120-V139 HydrophobicContact CB-CG1 4.38Å; V120-V139 HydrophobicContact CG1-CG1 4.36Å; V120-V139 HydrophobicContact CG1-CG2 4.35Å; V120-V139 HydrophobicContact CG2-CG1 3.99Å; T135-V139 WeakPolarHBondContact O-CG2 3.3Å; T135-V139 PolarHBondContact O-N 3.42Å; V136-V139 PolarHBondContact O-N 2.99Å; H137-V139 VanDerWaalsContact C-N 3.3Å; H137-V139 PolarHBondContact O-N 3.11Å; V139-S143 WeakPolarHBondContact O-CB 3.39Å; V139-S143 PolarHBondContact O-N 3.45Å; V139-S143 VanDerWaalsContact O-N 3.12Å; V139-S143 PolarHBondContact O-OG 2.65Å; V139-L148 HydrophobicContact CG1-CD1 4.19Å; V139-L148 HydrophobicContact CG1-CD2 3.91Å; V139-I151 HydrophobicContact CB-CD1 4.08Å; V139-I151 HydrophobicContact CG1-CD1 3.74Å; V139-I151 HydrophobicContact CG1-CG1 4.16Å; V139-L210 HydrophobicContact CG2-CD1 3.51Å; V139-W220 HydrophobicContact CG1-CZ2 4.49Å; V139-W220 HydrophobicContact CG2-CZ2 4.44Å
140I97.3Very high96.7Very high11 Ų1123.6 Ų23.66%0.05613%0.125CC..Hα-helixtrans-63.4-50.3-179.3-66.5172.9000110.9V136 H137 R142 I151 L174 V176 V178V136-I140 HydrophobicContact CG1-CD1 3.89Å; V136-I140 WeakPolarHBondContact O-CG1 3.42Å; V136-I140 PolarHBondContact O-N 3.21Å; H137-I140 PolarHBondContact O-N 3.32Å; I140-R142 VanDerWaalsContact C-N 3.26Å; I140-R142 PolarHBondContact O-N 2.96Å; I140-I151 HydrophobicContact CD1-CD1 4.16Å; I140-I151 HydrophobicContact CG1-CD1 3.67Å; I140-L174 HydrophobicContact CD1-CB 4.15Å; I140-L174 HydrophobicContact CD1-CD1 3.92Å; I140-L174 HydrophobicContact CD1-CD2 4.48Å; I140-L174 HydrophobicContact CD1-CG 4.41Å; I140-V176 HydrophobicContact CB-CG2 4.42Å; I140-V176 HydrophobicContact CD1-CB 4.2Å; I140-V176 HydrophobicContact CD1-CG2 4.5Å; I140-V176 HydrophobicContact CG1-CB 4.04Å; I140-V176 HydrophobicContact CG1-CG2 3.98Å; I140-V176 HydrophobicContact CG2-CG2 3.92Å; I140-V178 HydrophobicContact CD1-CG2 4.42Å
141D96.1Very high96.8Very high80 Ų8023.1 Ų23.143%0.42812%0.122SC..Hα-helixtrans-68.6-22.9-172.9-68.1-12.7000113.3N95 H137N95-D141 VanDerWaalsContact CB-OD2 3.31Å; N95-D141 WeakPolarHBondContact CB-OD2 3.43Å; H137-D141 VanDerWaalsContact O-CB 3.28Å; H137-D141 WeakPolarHBondContact O-CB 3.48Å; H137-D141 PolarHBondContact O-N 2.84Å
142R96.6Very high96.8Very high29 Ų2923 Ų2311%0.10912%0.121CC..Hα-helixtrans-125.411.3-170-59.9172.7-175.2130.913.6114.2R96 L98 S138 I140 C216 W220R96-R142 PolarHBondContact O-NH2 3.13Å; L98-R142 VanDerWaalsContact CD1-NH1 3.35Å; S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 PolarHBondContact O-N 3.43Å; S138-R142 PolarHBondContact OG-NH1 3Å; I140-R142 VanDerWaalsContact C-N 3.26Å; I140-R142 PolarHBondContact O-N 2.96Å; R142-C216 WeakPolarHBondContact CD-O 3.37Å; R142-C216 PolarHBondContact NE-O 3.34Å; R142-C216 PolarHBondContact NH1-O 3.15Å; R142-W220 PolarHBondContact O-NE1 3.15Å
143S97.1Very high96.8Very high7 Ų723 Ų235%0.04912%0.121CC..SBendtrans-113.4131.9171.9-53.30000109.2V139 H145 W220V139-S143 WeakPolarHBondContact O-CB 3.39Å; V139-S143 PolarHBondContact O-N 3.45Å; V139-S143 VanDerWaalsContact O-N 3.12Å; V139-S143 PolarHBondContact O-OG 2.65Å; S143-H145 PolarHBondContact O-N 3.01Å; S143-W220 PolarHBondContact OG-NE1 3.19Å; S143-W220 VanDerWaalsContact OG-NE1 3.15Å
144P95.4Very high96.8Very high41 Ų4123 Ų2327%0.26612%0.121SC..  trans-57.8128.7174-24.434000111.2T146 L147 L148 E222P144-T146 PolarHBondContact O-N 2.94Å; P144-T146 VanDerWaalsContact O-N 3.07Å; P144-L147 HydrophobicContact CB-CB 4.49Å; P144-L147 HydrophobicContact CB-CD1 4.15Å; P144-L147 HydrophobicContact CB-CG 4.09Å; P144-L147 HydrophobicContact CG-CD1 4.01Å; P144-L147 HydrophobicContact CG-CG 4.49Å; P144-L147 PolarHBondContact O-N 2.72Å; P144-L148 PolarHBondContact O-N 2.8Å; P144-L148 VanDerWaalsContact O-N 3.15Å; P144-E222 HydrophobicContact CG-CG 4.11Å; P144-E222 WeakPolarHBondContact CG-OE1 3.32Å
145H92.4Very high96.8Very high115 Ų11523.1 Ų23.153%0.53212%0.122SC..THydrogen-bonded Turntrans-57.1-26.9-178.3-69.7-80.1000113.6S143 L147S143-H145 PolarHBondContact O-N 3.01Å; H145-L147 VanDerWaalsContact C-N 3.28Å; H145-L147 PolarHBondContact O-N 3.49Å
146T93.6Very high96.6Very high107 Ų10723.4 Ų23.466%0.65612%0.123SC*.THydrogen-bonded Turntrans-69.2-26.117651.80000112.8R117 P144R117-T146 WeakPolarHBondContact CG-O 3.47Å; R117-T146 PolarHBondContact NE-O 3.01Å; P144-T146 PolarHBondContact O-N 2.94Å; P144-T146 VanDerWaalsContact O-N 3.07Å
147L95.9Very high96.5Very high10 Ų1024.7 Ų24.75%0.05213%0.134CC..THydrogen-bonded Turntrans-98.9-27.3-175.9-55.8-176.1000112.9L115 R117 T118 P144 H145 L221 E222 L225L115-L147 HydrophobicContact CB-CD1 4.3Å; L115-L147 HydrophobicContact CB-CD2 3.64Å; L115-L147 HydrophobicContact CD1-CD1 3.88Å; R117-L147 CarbonylContact C-O 3.55Å; R117-L147 VanDerWaalsContact CA-O 3.27Å; R117-L147 WeakPolarHBondContact CA-O 3.41Å; T118-L147 PolarHBondContact N-O 3.33Å; P144-L147 HydrophobicContact CB-CB 4.49Å; P144-L147 HydrophobicContact CB-CD1 4.15Å; P144-L147 HydrophobicContact CB-CG 4.09Å; P144-L147 HydrophobicContact CG-CD1 4.01Å; P144-L147 HydrophobicContact CG-CG 4.49Å; P144-L147 PolarHBondContact O-N 2.72Å; H145-L147 VanDerWaalsContact C-N 3.28Å; H145-L147 PolarHBondContact O-N 3.49Å; L147-L221 HydrophobicContact CB-CD2 4.18Å; L147-E222 HydrophobicContact CD1-CG 4.01Å; L147-L225 HydrophobicContact CB-CD1 4Å; L147-L225 HydrophobicContact CD1-CD1 4.01Å; L147-L225 HydrophobicContact CG-CD1 4.45Å
148L96.3Very high96.3Very high6 Ų623.9 Ų23.93%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-85113177.4-17457.9000110.3R117 V120 V139 P144 I151 V176R117-L148 PolarHBondContact NH2-O 2.91Å; V120-L148 HydrophobicContact CB-CD1 4.37Å; V120-L148 HydrophobicContact CG2-CD1 3.59Å; V139-L148 HydrophobicContact CG1-CD1 4.19Å; V139-L148 HydrophobicContact CG1-CD2 3.91Å; P144-L148 PolarHBondContact O-N 2.8Å; P144-L148 VanDerWaalsContact O-N 3.15Å; L148-I151 HydrophobicContact CD1-CG1 4.3Å; L148-I151 HydrophobicContact CD2-CD1 4.39Å; L148-I151 HydrophobicContact CD2-CG1 4.38Å; L148-V176 HydrophobicContact CD2-CB 4.48Å; L148-V176 HydrophobicContact CD2-CG1 3.76Å; L148-V176 HydrophobicContact CD2-CG2 4.07Å; L148-V176 HydrophobicContact CG-CG1 3.96Å
149E95.8Very high96.1Very high39 Ų3930.8 Ų30.818%0.18216%0.164CC..EExtended strand (participates in β ladder)trans-79.5-54.7176.7-173.372.3-117.900111.2R117 T118 T201 C204R117-E149 HydrophobicContact CB-CB 4.45Å; R117-E149 WeakPolarHBondContact CD-OE2 3.32Å; R117-E149 IonicContact CZ-OE1 2.75Å; R117-E149 VanDerWaalsContact CZ-OE1 3.28Å; R117-E149 IonicContact CZ-OE2 3.95Å; R117-E149 IonicContact NE-OE2 2.96Å; R117-E149 PolarHBondContact NE-OE2 2.85Å; R117-E149 IonicContact NH1-OE1 3.24Å; R117-E149 PolarHBondContact NH1-OE1 2.76Å; R117-E149 IonicContact NH1-OE2 3.27Å; R117-E149 PolarHBondContact NH1-OE2 2.96Å; R117-E149 IonicContact NH2-OE1 2.93Å; R117-E149 PolarHBondContact NH2-OE1 2.86Å; R117-E149 IonicContact NH2-OE2 2.84Å; T118-E149 WeakPolarHBondContact O-CB 3.48Å; T118-E149 PolarHBondContact O-N 2.49Å; E149-T201 WeakPolarHBondContact CG-OG1 3.44Å; E149-C204 HydrophobicContact CB-CB 4.3Å; E149-C204 HydrophobicContact CG-CB 4.44Å
150E96.4Very high95.8Very high5 Ų533.4 Ų33.42%0.02317%0.173CC..EExtended strand (participates in β ladder)trans-160.7165.8-177.774.8-166.7129.900110.1S119 V120 V152 P177 R179 T201S119-E150 WeakPolarHBondContact OG-CG 3.39Å; S119-E150 PolarHBondContact OG-OE1 3.12Å; V120-E150 PolarHBondContact N-O 3.42Å; E150-V152 HydrophobicContact CG-CG2 3.89Å; E150-P177 VanDerWaalsContact CA-O 3.31Å; E150-P177 WeakPolarHBondContact CA-O 3.5Å; E150-P177 HydrophobicContact CB-CB 4.3Å; E150-P177 WeakPolarHBondContact CB-O 3.36Å; E150-R179 VanDerWaalsContact OE2-CD 3.32Å; E150-R179 WeakPolarHBondContact OE2-CD 3.38Å; E150-R179 IonicContact OE2-NH1 3.81Å; E150-R179 PolarHBondContact OE2-NH1 3.43Å; E150-R179 VanDerWaalsContact OE2-NH1 3.07Å; E150-T201 VanDerWaalsContact OE1-CB 3.25Å; E150-T201 WeakPolarHBondContact OE1-CB 3.11Å; E150-T201 WeakPolarHBondContact OE1-CG2 3.5Å; E150-T201 PolarHBondContact OE1-N 2.95Å; E150-T201 PolarHBondContact OE1-OG1 3.42Å; E150-T201 WeakPolarHBondContact OE2-CG2 3.47Å
151I97.9Very high95.6Very high0 Ų038.3 Ų38.30%020%0.2CC..EExtended strand (participates in β ladder)trans-114.2123.5166.3-56.3174.7000108.6V120 I122 V136 V139 I140 L148 L153 V176 P177 V178 R179V120-I151 HydrophobicContact CB-CG1 4.41Å; V120-I151 CarbonylContact O-C 3.6Å; V120-I151 WeakPolarHBondContact O-CA 3.37Å; I122-I151 HydrophobicContact CD1-CG2 3.92Å; I122-I151 HydrophobicContact CG1-CG2 4.43Å; V136-I151 HydrophobicContact CG1-CD1 4.16Å; V139-I151 HydrophobicContact CB-CD1 4.08Å; V139-I151 HydrophobicContact CG1-CD1 3.74Å; V139-I151 HydrophobicContact CG1-CG1 4.16Å; I140-I151 HydrophobicContact CD1-CD1 4.16Å; I140-I151 HydrophobicContact CG1-CD1 3.67Å; L148-I151 HydrophobicContact CD1-CG1 4.3Å; L148-I151 HydrophobicContact CD2-CD1 4.39Å; L148-I151 HydrophobicContact CD2-CG1 4.38Å; I151-L153 HydrophobicContact CG2-CD2 3.87Å; I151-L153 HydrophobicContact CG2-CG 4.4Å; I151-V176 HydrophobicContact CG1-CG1 4.41Å; I151-P177 PolarHBondContact N-O 3.41Å; I151-V178 HydrophobicContact CB-CG1 4.22Å; I151-V178 HydrophobicContact CB-CG2 4.06Å; I151-V178 HydrophobicContact CD1-CG2 4.26Å; I151-V178 HydrophobicContact CG1-CG2 4.5Å; I151-V178 HydrophobicContact CG2-CG1 4.36Å; I151-V178 CarbonylContact O-C 3.49Å; I151-V178 WeakPolarHBondContact O-CA 3.22Å; I151-R179 PolarHBondContact O-N 3.21Å
152V97.9Very high95.5Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-104.2106.1177.6-175.30000108.9V120 V121 I122 E150 V154 V181 I199V120-V152 PolarHBondContact O-N 2.85Å; V121-V152 WeakPolarHBondContact CA-O 3.36Å; V121-V152 HydrophobicContact CG2-CB 4.27Å; I122-V152 PolarHBondContact N-O 2.84Å; E150-V152 HydrophobicContact CG-CG2 3.89Å; V152-V154 HydrophobicContact CG1-CG2 3.97Å; V152-V181 HydrophobicContact CG1-CG2 4.47Å; V152-I199 HydrophobicContact CG1-CD1 3.56Å; V152-I199 HydrophobicContact CG1-CG1 3.97Å
153L98.3Very high95.4Very high0 Ų036.8 Ų36.80%019%0.19CC..EExtended strand (participates in β ladder)trans-88.9112.8173.6-58.5-174.1000109.3I122 F124 L132 V136 I151 V171 V178 R179 V180 V181I122-L153 HydrophobicContact CB-CD2 3.72Å; I122-L153 HydrophobicContact CD1-CD2 3.92Å; I122-L153 HydrophobicContact CG1-CD2 4.23Å; I122-L153 HydrophobicContact CG2-CD2 4.25Å; I122-L153 CarbonylContact O-C 3.37Å; I122-L153 WeakPolarHBondContact O-CA 3.39Å; F124-L153 HydrophobicContact CD1-CB 4.45Å; F124-L153 HydrophobicContact CE1-CB 3.91Å; L132-L153 HydrophobicContact CD1-CD2 4.44Å; V136-L153 HydrophobicContact CG2-CD1 4.12Å; V136-L153 HydrophobicContact CG2-CD2 3.84Å; I151-L153 HydrophobicContact CG2-CD2 3.87Å; I151-L153 HydrophobicContact CG2-CG 4.4Å; L153-V171 HydrophobicContact CD1-CG1 4.1Å; L153-V178 HydrophobicContact CD1-CG1 3.81Å; L153-V178 HydrophobicContact CG-CG1 3.86Å; L153-R179 PolarHBondContact N-O 2.93Å; L153-V180 HydrophobicContact CB-CG2 4.4Å; L153-V180 HydrophobicContact CD1-CG2 4.32Å; L153-V180 CarbonylContact O-C 3.48Å; L153-V180 WeakPolarHBondContact O-CA 3.45Å; L153-V181 PolarHBondContact O-N 3.4Å
154V97.8Very high95.3Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-103.3111.9178.8-170.70000109.8V121 I122 V123 F124 V152 V181 M183 A192 K195V121-V154 HydrophobicContact CG1-CG2 4.18Å; I122-V154 PolarHBondContact O-N 2.77Å; V123-V154 WeakPolarHBondContact CA-O 3.41Å; V123-V154 HydrophobicContact CG2-CB 4.18Å; F124-V154 WeakPolarHBondContact CD1-O 3.23Å; F124-V154 PolarHBondContact N-O 3.4Å; V152-V154 HydrophobicContact CG1-CG2 3.97Å; V154-V181 WeakPolarHBondContact CA-O 3.45Å; V154-M183 HydrophobicContact CG1-CG 4.23Å; V154-M183 HydrophobicContact CG1-SD 4.25Å; V154-A192 HydrophobicContact CG1-CB 3.93Å; V154-K195 HydrophobicContact CG1-CB 4.5Å
155D97.3Very high95.3Very high6 Ų647.8 Ų47.83%0.03223%0.227CC..EExtended strand (participates in β ladder)trans-85.8109.5174.5-177.216.3000111F124 A157 S158 V181 R182 M183F124-D155 HydrophobicContact CE1-CB 3.84Å; F124-D155 HydrophobicContact CE2-CB 3.86Å; F124-D155 HydrophobicContact CZ-CB 3.42Å; F124-D155 VanDerWaalsContact CZ-CB 3.42Å; D155-A157 PolarHBondContact O-N 3.48Å; D155-S158 WeakPolarHBondContact OD1-CA 3.32Å; D155-S158 WeakPolarHBondContact OD1-CB 3.3Å; D155-S158 PolarHBondContact OD1-N 3.29Å; D155-S158 PolarHBondContact OD1-OG 3.26Å; D155-V181 PolarHBondContact N-O 3.29Å; D155-R182 VanDerWaalsContact OD2-CD 3.25Å; D155-R182 WeakPolarHBondContact OD2-CD 3.32Å; D155-R182 IonicContact OD2-CZ 3.01Å; D155-R182 IonicContact OD2-NE 2.65Å; D155-R182 IonicContact OD2-NH1 2.77Å; D155-R182 PolarHBondContact OD2-NH1 2.9Å; D155-M183 WeakPolarHBondContact O-CB 3.32Å; D155-M183 WeakPolarHBondContact O-CG 3.42Å; D155-M183 PolarHBondContact O-N 3.32Å
156D95.3Very high95.5Very high6 Ų645 Ų453%0.03222%0.219CC..SBendtrans-82.361.8174.5-175.335.2000110.9F124 H125 M183 S187 G188 A192F124-D156 PolarHBondContact O-N 3.35Å; H125-D156 HydrophobicContact CB-CB 4.32Å; H125-D156 PolarHBondContact ND1-O 2.93Å; D156-M183 HydrophobicContact CB-SD 4.4Å; D156-S187 PolarHBondContact OD1-N 3.11Å; D156-G188 PolarHBondContact OD1-N 3.45Å; D156-G188 WeakPolarHBondContact OD2-CA 3.07Å; D156-G188 PolarHBondContact OD2-N 3.42Å; D156-A192 HydrophobicContact CB-CB 4.15Å
157A94.4Very high95.7Very high27 Ų2739.9 Ų39.922%0.22319%0.188CC..SBendtrans56.558178.200000114.5H125 D155 R186H125-A157 PolarHBondContact CE1-O 2.88Å; H125-A157 VanDerWaalsContact CE1-O 3.28Å; H125-A157 PolarHBondContact ND1-O 3.42Å; D155-A157 PolarHBondContact O-N 3.48Å; A157-R186 HydrophobicContact CB-CB 4.14Å
158S94.4Very high95.7Very high10 Ų1041.9 Ų41.97%0.0720%0.197CC..  trans-67.8143.2172.4-61.70000112.7H125 N126 D155H125-S158 WeakPolarHBondContact CA-OG 3.48Å; N126-S158 PolarHBondContact N-OG 3.39Å; D155-S158 WeakPolarHBondContact OD1-CA 3.32Å; D155-S158 WeakPolarHBondContact OD1-CB 3.3Å; D155-S158 PolarHBondContact OD1-N 3.29Å; D155-S158 PolarHBondContact OD1-OG 3.26Å
159E92.9Very high95.7Very high148 Ų14847.2 Ų47.269%0.69222%0.222SC*.  trans-92.2-28.7-178.3-64.6173.817800112N126 D161 K164N126-E159 PolarHBondContact OD1-N 3.34Å; E159-D161 PolarHBondContact O-N 3.02Å; E159-K164 WeakPolarHBondContact O-CE 3.33Å; E159-K164 PolarHBondContact O-NZ 2.04Å; E159-K164 VanDerWaalsContact O-NZ 3.07Å
160R91.7Very high95.7Very high55 Ų5549 Ų4921%0.20823%0.228CC..  trans-68.1126.5-173.4-57.1-175.4-176.3-173.10.8112.4I81 N82 N126 F162 L163I81-R160 PolarHBondContact O-NH2 3.45Å; N82-R160 PolarHBondContact OD1-NH1 3.35Å; N82-R160 PolarHBondContact OD1-NH2 3Å; N126-R160 PolarHBondContact O-NE 2.83Å; N126-R160 PolarHBondContact O-NH1 3.13Å; N126-R160 PolarHBondContact O-NH2 2.87Å; R160-F162 VanDerWaalsContact C-N 3.34Å; R160-F162 HydrophobicContact CB-CD1 4.15Å; R160-F162 HydrophobicContact CB-CE1 3.77Å; R160-F162 HydrophobicContact CB-CE2 4.34Å; R160-F162 HydrophobicContact CB-CZ 3.88Å; R160-F162 HydrophobicContact CG-CE1 4.22Å; R160-F162 HydrophobicContact CG-CZ 4.21Å; R160-F162 PolarHBondContact O-N 3.33Å; R160-L163 HydrophobicContact CB-CD1 4.14Å; R160-L163 HydrophobicContact CB-CG 4.32Å; R160-L163 WeakPolarHBondContact O-CB 3.32Å; R160-L163 PolarHBondContact O-N 3.34Å
161D93.9Very high95.7Very high114 Ų11448.9 Ų48.961%0.6123%0.228SC*.G310 helixtrans-64.2-33.6-173.1-70.4-33.9000114.7E159 L163 K164 P166E159-D161 PolarHBondContact O-N 3.02Å; D161-L163 PolarHBondContact O-N 3.36Å; D161-K164 WeakPolarHBondContact O-CB 3.4Å; D161-K164 PolarHBondContact O-N 2.98Å; D161-K164 IonicContact OD1-NZ 3.2Å; D161-K164 PolarHBondContact OD1-NZ 3.28Å; D161-P166 WeakPolarHBondContact O-CD 3.46Å
162F93.9Very high95.5Very high76 Ų7657.8 Ų57.833%0.33326%0.261SS..G310 helixtrans-63-25.3176.860.8-105.6000112.5W129 R160 K164 L167W129-F162 HydrophobicContact CB-CD2 4.04Å; W129-F162 HydrophobicContact CB-CE2 4.03Å; W129-F162 HydrophobicContact CE3-CB 4.37Å; W129-F162 AromaticContact CE3-CD2 3.97Å; W129-F162 HydrophobicContact CE3-CD2 3.97Å; W129-F162 VanDerWaalsContact CZ3-O 3.25Å; W129-F162 WeakPolarHBondContact CZ3-O 2.98Å; R160-F162 VanDerWaalsContact C-N 3.34Å; R160-F162 HydrophobicContact CB-CD1 4.15Å; R160-F162 HydrophobicContact CB-CE1 3.77Å; R160-F162 HydrophobicContact CB-CE2 4.34Å; R160-F162 HydrophobicContact CB-CZ 3.88Å; R160-F162 HydrophobicContact CG-CE1 4.22Å; R160-F162 HydrophobicContact CG-CZ 4.21Å; R160-F162 PolarHBondContact O-N 3.33Å; F162-K164 VanDerWaalsContact C-N 3.27Å; F162-K164 PolarHBondContact O-N 2.79Å; F162-L167 PolarHBondContact O-N 3.26Å
163L95.4Very high95.4Very high0 Ų066.3 Ų66.30%030%0.298CS..G310 helixtrans-77.5-11.6176.6-66.1175.2000112.7F124 L132 R160 D161 L167 R182F124-L163 HydrophobicContact CD2-CD1 4.2Å; F124-L163 HydrophobicContact CD2-CD2 4.36Å; F124-L163 HydrophobicContact CE2-CB 4.17Å; F124-L163 HydrophobicContact CE2-CD1 4.13Å; F124-L163 HydrophobicContact CE2-CD2 4.08Å; F124-L163 HydrophobicContact CE2-CG 4.35Å; L132-L163 HydrophobicContact CD2-CD2 3.75Å; R160-L163 HydrophobicContact CB-CD1 4.14Å; R160-L163 HydrophobicContact CB-CG 4.32Å; R160-L163 WeakPolarHBondContact O-CB 3.32Å; R160-L163 PolarHBondContact O-N 3.34Å; D161-L163 PolarHBondContact O-N 3.36Å; L163-L167 WeakPolarHBondContact O-CB 3.27Å; L163-L167 WeakPolarHBondContact O-CD2 3.45Å; L163-R182 PolarHBondContact O-NH1 2.88Å; L163-R182 PolarHBondContact O-NH2 2.89Å
164K94.6Very high95.2Very high82 Ų8267.9 Ų67.936%0.35731%0.306SS..THydrogen-bonded Turntrans-85.6-120.1-175.9-59.8175.7-170.4156.80111.1E159 D161 F162 P166 L167 E168 R182E159-K164 WeakPolarHBondContact O-CE 3.33Å; E159-K164 PolarHBondContact O-NZ 2.04Å; E159-K164 VanDerWaalsContact O-NZ 3.07Å; D161-K164 WeakPolarHBondContact O-CB 3.4Å; D161-K164 PolarHBondContact O-N 2.98Å; D161-K164 IonicContact OD1-NZ 3.2Å; D161-K164 PolarHBondContact OD1-NZ 3.28Å; F162-K164 VanDerWaalsContact C-N 3.27Å; F162-K164 PolarHBondContact O-N 2.79Å; K164-P166 VanDerWaalsContact C-CD 3.41Å; K164-L167 PolarHBondContact O-N 3.41Å; K164-E168 PolarHBondContact O-N 2.95Å; K164-R182 VanDerWaalsContact C-NH2 3.35Å; K164-R182 VanDerWaalsContact CA-NH2 3.32Å; K164-R182 PolarHBondContact O-NH2 3.27Å
165R95.1Very high94.9Very high197 Ų19775.9 Ų75.974%0.74334%0.344SS*.Hα-helixtrans-54.6-39.6179.6-67.2-176.7-178172.21.4114L167 E168 Q169R165-L167 VanDerWaalsContact C-N 3.33Å; R165-L167 PolarHBondContact O-N 3.14Å; R165-E168 PolarHBondContact O-N 3.39Å; R165-Q169 WeakPolarHBondContact O-CG 3.36Å; R165-Q169 PolarHBondContact O-N 2.97Å
166P96.9Very high94.7Very high56 Ų5676 Ų7636%0.36435%0.345SS..Hα-helixtrans-61.3-40.1-180-25.336.9000112.9W129 D161 K164 Q169 Y170W129-P166 HydrophobicContact CH2-CB 4.49Å; W129-P166 HydrophobicContact CZ3-CB 4.44Å; D161-P166 WeakPolarHBondContact O-CD 3.46Å; K164-P166 VanDerWaalsContact C-CD 3.41Å; P166-Q169 PolarHBondContact O-N 3.2Å; P166-Y170 WeakPolarHBondContact O-CB 3.43Å; P166-Y170 PolarHBondContact O-N 3.43Å
167L97.2Very high94.7Very high0 Ų079.6 Ų79.60%037%0.369CS..Hα-helixtrans-61.5-47.2175.5-178.263.6000111.5F124 W129 L132 L133 F162 L163 K164 R165 Q169 Y170 V171 V180F124-L167 HydrophobicContact CE1-CD2 4.36Å; F124-L167 HydrophobicContact CE2-CD2 4.19Å; F124-L167 HydrophobicContact CZ-CD2 3.65Å; W129-L167 HydrophobicContact CZ3-CB 3.96Å; W129-L167 HydrophobicContact CZ3-CD1 4.06Å; L132-L167 HydrophobicContact CD2-CD1 4.05Å; L132-L167 HydrophobicContact CD2-CD2 3.91Å; L133-L167 HydrophobicContact CD2-CD1 3.92Å; F162-L167 PolarHBondContact O-N 3.26Å; L163-L167 WeakPolarHBondContact O-CB 3.27Å; L163-L167 WeakPolarHBondContact O-CD2 3.45Å; K164-L167 PolarHBondContact O-N 3.41Å; R165-L167 VanDerWaalsContact C-N 3.33Å; R165-L167 PolarHBondContact O-N 3.14Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 2.93Å; L167-Y170 PolarHBondContact O-N 3.37Å; L167-Y170 VanDerWaalsContact O-N 3.15Å; L167-V171 HydrophobicContact CD1-CG1 3.97Å; L167-V171 HydrophobicContact CG-CG1 4.42Å; L167-V171 WeakPolarHBondContact O-CG1 3.48Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 3.47Å; L167-V180 HydrophobicContact CD2-CG1 4.43Å; L167-V180 HydrophobicContact CD2-CG2 4.5Å; L167-V180 HydrophobicContact CG-CG2 4.43Å
168E95.6Very high94.8Very high52 Ų5279.1 Ų79.124%0.24336%0.363CS..Hα-helixtrans-60.6-40.5178.6-73.8164.3-15200112.4K164 R165 Y170 R172 V180 R182K164-E168 PolarHBondContact O-N 2.95Å; R165-E168 PolarHBondContact O-N 3.39Å; E168-Y170 VanDerWaalsContact C-N 3.33Å; E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 WeakPolarHBondContact O-CD 3.49Å; E168-R172 WeakPolarHBondContact O-CG 3.22Å; E168-R172 PolarHBondContact O-N 3.36Å; E168-V180 HydrophobicContact CG-CB 4.03Å; E168-V180 HydrophobicContact CG-CG1 4.43Å; E168-V180 HydrophobicContact CG-CG2 4.06Å; E168-R182 IonicContact OE1-CZ 3.37Å; E168-R182 IonicContact OE1-NE 2.94Å; E168-R182 PolarHBondContact OE1-NE 3.28Å; E168-R182 IonicContact OE1-NH2 3.49Å; E168-R182 PolarHBondContact OE1-NH2 3.2Å
169Q96.4Very high94.8Very high119 Ų11983.6 Ų83.656%0.55638%0.378SS*.Hα-helixtrans-67.4-34.5176.6-72175.7-13.500112.6R165 P166 L167R165-Q169 WeakPolarHBondContact O-CG 3.36Å; R165-Q169 PolarHBondContact O-N 2.97Å; P166-Q169 PolarHBondContact O-N 3.2Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 2.93Å
170Y96.3Very high95Very high75 Ų7578 Ų7829%0.29435%0.354SS..Hα-helixtrans-69.2-54.1177.3-174.4-87.2000111W129 L133 H137 P166 L167 E168 R172 K173 L174W129-Y170 HydrophobicContact CH2-CD2 4.49Å; W129-Y170 HydrophobicContact CH2-CG 4.22Å; W129-Y170 AromaticContact CZ2-CD2 3.98Å; W129-Y170 HydrophobicContact CZ2-CD2 3.98Å; W129-Y170 HydrophobicContact CZ2-CG 4.08Å; L133-Y170 HydrophobicContact CD1-CD1 3.74Å; L133-Y170 HydrophobicContact CD1-CD2 4.37Å; L133-Y170 HydrophobicContact CD1-CE1 3.56Å; L133-Y170 HydrophobicContact CD1-CE2 4.21Å; L133-Y170 HydrophobicContact CD1-CG 4.16Å; L133-Y170 HydrophobicContact CD2-CD1 3.64Å; L133-Y170 HydrophobicContact CD2-CE1 3.71Å; L133-Y170 HydrophobicContact CG-CD1 4.37Å; L133-Y170 HydrophobicContact CG-CE1 4.21Å; H137-Y170 AromaticContact NE2-CE1 3.7Å; H137-Y170 AromaticContact NE2-CZ 3.71Å; H137-Y170 PolarHBondContact NE2-OH 3.36Å; P166-Y170 WeakPolarHBondContact O-CB 3.43Å; P166-Y170 PolarHBondContact O-N 3.43Å; L167-Y170 PolarHBondContact O-N 3.37Å; L167-Y170 VanDerWaalsContact O-N 3.15Å; E168-Y170 VanDerWaalsContact C-N 3.33Å; Y170-R172 VanDerWaalsContact C-N 3.28Å; Y170-R172 PolarHBondContact O-N 2.95Å; Y170-K173 PolarHBondContact O-N 2.82Å; Y170-K173 VanDerWaalsContact O-N 3.15Å; Y170-L174 HydrophobicContact CE1-CD2 4.24Å
171V96.1Very high95.2Very high4 Ų476.6 Ų76.62%0.02435%0.351CS..Hα-helixtrans-70.4-23.1-171.6-57.20000113.7L133 L153 L167 K173 L174 V178 V180L133-V171 HydrophobicContact CD2-CG1 4.34Å; L153-V171 HydrophobicContact CD1-CG1 4.1Å; L167-V171 HydrophobicContact CD1-CG1 3.97Å; L167-V171 HydrophobicContact CG-CG1 4.42Å; L167-V171 WeakPolarHBondContact O-CG1 3.48Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 3.47Å; V171-K173 PolarHBondContact O-N 3.2Å; V171-L174 HydrophobicContact CB-CD1 4.05Å; V171-L174 HydrophobicContact CG1-CD1 4.21Å; V171-L174 WeakPolarHBondContact O-CB 3.17Å; V171-L174 PolarHBondContact O-N 2.91Å; V171-V178 HydrophobicContact CB-CB 3.92Å; V171-V178 HydrophobicContact CB-CG1 3.78Å; V171-V178 HydrophobicContact CG1-CG1 4.08Å; V171-V178 HydrophobicContact CG2-CB 4.33Å; V171-V178 HydrophobicContact CG2-CG1 4.11Å; V171-V180 HydrophobicContact CG2-CG2 3.68Å
172R94.5Very high95.3Very high187 Ų18774.7 Ų74.771%0.70634%0.336SS*.THydrogen-bonded Turntrans-62.2-18.1173.1-80.7174.1-170.2170.37.3114.2E168 Y170E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 WeakPolarHBondContact O-CD 3.49Å; E168-R172 WeakPolarHBondContact O-CG 3.22Å; E168-R172 PolarHBondContact O-N 3.36Å; Y170-R172 VanDerWaalsContact C-N 3.28Å; Y170-R172 PolarHBondContact O-N 2.95Å
173K95.1Very high95.3Very high178 Ų17872.7 Ų72.777%0.77433%0.328SS*.THydrogen-bonded Turntrans-94.3-3.4-178.7-58.5176.4-175178.40113Y170 V171Y170-K173 PolarHBondContact O-N 2.82Å; Y170-K173 VanDerWaalsContact O-N 3.15Å; V171-K173 PolarHBondContact O-N 3.2Å
174L94.9Very high95.1Very high33 Ų3382.5 Ų82.517%0.17337%0.373CS..SBendtrans-77151.3-178.8-61.4174.3000110.5V136 I140 Y170 V171 V176 V178V136-L174 HydrophobicContact CG1-CD1 3.7Å; I140-L174 HydrophobicContact CD1-CB 4.15Å; I140-L174 HydrophobicContact CD1-CD1 3.92Å; I140-L174 HydrophobicContact CD1-CD2 4.48Å; I140-L174 HydrophobicContact CD1-CG 4.41Å; Y170-L174 HydrophobicContact CE1-CD2 4.24Å; V171-L174 HydrophobicContact CB-CD1 4.05Å; V171-L174 HydrophobicContact CG1-CD1 4.21Å; V171-L174 WeakPolarHBondContact O-CB 3.17Å; V171-L174 PolarHBondContact O-N 2.91Å; L174-V176 VanDerWaalsContact C-N 3.29Å; L174-V176 PolarHBondContact O-N 2.74Å; L174-V178 HydrophobicContact CB-CG2 4.32Å; L174-V178 HydrophobicContact CD1-CB 4.46Å; L174-V178 HydrophobicContact CD1-CG2 3.76Å
175E91.7Very high94.9Very high169 Ų16985.3 Ų85.379%0.7939%0.388SS*.SBendtrans-69.7-29-177-60.9-177.3167.500112.7
176V93.3Very high94.6Very high8 Ų879.2 Ų79.25%0.04837%0.365CS..SBendtrans-93.3139.6175.8176.80000109.1I140 L148 I151 L174 V178I140-V176 HydrophobicContact CB-CG2 4.42Å; I140-V176 HydrophobicContact CD1-CB 4.2Å; I140-V176 HydrophobicContact CD1-CG2 4.5Å; I140-V176 HydrophobicContact CG1-CB 4.04Å; I140-V176 HydrophobicContact CG1-CG2 3.98Å; I140-V176 HydrophobicContact CG2-CG2 3.92Å; L148-V176 HydrophobicContact CD2-CB 4.48Å; L148-V176 HydrophobicContact CD2-CG1 3.76Å; L148-V176 HydrophobicContact CD2-CG2 4.07Å; L148-V176 HydrophobicContact CG-CG1 3.96Å; I151-V176 HydrophobicContact CG1-CG1 4.41Å; L174-V176 VanDerWaalsContact C-N 3.29Å; L174-V176 PolarHBondContact O-N 2.74Å; V176-V178 WeakPolarHBondContact O-CG2 3.47Å; V176-V178 PolarHBondContact O-N 3.22Å
177P94.8Very high94.2Very high82 Ų8277.2 Ų77.253%0.53235%0.353SS..  trans-57.8111.3173.3-24.134.7000111.5E150 I151E150-P177 VanDerWaalsContact CA-O 3.31Å; E150-P177 WeakPolarHBondContact CA-O 3.5Å; E150-P177 HydrophobicContact CB-CB 4.3Å; E150-P177 WeakPolarHBondContact CB-O 3.36Å; I151-P177 PolarHBondContact N-O 3.41Å
178V96.5Very high93.7Very high17 Ų1777.2 Ų77.210%0.10335%0.353CS..EExtended strand (participates in β ladder)trans-114.4120.6174.7-174.90000109.8V136 I140 I151 L153 V171 L174 V176V136-V178 HydrophobicContact CG1-CG2 4.36Å; I140-V178 HydrophobicContact CD1-CG2 4.42Å; I151-V178 HydrophobicContact CB-CG1 4.22Å; I151-V178 HydrophobicContact CB-CG2 4.06Å; I151-V178 HydrophobicContact CD1-CG2 4.26Å; I151-V178 HydrophobicContact CG1-CG2 4.5Å; I151-V178 HydrophobicContact CG2-CG1 4.36Å; I151-V178 CarbonylContact O-C 3.49Å; I151-V178 WeakPolarHBondContact O-CA 3.22Å; L153-V178 HydrophobicContact CD1-CG1 3.81Å; L153-V178 HydrophobicContact CG-CG1 3.86Å; V171-V178 HydrophobicContact CB-CB 3.92Å; V171-V178 HydrophobicContact CB-CG1 3.78Å; V171-V178 HydrophobicContact CG1-CG1 4.08Å; V171-V178 HydrophobicContact CG2-CB 4.33Å; V171-V178 HydrophobicContact CG2-CG1 4.11Å; L174-V178 HydrophobicContact CB-CG2 4.32Å; L174-V178 HydrophobicContact CD1-CB 4.46Å; L174-V178 HydrophobicContact CD1-CG2 3.76Å; V176-V178 WeakPolarHBondContact O-CG2 3.47Å; V176-V178 PolarHBondContact O-N 3.22Å
179R94.9Very high93.4Very high104 Ų10476.2 Ų76.239%0.39235%0.349SS..EExtended strand (participates in β ladder)trans-111.6123.7-177.8-69.4171.465.8-154.40.9110.3E150 I151 L153 I199E150-R179 VanDerWaalsContact OE2-CD 3.32Å; E150-R179 WeakPolarHBondContact OE2-CD 3.38Å; E150-R179 IonicContact OE2-NH1 3.81Å; E150-R179 PolarHBondContact OE2-NH1 3.43Å; E150-R179 VanDerWaalsContact OE2-NH1 3.07Å; I151-R179 PolarHBondContact O-N 3.21Å; L153-R179 PolarHBondContact N-O 2.93Å; R179-I199 PolarHBondContact NH1-O 3.37Å; R179-I199 VanDerWaalsContact NH1-O 3.12Å
180V96.9Very high93.1Very high31 Ų3170.6 Ų70.619%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-93.9126.7172.4-169.30000109.4L153 L167 E168 V171L153-V180 HydrophobicContact CB-CG2 4.4Å; L153-V180 HydrophobicContact CD1-CG2 4.32Å; L153-V180 CarbonylContact O-C 3.48Å; L153-V180 WeakPolarHBondContact O-CA 3.45Å; L167-V180 HydrophobicContact CD2-CG1 4.43Å; L167-V180 HydrophobicContact CD2-CG2 4.5Å; L167-V180 HydrophobicContact CG-CG2 4.43Å; E168-V180 HydrophobicContact CG-CB 4.03Å; E168-V180 HydrophobicContact CG-CG1 4.43Å; E168-V180 HydrophobicContact CG-CG2 4.06Å; V171-V180 HydrophobicContact CG2-CG2 3.68Å
181V96.1Very high93Very high24 Ų2470.7 Ų70.715%0.14532%0.322CS..EExtended strand (participates in β ladder)trans-119.8125.9178.2174.70000109.2V152 L153 V154 D155 K195 I199V152-V181 HydrophobicContact CG1-CG2 4.47Å; L153-V181 PolarHBondContact O-N 3.4Å; V154-V181 WeakPolarHBondContact CA-O 3.45Å; D155-V181 PolarHBondContact N-O 3.29Å; V181-K195 HydrophobicContact CG1-CG 4.19Å; V181-I199 HydrophobicContact CB-CD1 3.81Å; V181-I199 HydrophobicContact CG1-CD1 3.87Å; V181-I199 HydrophobicContact CG2-CD1 3.12Å
182R95.6Very high92.9Very high75 Ų7570.5 Ų70.528%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-99133.1-178.8-55-62.4-178.2177.2-9110.6D155 L163 K164 E168D155-R182 VanDerWaalsContact OD2-CD 3.25Å; D155-R182 WeakPolarHBondContact OD2-CD 3.32Å; D155-R182 IonicContact OD2-CZ 3.01Å; D155-R182 IonicContact OD2-NE 2.65Å; D155-R182 IonicContact OD2-NH1 2.77Å; D155-R182 PolarHBondContact OD2-NH1 2.9Å; L163-R182 PolarHBondContact O-NH1 2.88Å; L163-R182 PolarHBondContact O-NH2 2.89Å; K164-R182 VanDerWaalsContact C-NH2 3.35Å; K164-R182 VanDerWaalsContact CA-NH2 3.32Å; K164-R182 PolarHBondContact O-NH2 3.27Å; E168-R182 IonicContact OE1-CZ 3.37Å; E168-R182 IonicContact OE1-NE 2.94Å; E168-R182 PolarHBondContact OE1-NE 3.28Å; E168-R182 IonicContact OE1-NH2 3.49Å; E168-R182 PolarHBondContact OE1-NH2 3.2Å
183M94.2Very high92.9Very high33 Ų3361.7 Ų61.716%0.16329%0.288CS..  trans-89.2138.9165.3-58.6-168.272.900109.6V154 D155 D156 Q185 S187 R191 A192V154-M183 HydrophobicContact CG1-CG 4.23Å; V154-M183 HydrophobicContact CG1-SD 4.25Å; D155-M183 WeakPolarHBondContact O-CB 3.32Å; D155-M183 WeakPolarHBondContact O-CG 3.42Å; D155-M183 PolarHBondContact O-N 3.32Å; D156-M183 HydrophobicContact CB-SD 4.4Å; M183-Q185 VanDerWaalsContact C-N 3.31Å; M183-S187 VanDerWaalsContact CE-CB 3.41Å; M183-S187 WeakPolarHBondContact CE-OG 3.47Å; M183-R191 HydrophobicContact CE-CB 4.44Å; M183-A192 VanDerWaalsContact SD-CA 3.56Å; M183-A192 HydrophobicContact SD-CB 3.6Å
184E90.8Very high92.8Very high206 Ų20654.7 Ų54.796%0.96326%0.259SS*.SBendtrans-68.8-32.4-179.1-65.2178.517700112.4
185Q90.8Very high92.8Very high142 Ų14257.5 Ų57.566%0.66427%0.27SS*.SBendtrans-136.8152.6-179.866.9-178.44.900110.7M183 S187M183-Q185 VanDerWaalsContact C-N 3.31Å; Q185-S187 PolarHBondContact O-N 3.42Å; Q185-S187 PolarHBondContact O-OG 3.37Å
186R89Confident92.9Very high68 Ų6849.5 Ų49.526%0.25723%0.232SC..  trans-65.5106.6176.4-173.5167.6-179.5-107.7-0.9110.1A157 T355 P357A157-R186 HydrophobicContact CB-CB 4.14Å; R186-T355 PolarHBondContact NH1-O 2.86Å; R186-T355 PolarHBondContact NH2-O 3.49Å; R186-P357 VanDerWaalsContact NH1-CD 3.34Å
187S87.1Confident92.9Very high15 Ų1549.5 Ų49.511%0.10523%0.233CC..  trans-110.7-17.3-170.3-61.40000112.7D156 M183 Q185 R191D156-S187 PolarHBondContact OD1-N 3.11Å; M183-S187 VanDerWaalsContact CE-CB 3.41Å; M183-S187 WeakPolarHBondContact CE-OG 3.47Å; Q185-S187 PolarHBondContact O-N 3.42Å; Q185-S187 PolarHBondContact O-OG 3.37Å; S187-R191 PolarHBondContact O-NH1 2.95Å
188G88Confident92.8Very high0 Ų049.5 Ų49.50%024%0.235CC..BIsolated β-bridgetrans103.4162.2179.100000114.5D156 I190 R191 A192D156-G188 PolarHBondContact OD1-N 3.45Å; D156-G188 WeakPolarHBondContact OD2-CA 3.07Å; D156-G188 PolarHBondContact OD2-N 3.42Å; G188-I190 PolarHBondContact O-N 3.29Å; G188-R191 PolarHBondContact O-N 3.47Å; G188-A192 WeakPolarHBondContact O-CB 3.45Å; G188-A192 PolarHBondContact O-N 3.12Å
189L89.2Confident92.6Very high31 Ų3150.3 Ų50.316%0.16224%0.238CC..Hα-helixtrans-52-45178.3177.664.2000111.7V123 A192 R193 I317V123-L189 HydrophobicContact CB-CD1 3.86Å; V123-L189 HydrophobicContact CG1-CD1 3.83Å; V123-L189 HydrophobicContact CG2-CD1 4.37Å; L189-A192 PolarHBondContact O-N 3.4Å; L189-R193 HydrophobicContact CD1-CG 4.28Å; L189-R193 WeakPolarHBondContact O-CB 3.48Å; L189-R193 WeakPolarHBondContact O-CG 3.48Å; L189-R193 PolarHBondContact O-N 2.86Å; L189-I317 WeakPolarHBondContact CB-O 3.38Å; L189-I317 PolarHBondContact N-O 2.86Å
190I90.3Very high92.2Very high1 Ų145.9 Ų45.91%0.00522%0.224CC..Hα-helixtrans-62.5-52.2-174.7-55.6172.6000110.6G188 R193 L194 Y311 M315 E321G188-I190 PolarHBondContact O-N 3.29Å; I190-R193 PolarHBondContact O-N 2.91Å; I190-L194 WeakPolarHBondContact O-CG 3.4Å; I190-L194 PolarHBondContact O-N 2.8Å; I190-Y311 HydrophobicContact CG2-CD1 4.45Å; I190-Y311 HydrophobicContact CG2-CG 3.98Å; I190-M315 HydrophobicContact CD1-CB 3.32Å; I190-M315 HydrophobicContact CD1-CG 4.33Å; I190-M315 HydrophobicContact CD1-SD 4.13Å; I190-E321 HydrophobicContact CD1-CB 3.68Å; I190-E321 HydrophobicContact CD1-CG 4.22Å; I190-E321 HydrophobicContact CG1-CB 3.89Å; I190-E321 HydrophobicContact CG1-CG 3.95Å
191R92.9Very high91.4Very high76 Ų7646.6 Ų46.629%0.28723%0.228SC..Hα-helixtrans-69.7-34.3-178.9-65.1-174.2-177.3110.61.5111.9M183 S187 G188 L194 K195 A313 M315 D316M183-R191 HydrophobicContact CE-CB 4.44Å; S187-R191 PolarHBondContact O-NH1 2.95Å; G188-R191 PolarHBondContact O-N 3.47Å; R191-L194 WeakPolarHBondContact O-CB 3.19Å; R191-L194 PolarHBondContact O-N 2.83Å; R191-K195 PolarHBondContact O-N 2.87Å; R191-A313 PolarHBondContact NE-O 3.2Å; R191-A313 VanDerWaalsContact NE-O 3.14Å; R191-A313 PolarHBondContact NH2-O 2.98Å; R191-M315 PolarHBondContact NH2-O 3.39Å; R191-D316 IonicContact CZ-OD1 2.88Å; R191-D316 VanDerWaalsContact CZ-OD1 3.28Å; R191-D316 IonicContact NH1-OD1 2.72Å; R191-D316 PolarHBondContact NH1-OD1 3.34Å; R191-D316 IonicContact NH2-OD1 2.66Å; R191-D316 PolarHBondContact NH2-OD1 2.91Å
192A94.4Very high90.2Very high0 Ų048.6 Ų48.60%025%0.254CS..Hα-helixtrans-64.5-41.3173.200000112.2V123 V154 D156 M183 G188 L189 L194 K195 G196V123-A192 HydrophobicContact CB-CB 4.31Å; V123-A192 HydrophobicContact CG1-CB 3.43Å; V123-A192 VanDerWaalsContact CG1-CB 3.43Å; V123-A192 HydrophobicContact CG2-CB 3.85Å; V154-A192 HydrophobicContact CG1-CB 3.93Å; D156-A192 HydrophobicContact CB-CB 4.15Å; M183-A192 VanDerWaalsContact SD-CA 3.56Å; M183-A192 HydrophobicContact SD-CB 3.6Å; G188-A192 WeakPolarHBondContact O-CB 3.45Å; G188-A192 PolarHBondContact O-N 3.12Å; L189-A192 PolarHBondContact O-N 3.4Å; A192-L194 PolarHBondContact O-N 2.78Å; A192-K195 WeakPolarHBondContact O-CB 3.42Å; A192-K195 PolarHBondContact O-N 2.89Å; A192-G196 PolarHBondContact O-N 2.76Å
193R94.9Very high89.3Confident2 Ų247.2 Ų47.21%0.00826%0.263CS..Hα-helixtrans-62.8-42.4173.4-76.1-176.7179.2176.4-6.4112.1V123 L189 I190 K195 G196 A197 F209 D211 G295 G296 Y311V123-R193 HydrophobicContact CG2-CB 4.4Å; V123-R193 HydrophobicContact CG2-CG 3.59Å; L189-R193 HydrophobicContact CD1-CG 4.28Å; L189-R193 WeakPolarHBondContact O-CB 3.48Å; L189-R193 WeakPolarHBondContact O-CG 3.48Å; L189-R193 PolarHBondContact O-N 2.86Å; I190-R193 PolarHBondContact O-N 2.91Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 3.04Å; R193-G196 PolarHBondContact O-N 2.79Å; R193-A197 WeakPolarHBondContact O-CB 3.29Å; R193-A197 PolarHBondContact O-N 2.82Å; R193-F209 HydrophobicContact CB-CD1 4.19Å; R193-F209 HydrophobicContact CB-CE1 3.76Å; R193-F209 HydrophobicContact CG-CD1 3.86Å; R193-F209 HydrophobicContact CG-CE1 3.97Å; R193-D211 IonicContact NH2-OD1 3.88Å; R193-D211 PolarHBondContact NH2-OD1 3.1Å; R193-D211 VanDerWaalsContact NH2-OD1 3.11Å; R193-G295 VanDerWaalsContact CZ-O 3.24Å; R193-G295 PolarHBondContact NH1-O 2.99Å; R193-G295 PolarHBondContact NH2-O 2.98Å; R193-G296 VanDerWaalsContact NH2-CA 3.3Å; R193-G296 PolarHBondContact NH2-O 3.3Å; R193-Y311 HydrophobicContact CB-CE2 4.35Å; R193-Y311 PolarHBondContact NH1-OH 3.13Å
194L93.6Very high88.9Confident32 Ų3245.7 Ų45.717%0.16826%0.255CS..Hα-helixtrans-59.5-43.3173.5-70.1176.1000111.7I190 R191 A192 A197 S198 F305 T310 Y311 A313I190-L194 WeakPolarHBondContact O-CG 3.4Å; I190-L194 PolarHBondContact O-N 2.8Å; R191-L194 WeakPolarHBondContact O-CB 3.19Å; R191-L194 PolarHBondContact O-N 2.83Å; A192-L194 PolarHBondContact O-N 2.78Å; L194-A197 PolarHBondContact O-N 3.11Å; L194-S198 WeakPolarHBondContact O-CB 3.5Å; L194-S198 PolarHBondContact O-N 3.25Å; L194-S198 PolarHBondContact O-OG 3.06Å; L194-F305 HydrophobicContact CD2-CE1 4.49Å; L194-F305 HydrophobicContact CD2-CZ 4.32Å; L194-T310 VanDerWaalsContact CD2-CB 3.44Å; L194-T310 HydrophobicContact CD2-CG2 4.35Å; L194-T310 VanDerWaalsContact CD2-OG1 3.27Å; L194-T310 WeakPolarHBondContact CD2-OG1 3.27Å; L194-Y311 HydrophobicContact CD2-CD2 4.4Å; L194-A313 HydrophobicContact CD1-CB 4.17Å
195K94.8Very high89.1Confident92 Ų9241.4 Ų41.440%0.424%0.235SC..Hα-helixtrans-59.5-50.6175.3-175.259.7173.9-178.40110.7V154 V181 R191 A192 R193 A197 S198 I199V154-K195 HydrophobicContact CG1-CB 4.5Å; V181-K195 HydrophobicContact CG1-CG 4.19Å; R191-K195 PolarHBondContact O-N 2.87Å; A192-K195 WeakPolarHBondContact O-CB 3.42Å; A192-K195 PolarHBondContact O-N 2.89Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 3.04Å; K195-A197 PolarHBondContact O-N 3.49Å; K195-S198 PolarHBondContact O-N 3.02Å; K195-S198 PolarHBondContact O-OG 3.02Å; K195-I199 HydrophobicContact CD-CG2 4.39Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 3.39Å
196G93.9Very high89.4Confident0 Ų034.6 Ų34.60%020%0.203CC..Hα-helixtrans-58.4-43.9177.800000113.4A192 R193 I199 S200A192-G196 PolarHBondContact O-N 2.76Å; R193-G196 PolarHBondContact O-N 2.79Å; G196-I199 VanDerWaalsContact O-CG1 3.28Å; G196-I199 WeakPolarHBondContact O-CG1 3.44Å; G196-I199 PolarHBondContact O-N 3.38Å; G196-S200 PolarHBondContact O-N 3.4Å; G196-S200 PolarHBondContact O-OG 2.92Å
197A92.9Very high89.8Confident9 Ų931.4 Ų31.47%0.07419%0.191CC..Hα-helixtrans-61.6-44.6175.400000112.1R193 L194 K195 I199 S200 I207 F209 F305R193-A197 WeakPolarHBondContact O-CB 3.29Å; R193-A197 PolarHBondContact O-N 2.82Å; L194-A197 PolarHBondContact O-N 3.11Å; K195-A197 PolarHBondContact O-N 3.49Å; A197-I199 VanDerWaalsContact C-N 3.26Å; A197-I199 PolarHBondContact O-N 3.27Å; A197-S200 PolarHBondContact O-N 2.86Å; A197-I207 HydrophobicContact CB-CD1 3.77Å; A197-F209 HydrophobicContact CB-CZ 4.18Å; A197-F305 HydrophobicContact CB-CD1 4.23Å; A197-F305 HydrophobicContact CB-CE1 3.74Å
198S92.2Very high90.4Very high81 Ų8130.8 Ų30.857%0.56619%0.187SC*.Hα-helixtrans-66.1-24-177.870.90000114.9L194 K195L194-S198 WeakPolarHBondContact O-CB 3.5Å; L194-S198 PolarHBondContact O-N 3.25Å; L194-S198 PolarHBondContact O-OG 3.06Å; K195-S198 PolarHBondContact O-N 3.02Å; K195-S198 PolarHBondContact O-OG 3.02Å
199I91.7Very high90.9Very high34 Ų3430.8 Ų30.817%0.17419%0.187CC..Hα-helixtrans-104.4-4.5-176.865.7175000113.8V152 R179 V181 K195 G196 A197V152-I199 HydrophobicContact CG1-CD1 3.56Å; V152-I199 HydrophobicContact CG1-CG1 3.97Å; R179-I199 PolarHBondContact NH1-O 3.37Å; R179-I199 VanDerWaalsContact NH1-O 3.12Å; V181-I199 HydrophobicContact CB-CD1 3.81Å; V181-I199 HydrophobicContact CG1-CD1 3.87Å; V181-I199 HydrophobicContact CG2-CD1 3.12Å; K195-I199 HydrophobicContact CD-CG2 4.39Å; K195-I199 WeakPolarHBondContact O-CG1 3.33Å; K195-I199 PolarHBondContact O-N 3.39Å; G196-I199 VanDerWaalsContact O-CG1 3.28Å; G196-I199 WeakPolarHBondContact O-CG1 3.44Å; G196-I199 PolarHBondContact O-N 3.38Å; A197-I199 VanDerWaalsContact C-N 3.26Å; A197-I199 PolarHBondContact O-N 3.27Å
200S87.1Confident91.3Very high12 Ų1229.5 Ų29.58%0.08418%0.18CC..SBendtrans-59.7136.2173.9-64.10000108.4G196 A197G196-S200 PolarHBondContact O-N 3.4Å; G196-S200 PolarHBondContact O-OG 2.92Å; A197-S200 PolarHBondContact O-N 2.86Å
201T80.6Confident91.6Very high46 Ų4630.6 Ų30.628%0.28219%0.186SC..  trans-62.2154.6-169.150.10000112.8E149 E150 G203 C204 R302E149-T201 WeakPolarHBondContact CG-OG1 3.44Å; E150-T201 VanDerWaalsContact OE1-CB 3.25Å; E150-T201 WeakPolarHBondContact OE1-CB 3.11Å; E150-T201 WeakPolarHBondContact OE1-CG2 3.5Å; E150-T201 PolarHBondContact OE1-N 2.95Å; E150-T201 PolarHBondContact OE1-OG1 3.42Å; E150-T201 WeakPolarHBondContact OE2-CG2 3.47Å; T201-G203 PolarHBondContact O-N 3.09Å; T201-G203 VanDerWaalsContact O-N 3.15Å; T201-C204 PolarHBondContact O-N 3.4Å; T201-C204 PolarHBondContact O-SG 3.38Å; T201-R302 PolarHBondContact O-NH1 2.66Å
202G71Confident91.8Very high66 Ų6627.1 Ų27.168%0.6817%0.173SC*.THydrogen-bonded Turntrans-56.2-29176.800000113.8R302G202-R302 VanDerWaalsContact CA-NH1 3.31Å; G202-R302 PolarHBondContact O-NH1 2.7Å
203G76.5Confident91.9Very high46 Ų4628.1 Ų28.147%0.47418%0.178SC..THydrogen-bonded Turntrans-73.6-19.7-176.500000115.6T201T201-G203 PolarHBondContact O-N 3.09Å; T201-G203 VanDerWaalsContact O-N 3.15Å
204C85.4Confident92.1Very high0 Ų028 Ų280%018%0.177CC..  trans-83.9134.3175.572.80000111.6S119 E149 T201 R302S119-C204 VanDerWaalsContact OG-CB 3.23Å; S119-C204 WeakPolarHBondContact OG-CB 3.19Å; S119-C204 PolarHBondContact OG-SG 3.12Å; E149-C204 HydrophobicContact CB-CB 4.3Å; E149-C204 HydrophobicContact CG-CB 4.44Å; T201-C204 PolarHBondContact O-N 3.4Å; T201-C204 PolarHBondContact O-SG 3.38Å; C204-R302 PolarHBondContact O-NH1 2.96Å
205Q94.6Very high92.3Very high116 Ų11626.7 Ų26.754%0.54217%0.17SC..SBendtrans-93-26.6172.5-66.9173.27.300111P116 R117 R302P116-Q205 HydrophobicContact CB-CB 3.82Å; P116-Q205 VanDerWaalsContact CB-OE1 3.3Å; R117-Q205 PolarHBondContact O-N 2.83Å; Q205-R302 WeakPolarHBondContact O-CB 3.41Å; Q205-R302 PolarHBondContact O-N 3.43Å
206V97.7Very high92.5Very high0 Ų022.3 Ų22.30%015%0.151CC..EExtended strand (participates in β ladder)trans-116.6143.3-178.6175.80000110.6P116 R117 T118 S119 L225 I228 I300P116-V206 HydrophobicContact CB-CG2 3.96Å; P116-V206 HydrophobicContact CG-CG2 3.87Å; R117-V206 PolarHBondContact O-N 2.85Å; R117-V206 VanDerWaalsContact O-N 3.16Å; T118-V206 VanDerWaalsContact CA-O 3.24Å; T118-V206 WeakPolarHBondContact CA-O 3.26Å; T118-V206 PolarHBondContact OG1-O 3.03Å; S119-V206 PolarHBondContact N-O 2.84Å; V206-L225 HydrophobicContact CB-CD2 3.87Å; V206-L225 HydrophobicContact CG1-CD2 3.72Å; V206-L225 HydrophobicContact CG2-CD2 3.97Å; V206-I228 HydrophobicContact CG1-CD1 3.63Å; V206-I228 HydrophobicContact CG2-CB 4.44Å; V206-I228 HydrophobicContact CG2-CD1 4.01Å; V206-I228 HydrophobicContact CG2-CG2 3.96Å; V206-I300 WeakPolarHBondContact CA-O 3.05Å
207I97.8Very high92.6Very high1 Ų122.4 Ų22.41%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-106.9127.5165.7-58.6168.1000107.6V121 A197 F209 S299 I300 R302 F305V121-I207 HydrophobicContact CB-CG2 4.45Å; V121-I207 HydrophobicContact CG2-CG2 3.77Å; A197-I207 HydrophobicContact CB-CD1 3.77Å; I207-F209 HydrophobicContact CB-CE2 4.27Å; I207-F209 HydrophobicContact CG2-CD2 4.06Å; I207-F209 HydrophobicContact CG2-CE1 4.04Å; I207-F209 HydrophobicContact CG2-CE2 3.56Å; I207-F209 HydrophobicContact CG2-CZ 3.56Å; I207-S299 WeakPolarHBondContact O-CA 3.15Å; I207-I300 HydrophobicContact CB-CG2 4.5Å; I207-I300 PolarHBondContact N-O 3.27Å; I207-I300 PolarHBondContact O-N 3.33Å; I207-R302 HydrophobicContact CD1-CB 4.15Å; I207-R302 HydrophobicContact CD1-CG 3.85Å; I207-R302 HydrophobicContact CG1-CB 4.19Å; I207-R302 HydrophobicContact CG1-CG 4.29Å; I207-F305 HydrophobicContact CD1-CD1 4.33Å
208T98.3Very high92.7Very high1 Ų125.9 Ų25.91%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-112.7115.8174.4-62.20000109.2T118 S119 V120 V121 L210 W220 S299T118-T208 WeakPolarHBondContact OG1-CB 3.4Å; T118-T208 PolarHBondContact OG1-N 3.27Å; T118-T208 PolarHBondContact OG1-OG1 3.35Å; S119-T208 PolarHBondContact O-N 3.01Å; V120-T208 CarbonylContact C-O 3.6Å; V120-T208 VanDerWaalsContact CA-O 3.27Å; V120-T208 WeakPolarHBondContact CA-O 3.47Å; V121-T208 PolarHBondContact N-O 3.26Å; T208-L210 HydrophobicContact CG2-CG 4.47Å; T208-W220 HydrophobicContact CG2-CH2 3.8Å; T208-W220 HydrophobicContact CG2-CZ3 3.93Å; T208-S299 WeakPolarHBondContact CB-OG 3.3Å; T208-S299 VanDerWaalsContact CG2-OG 3.3Å; T208-S299 WeakPolarHBondContact CG2-OG 3.5Å; T208-S299 WeakPolarHBondContact OG1-CB 3.44Å; T208-S299 PolarHBondContact OG1-OG 3.21Å
209F98.3Very high92.9Very high1 Ų122.4 Ų22.40%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-90.1133.8176-64.2-82.8000110.1V121 R193 A197 I207 L297 F298 I300 F305V121-F209 HydrophobicContact CB-CD1 3.83Å; V121-F209 HydrophobicContact CB-CE1 3.98Å; V121-F209 HydrophobicContact CG1-CD1 3.95Å; V121-F209 HydrophobicContact CG1-CE1 3.94Å; V121-F209 HydrophobicContact CG2-CE1 4.41Å; V121-F209 WeakPolarHBondContact O-CA 3.33Å; R193-F209 HydrophobicContact CB-CD1 4.19Å; R193-F209 HydrophobicContact CB-CE1 3.76Å; R193-F209 HydrophobicContact CG-CD1 3.86Å; R193-F209 HydrophobicContact CG-CE1 3.97Å; A197-F209 HydrophobicContact CB-CZ 4.18Å; I207-F209 HydrophobicContact CB-CE2 4.27Å; I207-F209 HydrophobicContact CG2-CD2 4.06Å; I207-F209 HydrophobicContact CG2-CE1 4.04Å; I207-F209 HydrophobicContact CG2-CE2 3.56Å; I207-F209 HydrophobicContact CG2-CZ 3.56Å; F209-L297 WeakPolarHBondContact O-CA 3.34Å; F209-F298 HydrophobicContact CB-CD1 4.16Å; F209-F298 HydrophobicContact CB-CE1 3.94Å; F209-F298 HydrophobicContact CB-CZ 4.45Å; F209-F298 HydrophobicContact CD2-CD1 4.21Å; F209-F298 HydrophobicContact CD2-CD2 4.15Å; F209-F298 AromaticContact CD2-CE1 3.57Å; F209-F298 HydrophobicContact CD2-CE1 3.57Å; F209-F298 AromaticContact CD2-CE2 3.53Å; F209-F298 HydrophobicContact CD2-CE2 3.53Å; F209-F298 HydrophobicContact CD2-CG 4.46Å; F209-F298 AromaticContact CD2-CZ 3.2Å; F209-F298 HydrophobicContact CD2-CZ 3.2Å; F209-F298 HydrophobicContact CE2-CE1 4.33Å; F209-F298 AromaticContact CE2-CE2 3.8Å; F209-F298 HydrophobicContact CE2-CE2 3.8Å; F209-F298 AromaticContact CE2-CZ 3.55Å; F209-F298 HydrophobicContact CE2-CZ 3.55Å; F209-F298 AromaticContact CG-CE1 3.94Å; F209-F298 HydrophobicContact CG-CE1 3.94Å; F209-F298 AromaticContact CG-CZ 3.99Å; F209-F298 HydrophobicContact CG-CZ 3.99Å; F209-F298 PolarHBondContact N-O 2.88Å; F209-F298 PolarHBondContact O-N 3.25Å; F209-I300 HydrophobicContact CE2-CG2 4.23Å; F209-F305 HydrophobicContact CZ-CE1 4.29Å; F209-F305 HydrophobicContact CZ-CZ 4.36Å
210L98.3Very high93.1Very high3 Ų320.8 Ų20.82%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-133.1147.9170.1-64.6177.1000109.5V120 V121 I122 V139 T208 W220 L297 V344V120-L210 HydrophobicContact CG1-CD1 3.79Å; V120-L210 HydrophobicContact CG1-CG 4.16Å; V121-L210 PolarHBondContact O-N 2.9Å; I122-L210 WeakPolarHBondContact CA-O 3.27Å; I122-L210 HydrophobicContact CG1-CB 4.24Å; V139-L210 HydrophobicContact CG2-CD1 3.51Å; T208-L210 HydrophobicContact CG2-CG 4.47Å; L210-W220 HydrophobicContact CD1-CH2 3.87Å; L210-W220 HydrophobicContact CD1-CZ3 4.38Å; L210-W220 HydrophobicContact CD2-CH2 4.41Å; L210-W220 HydrophobicContact CD2-CZ3 4.14Å; L210-W220 HydrophobicContact CG-CH2 4.44Å; L210-L297 HydrophobicContact CD2-CB 4.24Å; L210-L297 HydrophobicContact CD2-CD2 3.8Å; L210-L297 HydrophobicContact CD2-CG 3.9Å; L210-V344 HydrophobicContact CD2-CG1 4.3Å
211D96.9Very high93.7Very high25 Ų2520.2 Ų20.213%0.13414%0.137CC..EExtended strand (participates in β ladder)trans-77.5159168-65.7-23.5000110.5R193 H213 C214 G296 H346R193-D211 IonicContact NH2-OD1 3.88Å; R193-D211 PolarHBondContact NH2-OD1 3.1Å; R193-D211 VanDerWaalsContact NH2-OD1 3.11Å; D211-H213 PolarHBondContact O-N 2.87Å; D211-H213 VanDerWaalsContact O-N 3.09Å; D211-C214 PolarHBondContact O-SG 2.68Å; D211-C214 VanDerWaalsContact O-SG 3.42Å; D211-G296 VanDerWaalsContact OD2-CA 3.29Å; D211-G296 WeakPolarHBondContact OD2-CA 3.49Å; D211-H346 IonicContact OD2-CD2 3.4Å; D211-H346 IonicContact OD2-NE2 3.32Å
212A96.9Very high94.5Very high2 Ų220.1 Ų20.12%0.01713%0.133CC..THydrogen-bonded Turntrans-779.4-171.500000115.6I122 F124 E127 T131 L132 T135I122-A212 HydrophobicContact CG2-CB 3.81Å; F124-A212 HydrophobicContact CB-CB 3.67Å; E127-A212 HydrophobicContact CB-CB 4.39Å; E127-A212 HydrophobicContact CG-CB 3.83Å; T131-A212 CarbonylContact C-O 3.56Å; L132-A212 VanDerWaalsContact CA-O 3.32Å; L132-A212 WeakPolarHBondContact CA-O 3.46Å; L132-A212 HydrophobicContact CD1-CB 3.95Å; L132-A212 PolarHBondContact N-O 3.4Å; T135-A212 VanDerWaalsContact OG1-C 3.24Å; T135-A212 PolarHBondContact OG1-O 2.97Å; T135-A212 VanDerWaalsContact OG1-O 3.12Å
213H96.9Very high95.8Very high21 Ų2117.2 Ų17.210%0.09710%0.102CC..THydrogen-bonded Turntrans-140.953.9-177.640.4-91.2000109.5E127 T135 D211 H346 V347 R349E127-H213 IonicContact OE2-CE1 3.26Å; E127-H213 PolarHBondContact OE2-CE1 2.82Å; E127-H213 IonicContact OE2-CG 2.89Å; E127-H213 IonicContact OE2-ND1 2.76Å; E127-H213 PolarHBondContact OE2-ND1 3.46Å; T135-H213 PolarHBondContact OG1-N 3.06Å; D211-H213 PolarHBondContact O-N 2.87Å; D211-H213 VanDerWaalsContact O-N 3.09Å; H213-H346 AromaticContact CD2-CD2 3.89Å; H213-H346 AromaticContact CD2-NE2 3.46Å; H213-H346 PolarHBondContact CD2-NE2 3.22Å; H213-H346 AromaticContact NE2-CE1 3.96Å; H213-H346 AromaticContact NE2-NE2 3.31Å; H213-H346 PolarHBondContact NE2-NE2 3.29Å; H213-V347 HydrophobicContact CB-CB 4.23Å; H213-V347 HydrophobicContact CB-CG2 4.21Å; H213-V347 PolarHBondContact O-N 3.07Å; H213-V347 VanDerWaalsContact O-N 3.1Å; H213-R349 PolarHBondContact CE1-NH2 3.06Å; H213-R349 PolarHBondContact ND1-NH2 2.88Å
214C98.2Very high96.8Very high0 Ų015 Ų150%08%0.08CC..EExtended strand (participates in β ladder)trans-119.8157.2-179.6-680000111.3T135 D211 V344 G345T135-C214 WeakPolarHBondContact CA-O 3.04Å; T135-C214 WeakPolarHBondContact CB-O 3.3Å; T135-C214 HydrophobicContact CG2-CB 4Å; T135-C214 PolarHBondContact OG1-N 2.8Å; T135-C214 PolarHBondContact OG1-O 2.81Å; D211-C214 PolarHBondContact O-SG 2.68Å; D211-C214 VanDerWaalsContact O-SG 3.42Å; C214-V344 HydrophobicContact CB-CG1 3.93Å; C214-G345 CarbonylContact C-O 3.55Å; C214-G345 WeakPolarHBondContact CA-O 3.44Å; C214-G345 WeakPolarHBondContact CB-O 3.32Å
215E98.4Very high97.4Very high5 Ų515 Ų152%0.0238%0.08CC..EExtended strand (participates in β ladder)trans-136.2115.5168.9-58.4-179.3-13600109.3R96 L98 R134 I243 G345R96-E215 IonicContact CZ-OE1 2.7Å; R96-E215 IonicContact CZ-OE2 3.18Å; R96-E215 IonicContact NE-OE1 3.67Å; R96-E215 PolarHBondContact NE-OE1 3.15Å; R96-E215 IonicContact NE-OE2 3.02Å; R96-E215 PolarHBondContact NE-OE2 3Å; R96-E215 IonicContact NH2-OE1 2.69Å; R96-E215 PolarHBondContact NH2-OE1 3.17Å; R96-E215 IonicContact NH2-OE2 3.22Å; R96-E215 PolarHBondContact NH2-OE2 2.65Å; L98-E215 HydrophobicContact CD1-CB 3.83Å; R134-E215 WeakPolarHBondContact CD-OE1 3.17Å; R134-E215 HydrophobicContact CG-CG 4.03Å; E215-I243 HydrophobicContact CB-CD1 3.95Å; E215-I243 HydrophobicContact CG-CD1 3.8Å; E215-G345 PolarHBondContact N-O 3.01Å; E215-G345 PolarHBondContact O-N 3.01Å
216C98.2Very high97.5Very high0 Ų09.9 Ų9.90%06%0.057CC..EExtended strand (participates in β ladder)trans-73.8147.5179.7-57.80000110.7S138 R142 W220S138-C216 PolarHBondContact OG-N 3.4Å; S138-C216 PolarHBondContact OG-O 3.21Å; R142-C216 WeakPolarHBondContact CD-O 3.37Å; R142-C216 PolarHBondContact NE-O 3.34Å; R142-C216 PolarHBondContact NH1-O 3.15Å; C216-W220 HydrophobicContact CB-CD2 3.77Å; C216-W220 HydrophobicContact CB-CG 3.73Å; C216-W220 HydrophobicContact CB-CZ2 4.39Å; C216-W220 VanDerWaalsContact SG-CE2 3.6Å
217T96.8Very high97.5Very high1 Ų112.5 Ų12.51%0.0067%0.067CC..PPolyproline II helixtrans-94170.6174.159.60000112.1L98 V101 G219 W220 Y250 H343L98-T217 HydrophobicContact CD1-CG2 4.4Å; V101-T217 HydrophobicContact CG2-CG2 4.45Å; T217-G219 PolarHBondContact O-N 3.41Å; T217-W220 WeakPolarHBondContact O-CB 3.35Å; T217-W220 PolarHBondContact O-N 3.36Å; T217-Y250 HydrophobicContact CG2-CE1 4.43Å; T217-Y250 HydrophobicContact CG2-CE2 4.41Å; T217-Y250 WeakPolarHBondContact CG2-OH 3.28Å; T217-H343 HydrophobicContact CG2-CB 3.85Å; T217-H343 PolarHBondContact N-O 2.95Å; T217-H343 VanDerWaalsContact N-O 3.12Å; T217-H343 WeakPolarHBondContact OG1-CB 3.44Å; T217-H343 PolarHBondContact OG1-O 3.14Å
218T95.2Very high97.5Very high82 Ų8212.7 Ų12.750%0.5037%0.068SC..THydrogen-bonded Turntrans-62.2129.1173.6-590000110.7R102R102-T218 WeakPolarHBondContact CD-O 3.37Å; R102-T218 PolarHBondContact NE-O 3.46Å; R102-T218 PolarHBondContact NH1-O 2.88Å
219G95.2Very high97.4Very high8 Ų816.5 Ų16.58%0.0828%0.084CC..THydrogen-bonded Turntrans73.624.7178.200000114.1T217 E222 P223T217-G219 PolarHBondContact O-N 3.41Å; G219-E222 VanDerWaalsContact C-OE2 3.3Å; G219-E222 VanDerWaalsContact CA-OE2 3.29Å; G219-E222 WeakPolarHBondContact CA-OE2 3.29Å; G219-P223 WeakPolarHBondContact O-CD 3.2Å; G219-P223 VanDerWaalsContact O-CG 3.26Å; G219-P223 WeakPolarHBondContact O-CG 3.38Å
220W97.8Very high97.4Very high1 Ų123 Ų230%0.00412%0.115CC..  trans-72.9-29.5-179.777.5-72.6000113V139 R142 S143 T208 L210 C216 T217 L224 S342 V344V139-W220 HydrophobicContact CG1-CZ2 4.49Å; V139-W220 HydrophobicContact CG2-CZ2 4.44Å; R142-W220 PolarHBondContact O-NE1 3.15Å; S143-W220 PolarHBondContact OG-NE1 3.19Å; S143-W220 VanDerWaalsContact OG-NE1 3.15Å; T208-W220 HydrophobicContact CG2-CH2 3.8Å; T208-W220 HydrophobicContact CG2-CZ3 3.93Å; L210-W220 HydrophobicContact CD1-CH2 3.87Å; L210-W220 HydrophobicContact CD1-CZ3 4.38Å; L210-W220 HydrophobicContact CD2-CH2 4.41Å; L210-W220 HydrophobicContact CD2-CZ3 4.14Å; L210-W220 HydrophobicContact CG-CH2 4.44Å; C216-W220 HydrophobicContact CB-CD2 3.77Å; C216-W220 HydrophobicContact CB-CG 3.73Å; C216-W220 HydrophobicContact CB-CZ2 4.39Å; C216-W220 VanDerWaalsContact SG-CE2 3.6Å; T217-W220 WeakPolarHBondContact O-CB 3.35Å; T217-W220 PolarHBondContact O-N 3.36Å; W220-L224 HydrophobicContact CE3-CD1 3.91Å; W220-L224 HydrophobicContact CZ3-CD1 4.02Å; W220-L224 WeakPolarHBondContact O-CG 3.34Å; W220-S342 VanDerWaalsContact O-CB 3.22Å; W220-S342 WeakPolarHBondContact O-CB 3.3Å; W220-S342 PolarHBondContact O-OG 3.25Å; W220-V344 HydrophobicContact CB-CG2 4.49Å; W220-V344 HydrophobicContact CD2-CG2 4.19Å; W220-V344 HydrophobicContact CE3-CG2 3.52Å; W220-V344 HydrophobicContact CZ3-CG2 4.13Å
221L98Very high97.3Very high0 Ų026.1 Ų26.10%013%0.131CC..Hα-helixtrans-91.3-44.4-164.5-179.158.8000112.7T118 L147 P223 L224 L225T118-L221 HydrophobicContact CG2-CD1 3.91Å; T118-L221 HydrophobicContact CG2-CD2 3.95Å; L147-L221 HydrophobicContact CB-CD2 4.18Å; L221-P223 VanDerWaalsContact C-CD 3.42Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 3.18Å; L221-L224 VanDerWaalsContact O-N 3.08Å; L221-L225 HydrophobicContact CD1-CD1 3.81Å; L221-L225 HydrophobicContact CD1-CD2 4.2Å; L221-L225 HydrophobicContact CD1-CG 3.83Å; L221-L225 HydrophobicContact CD2-CD1 4.04Å; L221-L225 HydrophobicContact CG-CD1 3.59Å; L221-L225 HydrophobicContact CG-CG 4.05Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.25Å; L221-L225 VanDerWaalsContact O-N 3.08Å
222E97.6Very high97.3Very high44 Ų4430 Ų3021%0.20615%0.147CC..Hα-helixtrans-54.7-44.4-177.9-51.991.9135.800113Y111 L115 P144 L147 G219 L224 L225 A226Y111-E222 HydrophobicContact CD2-CB 3.76Å; Y111-E222 HydrophobicContact CE2-CB 4.27Å; Y111-E222 HydrophobicContact CG-CB 4.11Å; L115-E222 HydrophobicContact CD1-CB 4Å; L115-E222 HydrophobicContact CD1-CG 4.44Å; P144-E222 HydrophobicContact CG-CG 4.11Å; P144-E222 WeakPolarHBondContact CG-OE1 3.32Å; L147-E222 HydrophobicContact CD1-CG 4.01Å; G219-E222 VanDerWaalsContact C-OE2 3.3Å; G219-E222 VanDerWaalsContact CA-OE2 3.29Å; G219-E222 WeakPolarHBondContact CA-OE2 3.29Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 3.1Å; E222-L225 PolarHBondContact O-N 2.86Å; E222-A226 WeakPolarHBondContact O-CB 3.41Å; E222-A226 PolarHBondContact O-N 3.07Å
223P97.8Very high97.3Very high4 Ų433 Ų333%0.02616%0.16CC..Hα-helixtrans-62.2-36.6177.1-17.128.7000113.1Y111 G219 L221 R227 V339 C341Y111-P223 HydrophobicContact CE1-CB 4.12Å; Y111-P223 HydrophobicContact CE1-CG 4.41Å; Y111-P223 HydrophobicContact CE2-CG 4.02Å; Y111-P223 WeakPolarHBondContact OH-CB 3.46Å; Y111-P223 WeakPolarHBondContact OH-CG 3.47Å; G219-P223 WeakPolarHBondContact O-CD 3.2Å; G219-P223 VanDerWaalsContact O-CG 3.26Å; G219-P223 WeakPolarHBondContact O-CG 3.38Å; L221-P223 VanDerWaalsContact C-CD 3.42Å; P223-R227 PolarHBondContact O-N 3.39Å; P223-V339 HydrophobicContact CB-CG1 3.52Å; P223-C341 HydrophobicContact CB-CB 4.14Å; P223-C341 HydrophobicContact CG-CB 4.05Å
224L98.3Very high97.4Very high1 Ų132 Ų321%0.00516%0.155CC..Hα-helixtrans-67.9-51179.5-60.3174.2000110.2W220 L221 E222 A226 R227 I228 V236 V339 S342W220-L224 HydrophobicContact CE3-CD1 3.91Å; W220-L224 HydrophobicContact CZ3-CD1 4.02Å; W220-L224 WeakPolarHBondContact O-CG 3.34Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 3.18Å; L221-L224 VanDerWaalsContact O-N 3.08Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 3.1Å; L224-A226 PolarHBondContact O-N 3.39Å; L224-R227 PolarHBondContact O-N 3.33Å; L224-I228 PolarHBondContact O-N 3.47Å; L224-V236 HydrophobicContact CB-CG2 3.87Å; L224-V236 HydrophobicContact CD2-CB 4.09Å; L224-V236 HydrophobicContact CD2-CG2 3.82Å; L224-V236 HydrophobicContact CG-CG2 4.44Å; L224-V339 HydrophobicContact CD2-CB 3.88Å; L224-V339 HydrophobicContact CD2-CG2 3.97Å; L224-S342 WeakPolarHBondContact CD1-OG 3.34Å; L224-S342 WeakPolarHBondContact CG-OG 3.42Å
225L98.1Very high97.4Very high0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-66.6-38.5-178.5-61178.8000112.2L115 P116 T118 L147 V206 L221 E222 R227 I228 K229L115-L225 HydrophobicContact CB-CB 4.34Å; L115-L225 HydrophobicContact CD1-CB 4.32Å; P116-L225 HydrophobicContact CG-CB 4.1Å; P116-L225 HydrophobicContact CG-CD2 4.43Å; P116-L225 WeakPolarHBondContact O-CD1 3.43Å; T118-L225 HydrophobicContact CG2-CD1 4.5Å; T118-L225 HydrophobicContact CG2-CD2 4.48Å; L147-L225 HydrophobicContact CB-CD1 4Å; L147-L225 HydrophobicContact CD1-CD1 4.01Å; L147-L225 HydrophobicContact CG-CD1 4.45Å; V206-L225 HydrophobicContact CB-CD2 3.87Å; V206-L225 HydrophobicContact CG1-CD2 3.72Å; V206-L225 HydrophobicContact CG2-CD2 3.97Å; L221-L225 HydrophobicContact CD1-CD1 3.81Å; L221-L225 HydrophobicContact CD1-CD2 4.2Å; L221-L225 HydrophobicContact CD1-CG 3.83Å; L221-L225 HydrophobicContact CD2-CD1 4.04Å; L221-L225 HydrophobicContact CG-CD1 3.59Å; L221-L225 HydrophobicContact CG-CG 4.05Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.25Å; L221-L225 VanDerWaalsContact O-N 3.08Å; E222-L225 PolarHBondContact O-N 2.86Å; L225-R227 PolarHBondContact O-N 3.03Å; L225-I228 PolarHBondContact O-N 2.99Å; L225-K229 WeakPolarHBondContact O-CB 3.41Å; L225-K229 PolarHBondContact O-N 3.44Å
226A97.5Very high97.4Very high8 Ų831.8 Ų31.87%0.06615%0.154CC..Hα-helixtrans-60.5-36.5175.400000111.9Y111 L115 E222 L224 Q230Y111-A226 HydrophobicContact CD1-CB 3.51Å; Y111-A226 HydrophobicContact CE1-CB 4.13Å; Y111-A226 HydrophobicContact CG-CB 4.37Å; L115-A226 HydrophobicContact CD2-CB 3.84Å; E222-A226 WeakPolarHBondContact O-CB 3.41Å; E222-A226 PolarHBondContact O-N 3.07Å; L224-A226 PolarHBondContact O-N 3.39Å; A226-Q230 WeakPolarHBondContact O-CG 3.15Å; A226-Q230 PolarHBondContact O-N 2.86Å
227R97.4Very high97.4Very high55 Ų5532.1 Ų32.121%0.20816%0.157CC..Hα-helixtrans-72.9-43.9179.9-173.555.9176.3147.711.4112.4P223 L224 L225 K229 Q230 D231 T234 V236 E337 V339P223-R227 PolarHBondContact O-N 3.39Å; L224-R227 PolarHBondContact O-N 3.33Å; L225-R227 PolarHBondContact O-N 3.03Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 3.37Å; R227-Q230 WeakPolarHBondContact O-CB 3.39Å; R227-Q230 PolarHBondContact O-N 3.47Å; R227-Q230 VanDerWaalsContact O-N 3.16Å; R227-D231 PolarHBondContact O-N 3.41Å; R227-T234 HydrophobicContact CG-CG2 4.01Å; R227-V236 HydrophobicContact CB-CG1 3.85Å; R227-V236 HydrophobicContact CG-CG1 3.56Å; R227-E337 IonicContact CZ-OE1 3.25Å; R227-E337 IonicContact CZ-OE2 2.94Å; R227-E337 IonicContact NE-OE1 2.62Å; R227-E337 IonicContact NE-OE2 3.01Å; R227-E337 PolarHBondContact NE-OE2 3.26Å; R227-E337 VanDerWaalsContact NH2-CD 3.33Å; R227-E337 IonicContact NH2-OE1 3.98Å; R227-E337 PolarHBondContact NH2-OE1 2.72Å; R227-E337 IonicContact NH2-OE2 3.92Å; R227-E337 PolarHBondContact NH2-OE2 2.74Å; R227-E337 VanDerWaalsContact NH2-OE2 3.16Å; R227-V339 HydrophobicContact CB-CG2 4.35Å; R227-V339 HydrophobicContact CG-CG2 4.47Å
228I97.9Very high97.5Very high4 Ų432.3 Ų32.32%0.02116%0.157CC..Hα-helixtrans-62.4-36.9174.6-62.9169.3000111V206 L224 L225 Q230 D231 K232 V236 D301V206-I228 HydrophobicContact CG1-CD1 3.63Å; V206-I228 HydrophobicContact CG2-CB 4.44Å; V206-I228 HydrophobicContact CG2-CD1 4.01Å; V206-I228 HydrophobicContact CG2-CG2 3.96Å; L224-I228 PolarHBondContact O-N 3.47Å; L225-I228 PolarHBondContact O-N 2.99Å; I228-Q230 VanDerWaalsContact C-N 3.26Å; I228-Q230 PolarHBondContact O-N 3.17Å; I228-D231 CarbonylContact O-C 2.99Å; I228-D231 PolarHBondContact O-N 2.74Å; I228-D231 VanDerWaalsContact O-O 3.04Å; I228-K232 WeakPolarHBondContact O-CA 3.46Å; I228-K232 PolarHBondContact O-N 3.15Å; I228-V236 HydrophobicContact CD1-CG2 3.8Å; I228-V236 HydrophobicContact CG1-CG1 4.48Å; I228-V236 HydrophobicContact CG1-CG2 3.8Å; I228-D301 HydrophobicContact CG2-CB 3.88Å
229K96.6Very high97.6Very high81 Ų8128.8 Ų28.835%0.35214%0.135SC..Hα-helixtrans-61.7-34.1176.4-177.9177.5175178.40113.1N114 L115 P116 L225 R227N114-K229 PolarHBondContact ND2-NZ 3.17Å; N114-K229 VanDerWaalsContact ND2-NZ 3.19Å; N114-K229 PolarHBondContact O-NZ 3.34Å; N114-K229 PolarHBondContact OD1-NZ 2.75Å; L115-K229 HydrophobicContact CD2-CD 4.12Å; P116-K229 HydrophobicContact CG-CB 4.43Å; L225-K229 WeakPolarHBondContact O-CB 3.41Å; L225-K229 PolarHBondContact O-N 3.44Å; R227-K229 VanDerWaalsContact C-N 3.26Å; R227-K229 PolarHBondContact O-N 3.37Å
230Q96.4Very high97.7Very high138 Ų13829.3 Ų29.365%0.64514%0.136SC*.Hα-helixtrans-69.4-39.3177.7-70.9169.97.400111.7A226 R227 I228A226-Q230 WeakPolarHBondContact O-CG 3.15Å; A226-Q230 PolarHBondContact O-N 2.86Å; R227-Q230 WeakPolarHBondContact O-CB 3.39Å; R227-Q230 PolarHBondContact O-N 3.47Å; R227-Q230 VanDerWaalsContact O-N 3.16Å; I228-Q230 VanDerWaalsContact C-N 3.26Å; I228-Q230 PolarHBondContact O-N 3.17Å
231D97.1Very high97.6Very high68 Ų6829.3 Ų29.336%0.36414%0.136SC..  trans-148.1111.8175.4-178.6-1.7000109.8R227 I228 K233 T234R227-D231 PolarHBondContact O-N 3.41Å; I228-D231 CarbonylContact O-C 2.99Å; I228-D231 PolarHBondContact O-N 2.74Å; I228-D231 VanDerWaalsContact O-O 3.04Å; D231-K233 PolarHBondContact O-N 2.66Å; D231-K233 VanDerWaalsContact O-N 3.11Å; D231-K233 WeakPolarHBondContact OD1-CB 3.22Å; D231-K233 PolarHBondContact OD1-N 2.69Å; D231-T234 WeakPolarHBondContact O-CB 3.45Å; D231-T234 PolarHBondContact O-N 3.35Å; D231-T234 PolarHBondContact O-OG1 3.01Å
232K96.5Very high97.5Very high106 Ų10631.9 Ų31.946%0.46115%0.152SC..THydrogen-bonded Turntrans-61.3-20.3-179.268.3172.9-171.7163.60113.3I228 T234 D301 Y304I228-K232 WeakPolarHBondContact O-CA 3.46Å; I228-K232 PolarHBondContact O-N 3.15Å; K232-T234 VanDerWaalsContact C-N 3.29Å; K232-D301 HydrophobicContact CB-CB 4.22Å; K232-D301 WeakPolarHBondContact O-CB 3.4Å; K232-Y304 WeakPolarHBondContact O-CD1 3.29Å
233K97.9Very high97.5Very high67 Ų6729.9 Ų29.929%0.29114%0.143SC..THydrogen-bonded Turntrans-86.6-0.2177.4-59-164.8171.1-163.80112.8D231 Y304 E307 G334 T335D231-K233 PolarHBondContact O-N 2.66Å; D231-K233 VanDerWaalsContact O-N 3.11Å; D231-K233 WeakPolarHBondContact OD1-CB 3.22Å; D231-K233 PolarHBondContact OD1-N 2.69Å; K233-Y304 HydrophobicContact CB-CD2 4.34Å; K233-Y304 HydrophobicContact CB-CE1 4.29Å; K233-Y304 HydrophobicContact CB-CE2 3.93Å; K233-Y304 HydrophobicContact CD-CE2 4.04Å; K233-Y304 HydrophobicContact CG-CD2 3.87Å; K233-Y304 HydrophobicContact CG-CE2 3.7Å; K233-Y304 WeakPolarHBondContact O-CE1 3.33Å; K233-E307 IonicContact NZ-OE1 2.76Å; K233-G334 VanDerWaalsContact O-CA 3.29Å; K233-G334 WeakPolarHBondContact O-CA 3.38Å; K233-T335 PolarHBondContact O-N 3.13Å; K233-T335 VanDerWaalsContact O-N 3.13Å
234T98.1Very high97.5Very high0 Ų030.6 Ų30.60%015%0.148CC..EExtended strand (participates in β ladder)trans-86.7121.9172.7-57.10000110.6R227 D231 K232 V236 T335 E337R227-T234 HydrophobicContact CG-CG2 4.01Å; D231-T234 WeakPolarHBondContact O-CB 3.45Å; D231-T234 PolarHBondContact O-N 3.35Å; D231-T234 PolarHBondContact O-OG1 3.01Å; K232-T234 VanDerWaalsContact C-N 3.29Å; T234-V236 HydrophobicContact CG2-CG1 3.77Å; T234-T335 CarbonylContact C-O 3.52Å; T234-T335 WeakPolarHBondContact CA-O 3.38Å; T234-T335 WeakPolarHBondContact CA-OG1 3.48Å; T234-T335 WeakPolarHBondContact CB-OG1 3.44Å; T234-T335 WeakPolarHBondContact CG2-OG1 3.04Å; T234-T335 PolarHBondContact OG1-OG1 2.92Å; T234-E337 HydrophobicContact CG2-CB 4.45Å; T234-E337 HydrophobicContact CG2-CG 4.09Å
235V98.6Very high97.3Very high0 Ų031.4 Ų31.40%015%0.152CC..EExtended strand (participates in β ladder)trans-96.6132.8170.1-174.90000108M293 F298 I300 Y304 I329 T335 L336 E337V235-M293 HydrophobicContact CG1-CE 4.12Å; V235-F298 HydrophobicContact CG1-CB 4.5Å; V235-F298 HydrophobicContact CG1-CD2 3.78Å; V235-I300 HydrophobicContact CG1-CB 4.3Å; V235-I300 HydrophobicContact CG1-CD1 4.38Å; V235-I300 HydrophobicContact CG2-CB 4.47Å; V235-I300 HydrophobicContact CG2-CD1 3.52Å; V235-I300 HydrophobicContact CG2-CG1 3.83Å; V235-Y304 HydrophobicContact CG2-CD1 4.41Å; V235-Y304 HydrophobicContact CG2-CE1 4Å; V235-I329 HydrophobicContact CB-CD1 3.9Å; V235-I329 HydrophobicContact CG1-CD1 4.05Å; V235-I329 HydrophobicContact CG2-CD1 3.54Å; V235-I329 HydrophobicContact CG2-CG1 3.9Å; V235-I329 HydrophobicContact CG2-CG2 4.11Å; V235-T335 PolarHBondContact N-O 3.34Å; V235-L336 HydrophobicContact CB-CD1 3.87Å; V235-L336 HydrophobicContact CG1-CD1 3.86Å; V235-L336 WeakPolarHBondContact O-CA 3.49Å; V235-E337 PolarHBondContact O-N 2.79Å
236V98.4Very high97Very high0 Ų035.1 Ų35.10%017%0.172CC..EExtended strand (participates in β ladder)trans-124138.4-172.3-64.60000112.5L224 R227 I228 T234 F298 S299 E337 V339L224-V236 HydrophobicContact CB-CG2 3.87Å; L224-V236 HydrophobicContact CD2-CB 4.09Å; L224-V236 HydrophobicContact CD2-CG2 3.82Å; L224-V236 HydrophobicContact CG-CG2 4.44Å; R227-V236 HydrophobicContact CB-CG1 3.85Å; R227-V236 HydrophobicContact CG-CG1 3.56Å; I228-V236 HydrophobicContact CD1-CG2 3.8Å; I228-V236 HydrophobicContact CG1-CG1 4.48Å; I228-V236 HydrophobicContact CG1-CG2 3.8Å; T234-V236 HydrophobicContact CG2-CG1 3.77Å; V236-F298 CarbonylContact O-C 3.59Å; V236-F298 VanDerWaalsContact O-CA 3.23Å; V236-F298 WeakPolarHBondContact O-CA 3.41Å; V236-F298 WeakPolarHBondContact O-CB 3.38Å; V236-S299 PolarHBondContact N-O 3.34Å; V236-S299 PolarHBondContact O-N 2.78Å; V236-E337 CarbonylContact C-O 3.6Å; V236-E337 WeakPolarHBondContact CA-O 3.32Å; V236-V339 HydrophobicContact CB-CG2 3.79Å; V236-V339 HydrophobicContact CG1-CG2 3.8Å
237C98.3Very high96.9Very high7 Ų736.3 Ų36.35%0.04718%0.178CC..EExtended strand (participates in β ladder)trans-113.9145.1172.9-640000109.7L297 E337 I338 V339C237-L297 PolarHBondContact SG-O 3.13Å; C237-E337 PolarHBondContact N-O 3.21Å; C237-I338 HydrophobicContact CB-CG1 4.4Å; C237-I338 CarbonylContact O-C 3.54Å; C237-I338 WeakPolarHBondContact O-CA 3Å; C237-V339 PolarHBondContact O-N 3.05Å
238P98.1Very high96.8Very high4 Ų433.7 Ų33.73%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-70.5164.9163.833.3-35.5000110.4I240 L297 S342 V344P238-I240 PolarHBondContact O-N 3.42Å; P238-L297 HydrophobicContact CG-CB 3.97Å; P238-L297 HydrophobicContact CG-CD2 4.24Å; P238-S342 CarbonylContact C-O 3.53Å; P238-S342 WeakPolarHBondContact CA-O 3.49Å; P238-S342 WeakPolarHBondContact CB-OG 3.3Å; P238-V344 HydrophobicContact CB-CB 4.34Å; P238-V344 HydrophobicContact CB-CG2 3.84Å; P238-V344 HydrophobicContact CG-CB 4.13Å; P238-V344 HydrophobicContact CG-CG2 3.83Å
239I97.3Very high96.8Very high8 Ų837 Ų374%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-64.4128.1155.8-64.3177.5000107.2D241 D255 I338 T340 S342 H343 V344I239-D241 WeakPolarHBondContact CG2-OD1 3.42Å; I239-D255 HydrophobicContact CD1-CB 3.65Å; I239-I338 HydrophobicContact CG1-CG2 3.8Å; I239-T340 HydrophobicContact CD1-CG2 4.31Å; I239-S342 PolarHBondContact N-O 3.2Å; I239-H343 WeakPolarHBondContact O-CA 3.37Å; I239-V344 PolarHBondContact O-N 3.42Å
240I97.1Very high96.8Very high20 Ų2033.8 Ų33.810%0.10317%0.17CC..EExtended strand (participates in β ladder)trans-92.4108.3178.2-56.1174.1000107.8P238 W269 A294 L297 V344 H346 F348P238-I240 PolarHBondContact O-N 3.42Å; I240-W269 HydrophobicContact CD1-CH2 4.46Å; I240-W269 HydrophobicContact CD1-CZ2 4.29Å; I240-A294 HydrophobicContact CD1-CB 3.79Å; I240-L297 HydrophobicContact CD1-CD1 4.22Å; I240-V344 WeakPolarHBondContact CA-O 3.25Å; I240-H346 HydrophobicContact CG2-CB 3.61Å; I240-F348 HydrophobicContact CG2-CE2 3.91Å; I240-F348 HydrophobicContact CG2-CZ 3.67Å
241D97.1Very high96.8Very high0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-83.5157.4176.1-64.9-16.3000110V101 I239 Y250 M251 G253 H343 V344 G345 H346V101-D241 WeakPolarHBondContact CG2-OD2 3.28Å; I239-D241 WeakPolarHBondContact CG2-OD1 3.42Å; D241-Y250 HydrophobicContact CB-CE1 3.89Å; D241-Y250 HydrophobicContact CB-CE2 4.27Å; D241-Y250 VanDerWaalsContact CB-OH 3.32Å; D241-Y250 WeakPolarHBondContact CB-OH 3.41Å; D241-Y250 VanDerWaalsContact CG-OH 3.27Å; D241-Y250 VanDerWaalsContact OD2-CE1 3.32Å; D241-Y250 WeakPolarHBondContact OD2-CE1 3.41Å; D241-Y250 PolarHBondContact OD2-OH 3Å; D241-M251 WeakPolarHBondContact CB-O 3.48Å; D241-G253 WeakPolarHBondContact OD1-CA 3.28Å; D241-G253 PolarHBondContact OD1-N 2.97Å; D241-H343 IonicContact OD1-CE1 3.16Å; D241-H343 IonicContact OD1-ND1 3.28Å; D241-H343 PolarHBondContact OD1-ND1 3.25Å; D241-H343 WeakPolarHBondContact OD2-CB 3.4Å; D241-H343 IonicContact OD2-CG 2.66Å; D241-H343 IonicContact OD2-ND1 3.95Å; D241-H343 PolarHBondContact OD2-ND1 2.61Å; D241-V344 PolarHBondContact N-O 2.87Å; D241-G345 CarbonylContact O-C 3.48Å; D241-G345 WeakPolarHBondContact O-CA 3.42Å; D241-H346 PolarHBondContact O-N 3.27Å
242V96.4Very high96.6Very high55 Ų5530.4 Ų30.433%0.33316%0.163SC..EExtended strand (participates in β ladder)trans-96121.1-176.5-178.40000109.4M251 F348V242-M251 HydrophobicContact CB-CB 4.31Å; V242-M251 HydrophobicContact CB-CE 4.08Å; V242-M251 HydrophobicContact CG1-CE 3.58Å; V242-M251 PolarHBondContact N-O 3.5Å; V242-M251 PolarHBondContact O-N 3.05Å; V242-F348 HydrophobicContact CB-CD2 4.21Å; V242-F348 HydrophobicContact CB-CE2 4.42Å; V242-F348 HydrophobicContact CG1-CD2 3.95Å; V242-F348 HydrophobicContact CG2-CD2 3.97Å; V242-F348 HydrophobicContact CG2-CE2 3.89Å
243I97.5Very high96.2Very high1 Ų126.4 Ų26.41%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-96.4119.6162.5-58170.2000107.1E215 D245 F248 E249 Y250 H346 V347E215-I243 HydrophobicContact CB-CD1 3.95Å; E215-I243 HydrophobicContact CG-CD1 3.8Å; I243-D245 PolarHBondContact O-N 3.27Å; I243-F248 HydrophobicContact CG2-CB 4.46Å; I243-F248 HydrophobicContact CG2-CD1 3.91Å; I243-F248 HydrophobicContact CG2-CE1 4.46Å; I243-F248 HydrophobicContact CG2-CG 4.34Å; I243-E249 WeakPolarHBondContact CA-O 3.12Å; I243-Y250 HydrophobicContact CG1-CD2 4.05Å; I243-Y250 HydrophobicContact CG1-CE2 4.49Å; I243-H346 PolarHBondContact N-O 2.87Å; I243-V347 HydrophobicContact CB-CG2 3.88Å; I243-V347 HydrophobicContact CD1-CG2 4.34Å; I243-V347 HydrophobicContact CG2-CG2 3.8Å
244S96.1Very high95.8Very high19 Ų1925.9 Ų25.913%0.13316%0.157CC..PPolyproline II helixtrans-57.5128.6-178.9175.10000111.3D246 T247 F248 E249S244-D246 PolarHBondContact O-N 3.03Å; S244-D246 PolarHBondContact OG-N 3.11Å; S244-T247 VanDerWaalsContact CB-OG1 3.29Å; S244-T247 WeakPolarHBondContact CB-OG1 3.12Å; S244-T247 PolarHBondContact OG-N 2.99Å; S244-T247 VanDerWaalsContact OG-N 3.11Å; S244-T247 PolarHBondContact OG-OG1 2.89Å; S244-T247 VanDerWaalsContact OG-OG1 3.06Å; S244-F248 VanDerWaalsContact O-CA 3.3Å; S244-F248 WeakPolarHBondContact O-CA 3.44Å; S244-F248 PolarHBondContact O-N 3.38Å; S244-E249 PolarHBondContact N-O 2.96Å
245D94.1Very high95.3Very high18 Ų1826.7 Ų26.710%0.09616%0.161CC..THydrogen-bonded Turntrans-68.1-17.8174.564.4-34.5000112.6F84 N85 I243 V347 F348F84-D245 CarbonylContact C-O 3.48Å; F84-D245 WeakPolarHBondContact CA-O 3.42Å; F84-D245 HydrophobicContact CB-CB 3.99Å; N85-D245 WeakPolarHBondContact CB-O 3.4Å; N85-D245 PolarHBondContact N-O 3.41Å; I243-D245 PolarHBondContact O-N 3.27Å; D245-V347 HydrophobicContact CB-CG1 4.46Å; D245-F348 WeakPolarHBondContact CB-O 3.36Å
246D93Very high94.9Very high78 Ų7829.5 Ų29.542%0.41718%0.175SC..THydrogen-bonded Turntrans-98-48.6-179.4-169.621.3000112.6N85 S244N85-D246 WeakPolarHBondContact CB-O 3.1Å; N85-D246 PolarHBondContact ND2-O 3.21Å; S244-D246 PolarHBondContact O-N 3.03Å; S244-D246 PolarHBondContact OG-N 3.11Å
247T94.5Very high94.7Very high33 Ų3331.5 Ų31.520%0.20219%0.187CC..THydrogen-bonded Turntrans-109.3-9.5-171.159.70000114.3P64 V65 S244 E249P64-T247 HydrophobicContact CB-CG2 4.37Å; V65-T247 PolarHBondContact N-O 3.47Å; S244-T247 VanDerWaalsContact CB-OG1 3.29Å; S244-T247 WeakPolarHBondContact CB-OG1 3.12Å; S244-T247 PolarHBondContact OG-N 2.99Å; S244-T247 VanDerWaalsContact OG-N 3.11Å; S244-T247 PolarHBondContact OG-OG1 2.89Å; S244-T247 VanDerWaalsContact OG-OG1 3.06Å; T247-E249 PolarHBondContact O-N 3.47Å; T247-E249 VanDerWaalsContact O-N 3.15Å; T247-E249 WeakPolarHBondContact OG1-CB 3.42Å; T247-E249 PolarHBondContact OG1-N 3.2Å
248F96.4Very high94.4Very high1 Ų131.5 Ų31.50%0.00419%0.186CC..  trans57.218.3-170.5-86.8-103.1000114.9F84 N85 A88 S89 I92 R96 T131 I243 S244 V347F84-F248 AromaticContact CD2-CE2 3.86Å; F84-F248 HydrophobicContact CD2-CE2 3.86Å; F84-F248 AromaticContact CD2-CZ 3.71Å; F84-F248 HydrophobicContact CD2-CZ 3.71Å; F84-F248 HydrophobicContact CE2-CZ 4.06Å; F84-F248 HydrophobicContact CG-CZ 4.45Å; N85-F248 VanDerWaalsContact O-CE2 3.27Å; N85-F248 WeakPolarHBondContact O-CE2 3.44Å; A88-F248 HydrophobicContact CB-CD2 4.06Å; S89-F248 VanDerWaalsContact CB-CZ 3.47Å; I92-F248 HydrophobicContact CD1-CB 3.34Å; I92-F248 HydrophobicContact CD1-CD1 4.03Å; I92-F248 HydrophobicContact CD1-CG 3.79Å; R96-F248 PolarHBondContact NH1-O 2.79Å; R96-F248 PolarHBondContact NH2-O 3.04Å; T131-F248 HydrophobicContact CG2-CE1 3.97Å; T131-F248 HydrophobicContact CG2-CZ 3.9Å; I243-F248 HydrophobicContact CG2-CB 4.46Å; I243-F248 HydrophobicContact CG2-CD1 3.91Å; I243-F248 HydrophobicContact CG2-CE1 4.46Å; I243-F248 HydrophobicContact CG2-CG 4.34Å; S244-F248 VanDerWaalsContact O-CA 3.3Å; S244-F248 WeakPolarHBondContact O-CA 3.44Å; S244-F248 PolarHBondContact O-N 3.38Å; F248-V347 HydrophobicContact CE1-CG2 4.05Å; F248-V347 HydrophobicContact CZ-CG2 4.35Å
249E97.1Very high94.3Very high72 Ų7231.3 Ų31.334%0.33619%0.185SC..  trans-62.1138.2169.1-175.7171.7-159.700110.7G62 P64 I243 S244 T247 M251G62-E249 WeakPolarHBondContact O-CA 3.47Å; P64-E249 HydrophobicContact CB-CB 3.99Å; P64-E249 HydrophobicContact CB-CG 4.39Å; I243-E249 WeakPolarHBondContact CA-O 3.12Å; S244-E249 PolarHBondContact N-O 2.96Å; T247-E249 PolarHBondContact O-N 3.47Å; T247-E249 VanDerWaalsContact O-N 3.15Å; T247-E249 WeakPolarHBondContact OG1-CB 3.42Å; T247-E249 PolarHBondContact OG1-N 3.2Å; E249-M251 HydrophobicContact CG-CG 4.23Å
250Y97.4Very high94.1Very high14 Ų1430.9 Ų30.96%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-91.5114.3176.1-169.3-82.4000110.1G62 L98 P99 V101 T217 D241 I243 G345G62-Y250 PolarHBondContact O-N 2.98Å; L98-Y250 HydrophobicContact CD1-CD2 3.89Å; L98-Y250 HydrophobicContact CD1-CE2 3.67Å; L98-Y250 HydrophobicContact CD2-CD2 3.7Å; L98-Y250 HydrophobicContact CD2-CE2 4.35Å; L98-Y250 HydrophobicContact CD2-CG 4.09Å; L98-Y250 HydrophobicContact CG-CD2 4.36Å; P99-Y250 HydrophobicContact CG-CD1 3.96Å; V101-Y250 HydrophobicContact CG1-CD1 4.38Å; V101-Y250 HydrophobicContact CG1-CE1 4Å; V101-Y250 HydrophobicContact CG2-CE1 4.13Å; T217-Y250 HydrophobicContact CG2-CE1 4.43Å; T217-Y250 HydrophobicContact CG2-CE2 4.41Å; T217-Y250 WeakPolarHBondContact CG2-OH 3.28Å; D241-Y250 HydrophobicContact CB-CE1 3.89Å; D241-Y250 HydrophobicContact CB-CE2 4.27Å; D241-Y250 VanDerWaalsContact CB-OH 3.32Å; D241-Y250 WeakPolarHBondContact CB-OH 3.41Å; D241-Y250 VanDerWaalsContact CG-OH 3.27Å; D241-Y250 VanDerWaalsContact OD2-CE1 3.32Å; D241-Y250 WeakPolarHBondContact OD2-CE1 3.41Å; D241-Y250 PolarHBondContact OD2-OH 3Å; I243-Y250 HydrophobicContact CG1-CD2 4.05Å; I243-Y250 HydrophobicContact CG1-CE2 4.49Å; Y250-G345 PolarHBondContact OH-N 2.79Å
251M96Very high93.9Very high75 Ų7530 Ų3037%0.36918%0.178SC..EExtended strand (participates in β ladder)trans-114.6120.3179.9-64.6171.9-74.800109.8D241 V242 E249 G253D241-M251 WeakPolarHBondContact CB-O 3.48Å; V242-M251 HydrophobicContact CB-CB 4.31Å; V242-M251 HydrophobicContact CB-CE 4.08Å; V242-M251 HydrophobicContact CG1-CE 3.58Å; V242-M251 PolarHBondContact N-O 3.5Å; V242-M251 PolarHBondContact O-N 3.05Å; E249-M251 HydrophobicContact CG-CG 4.23Å; M251-G253 PolarHBondContact O-N 3.37Å
252A92.8Very high93.3Very high61 Ų6130 Ų3050%0.50418%0.178SC..PPolyproline II helixtrans-58.8132.5178.900000111.3V101V101-A252 HydrophobicContact CB-CB 3.89Å; V101-A252 HydrophobicContact CG1-CB 3.86Å; V101-A252 HydrophobicContact CG2-CB 4.41Å
253G89.1Confident92.7Very high22 Ų2227.8 Ų27.823%0.22716%0.164CC..PPolyproline II helixtrans-71.6166.3168.300000111.3D241 M251D241-G253 WeakPolarHBondContact OD1-CA 3.28Å; D241-G253 PolarHBondContact OD1-N 2.97Å; M251-G253 PolarHBondContact O-N 3.37Å
254S89.4Confident92Very high56 Ų5631.1 Ų31.139%0.39218%0.178SC..PPolyproline II helixtrans-89.6133.1178-176.50000110.6M256 T257S254-M256 PolarHBondContact O-N 2.97Å; S254-M256 WeakPolarHBondContact OG-CB 3.5Å; S254-M256 PolarHBondContact OG-N 3.43Å; S254-M256 VanDerWaalsContact OG-N 3.13Å; S254-T257 PolarHBondContact O-OG1 3.3Å
255D86.9Confident91.7Very high16 Ų1630.4 Ų30.49%0.08617%0.173CC..THydrogen-bonded Turntrans-78.8-2.8167.667.3-49.4000112.7I239 R284 T340I239-D255 HydrophobicContact CD1-CB 3.65Å; D255-R284 IonicContact OD1-CZ 2.73Å; D255-R284 IonicContact OD1-NE 2.99Å; D255-R284 IonicContact OD1-NH2 3.69Å; D255-R284 PolarHBondContact OD1-NH2 3.22Å; D255-R284 IonicContact OD2-CZ 2.85Å; D255-R284 IonicContact OD2-NE 2.93Å; D255-R284 PolarHBondContact OD2-NE 3.44Å; D255-R284 IonicContact OD2-NH2 3.95Å; D255-R284 PolarHBondContact OD2-NH2 2.9Å; D255-T340 HydrophobicContact CB-CG2 4.21Å
256M90.5Very high91.4Very high59 Ų5933.5 Ų33.529%0.29119%0.19SC..THydrogen-bonded Turntrans-102.616.5177.1-64-65.5-62.300112.1S254 P271 V272 M277S254-M256 PolarHBondContact O-N 2.97Å; S254-M256 WeakPolarHBondContact OG-CB 3.5Å; S254-M256 PolarHBondContact OG-N 3.43Å; S254-M256 VanDerWaalsContact OG-N 3.13Å; M256-P271 CarbonylContact O-C 3.57Å; M256-P271 WeakPolarHBondContact O-CA 3.5Å; M256-V272 VanDerWaalsContact C-CG2 3.46Å; M256-V272 PolarHBondContact O-N 3Å; M256-M277 HydrophobicContact CE-CE 3.72Å; M256-M277 HydrophobicContact CE-CG 4.43Å; M256-M277 HydrophobicContact CE-SD 3.58Å; M256-M277 VanDerWaalsContact CE-SD 3.58Å; M256-M277 HydrophobicContact SD-CE 3.9Å; M256-M277 HydrophobicContact SD-SD 3.84Å
257T92.7Very high91.4Very high43 Ų4332.4 Ų32.426%0.26418%0.181SC..EExtended strand (participates in β ladder)trans-114.6148.5170.353.70000111.8S254 Y270S254-T257 PolarHBondContact O-OG1 3.3Å; T257-Y270 CarbonylContact C-O 3.55Å; T257-Y270 WeakPolarHBondContact CA-O 3.34Å
258Y93.6Very high91.2Very high6 Ų634.5 Ų34.52%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-136.7159.3172.680.6-38.8000110.4Y270 P271 P273 P291Y258-Y270 WeakPolarHBondContact CD1-O 3.41Å; Y258-Y270 VanDerWaalsContact CE1-CB 3.47Å; Y258-Y270 PolarHBondContact N-O 3.25Å; Y258-Y270 PolarHBondContact O-N 3.47Å; Y258-P271 WeakPolarHBondContact CD1-O 3.37Å; Y258-P271 WeakPolarHBondContact CE1-O 3.44Å; Y258-P273 HydrophobicContact CE2-CG 4.13Å; Y258-P291 HydrophobicContact CD2-CG 4.15Å; Y258-P291 HydrophobicContact CE2-CG 3.65Å
259G94.8Very high90.9Very high0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-84.7126.3-176.700000112T290 P291 T292G259-T290 WeakPolarHBondContact CA-OG1 3.4Å; G259-T290 PolarHBondContact N-OG1 2.83Å; G259-T290 PolarHBondContact O-OG1 3.06Å; G259-T290 VanDerWaalsContact O-OG1 3.11Å; G259-P291 WeakPolarHBondContact O-CD 3.32Å; G259-T292 WeakPolarHBondContact CA-O 3.34Å; G259-T292 PolarHBondContact O-N 3.3Å; G259-T292 PolarHBondContact O-OG1 3.08Å
260G94Very high90.6Very high0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-129.4-167.5168.500000111.2F267 R268 T292G260-F267 WeakPolarHBondContact O-CD2 3.44Å; G260-R268 CarbonylContact C-O 3.54Å; G260-R268 PolarHBondContact N-O 3.18Å; G260-R268 PolarHBondContact O-N 3.21Å; G260-T292 VanDerWaalsContact C-OG1 3.23Å; G260-T292 VanDerWaalsContact CA-OG1 3.3Å; G260-T292 WeakPolarHBondContact CA-OG1 3.29Å; G260-T292 PolarHBondContact N-OG1 2.61Å; G260-T292 PolarHBondContact O-OG1 3.44Å
261F91.8Very high90.3Very high1 Ų141.5 Ų41.50%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-140.4156.717267.4-75.3000109.6W263 L265 N266 T292 L323 F327 F413 Y416 Y421F261-W263 HydrophobicContact CE2-CD2 4.47Å; F261-L265 HydrophobicContact CD2-CD2 3.88Å; F261-L265 HydrophobicContact CE2-CD2 4.02Å; F261-N266 CarbonylContact C-O 3.52Å; F261-N266 WeakPolarHBondContact CA-O 3.13Å; F261-N266 WeakPolarHBondContact CB-O 3.24Å; F261-T292 HydrophobicContact CD1-CG2 3.71Å; F261-T292 HydrophobicContact CE1-CG2 4.44Å; F261-L323 HydrophobicContact CB-CD1 4.21Å; F261-L323 HydrophobicContact CB-CD2 3.85Å; F261-L323 HydrophobicContact CG-CD2 4.41Å; F261-F327 AromaticContact CD1-CE1 3.97Å; F261-F327 HydrophobicContact CD1-CE1 3.97Å; F261-F327 HydrophobicContact CD1-CZ 4.1Å; F261-F327 HydrophobicContact CD2-CZ 4.33Å; F261-F327 AromaticContact CE1-CE1 3.59Å; F261-F327 HydrophobicContact CE1-CE1 3.59Å; F261-F327 AromaticContact CE1-CZ 3.77Å; F261-F327 HydrophobicContact CE1-CZ 3.77Å; F261-F327 HydrophobicContact CE2-CZ 4.04Å; F261-F327 HydrophobicContact CG-CZ 4.4Å; F261-F327 HydrophobicContact CZ-CE1 4.02Å; F261-F327 AromaticContact CZ-CZ 3.76Å; F261-F327 HydrophobicContact CZ-CZ 3.76Å; F261-F413 AromaticContact CZ-CZ 3.9Å; F261-F413 HydrophobicContact CZ-CZ 3.9Å; F261-Y416 AromaticContact CE1-CE1 4Å; F261-Y416 HydrophobicContact CE1-CE1 4Å; F261-Y416 HydrophobicContact CZ-CE1 4.48Å; F261-Y421 HydrophobicContact CD1-CD1 4.06Å; F261-Y421 AromaticContact CD1-CE1 3.83Å; F261-Y421 HydrophobicContact CD1-CE1 3.83Å; F261-Y421 AromaticContact CE1-CD1 3.58Å; F261-Y421 HydrophobicContact CE1-CD1 3.58Å; F261-Y421 AromaticContact CE1-CE1 3.75Å; F261-Y421 HydrophobicContact CE1-CE1 3.75Å; F261-Y421 HydrophobicContact CZ-CD1 4.31Å; F261-Y421 HydrophobicContact CZ-CE1 4.46Å; F261-Y421 PolarHBondContact O-OH 3.28Å
262N85.9Confident90.2Very high1 Ų138.6 Ų38.61%0.00521%0.209CC..  trans-96.7170.616581.2-14.1000110.1K264 L265 N266 R268 D482N262-K264 PolarHBondContact O-N 2.8Å; N262-K264 VanDerWaalsContact O-N 3.08Å; N262-K264 WeakPolarHBondContact OD1-CB 3.47Å; N262-K264 PolarHBondContact OD1-N 2.9Å; N262-L265 WeakPolarHBondContact O-CA 3.3Å; N262-L265 PolarHBondContact O-N 3.2Å; N262-N266 PolarHBondContact N-O 3.31Å; N262-N266 WeakPolarHBondContact OD1-CB 3.34Å; N262-N266 PolarHBondContact OD1-N 2.89Å; N262-N266 VanDerWaalsContact OD1-N 3.12Å; N262-N266 PolarHBondContact OD1-O 2.87Å; N262-R268 PolarHBondContact ND2-NH2 3.41Å; N262-R268 VanDerWaalsContact ND2-NH2 3.13Å; N262-D482 PolarHBondContact ND2-OD1 2.67Å
263W83.1Confident90Very high7 Ų736.5 Ų36.53%0.02719%0.19CC..THydrogen-bonded Turntrans-79.47-173.3-69.790000115.2F261 M376 F379 F382 F383 I386 F413 L417 S424 I426F261-W263 HydrophobicContact CE2-CD2 4.47Å; W263-M376 HydrophobicContact CE3-CE 4.14Å; W263-M376 HydrophobicContact CZ3-CE 3.8Å; W263-F379 HydrophobicContact CH2-CB 4.2Å; W263-F379 HydrophobicContact CH2-CD1 4.11Å; W263-F379 HydrophobicContact CH2-CG 4.5Å; W263-F379 HydrophobicContact CZ3-CB 4.03Å; W263-F382 HydrophobicContact CE3-CB 4.36Å; W263-F383 WeakPolarHBondContact O-CD2 3.37Å; W263-I386 HydrophobicContact CB-CD1 3.44Å; W263-I386 VanDerWaalsContact CB-CD1 3.44Å; W263-I386 WeakPolarHBondContact O-CD1 3.41Å; W263-F413 AromaticContact CH2-CE1 3.92Å; W263-F413 HydrophobicContact CH2-CE1 3.92Å; W263-F413 HydrophobicContact CZ3-CE1 4.23Å; W263-L417 HydrophobicContact CH2-CD1 3.84Å; W263-L417 HydrophobicContact CH2-CD2 4.14Å; W263-L417 HydrophobicContact CZ2-CD1 4.17Å; W263-L417 HydrophobicContact CZ2-CD2 3.93Å; W263-S424 WeakPolarHBondContact CZ2-OG 3.38Å; W263-S424 PolarHBondContact NE1-OG 2.83Å; W263-I426 HydrophobicContact CB-CD1 3.69Å; W263-I426 HydrophobicContact CB-CG1 4.18Å; W263-I426 HydrophobicContact CD2-CB 3.98Å; W263-I426 HydrophobicContact CD2-CD1 3.15Å; W263-I426 HydrophobicContact CD2-CG1 3.6Å; W263-I426 HydrophobicContact CE3-CD1 3.53Å; W263-I426 HydrophobicContact CE3-CG1 4.41Å; W263-I426 HydrophobicContact CG-CB 4.22Å; W263-I426 HydrophobicContact CG-CD1 3.22Å; W263-I426 HydrophobicContact CG-CG1 3.43Å; W263-I426 VanDerWaalsContact CG-CG1 3.43Å; W263-I426 HydrophobicContact CH2-CB 4.37Å; W263-I426 HydrophobicContact CH2-CD1 4.39Å; W263-I426 HydrophobicContact CZ2-CB 3.58Å; W263-I426 HydrophobicContact CZ2-CD1 4.16Å; W263-I426 HydrophobicContact CZ2-CG1 4.19Å; W263-I426 HydrophobicContact CZ2-CG2 4.13Å; W263-I426 HydrophobicContact CZ3-CD1 4.14Å
264K82.8Confident90.1Very high71 Ų7141.6 Ų41.631%0.30921%0.208SC..THydrogen-bonded Turntrans-86.15.5159.9-66.2178.1178.3175.30112.3N262 N266 I386N262-K264 PolarHBondContact O-N 2.8Å; N262-K264 VanDerWaalsContact O-N 3.08Å; N262-K264 WeakPolarHBondContact OD1-CB 3.47Å; N262-K264 PolarHBondContact OD1-N 2.9Å; K264-N266 PolarHBondContact O-N 3.28Å; K264-I386 HydrophobicContact CD-CG2 4.29Å; K264-I386 HydrophobicContact CG-CG2 3.47Å; K264-I386 VanDerWaalsContact CG-CG2 3.47Å
265L89.8Confident90.1Very high5 Ų542.7 Ų42.73%0.02620%0.204CC..SBendtrans57.535.4-172.5-60.4-178.3000113F261 N262 L323 N368 L371 A372 M376 F383F261-L265 HydrophobicContact CD2-CD2 3.88Å; F261-L265 HydrophobicContact CE2-CD2 4.02Å; N262-L265 WeakPolarHBondContact O-CA 3.3Å; N262-L265 PolarHBondContact O-N 3.2Å; L265-L323 HydrophobicContact CB-CD1 3.93Å; L265-L323 HydrophobicContact CD2-CD1 4.36Å; L265-L323 WeakPolarHBondContact O-CD1 3.34Å; L265-N368 HydrophobicContact CD1-CB 4.08Å; L265-L371 HydrophobicContact CD1-CD1 3.64Å; L265-L371 HydrophobicContact CD1-CD2 4.36Å; L265-L371 HydrophobicContact CD1-CG 4.21Å; L265-L371 HydrophobicContact CD2-CD1 4.41Å; L265-A372 HydrophobicContact CD1-CB 4.48Å; L265-M376 HydrophobicContact CD1-SD 3.94Å; L265-M376 HydrophobicContact CD2-CE 4.02Å; L265-M376 HydrophobicContact CD2-SD 3.78Å; L265-M376 HydrophobicContact CG-SD 4.41Å; L265-F383 HydrophobicContact CB-CD2 4.47Å; L265-F383 HydrophobicContact CB-CE2 4.1Å; L265-F383 HydrophobicContact CB-CZ 4.41Å; L265-F383 HydrophobicContact CD1-CD1 3.65Å; L265-F383 HydrophobicContact CD1-CD2 3.97Å; L265-F383 HydrophobicContact CD1-CE1 3.51Å; L265-F383 HydrophobicContact CD1-CE2 3.86Å; L265-F383 HydrophobicContact CD1-CG 3.87Å; L265-F383 HydrophobicContact CD1-CZ 3.63Å; L265-F383 HydrophobicContact CG-CD1 4.33Å; L265-F383 HydrophobicContact CG-CD2 3.77Å; L265-F383 HydrophobicContact CG-CE1 4.35Å; L265-F383 HydrophobicContact CG-CE2 3.81Å; L265-F383 HydrophobicContact CG-CG 4.04Å; L265-F383 HydrophobicContact CG-CZ 4.11Å
266N88.5Confident90.5Very high83 Ų8342.2 Ų42.244%0.44420%0.201SC..  trans-97.3133.3169.1-64.5-33.9000109.6F261 N262 K264F261-N266 CarbonylContact C-O 3.52Å; F261-N266 WeakPolarHBondContact CA-O 3.13Å; F261-N266 WeakPolarHBondContact CB-O 3.24Å; N262-N266 PolarHBondContact N-O 3.31Å; N262-N266 WeakPolarHBondContact OD1-CB 3.34Å; N262-N266 PolarHBondContact OD1-N 2.89Å; N262-N266 VanDerWaalsContact OD1-N 3.12Å; N262-N266 PolarHBondContact OD1-O 2.87Å; K264-N266 PolarHBondContact O-N 3.28Å
267F91.9Very high90.5Very high54 Ų5441 Ų4124%0.23720%0.195CC..EExtended strand (participates in β ladder)trans-62.6139170.8176.4-93.6000110.7G260 W269 T292 M293 A294G260-F267 WeakPolarHBondContact O-CD2 3.44Å; F267-W269 AromaticContact CE1-CD1 3.99Å; F267-W269 AromaticContact CE1-CD2 3.86Å; F267-W269 HydrophobicContact CE1-CD2 3.86Å; F267-W269 AromaticContact CE1-CE2 3.51Å; F267-W269 HydrophobicContact CE1-CE3 4.49Å; F267-W269 HydrophobicContact CE1-CG 4.16Å; F267-W269 AromaticContact CE1-CZ2 3.89Å; F267-W269 HydrophobicContact CE1-CZ2 3.89Å; F267-W269 AromaticContact CE1-NE1 3.61Å; F267-W269 AromaticContact CZ-CD2 3.82Å; F267-W269 HydrophobicContact CZ-CD2 3.82Å; F267-W269 AromaticContact CZ-CE2 3.7Å; F267-W269 AromaticContact CZ-CE3 4Å; F267-W269 HydrophobicContact CZ-CE3 4Å; F267-W269 HydrophobicContact CZ-CG 4.48Å; F267-W269 AromaticContact CZ-CH2 3.96Å; F267-W269 HydrophobicContact CZ-CH2 3.96Å; F267-W269 AromaticContact CZ-CZ2 3.78Å; F267-W269 HydrophobicContact CZ-CZ2 3.78Å; F267-W269 HydrophobicContact CZ-CZ3 4.07Å; F267-T292 WeakPolarHBondContact CD2-OG1 3.32Å; F267-M293 WeakPolarHBondContact CD2-O 3.27Å; F267-A294 HydrophobicContact CE1-CB 3.99Å; F267-A294 HydrophobicContact CE2-CB 4.4Å; F267-A294 HydrophobicContact CZ-CB 3.9Å
268R89.9Confident90.6Very high77 Ų7743.6 Ų43.629%0.29121%0.207SC..EExtended strand (participates in β ladder)trans-141.9147.6173.4-70-165.2-177.5178.110110.5G260 N262 Y270 D482 D483G260-R268 CarbonylContact C-O 3.54Å; G260-R268 PolarHBondContact N-O 3.18Å; G260-R268 PolarHBondContact O-N 3.21Å; N262-R268 PolarHBondContact ND2-NH2 3.41Å; N262-R268 VanDerWaalsContact ND2-NH2 3.13Å; R268-Y270 HydrophobicContact CB-CD2 4.32Å; R268-Y270 HydrophobicContact CB-CE2 3.63Å; R268-D482 IonicContact CZ-OD2 3.48Å; R268-D482 IonicContact NH1-OD2 2.93Å; R268-D482 IonicContact NH2-OD2 2.74Å; R268-D482 PolarHBondContact NH2-OD2 2.86Å; R268-D483 IonicContact NH1-OD1 3.71Å; R268-D483 IonicContact NH1-OD2 3.66Å; R268-D483 PolarHBondContact NH1-OD2 3.25Å
269W91.2Very high90.6Very high99 Ų9947.7 Ų47.738%0.37522%0.222SC..EExtended strand (participates in β ladder)trans-84.4131.4167.6-64.9109.6000109.8I240 F267 A294 I338I240-W269 HydrophobicContact CD1-CH2 4.46Å; I240-W269 HydrophobicContact CD1-CZ2 4.29Å; F267-W269 AromaticContact CE1-CD1 3.99Å; F267-W269 AromaticContact CE1-CD2 3.86Å; F267-W269 HydrophobicContact CE1-CD2 3.86Å; F267-W269 AromaticContact CE1-CE2 3.51Å; F267-W269 HydrophobicContact CE1-CE3 4.49Å; F267-W269 HydrophobicContact CE1-CG 4.16Å; F267-W269 AromaticContact CE1-CZ2 3.89Å; F267-W269 HydrophobicContact CE1-CZ2 3.89Å; F267-W269 AromaticContact CE1-NE1 3.61Å; F267-W269 AromaticContact CZ-CD2 3.82Å; F267-W269 HydrophobicContact CZ-CD2 3.82Å; F267-W269 AromaticContact CZ-CE2 3.7Å; F267-W269 AromaticContact CZ-CE3 4Å; F267-W269 HydrophobicContact CZ-CE3 4Å; F267-W269 HydrophobicContact CZ-CG 4.48Å; F267-W269 AromaticContact CZ-CH2 3.96Å; F267-W269 HydrophobicContact CZ-CH2 3.96Å; F267-W269 AromaticContact CZ-CZ2 3.78Å; F267-W269 HydrophobicContact CZ-CZ2 3.78Å; F267-W269 HydrophobicContact CZ-CZ3 4.07Å; W269-A294 HydrophobicContact CH2-CB 4.48Å; W269-A294 HydrophobicContact CZ2-CB 4.06Å; W269-I338 HydrophobicContact CZ3-CD1 4.06Å
270Y90.8Very high90.6Very high33 Ų3347.9 Ų47.913%0.12922%0.223CC..EExtended strand (participates in β ladder)trans-121.8159.1175.5-66.3-79.1000110.2T257 Y258 R268 Y421 Q425T257-Y270 CarbonylContact C-O 3.55Å; T257-Y270 WeakPolarHBondContact CA-O 3.34Å; Y258-Y270 WeakPolarHBondContact CD1-O 3.41Å; Y258-Y270 VanDerWaalsContact CE1-CB 3.47Å; Y258-Y270 PolarHBondContact N-O 3.25Å; Y258-Y270 PolarHBondContact O-N 3.47Å; R268-Y270 HydrophobicContact CB-CD2 4.32Å; R268-Y270 HydrophobicContact CB-CE2 3.63Å; Y270-Y421 WeakPolarHBondContact CE2-OH 3.44Å; Y270-Q425 PolarHBondContact OH-NE2 2.87Å
271P91.9Very high90.6Very high103 Ų10357.3 Ų57.367%0.66926%0.264SS*.EExtended strand (participates in β ladder)trans-64.5143.2169.6-13.427.4000110.5M256 Y258M256-P271 CarbonylContact O-C 3.57Å; M256-P271 WeakPolarHBondContact O-CA 3.5Å; Y258-P271 WeakPolarHBondContact CD1-O 3.37Å; Y258-P271 WeakPolarHBondContact CE1-O 3.44Å
272V92.1Very high90.4Very high13 Ų1359.6 Ų59.68%0.07929%0.288CS..PPolyproline II helixtrans-60125.6175173.50000109.6M256 E276 M277 V288M256-V272 VanDerWaalsContact C-CG2 3.46Å; M256-V272 PolarHBondContact O-N 3Å; V272-E276 HydrophobicContact CG1-CB 3.84Å; V272-E276 HydrophobicContact CG1-CG 3.94Å; V272-M277 HydrophobicContact CG1-CG 4.13Å; V272-M277 HydrophobicContact CG1-SD 3.92Å; V272-V288 HydrophobicContact CG2-CG1 3.98Å; V272-V288 HydrophobicContact CG2-CG2 4.35Å
273P90.4Very high90.7Very high18 Ų1862.7 Ų62.712%0.11731%0.305CS..PPolyproline II helixtrans-72.6153.9-177.129.9-35.8000111.3Y258 R275 E276 M277Y258-P273 HydrophobicContact CE2-CG 4.13Å; P273-R275 HydrophobicContact CB-CG 4.1Å; P273-R275 HydrophobicContact CG-CG 3.91Å; P273-R275 PolarHBondContact O-N 3.48Å; P273-R275 VanDerWaalsContact O-N 3.14Å; P273-E276 HydrophobicContact CG-CB 4.2Å; P273-E276 PolarHBondContact O-N 2.99Å; P273-M277 PolarHBondContact O-N 3.11Å
274Q89.5Confident91.2Very high128 Ų12867.3 Ų67.360%0.59832%0.322SS*.Hα-helixtrans-55-37.5-177.4-170.959.84100112.5E276 M277 D278Q274-E276 PolarHBondContact O-N 3.36Å; Q274-E276 VanDerWaalsContact O-N 3.14Å; Q274-M277 WeakPolarHBondContact O-CA 3.48Å; Q274-M277 WeakPolarHBondContact O-CB 3.47Å; Q274-M277 PolarHBondContact O-N 2.99Å; Q274-D278 PolarHBondContact NE2-OD1 2.93Å; Q274-D278 PolarHBondContact O-N 2.71Å
275R90.8Very high91.7Very high80 Ų8064.9 Ų64.930%0.30231%0.313SS..Hα-helixtrans-53.4-36.9175.969.9-177.4174.294.6-2.2113.6P273 R279 V420 D423P273-R275 HydrophobicContact CB-CG 4.1Å; P273-R275 HydrophobicContact CG-CG 3.91Å; P273-R275 PolarHBondContact O-N 3.48Å; P273-R275 VanDerWaalsContact O-N 3.14Å; R275-R279 PolarHBondContact O-N 2.71Å; R275-V420 PolarHBondContact NH2-O 2.93Å; R275-D423 IonicContact CZ-OD2 2.79Å; R275-D423 VanDerWaalsContact CZ-OD2 3.26Å; R275-D423 IonicContact NE-OD2 3.85Å; R275-D423 PolarHBondContact NE-OD2 2.81Å; R275-D423 IonicContact NH2-OD2 2.91Å; R275-D423 PolarHBondContact NH2-OD2 3.4Å
276E93.8Very high92Very high5 Ų567.5 Ų67.52%0.02333%0.327CS..Hα-helixtrans-85.1-26.8-177.4-176.259.2-166.100111.1V272 P273 Q274 R279 R280 V288 R289V272-E276 HydrophobicContact CG1-CB 3.84Å; V272-E276 HydrophobicContact CG1-CG 3.94Å; P273-E276 HydrophobicContact CG-CB 4.2Å; P273-E276 PolarHBondContact O-N 2.99Å; Q274-E276 PolarHBondContact O-N 3.36Å; Q274-E276 VanDerWaalsContact O-N 3.14Å; E276-R279 VanDerWaalsContact CD-NE 3.3Å; E276-R279 IonicContact OE1-CZ 2.77Å; E276-R279 VanDerWaalsContact OE1-CZ 3.28Å; E276-R279 IonicContact OE1-NE 3.69Å; E276-R279 PolarHBondContact OE1-NE 2.66Å; E276-R279 IonicContact OE1-NH2 3.5Å; E276-R279 PolarHBondContact OE1-NH2 3.11Å; E276-R279 WeakPolarHBondContact OE2-CD 3.49Å; E276-R279 IonicContact OE2-CZ 3.66Å; E276-R279 IonicContact OE2-NE 3.57Å; E276-R279 PolarHBondContact OE2-NE 3.24Å; E276-R280 WeakPolarHBondContact O-CG 3.2Å; E276-R280 PolarHBondContact O-N 2.98Å; E276-R280 PolarHBondContact O-NE 3.01Å; E276-V288 HydrophobicContact CG-CG1 4.03Å; E276-R289 PolarHBondContact OE1-N 3Å
277M91.4Very high92.3Very high33 Ų3364.5 Ų64.516%0.16331%0.312CS..Hα-helixtrans-64.9-45.1166.3-63.4-59.2-67.100111.3M256 V272 P273 Q274 R280 K281 G282M256-M277 HydrophobicContact CE-CE 3.72Å; M256-M277 HydrophobicContact CE-CG 4.43Å; M256-M277 HydrophobicContact CE-SD 3.58Å; M256-M277 VanDerWaalsContact CE-SD 3.58Å; M256-M277 HydrophobicContact SD-CE 3.9Å; M256-M277 HydrophobicContact SD-SD 3.84Å; V272-M277 HydrophobicContact CG1-CG 4.13Å; V272-M277 HydrophobicContact CG1-SD 3.92Å; P273-M277 PolarHBondContact O-N 3.11Å; Q274-M277 WeakPolarHBondContact O-CA 3.48Å; Q274-M277 WeakPolarHBondContact O-CB 3.47Å; Q274-M277 PolarHBondContact O-N 2.99Å; M277-R280 CarbonylContact O-C 3.52Å; M277-R280 PolarHBondContact O-N 3.46Å; M277-R280 PolarHBondContact SD-NH2 3.31Å; M277-K281 PolarHBondContact O-N 3.46Å; M277-K281 VanDerWaalsContact O-N 3.13Å; M277-G282 PolarHBondContact O-N 3.48Å
278D93.8Very high92.6Very high98 Ų9862 Ų6252%0.52430%0.301SS..Hα-helixtrans-65.8-42.3180-62-21.6000111.2Q274 R280 K281Q274-D278 PolarHBondContact NE2-OD1 2.93Å; Q274-D278 PolarHBondContact O-N 2.71Å; D278-R280 PolarHBondContact O-N 2.96Å; D278-K281 PolarHBondContact O-N 3.23Å
279R94.9Very high92.9Very high92 Ų9263.3 Ų63.335%0.34731%0.306SS..Hα-helixtrans-55.8-39.4174.3-171.2-165.568.576.5-2.5112R275 E276 K281 P287R275-R279 PolarHBondContact O-N 2.71Å; E276-R279 VanDerWaalsContact CD-NE 3.3Å; E276-R279 IonicContact OE1-CZ 2.77Å; E276-R279 VanDerWaalsContact OE1-CZ 3.28Å; E276-R279 IonicContact OE1-NE 3.69Å; E276-R279 PolarHBondContact OE1-NE 2.66Å; E276-R279 IonicContact OE1-NH2 3.5Å; E276-R279 PolarHBondContact OE1-NH2 3.11Å; E276-R279 WeakPolarHBondContact OE2-CD 3.49Å; E276-R279 IonicContact OE2-CZ 3.66Å; E276-R279 IonicContact OE2-NE 3.57Å; E276-R279 PolarHBondContact OE2-NE 3.24Å; R279-K281 VanDerWaalsContact C-N 3.29Å; R279-P287 PolarHBondContact NH2-O 3.36Å
280R94.1Very high93.2Very high4 Ų458.6 Ų58.62%0.01529%0.289CS..THydrogen-bonded Turntrans-82.6-3.8178.8-67.1-173.8-65.4164.8-0.1113.2E276 M277 D278 G282 D283 L286 V288E276-R280 WeakPolarHBondContact O-CG 3.2Å; E276-R280 PolarHBondContact O-N 2.98Å; E276-R280 PolarHBondContact O-NE 3.01Å; M277-R280 CarbonylContact O-C 3.52Å; M277-R280 PolarHBondContact O-N 3.46Å; M277-R280 PolarHBondContact SD-NH2 3.31Å; D278-R280 PolarHBondContact O-N 2.96Å; R280-G282 PolarHBondContact O-N 2.77Å; R280-G282 VanDerWaalsContact O-N 3.16Å; R280-D283 WeakPolarHBondContact O-CB 3.3Å; R280-D283 PolarHBondContact O-N 3.02Å; R280-L286 HydrophobicContact CB-CB 4.49Å; R280-L286 HydrophobicContact CB-CD1 4.33Å; R280-L286 WeakPolarHBondContact CD-O 3.41Å; R280-L286 HydrophobicContact CG-CB 4.05Å; R280-L286 HydrophobicContact CG-CD1 4.48Å; R280-L286 PolarHBondContact NH1-O 2.96Å; R280-V288 VanDerWaalsContact CZ-CG2 3.46Å
281K93.6Very high93.5Very high198 Ų19857.1 Ų57.186%0.86128%0.283SS*.THydrogen-bonded Turntrans51.934.1-176.6-56.1-179.4179.8-179.80112.6M277 D278 R279 D283M277-K281 PolarHBondContact O-N 3.46Å; M277-K281 VanDerWaalsContact O-N 3.13Å; D278-K281 PolarHBondContact O-N 3.23Å; R279-K281 VanDerWaalsContact C-N 3.29Å; K281-D283 VanDerWaalsContact C-N 3.31Å; K281-D283 PolarHBondContact O-N 2.79Å
282G87.8Confident93.8Very high50 Ų5052.2 Ų52.252%0.51525%0.251SS..THydrogen-bonded Turntrans79.4-2.3-177.100000116.2M277 R280 R284M277-G282 PolarHBondContact O-N 3.48Å; R280-G282 PolarHBondContact O-N 2.77Å; R280-G282 VanDerWaalsContact O-N 3.16Å; G282-R284 PolarHBondContact O-N 3.44Å
283D92.8Very high94Very high66 Ų6651.8 Ų51.835%0.35325%0.248SC..  trans-76.6104.1175.4-175.3-5.2000111.2R280 K281 T285 L286R280-D283 WeakPolarHBondContact O-CB 3.3Å; R280-D283 PolarHBondContact O-N 3.02Å; K281-D283 VanDerWaalsContact C-N 3.31Å; K281-D283 PolarHBondContact O-N 2.79Å; D283-T285 PolarHBondContact O-N 3.36Å; D283-T285 WeakPolarHBondContact OD1-CA 3.49Å; D283-T285 VanDerWaalsContact OD1-CB 3.32Å; D283-T285 WeakPolarHBondContact OD1-CB 3.46Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.1Å; D283-T285 PolarHBondContact OD1-N 3.17Å; D283-T285 PolarHBondContact OD1-OG1 3.06Å; D283-T285 PolarHBondContact OD2-OG1 3.21Å; D283-L286 HydrophobicContact CB-CD1 3.94Å; D283-L286 HydrophobicContact CB-CG 3.98Å; D283-L286 PolarHBondContact O-N 3.46Å
284R92.9Very high94.1Very high104 Ų10452.6 Ų52.639%0.39226%0.256SS..THydrogen-bonded Turntrans-73.2-13.2-179.9-66.217266.6-175.32.3113.5L103 D255 G282 L286 T340L103-R284 HydrophobicContact CD1-CB 3.69Å; D255-R284 IonicContact OD1-CZ 2.73Å; D255-R284 IonicContact OD1-NE 2.99Å; D255-R284 IonicContact OD1-NH2 3.69Å; D255-R284 PolarHBondContact OD1-NH2 3.22Å; D255-R284 IonicContact OD2-CZ 2.85Å; D255-R284 IonicContact OD2-NE 2.93Å; D255-R284 PolarHBondContact OD2-NE 3.44Å; D255-R284 IonicContact OD2-NH2 3.95Å; D255-R284 PolarHBondContact OD2-NH2 2.9Å; G282-R284 PolarHBondContact O-N 3.44Å; R284-L286 VanDerWaalsContact C-N 3.29Å; R284-T340 VanDerWaalsContact O-CB 3.29Å; R284-T340 WeakPolarHBondContact O-CB 3.26Å; R284-T340 PolarHBondContact O-OG1 3.01Å
285T93.8Very high93.9Very high20 Ų2046.6 Ų46.612%0.12323%0.229CC..THydrogen-bonded Turntrans-82.2-8.3176.378.80000113.2K109 D283 T340K109-T285 PolarHBondContact NZ-O 2.99Å; K109-T285 VanDerWaalsContact NZ-O 3.08Å; D283-T285 PolarHBondContact O-N 3.36Å; D283-T285 WeakPolarHBondContact OD1-CA 3.49Å; D283-T285 VanDerWaalsContact OD1-CB 3.32Å; D283-T285 WeakPolarHBondContact OD1-CB 3.46Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.1Å; D283-T285 PolarHBondContact OD1-N 3.17Å; D283-T285 PolarHBondContact OD1-OG1 3.06Å; D283-T285 PolarHBondContact OD2-OG1 3.21Å; T285-T340 VanDerWaalsContact C-OG1 3.29Å; T285-T340 WeakPolarHBondContact CA-OG1 3.43Å; T285-T340 PolarHBondContact O-OG1 3.38Å
286L95.4Very high93.7Very high60 Ų6043.2 Ų43.231%0.31422%0.219SC..SBendtrans-82.2141.4174.7-64.8179.9000110.7R280 D283 R284R280-L286 HydrophobicContact CB-CB 4.49Å; R280-L286 HydrophobicContact CB-CD1 4.33Å; R280-L286 WeakPolarHBondContact CD-O 3.41Å; R280-L286 HydrophobicContact CG-CB 4.05Å; R280-L286 HydrophobicContact CG-CD1 4.48Å; R280-L286 PolarHBondContact NH1-O 2.96Å; D283-L286 HydrophobicContact CB-CD1 3.94Å; D283-L286 HydrophobicContact CB-CG 3.98Å; D283-L286 PolarHBondContact O-N 3.46Å; R284-L286 VanDerWaalsContact C-N 3.29Å
287P96.4Very high93.8Very high20 Ų2043.1 Ų43.113%0.1322%0.219CC..PPolyproline II helixtrans-55.2144.1176.6-24.333000112.7R279 E337 I338 V339R279-P287 PolarHBondContact NH2-O 3.36Å; P287-E337 HydrophobicContact CB-CB 4.1Å; P287-E337 WeakPolarHBondContact CB-OE2 3.43Å; P287-I338 CarbonylContact C-O 3.46Å; P287-I338 WeakPolarHBondContact CA-O 3.08Å; P287-V339 HydrophobicContact CB-CG2 4.37Å; P287-V339 HydrophobicContact CG-CG2 4.26Å
288V96.9Very high94.2Very high1 Ų141.6 Ų41.61%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-93.5125.2175.9176.20000108.9V272 E276 R280 T290 E337 I338 T340V272-V288 HydrophobicContact CG2-CG1 3.98Å; V272-V288 HydrophobicContact CG2-CG2 4.35Å; E276-V288 HydrophobicContact CG-CG1 4.03Å; R280-V288 VanDerWaalsContact CZ-CG2 3.46Å; V288-T290 PolarHBondContact O-N 3.32Å; V288-E337 CarbonylContact O-C 3.49Å; V288-E337 VanDerWaalsContact O-CA 3.22Å; V288-E337 WeakPolarHBondContact O-CA 3.45Å; V288-I338 HydrophobicContact CB-CB 4.36Å; V288-I338 PolarHBondContact N-O 3.32Å; V288-I338 PolarHBondContact O-N 2.84Å; V288-T340 HydrophobicContact CG2-CG2 3.9Å
289R97.2Very high94.4Very high104 Ų10437 Ų3739%0.39219%0.186SC..EExtended strand (participates in β ladder)trans-69.9124.8169.3-69.9175.9176.3177.7-0.9109.6E276 W330 E337E276-R289 PolarHBondContact OE1-N 3Å; R289-W330 HydrophobicContact CB-CH2 4.24Å; R289-W330 HydrophobicContact CB-CZ2 4.34Å; R289-W330 HydrophobicContact CG-CH2 4.28Å; R289-E337 HydrophobicContact CG-CG 4.23Å
290T97.3Very high94.5Very high1 Ų132.6 Ų32.61%0.00617%0.17CC..  trans-118.4129.3-175.7-170.60000111.2G259 V288 T292 W330 L336 I338G259-T290 WeakPolarHBondContact CA-OG1 3.4Å; G259-T290 PolarHBondContact N-OG1 2.83Å; G259-T290 PolarHBondContact O-OG1 3.06Å; G259-T290 VanDerWaalsContact O-OG1 3.11Å; V288-T290 PolarHBondContact O-N 3.32Å; T290-T292 VanDerWaalsContact C-N 3.29Å; T290-T292 WeakPolarHBondContact CG2-O 3.48Å; T290-T292 PolarHBondContact O-N 2.76Å; T290-T292 PolarHBondContact OG1-O 3.08Å; T290-W330 PolarHBondContact O-NE1 3.39Å; T290-L336 HydrophobicContact CG2-CB 4.43Å; T290-L336 HydrophobicContact CG2-CD2 4Å; T290-L336 HydrophobicContact CG2-CG 3.63Å; T290-L336 PolarHBondContact N-O 3.49Å; T290-I338 HydrophobicContact CG2-CD1 4.17Å; T290-I338 HydrophobicContact CG2-CG1 3.84Å
291P96.9Very high94.7Very high1 Ų133.4 Ų33.41%0.00618%0.175CC..SBendtrans-53.5-46.1174-28.933.2000112.9Y258 G259 W330 Y416 V420 Y421Y258-P291 HydrophobicContact CD2-CG 4.15Å; Y258-P291 HydrophobicContact CE2-CG 3.65Å; G259-P291 WeakPolarHBondContact O-CD 3.32Å; P291-W330 PolarHBondContact O-NE1 3.43Å; P291-Y416 WeakPolarHBondContact CB-OH 3.36Å; P291-Y416 PolarHBondContact O-OH 3.11Å; P291-V420 HydrophobicContact CB-CG1 4.34Å; P291-Y421 HydrophobicContact CB-CD1 4.23Å; P291-Y421 HydrophobicContact CB-CD2 4.08Å; P291-Y421 HydrophobicContact CB-CG 3.82Å; P291-Y421 HydrophobicContact CG-CD2 3.49Å; P291-Y421 VanDerWaalsContact CG-CD2 3.49Å; P291-Y421 HydrophobicContact CG-CE2 4.13Å; P291-Y421 HydrophobicContact CG-CG 3.72Å
292T97.4Very high94.8Very high0 Ų026.2 Ų26.20%014%0.142CC..  trans-134.5160.6-178.5650000111.5G259 G260 F261 F267 T290 L323 S326 F327G259-T292 WeakPolarHBondContact CA-O 3.34Å; G259-T292 PolarHBondContact O-N 3.3Å; G259-T292 PolarHBondContact O-OG1 3.08Å; G260-T292 VanDerWaalsContact C-OG1 3.23Å; G260-T292 VanDerWaalsContact CA-OG1 3.3Å; G260-T292 WeakPolarHBondContact CA-OG1 3.29Å; G260-T292 PolarHBondContact N-OG1 2.61Å; G260-T292 PolarHBondContact O-OG1 3.44Å; F261-T292 HydrophobicContact CD1-CG2 3.71Å; F261-T292 HydrophobicContact CE1-CG2 4.44Å; F267-T292 WeakPolarHBondContact CD2-OG1 3.32Å; T290-T292 VanDerWaalsContact C-N 3.29Å; T290-T292 WeakPolarHBondContact CG2-O 3.48Å; T290-T292 PolarHBondContact O-N 2.76Å; T290-T292 PolarHBondContact OG1-O 3.08Å; T292-L323 HydrophobicContact CG2-CD2 3.63Å; T292-S326 WeakPolarHBondContact CA-OG 3.11Å; T292-F327 HydrophobicContact CG2-CE1 4.1Å
293M96.4Very high95.2Very high4 Ų428 Ų282%0.0214%0.14CC..  trans-106155.2169.863.1178.193.800110.9V235 F267 G295 F298 N322 I325 S326 I329 L336V235-M293 HydrophobicContact CG1-CE 4.12Å; F267-M293 WeakPolarHBondContact CD2-O 3.27Å; M293-G295 PolarHBondContact O-N 3.25Å; M293-F298 HydrophobicContact SD-CB 4.36Å; M293-F298 HydrophobicContact SD-CD1 4.01Å; M293-F298 HydrophobicContact SD-CE1 4.46Å; M293-F298 HydrophobicContact SD-CG 4.08Å; M293-N322 HydrophobicContact CG-CB 4.47Å; M293-N322 PolarHBondContact O-ND2 3.01Å; M293-I325 HydrophobicContact CE-CG2 3.68Å; M293-I325 HydrophobicContact SD-CG2 4.08Å; M293-S326 PolarHBondContact N-OG 3.28Å; M293-S326 VanDerWaalsContact N-OG 3.12Å; M293-I329 HydrophobicContact CE-CD1 3.63Å; M293-L336 HydrophobicContact CB-CD1 4.43Å; M293-L336 HydrophobicContact CB-CD2 4.02Å; M293-L336 HydrophobicContact CE-CD1 3.59Å; M293-L336 HydrophobicContact CE-CD2 3.95Å; M293-L336 HydrophobicContact CE-CG 4.42Å; M293-L336 HydrophobicContact CG-CD2 4.33Å
294A92.2Very high95.4Very high35 Ų3524.9 Ų24.929%0.28912%0.123SC..  trans-62.2-30.5168.300000111.4I240 F267 W269 N322I240-A294 HydrophobicContact CD1-CB 3.79Å; F267-A294 HydrophobicContact CE1-CB 3.99Å; F267-A294 HydrophobicContact CE2-CB 4.4Å; F267-A294 HydrophobicContact CZ-CB 3.9Å; W269-A294 HydrophobicContact CH2-CB 4.48Å; W269-A294 HydrophobicContact CZ2-CB 4.06Å; A294-N322 PolarHBondContact O-ND2 2.75Å
295G86Confident95.5Very high2 Ų220 Ų202%0.02111%0.105CC..SBendtrans94-16.9171.700000114.9R193 M293R193-G295 VanDerWaalsContact CZ-O 3.24Å; R193-G295 PolarHBondContact NH1-O 2.99Å; R193-G295 PolarHBondContact NH2-O 2.98Å; M293-G295 PolarHBondContact O-N 3.25Å
296G86.4Confident95.6Very high10 Ų1024.5 Ų24.510%0.10312%0.124CC..SBendtrans-64.9-48.6175.700000113.4R193 D211R193-G296 VanDerWaalsContact NH2-CA 3.3Å; R193-G296 PolarHBondContact NH2-O 3.3Å; D211-G296 VanDerWaalsContact OD2-CA 3.29Å; D211-G296 WeakPolarHBondContact OD2-CA 3.49Å
297L96.8Very high95.6Very high3 Ų325.6 Ų25.62%0.01613%0.128CC..SBendtrans-127.6116.7-167.5-62.577.5000110.9F209 L210 C237 P238 I240 V344F209-L297 WeakPolarHBondContact O-CA 3.34Å; L210-L297 HydrophobicContact CD2-CB 4.24Å; L210-L297 HydrophobicContact CD2-CD2 3.8Å; L210-L297 HydrophobicContact CD2-CG 3.9Å; C237-L297 PolarHBondContact SG-O 3.13Å; P238-L297 HydrophobicContact CG-CB 3.97Å; P238-L297 HydrophobicContact CG-CD2 4.24Å; I240-L297 HydrophobicContact CD1-CD1 4.22Å; L297-V344 HydrophobicContact CD2-CB 3.58Å; L297-V344 HydrophobicContact CD2-CG1 3.34Å; L297-V344 HydrophobicContact CD2-CG2 4.34Å
298F98.4Very high95.6Very high1 Ų124.7 Ų24.70%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-163.8157.2174.768.3-78.8000111.8F209 V235 V236 M293 I300 Y311F209-F298 HydrophobicContact CB-CD1 4.16Å; F209-F298 HydrophobicContact CB-CE1 3.94Å; F209-F298 HydrophobicContact CB-CZ 4.45Å; F209-F298 HydrophobicContact CD2-CD1 4.21Å; F209-F298 HydrophobicContact CD2-CD2 4.15Å; F209-F298 AromaticContact CD2-CE1 3.57Å; F209-F298 HydrophobicContact CD2-CE1 3.57Å; F209-F298 AromaticContact CD2-CE2 3.53Å; F209-F298 HydrophobicContact CD2-CE2 3.53Å; F209-F298 HydrophobicContact CD2-CG 4.46Å; F209-F298 AromaticContact CD2-CZ 3.2Å; F209-F298 HydrophobicContact CD2-CZ 3.2Å; F209-F298 HydrophobicContact CE2-CE1 4.33Å; F209-F298 AromaticContact CE2-CE2 3.8Å; F209-F298 HydrophobicContact CE2-CE2 3.8Å; F209-F298 AromaticContact CE2-CZ 3.55Å; F209-F298 HydrophobicContact CE2-CZ 3.55Å; F209-F298 AromaticContact CG-CE1 3.94Å; F209-F298 HydrophobicContact CG-CE1 3.94Å; F209-F298 AromaticContact CG-CZ 3.99Å; F209-F298 HydrophobicContact CG-CZ 3.99Å; F209-F298 PolarHBondContact N-O 2.88Å; F209-F298 PolarHBondContact O-N 3.25Å; V235-F298 HydrophobicContact CG1-CB 4.5Å; V235-F298 HydrophobicContact CG1-CD2 3.78Å; V236-F298 CarbonylContact O-C 3.59Å; V236-F298 VanDerWaalsContact O-CA 3.23Å; V236-F298 WeakPolarHBondContact O-CA 3.41Å; V236-F298 WeakPolarHBondContact O-CB 3.38Å; M293-F298 HydrophobicContact SD-CB 4.36Å; M293-F298 HydrophobicContact SD-CD1 4.01Å; M293-F298 HydrophobicContact SD-CE1 4.46Å; M293-F298 HydrophobicContact SD-CG 4.08Å; F298-I300 HydrophobicContact CD2-CB 4.28Å; F298-I300 HydrophobicContact CD2-CG2 4.28Å; F298-I300 HydrophobicContact CE2-CB 4.23Å; F298-I300 HydrophobicContact CE2-CG2 3.85Å; F298-Y311 VanDerWaalsContact CE1-OH 3.29Å; F298-Y311 WeakPolarHBondContact CE1-OH 3.43Å; F298-Y311 HydrophobicContact CZ-CE2 4.31Å; F298-Y311 VanDerWaalsContact CZ-OH 3.32Å; F298-Y311 WeakPolarHBondContact CZ-OH 3.25Å
299S98.5Very high95.5Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-115.9140.7171.4-54.40000110.1I207 T208 V236I207-S299 WeakPolarHBondContact O-CA 3.15Å; T208-S299 WeakPolarHBondContact CB-OG 3.3Å; T208-S299 VanDerWaalsContact CG2-OG 3.3Å; T208-S299 WeakPolarHBondContact CG2-OG 3.5Å; T208-S299 WeakPolarHBondContact OG1-CB 3.44Å; T208-S299 PolarHBondContact OG1-OG 3.21Å; V236-S299 PolarHBondContact N-O 3.34Å; V236-S299 PolarHBondContact O-N 2.78Å
300I98.2Very high95.4Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-144.9143.3-178.9-171.9164.9000110.5V206 I207 F209 V235 F298 R302 Y304 F305 I308V206-I300 WeakPolarHBondContact CA-O 3.05Å; I207-I300 HydrophobicContact CB-CG2 4.5Å; I207-I300 PolarHBondContact N-O 3.27Å; I207-I300 PolarHBondContact O-N 3.33Å; F209-I300 HydrophobicContact CE2-CG2 4.23Å; V235-I300 HydrophobicContact CG1-CB 4.3Å; V235-I300 HydrophobicContact CG1-CD1 4.38Å; V235-I300 HydrophobicContact CG2-CB 4.47Å; V235-I300 HydrophobicContact CG2-CD1 3.52Å; V235-I300 HydrophobicContact CG2-CG1 3.83Å; F298-I300 HydrophobicContact CD2-CB 4.28Å; F298-I300 HydrophobicContact CD2-CG2 4.28Å; F298-I300 HydrophobicContact CE2-CB 4.23Å; F298-I300 HydrophobicContact CE2-CG2 3.85Å; I300-R302 PolarHBondContact O-N 3.16Å; I300-Y304 HydrophobicContact CD1-CD1 4.03Å; I300-Y304 HydrophobicContact CD1-CE1 4.45Å; I300-Y304 HydrophobicContact CG1-CD1 4.08Å; I300-F305 HydrophobicContact CD1-CB 3.9Å; I300-F305 HydrophobicContact CD1-CD2 3.89Å; I300-F305 HydrophobicContact CD1-CG 4.33Å; I300-F305 HydrophobicContact CG1-CB 4.12Å; I300-F305 HydrophobicContact CG2-CB 4Å; I300-F305 HydrophobicContact CG2-CD2 4.3Å; I300-F305 HydrophobicContact CG2-CG 4.18Å; I300-I308 HydrophobicContact CD1-CD1 4.11Å
301D97.8Very high95.3Very high22 Ų2222.1 Ų22.112%0.11812%0.121CC..EExtended strand (participates in β ladder)trans-58.9131.8168.8178.4-86.1000110.4I228 K232 D303 Y304 F305I228-D301 HydrophobicContact CG2-CB 3.88Å; K232-D301 HydrophobicContact CB-CB 4.22Å; K232-D301 WeakPolarHBondContact O-CB 3.4Å; D301-D303 PolarHBondContact O-N 3.39Å; D301-D303 PolarHBondContact OD1-N 2.91Å; D301-Y304 PolarHBondContact O-N 2.97Å; D301-Y304 PolarHBondContact OD1-N 3.49Å; D301-F305 WeakPolarHBondContact O-CB 3.44Å; D301-F305 PolarHBondContact O-N 2.92Å
302R95.3Very high95.2Very high47 Ų4722.2 Ų22.218%0.17712%0.122CC..Hα-helixtrans-62.4-44.4-173.4-180-175.773.3-162.4-6111.8T201 G202 C204 Q205 I207 I300 F305 Q306T201-R302 PolarHBondContact O-NH1 2.66Å; G202-R302 VanDerWaalsContact CA-NH1 3.31Å; G202-R302 PolarHBondContact O-NH1 2.7Å; C204-R302 PolarHBondContact O-NH1 2.96Å; Q205-R302 WeakPolarHBondContact O-CB 3.41Å; Q205-R302 PolarHBondContact O-N 3.43Å; I207-R302 HydrophobicContact CD1-CB 4.15Å; I207-R302 HydrophobicContact CD1-CG 3.85Å; I207-R302 HydrophobicContact CG1-CB 4.19Å; I207-R302 HydrophobicContact CG1-CG 4.29Å; I300-R302 PolarHBondContact O-N 3.16Å; R302-F305 PolarHBondContact O-N 2.84Å; R302-Q306 WeakPolarHBondContact O-CG 3.44Å; R302-Q306 PolarHBondContact O-N 3.17Å; R302-Q306 VanDerWaalsContact O-N 3.12Å
303D95.4Very high94.9Very high87 Ų8724.5 Ų24.547%0.46514%0.14SC..Hα-helixtrans-72.8-37.9-175.5-64.1-7.2000109.4D301 Q306 E307D301-D303 PolarHBondContact O-N 3.39Å; D301-D303 PolarHBondContact OD1-N 2.91Å; D303-Q306 PolarHBondContact O-N 2.93Å; D303-E307 WeakPolarHBondContact O-CB 3.38Å; D303-E307 PolarHBondContact O-N 2.87Å
304Y97.2Very high94.6Very high1 Ų125.3 Ų25.30%0.00415%0.149CC..Hα-helixtrans-62.7-41.8171.2-175.9-121.4000112.3K232 K233 V235 I300 D301 Q306 E307 I308 G334K232-Y304 WeakPolarHBondContact O-CD1 3.29Å; K233-Y304 HydrophobicContact CB-CD2 4.34Å; K233-Y304 HydrophobicContact CB-CE1 4.29Å; K233-Y304 HydrophobicContact CB-CE2 3.93Å; K233-Y304 HydrophobicContact CD-CE2 4.04Å; K233-Y304 HydrophobicContact CG-CD2 3.87Å; K233-Y304 HydrophobicContact CG-CE2 3.7Å; K233-Y304 WeakPolarHBondContact O-CE1 3.33Å; V235-Y304 HydrophobicContact CG2-CD1 4.41Å; V235-Y304 HydrophobicContact CG2-CE1 4Å; I300-Y304 HydrophobicContact CD1-CD1 4.03Å; I300-Y304 HydrophobicContact CD1-CE1 4.45Å; I300-Y304 HydrophobicContact CG1-CD1 4.08Å; D301-Y304 PolarHBondContact O-N 2.97Å; D301-Y304 PolarHBondContact OD1-N 3.49Å; Y304-Q306 VanDerWaalsContact C-N 3.26Å; Y304-Q306 PolarHBondContact O-N 3.48Å; Y304-E307 WeakPolarHBondContact O-CB 3.28Å; Y304-E307 PolarHBondContact O-N 3.27Å; Y304-I308 HydrophobicContact CD1-CD1 4.49Å; Y304-I308 HydrophobicContact CD2-CG2 3.93Å; Y304-I308 HydrophobicContact CE1-CD1 4.07Å; Y304-I308 HydrophobicContact CE1-CG2 4.24Å; Y304-I308 HydrophobicContact CE2-CG2 3.35Å; Y304-I308 WeakPolarHBondContact O-CG1 3.42Å; Y304-I308 PolarHBondContact O-N 2.93Å; Y304-G334 VanDerWaalsContact OH-CA 3.3Å; Y304-G334 WeakPolarHBondContact OH-CA 3.2Å
305F96.5Very high94.7Very high2 Ų223.6 Ų23.61%0.00914%0.136CC..Hα-helixtrans-58.9-38.5175.5-176.3-124.2000111.8L194 A197 I207 F209 I300 D301 R302 T310 Y311 I325L194-F305 HydrophobicContact CD2-CE1 4.49Å; L194-F305 HydrophobicContact CD2-CZ 4.32Å; A197-F305 HydrophobicContact CB-CD1 4.23Å; A197-F305 HydrophobicContact CB-CE1 3.74Å; I207-F305 HydrophobicContact CD1-CD1 4.33Å; F209-F305 HydrophobicContact CZ-CE1 4.29Å; F209-F305 HydrophobicContact CZ-CZ 4.36Å; I300-F305 HydrophobicContact CD1-CB 3.9Å; I300-F305 HydrophobicContact CD1-CD2 3.89Å; I300-F305 HydrophobicContact CD1-CG 4.33Å; I300-F305 HydrophobicContact CG1-CB 4.12Å; I300-F305 HydrophobicContact CG2-CB 4Å; I300-F305 HydrophobicContact CG2-CD2 4.3Å; I300-F305 HydrophobicContact CG2-CG 4.18Å; D301-F305 WeakPolarHBondContact O-CB 3.44Å; D301-F305 PolarHBondContact O-N 2.92Å; R302-F305 PolarHBondContact O-N 2.84Å; F305-T310 HydrophobicContact CD1-CG2 3.84Å; F305-T310 HydrophobicContact CE1-CG2 3.75Å; F305-T310 HydrophobicContact CG-CG2 4.36Å; F305-T310 HydrophobicContact CZ-CG2 4.22Å; F305-T310 VanDerWaalsContact O-CA 3.26Å; F305-T310 WeakPolarHBondContact O-CA 3.3Å; F305-T310 WeakPolarHBondContact O-CG2 3.44Å; F305-T310 PolarHBondContact O-N 3.11Å; F305-Y311 HydrophobicContact CE2-CD2 4.28Å; F305-Y311 HydrophobicContact CE2-CE2 4.37Å; F305-Y311 AromaticContact CZ-CD2 3.87Å; F305-Y311 HydrophobicContact CZ-CD2 3.87Å; F305-Y311 HydrophobicContact CZ-CE2 4.17Å; F305-I325 HydrophobicContact CD2-CD1 4.42Å; F305-I325 HydrophobicContact CE2-CD1 3.94Å
306Q94.8Very high94.8Very high113 Ų11325 Ų2553%0.52814%0.143SC..Hα-helixtrans-71.3-42.7173.8-67.21795.600112.5R302 D303 Y304 I308 G309 T310R302-Q306 WeakPolarHBondContact O-CG 3.44Å; R302-Q306 PolarHBondContact O-N 3.17Å; R302-Q306 VanDerWaalsContact O-N 3.12Å; D303-Q306 PolarHBondContact O-N 2.93Å; Y304-Q306 VanDerWaalsContact C-N 3.26Å; Y304-Q306 PolarHBondContact O-N 3.48Å; Q306-I308 VanDerWaalsContact C-N 3.31Å; Q306-I308 PolarHBondContact O-N 2.75Å; Q306-G309 PolarHBondContact O-N 3.05Å; Q306-T310 HydrophobicContact CG-CG2 4.49Å
307E95.4Very high94.7Very high83 Ų8325.6 Ų25.639%0.38814%0.143SC..Hα-helixtrans-56.1-44.6178.5-174.9-175.5149.500111.4K233 D303 Y304 G309K233-E307 IonicContact NZ-OE1 2.76Å; D303-E307 WeakPolarHBondContact O-CB 3.38Å; D303-E307 PolarHBondContact O-N 2.87Å; Y304-E307 WeakPolarHBondContact O-CB 3.28Å; Y304-E307 PolarHBondContact O-N 3.27Å; E307-G309 PolarHBondContact O-N 3.02Å
308I96.1Very high94.2Very high2 Ų231 Ų311%0.0116%0.164CC..THydrogen-bonded Turntrans-81.911.7177.372.2179.7000113.3I300 Y304 Q306 R328 I329I300-I308 HydrophobicContact CD1-CD1 4.11Å; Y304-I308 HydrophobicContact CD1-CD1 4.49Å; Y304-I308 HydrophobicContact CD2-CG2 3.93Å; Y304-I308 HydrophobicContact CE1-CD1 4.07Å; Y304-I308 HydrophobicContact CE1-CG2 4.24Å; Y304-I308 HydrophobicContact CE2-CG2 3.35Å; Y304-I308 WeakPolarHBondContact O-CG1 3.42Å; Y304-I308 PolarHBondContact O-N 2.93Å; Q306-I308 VanDerWaalsContact C-N 3.31Å; Q306-I308 PolarHBondContact O-N 2.75Å; I308-R328 HydrophobicContact CB-CG 4.46Å; I308-R328 WeakPolarHBondContact O-CD 3.45Å; I308-R328 PolarHBondContact O-NE 3.01Å; I308-I329 HydrophobicContact CD1-CG1 3.97Å
309G94.9Very high93.7Very high16 Ų1631.2 Ų31.217%0.16517%0.165CC..THydrogen-bonded Turntrans75.524.4173.500000115.2Q306 E307 Y311 R401Q306-G309 PolarHBondContact O-N 3.05Å; E307-G309 PolarHBondContact O-N 3.02Å; G309-Y311 PolarHBondContact O-N 2.88Å; G309-R401 PolarHBondContact O-NH1 3.19Å
310T95Very high93.4Very high35 Ų3531.5 Ų31.522%0.21517%0.169CC..  trans57.7-122.4173.167.20000113.9L194 F305 Q306 R328L194-T310 VanDerWaalsContact CD2-CB 3.44Å; L194-T310 HydrophobicContact CD2-CG2 4.35Å; L194-T310 VanDerWaalsContact CD2-OG1 3.27Å; L194-T310 WeakPolarHBondContact CD2-OG1 3.27Å; F305-T310 HydrophobicContact CD1-CG2 3.84Å; F305-T310 HydrophobicContact CE1-CG2 3.75Å; F305-T310 HydrophobicContact CG-CG2 4.36Å; F305-T310 HydrophobicContact CZ-CG2 4.22Å; F305-T310 VanDerWaalsContact O-CA 3.26Å; F305-T310 WeakPolarHBondContact O-CA 3.3Å; F305-T310 WeakPolarHBondContact O-CG2 3.44Å; F305-T310 PolarHBondContact O-N 3.11Å; Q306-T310 HydrophobicContact CG-CG2 4.49Å; T310-R328 PolarHBondContact O-NH2 3.07Å
311Y95.6Very high93.2Very high0 Ų031.7 Ų31.70%017%0.17CC..SBendtrans-108.4159.7168-82.7-67.4000110.5I190 R193 L194 F298 F305 G309 A313 E321 I325 R401I190-Y311 HydrophobicContact CG2-CD1 4.45Å; I190-Y311 HydrophobicContact CG2-CG 3.98Å; R193-Y311 HydrophobicContact CB-CE2 4.35Å; R193-Y311 PolarHBondContact NH1-OH 3.13Å; L194-Y311 HydrophobicContact CD2-CD2 4.4Å; F298-Y311 VanDerWaalsContact CE1-OH 3.29Å; F298-Y311 WeakPolarHBondContact CE1-OH 3.43Å; F298-Y311 HydrophobicContact CZ-CE2 4.31Å; F298-Y311 VanDerWaalsContact CZ-OH 3.32Å; F298-Y311 WeakPolarHBondContact CZ-OH 3.25Å; F305-Y311 HydrophobicContact CE2-CD2 4.28Å; F305-Y311 HydrophobicContact CE2-CE2 4.37Å; F305-Y311 AromaticContact CZ-CD2 3.87Å; F305-Y311 HydrophobicContact CZ-CD2 3.87Å; F305-Y311 HydrophobicContact CZ-CE2 4.17Å; G309-Y311 PolarHBondContact O-N 2.88Å; Y311-A313 PolarHBondContact O-N 3.14Å; Y311-A313 VanDerWaalsContact O-N 3.13Å; Y311-E321 HydrophobicContact CD1-CB 4.1Å; Y311-E321 HydrophobicContact CE1-CB 3.97Å; Y311-E321 HydrophobicContact CE1-CG 3.98Å; Y311-I325 HydrophobicContact CD1-CB 4.42Å; Y311-I325 HydrophobicContact CD1-CD1 4.35Å; Y311-I325 HydrophobicContact CE1-CB 3.96Å; Y311-I325 HydrophobicContact CE1-CD1 3.88Å; Y311-I325 HydrophobicContact CE1-CG1 4.49Å; Y311-I325 HydrophobicContact CE1-CG2 3.96Å; Y311-R401 PolarHBondContact O-NH1 3.17Å; Y311-R401 PolarHBondContact O-NH2 3.38Å
312D94.9Very high93.1Very high4 Ų431.4 Ų31.42%0.02117%0.168CC..  trans-70.7102.9168.5-176.516.6000111.6G314 M315 R370 R401D312-G314 PolarHBondContact O-N 2.94Å; D312-G314 VanDerWaalsContact O-N 3.11Å; D312-G314 PolarHBondContact OD1-N 3.31Å; D312-M315 HydrophobicContact CB-CG 4.07Å; D312-M315 HydrophobicContact CB-SD 4.32Å; D312-M315 WeakPolarHBondContact O-CB 3.45Å; D312-M315 PolarHBondContact O-N 3.47Å; D312-R370 IonicContact OD1-CZ 3.85Å; D312-R370 IonicContact OD1-NE 2.8Å; D312-R370 IonicContact OD1-NH2 3.55Å; D312-R370 PolarHBondContact OD1-NH2 2.88Å; D312-R370 IonicContact OD2-CZ 2.85Å; D312-R370 VanDerWaalsContact OD2-CZ 3.24Å; D312-R370 IonicContact OD2-NE 3.82Å; D312-R370 PolarHBondContact OD2-NE 3.23Å; D312-R370 IonicContact OD2-NH2 2.67Å; D312-R370 PolarHBondContact OD2-NH2 3.2Å; D312-R401 HydrophobicContact CB-CG 4.41Å; D312-R401 IonicContact OD1-NE 2.66Å; D312-R401 PolarHBondContact OD1-NE 3.05Å
313A90.8Very high93.2Very high47 Ų4729.2 Ų29.239%0.38816%0.16SC..THydrogen-bonded Turntrans-63-14.117800000114.1R191 L194 Y311 M315R191-A313 PolarHBondContact NE-O 3.2Å; R191-A313 VanDerWaalsContact NE-O 3.14Å; R191-A313 PolarHBondContact NH2-O 2.98Å; L194-A313 HydrophobicContact CD1-CB 4.17Å; Y311-A313 PolarHBondContact O-N 3.14Å; Y311-A313 VanDerWaalsContact O-N 3.13Å; A313-M315 VanDerWaalsContact C-N 3.31Å
314G91.5Very high93.3Very high21 Ų2125.1 Ų25.122%0.21614%0.138CC..THydrogen-bonded Turntrans-79.8-10173.300000114.2D312D312-G314 PolarHBondContact O-N 2.94Å; D312-G314 VanDerWaalsContact O-N 3.11Å; D312-G314 PolarHBondContact OD1-N 3.31Å
315M92.6Very high93.3Very high0 Ų025.1 Ų25.10%014%0.138CC..SBendtrans-77.4144.4170.8-68.3-176.6164.500111.3I190 R191 D312 A313 E321 E324 N367 L371I190-M315 HydrophobicContact CD1-CB 3.32Å; I190-M315 HydrophobicContact CD1-CG 4.33Å; I190-M315 HydrophobicContact CD1-SD 4.13Å; R191-M315 PolarHBondContact NH2-O 3.39Å; D312-M315 HydrophobicContact CB-CG 4.07Å; D312-M315 HydrophobicContact CB-SD 4.32Å; D312-M315 WeakPolarHBondContact O-CB 3.45Å; D312-M315 PolarHBondContact O-N 3.47Å; A313-M315 VanDerWaalsContact C-N 3.31Å; M315-E321 HydrophobicContact SD-CB 3.94Å; M315-E324 HydrophobicContact CE-CB 3.68Å; M315-E324 HydrophobicContact CE-CG 3.69Å; M315-N367 VanDerWaalsContact CA-OD1 3.3Å; M315-N367 WeakPolarHBondContact CA-OD1 3.39Å; M315-N367 HydrophobicContact CB-CB 4.48Å; M315-N367 HydrophobicContact CE-CB 4.39Å; M315-N367 HydrophobicContact CG-CB 4.15Å; M315-N367 HydrophobicContact SD-CB 4.43Å; M315-L371 HydrophobicContact CE-CB 3.91Å
316D87.9Confident93.4Very high32 Ų3225 Ų2517%0.17114%0.137CC..  trans-111.5138.5-175.4-66.8-45.1000112R191 W318 I363 K366 N367R191-D316 IonicContact CZ-OD1 2.88Å; R191-D316 VanDerWaalsContact CZ-OD1 3.28Å; R191-D316 IonicContact NH1-OD1 2.72Å; R191-D316 PolarHBondContact NH1-OD1 3.34Å; R191-D316 IonicContact NH2-OD1 2.66Å; R191-D316 PolarHBondContact NH2-OD1 2.91Å; D316-W318 VanDerWaalsContact C-N 3.34Å; D316-W318 PolarHBondContact O-N 2.91Å; D316-I363 HydrophobicContact CB-CG2 4.16Å; D316-I363 WeakPolarHBondContact O-CG2 3.43Å; D316-K366 WeakPolarHBondContact OD2-CE 3.35Å; D316-K366 IonicContact OD2-NZ 3.86Å; D316-K366 PolarHBondContact OD2-NZ 2.85Å; D316-N367 PolarHBondContact N-OD1 3.22Å; D316-N367 PolarHBondContact O-ND2 3.33Å
317I84.8Confident93.6Very high22 Ų2219.6 Ų19.611%0.11311%0.112CC..BIsolated β-bridgetrans57-80.4170.3-50.2-167.8000114.8L189 F356 P357 I363L189-I317 WeakPolarHBondContact CB-O 3.38Å; L189-I317 PolarHBondContact N-O 2.86Å; I317-F356 HydrophobicContact CG2-CD1 4.05Å; I317-F356 HydrophobicContact CG2-CE1 3.87Å; I317-P357 HydrophobicContact CD1-CG 4.28Å; I317-I363 HydrophobicContact CB-CG2 4.33Å; I317-I363 HydrophobicContact CD1-CD1 3.72Å; I317-I363 HydrophobicContact CG1-CD1 4.27Å
318W87.8Confident93.7Very high117 Ų11715.7 Ų15.744%0.4439%0.094SC..SBendtrans-160.8145.3-171.3-178.187000111.2D316 F356 I364D316-W318 VanDerWaalsContact C-N 3.34Å; D316-W318 PolarHBondContact O-N 2.91Å; W318-F356 HydrophobicContact CB-CE1 4.31Å; W318-I364 HydrophobicContact CE3-CD1 4.13Å; W318-I364 HydrophobicContact CE3-CG1 4.46Å; W318-I364 HydrophobicContact CZ3-CD1 3.81Å
319G87.8Confident93.8Very high4 Ų415.6 Ų15.64%0.0419%0.093CC..SBendtrans109.7132169.600000112.3E321 N367G319-E321 VanDerWaalsContact C-N 3.26Å; G319-E321 VanDerWaalsContact CA-OE2 3.28Å; G319-E321 WeakPolarHBondContact CA-OE2 3.29Å; G319-E321 PolarHBondContact N-OE2 2.94Å; G319-E321 PolarHBondContact O-N 3.23Å; G319-N367 WeakPolarHBondContact O-CB 3.44Å; G319-N367 PolarHBondContact O-ND2 2.85Å
320G90.6Very high94Very high7 Ų715.7 Ų15.77%0.0729%0.089CC..SBendtrans84.6-18.7175.900000114.6N322 L323 E324 L371G320-N322 VanDerWaalsContact C-N 3.27Å; G320-N322 PolarHBondContact O-N 3.23Å; G320-L323 PolarHBondContact O-N 2.74Å; G320-E324 WeakPolarHBondContact O-CB 3.44Å; G320-E324 PolarHBondContact O-N 3.47Å; G320-L371 WeakPolarHBondContact O-CD2 3.46Å
321E94.4Very high94.1Very high4 Ų414.1 Ų14.12%0.0198%0.079CC..Hα-helixtrans-63.8-34.3-177.678.1-71.9173.500112.7I190 Y311 M315 G319 E324 I325I190-E321 HydrophobicContact CD1-CB 3.68Å; I190-E321 HydrophobicContact CD1-CG 4.22Å; I190-E321 HydrophobicContact CG1-CB 3.89Å; I190-E321 HydrophobicContact CG1-CG 3.95Å; Y311-E321 HydrophobicContact CD1-CB 4.1Å; Y311-E321 HydrophobicContact CE1-CB 3.97Å; Y311-E321 HydrophobicContact CE1-CG 3.98Å; M315-E321 HydrophobicContact SD-CB 3.94Å; G319-E321 VanDerWaalsContact C-N 3.26Å; G319-E321 VanDerWaalsContact CA-OE2 3.28Å; G319-E321 WeakPolarHBondContact CA-OE2 3.29Å; G319-E321 PolarHBondContact N-OE2 2.94Å; G319-E321 PolarHBondContact O-N 3.23Å; E321-E324 PolarHBondContact O-N 2.62Å; E321-I325 VanDerWaalsContact O-CG2 3.3Å; E321-I325 WeakPolarHBondContact O-CG2 3.26Å; E321-I325 PolarHBondContact O-N 3.24Å
322N95.8Very high94.3Very high16 Ų1615 Ų159%0.0869%0.085CC..Hα-helixtrans-67.9-38.4178.967.3-53.6000111.4M293 A294 G320 I325 S326M293-N322 HydrophobicContact CG-CB 4.47Å; M293-N322 PolarHBondContact O-ND2 3.01Å; A294-N322 PolarHBondContact O-ND2 2.75Å; G320-N322 VanDerWaalsContact C-N 3.27Å; G320-N322 PolarHBondContact O-N 3.23Å; N322-I325 WeakPolarHBondContact O-CG2 3.17Å; N322-S326 VanDerWaalsContact O-CB 3.32Å; N322-S326 WeakPolarHBondContact O-CB 3.44Å; N322-S326 PolarHBondContact O-N 3.02Å; N322-S326 PolarHBondContact O-OG 2.98Å
323L97.3Very high94.4Very high0 Ų017.1 Ų17.10%011%0.108CC..Hα-helixtrans-71.9-44174.5-61.9-174.7000111.1F261 L265 T292 G320 I325 S326 F327 L371F261-L323 HydrophobicContact CB-CD1 4.21Å; F261-L323 HydrophobicContact CB-CD2 3.85Å; F261-L323 HydrophobicContact CG-CD2 4.41Å; L265-L323 HydrophobicContact CB-CD1 3.93Å; L265-L323 HydrophobicContact CD2-CD1 4.36Å; L265-L323 WeakPolarHBondContact O-CD1 3.34Å; T292-L323 HydrophobicContact CG2-CD2 3.63Å; G320-L323 PolarHBondContact O-N 2.74Å; L323-I325 PolarHBondContact O-N 2.93Å; L323-S326 WeakPolarHBondContact O-CB 3.12Å; L323-S326 PolarHBondContact O-N 2.93Å; L323-F327 HydrophobicContact CB-CE2 4.4Å; L323-F327 HydrophobicContact CB-CZ 4.28Å; L323-F327 WeakPolarHBondContact O-CB 3.36Å; L323-F327 WeakPolarHBondContact O-CD1 3.41Å; L323-F327 WeakPolarHBondContact O-CG 3.33Å; L323-F327 PolarHBondContact O-N 3.48Å; L323-L371 HydrophobicContact CB-CD2 4.29Å
324E97.8Very high94.7Very high2 Ų215.1 Ų15.11%0.0099%0.092CC..Hα-helixtrans-56.9-51.1179-169.2-84.4158.500112M315 G320 E321 S326 F327 R328 L371 W375M315-E324 HydrophobicContact CE-CB 3.68Å; M315-E324 HydrophobicContact CE-CG 3.69Å; G320-E324 WeakPolarHBondContact O-CB 3.44Å; G320-E324 PolarHBondContact O-N 3.47Å; E321-E324 PolarHBondContact O-N 2.62Å; E324-S326 VanDerWaalsContact C-N 3.34Å; E324-S326 PolarHBondContact O-N 2.79Å; E324-F327 PolarHBondContact O-N 2.55Å; E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 PolarHBondContact O-N 2.92Å; E324-R328 IonicContact OE1-CZ 3.93Å; E324-R328 IonicContact OE1-NH1 3.69Å; E324-R328 PolarHBondContact OE1-NH1 3.38Å; E324-R328 IonicContact OE1-NH2 3.77Å; E324-R328 IonicContact OE2-CZ 2.92Å; E324-R328 IonicContact OE2-NH1 3.07Å; E324-R328 PolarHBondContact OE2-NH1 2.79Å; E324-R328 IonicContact OE2-NH2 3.55Å; E324-R328 PolarHBondContact OE2-NH2 2.91Å; E324-L371 HydrophobicContact CB-CB 3.89Å; E324-L371 HydrophobicContact CG-CB 3.93Å; E324-W375 PolarHBondContact OE1-NE1 3.25Å
325I97.5Very high95Very high0 Ų015.3 Ų15.30%09%0.089CC..Hα-helixtrans-67.9-35.1179-162.6173.2000111.6M293 F305 Y311 E321 N322 L323 R328 I329M293-I325 HydrophobicContact CE-CG2 3.68Å; M293-I325 HydrophobicContact SD-CG2 4.08Å; F305-I325 HydrophobicContact CD2-CD1 4.42Å; F305-I325 HydrophobicContact CE2-CD1 3.94Å; Y311-I325 HydrophobicContact CD1-CB 4.42Å; Y311-I325 HydrophobicContact CD1-CD1 4.35Å; Y311-I325 HydrophobicContact CE1-CB 3.96Å; Y311-I325 HydrophobicContact CE1-CD1 3.88Å; Y311-I325 HydrophobicContact CE1-CG1 4.49Å; Y311-I325 HydrophobicContact CE1-CG2 3.96Å; E321-I325 VanDerWaalsContact O-CG2 3.3Å; E321-I325 WeakPolarHBondContact O-CG2 3.26Å; E321-I325 PolarHBondContact O-N 3.24Å; N322-I325 WeakPolarHBondContact O-CG2 3.17Å; L323-I325 PolarHBondContact O-N 2.93Å; I325-R328 PolarHBondContact O-N 3.03Å; I325-I329 HydrophobicContact CG1-CD1 3.91Å; I325-I329 HydrophobicContact CG1-CG1 4.28Å; I325-I329 WeakPolarHBondContact O-CB 3.48Å; I325-I329 VanDerWaalsContact O-CD1 3.32Å; I325-I329 WeakPolarHBondContact O-CD1 3.45Å; I325-I329 WeakPolarHBondContact O-CG1 3.42Å; I325-I329 PolarHBondContact O-N 3.47Å
326S98.3Very high95.3Very high0 Ų015.3 Ų15.30%09%0.089CC..Hα-helixtrans-61.9-47.4175.9-61.40000111.7T292 M293 N322 L323 E324 R328 I329 W330T292-S326 WeakPolarHBondContact CA-OG 3.11Å; M293-S326 PolarHBondContact N-OG 3.28Å; M293-S326 VanDerWaalsContact N-OG 3.12Å; N322-S326 VanDerWaalsContact O-CB 3.32Å; N322-S326 WeakPolarHBondContact O-CB 3.44Å; N322-S326 PolarHBondContact O-N 3.02Å; N322-S326 PolarHBondContact O-OG 2.98Å; L323-S326 WeakPolarHBondContact O-CB 3.12Å; L323-S326 PolarHBondContact O-N 2.93Å; E324-S326 VanDerWaalsContact C-N 3.34Å; E324-S326 PolarHBondContact O-N 2.79Å; S326-R328 VanDerWaalsContact C-N 3.34Å; S326-R328 PolarHBondContact O-N 3.44Å; S326-I329 PolarHBondContact O-N 2.9Å; S326-W330 PolarHBondContact O-N 3.45Å
327F98.3Very high95.8Very high0 Ų013.8 Ų13.80%08%0.081CC..Hα-helixtrans-61.8-43.9177.3-66.4-9.2000111F261 T292 L323 E324 Q331 L371 W375 M376 F413 Y416F261-F327 AromaticContact CD1-CE1 3.97Å; F261-F327 HydrophobicContact CD1-CE1 3.97Å; F261-F327 HydrophobicContact CD1-CZ 4.1Å; F261-F327 HydrophobicContact CD2-CZ 4.33Å; F261-F327 AromaticContact CE1-CE1 3.59Å; F261-F327 HydrophobicContact CE1-CE1 3.59Å; F261-F327 AromaticContact CE1-CZ 3.77Å; F261-F327 HydrophobicContact CE1-CZ 3.77Å; F261-F327 HydrophobicContact CE2-CZ 4.04Å; F261-F327 HydrophobicContact CG-CZ 4.4Å; F261-F327 HydrophobicContact CZ-CE1 4.02Å; F261-F327 AromaticContact CZ-CZ 3.76Å; F261-F327 HydrophobicContact CZ-CZ 3.76Å; T292-F327 HydrophobicContact CG2-CE1 4.1Å; L323-F327 HydrophobicContact CB-CE2 4.4Å; L323-F327 HydrophobicContact CB-CZ 4.28Å; L323-F327 WeakPolarHBondContact O-CB 3.36Å; L323-F327 WeakPolarHBondContact O-CD1 3.41Å; L323-F327 WeakPolarHBondContact O-CG 3.33Å; L323-F327 PolarHBondContact O-N 3.48Å; E324-F327 PolarHBondContact O-N 2.55Å; F327-Q331 VanDerWaalsContact O-CB 3.24Å; F327-Q331 WeakPolarHBondContact O-CB 3.44Å; F327-Q331 VanDerWaalsContact O-CG 3.3Å; F327-Q331 WeakPolarHBondContact O-CG 3.15Å; F327-Q331 PolarHBondContact O-N 3.21Å; F327-Q331 PolarHBondContact O-NE2 3.47Å; F327-L371 HydrophobicContact CD2-CD1 4.21Å; F327-L371 HydrophobicContact CE2-CD1 3.81Å; F327-W375 HydrophobicContact CB-CB 4.15Å; F327-W375 HydrophobicContact CB-CG 4.38Å; F327-W375 HydrophobicContact CD2-CB 4.11Å; F327-M376 HydrophobicContact CE2-CG 4.21Å; F327-M376 HydrophobicContact CE2-SD 4.49Å; F327-F413 HydrophobicContact CD1-CE2 4.14Å; F327-F413 AromaticContact CD2-CE2 3.98Å; F327-F413 HydrophobicContact CD2-CE2 3.98Å; F327-F413 HydrophobicContact CE1-CE2 4.13Å; F327-F413 HydrophobicContact CE1-CZ 4.45Å; F327-F413 AromaticContact CE2-CE2 3.95Å; F327-F413 HydrophobicContact CE2-CE2 3.95Å; F327-F413 HydrophobicContact CE2-CZ 4.26Å; F327-F413 HydrophobicContact CG-CE2 4.08Å; F327-F413 HydrophobicContact CZ-CE2 4.04Å; F327-F413 HydrophobicContact CZ-CZ 4.12Å; F327-Y416 HydrophobicContact CD1-CE1 4.06Å; F327-Y416 HydrophobicContact CD1-CE2 4.17Å; F327-Y416 AromaticContact CD1-CZ 3.73Å; F327-Y416 AromaticContact CE1-CE1 3.97Å; F327-Y416 HydrophobicContact CE1-CE1 3.97Å; F327-Y416 AromaticContact CE1-CZ 3.88Å
328R97.9Very high96.4Very high0 Ų013.2 Ų13.20%08%0.078CC..Hα-helixtrans-60.7-50.8176.3175.3161.960.5-127.1-14.2112.2I308 T310 E324 I325 S326 W330 Q331 C332 W375I308-R328 HydrophobicContact CB-CG 4.46Å; I308-R328 WeakPolarHBondContact O-CD 3.45Å; I308-R328 PolarHBondContact O-NE 3.01Å; T310-R328 PolarHBondContact O-NH2 3.07Å; E324-R328 WeakPolarHBondContact O-CB 3.42Å; E324-R328 PolarHBondContact O-N 2.92Å; E324-R328 IonicContact OE1-CZ 3.93Å; E324-R328 IonicContact OE1-NH1 3.69Å; E324-R328 PolarHBondContact OE1-NH1 3.38Å; E324-R328 IonicContact OE1-NH2 3.77Å; E324-R328 IonicContact OE2-CZ 2.92Å; E324-R328 IonicContact OE2-NH1 3.07Å; E324-R328 PolarHBondContact OE2-NH1 2.79Å; E324-R328 IonicContact OE2-NH2 3.55Å; E324-R328 PolarHBondContact OE2-NH2 2.91Å; I325-R328 PolarHBondContact O-N 3.03Å; S326-R328 VanDerWaalsContact C-N 3.34Å; S326-R328 PolarHBondContact O-N 3.44Å; R328-W330 VanDerWaalsContact C-N 3.31Å; R328-W330 PolarHBondContact O-N 2.83Å; R328-Q331 PolarHBondContact O-N 3.3Å; R328-C332 WeakPolarHBondContact O-CB 3.28Å; R328-C332 PolarHBondContact O-N 3.18Å; R328-C332 PolarHBondContact O-SG 3.48Å; R328-W375 HydrophobicContact CB-CE3 4.49Å; R328-W375 HydrophobicContact CB-CH2 3.64Å; R328-W375 HydrophobicContact CB-CZ2 3.64Å; R328-W375 HydrophobicContact CB-CZ3 4.07Å; R328-W375 HydrophobicContact CG-CH2 3.53Å; R328-W375 HydrophobicContact CG-CZ2 3.79Å; R328-W375 HydrophobicContact CG-CZ3 4.24Å
329I98.4Very high96.9Very high0 Ų08 Ų80%06%0.058CC..Hα-helixtrans-54-51.5-178.5-71.9157.8000110V235 M293 I308 I325 S326 G333 G334 L336V235-I329 HydrophobicContact CB-CD1 3.9Å; V235-I329 HydrophobicContact CG1-CD1 4.05Å; V235-I329 HydrophobicContact CG2-CD1 3.54Å; V235-I329 HydrophobicContact CG2-CG1 3.9Å; V235-I329 HydrophobicContact CG2-CG2 4.11Å; M293-I329 HydrophobicContact CE-CD1 3.63Å; I308-I329 HydrophobicContact CD1-CG1 3.97Å; I325-I329 HydrophobicContact CG1-CD1 3.91Å; I325-I329 HydrophobicContact CG1-CG1 4.28Å; I325-I329 WeakPolarHBondContact O-CB 3.48Å; I325-I329 VanDerWaalsContact O-CD1 3.32Å; I325-I329 WeakPolarHBondContact O-CD1 3.45Å; I325-I329 WeakPolarHBondContact O-CG1 3.42Å; I325-I329 PolarHBondContact O-N 3.47Å; S326-I329 PolarHBondContact O-N 2.9Å; I329-G333 PolarHBondContact O-N 3.25Å; I329-G334 CarbonylContact O-C 3.52Å; I329-G334 WeakPolarHBondContact O-CA 3.21Å; I329-G334 PolarHBondContact O-N 3.21Å; I329-L336 HydrophobicContact CG2-CB 4.33Å
330W98.4Very high97.3Very high19 Ų197.8 Ų7.87%0.0726%0.057CC..Hα-helixtrans-68.5-48.8-178.1-80.5115.6000113.2R289 T290 P291 S326 R328 C332 G333 T335 L336 W415 Y416 V420R289-W330 HydrophobicContact CB-CH2 4.24Å; R289-W330 HydrophobicContact CB-CZ2 4.34Å; R289-W330 HydrophobicContact CG-CH2 4.28Å; T290-W330 PolarHBondContact O-NE1 3.39Å; P291-W330 PolarHBondContact O-NE1 3.43Å; S326-W330 PolarHBondContact O-N 3.45Å; R328-W330 VanDerWaalsContact C-N 3.31Å; R328-W330 PolarHBondContact O-N 2.83Å; W330-C332 VanDerWaalsContact C-N 3.27Å; W330-C332 PolarHBondContact O-N 3.03Å; W330-G333 PolarHBondContact O-N 3.42Å; W330-T335 HydrophobicContact CH2-CG2 4.24Å; W330-T335 HydrophobicContact CZ3-CG2 3.92Å; W330-L336 HydrophobicContact CZ2-CB 4.21Å; W330-L336 WeakPolarHBondContact CZ2-O 3.44Å; W330-W415 WeakPolarHBondContact O-CZ3 3.41Å; W330-Y416 HydrophobicContact CB-CD2 3.69Å; W330-Y416 HydrophobicContact CB-CE2 3.84Å; W330-Y416 AromaticContact CD1-CE2 3.72Å; W330-Y416 HydrophobicContact CG-CD2 4.2Å; W330-Y416 AromaticContact CG-CE2 3.94Å; W330-Y416 HydrophobicContact CG-CE2 3.94Å; W330-V420 HydrophobicContact CB-CG2 4.11Å; W330-V420 HydrophobicContact CD2-CB 4.28Å; W330-V420 HydrophobicContact CD2-CG1 3.57Å; W330-V420 HydrophobicContact CD2-CG2 3.66Å; W330-V420 VanDerWaalsContact CE2-CG1 3.45Å; W330-V420 HydrophobicContact CE3-CG1 4.21Å; W330-V420 HydrophobicContact CE3-CG2 3.59Å; W330-V420 HydrophobicContact CG-CB 4.43Å; W330-V420 HydrophobicContact CG-CG1 3.76Å; W330-V420 HydrophobicContact CG-CG2 3.92Å; W330-V420 HydrophobicContact CZ2-CG1 4Å; W330-V420 HydrophobicContact CZ3-CG2 4.23Å
331Q98.5Very high97.6Very high1 Ų17.6 Ų7.61%0.0055%0.054CC..Hα-helixtrans-66.4-31.3-176.9-72.7178.674.300111.8F327 R328 W375 R405 C410 K411F327-Q331 VanDerWaalsContact O-CB 3.24Å; F327-Q331 WeakPolarHBondContact O-CB 3.44Å; F327-Q331 VanDerWaalsContact O-CG 3.3Å; F327-Q331 WeakPolarHBondContact O-CG 3.15Å; F327-Q331 PolarHBondContact O-N 3.21Å; F327-Q331 PolarHBondContact O-NE2 3.47Å; R328-Q331 PolarHBondContact O-N 3.3Å; Q331-W375 HydrophobicContact CB-CZ3 4.5Å; Q331-W375 PolarHBondContact NE2-O 3.4Å; Q331-W375 PolarHBondContact OE1-O 3.19Å; Q331-R405 VanDerWaalsContact OE1-NH2 3.1Å; Q331-C410 HydrophobicContact CB-CB 4.12Å; Q331-C410 CarbonylContact O-C 3.54Å; Q331-C410 VanDerWaalsContact O-CA 3.29Å; Q331-C410 WeakPolarHBondContact O-CA 3.47Å; Q331-K411 PolarHBondContact O-N 2.84Å; Q331-K411 PolarHBondContact OE1-O 3.34Å
332C98.2Very high97.8Very high19 Ų197.4 Ų7.413%0.1285%0.053CC..THydrogen-bonded Turntrans-95.317.5-177.5-50.50000113.7R328 W330 L408 C410R328-C332 WeakPolarHBondContact O-CB 3.28Å; R328-C332 PolarHBondContact O-N 3.18Å; R328-C332 PolarHBondContact O-SG 3.48Å; W330-C332 VanDerWaalsContact C-N 3.27Å; W330-C332 PolarHBondContact O-N 3.03Å; C332-L408 HydrophobicContact CB-CB 4.37Å; C332-L408 HydrophobicContact CB-CD1 4.27Å; C332-C410 HydrophobicContact CB-CB 4.06Å; C332-C410 WeakPolarHBondContact CB-SG 3.49Å; C332-C410 WeakPolarHBondContact SG-CB 3.47Å; C332-C410 CovalentContact SG-SG 2.04Å; C332-C410 PolarHBondContact SG-SG 3.45Å
333G96.9Very high97.9Very high49 Ų497 Ų751%0.5055%0.05SC..THydrogen-bonded Turntrans91.310.7166.400000116.4I329 W330I329-G333 PolarHBondContact O-N 3.25Å; W330-G333 PolarHBondContact O-N 3.42Å
334G97.9Very high98Very high4 Ų47 Ų74%0.0415%0.05CC..  trans-91.5-174.6166.700000112.9K233 Y304 I329K233-G334 VanDerWaalsContact O-CA 3.29Å; K233-G334 WeakPolarHBondContact O-CA 3.38Å; Y304-G334 VanDerWaalsContact OH-CA 3.3Å; Y304-G334 WeakPolarHBondContact OH-CA 3.2Å; I329-G334 CarbonylContact O-C 3.52Å; I329-G334 WeakPolarHBondContact O-CA 3.21Å; I329-G334 PolarHBondContact O-N 3.21Å
335T98.1Very high98Very high25 Ų256.9 Ų6.915%0.1535%0.05CC..EExtended strand (participates in β ladder)trans-133.6144.6177.558.20000110.6K233 T234 V235 W330K233-T335 PolarHBondContact O-N 3.13Å; K233-T335 VanDerWaalsContact O-N 3.13Å; T234-T335 CarbonylContact C-O 3.52Å; T234-T335 WeakPolarHBondContact CA-O 3.38Å; T234-T335 WeakPolarHBondContact CA-OG1 3.48Å; T234-T335 WeakPolarHBondContact CB-OG1 3.44Å; T234-T335 WeakPolarHBondContact CG2-OG1 3.04Å; T234-T335 PolarHBondContact OG1-OG1 2.92Å; V235-T335 PolarHBondContact N-O 3.34Å; W330-T335 HydrophobicContact CH2-CG2 4.24Å; W330-T335 HydrophobicContact CZ3-CG2 3.92Å
336L98.5Very high98Very high0 Ų07.8 Ų7.80%05%0.054CC..EExtended strand (participates in β ladder)trans-116.4126.1176-178.359.5000110.3V235 T290 M293 I329 W330V235-L336 HydrophobicContact CB-CD1 3.87Å; V235-L336 HydrophobicContact CG1-CD1 3.86Å; V235-L336 WeakPolarHBondContact O-CA 3.49Å; T290-L336 HydrophobicContact CG2-CB 4.43Å; T290-L336 HydrophobicContact CG2-CD2 4Å; T290-L336 HydrophobicContact CG2-CG 3.63Å; T290-L336 PolarHBondContact N-O 3.49Å; M293-L336 HydrophobicContact CB-CD1 4.43Å; M293-L336 HydrophobicContact CB-CD2 4.02Å; M293-L336 HydrophobicContact CE-CD1 3.59Å; M293-L336 HydrophobicContact CE-CD2 3.95Å; M293-L336 HydrophobicContact CE-CG 4.42Å; M293-L336 HydrophobicContact CG-CD2 4.33Å; I329-L336 HydrophobicContact CG2-CB 4.33Å; W330-L336 HydrophobicContact CZ2-CB 4.21Å; W330-L336 WeakPolarHBondContact CZ2-O 3.44Å
337E98.3Very high97.9Very high1 Ų17.9 Ų7.91%0.0056%0.055CC..EExtended strand (participates in β ladder)trans-136.9145.2-171.5-59.6-174.3169.200113.1R227 T234 V235 V236 C237 P287 V288 R289R227-E337 IonicContact CZ-OE1 3.25Å; R227-E337 IonicContact CZ-OE2 2.94Å; R227-E337 IonicContact NE-OE1 2.62Å; R227-E337 IonicContact NE-OE2 3.01Å; R227-E337 PolarHBondContact NE-OE2 3.26Å; R227-E337 VanDerWaalsContact NH2-CD 3.33Å; R227-E337 IonicContact NH2-OE1 3.98Å; R227-E337 PolarHBondContact NH2-OE1 2.72Å; R227-E337 IonicContact NH2-OE2 3.92Å; R227-E337 PolarHBondContact NH2-OE2 2.74Å; R227-E337 VanDerWaalsContact NH2-OE2 3.16Å; T234-E337 HydrophobicContact CG2-CB 4.45Å; T234-E337 HydrophobicContact CG2-CG 4.09Å; V235-E337 PolarHBondContact O-N 2.79Å; V236-E337 CarbonylContact C-O 3.6Å; V236-E337 WeakPolarHBondContact CA-O 3.32Å; C237-E337 PolarHBondContact N-O 3.21Å; P287-E337 HydrophobicContact CB-CB 4.1Å; P287-E337 WeakPolarHBondContact CB-OE2 3.43Å; V288-E337 CarbonylContact O-C 3.49Å; V288-E337 VanDerWaalsContact O-CA 3.22Å; V288-E337 WeakPolarHBondContact O-CA 3.45Å; R289-E337 HydrophobicContact CG-CG 4.23Å
338I98.2Very high97.4Very high10 Ų1011.8 Ų11.85%0.0517%0.072CC..EExtended strand (participates in β ladder)trans-96.9117.4167.4-60.4166.9000107.5C237 I239 W269 P287 V288 T290 T340C237-I338 HydrophobicContact CB-CG1 4.4Å; C237-I338 CarbonylContact O-C 3.54Å; C237-I338 WeakPolarHBondContact O-CA 3Å; I239-I338 HydrophobicContact CG1-CG2 3.8Å; W269-I338 HydrophobicContact CZ3-CD1 4.06Å; P287-I338 CarbonylContact C-O 3.46Å; P287-I338 WeakPolarHBondContact CA-O 3.08Å; V288-I338 HydrophobicContact CB-CB 4.36Å; V288-I338 PolarHBondContact N-O 3.32Å; V288-I338 PolarHBondContact O-N 2.84Å; T290-I338 HydrophobicContact CG2-CD1 4.17Å; T290-I338 HydrophobicContact CG2-CG1 3.84Å; I338-T340 PolarHBondContact O-N 2.95Å
339V97.8Very high96.7Very high6 Ų614.1 Ų14.14%0.0368%0.081CC..EExtended strand (participates in β ladder)trans-86.3104.9179.8179.90000109.1P223 L224 R227 V236 C237 P287 C341 S342P223-V339 HydrophobicContact CB-CG1 3.52Å; L224-V339 HydrophobicContact CD2-CB 3.88Å; L224-V339 HydrophobicContact CD2-CG2 3.97Å; R227-V339 HydrophobicContact CB-CG2 4.35Å; R227-V339 HydrophobicContact CG-CG2 4.47Å; V236-V339 HydrophobicContact CB-CG2 3.79Å; V236-V339 HydrophobicContact CG1-CG2 3.8Å; C237-V339 PolarHBondContact O-N 3.05Å; P287-V339 HydrophobicContact CB-CG2 4.37Å; P287-V339 HydrophobicContact CG-CG2 4.26Å; V339-C341 PolarHBondContact O-N 3.34Å; V339-C341 VanDerWaalsContact O-N 3.11Å; V339-S342 PolarHBondContact O-N 3.15Å
340T96.5Very high95.7Very high1 Ų122.5 Ų22.51%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-67.8-13.2-170.356.40000115.3I239 D255 R284 T285 V288 I338 H343I239-T340 HydrophobicContact CD1-CG2 4.31Å; D255-T340 HydrophobicContact CB-CG2 4.21Å; R284-T340 VanDerWaalsContact O-CB 3.29Å; R284-T340 WeakPolarHBondContact O-CB 3.26Å; R284-T340 PolarHBondContact O-OG1 3.01Å; T285-T340 VanDerWaalsContact C-OG1 3.29Å; T285-T340 WeakPolarHBondContact CA-OG1 3.43Å; T285-T340 PolarHBondContact O-OG1 3.38Å; V288-T340 HydrophobicContact CG2-CG2 3.9Å; I338-T340 PolarHBondContact O-N 2.95Å; T340-H343 PolarHBondContact O-NE2 2.87Å
341C97Very high94.4Very high2 Ų223.8 Ų23.81%0.01413%0.132CC..EExtended strand (participates in β ladder)trans-89.7-6.7173.8-62.50000113.7R102 C106 P223 V339R102-C341 WeakPolarHBondContact CD-O 3.5Å; C106-C341 HydrophobicContact CB-CB 3.54Å; C106-C341 WeakPolarHBondContact CB-SG 3.25Å; C106-C341 WeakPolarHBondContact SG-CA 3.43Å; C106-C341 WeakPolarHBondContact SG-CB 3.23Å; C106-C341 CovalentContact SG-SG 2.04Å; C106-C341 PolarHBondContact SG-SG 3.4Å; P223-C341 HydrophobicContact CB-CB 4.14Å; P223-C341 HydrophobicContact CG-CB 4.05Å; V339-C341 PolarHBondContact O-N 3.34Å; V339-C341 VanDerWaalsContact O-N 3.11Å
342S98Very high93.2Very high0 Ų027.3 Ų27.30%015%0.154CC..EExtended strand (participates in β ladder)trans-107123.7179.4178.80000109.5W220 L224 P238 I239 V339W220-S342 VanDerWaalsContact O-CB 3.22Å; W220-S342 WeakPolarHBondContact O-CB 3.3Å; W220-S342 PolarHBondContact O-OG 3.25Å; L224-S342 WeakPolarHBondContact CD1-OG 3.34Å; L224-S342 WeakPolarHBondContact CG-OG 3.42Å; P238-S342 CarbonylContact C-O 3.53Å; P238-S342 WeakPolarHBondContact CA-O 3.49Å; P238-S342 WeakPolarHBondContact CB-OG 3.3Å; I239-S342 PolarHBondContact N-O 3.2Å; V339-S342 PolarHBondContact O-N 3.15Å
343H98.1Very high91.7Very high7 Ų728.3 Ų28.33%0.03216%0.16CC..EExtended strand (participates in β ladder)trans-125.7133.2-179.5-76.8-104.7000110.8V101 T217 I239 D241 T340V101-H343 HydrophobicContact CG2-CB 4.1Å; T217-H343 HydrophobicContact CG2-CB 3.85Å; T217-H343 PolarHBondContact N-O 2.95Å; T217-H343 VanDerWaalsContact N-O 3.12Å; T217-H343 WeakPolarHBondContact OG1-CB 3.44Å; T217-H343 PolarHBondContact OG1-O 3.14Å; I239-H343 WeakPolarHBondContact O-CA 3.37Å; D241-H343 IonicContact OD1-CE1 3.16Å; D241-H343 IonicContact OD1-ND1 3.28Å; D241-H343 PolarHBondContact OD1-ND1 3.25Å; D241-H343 WeakPolarHBondContact OD2-CB 3.4Å; D241-H343 IonicContact OD2-CG 2.66Å; D241-H343 IonicContact OD2-ND1 3.95Å; D241-H343 PolarHBondContact OD2-ND1 2.61Å; T340-H343 PolarHBondContact O-NE2 2.87Å
344V98.5Very high90.6Very high0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-136.1121.8173-175.80000108.7L210 C214 W220 P238 I239 I240 D241 L297L210-V344 HydrophobicContact CD2-CG1 4.3Å; C214-V344 HydrophobicContact CB-CG1 3.93Å; W220-V344 HydrophobicContact CB-CG2 4.49Å; W220-V344 HydrophobicContact CD2-CG2 4.19Å; W220-V344 HydrophobicContact CE3-CG2 3.52Å; W220-V344 HydrophobicContact CZ3-CG2 4.13Å; P238-V344 HydrophobicContact CB-CB 4.34Å; P238-V344 HydrophobicContact CB-CG2 3.84Å; P238-V344 HydrophobicContact CG-CB 4.13Å; P238-V344 HydrophobicContact CG-CG2 3.83Å; I239-V344 PolarHBondContact O-N 3.42Å; I240-V344 WeakPolarHBondContact CA-O 3.25Å; D241-V344 PolarHBondContact N-O 2.87Å; L297-V344 HydrophobicContact CD2-CB 3.58Å; L297-V344 HydrophobicContact CD2-CG1 3.34Å; L297-V344 HydrophobicContact CD2-CG2 4.34Å
345G97.9Very high89.4Confident0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-73.3141.8173.300000111.4C214 E215 D241 Y250C214-G345 CarbonylContact C-O 3.55Å; C214-G345 WeakPolarHBondContact CA-O 3.44Å; C214-G345 WeakPolarHBondContact CB-O 3.32Å; E215-G345 PolarHBondContact N-O 3.01Å; E215-G345 PolarHBondContact O-N 3.01Å; D241-G345 CarbonylContact O-C 3.48Å; D241-G345 WeakPolarHBondContact O-CA 3.42Å; Y250-G345 PolarHBondContact OH-N 2.79Å
346H97.7Very high88.1Confident20 Ų2033.5 Ų33.59%0.09317%0.173CC..EExtended strand (participates in β ladder)trans-132.7136.3178.5172.8-85.9000110.2D211 H213 I240 D241 I243 F348D211-H346 IonicContact OD2-CD2 3.4Å; D211-H346 IonicContact OD2-NE2 3.32Å; H213-H346 AromaticContact CD2-CD2 3.89Å; H213-H346 AromaticContact CD2-NE2 3.46Å; H213-H346 PolarHBondContact CD2-NE2 3.22Å; H213-H346 AromaticContact NE2-CE1 3.96Å; H213-H346 AromaticContact NE2-NE2 3.31Å; H213-H346 PolarHBondContact NE2-NE2 3.29Å; I240-H346 HydrophobicContact CG2-CB 3.61Å; D241-H346 PolarHBondContact O-N 3.27Å; I243-H346 PolarHBondContact N-O 2.87Å; H346-F348 HydrophobicContact CB-CE2 4.11Å; H346-F348 HydrophobicContact CB-CZ 4.5Å; H346-F348 AromaticContact ND1-CD1 3.79Å; H346-F348 AromaticContact ND1-CD2 3.69Å; H346-F348 AromaticContact ND1-CE1 3.83Å; H346-F348 AromaticContact ND1-CE2 3.75Å; H346-F348 AromaticContact ND1-CG 3.73Å; H346-F348 AromaticContact ND1-CZ 3.82Å; H346-F348 VanDerWaalsContact O-CD2 3.28Å; H346-F348 WeakPolarHBondContact O-CD2 3.29Å; H346-F348 PolarHBondContact O-N 3.32Å
347V96.1Very high86.6Confident2 Ų237.7 Ų37.71%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-77.6102.3175.7-176.70000110.2F84 H213 I243 D245 F248 R349F84-V347 HydrophobicContact CB-CG1 4Å; F84-V347 HydrophobicContact CD1-CG1 4.26Å; F84-V347 HydrophobicContact CG-CG1 4.2Å; H213-V347 HydrophobicContact CB-CB 4.23Å; H213-V347 HydrophobicContact CB-CG2 4.21Å; H213-V347 PolarHBondContact O-N 3.07Å; H213-V347 VanDerWaalsContact O-N 3.1Å; I243-V347 HydrophobicContact CB-CG2 3.88Å; I243-V347 HydrophobicContact CD1-CG2 4.34Å; I243-V347 HydrophobicContact CG2-CG2 3.8Å; D245-V347 HydrophobicContact CB-CG1 4.46Å; F248-V347 HydrophobicContact CE1-CG2 4.05Å; F248-V347 HydrophobicContact CZ-CG2 4.35Å; V347-R349 PolarHBondContact O-N 3.41Å
348F87.7Confident85Confident82 Ų8240.5 Ų40.536%0.3623%0.229SC..  trans-81.2115.7179.6-74.8-86.4000111.8I240 V242 D245 H346I240-F348 HydrophobicContact CG2-CE2 3.91Å; I240-F348 HydrophobicContact CG2-CZ 3.67Å; V242-F348 HydrophobicContact CB-CD2 4.21Å; V242-F348 HydrophobicContact CB-CE2 4.42Å; V242-F348 HydrophobicContact CG1-CD2 3.95Å; V242-F348 HydrophobicContact CG2-CD2 3.97Å; V242-F348 HydrophobicContact CG2-CE2 3.89Å; D245-F348 WeakPolarHBondContact CB-O 3.36Å; H346-F348 HydrophobicContact CB-CE2 4.11Å; H346-F348 HydrophobicContact CB-CZ 4.5Å; H346-F348 AromaticContact ND1-CD1 3.79Å; H346-F348 AromaticContact ND1-CD2 3.69Å; H346-F348 AromaticContact ND1-CE1 3.83Å; H346-F348 AromaticContact ND1-CE2 3.75Å; H346-F348 AromaticContact ND1-CG 3.73Å; H346-F348 AromaticContact ND1-CZ 3.82Å; H346-F348 VanDerWaalsContact O-CD2 3.28Å; H346-F348 WeakPolarHBondContact O-CD2 3.29Å; H346-F348 PolarHBondContact O-N 3.32Å
349R84.4Confident84Confident48 Ų4841.5 Ų41.518%0.18124%0.242CC..  trans-89.6143.3179.1-55.7175.1-171.7168.8-2.3110.9Q83 F84 E127 H213 V347 A351 Y354Q83-R349 HydrophobicContact CB-CB 4.45Å; F84-R349 HydrophobicContact CD1-CG 4.48Å; E127-R349 VanDerWaalsContact CD-NH2 3.27Å; E127-R349 IonicContact OE1-NH2 2.79Å; E127-R349 PolarHBondContact OE1-NH2 2.79Å; E127-R349 IonicContact OE2-CZ 2.72Å; E127-R349 IonicContact OE2-NH2 3.26Å; E127-R349 PolarHBondContact OE2-NH2 3.41Å; H213-R349 PolarHBondContact CE1-NH2 3.06Å; H213-R349 PolarHBondContact ND1-NH2 2.88Å; V347-R349 PolarHBondContact O-N 3.41Å; R349-A351 VanDerWaalsContact C-N 3.34Å; R349-A351 WeakPolarHBondContact CB-O 3.38Å; R349-Y354 PolarHBondContact NH1-OH 3.29Å
350K76.2Confident83Confident176 Ų17644 Ų4477%0.76526%0.258SS*.SBendtrans-73.7-26.2172.6-66.4173.2-172.8163.60113.1
351A72.6Confident82.3Confident46 Ų4646.1 Ų46.138%0.3828%0.279SS..SBendtrans-142.7149.4179.200000110.9Q83 R349Q83-A351 WeakPolarHBondContact CB-O 3.4Å; R349-A351 VanDerWaalsContact C-N 3.34Å; R349-A351 WeakPolarHBondContact CB-O 3.38Å
352T72.3Confident81.7Confident76 Ų7651.5 Ų51.547%0.46630%0.304SS..  trans-76.2124.3175.953.20000110.1Y354T352-Y354 PolarHBondContact O-N 3.43Å
353P66.8Low81.2Confident40 Ų4052.1 Ų52.126%0.2631%0.307SS..  trans-77.3-0.7-179.929.7-33.7000114Q83Q83-P353 HydrophobicContact CB-CB 4.49Å; Q83-P353 HydrophobicContact CG-CB 3.85Å
354Y74.4Confident80.7Confident60 Ų6053.5 Ų53.524%0.23531%0.314CS..SBendtrans-100149.7-167.4-51.1-56.8000112.7H125 R349 T352 F356H125-Y354 AromaticContact CD2-CD1 3.64Å; H125-Y354 AromaticContact CD2-CE1 3.97Å; H125-Y354 WeakPolarHBondContact O-CE1 3.18Å; H125-Y354 PolarHBondContact O-OH 3.39Å; R349-Y354 PolarHBondContact NH1-OH 3.29Å; T352-Y354 PolarHBondContact O-N 3.43Å; Y354-F356 WeakPolarHBondContact O-CD2 3.34Å; Y354-F356 WeakPolarHBondContact O-CE2 3.31Å
355T71.6Confident80.4Confident100 Ų10055.6 Ų55.661%0.61333%0.326SS*.  trans-75.4144.2172.556.10000110.3R186R186-T355 PolarHBondContact NH1-O 2.86Å; R186-T355 PolarHBondContact NH2-O 3.49Å
356F72.4Confident80.1Confident26 Ų2658.2 Ų58.211%0.11434%0.337CS..  trans-119.498.3174.5-72-94.3000108.1I317 W318 Y354 G358 G359 T360 I363I317-F356 HydrophobicContact CG2-CD1 4.05Å; I317-F356 HydrophobicContact CG2-CE1 3.87Å; W318-F356 HydrophobicContact CB-CE1 4.31Å; Y354-F356 WeakPolarHBondContact O-CD2 3.34Å; Y354-F356 WeakPolarHBondContact O-CE2 3.31Å; F356-G358 PolarHBondContact O-N 2.9Å; F356-G359 WeakPolarHBondContact O-CA 3.18Å; F356-G359 PolarHBondContact O-N 3.19Å; F356-T360 HydrophobicContact CD1-CG2 4.46Å; F356-T360 HydrophobicContact CD2-CG2 4.5Å; F356-T360 WeakPolarHBondContact CD2-OG1 3.37Å; F356-T360 HydrophobicContact CE1-CG2 4.44Å; F356-T360 HydrophobicContact CE2-CG2 4.48Å; F356-T360 HydrophobicContact CG-CG2 4.49Å; F356-T360 WeakPolarHBondContact CG-OG1 3.23Å; F356-T360 HydrophobicContact CZ-CG2 4.45Å; F356-I363 HydrophobicContact CB-CD1 4.06Å; F356-I363 HydrophobicContact CD1-CD1 4.03Å
357P65.3Low80Confident88 Ų8857.2 Ų57.257%0.57133%0.333SS*.THydrogen-bonded Turntrans-52.5120.9173-25.832.8000110.7R186 I317 G359 I363R186-P357 VanDerWaalsContact NH1-CD 3.34Å; I317-P357 HydrophobicContact CD1-CG 4.28Å; P357-G359 VanDerWaalsContact C-N 3.32Å; P357-I363 VanDerWaalsContact O-CD1 3.25Å; P357-I363 WeakPolarHBondContact O-CD1 3.5Å
358G64.8Low79.9Confident60 Ų6057.4 Ų57.462%0.61933%0.333SS*.THydrogen-bonded Turntrans84-2-175.100000115.4F356 Q362F356-G358 PolarHBondContact O-N 2.9Å; G358-Q362 PolarHBondContact O-OE1 3.38Å
359G77.1Confident80.2Confident32 Ų3254.6 Ų54.633%0.3332%0.32SS..  trans88.8145.2176.500000114F356 P357 G361 Q362 I363F356-G359 WeakPolarHBondContact O-CA 3.18Å; F356-G359 PolarHBondContact O-N 3.19Å; P357-G359 VanDerWaalsContact C-N 3.32Å; G359-G361 VanDerWaalsContact C-N 3.3Å; G359-G361 PolarHBondContact O-N 3.39Å; G359-Q362 PolarHBondContact O-N 2.74Å; G359-I363 PolarHBondContact O-N 3.24Å
360T78.2Confident80.8Confident59 Ų5952.7 Ų52.736%0.36231%0.313SS..Hα-helixtrans-58-40.4-175.1-48.60000112.6F356 I364F356-T360 HydrophobicContact CD1-CG2 4.46Å; F356-T360 HydrophobicContact CD2-CG2 4.5Å; F356-T360 WeakPolarHBondContact CD2-OG1 3.37Å; F356-T360 HydrophobicContact CE1-CG2 4.44Å; F356-T360 HydrophobicContact CE2-CG2 4.48Å; F356-T360 HydrophobicContact CG-CG2 4.49Å; F356-T360 WeakPolarHBondContact CG-OG1 3.23Å; F356-T360 HydrophobicContact CZ-CG2 4.45Å; T360-I364 HydrophobicContact CG2-CD1 3.54Å; T360-I364 HydrophobicContact CG2-CG1 4.26Å; T360-I364 WeakPolarHBondContact O-CB 3.43Å; T360-I364 VanDerWaalsContact O-CG1 3.31Å; T360-I364 WeakPolarHBondContact O-CG1 3.34Å; T360-I364 PolarHBondContact O-N 3.23Å
361G80.9Confident81.8Confident44 Ų4444.4 Ų44.445%0.45428%0.277SS..Hα-helixtrans-64-41.8-178.700000113.3G359 N365G359-G361 VanDerWaalsContact C-N 3.3Å; G359-G361 PolarHBondContact O-N 3.39Å; G361-N365 WeakPolarHBondContact O-CB 3.4Å; G361-N365 PolarHBondContact O-N 3.06Å; G361-N365 PolarHBondContact O-ND2 2.79Å
362Q84.8Confident82.9Confident116 Ų11642.2 Ų42.254%0.54226%0.259SS..Hα-helixtrans-66.4-45.2-179.5-1741782.700111.3G358 G359 K366 V393G358-Q362 PolarHBondContact O-OE1 3.38Å; G359-Q362 PolarHBondContact O-N 2.74Å; Q362-K366 WeakPolarHBondContact O-CB 3.28Å; Q362-K366 PolarHBondContact O-N 3.23Å; Q362-V393 HydrophobicContact CG-CG1 4.27Å
363I87.2Confident84Confident13 Ų1340.3 Ų40.37%0.06725%0.245CC..Hα-helixtrans-64.4-50.5179.9-71.1162.4000111.3D316 I317 F356 P357 G359 N365 K366 N367D316-I363 HydrophobicContact CB-CG2 4.16Å; D316-I363 WeakPolarHBondContact O-CG2 3.43Å; I317-I363 HydrophobicContact CB-CG2 4.33Å; I317-I363 HydrophobicContact CD1-CD1 3.72Å; I317-I363 HydrophobicContact CG1-CD1 4.27Å; F356-I363 HydrophobicContact CB-CD1 4.06Å; F356-I363 HydrophobicContact CD1-CD1 4.03Å; P357-I363 VanDerWaalsContact O-CD1 3.25Å; P357-I363 WeakPolarHBondContact O-CD1 3.5Å; G359-I363 PolarHBondContact O-N 3.24Å; I363-N365 VanDerWaalsContact C-N 3.34Å; I363-N365 PolarHBondContact O-N 3.01Å; I363-K366 WeakPolarHBondContact O-CB 3.5Å; I363-K366 PolarHBondContact O-N 2.98Å; I363-N367 PolarHBondContact O-N 3.4Å
364I88.1Confident85.5Confident35 Ų3538.7 Ų38.718%0.17923%0.234CC..Hα-helixtrans-63.9-42.7-179.2-66.3177.9000110.3W318 T360 K366 N367 N368W318-I364 HydrophobicContact CE3-CD1 4.13Å; W318-I364 HydrophobicContact CE3-CG1 4.46Å; W318-I364 HydrophobicContact CZ3-CD1 3.81Å; T360-I364 HydrophobicContact CG2-CD1 3.54Å; T360-I364 HydrophobicContact CG2-CG1 4.26Å; T360-I364 WeakPolarHBondContact O-CB 3.43Å; T360-I364 VanDerWaalsContact O-CG1 3.31Å; T360-I364 WeakPolarHBondContact O-CG1 3.34Å; T360-I364 PolarHBondContact O-N 3.23Å; I364-K366 VanDerWaalsContact C-N 3.34Å; I364-K366 PolarHBondContact O-N 3.46Å; I364-N367 PolarHBondContact O-N 2.93Å; I364-N368 VanDerWaalsContact O-CB 3.26Å; I364-N368 WeakPolarHBondContact O-CB 3.22Å; I364-N368 VanDerWaalsContact O-CG 3.32Å; I364-N368 PolarHBondContact O-N 3.03Å
365N91.3Very high86.6Confident45 Ų4535.9 Ų35.924%0.24122%0.223CC..Hα-helixtrans-63.7-39.8177.5-72.1-13000111.9G361 I363 R369 V390 V393G361-N365 WeakPolarHBondContact O-CB 3.4Å; G361-N365 PolarHBondContact O-N 3.06Å; G361-N365 PolarHBondContact O-ND2 2.79Å; I363-N365 VanDerWaalsContact C-N 3.34Å; I363-N365 PolarHBondContact O-N 3.01Å; N365-R369 VanDerWaalsContact O-CB 3.29Å; N365-R369 WeakPolarHBondContact O-CB 3.39Å; N365-R369 PolarHBondContact O-N 2.9Å; N365-V390 HydrophobicContact CB-CG2 4.12Å; N365-V393 HydrophobicContact CB-CB 4.49Å; N365-V393 HydrophobicContact CB-CG2 3.95Å
366K93.2Very high87.7Confident54 Ų5431.1 Ų31.124%0.23519%0.194CC..Hα-helixtrans-58-53.8173.5179.6-178.6176.6-174.60110.8D316 Q362 I363 I364 N368 R369 R370 V393D316-K366 WeakPolarHBondContact OD2-CE 3.35Å; D316-K366 IonicContact OD2-NZ 3.86Å; D316-K366 PolarHBondContact OD2-NZ 2.85Å; Q362-K366 WeakPolarHBondContact O-CB 3.28Å; Q362-K366 PolarHBondContact O-N 3.23Å; I363-K366 WeakPolarHBondContact O-CB 3.5Å; I363-K366 PolarHBondContact O-N 2.98Å; I364-K366 VanDerWaalsContact C-N 3.34Å; I364-K366 PolarHBondContact O-N 3.46Å; K366-N368 PolarHBondContact O-N 3.28Å; K366-R369 PolarHBondContact O-N 2.9Å; K366-R370 WeakPolarHBondContact O-CG 3.47Å; K366-R370 PolarHBondContact O-N 2.88Å; K366-V393 HydrophobicContact CB-CG1 3.84Å
367N94.5Very high88.7Confident0 Ų031.7 Ų31.70%020%0.198CC..Hα-helixtrans-62.2-44.3-178.4-64.2-9.9000111.6M315 D316 G319 I363 I364 R369 R370 L371M315-N367 VanDerWaalsContact CA-OD1 3.3Å; M315-N367 WeakPolarHBondContact CA-OD1 3.39Å; M315-N367 HydrophobicContact CB-CB 4.48Å; M315-N367 HydrophobicContact CE-CB 4.39Å; M315-N367 HydrophobicContact CG-CB 4.15Å; M315-N367 HydrophobicContact SD-CB 4.43Å; D316-N367 PolarHBondContact N-OD1 3.22Å; D316-N367 PolarHBondContact O-ND2 3.33Å; G319-N367 WeakPolarHBondContact O-CB 3.44Å; G319-N367 PolarHBondContact O-ND2 2.85Å; I363-N367 PolarHBondContact O-N 3.4Å; I364-N367 PolarHBondContact O-N 2.93Å; N367-R369 VanDerWaalsContact C-N 3.29Å; N367-R369 PolarHBondContact O-N 2.99Å; N367-R370 WeakPolarHBondContact O-CB 3.43Å; N367-R370 PolarHBondContact O-N 2.76Å; N367-L371 PolarHBondContact O-N 3.11Å
368N94.4Very high89.7Confident5 Ų532.5 Ų32.53%0.02720%0.195CC..Hα-helixtrans-64.7-32.3176.7-76.4-9.4000112.7L265 I364 K366 L371 A372 F383L265-N368 HydrophobicContact CD1-CB 4.08Å; I364-N368 VanDerWaalsContact O-CB 3.26Å; I364-N368 WeakPolarHBondContact O-CB 3.22Å; I364-N368 VanDerWaalsContact O-CG 3.32Å; I364-N368 PolarHBondContact O-N 3.03Å; K366-N368 PolarHBondContact O-N 3.28Å; N368-L371 WeakPolarHBondContact O-CG 3.21Å; N368-A372 WeakPolarHBondContact O-CB 3.41Å; N368-A372 PolarHBondContact O-N 3.4Å; N368-F383 HydrophobicContact CB-CE1 3.97Å; N368-F383 HydrophobicContact CB-CZ 3.69Å
369R94.5Very high90.7Very high23 Ų2330.8 Ų30.89%0.08717%0.17CC..Hα-helixtrans-69-45.2172.8-168.2167-179.7-178.84.1111.2N365 K366 N367 L371 A372 E373 Y384 V390 T391 V393 Y395N365-R369 VanDerWaalsContact O-CB 3.29Å; N365-R369 WeakPolarHBondContact O-CB 3.39Å; N365-R369 PolarHBondContact O-N 2.9Å; K366-R369 PolarHBondContact O-N 2.9Å; N367-R369 VanDerWaalsContact C-N 3.29Å; N367-R369 PolarHBondContact O-N 2.99Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 2.86Å; R369-A372 PolarHBondContact O-N 2.94Å; R369-E373 HydrophobicContact CG-CG 4.21Å; R369-E373 WeakPolarHBondContact O-CB 3.26Å; R369-E373 WeakPolarHBondContact O-CG 3.3Å; R369-E373 PolarHBondContact O-N 2.93Å; R369-Y384 HydrophobicContact CG-CE1 4.34Å; R369-Y384 WeakPolarHBondContact CG-OH 3.44Å; R369-V390 HydrophobicContact CB-CG1 3.7Å; R369-V390 WeakPolarHBondContact CD-O 3.12Å; R369-V390 HydrophobicContact CG-CG1 4.16Å; R369-T391 VanDerWaalsContact NH1-C 3.28Å; R369-T391 PolarHBondContact NH1-O 2.78Å; R369-V393 WeakPolarHBondContact CD-O 3.32Å; R369-V393 PolarHBondContact NH1-O 3.03Å; R369-Y395 VanDerWaalsContact CD-CD1 3.44Å; R369-Y395 HydrophobicContact CG-CD1 3.78Å; R369-Y395 HydrophobicContact CG-CG 3.99Å
370R96.4Very high91.3Very high9 Ų931.7 Ų31.73%0.03417%0.165CC..Hα-helixtrans-56-47.1176.4-68-179.666.477.92.7111.9D312 K366 N367 V374 Y395 D397 I398D312-R370 IonicContact OD1-CZ 3.85Å; D312-R370 IonicContact OD1-NE 2.8Å; D312-R370 IonicContact OD1-NH2 3.55Å; D312-R370 PolarHBondContact OD1-NH2 2.88Å; D312-R370 IonicContact OD2-CZ 2.85Å; D312-R370 VanDerWaalsContact OD2-CZ 3.24Å; D312-R370 IonicContact OD2-NE 3.82Å; D312-R370 PolarHBondContact OD2-NE 3.23Å; D312-R370 IonicContact OD2-NH2 2.67Å; D312-R370 PolarHBondContact OD2-NH2 3.2Å; K366-R370 WeakPolarHBondContact O-CG 3.47Å; K366-R370 PolarHBondContact O-N 2.88Å; N367-R370 WeakPolarHBondContact O-CB 3.43Å; N367-R370 PolarHBondContact O-N 2.76Å; R370-V374 WeakPolarHBondContact O-CG2 3.12Å; R370-V374 PolarHBondContact O-N 3.25Å; R370-Y395 WeakPolarHBondContact CD-O 3.38Å; R370-Y395 VanDerWaalsContact CG-O 3.28Å; R370-Y395 WeakPolarHBondContact CG-O 3.41Å; R370-Y395 PolarHBondContact NH1-O 2.67Å; R370-D397 PolarHBondContact NH1-O 3.35Å; R370-D397 PolarHBondContact NH2-O 3.34Å; R370-I398 HydrophobicContact CB-CG2 4.45Å; R370-I398 HydrophobicContact CG-CG2 4.32Å
371L96.2Very high91.4Very high1 Ų131.8 Ų31.81%0.00516%0.163CC..Hα-helixtrans-67.4-38.7178.98280000111.9L265 M315 G320 L323 E324 F327 N367 N368 R369 V374 W375 M376L265-L371 HydrophobicContact CD1-CD1 3.64Å; L265-L371 HydrophobicContact CD1-CD2 4.36Å; L265-L371 HydrophobicContact CD1-CG 4.21Å; L265-L371 HydrophobicContact CD2-CD1 4.41Å; M315-L371 HydrophobicContact CE-CB 3.91Å; G320-L371 WeakPolarHBondContact O-CD2 3.46Å; L323-L371 HydrophobicContact CB-CD2 4.29Å; E324-L371 HydrophobicContact CB-CB 3.89Å; E324-L371 HydrophobicContact CG-CB 3.93Å; F327-L371 HydrophobicContact CD2-CD1 4.21Å; F327-L371 HydrophobicContact CE2-CD1 3.81Å; N367-L371 PolarHBondContact O-N 3.11Å; N368-L371 WeakPolarHBondContact O-CG 3.21Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 2.86Å; L371-V374 PolarHBondContact O-N 2.77Å; L371-W375 WeakPolarHBondContact O-CB 3.24Å; L371-W375 PolarHBondContact O-N 3.12Å; L371-M376 HydrophobicContact CD1-CG 4.49Å; L371-M376 HydrophobicContact CD1-SD 3.99Å
372A95.9Very high91.3Very high0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-67.8-44-179.200000111.8L265 N368 R369 V374 M376 K380 F383 Y384L265-A372 HydrophobicContact CD1-CB 4.48Å; N368-A372 WeakPolarHBondContact O-CB 3.41Å; N368-A372 PolarHBondContact O-N 3.4Å; R369-A372 PolarHBondContact O-N 2.94Å; A372-V374 VanDerWaalsContact C-N 3.3Å; A372-V374 PolarHBondContact O-N 3.08Å; A372-M376 HydrophobicContact CB-CG 4.45Å; A372-M376 HydrophobicContact CB-SD 3.67Å; A372-M376 WeakPolarHBondContact O-CB 3.41Å; A372-M376 PolarHBondContact O-N 3.13Å; A372-M376 VanDerWaalsContact O-N 3.17Å; A372-K380 HydrophobicContact CB-CB 4.01Å; A372-F383 HydrophobicContact CB-CD1 3.96Å; A372-F383 HydrophobicContact CB-CE1 4.36Å; A372-Y384 HydrophobicContact CB-CE1 4.47Å
373E96Very high91.2Very high37 Ų3724.9 Ų24.917%0.17312%0.119CC..Hα-helixtrans-61.7-37.1177.8-70.3-61.616300112.6R369 K380 Y384 Y395 I398R369-E373 HydrophobicContact CG-CG 4.21Å; R369-E373 WeakPolarHBondContact O-CB 3.26Å; R369-E373 WeakPolarHBondContact O-CG 3.3Å; R369-E373 PolarHBondContact O-N 2.93Å; E373-K380 IonicContact OE2-NZ 3.48Å; E373-K380 PolarHBondContact OE2-NZ 2.82Å; E373-Y384 WeakPolarHBondContact CG-OH 3.31Å; E373-Y384 PolarHBondContact OE1-OH 3.08Å; E373-Y395 HydrophobicContact CG-CD2 4.46Å; E373-Y395 HydrophobicContact CG-CE1 4.35Å; E373-Y395 HydrophobicContact CG-CE2 4.18Å; E373-I398 HydrophobicContact CB-CD1 3.64Å
374V97.4Very high91Very high5 Ų524.9 Ų24.93%0.0312%0.118CC..Hα-helixtrans-85.6-39.1-176.6178.50000112.6R370 L371 A372 I398 R401 R405R370-V374 WeakPolarHBondContact O-CG2 3.12Å; R370-V374 PolarHBondContact O-N 3.25Å; L371-V374 PolarHBondContact O-N 2.77Å; A372-V374 VanDerWaalsContact C-N 3.3Å; A372-V374 PolarHBondContact O-N 3.08Å; V374-I398 HydrophobicContact CG2-CB 3.88Å; V374-I398 HydrophobicContact CG2-CD1 3.97Å; V374-I398 HydrophobicContact CG2-CG1 4.44Å; V374-I398 HydrophobicContact CG2-CG2 4.2Å; V374-R401 HydrophobicContact CG1-CB 4Å; V374-R401 HydrophobicContact CG2-CB 3.86Å; V374-R405 WeakPolarHBondContact O-CD 3.37Å; V374-R405 PolarHBondContact O-NH1 3.4Å
375W97.7Very high90.4Very high1 Ų123.8 Ų23.80%0.00411%0.113CC..Hα-helixtrans-118.3-11.8-162.3-62.6107000115.9E324 F327 R328 Q331 L371 R405 C410 F413E324-W375 PolarHBondContact OE1-NE1 3.25Å; F327-W375 HydrophobicContact CB-CB 4.15Å; F327-W375 HydrophobicContact CB-CG 4.38Å; F327-W375 HydrophobicContact CD2-CB 4.11Å; R328-W375 HydrophobicContact CB-CE3 4.49Å; R328-W375 HydrophobicContact CB-CH2 3.64Å; R328-W375 HydrophobicContact CB-CZ2 3.64Å; R328-W375 HydrophobicContact CB-CZ3 4.07Å; R328-W375 HydrophobicContact CG-CH2 3.53Å; R328-W375 HydrophobicContact CG-CZ2 3.79Å; R328-W375 HydrophobicContact CG-CZ3 4.24Å; Q331-W375 HydrophobicContact CB-CZ3 4.5Å; Q331-W375 PolarHBondContact NE2-O 3.4Å; Q331-W375 PolarHBondContact OE1-O 3.19Å; L371-W375 WeakPolarHBondContact O-CB 3.24Å; L371-W375 PolarHBondContact O-N 3.12Å; W375-R405 HydrophobicContact CE3-CG 4.27Å; W375-R405 HydrophobicContact CH2-CB 4.11Å; W375-R405 HydrophobicContact CH2-CG 4.15Å; W375-R405 HydrophobicContact CZ3-CB 4.21Å; W375-R405 HydrophobicContact CZ3-CG 3.74Å; W375-C410 HydrophobicContact CZ3-CB 4.27Å; W375-F413 WeakPolarHBondContact O-CB 3.33Å; W375-F413 WeakPolarHBondContact O-CD2 3.41Å
376M95.3Very high89.7Confident0 Ų022.4 Ų22.40%011%0.105CC..  trans-104.6-1.7-172.8-66178.266.300114.8W263 L265 F327 L371 A372 E378 F379 K380 F383 F413W263-M376 HydrophobicContact CE3-CE 4.14Å; W263-M376 HydrophobicContact CZ3-CE 3.8Å; L265-M376 HydrophobicContact CD1-SD 3.94Å; L265-M376 HydrophobicContact CD2-CE 4.02Å; L265-M376 HydrophobicContact CD2-SD 3.78Å; L265-M376 HydrophobicContact CG-SD 4.41Å; F327-M376 HydrophobicContact CE2-CG 4.21Å; F327-M376 HydrophobicContact CE2-SD 4.49Å; L371-M376 HydrophobicContact CD1-CG 4.49Å; L371-M376 HydrophobicContact CD1-SD 3.99Å; A372-M376 HydrophobicContact CB-CG 4.45Å; A372-M376 HydrophobicContact CB-SD 3.67Å; A372-M376 WeakPolarHBondContact O-CB 3.41Å; A372-M376 PolarHBondContact O-N 3.13Å; A372-M376 VanDerWaalsContact O-N 3.17Å; M376-E378 PolarHBondContact O-N 2.72Å; M376-F379 WeakPolarHBondContact O-CA 3.47Å; M376-F379 VanDerWaalsContact O-CB 3.23Å; M376-F379 WeakPolarHBondContact O-CB 3.44Å; M376-F379 PolarHBondContact O-N 3.12Å; M376-K380 HydrophobicContact CB-CB 4.13Å; M376-F383 HydrophobicContact CE-CB 4.2Å; M376-F413 HydrophobicContact CB-CD1 4.42Å; M376-F413 HydrophobicContact CB-CG 4.49Å; M376-F413 HydrophobicContact CE-CE1 4.4Å; M376-F413 HydrophobicContact CG-CD2 4.46Å; M376-F413 HydrophobicContact CG-CE1 4.3Å; M376-F413 HydrophobicContact CG-CE2 4.17Å; M376-F413 HydrophobicContact CG-CZ 4.07Å
377D93.6Very high89Confident39 Ų3921.1 Ų21.121%0.20910%0.103CC..G310 helixtrans49.6-133.6179-56.7-39.4000112.4F379 K380 R405 P412 F413D377-F379 PolarHBondContact O-N 2.04Å; D377-K380 VanDerWaalsContact O-CD 3.31Å; D377-K380 WeakPolarHBondContact O-CD 3.31Å; D377-K380 WeakPolarHBondContact O-CG 3.39Å; D377-K380 PolarHBondContact O-N 3.41Å; D377-R405 VanDerWaalsContact CG-NH2 3.29Å; D377-R405 IonicContact OD1-CZ 2.68Å; D377-R405 VanDerWaalsContact OD1-CZ 3.24Å; D377-R405 IonicContact OD1-NH1 3.34Å; D377-R405 PolarHBondContact OD1-NH1 2.93Å; D377-R405 IonicContact OD1-NH2 3.28Å; D377-R405 PolarHBondContact OD1-NH2 2.79Å; D377-R405 IonicContact OD2-CZ 3.35Å; D377-R405 IonicContact OD2-NH1 3.57Å; D377-R405 IonicContact OD2-NH2 2.74Å; D377-R405 PolarHBondContact OD2-NH2 2.69Å; D377-P412 WeakPolarHBondContact OD2-CA 3.44Å; D377-F413 HydrophobicContact CB-CB 4.43Å; D377-F413 PolarHBondContact OD2-N 2.84Å
378E86.3Confident88.2Confident105 Ų10523.1 Ų23.149%0.49112%0.116SC..G310 helixtrans-63.5-20.8174.765.1-85.6-163.500113.4M376 K380 N381M376-E378 PolarHBondContact O-N 2.72Å; E378-K380 PolarHBondContact O-N 3.28Å; E378-N381 WeakPolarHBondContact O-CB 3.5Å; E378-N381 PolarHBondContact O-N 2.84Å; E378-N381 PolarHBondContact O-ND2 2.98Å
379F86Confident87.5Confident23 Ų2324.6 Ų24.610%0.10113%0.133CC..G310 helixtrans-74.4-12.5-177.2-58.4-94.7000113.2W263 M376 D377 N381 F382 F413 L417W263-F379 HydrophobicContact CH2-CB 4.2Å; W263-F379 HydrophobicContact CH2-CD1 4.11Å; W263-F379 HydrophobicContact CH2-CG 4.5Å; W263-F379 HydrophobicContact CZ3-CB 4.03Å; M376-F379 WeakPolarHBondContact O-CA 3.47Å; M376-F379 VanDerWaalsContact O-CB 3.23Å; M376-F379 WeakPolarHBondContact O-CB 3.44Å; M376-F379 PolarHBondContact O-N 3.12Å; D377-F379 PolarHBondContact O-N 2.04Å; F379-N381 PolarHBondContact O-N 3.33Å; F379-F382 HydrophobicContact CB-CD2 4.04Å; F379-F382 HydrophobicContact CB-CE2 4.34Å; F379-F382 HydrophobicContact CD1-CD2 4.02Å; F379-F382 AromaticContact CD1-CE2 3.66Å; F379-F382 HydrophobicContact CD1-CE2 3.66Å; F379-F382 HydrophobicContact CE1-CE2 4.37Å; F379-F382 HydrophobicContact CG-CD2 4.45Å; F379-F382 HydrophobicContact CG-CE2 4.3Å; F379-F382 WeakPolarHBondContact O-CD2 3.41Å; F379-F382 PolarHBondContact O-N 2.74Å; F379-F413 HydrophobicContact CB-CD1 3.76Å; F379-F413 HydrophobicContact CB-CE1 4.06Å; F379-F413 HydrophobicContact CD2-CB 4.18Å; F379-F413 AromaticContact CD2-CD1 3.68Å; F379-F413 HydrophobicContact CD2-CD1 3.68Å; F379-F413 HydrophobicContact CD2-CG 4.42Å; F379-F413 HydrophobicContact CE2-CD1 4.46Å; F379-F413 AromaticContact CG-CD1 3.78Å; F379-F413 HydrophobicContact CG-CD1 3.78Å; F379-F413 HydrophobicContact CG-CE1 4.35Å; F379-L417 HydrophobicContact CD1-CD1 3.62Å; F379-L417 HydrophobicContact CD2-CD1 4.4Å; F379-L417 HydrophobicContact CE1-CD1 3.51Å; F379-L417 HydrophobicContact CE2-CD1 4.31Å; F379-L417 HydrophobicContact CG-CD1 4.08Å; F379-L417 HydrophobicContact CZ-CD1 3.88Å
380K88.5Confident87Confident51 Ų5123.6 Ų23.622%0.22213%0.129CC..Hα-helixtrans-59.4-27.9169.972.7-166.9173.2179.10112.3A372 E373 M376 D377 E378 F382 F383 Y384A372-K380 HydrophobicContact CB-CB 4.01Å; E373-K380 IonicContact OE2-NZ 3.48Å; E373-K380 PolarHBondContact OE2-NZ 2.82Å; M376-K380 HydrophobicContact CB-CB 4.13Å; D377-K380 VanDerWaalsContact O-CD 3.31Å; D377-K380 WeakPolarHBondContact O-CD 3.31Å; D377-K380 WeakPolarHBondContact O-CG 3.39Å; D377-K380 PolarHBondContact O-N 3.41Å; E378-K380 PolarHBondContact O-N 3.28Å; K380-F382 VanDerWaalsContact C-N 3.3Å; K380-F382 PolarHBondContact O-N 2.8Å; K380-F383 WeakPolarHBondContact O-CB 3.23Å; K380-F383 PolarHBondContact O-N 3.19Å; K380-F383 VanDerWaalsContact O-N 3.12Å; K380-Y384 HydrophobicContact CB-CE2 4.18Å; K380-Y384 HydrophobicContact CD-CE2 4.17Å; K380-Y384 HydrophobicContact CG-CD2 4.37Å; K380-Y384 HydrophobicContact CG-CE2 3.89Å; K380-Y384 PolarHBondContact O-N 3.37Å
381N81.3Confident86.5Confident62 Ų6224.9 Ų24.933%0.33214%0.138SC..Hα-helixtrans-61.9-38179-66.9-23000111.7E378 F379 F383 Y384 I385 L558E378-N381 WeakPolarHBondContact O-CB 3.5Å; E378-N381 PolarHBondContact O-N 2.84Å; E378-N381 PolarHBondContact O-ND2 2.98Å; F379-N381 PolarHBondContact O-N 3.33Å; N381-F383 VanDerWaalsContact C-N 3.35Å; N381-F383 PolarHBondContact O-N 2.95Å; N381-Y384 PolarHBondContact O-N 3.42Å; N381-I385 WeakPolarHBondContact O-CD1 3.35Å; N381-I385 VanDerWaalsContact O-CG1 3.24Å; N381-I385 WeakPolarHBondContact O-CG1 3.48Å; N381-I385 PolarHBondContact O-N 3.18Å; N381-L558 HydrophobicContact CB-CD1 3.75Å; N381-L558 VanDerWaalsContact CG-CD1 3.48Å; N381-L558 VanDerWaalsContact OD1-CD1 3.22Å; N381-L558 WeakPolarHBondContact OD1-CD1 3.11Å
382F77.9Confident86Confident13 Ų1333.6 Ų33.66%0.05718%0.176CC..Hα-helixtrans-61-46.7174-61.1-82000111.2W263 F379 K380 Y384 I385 I386 I426 Y430 L433W263-F382 HydrophobicContact CE3-CB 4.36Å; F379-F382 HydrophobicContact CB-CD2 4.04Å; F379-F382 HydrophobicContact CB-CE2 4.34Å; F379-F382 HydrophobicContact CD1-CD2 4.02Å; F379-F382 AromaticContact CD1-CE2 3.66Å; F379-F382 HydrophobicContact CD1-CE2 3.66Å; F379-F382 HydrophobicContact CE1-CE2 4.37Å; F379-F382 HydrophobicContact CG-CD2 4.45Å; F379-F382 HydrophobicContact CG-CE2 4.3Å; F379-F382 WeakPolarHBondContact O-CD2 3.41Å; F379-F382 PolarHBondContact O-N 2.74Å; K380-F382 VanDerWaalsContact C-N 3.3Å; K380-F382 PolarHBondContact O-N 2.8Å; F382-Y384 VanDerWaalsContact C-N 3.29Å; F382-Y384 PolarHBondContact O-N 3.35Å; F382-I385 PolarHBondContact O-N 3.18Å; F382-I386 WeakPolarHBondContact O-CD1 3.42Å; F382-I386 WeakPolarHBondContact O-CG1 3.29Å; F382-I386 PolarHBondContact O-N 3.02Å; F382-I426 HydrophobicContact CB-CD1 3.56Å; F382-I426 HydrophobicContact CD1-CD1 3.8Å; F382-I426 HydrophobicContact CD1-CG2 4.28Å; F382-I426 HydrophobicContact CD2-CD1 4.47Å; F382-I426 HydrophobicContact CE1-CG2 4.29Å; F382-I426 HydrophobicContact CG-CD1 3.7Å; F382-Y430 HydrophobicContact CE1-CD1 4.06Å; F382-Y430 AromaticContact CE1-CE1 3.44Å; F382-Y430 HydrophobicContact CE1-CE1 3.44Å; F382-Y430 VanDerWaalsContact CE1-CE1 3.44Å; F382-Y430 HydrophobicContact CE1-CE2 4.36Å; F382-Y430 AromaticContact CE1-CZ 3.56Å; F382-Y430 HydrophobicContact CZ-CD1 4.19Å; F382-Y430 AromaticContact CZ-CE1 3.3Å; F382-Y430 HydrophobicContact CZ-CE1 3.3Å; F382-Y430 AromaticContact CZ-CZ 3.63Å; F382-Y430 WeakPolarHBondContact CZ-OH 3.26Å; F382-L433 HydrophobicContact CD1-CD1 4.21Å; F382-L433 HydrophobicContact CD1-CD2 3.28Å; F382-L433 HydrophobicContact CD1-CG 4.33Å; F382-L433 HydrophobicContact CE1-CD2 3.56Å; F382-L433 HydrophobicContact CG-CD2 4.36Å
383F84.1Confident85.6Confident1 Ų134.6 Ų34.60%0.00418%0.182CC..Hα-helixtrans-61-40.6178.9172-125.4000111.7W263 L265 N368 A372 M376 K380 N381 I386 S387 V390W263-F383 WeakPolarHBondContact O-CD2 3.37Å; L265-F383 HydrophobicContact CB-CD2 4.47Å; L265-F383 HydrophobicContact CB-CE2 4.1Å; L265-F383 HydrophobicContact CB-CZ 4.41Å; L265-F383 HydrophobicContact CD1-CD1 3.65Å; L265-F383 HydrophobicContact CD1-CD2 3.97Å; L265-F383 HydrophobicContact CD1-CE1 3.51Å; L265-F383 HydrophobicContact CD1-CE2 3.86Å; L265-F383 HydrophobicContact CD1-CG 3.87Å; L265-F383 HydrophobicContact CD1-CZ 3.63Å; L265-F383 HydrophobicContact CG-CD1 4.33Å; L265-F383 HydrophobicContact CG-CD2 3.77Å; L265-F383 HydrophobicContact CG-CE1 4.35Å; L265-F383 HydrophobicContact CG-CE2 3.81Å; L265-F383 HydrophobicContact CG-CG 4.04Å; L265-F383 HydrophobicContact CG-CZ 4.11Å; N368-F383 HydrophobicContact CB-CE1 3.97Å; N368-F383 HydrophobicContact CB-CZ 3.69Å; A372-F383 HydrophobicContact CB-CD1 3.96Å; A372-F383 HydrophobicContact CB-CE1 4.36Å; M376-F383 HydrophobicContact CE-CB 4.2Å; K380-F383 WeakPolarHBondContact O-CB 3.23Å; K380-F383 PolarHBondContact O-N 3.19Å; K380-F383 VanDerWaalsContact O-N 3.12Å; N381-F383 VanDerWaalsContact C-N 3.35Å; N381-F383 PolarHBondContact O-N 2.95Å; F383-I386 PolarHBondContact O-N 3.03Å; F383-S387 WeakPolarHBondContact O-CB 3.35Å; F383-S387 PolarHBondContact O-N 3.26Å; F383-V390 HydrophobicContact CE1-CB 4.28Å; F383-V390 HydrophobicContact CE1-CG1 3.74Å; F383-V390 HydrophobicContact CE1-CG2 4.02Å; F383-V390 HydrophobicContact CE2-CG2 4.31Å; F383-V390 HydrophobicContact CZ-CB 4.34Å; F383-V390 HydrophobicContact CZ-CG1 4.15Å; F383-V390 HydrophobicContact CZ-CG2 3.59Å
384Y83.2Confident85.3Confident14 Ų1438.8 Ų38.86%0.05521%0.205CC..Hα-helixtrans-68.1-34.6177.2-64.5-20.6000113.7R369 A372 E373 K380 N381 F382 S387 P388 V390 T391R369-Y384 HydrophobicContact CG-CE1 4.34Å; R369-Y384 WeakPolarHBondContact CG-OH 3.44Å; A372-Y384 HydrophobicContact CB-CE1 4.47Å; E373-Y384 WeakPolarHBondContact CG-OH 3.31Å; E373-Y384 PolarHBondContact OE1-OH 3.08Å; K380-Y384 HydrophobicContact CB-CE2 4.18Å; K380-Y384 HydrophobicContact CD-CE2 4.17Å; K380-Y384 HydrophobicContact CG-CD2 4.37Å; K380-Y384 HydrophobicContact CG-CE2 3.89Å; K380-Y384 PolarHBondContact O-N 3.37Å; N381-Y384 PolarHBondContact O-N 3.42Å; F382-Y384 VanDerWaalsContact C-N 3.29Å; F382-Y384 PolarHBondContact O-N 3.35Å; Y384-S387 CarbonylContact O-C 3.57Å; Y384-P388 VanDerWaalsContact O-CA 3.23Å; Y384-P388 WeakPolarHBondContact O-CA 3.33Å; Y384-V390 HydrophobicContact CD1-CB 4.49Å; Y384-V390 HydrophobicContact CD1-CG1 4.27Å; Y384-V390 HydrophobicContact CE1-CG1 3.97Å; Y384-T391 HydrophobicContact CD1-CG2 3.87Å; Y384-T391 HydrophobicContact CD2-CG2 4.06Å; Y384-T391 HydrophobicContact CG-CG2 3.61Å
385I75.3Confident85Confident12 Ų1241.4 Ų41.46%0.06222%0.215CC..Hα-helixtrans-66.7-42.7173.4-69.3165.3000110.6N381 F382 L433 V556 L558N381-I385 WeakPolarHBondContact O-CD1 3.35Å; N381-I385 VanDerWaalsContact O-CG1 3.24Å; N381-I385 WeakPolarHBondContact O-CG1 3.48Å; N381-I385 PolarHBondContact O-N 3.18Å; F382-I385 PolarHBondContact O-N 3.18Å; I385-L433 HydrophobicContact CD1-CD2 3.66Å; I385-V556 HydrophobicContact CB-CG1 4.46Å; I385-V556 HydrophobicContact CD1-CB 4.09Å; I385-V556 HydrophobicContact CD1-CG1 4.42Å; I385-V556 HydrophobicContact CG1-CB 3.99Å; I385-V556 HydrophobicContact CG1-CG1 3.85Å; I385-V556 HydrophobicContact CG2-CB 3.8Å; I385-V556 HydrophobicContact CG2-CG1 4.04Å; I385-V556 HydrophobicContact CG2-CG2 3.8Å; I385-L558 HydrophobicContact CG1-CD2 3.84Å; I385-L558 HydrophobicContact CG1-CG 4.36Å
386I75.1Confident84.8Confident15 Ų1542.9 Ų42.98%0.07723%0.23CC..Hα-helixtrans-69.1-41.6-179.4-64.8162.3000111.3W263 K264 F382 F383 P388 I426 G466 V470W263-I386 HydrophobicContact CB-CD1 3.44Å; W263-I386 VanDerWaalsContact CB-CD1 3.44Å; W263-I386 WeakPolarHBondContact O-CD1 3.41Å; K264-I386 HydrophobicContact CD-CG2 4.29Å; K264-I386 HydrophobicContact CG-CG2 3.47Å; K264-I386 VanDerWaalsContact CG-CG2 3.47Å; F382-I386 WeakPolarHBondContact O-CD1 3.42Å; F382-I386 WeakPolarHBondContact O-CG1 3.29Å; F382-I386 PolarHBondContact O-N 3.02Å; F383-I386 PolarHBondContact O-N 3.03Å; I386-P388 VanDerWaalsContact C-CD 3.45Å; I386-P388 WeakPolarHBondContact O-CD 2.88Å; I386-I426 HydrophobicContact CD1-CD1 4.39Å; I386-G466 PolarHBondContact O-N 3.35Å; I386-V470 HydrophobicContact CB-CG2 4.05Å; I386-V470 HydrophobicContact CD1-CG1 4.04Å; I386-V470 HydrophobicContact CG1-CB 4.13Å; I386-V470 HydrophobicContact CG1-CG1 3.47Å; I386-V470 VanDerWaalsContact CG1-CG1 3.47Å; I386-V470 HydrophobicContact CG1-CG2 3.59Å; I386-V470 HydrophobicContact CG2-CG2 4.29Å
387S79.3Confident84.8Confident27 Ų2747.8 Ų47.819%0.18926%0.256CS..  trans-123.968.6-172.9-62.20000110.6F383 Y384 G389 V390F383-S387 WeakPolarHBondContact O-CB 3.35Å; F383-S387 PolarHBondContact O-N 3.26Å; Y384-S387 CarbonylContact O-C 3.57Å; S387-G389 PolarHBondContact O-N 2.8Å; S387-G389 VanDerWaalsContact O-N 3.08Å; S387-V390 WeakPolarHBondContact O-CB 3.2Å; S387-V390 WeakPolarHBondContact O-CG2 3.41Å; S387-V390 PolarHBondContact O-N 3.5Å
388P77.1Confident84.9Confident42 Ų4246.9 Ų46.927%0.27325%0.252SS..THydrogen-bonded Turntrans-64.6-19-174.726-35.3000113.3Y384 I386 V390 T391Y384-P388 VanDerWaalsContact O-CA 3.23Å; Y384-P388 WeakPolarHBondContact O-CA 3.33Å; I386-P388 VanDerWaalsContact C-CD 3.45Å; I386-P388 WeakPolarHBondContact O-CD 2.88Å; P388-V390 PolarHBondContact O-N 3.36Å; P388-T391 PolarHBondContact O-N 3.18Å; P388-T391 PolarHBondContact O-OG1 2.88Å
389G79.7Confident85.4Confident37 Ų3745.5 Ų45.538%0.38125%0.253SS..THydrogen-bonded Turntrans-62-22.6172.800000113.7S387 K392S387-G389 PolarHBondContact O-N 2.8Å; S387-G389 VanDerWaalsContact O-N 3.08Å; G389-K392 PolarHBondContact O-N 3.5Å
390V85.8Confident85.9Confident1 Ų148.7 Ų48.71%0.00628%0.275CS..G310 helixtrans-70.7-36.7-178.2177.20000111.7N365 R369 F383 Y384 S387 P388 K392 V393N365-V390 HydrophobicContact CB-CG2 4.12Å; R369-V390 HydrophobicContact CB-CG1 3.7Å; R369-V390 WeakPolarHBondContact CD-O 3.12Å; R369-V390 HydrophobicContact CG-CG1 4.16Å; F383-V390 HydrophobicContact CE1-CB 4.28Å; F383-V390 HydrophobicContact CE1-CG1 3.74Å; F383-V390 HydrophobicContact CE1-CG2 4.02Å; F383-V390 HydrophobicContact CE2-CG2 4.31Å; F383-V390 HydrophobicContact CZ-CB 4.34Å; F383-V390 HydrophobicContact CZ-CG1 4.15Å; F383-V390 HydrophobicContact CZ-CG2 3.59Å; Y384-V390 HydrophobicContact CD1-CB 4.49Å; Y384-V390 HydrophobicContact CD1-CG1 4.27Å; Y384-V390 HydrophobicContact CE1-CG1 3.97Å; S387-V390 WeakPolarHBondContact O-CB 3.2Å; S387-V390 WeakPolarHBondContact O-CG2 3.41Å; S387-V390 PolarHBondContact O-N 3.5Å; P388-V390 PolarHBondContact O-N 3.36Å; V390-K392 PolarHBondContact O-N 2.92Å; V390-K392 VanDerWaalsContact O-N 3.14Å; V390-V393 PolarHBondContact O-N 3.36Å; V390-V393 VanDerWaalsContact O-N 3.14Å
391T84.5Confident86.3Confident37 Ų3747.7 Ų47.723%0.22727%0.27CS..G310 helixtrans-68.2-14.3-178.3620000113.1R369 Y384 P388R369-T391 VanDerWaalsContact NH1-C 3.28Å; R369-T391 PolarHBondContact NH1-O 2.78Å; Y384-T391 HydrophobicContact CD1-CG2 3.87Å; Y384-T391 HydrophobicContact CD2-CG2 4.06Å; Y384-T391 HydrophobicContact CG-CG2 3.61Å; P388-T391 PolarHBondContact O-N 3.18Å; P388-T391 PolarHBondContact O-OG1 2.88Å
392K85.6Confident87.1Confident183 Ų18346.5 Ų46.580%0.79627%0.266SS*.G310 helixtrans-85.6-9.4177.2-58.4-176.3-178.5-178.30113.7G389 V390G389-K392 PolarHBondContact O-N 3.5Å; V390-K392 PolarHBondContact O-N 2.92Å; V390-K392 VanDerWaalsContact O-N 3.14Å
393V87.8Confident88Confident21 Ų2148.4 Ų48.413%0.12728%0.284CS..SBendtrans-100.3127.7-175.2-178.20000110.2Q362 N365 K366 R369 V390 Y395Q362-V393 HydrophobicContact CG-CG1 4.27Å; N365-V393 HydrophobicContact CB-CB 4.49Å; N365-V393 HydrophobicContact CB-CG2 3.95Å; K366-V393 HydrophobicContact CB-CG1 3.84Å; R369-V393 WeakPolarHBondContact CD-O 3.32Å; R369-V393 PolarHBondContact NH1-O 3.03Å; V390-V393 PolarHBondContact O-N 3.36Å; V390-V393 VanDerWaalsContact O-N 3.14Å; V393-Y395 PolarHBondContact O-N 3.17Å
394D89.8Confident88.7Confident125 Ų12549.5 Ų49.567%0.66829%0.29SS*.  trans-65.9126.5170.9179.521.9000110.5G396D394-G396 PolarHBondContact OD1-N 3.23Å
395Y91.4Very high89.4Confident61 Ų6150.6 Ų50.624%0.23929%0.294CS..  trans-97.2-7-178.361.8-88.4000113R369 R370 E373 V393 I398R369-Y395 VanDerWaalsContact CD-CD1 3.44Å; R369-Y395 HydrophobicContact CG-CD1 3.78Å; R369-Y395 HydrophobicContact CG-CG 3.99Å; R370-Y395 WeakPolarHBondContact CD-O 3.38Å; R370-Y395 VanDerWaalsContact CG-O 3.28Å; R370-Y395 WeakPolarHBondContact CG-O 3.41Å; R370-Y395 PolarHBondContact NH1-O 2.67Å; E373-Y395 HydrophobicContact CG-CD2 4.46Å; E373-Y395 HydrophobicContact CG-CE1 4.35Å; E373-Y395 HydrophobicContact CG-CE2 4.18Å; V393-Y395 PolarHBondContact O-N 3.17Å; Y395-I398 HydrophobicContact CD2-CG2 3.77Å; Y395-I398 HydrophobicContact CE2-CD1 3.88Å; Y395-I398 HydrophobicContact CE2-CG1 4.06Å; Y395-I398 HydrophobicContact CE2-CG2 4.04Å
396G93.7Very high90.4Very high31 Ų3157.3 Ų57.332%0.3233%0.325SS..  trans67.9-167.6-178.700000113.7D394D394-G396 PolarHBondContact OD1-N 3.23Å
397D95.1Very high91.5Very high103 Ų10364.9 Ų64.955%0.55136%0.358SS*.  trans-73.5130.6-176.4-178.730.2000112.8R370 S399R370-D397 PolarHBondContact NH1-O 3.35Å; R370-D397 PolarHBondContact NH2-O 3.34Å; D397-S399 WeakPolarHBondContact OD1-CB 3.25Å; D397-S399 PolarHBondContact OD1-N 3.4Å; D397-S399 PolarHBondContact OD1-OG 3.26Å
398I96.3Very high92.4Very high21 Ų2165.5 Ų65.511%0.10836%0.359CS..  trans-117.34.7176.561.1171000112.8R370 E373 V374 Y395 T400 R401 S402R370-I398 HydrophobicContact CB-CG2 4.45Å; R370-I398 HydrophobicContact CG-CG2 4.32Å; E373-I398 HydrophobicContact CB-CD1 3.64Å; V374-I398 HydrophobicContact CG2-CB 3.88Å; V374-I398 HydrophobicContact CG2-CD1 3.97Å; V374-I398 HydrophobicContact CG2-CG1 4.44Å; V374-I398 HydrophobicContact CG2-CG2 4.2Å; Y395-I398 HydrophobicContact CD2-CG2 3.77Å; Y395-I398 HydrophobicContact CE2-CD1 3.88Å; Y395-I398 HydrophobicContact CE2-CG1 4.06Å; Y395-I398 HydrophobicContact CE2-CG2 4.04Å; I398-T400 VanDerWaalsContact C-N 3.25Å; I398-T400 PolarHBondContact O-N 3.45Å; I398-T400 VanDerWaalsContact O-N 3.16Å; I398-R401 PolarHBondContact O-N 2.82Å; I398-S402 PolarHBondContact O-N 2.98Å; I398-S402 PolarHBondContact O-OG 3.13Å
399S96.7Very high93.4Very high75 Ų7571.7 Ų71.752%0.52438%0.384SS..Hα-helixtrans-53.7-41.6-173.3-59.70000112.6D397 R401 S402 A403D397-S399 WeakPolarHBondContact OD1-CB 3.25Å; D397-S399 PolarHBondContact OD1-N 3.4Å; D397-S399 PolarHBondContact OD1-OG 3.26Å; S399-R401 VanDerWaalsContact C-N 3.33Å; S399-R401 PolarHBondContact O-N 2.98Å; S399-S402 PolarHBondContact O-N 3.44Å; S399-A403 VanDerWaalsContact O-CB 3.26Å; S399-A403 WeakPolarHBondContact O-CB 3.48Å; S399-A403 PolarHBondContact O-N 3.5Å
400T96.3Very high94.3Very high91 Ų9170.9 Ų70.956%0.55837%0.372SS*.Hα-helixtrans-64.9-35.1178.160.40000113I398 L404I398-T400 VanDerWaalsContact C-N 3.25Å; I398-T400 PolarHBondContact O-N 3.45Å; I398-T400 VanDerWaalsContact O-N 3.16Å; T400-L404 WeakPolarHBondContact O-CB 3.48Å; T400-L404 PolarHBondContact O-N 3.43Å
401R97.3Very high94.9Very high30 Ų3075.2 Ų75.211%0.11339%0.391CS..Hα-helixtrans-77.4-40.7179.8-60.8-66.7148-174.4-4111.4G309 Y311 D312 V374 I398 S399 L404 R405G309-R401 PolarHBondContact O-NH1 3.19Å; Y311-R401 PolarHBondContact O-NH1 3.17Å; Y311-R401 PolarHBondContact O-NH2 3.38Å; D312-R401 HydrophobicContact CB-CG 4.41Å; D312-R401 IonicContact OD1-NE 2.66Å; D312-R401 PolarHBondContact OD1-NE 3.05Å; V374-R401 HydrophobicContact CG1-CB 4Å; V374-R401 HydrophobicContact CG2-CB 3.86Å; I398-R401 PolarHBondContact O-N 2.82Å; S399-R401 VanDerWaalsContact C-N 3.33Å; S399-R401 PolarHBondContact O-N 2.98Å; R401-L404 WeakPolarHBondContact O-CB 3.4Å; R401-L404 PolarHBondContact O-N 3.4Å; R401-R405 PolarHBondContact O-N 2.56Å
402S96.6Very high95.5Very high37 Ų3776.3 Ų76.326%0.25940%0.399SS..Hα-helixtrans-63.2-44.1173-58.90000111.8I398 S399 L404 R405 Q406I398-S402 PolarHBondContact O-N 2.98Å; I398-S402 PolarHBondContact O-OG 3.13Å; S399-S402 PolarHBondContact O-N 3.44Å; S402-L404 VanDerWaalsContact C-N 3.34Å; S402-L404 PolarHBondContact O-N 2.68Å; S402-R405 PolarHBondContact O-N 3.35Å; S402-Q406 WeakPolarHBondContact O-CG 3.22Å; S402-Q406 PolarHBondContact O-N 3.37Å; S402-Q406 VanDerWaalsContact O-N 3.07Å
403A97.7Very high95.9Very high52 Ų5267.6 Ų67.643%0.4336%0.361SS..Hα-helixtrans-63-39175.200000112.3S399 Q406 K407S399-A403 VanDerWaalsContact O-CB 3.26Å; S399-A403 WeakPolarHBondContact O-CB 3.48Å; S399-A403 PolarHBondContact O-N 3.5Å; A403-Q406 PolarHBondContact O-N 2.96Å; A403-K407 VanDerWaalsContact O-CB 3.29Å; A403-K407 WeakPolarHBondContact O-CB 3.44Å; A403-K407 PolarHBondContact O-N 3.49Å
404L97.7Very high96.1Very high25 Ų2568.1 Ų68.113%0.13137%0.366CS..Hα-helixtrans-61.3-46.3173.9178.168.5000111.6T400 R401 S402 Q406 K407 L408T400-L404 WeakPolarHBondContact O-CB 3.48Å; T400-L404 PolarHBondContact O-N 3.43Å; R401-L404 WeakPolarHBondContact O-CB 3.4Å; R401-L404 PolarHBondContact O-N 3.4Å; S402-L404 VanDerWaalsContact C-N 3.34Å; S402-L404 PolarHBondContact O-N 2.68Å; L404-Q406 VanDerWaalsContact C-N 3.29Å; L404-Q406 PolarHBondContact O-N 3.31Å; L404-K407 PolarHBondContact O-N 2.95Å; L404-L408 HydrophobicContact CD1-CD1 3.77Å; L404-L408 HydrophobicContact CD1-CG 4.09Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.39Å
405R98.1Very high96.4Very high36 Ų3665.3 Ų65.314%0.13635%0.346CS..Hα-helixtrans-58.3-42.2177.7-172.9177-178.7-152.4-4111.7Q331 V374 W375 D377 R401 S402 Q409 C410Q331-R405 VanDerWaalsContact OE1-NH2 3.1Å; V374-R405 WeakPolarHBondContact O-CD 3.37Å; V374-R405 PolarHBondContact O-NH1 3.4Å; W375-R405 HydrophobicContact CE3-CG 4.27Å; W375-R405 HydrophobicContact CH2-CB 4.11Å; W375-R405 HydrophobicContact CH2-CG 4.15Å; W375-R405 HydrophobicContact CZ3-CB 4.21Å; W375-R405 HydrophobicContact CZ3-CG 3.74Å; D377-R405 VanDerWaalsContact CG-NH2 3.29Å; D377-R405 IonicContact OD1-CZ 2.68Å; D377-R405 VanDerWaalsContact OD1-CZ 3.24Å; D377-R405 IonicContact OD1-NH1 3.34Å; D377-R405 PolarHBondContact OD1-NH1 2.93Å; D377-R405 IonicContact OD1-NH2 3.28Å; D377-R405 PolarHBondContact OD1-NH2 2.79Å; D377-R405 IonicContact OD2-CZ 3.35Å; D377-R405 IonicContact OD2-NH1 3.57Å; D377-R405 IonicContact OD2-NH2 2.74Å; D377-R405 PolarHBondContact OD2-NH2 2.69Å; R401-R405 PolarHBondContact O-N 2.56Å; S402-R405 PolarHBondContact O-N 3.35Å; R405-Q409 PolarHBondContact O-N 3.19Å; R405-C410 HydrophobicContact CG-CB 3.85Å; R405-C410 PolarHBondContact O-N 3.26Å; R405-C410 VanDerWaalsContact O-N 3.14Å; R405-C410 PolarHBondContact O-SG 2.82Å; R405-C410 VanDerWaalsContact O-SG 3.41Å
406Q97.5Very high96.6Very high154 Ų15462.4 Ų62.472%0.7233%0.334SS*.Hα-helixtrans-67.3-46.5175.6-69.2175.23.100112.1S402 A403 L404 L408 Q409S402-Q406 WeakPolarHBondContact O-CG 3.22Å; S402-Q406 PolarHBondContact O-N 3.37Å; S402-Q406 VanDerWaalsContact O-N 3.07Å; A403-Q406 PolarHBondContact O-N 2.96Å; L404-Q406 VanDerWaalsContact C-N 3.29Å; L404-Q406 PolarHBondContact O-N 3.31Å; Q406-L408 VanDerWaalsContact C-N 3.31Å; Q406-L408 PolarHBondContact O-N 3.12Å; Q406-Q409 PolarHBondContact O-N 2.86Å
407K97.8Very high96.5Very high173 Ų17361.2 Ų61.275%0.75232%0.321SS*.Hα-helixtrans-58.1-42.1179.9179.9-176.3175.7-173.70112.2A403 L404 Q409A403-K407 VanDerWaalsContact O-CB 3.29Å; A403-K407 WeakPolarHBondContact O-CB 3.44Å; A403-K407 PolarHBondContact O-N 3.49Å; L404-K407 PolarHBondContact O-N 2.95Å; K407-Q409 PolarHBondContact O-N 3.46Å
408L97.6Very high96.2Very high41 Ų4161.3 Ų61.322%0.21532%0.318CS..THydrogen-bonded Turntrans-81.4-1.2179.3-66.7177.1000113.3C332 L404 Q406 C410C332-L408 HydrophobicContact CB-CB 4.37Å; C332-L408 HydrophobicContact CB-CD1 4.27Å; L404-L408 HydrophobicContact CD1-CD1 3.77Å; L404-L408 HydrophobicContact CD1-CG 4.09Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.49Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.39Å; Q406-L408 VanDerWaalsContact C-N 3.31Å; Q406-L408 PolarHBondContact O-N 3.12Å; L408-C410 WeakPolarHBondContact CB-SG 3.24Å; L408-C410 PolarHBondContact O-N 2.92Å
409Q97.9Very high96.1Very high172 Ų17264.4 Ų64.480%0.80433%0.334SS*.THydrogen-bonded Turntrans51.943.6-178-58.5-178.8-1200112.2R405 Q406 K407R405-Q409 PolarHBondContact O-N 3.19Å; Q406-Q409 PolarHBondContact O-N 2.86Å; K407-Q409 PolarHBondContact O-N 3.46Å
410C98.3Very high96Very high20 Ų2061.2 Ų61.214%0.13531%0.312CS..PPolyproline II helixtrans-66.4145.1-176.2-48.50000110.9Q331 C332 W375 R405 L408Q331-C410 HydrophobicContact CB-CB 4.12Å; Q331-C410 CarbonylContact O-C 3.54Å; Q331-C410 VanDerWaalsContact O-CA 3.29Å; Q331-C410 WeakPolarHBondContact O-CA 3.47Å; C332-C410 HydrophobicContact CB-CB 4.06Å; C332-C410 WeakPolarHBondContact CB-SG 3.49Å; C332-C410 WeakPolarHBondContact SG-CB 3.47Å; C332-C410 CovalentContact SG-SG 2.04Å; C332-C410 PolarHBondContact SG-SG 3.45Å; W375-C410 HydrophobicContact CZ3-CB 4.27Å; R405-C410 HydrophobicContact CG-CB 3.85Å; R405-C410 PolarHBondContact O-N 3.26Å; R405-C410 VanDerWaalsContact O-N 3.14Å; R405-C410 PolarHBondContact O-SG 2.82Å; R405-C410 VanDerWaalsContact O-SG 3.41Å; L408-C410 WeakPolarHBondContact CB-SG 3.24Å; L408-C410 PolarHBondContact O-N 2.92Å
411K98.3Very high95.8Very high91 Ų9157 Ų5740%0.39629%0.286SS..PPolyproline II helixtrans-67.2156.1179-60-177-173.8-65.90111.1Q331 W415Q331-K411 PolarHBondContact O-N 2.84Å; Q331-K411 PolarHBondContact OE1-O 3.34Å; K411-W415 HydrophobicContact CB-CB 4.18Å; K411-W415 HydrophobicContact CB-CD2 3.89Å; K411-W415 HydrophobicContact CB-CE3 3.77Å; K411-W415 HydrophobicContact CB-CG 4.04Å; K411-W415 HydrophobicContact CD-CD2 3.24Å; K411-W415 HydrophobicContact CD-CE3 3.53Å; K411-W415 HydrophobicContact CD-CG 3.78Å; K411-W415 HydrophobicContact CD-CH2 3.83Å; K411-W415 HydrophobicContact CD-CZ2 3.56Å; K411-W415 HydrophobicContact CD-CZ3 3.82Å; K411-W415 HydrophobicContact CG-CD2 4.19Å; K411-W415 HydrophobicContact CG-CE3 4.28Å; K411-W415 HydrophobicContact CG-CG 4.48Å
412P97.2Very high95.3Very high61 Ų6157.2 Ų57.240%0.39629%0.291SS..PPolyproline II helixtrans-69.5161.9175.929.7-35.7000112.1D377 S414 W415 Y416D377-P412 WeakPolarHBondContact OD2-CA 3.44Å; P412-S414 VanDerWaalsContact C-N 3.27Å; P412-S414 PolarHBondContact O-N 3.45Å; P412-W415 HydrophobicContact CG-CB 4.13Å; P412-W415 WeakPolarHBondContact O-CB 3.32Å; P412-W415 PolarHBondContact O-N 2.96Å; P412-W415 VanDerWaalsContact O-N 3.15Å; P412-Y416 PolarHBondContact O-N 2.98Å
413F95.8Very high94.6Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-66.9-28.3179.2-163-110.3000112.8F261 W263 F327 W375 M376 D377 F379 W415 Y416 L417F261-F413 AromaticContact CZ-CZ 3.9Å; F261-F413 HydrophobicContact CZ-CZ 3.9Å; W263-F413 AromaticContact CH2-CE1 3.92Å; W263-F413 HydrophobicContact CH2-CE1 3.92Å; W263-F413 HydrophobicContact CZ3-CE1 4.23Å; F327-F413 HydrophobicContact CD1-CE2 4.14Å; F327-F413 AromaticContact CD2-CE2 3.98Å; F327-F413 HydrophobicContact CD2-CE2 3.98Å; F327-F413 HydrophobicContact CE1-CE2 4.13Å; F327-F413 HydrophobicContact CE1-CZ 4.45Å; F327-F413 AromaticContact CE2-CE2 3.95Å; F327-F413 HydrophobicContact CE2-CE2 3.95Å; F327-F413 HydrophobicContact CE2-CZ 4.26Å; F327-F413 HydrophobicContact CG-CE2 4.08Å; F327-F413 HydrophobicContact CZ-CE2 4.04Å; F327-F413 HydrophobicContact CZ-CZ 4.12Å; W375-F413 WeakPolarHBondContact O-CB 3.33Å; W375-F413 WeakPolarHBondContact O-CD2 3.41Å; M376-F413 HydrophobicContact CB-CD1 4.42Å; M376-F413 HydrophobicContact CB-CG 4.49Å; M376-F413 HydrophobicContact CE-CE1 4.4Å; M376-F413 HydrophobicContact CG-CD2 4.46Å; M376-F413 HydrophobicContact CG-CE1 4.3Å; M376-F413 HydrophobicContact CG-CE2 4.17Å; M376-F413 HydrophobicContact CG-CZ 4.07Å; D377-F413 HydrophobicContact CB-CB 4.43Å; D377-F413 PolarHBondContact OD2-N 2.84Å; F379-F413 HydrophobicContact CB-CD1 3.76Å; F379-F413 HydrophobicContact CB-CE1 4.06Å; F379-F413 HydrophobicContact CD2-CB 4.18Å; F379-F413 AromaticContact CD2-CD1 3.68Å; F379-F413 HydrophobicContact CD2-CD1 3.68Å; F379-F413 HydrophobicContact CD2-CG 4.42Å; F379-F413 HydrophobicContact CE2-CD1 4.46Å; F379-F413 AromaticContact CG-CD1 3.78Å; F379-F413 HydrophobicContact CG-CD1 3.78Å; F379-F413 HydrophobicContact CG-CE1 4.35Å; F413-W415 VanDerWaalsContact C-N 3.31Å; F413-W415 PolarHBondContact O-N 3.03Å; F413-Y416 AromaticContact CD2-CD1 3.99Å; F413-Y416 HydrophobicContact CD2-CD1 3.99Å; F413-Y416 HydrophobicContact CD2-CG 4.35Å; F413-Y416 AromaticContact CE2-CD1 3.58Å; F413-Y416 HydrophobicContact CE2-CD1 3.58Å; F413-Y416 AromaticContact CE2-CE1 3.97Å; F413-Y416 HydrophobicContact CE2-CE1 3.97Å; F413-Y416 HydrophobicContact CE2-CG 4.29Å; F413-Y416 AromaticContact CZ-CD1 4Å; F413-Y416 HydrophobicContact CZ-CD1 4Å; F413-Y416 HydrophobicContact CZ-CE1 4.21Å; F413-Y416 WeakPolarHBondContact O-CB 3.29Å; F413-Y416 PolarHBondContact O-N 3.3Å; F413-Y416 VanDerWaalsContact O-N 3.11Å; F413-L417 HydrophobicContact CD1-CD1 3.86Å; F413-L417 HydrophobicContact CD1-CG 4.02Å; F413-L417 HydrophobicContact CE1-CD1 3.85Å; F413-L417 HydrophobicContact CE1-CD2 3.94Å; F413-L417 HydrophobicContact CE1-CG 3.88Å; F413-L417 HydrophobicContact CZ-CD2 4.3Å; F413-L417 WeakPolarHBondContact O-CG 3.45Å; F413-L417 PolarHBondContact O-N 2.8Å
414S91.4Very high93.8Very high32 Ų3257.2 Ų57.222%0.22428%0.282CS..Hα-helixtrans-55.8-46.117051.10000111.6P412 Y416 L417 E418P412-S414 VanDerWaalsContact C-N 3.27Å; P412-S414 PolarHBondContact O-N 3.45Å; S414-Y416 VanDerWaalsContact C-N 3.31Å; S414-Y416 PolarHBondContact O-N 3.29Å; S414-L417 PolarHBondContact O-N 2.81Å; S414-E418 WeakPolarHBondContact O-CG 3.18Å; S414-E418 PolarHBondContact O-N 2.75Å
415W95.3Very high92.3Very high65 Ų6557.6 Ų57.625%0.24628%0.283CS..Hα-helixtrans-60.5-40.7174.7175.690.8000111.7W330 K411 P412 F413 E418 N419 V420W330-W415 WeakPolarHBondContact O-CZ3 3.41Å; K411-W415 HydrophobicContact CB-CB 4.18Å; K411-W415 HydrophobicContact CB-CD2 3.89Å; K411-W415 HydrophobicContact CB-CE3 3.77Å; K411-W415 HydrophobicContact CB-CG 4.04Å; K411-W415 HydrophobicContact CD-CD2 3.24Å; K411-W415 HydrophobicContact CD-CE3 3.53Å; K411-W415 HydrophobicContact CD-CG 3.78Å; K411-W415 HydrophobicContact CD-CH2 3.83Å; K411-W415 HydrophobicContact CD-CZ2 3.56Å; K411-W415 HydrophobicContact CD-CZ3 3.82Å; K411-W415 HydrophobicContact CG-CD2 4.19Å; K411-W415 HydrophobicContact CG-CE3 4.28Å; K411-W415 HydrophobicContact CG-CG 4.48Å; P412-W415 HydrophobicContact CG-CB 4.13Å; P412-W415 WeakPolarHBondContact O-CB 3.32Å; P412-W415 PolarHBondContact O-N 2.96Å; P412-W415 VanDerWaalsContact O-N 3.15Å; F413-W415 VanDerWaalsContact C-N 3.31Å; F413-W415 PolarHBondContact O-N 3.03Å; W415-E418 PolarHBondContact O-N 3.41Å; W415-N419 HydrophobicContact CD2-CB 4.24Å; W415-N419 HydrophobicContact CH2-CB 4.46Å; W415-N419 HydrophobicContact CZ2-CB 3.9Å; W415-N419 PolarHBondContact NE1-ND2 3.21Å; W415-N419 WeakPolarHBondContact O-CB 3.42Å; W415-N419 PolarHBondContact O-N 2.94Å; W415-N419 PolarHBondContact O-ND2 3.36Å; W415-V420 HydrophobicContact CH2-CG2 4.09Å; W415-V420 HydrophobicContact CZ3-CG2 3.92Å
416Y96.1Very high90.8Very high0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-61.5-46.2177.5170.5-91.2000111.5F261 P291 F327 W330 P412 F413 S414 E418 V420 Y421F261-Y416 AromaticContact CE1-CE1 4Å; F261-Y416 HydrophobicContact CE1-CE1 4Å; F261-Y416 HydrophobicContact CZ-CE1 4.48Å; P291-Y416 WeakPolarHBondContact CB-OH 3.36Å; P291-Y416 PolarHBondContact O-OH 3.11Å; F327-Y416 HydrophobicContact CD1-CE1 4.06Å; F327-Y416 HydrophobicContact CD1-CE2 4.17Å; F327-Y416 AromaticContact CD1-CZ 3.73Å; F327-Y416 AromaticContact CE1-CE1 3.97Å; F327-Y416 HydrophobicContact CE1-CE1 3.97Å; F327-Y416 AromaticContact CE1-CZ 3.88Å; W330-Y416 HydrophobicContact CB-CD2 3.69Å; W330-Y416 HydrophobicContact CB-CE2 3.84Å; W330-Y416 AromaticContact CD1-CE2 3.72Å; W330-Y416 HydrophobicContact CG-CD2 4.2Å; W330-Y416 AromaticContact CG-CE2 3.94Å; W330-Y416 HydrophobicContact CG-CE2 3.94Å; P412-Y416 PolarHBondContact O-N 2.98Å; F413-Y416 AromaticContact CD2-CD1 3.99Å; F413-Y416 HydrophobicContact CD2-CD1 3.99Å; F413-Y416 HydrophobicContact CD2-CG 4.35Å; F413-Y416 AromaticContact CE2-CD1 3.58Å; F413-Y416 HydrophobicContact CE2-CD1 3.58Å; F413-Y416 AromaticContact CE2-CE1 3.97Å; F413-Y416 HydrophobicContact CE2-CE1 3.97Å; F413-Y416 HydrophobicContact CE2-CG 4.29Å; F413-Y416 AromaticContact CZ-CD1 4Å; F413-Y416 HydrophobicContact CZ-CD1 4Å; F413-Y416 HydrophobicContact CZ-CE1 4.21Å; F413-Y416 WeakPolarHBondContact O-CB 3.29Å; F413-Y416 PolarHBondContact O-N 3.3Å; F413-Y416 VanDerWaalsContact O-N 3.11Å; S414-Y416 VanDerWaalsContact C-N 3.31Å; S414-Y416 PolarHBondContact O-N 3.29Å; Y416-E418 VanDerWaalsContact C-N 3.3Å; Y416-E418 PolarHBondContact O-N 2.9Å; Y416-V420 HydrophobicContact CD2-CB 3.81Å; Y416-V420 HydrophobicContact CD2-CG1 4.1Å; Y416-V420 HydrophobicContact CD2-CG2 3.94Å; Y416-V420 HydrophobicContact CE2-CB 3.91Å; Y416-V420 HydrophobicContact CE2-CG1 3.68Å; Y416-V420 HydrophobicContact CE2-CG2 4.37Å; Y416-V420 HydrophobicContact CG-CB 4.4Å; Y416-V420 WeakPolarHBondContact O-CA 3.41Å; Y416-V420 VanDerWaalsContact O-CB 3.27Å; Y416-V420 WeakPolarHBondContact O-CB 3.36Å; Y416-V420 PolarHBondContact O-N 2.79Å; Y416-Y421 PolarHBondContact O-N 3.17Å
417L91.9Very high89.1Confident7 Ų750.1 Ų50.14%0.03725%0.251CS..Hα-helixtrans-65.2-33.2176.4-65.5174.2000112.3W263 F379 F413 S414 Y421 P422W263-L417 HydrophobicContact CH2-CD1 3.84Å; W263-L417 HydrophobicContact CH2-CD2 4.14Å; W263-L417 HydrophobicContact CZ2-CD1 4.17Å; W263-L417 HydrophobicContact CZ2-CD2 3.93Å; F379-L417 HydrophobicContact CD1-CD1 3.62Å; F379-L417 HydrophobicContact CD2-CD1 4.4Å; F379-L417 HydrophobicContact CE1-CD1 3.51Å; F379-L417 HydrophobicContact CE2-CD1 4.31Å; F379-L417 HydrophobicContact CG-CD1 4.08Å; F379-L417 HydrophobicContact CZ-CD1 3.88Å; F413-L417 HydrophobicContact CD1-CD1 3.86Å; F413-L417 HydrophobicContact CD1-CG 4.02Å; F413-L417 HydrophobicContact CE1-CD1 3.85Å; F413-L417 HydrophobicContact CE1-CD2 3.94Å; F413-L417 HydrophobicContact CE1-CG 3.88Å; F413-L417 HydrophobicContact CZ-CD2 4.3Å; F413-L417 WeakPolarHBondContact O-CG 3.45Å; F413-L417 PolarHBondContact O-N 2.8Å; S414-L417 PolarHBondContact O-N 2.81Å; L417-Y421 CarbonylContact O-C 3.48Å; L417-Y421 VanDerWaalsContact O-O 3.12Å; L417-P422 WeakPolarHBondContact O-CA 3.25Å
418E89.4Confident87.5Confident104 Ų10448.1 Ų48.149%0.48624%0.239SC..Hα-helixtrans-77-39.6179.5-73.9170.9-174.700113.5S414 W415 Y416S414-E418 WeakPolarHBondContact O-CG 3.18Å; S414-E418 PolarHBondContact O-N 2.75Å; W415-E418 PolarHBondContact O-N 3.41Å; Y416-E418 VanDerWaalsContact C-N 3.3Å; Y416-E418 PolarHBondContact O-N 2.9Å
419N92.8Very high86Confident86 Ų8652.8 Ų52.846%0.4626%0.259SS..Hα-helixtrans-105.5-29.8-166.5-66.2-95.5000113W415W415-N419 HydrophobicContact CD2-CB 4.24Å; W415-N419 HydrophobicContact CH2-CB 4.46Å; W415-N419 HydrophobicContact CZ2-CB 3.9Å; W415-N419 PolarHBondContact NE1-ND2 3.21Å; W415-N419 WeakPolarHBondContact O-CB 3.42Å; W415-N419 PolarHBondContact O-N 2.94Å; W415-N419 PolarHBondContact O-ND2 3.36Å
420V94.6Very high85Confident8 Ų849.1 Ų49.15%0.04824%0.239CC..THydrogen-bonded Turntrans-104.8-48.4-175.5-1770000110.8R275 P291 W330 W415 Y416 P422R275-V420 PolarHBondContact NH2-O 2.93Å; P291-V420 HydrophobicContact CB-CG1 4.34Å; W330-V420 HydrophobicContact CB-CG2 4.11Å; W330-V420 HydrophobicContact CD2-CB 4.28Å; W330-V420 HydrophobicContact CD2-CG1 3.57Å; W330-V420 HydrophobicContact CD2-CG2 3.66Å; W330-V420 VanDerWaalsContact CE2-CG1 3.45Å; W330-V420 HydrophobicContact CE3-CG1 4.21Å; W330-V420 HydrophobicContact CE3-CG2 3.59Å; W330-V420 HydrophobicContact CG-CB 4.43Å; W330-V420 HydrophobicContact CG-CG1 3.76Å; W330-V420 HydrophobicContact CG-CG2 3.92Å; W330-V420 HydrophobicContact CZ2-CG1 4Å; W330-V420 HydrophobicContact CZ3-CG2 4.23Å; W415-V420 HydrophobicContact CH2-CG2 4.09Å; W415-V420 HydrophobicContact CZ3-CG2 3.92Å; Y416-V420 HydrophobicContact CD2-CB 3.81Å; Y416-V420 HydrophobicContact CD2-CG1 4.1Å; Y416-V420 HydrophobicContact CD2-CG2 3.94Å; Y416-V420 HydrophobicContact CE2-CB 3.91Å; Y416-V420 HydrophobicContact CE2-CG1 3.68Å; Y416-V420 HydrophobicContact CE2-CG2 4.37Å; Y416-V420 HydrophobicContact CG-CB 4.4Å; Y416-V420 WeakPolarHBondContact O-CA 3.41Å; Y416-V420 VanDerWaalsContact O-CB 3.27Å; Y416-V420 WeakPolarHBondContact O-CB 3.36Å; Y416-V420 PolarHBondContact O-N 2.79Å; V420-P422 WeakPolarHBondContact O-CD 3.31Å
421Y93.1Very high84.2Confident3 Ų355.2 Ų55.21%0.01226%0.26CS..  trans-125.557.2-176.2-161.9-155.1000114.4F261 Y270 P291 Y416 L417 D423 S424F261-Y421 HydrophobicContact CD1-CD1 4.06Å; F261-Y421 AromaticContact CD1-CE1 3.83Å; F261-Y421 HydrophobicContact CD1-CE1 3.83Å; F261-Y421 AromaticContact CE1-CD1 3.58Å; F261-Y421 HydrophobicContact CE1-CD1 3.58Å; F261-Y421 AromaticContact CE1-CE1 3.75Å; F261-Y421 HydrophobicContact CE1-CE1 3.75Å; F261-Y421 HydrophobicContact CZ-CD1 4.31Å; F261-Y421 HydrophobicContact CZ-CE1 4.46Å; F261-Y421 PolarHBondContact O-OH 3.28Å; Y270-Y421 WeakPolarHBondContact CE2-OH 3.44Å; P291-Y421 HydrophobicContact CB-CD1 4.23Å; P291-Y421 HydrophobicContact CB-CD2 4.08Å; P291-Y421 HydrophobicContact CB-CG 3.82Å; P291-Y421 HydrophobicContact CG-CD2 3.49Å; P291-Y421 VanDerWaalsContact CG-CD2 3.49Å; P291-Y421 HydrophobicContact CG-CE2 4.13Å; P291-Y421 HydrophobicContact CG-CG 3.72Å; Y416-Y421 PolarHBondContact O-N 3.17Å; L417-Y421 CarbonylContact O-C 3.48Å; L417-Y421 VanDerWaalsContact O-O 3.12Å; Y421-D423 HydrophobicContact CD2-CB 4.47Å; Y421-D423 HydrophobicContact CE2-CB 4.41Å; Y421-D423 PolarHBondContact O-N 2.92Å; Y421-S424 VanDerWaalsContact O-CB 3.26Å; Y421-S424 WeakPolarHBondContact O-CB 3.13Å; Y421-S424 PolarHBondContact O-N 2.93Å; Y421-S424 VanDerWaalsContact O-N 3.08Å
422P86.3Confident83.5Confident35 Ų3551.2 Ų51.223%0.22724%0.244CC..THydrogen-bonded Turntrans-63.8-19.9178.427.4-36.8000113.7L417 V420 S424L417-P422 WeakPolarHBondContact O-CA 3.25Å; V420-P422 WeakPolarHBondContact O-CD 3.31Å; P422-S424 PolarHBondContact O-N 3.4Å
423D82.3Confident82.8Confident74 Ų7448.7 Ų48.740%0.39623%0.227SC..THydrogen-bonded Turntrans-83.54.1178-43.8-76.3000112.6R275 Y421R275-D423 IonicContact CZ-OD2 2.79Å; R275-D423 VanDerWaalsContact CZ-OD2 3.26Å; R275-D423 IonicContact NE-OD2 3.85Å; R275-D423 PolarHBondContact NE-OD2 2.81Å; R275-D423 IonicContact NH2-OD2 2.91Å; R275-D423 PolarHBondContact NH2-OD2 3.4Å; Y421-D423 HydrophobicContact CD2-CB 4.47Å; Y421-D423 HydrophobicContact CE2-CB 4.41Å; Y421-D423 PolarHBondContact O-N 2.92Å
424S81Confident82.1Confident14 Ų1448.7 Ų48.710%0.09823%0.227CC..  trans-59.3144.3176.3-176.30000112W263 Y421 P422 I426W263-S424 WeakPolarHBondContact CZ2-OG 3.38Å; W263-S424 PolarHBondContact NE1-OG 2.83Å; Y421-S424 VanDerWaalsContact O-CB 3.26Å; Y421-S424 WeakPolarHBondContact O-CB 3.13Å; Y421-S424 PolarHBondContact O-N 2.93Å; Y421-S424 VanDerWaalsContact O-N 3.08Å; P422-S424 PolarHBondContact O-N 3.4Å; S424-I426 PolarHBondContact O-N 3.37Å
425Q66Low81.9Confident34 Ų3448.3 Ų48.316%0.15922%0.221CC..SBendtrans-75.1-21.9-170.8-70166.9-3.800114.6Y270 R480 D483Y270-Q425 PolarHBondContact OH-NE2 2.87Å; Q425-R480 PolarHBondContact O-NH1 2.82Å; Q425-D483 VanDerWaalsContact CD-CB 3.44Å
426I65.8Low81.7Confident21 Ų2145.3 Ų45.311%0.10821%0.21CC..SBendtrans-76.4133.9176-82.8-175.7000109.5W263 F382 I386 S424 R428W263-I426 HydrophobicContact CB-CD1 3.69Å; W263-I426 HydrophobicContact CB-CG1 4.18Å; W263-I426 HydrophobicContact CD2-CB 3.98Å; W263-I426 HydrophobicContact CD2-CD1 3.15Å; W263-I426 HydrophobicContact CD2-CG1 3.6Å; W263-I426 HydrophobicContact CE3-CD1 3.53Å; W263-I426 HydrophobicContact CE3-CG1 4.41Å; W263-I426 HydrophobicContact CG-CB 4.22Å; W263-I426 HydrophobicContact CG-CD1 3.22Å; W263-I426 HydrophobicContact CG-CG1 3.43Å; W263-I426 VanDerWaalsContact CG-CG1 3.43Å; W263-I426 HydrophobicContact CH2-CB 4.37Å; W263-I426 HydrophobicContact CH2-CD1 4.39Å; W263-I426 HydrophobicContact CZ2-CB 3.58Å; W263-I426 HydrophobicContact CZ2-CD1 4.16Å; W263-I426 HydrophobicContact CZ2-CG1 4.19Å; W263-I426 HydrophobicContact CZ2-CG2 4.13Å; W263-I426 HydrophobicContact CZ3-CD1 4.14Å; F382-I426 HydrophobicContact CB-CD1 3.56Å; F382-I426 HydrophobicContact CD1-CD1 3.8Å; F382-I426 HydrophobicContact CD1-CG2 4.28Å; F382-I426 HydrophobicContact CD2-CD1 4.47Å; F382-I426 HydrophobicContact CE1-CG2 4.29Å; F382-I426 HydrophobicContact CG-CD1 3.7Å; I386-I426 HydrophobicContact CD1-CD1 4.39Å; S424-I426 PolarHBondContact O-N 3.37Å; I426-R428 PolarHBondContact O-N 2.85Å
427P61.7Low81.5Confident12 Ų1247.4 Ų47.48%0.07822%0.218CC..  trans-66.2122.1175.8-8.524.6000108.7H429 T474P427-H429 WeakPolarHBondContact CB-O 3.3Å; P427-H429 PolarHBondContact O-N 2.86Å; P427-H429 VanDerWaalsContact O-N 3.13Å; P427-T474 HydrophobicContact CB-CG2 3.87Å; P427-T474 HydrophobicContact CG-CG2 3.23Å
428R63.6Low81.6Confident131 Ų13147.1 Ų47.149%0.49422%0.217SC..SBendtrans-52.2-31.5167.5-71.5179.9-91.6171.6-7.8111.7I426I426-R428 PolarHBondContact O-N 2.85Å
429H68Low81.9Confident139 Ų13943.6 Ų43.664%0.64420%0.202SC*.SBendtrans-130.6121.5175.3-54.6-61.4000109.4P427 A475P427-H429 WeakPolarHBondContact CB-O 3.3Å; P427-H429 PolarHBondContact O-N 2.86Å; P427-H429 VanDerWaalsContact O-N 3.13Å; H429-A475 HydrophobicContact CB-CB 3.63Å; H429-A475 VanDerWaalsContact O-CB 3.32Å; H429-A475 WeakPolarHBondContact O-CB 3.35Å; H429-A475 PolarHBondContact O-N 3.35Å
430Y76.6Confident81.9Confident95 Ų9543.8 Ų43.837%0.37320%0.2SC..EExtended strand (participates in β ladder)trans-132.5149.4176.561.1-78000109F382 L433 Y473F382-Y430 HydrophobicContact CE1-CD1 4.06Å; F382-Y430 AromaticContact CE1-CE1 3.44Å; F382-Y430 HydrophobicContact CE1-CE1 3.44Å; F382-Y430 VanDerWaalsContact CE1-CE1 3.44Å; F382-Y430 HydrophobicContact CE1-CE2 4.36Å; F382-Y430 AromaticContact CE1-CZ 3.56Å; F382-Y430 HydrophobicContact CZ-CD1 4.19Å; F382-Y430 AromaticContact CZ-CE1 3.3Å; F382-Y430 HydrophobicContact CZ-CE1 3.3Å; F382-Y430 AromaticContact CZ-CZ 3.63Å; F382-Y430 WeakPolarHBondContact CZ-OH 3.26Å; Y430-L433 HydrophobicContact CD2-CB 3.72Å; Y430-L433 HydrophobicContact CE2-CB 3.56Å; Y430-Y473 CarbonylContact C-O 3.54Å; Y430-Y473 WeakPolarHBondContact CA-O 3.33Å; Y430-Y473 WeakPolarHBondContact CB-O 3.49Å
431Y81.6Confident81.8Confident148 Ų14845.6 Ų45.658%0.5821%0.211SC*.EExtended strand (participates in β ladder)trans-86.8-34.1173.7-63.8-64.6000111.4Y473 T474Y431-Y473 AromaticContact CD2-CD1 3.72Å; Y431-Y473 HydrophobicContact CD2-CD1 3.72Å; Y431-Y473 AromaticContact CD2-CE1 3.52Å; Y431-Y473 HydrophobicContact CD2-CE1 3.52Å; Y431-Y473 HydrophobicContact CE2-CE1 4.27Å; Y431-Y473 HydrophobicContact CG-CD1 4.15Å; Y431-Y473 HydrophobicContact CG-CE1 4.21Å; Y431-Y473 PolarHBondContact N-O 2.81Å; Y431-T474 WeakPolarHBondContact CD2-O 3.04Å
432S83.4Confident81.7Confident7 Ų749.7 Ų49.75%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-147.7144.2179.1-178.50000111.5S472 Y473 L553 N555S432-S472 CarbonylContact O-C 3.54Å; S432-S472 WeakPolarHBondContact O-CA 3.33Å; S432-Y473 PolarHBondContact N-O 2.79Å; S432-Y473 PolarHBondContact O-N 3.47Å; S432-L553 WeakPolarHBondContact OG-CB 3.34Å; S432-N555 VanDerWaalsContact CA-OD1 3.23Å; S432-N555 WeakPolarHBondContact CA-OD1 3.33Å; S432-N555 PolarHBondContact OG-OD1 3.44Å; S432-N555 VanDerWaalsContact OG-OD1 3.13Å
433L81.6Confident81.9Confident8 Ų850.2 Ų50.24%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-137.5109173.4178.382.8000109.2F382 I385 Y430 V470 N555 V556F382-L433 HydrophobicContact CD1-CD1 4.21Å; F382-L433 HydrophobicContact CD1-CD2 3.28Å; F382-L433 HydrophobicContact CD1-CG 4.33Å; F382-L433 HydrophobicContact CE1-CD2 3.56Å; F382-L433 HydrophobicContact CG-CD2 4.36Å; I385-L433 HydrophobicContact CD1-CD2 3.66Å; Y430-L433 HydrophobicContact CD2-CB 3.72Å; Y430-L433 HydrophobicContact CE2-CB 3.56Å; L433-V470 HydrophobicContact CD1-CG1 4.24Å; L433-N555 PolarHBondContact N-OD1 3.26Å; L433-N555 VanDerWaalsContact O-CA 3.29Å; L433-N555 WeakPolarHBondContact O-CA 3.33Å; L433-V556 PolarHBondContact O-N 3.4Å; L433-V556 VanDerWaalsContact O-N 3.07Å
434G81.4Confident82.3Confident0 Ų046.7 Ų46.70%021%0.214CC..EExtended strand (participates in β ladder)trans160.2-141.3175.500000113.7Q469 F471 R554G434-Q469 CarbonylContact C-O 3.36Å; G434-Q469 WeakPolarHBondContact CA-O 3.35Å; G434-F471 PolarHBondContact N-O 3.08Å; G434-F471 PolarHBondContact O-N 2.88Å; G434-F471 VanDerWaalsContact O-N 3.14Å; G434-R554 WeakPolarHBondContact CA-O 3.37Å
435E86.5Confident82.8Confident23 Ų2346 Ų4611%0.10721%0.209CC..EExtended strand (participates in β ladder)trans-80.5139.917869.4178.5-151.800110.8R437 R554E435-R437 IonicContact OE1-NH1 3.24Å; E435-R437 PolarHBondContact OE1-NH1 2.71Å; E435-R554 HydrophobicContact CG-CB 3.74Å; E435-R554 PolarHBondContact N-O 2.93Å; E435-R554 VanDerWaalsContact N-O 3.16Å; E435-R554 PolarHBondContact O-N 2.66Å; E435-R554 VanDerWaalsContact OE1-CD 3.26Å; E435-R554 WeakPolarHBondContact OE1-CD 3.24Å; E435-R554 IonicContact OE1-NH1 2.99Å
436I91.6Very high83.9Confident3 Ų344.7 Ų44.72%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-108.5104.9169.4-62.8177.4000106.4C444 L445 F471 I479 L518 W551 L553I436-C444 CarbonylContact O-C 3.05Å; I436-C444 WeakPolarHBondContact O-CA 3.45Å; I436-L445 HydrophobicContact CB-CB 4.36Å; I436-L445 HydrophobicContact CB-CD1 3.91Å; I436-L445 HydrophobicContact CB-CG 4.11Å; I436-L445 HydrophobicContact CD1-CD1 4.06Å; I436-L445 HydrophobicContact CG2-CD1 3.74Å; I436-L445 HydrophobicContact CG2-CG 4.04Å; I436-L445 PolarHBondContact O-N 3.12Å; I436-F471 HydrophobicContact CD1-CB 3.52Å; I436-F471 HydrophobicContact CD1-CG 4.11Å; I436-F471 HydrophobicContact CG1-CB 3.92Å; I436-I479 HydrophobicContact CD1-CG2 3.74Å; I436-L518 HydrophobicContact CG2-CD1 4.06Å; I436-W551 HydrophobicContact CG2-CB 4.05Å; I436-W551 HydrophobicContact CG2-CD2 4.29Å; I436-W551 HydrophobicContact CG2-CE3 3.81Å; I436-W551 HydrophobicContact CG2-CG 4.42Å; I436-L553 HydrophobicContact CG1-CD1 4.27Å; I436-L553 HydrophobicContact CG1-CG 4.34Å; I436-L553 HydrophobicContact CG2-CD1 4.2Å
437R92.7Very high84.9Confident44 Ų4444.7 Ų44.717%0.16620%0.203CC..EExtended strand (participates in β ladder)trans-110127.9-167.9179.1176.8-175.4149.5-1.2112E435 N442 W551 L552E435-R437 IonicContact OE1-NH1 3.24Å; E435-R437 PolarHBondContact OE1-NH1 2.71Å; R437-N442 PolarHBondContact NE-OD1 3.27Å; R437-N442 PolarHBondContact NH2-ND2 2.72Å; R437-N442 PolarHBondContact NH2-OD1 2.75Å; R437-W551 CarbonylContact O-C 3.6Å; R437-W551 WeakPolarHBondContact O-CA 3.29Å; R437-L552 HydrophobicContact CB-CB 4.44Å; R437-L552 PolarHBondContact N-O 2.91Å; R437-L552 PolarHBondContact O-N 2.98Å
438N94.1Very high85.9Confident1 Ų146.5 Ų46.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-72136.3174.6-169.5-92000111.3E440 T441 N442 Q443 S548 W551N438-E440 WeakPolarHBondContact OD1-CB 3.5Å; N438-E440 PolarHBondContact OD1-N 2.8Å; N438-T441 PolarHBondContact OD1-N 2.86Å; N438-T441 PolarHBondContact OD1-OG1 3.33Å; N438-N442 VanDerWaalsContact O-CA 3.32Å; N438-N442 WeakPolarHBondContact O-CA 3.38Å; N438-N442 PolarHBondContact O-N 3.48Å; N438-N442 VanDerWaalsContact O-N 3.15Å; N438-Q443 PolarHBondContact N-O 3.37Å; N438-S548 PolarHBondContact ND2-O 2.85Å; N438-W551 HydrophobicContact CB-CD2 4.43Å; N438-W551 HydrophobicContact CB-CE3 3.85Å; N438-W551 HydrophobicContact CB-CH2 3.92Å; N438-W551 HydrophobicContact CB-CZ2 4.45Å; N438-W551 HydrophobicContact CB-CZ3 3.6Å; N438-W551 WeakPolarHBondContact ND2-CZ2 3.36Å
439V94.4Very high86.7Confident29 Ų2943.6 Ų43.618%0.17622%0.216CC..THydrogen-bonded Turntrans-76.7-26.8-176.1172.90000113.2R547 Q550 L552V439-R547 PolarHBondContact O-NH2 3.3Å; V439-Q550 HydrophobicContact CB-CB 3.8Å; V439-Q550 HydrophobicContact CG1-CB 4.49Å; V439-Q550 HydrophobicContact CG2-CB 3.7Å; V439-Q550 WeakPolarHBondContact CG2-O 3.25Å; V439-Q550 PolarHBondContact N-O 3.27Å; V439-L552 HydrophobicContact CG2-CD1 4.11Å; V439-L552 HydrophobicContact CG2-CD2 4.34Å; V439-L552 HydrophobicContact CG2-CG 3.75Å
440E94.1Very high87.5Confident91 Ų9139.8 Ų39.843%0.42520%0.195SC..THydrogen-bonded Turntrans-86.2-54.2-179.9-170.8-172.8-177.300111.8N438 K529 R547 S548N438-E440 WeakPolarHBondContact OD1-CB 3.5Å; N438-E440 PolarHBondContact OD1-N 2.8Å; E440-K529 IonicContact OE1-NZ 2.66Å; E440-K529 PolarHBondContact OE1-NZ 3.23Å; E440-K529 VanDerWaalsContact OE2-CD 3.27Å; E440-K529 WeakPolarHBondContact OE2-CD 3.46Å; E440-K529 VanDerWaalsContact OE2-CE 3.25Å; E440-K529 WeakPolarHBondContact OE2-CE 3.21Å; E440-K529 IonicContact OE2-NZ 3.84Å; E440-K529 PolarHBondContact OE2-NZ 3.24Å; E440-R547 HydrophobicContact CB-CB 4.02Å; E440-R547 HydrophobicContact CG-CB 4.48Å; E440-R547 PolarHBondContact N-O 3.47Å; E440-S548 VanDerWaalsContact OE2-CA 3.28Å; E440-S548 WeakPolarHBondContact OE2-CA 3.25Å; E440-S548 WeakPolarHBondContact OE2-CB 3.39Å
441T91.6Very high87.8Confident45 Ų4542.9 Ų42.928%0.27621%0.211SC..THydrogen-bonded Turntrans-84.7-15.6-17466.50000113.2N438 Q443 K529N438-T441 PolarHBondContact OD1-N 2.86Å; N438-T441 PolarHBondContact OD1-OG1 3.33Å; T441-Q443 PolarHBondContact O-N 2.73Å; T441-Q443 WeakPolarHBondContact OG1-CB 3.42Å; T441-Q443 PolarHBondContact OG1-N 3.13Å; T441-Q443 PolarHBondContact OG1-OE1 2.88Å; T441-K529 HydrophobicContact CG2-CB 4.38Å; T441-K529 HydrophobicContact CG2-CD 3.69Å
442N91Very high88.1Confident90 Ų9039.6 Ų39.648%0.48120%0.201SC..  trans62.815.6-174.4-143.634.4000113.9R437 N438 C461R437-N442 PolarHBondContact NE-OD1 3.27Å; R437-N442 PolarHBondContact NH2-ND2 2.72Å; R437-N442 PolarHBondContact NH2-OD1 2.75Å; N438-N442 VanDerWaalsContact O-CA 3.32Å; N438-N442 WeakPolarHBondContact O-CA 3.38Å; N438-N442 PolarHBondContact O-N 3.48Å; N438-N442 VanDerWaalsContact O-N 3.15Å; N442-C461 PolarHBondContact O-SG 3.16Å
443Q91.1Very high88.4Confident45 Ų4544.9 Ų44.921%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-93.5156.4176.9-64175.1-56.800110.5N438 T441 I458 F459N438-Q443 PolarHBondContact N-O 3.37Å; T441-Q443 PolarHBondContact O-N 2.73Å; T441-Q443 WeakPolarHBondContact OG1-CB 3.42Å; T441-Q443 PolarHBondContact OG1-N 3.13Å; T441-Q443 PolarHBondContact OG1-OE1 2.88Å; Q443-I458 HydrophobicContact CB-CB 4.42Å; Q443-F459 CarbonylContact C-O 3.51Å; Q443-F459 WeakPolarHBondContact CA-O 3.16Å; Q443-F459 WeakPolarHBondContact CB-O 3.47Å
444C90.6Very high88.9Confident0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-109.4150.1-177.8-74.10000110.2I436 D446 I458 F459 C461 Q468I436-C444 CarbonylContact O-C 3.05Å; I436-C444 WeakPolarHBondContact O-CA 3.45Å; C444-D446 PolarHBondContact O-N 3.07Å; C444-I458 CarbonylContact O-C 3.58Å; C444-I458 VanDerWaalsContact O-CA 3.26Å; C444-I458 WeakPolarHBondContact O-CA 3.29Å; C444-F459 PolarHBondContact N-O 3Å; C444-F459 PolarHBondContact O-N 2.88Å; C444-C461 HydrophobicContact CB-CB 4.09Å; C444-C461 WeakPolarHBondContact CB-SG 3.26Å; C444-C461 PolarHBondContact N-SG 3.21Å; C444-C461 WeakPolarHBondContact SG-CB 3.43Å; C444-C461 CovalentContact SG-SG 2.04Å; C444-C461 PolarHBondContact SG-SG 3.47Å; C444-Q468 HydrophobicContact CB-CG 4Å
445L91.6Very high89.4Confident0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-56.8137.8163.8-68.2-175.1000109.3I436 G457 I458 F471 L486 L527 P538 W551I436-L445 HydrophobicContact CB-CB 4.36Å; I436-L445 HydrophobicContact CB-CD1 3.91Å; I436-L445 HydrophobicContact CB-CG 4.11Å; I436-L445 HydrophobicContact CD1-CD1 4.06Å; I436-L445 HydrophobicContact CG2-CD1 3.74Å; I436-L445 HydrophobicContact CG2-CG 4.04Å; I436-L445 PolarHBondContact O-N 3.12Å; L445-G457 WeakPolarHBondContact CA-O 3.47Å; L445-I458 HydrophobicContact CD2-CG2 3.97Å; L445-F471 HydrophobicContact CB-CD2 4.01Å; L445-F471 HydrophobicContact CB-CE2 3.62Å; L445-F471 HydrophobicContact CB-CZ 3.95Å; L445-F471 WeakPolarHBondContact O-CE2 3.48Å; L445-L486 HydrophobicContact CD1-CD1 4.01Å; L445-L527 HydrophobicContact CD1-CD2 4.25Å; L445-P538 HydrophobicContact CD2-CB 4.48Å; L445-P538 HydrophobicContact CD2-CG 3.86Å; L445-W551 HydrophobicContact CD2-CH2 3.95Å; L445-W551 HydrophobicContact CD2-CZ3 3.93Å; L445-W551 HydrophobicContact CG-CZ3 4.02Å
446D89Confident89.7Confident7 Ų751 Ų514%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-142.4133.1-176.2-162.1-52.2000108.8C444 M448 G457 F459 N467 Q468C444-D446 PolarHBondContact O-N 3.07Å; D446-M448 HydrophobicContact CB-CG 4.18Å; D446-M448 HydrophobicContact CB-SD 3.98Å; D446-M448 PolarHBondContact O-N 3.25Å; D446-M448 VanDerWaalsContact OD1-CA 3.27Å; D446-M448 WeakPolarHBondContact OD1-CA 3.4Å; D446-M448 PolarHBondContact OD1-N 3.48Å; D446-G457 PolarHBondContact N-O 3.31Å; D446-G457 CarbonylContact O-C 3.58Å; D446-G457 VanDerWaalsContact O-CA 3.28Å; D446-G457 WeakPolarHBondContact O-CA 3.07Å; D446-G457 PolarHBondContact O-N 3Å; D446-F459 HydrophobicContact CB-CB 4Å; D446-N467 VanDerWaalsContact OD1-CB 3.3Å; D446-N467 WeakPolarHBondContact OD1-CB 3.47Å; D446-Q468 HydrophobicContact CB-CG 3.99Å; D446-Q468 WeakPolarHBondContact OD2-CB 3.22Å; D446-Q468 VanDerWaalsContact OD2-CD 3.29Å; D446-Q468 WeakPolarHBondContact OD2-CG 3.4Å; D446-Q468 PolarHBondContact OD2-NE2 2.83Å
447N85.9Confident89.6Confident20 Ų2050.9 Ų50.911%0.10726%0.255CS..  trans-74.9-7.9174.675.912000112.7A449 R450 N467 T481 M497N447-A449 PolarHBondContact O-N 3.14Å; N447-A449 VanDerWaalsContact O-N 3.1Å; N447-A449 PolarHBondContact OD1-N 2.93Å; N447-R450 WeakPolarHBondContact O-CA 3.33Å; N447-R450 WeakPolarHBondContact O-CB 3.38Å; N447-R450 PolarHBondContact O-N 3.24Å; N447-N467 PolarHBondContact N-O 3.24Å; N447-N467 VanDerWaalsContact OD1-CA 3.29Å; N447-N467 WeakPolarHBondContact OD1-CA 3.23Å; N447-N467 WeakPolarHBondContact OD1-CB 3.48Å; N447-N467 PolarHBondContact OD1-OD1 3.43Å; N447-T481 HydrophobicContact CB-CG2 4.34Å; N447-M497 HydrophobicContact CB-CE 4.11Å; N447-M497 HydrophobicContact CB-SD 3.67Å
448M83.1Confident89.5Confident50 Ų5049 Ų4925%0.24625%0.248CC..THydrogen-bonded Turntrans54.826.3176.7-61.3-69.1-73.900113.9D446 R450 F459D446-M448 HydrophobicContact CB-CG 4.18Å; D446-M448 HydrophobicContact CB-SD 3.98Å; D446-M448 PolarHBondContact O-N 3.25Å; D446-M448 VanDerWaalsContact OD1-CA 3.27Å; D446-M448 WeakPolarHBondContact OD1-CA 3.4Å; D446-M448 PolarHBondContact OD1-N 3.48Å; M448-R450 HydrophobicContact CB-CG 3.89Å; M448-R450 PolarHBondContact O-N 3.14Å; M448-R450 VanDerWaalsContact O-N 3.13Å; M448-F459 HydrophobicContact CE-CD2 4.14Å; M448-F459 HydrophobicContact SD-CB 3.93Å; M448-F459 HydrophobicContact SD-CD2 4.17Å; M448-F459 HydrophobicContact SD-CG 4.28Å
449A80.4Confident89.2Confident71 Ų7153.2 Ų53.259%0.58727%0.267SS*.THydrogen-bonded Turntrans55.718.5-167.900000114.2N447 N467N447-A449 PolarHBondContact O-N 3.14Å; N447-A449 VanDerWaalsContact O-N 3.1Å; N447-A449 PolarHBondContact OD1-N 2.93Å; A449-N467 PolarHBondContact N-ND2 2.05Å
450R84.8Confident89Confident58 Ų5856.7 Ų56.722%0.21928%0.284CS..  trans-76.6158.5175.6-60.9171.5-177.81692.3110.2N447 M448 E454 K455 M497N447-R450 WeakPolarHBondContact O-CA 3.33Å; N447-R450 WeakPolarHBondContact O-CB 3.38Å; N447-R450 PolarHBondContact O-N 3.24Å; M448-R450 HydrophobicContact CB-CG 3.89Å; M448-R450 PolarHBondContact O-N 3.14Å; M448-R450 VanDerWaalsContact O-N 3.13Å; R450-E454 WeakPolarHBondContact CA-OE2 3.23Å; R450-E454 HydrophobicContact CB-CB 3.74Å; R450-E454 HydrophobicContact CB-CG 4.34Å; R450-E454 WeakPolarHBondContact CB-OE2 3.29Å; R450-E454 HydrophobicContact CG-CB 4.38Å; R450-K455 WeakPolarHBondContact CD-O 3.42Å; R450-K455 PolarHBondContact NH1-O 3.29Å; R450-M497 HydrophobicContact CB-CE 3.76Å
451K84.1Confident88.5Confident160 Ų16054 Ų5470%0.69628%0.275SS*.  trans-103.6-176.6-174.2-61.4-178.5-179.5177.40111.3E454K451-E454 PolarHBondContact N-OE2 3.37Å; K451-E454 WeakPolarHBondContact O-CB 3.48Å; K451-E454 PolarHBondContact O-N 2.88Å
452E86.9Confident87.9Confident80 Ų8055.3 Ų55.337%0.37428%0.278SS..THydrogen-bonded Turntrans-50.4144.6169.2-176177.7-16500111.2E454 L484 K499E452-E454 PolarHBondContact O-N 2.95Å; E452-L484 HydrophobicContact CB-CD2 3.95Å; E452-L484 HydrophobicContact CG-CD2 4.24Å; E452-K499 VanDerWaalsContact OE1-CD 3.25Å; E452-K499 WeakPolarHBondContact OE1-CD 3.47Å; E452-K499 WeakPolarHBondContact OE1-CE 3.25Å; E452-K499 VanDerWaalsContact OE1-CG 3.3Å; E452-K499 WeakPolarHBondContact OE1-CG 3.23Å; E452-K499 IonicContact OE1-NZ 2.96Å; E452-K499 PolarHBondContact OE1-NZ 2.94Å; E452-K499 VanDerWaalsContact OE2-CE 3.23Å; E452-K499 WeakPolarHBondContact OE2-CE 3.21Å; E452-K499 IonicContact OE2-NZ 3.55Å; E452-K499 PolarHBondContact OE2-NZ 2.93Å
453N90.1Very high86.9Confident117 Ų11753 Ų5363%0.62628%0.275SS*.THydrogen-bonded Turntrans6712.9-176.6-81.9-18.3000115.3M496 M497 L498N453-M496 WeakPolarHBondContact O-CE 3.27Å; N453-M497 PolarHBondContact N-O 3.37Å; N453-L498 WeakPolarHBondContact OD1-CD2 3.34Å
454E91.6Very high85.7Confident84 Ų8458 Ų5839%0.39330%0.3SS..EExtended strand (participates in β ladder)trans-106.1157.6173.9-60.3-166.591.300112R450 K451 E452 M497R450-E454 WeakPolarHBondContact CA-OE2 3.23Å; R450-E454 HydrophobicContact CB-CB 3.74Å; R450-E454 HydrophobicContact CB-CG 4.34Å; R450-E454 WeakPolarHBondContact CB-OE2 3.29Å; R450-E454 HydrophobicContact CG-CB 4.38Å; K451-E454 PolarHBondContact N-OE2 3.37Å; K451-E454 WeakPolarHBondContact O-CB 3.48Å; K451-E454 PolarHBondContact O-N 2.88Å; E452-E454 PolarHBondContact O-N 2.95Å; E454-M497 PolarHBondContact O-N 3.15Å
455K92.6Very high84.4Confident77 Ų7758.1 Ų58.134%0.33530%0.302SS..EExtended strand (participates in β ladder)trans-68.4137.8178.4-67164.7161.6-167.90110.1R450 P494 V495 M496 D534 V537R450-K455 WeakPolarHBondContact CD-O 3.42Å; R450-K455 PolarHBondContact NH1-O 3.29Å; K455-P494 HydrophobicContact CD-CB 4.45Å; K455-P494 HydrophobicContact CG-CB 4.25Å; K455-V495 WeakPolarHBondContact CA-O 3.48Å; K455-M496 HydrophobicContact CB-SD 4.3Å; K455-M496 HydrophobicContact CG-CE 4.3Å; K455-M496 HydrophobicContact CG-SD 3.53Å; K455-M496 VanDerWaalsContact CG-SD 3.53Å; K455-D534 IonicContact NZ-OD2 2.79Å; K455-D534 PolarHBondContact NZ-OD2 2.78Å; K455-V537 HydrophobicContact CB-CG1 3.95Å; K455-V537 HydrophobicContact CB-CG2 4.11Å; K455-V537 HydrophobicContact CD-CB 4.47Å; K455-V537 HydrophobicContact CD-CG1 3.88Å; K455-V537 HydrophobicContact CD-CG2 3.87Å; K455-V537 HydrophobicContact CG-CG1 4.14Å
456V91.9Very high83.4Confident0 Ų059.2 Ų59.20%031%0.313CS..  trans-64.9150.2165.873.80000109.2F471 L486 V495 M497 P538V456-F471 HydrophobicContact CG2-CE1 4.38Å; V456-F471 HydrophobicContact CG2-CZ 4Å; V456-L486 HydrophobicContact CB-CD2 3.91Å; V456-L486 HydrophobicContact CG1-CD2 4.24Å; V456-L486 HydrophobicContact CG2-CD2 3.89Å; V456-V495 HydrophobicContact CG1-CB 3.68Å; V456-V495 HydrophobicContact CG1-CG1 3.8Å; V456-V495 PolarHBondContact N-O 3.16Å; V456-M497 HydrophobicContact CB-CG 3.95Å; V456-M497 HydrophobicContact CB-SD 4.16Å; V456-M497 HydrophobicContact CG2-CG 4.38Å; V456-M497 HydrophobicContact CG2-SD 4.09Å; V456-P538 HydrophobicContact CG1-CG 3.54Å; V456-P538 WeakPolarHBondContact O-CD 3.46Å
457G90.4Very high82.2Confident0 Ų061.6 Ų61.60%033%0.326CS..EExtended strand (participates in β ladder)trans-108170.5178.400000113.3L445 D446 Q536L445-G457 WeakPolarHBondContact CA-O 3.47Å; D446-G457 PolarHBondContact N-O 3.31Å; D446-G457 CarbonylContact O-C 3.58Å; D446-G457 VanDerWaalsContact O-CA 3.28Å; D446-G457 WeakPolarHBondContact O-CA 3.07Å; D446-G457 PolarHBondContact O-N 3Å; G457-Q536 CarbonylContact C-O 3.58Å; G457-Q536 WeakPolarHBondContact CA-O 3.32Å
458I90.3Very high80.9Confident4 Ų460.7 Ų60.72%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-120141.7158.460.6173000109.9Q443 C444 L445 A530 Q536 P538 W551Q443-I458 HydrophobicContact CB-CB 4.42Å; C444-I458 CarbonylContact O-C 3.58Å; C444-I458 VanDerWaalsContact O-CA 3.26Å; C444-I458 WeakPolarHBondContact O-CA 3.29Å; L445-I458 HydrophobicContact CD2-CG2 3.97Å; I458-A530 HydrophobicContact CD1-CB 3.36Å; I458-A530 HydrophobicContact CG1-CB 3.98Å; I458-Q536 PolarHBondContact N-O 2.87Å; I458-P538 HydrophobicContact CG2-CB 4.28Å; I458-P538 HydrophobicContact CG2-CG 4.13Å; I458-W551 HydrophobicContact CG2-CH2 4.14Å
459F88.6Confident79.7Confident89 Ų8959.3 Ų59.339%0.3931%0.314SS..EExtended strand (participates in β ladder)trans-148.9167.5177.7-162.3-99.6000111.1Q443 C444 D446 M448 C461Q443-F459 CarbonylContact C-O 3.51Å; Q443-F459 WeakPolarHBondContact CA-O 3.16Å; Q443-F459 WeakPolarHBondContact CB-O 3.47Å; C444-F459 PolarHBondContact N-O 3Å; C444-F459 PolarHBondContact O-N 2.88Å; D446-F459 HydrophobicContact CB-CB 4Å; M448-F459 HydrophobicContact CE-CD2 4.14Å; M448-F459 HydrophobicContact SD-CB 3.93Å; M448-F459 HydrophobicContact SD-CD2 4.17Å; M448-F459 HydrophobicContact SD-CG 4.28Å; F459-C461 PolarHBondContact O-N 3.08Å
460N88.6Confident79.1Confident102 Ų10256.8 Ų56.855%0.54529%0.291SS..EExtended strand (participates in β ladder)trans-60.4125.1179.4-70.7-15.4000110.1H462 Q468N460-H462 PolarHBondContact O-N 3.43Å; N460-Q468 PolarHBondContact O-NE2 2.95Å; N460-Q468 PolarHBondContact O-OE1 3.24Å
461C85.1Confident79Confident34 Ų3454.1 Ų54.123%0.2328%0.281CS..  trans-58.9107.7177.7-55.70000110N442 C444 F459 Q468N442-C461 PolarHBondContact O-SG 3.16Å; C444-C461 HydrophobicContact CB-CB 4.09Å; C444-C461 WeakPolarHBondContact CB-SG 3.26Å; C444-C461 PolarHBondContact N-SG 3.21Å; C444-C461 WeakPolarHBondContact SG-CB 3.43Å; C444-C461 CovalentContact SG-SG 2.04Å; C444-C461 PolarHBondContact SG-SG 3.47Å; F459-C461 PolarHBondContact O-N 3.08Å; C461-Q468 VanDerWaalsContact CA-OE1 3.23Å
462H77.5Confident79Confident74 Ų7446.9 Ų46.934%0.34325%0.251SS..  trans-107.1-12.4-175.559.766.4000113.3N460 M464 Q468N460-H462 PolarHBondContact O-N 3.43Å; H462-M464 HydrophobicContact CB-CG 4.2Å; H462-M464 VanDerWaalsContact ND1-CB 3.28Å; H462-M464 WeakPolarHBondContact ND1-CB 3.36Å; H462-M464 WeakPolarHBondContact ND1-CG 3.38Å; H462-M464 PolarHBondContact ND1-N 3.14Å; H462-M464 VanDerWaalsContact ND1-N 3.11Å; H462-M464 VanDerWaalsContact O-CG 3.28Å; H462-M464 WeakPolarHBondContact O-CG 3.35Å; H462-M464 PolarHBondContact O-N 2.95Å; H462-Q468 PolarHBondContact CD2-NE2 3.03Å; H462-Q468 PolarHBondContact CD2-OE1 3.23Å; H462-Q468 WeakPolarHBondContact NE2-CB 3.31Å; H462-Q468 VanDerWaalsContact NE2-CD 3.26Å; H462-Q468 PolarHBondContact NE2-NE2 3.15Å; H462-Q468 PolarHBondContact NE2-OE1 2.9Å
463G70.3Confident79.1Confident41 Ų4143.7 Ų43.742%0.42324%0.236SC..  trans67.918.4172.700000115.4Q469G463-Q469 PolarHBondContact O-NE2 3.36Å; G463-Q469 VanDerWaalsContact O-NE2 3.15Å; G463-Q469 PolarHBondContact O-OE1 2.77Å
464M66.1Low78.9Confident149 Ų14938.2 Ų38.273%0.73421%0.206SC*.  trans-102.613.5-167.5-55.2-173.1173.900115H462H462-M464 HydrophobicContact CB-CG 4.2Å; H462-M464 VanDerWaalsContact ND1-CB 3.28Å; H462-M464 WeakPolarHBondContact ND1-CB 3.36Å; H462-M464 WeakPolarHBondContact ND1-CG 3.38Å; H462-M464 PolarHBondContact ND1-N 3.14Å; H462-M464 VanDerWaalsContact ND1-N 3.11Å; H462-M464 VanDerWaalsContact O-CG 3.28Å; H462-M464 WeakPolarHBondContact O-CG 3.35Å; H462-M464 PolarHBondContact O-N 2.95Å
465G64.4Low78.5Confident3 Ų336 Ų363%0.03120%0.203CC..SBendtrans82.3-164.5-177.400000113.2N467 Q469G465-N467 PolarHBondContact O-N 3.34Å; G465-Q469 VanDerWaalsContact N-CD 3.32Å
466G69.5Low78.1Confident24 Ų2437 Ų3725%0.24721%0.212CC..THydrogen-bonded Turntrans66.8-117.316800000114.2I386 Q468I386-G466 PolarHBondContact O-N 3.35Å; G466-Q468 VanDerWaalsContact C-N 3.27Å; G466-Q468 PolarHBondContact O-N 2.86Å
467N63.3Low78Confident56 Ų5640.1 Ų40.130%0.29923%0.225SC..THydrogen-bonded Turntrans-70.7-20.4-168.9-66.9-6.5000114.2D446 N447 A449 G465D446-N467 VanDerWaalsContact OD1-CB 3.3Å; D446-N467 WeakPolarHBondContact OD1-CB 3.47Å; N447-N467 PolarHBondContact N-O 3.24Å; N447-N467 VanDerWaalsContact OD1-CA 3.29Å; N447-N467 WeakPolarHBondContact OD1-CA 3.23Å; N447-N467 WeakPolarHBondContact OD1-CB 3.48Å; N447-N467 PolarHBondContact OD1-OD1 3.43Å; A449-N467 PolarHBondContact N-ND2 2.05Å; G465-N467 PolarHBondContact O-N 3.34Å
468Q59.2Low78.1Confident1 Ų140.3 Ų40.31%0.00523%0.226CC..SBendtrans-119.2-8.9-165.1-148.9-179.972.500114.4C444 D446 N460 C461 H462 G466C444-Q468 HydrophobicContact CB-CG 4Å; D446-Q468 HydrophobicContact CB-CG 3.99Å; D446-Q468 WeakPolarHBondContact OD2-CB 3.22Å; D446-Q468 VanDerWaalsContact OD2-CD 3.29Å; D446-Q468 WeakPolarHBondContact OD2-CG 3.4Å; D446-Q468 PolarHBondContact OD2-NE2 2.83Å; N460-Q468 PolarHBondContact O-NE2 2.95Å; N460-Q468 PolarHBondContact O-OE1 3.24Å; C461-Q468 VanDerWaalsContact CA-OE1 3.23Å; H462-Q468 PolarHBondContact CD2-NE2 3.03Å; H462-Q468 PolarHBondContact CD2-OE1 3.23Å; H462-Q468 WeakPolarHBondContact NE2-CB 3.31Å; H462-Q468 VanDerWaalsContact NE2-CD 3.26Å; H462-Q468 PolarHBondContact NE2-NE2 3.15Å; H462-Q468 PolarHBondContact NE2-OE1 2.9Å; G466-Q468 VanDerWaalsContact C-N 3.27Å; G466-Q468 PolarHBondContact O-N 2.86Å
469Q58.3Low78.1Confident22 Ų2240.2 Ų40.210%0.10323%0.225CC..SBendtrans-119.34.9-169.3-83.1-158-38.800115.8G434 G463 G465G434-Q469 CarbonylContact C-O 3.36Å; G434-Q469 WeakPolarHBondContact CA-O 3.35Å; G463-Q469 PolarHBondContact O-NE2 3.36Å; G463-Q469 VanDerWaalsContact O-NE2 3.15Å; G463-Q469 PolarHBondContact O-OE1 2.77Å; G465-Q469 VanDerWaalsContact N-CD 3.32Å
470V67Low78.1Confident18 Ų1836.8 Ų36.811%0.10921%0.21CC..  trans-130.355.5-174-159.60000111I386 L433I386-V470 HydrophobicContact CB-CG2 4.05Å; I386-V470 HydrophobicContact CD1-CG1 4.04Å; I386-V470 HydrophobicContact CG1-CB 4.13Å; I386-V470 HydrophobicContact CG1-CG1 3.47Å; I386-V470 VanDerWaalsContact CG1-CG1 3.47Å; I386-V470 HydrophobicContact CG1-CG2 3.59Å; I386-V470 HydrophobicContact CG2-CG2 4.29Å; L433-V470 HydrophobicContact CD1-CG1 4.24Å
471F83.9Confident77.8Confident1 Ų132.3 Ų32.30%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-89124.7159.7-71.8-83000108.9G434 I436 L445 V456 I479 R480 T481 L486G434-F471 PolarHBondContact N-O 3.08Å; G434-F471 PolarHBondContact O-N 2.88Å; G434-F471 VanDerWaalsContact O-N 3.14Å; I436-F471 HydrophobicContact CD1-CB 3.52Å; I436-F471 HydrophobicContact CD1-CG 4.11Å; I436-F471 HydrophobicContact CG1-CB 3.92Å; L445-F471 HydrophobicContact CB-CD2 4.01Å; L445-F471 HydrophobicContact CB-CE2 3.62Å; L445-F471 HydrophobicContact CB-CZ 3.95Å; L445-F471 WeakPolarHBondContact O-CE2 3.48Å; V456-F471 HydrophobicContact CG2-CE1 4.38Å; V456-F471 HydrophobicContact CG2-CZ 4Å; F471-I479 HydrophobicContact CB-CG2 4.35Å; F471-I479 HydrophobicContact CD1-CG2 3.83Å; F471-I479 HydrophobicContact CG-CG2 4.48Å; F471-R480 VanDerWaalsContact CA-O 3.3Å; F471-R480 WeakPolarHBondContact CA-O 3.31Å; F471-T481 HydrophobicContact CE1-CG2 3.85Å; F471-T481 HydrophobicContact CZ-CG2 4.34Å; F471-L486 HydrophobicContact CE1-CD1 4.46Å; F471-L486 HydrophobicContact CE1-CD2 4.14Å; F471-L486 HydrophobicContact CE1-CG 4.48Å
472S83.8Confident77.4Confident9 Ų933 Ų336%0.06319%0.187CC..EExtended strand (participates in β ladder)trans-104.4125.3171.5630000109.4S432 I479 R480S432-S472 CarbonylContact O-C 3.54Å; S432-S472 WeakPolarHBondContact O-CA 3.33Å; S472-I479 WeakPolarHBondContact O-CA 3.12Å; S472-R480 PolarHBondContact N-O 2.86Å; S472-R480 PolarHBondContact O-N 3.28Å
473Y88.6Confident77.3Confident13 Ų1331.4 Ų31.45%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-94.1110.2167.9-177.5-128.9000108.8Y430 Y431 S432 E478 I479 W509 Y511 L553Y430-Y473 CarbonylContact C-O 3.54Å; Y430-Y473 WeakPolarHBondContact CA-O 3.33Å; Y430-Y473 WeakPolarHBondContact CB-O 3.49Å; Y431-Y473 AromaticContact CD2-CD1 3.72Å; Y431-Y473 HydrophobicContact CD2-CD1 3.72Å; Y431-Y473 AromaticContact CD2-CE1 3.52Å; Y431-Y473 HydrophobicContact CD2-CE1 3.52Å; Y431-Y473 HydrophobicContact CE2-CE1 4.27Å; Y431-Y473 HydrophobicContact CG-CD1 4.15Å; Y431-Y473 HydrophobicContact CG-CE1 4.21Å; Y431-Y473 PolarHBondContact N-O 2.81Å; S432-Y473 PolarHBondContact N-O 2.79Å; S432-Y473 PolarHBondContact O-N 3.47Å; Y473-E478 WeakPolarHBondContact CA-O 2.98Å; Y473-E478 WeakPolarHBondContact CD2-O 3.3Å; Y473-I479 HydrophobicContact CD2-CG1 3.97Å; Y473-W509 HydrophobicContact CE2-CB 4.34Å; Y473-W509 VanDerWaalsContact CE2-O 3.31Å; Y473-W509 WeakPolarHBondContact CE2-O 3.08Å; Y473-W509 PolarHBondContact OH-O 3.41Å; Y473-Y511 PolarHBondContact OH-N 3.46Å; Y473-L553 HydrophobicContact CD1-CD2 3.97Å; Y473-L553 HydrophobicContact CG-CD2 4.19Å
474T85.6Confident78.1Confident1 Ų130 Ų301%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-88.4160.1-165.280.90000112.4P427 Y431 N476 K477 E478 R480P427-T474 HydrophobicContact CB-CG2 3.87Å; P427-T474 HydrophobicContact CG-CG2 3.23Å; Y431-T474 WeakPolarHBondContact CD2-O 3.04Å; T474-N476 PolarHBondContact O-N 3.13Å; T474-N476 PolarHBondContact OG1-N 3.1Å; T474-K477 WeakPolarHBondContact O-CA 3.38Å; T474-K477 PolarHBondContact O-N 3Å; T474-K477 PolarHBondContact OG1-N 3.28Å; T474-E478 HydrophobicContact CG2-CB 4.19Å; T474-E478 WeakPolarHBondContact CG2-O 3.42Å; T474-E478 PolarHBondContact N-O 3.47Å; T474-E478 PolarHBondContact OG1-N 2.88Å; T474-E478 VanDerWaalsContact OG1-N 3.11Å; T474-R480 HydrophobicContact CG2-CG 3.68Å
475A83.3Confident79.2Confident38 Ų3822.9 Ų22.931%0.31413%0.129SC..THydrogen-bonded Turntrans-60.8-25169.900000113H429 K477H429-A475 HydrophobicContact CB-CB 3.63Å; H429-A475 VanDerWaalsContact O-CB 3.32Å; H429-A475 WeakPolarHBondContact O-CB 3.35Å; H429-A475 PolarHBondContact O-N 3.35Å; A475-K477 PolarHBondContact O-N 2.82Å
476N84.6Confident80.7Confident99 Ų9922.8 Ų22.853%0.52913%0.128SC..THydrogen-bonded Turntrans-77.76.3172.3-69.5-16.8000113.3T474 E478T474-N476 PolarHBondContact O-N 3.13Å; T474-N476 PolarHBondContact OG1-N 3.1Å; N476-E478 VanDerWaalsContact C-N 3.32Å; N476-E478 PolarHBondContact O-N 2.87Å
477K90Very high81.9Confident65 Ų6521.9 Ų21.928%0.28312%0.117SC..SBendtrans62.436.7179.2-66.8-169.2-175.2-170.20112.5T474 A475 L508 W509 E510T474-K477 WeakPolarHBondContact O-CA 3.38Å; T474-K477 PolarHBondContact O-N 3Å; T474-K477 PolarHBondContact OG1-N 3.28Å; A475-K477 PolarHBondContact O-N 2.82Å; K477-L508 HydrophobicContact CB-CD1 3.54Å; K477-L508 HydrophobicContact CD-CD1 4.41Å; K477-W509 VanDerWaalsContact CB-O 3.24Å; K477-W509 WeakPolarHBondContact CB-O 3.29Å; K477-W509 PolarHBondContact O-N 3.27Å; K477-E510 IonicContact NZ-OE1 2.78Å; K477-E510 PolarHBondContact NZ-OE1 2.93Å; K477-E510 IonicContact NZ-OE2 3.91Å
478E91.1Very high83.4Confident4 Ų419.3 Ų19.32%0.01910%0.104CC..  trans-107.2154.1172.1-62.6157.9139.900109.8Y473 T474 N476 R480 H502Y473-E478 WeakPolarHBondContact CA-O 2.98Å; Y473-E478 WeakPolarHBondContact CD2-O 3.3Å; T474-E478 HydrophobicContact CG2-CB 4.19Å; T474-E478 WeakPolarHBondContact CG2-O 3.42Å; T474-E478 PolarHBondContact N-O 3.47Å; T474-E478 PolarHBondContact OG1-N 2.88Å; T474-E478 VanDerWaalsContact OG1-N 3.11Å; N476-E478 VanDerWaalsContact C-N 3.32Å; N476-E478 PolarHBondContact O-N 2.87Å; E478-R480 HydrophobicContact CB-CG 4.23Å; E478-R480 IonicContact OE1-NH2 3.82Å; E478-R480 IonicContact OE2-CZ 2.68Å; E478-R480 IonicContact OE2-NE 3.19Å; E478-R480 PolarHBondContact OE2-NE 3.43Å; E478-R480 IonicContact OE2-NH2 3.35Å; E478-R480 PolarHBondContact OE2-NH2 3.45Å; E478-H502 WeakPolarHBondContact OE1-CA 3.44Å; E478-H502 IonicContact OE1-CE1 2.69Å; E478-H502 IonicContact OE1-CG 3.61Å; E478-H502 IonicContact OE1-ND1 3.11Å; E478-H502 PolarHBondContact OE1-ND1 3.11Å; E478-H502 IonicContact OE2-ND1 3.55Å
479I91.9Very high84.9Confident1 Ų123 Ų231%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-110.7112.3170.6-55.9168.8000107.6I436 F471 S472 Y473 C485 L486 W509 L518I436-I479 HydrophobicContact CD1-CG2 3.74Å; F471-I479 HydrophobicContact CB-CG2 4.35Å; F471-I479 HydrophobicContact CD1-CG2 3.83Å; F471-I479 HydrophobicContact CG-CG2 4.48Å; S472-I479 WeakPolarHBondContact O-CA 3.12Å; Y473-I479 HydrophobicContact CD2-CG1 3.97Å; I479-C485 WeakPolarHBondContact O-CA 3.37Å; I479-L486 HydrophobicContact CB-CB 4.25Å; I479-L486 HydrophobicContact CB-CD1 3.9Å; I479-L486 HydrophobicContact CB-CG 4.01Å; I479-L486 HydrophobicContact CD1-CD1 4.13Å; I479-L486 HydrophobicContact CG2-CD1 3.55Å; I479-L486 HydrophobicContact CG2-CG 3.91Å; I479-L486 PolarHBondContact O-N 3.14Å; I479-W509 HydrophobicContact CD1-CB 3.93Å; I479-W509 HydrophobicContact CD1-CD2 3.74Å; I479-W509 HydrophobicContact CD1-CE3 4.2Å; I479-W509 HydrophobicContact CD1-CG 3.62Å; I479-W509 HydrophobicContact CG1-CB 4.05Å; I479-W509 HydrophobicContact CG1-CG 3.93Å; I479-L518 HydrophobicContact CD1-CD1 3.95Å; I479-L518 HydrophobicContact CD1-CD2 4Å; I479-L518 HydrophobicContact CD1-CG 4.47Å
480R87.4Confident86.5Confident18 Ų1829.4 Ų29.47%0.06816%0.158CC..EExtended strand (participates in β ladder)trans-115.2146.7-171.6-42.3-169.6175.7173.3-2.3113.7Q425 F471 S472 T474 E478 L484 H502Q425-R480 PolarHBondContact O-NH1 2.82Å; F471-R480 VanDerWaalsContact CA-O 3.3Å; F471-R480 WeakPolarHBondContact CA-O 3.31Å; S472-R480 PolarHBondContact N-O 2.86Å; S472-R480 PolarHBondContact O-N 3.28Å; T474-R480 HydrophobicContact CG2-CG 3.68Å; E478-R480 HydrophobicContact CB-CG 4.23Å; E478-R480 IonicContact OE1-NH2 3.82Å; E478-R480 IonicContact OE2-CZ 2.68Å; E478-R480 IonicContact OE2-NE 3.19Å; E478-R480 PolarHBondContact OE2-NE 3.43Å; E478-R480 IonicContact OE2-NH2 3.35Å; E478-R480 PolarHBondContact OE2-NH2 3.45Å; R480-L484 CarbonylContact C-O 3.55Å; R480-L484 VanDerWaalsContact CA-O 3.26Å; R480-L484 WeakPolarHBondContact CA-O 3.25Å; R480-H502 PolarHBondContact NH2-CE1 3.46Å; R480-H502 PolarHBondContact NH2-ND1 3.37Å
481T82.2Confident87.6Confident7 Ų734.4 Ų34.44%0.04318%0.183CC..EExtended strand (participates in β ladder)trans-135.5116.2167.5-176.70000109.3N447 F471 D483 L484 M497N447-T481 HydrophobicContact CB-CG2 4.34Å; F471-T481 HydrophobicContact CE1-CG2 3.85Å; F471-T481 HydrophobicContact CZ-CG2 4.34Å; T481-D483 PolarHBondContact O-N 2.82Å; T481-L484 HydrophobicContact CG2-CB 4.27Å; T481-L484 PolarHBondContact N-O 3.13Å; T481-L484 PolarHBondContact O-N 3.07Å; T481-M497 HydrophobicContact CG2-SD 3.95Å
482D76.5Confident88Confident48 Ų4837.8 Ų37.826%0.25720%0.201SC..THydrogen-bonded Turntrans50.2-116.1-168.7-158.634000112.1N262 R268N262-D482 PolarHBondContact ND2-OD1 2.67Å; R268-D482 IonicContact CZ-OD2 3.48Å; R268-D482 IonicContact NH1-OD2 2.93Å; R268-D482 IonicContact NH2-OD2 2.74Å; R268-D482 PolarHBondContact NH2-OD2 2.86Å
483D75.9Confident88.3Confident41 Ų4137.6 Ų37.622%0.21920%0.201CC..THydrogen-bonded Turntrans-953.6179.360.4-25.1000114.1R268 Q425 T481 C500R268-D483 IonicContact NH1-OD1 3.71Å; R268-D483 IonicContact NH1-OD2 3.66Å; R268-D483 PolarHBondContact NH1-OD2 3.25Å; Q425-D483 VanDerWaalsContact CD-CB 3.44Å; T481-D483 PolarHBondContact O-N 2.82Å; D483-C500 PolarHBondContact O-N 3Å
484L86.7Confident88.5Confident12 Ų1239.2 Ų39.26%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-110144.6-174.9-52.1178.3000111.7E452 R480 T481 M497 L498 K499E452-L484 HydrophobicContact CB-CD2 3.95Å; E452-L484 HydrophobicContact CG-CD2 4.24Å; R480-L484 CarbonylContact C-O 3.55Å; R480-L484 VanDerWaalsContact CA-O 3.26Å; R480-L484 WeakPolarHBondContact CA-O 3.25Å; T481-L484 HydrophobicContact CG2-CB 4.27Å; T481-L484 PolarHBondContact N-O 3.13Å; T481-L484 PolarHBondContact O-N 3.07Å; L484-M497 HydrophobicContact CB-CB 4.13Å; L484-M497 HydrophobicContact CD1-CB 3.88Å; L484-L498 CarbonylContact C-O 3.6Å; L484-L498 VanDerWaalsContact CA-O 3.23Å; L484-L498 WeakPolarHBondContact CA-O 3.38Å; L484-K499 HydrophobicContact CD2-CG 4.39Å
485C90.7Very high88.9Confident0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-114.1145.8174.4-81.70000109.3I479 D487 L498 C500 Q507I479-C485 WeakPolarHBondContact O-CA 3.37Å; C485-D487 PolarHBondContact O-N 2.78Å; C485-L498 PolarHBondContact N-O 2.79Å; C485-L498 PolarHBondContact O-N 2.74Å; C485-C500 HydrophobicContact CB-CB 4.01Å; C485-C500 WeakPolarHBondContact CB-SG 3.29Å; C485-C500 PolarHBondContact N-SG 2.9Å; C485-C500 VanDerWaalsContact SG-CA 3.5Å; C485-C500 WeakPolarHBondContact SG-CB 3.46Å; C485-C500 CovalentContact SG-SG 2.04Å; C485-C500 PolarHBondContact SG-SG 2.91Å; C485-Q507 HydrophobicContact CB-CB 4.5Å; C485-Q507 HydrophobicContact CB-CG 4.21Å
486L94.2Very high89.5Confident1 Ų139.4 Ų39.41%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-69.7121.8170.5-60.9-169.1000109.8L445 V456 F471 I479 V495 M496 M497 W509L445-L486 HydrophobicContact CD1-CD1 4.01Å; V456-L486 HydrophobicContact CB-CD2 3.91Å; V456-L486 HydrophobicContact CG1-CD2 4.24Å; V456-L486 HydrophobicContact CG2-CD2 3.89Å; F471-L486 HydrophobicContact CE1-CD1 4.46Å; F471-L486 HydrophobicContact CE1-CD2 4.14Å; F471-L486 HydrophobicContact CE1-CG 4.48Å; I479-L486 HydrophobicContact CB-CB 4.25Å; I479-L486 HydrophobicContact CB-CD1 3.9Å; I479-L486 HydrophobicContact CB-CG 4.01Å; I479-L486 HydrophobicContact CD1-CD1 4.13Å; I479-L486 HydrophobicContact CG2-CD1 3.55Å; I479-L486 HydrophobicContact CG2-CG 3.91Å; I479-L486 PolarHBondContact O-N 3.14Å; L486-V495 HydrophobicContact CB-CG1 3.79Å; L486-V495 HydrophobicContact CD1-CG1 4.21Å; L486-V495 HydrophobicContact CD2-CG1 4.08Å; L486-V495 HydrophobicContact CG-CG1 4.24Å; L486-M496 WeakPolarHBondContact CA-O 3.38Å; L486-M497 HydrophobicContact CD2-CG 3.96Å; L486-W509 HydrophobicContact CB-CZ2 4.1Å; L486-W509 PolarHBondContact O-NE1 2.68Å
487D95.1Very high89.8Confident4 Ų434.7 Ų34.72%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-122.3143-178.3-170.9-76.2000111.1C485 S489 M496 L498 N506 Q507C485-D487 PolarHBondContact O-N 2.78Å; D487-S489 PolarHBondContact OD1-N 3.02Å; D487-S489 PolarHBondContact OD1-OG 2.85Å; D487-M496 PolarHBondContact N-O 3.41Å; D487-M496 PolarHBondContact O-N 3.26Å; D487-L498 HydrophobicContact CB-CB 4.14Å; D487-L498 HydrophobicContact CB-CD1 3.67Å; D487-L498 HydrophobicContact CB-CG 3.84Å; D487-L498 VanDerWaalsContact CG-CD1 3.5Å; D487-N506 WeakPolarHBondContact CA-O 3.46Å; D487-N506 VanDerWaalsContact OD2-CB 3.31Å; D487-N506 WeakPolarHBondContact OD2-CB 3.26Å; D487-Q507 HydrophobicContact CB-CG 4.01Å; D487-Q507 VanDerWaalsContact OD2-CG 3.29Å; D487-Q507 WeakPolarHBondContact OD2-CG 3.34Å
488V94.8Very high89.9Confident3 Ų333.3 Ų33.32%0.01818%0.178CC..  trans-127.1111173.5179.30000110.2K490 V495 N506 W509 V540V488-K490 WeakPolarHBondContact CG1-O 3.34Å; V488-V495 HydrophobicContact CG2-CG1 4.4Å; V488-V495 HydrophobicContact CG2-CG2 4Å; V488-N506 PolarHBondContact N-O 3.48Å; V488-N506 WeakPolarHBondContact O-CB 3.35Å; V488-W509 HydrophobicContact CG2-CH2 3.69Å; V488-W509 HydrophobicContact CG2-CZ2 3.62Å; V488-V540 HydrophobicContact CB-CG1 4.47Å; V488-V540 HydrophobicContact CG1-CB 4.45Å; V488-V540 HydrophobicContact CG1-CG1 4.12Å; V488-V540 HydrophobicContact CG1-CG2 3.51Å; V488-V540 HydrophobicContact CG2-CG1 3.68Å
489S91.8Very high89.8Confident79 Ų7938.3 Ų38.355%0.55220%0.2SC*.  trans-101.2-7.4-178.6-67.40000114.3D487D487-S489 PolarHBondContact OD1-N 3.02Å; D487-S489 PolarHBondContact OD1-OG 2.85Å
490K90.8Very high89.5Confident156 Ų15639.5 Ų39.568%0.67821%0.208SC*.SBendtrans-135.7138.4-179.1-64.9-176.6-172.9-178.60111V488 G493V488-K490 WeakPolarHBondContact CG1-O 3.34Å; K490-G493 WeakPolarHBondContact O-CA 3.28Å; K490-G493 PolarHBondContact O-N 2.99Å; K490-G493 VanDerWaalsContact O-N 3.12Å
491L91Very high89.4Confident123 Ų12342.2 Ų42.264%0.64422%0.221SC*.THydrogen-bonded Turntrans-60.9139.5168.8-62.2178.5000109.8G493 S523L491-G493 PolarHBondContact O-N 3.41Å; L491-G493 VanDerWaalsContact O-N 3.07Å; L491-S523 VanDerWaalsContact CD2-CB 3.44Å
492N91.1Very high89.4Confident71 Ų7146.7 Ų46.738%0.3824%0.241SC..THydrogen-bonded Turntrans54.422.8-174.4-64.5-52.8000113.8Q525 V540 R541N492-Q525 PolarHBondContact OD1-NE2 3.15Å; N492-V540 CarbonylContact C-O 3.46Å; N492-V540 VanDerWaalsContact CA-O 3.23Å; N492-V540 WeakPolarHBondContact CA-O 3.48Å; N492-R541 WeakPolarHBondContact OD1-CD 3.18Å
493G90.8Very high89.8Confident6 Ų651.3 Ų51.36%0.06227%0.265CS..PPolyproline II helixtrans-96.4166.7-171.700000113.6K490 L491 S539 V540K490-G493 WeakPolarHBondContact O-CA 3.28Å; K490-G493 PolarHBondContact O-N 2.99Å; K490-G493 VanDerWaalsContact O-N 3.12Å; L491-G493 PolarHBondContact O-N 3.41Å; L491-G493 VanDerWaalsContact O-N 3.07Å; G493-S539 VanDerWaalsContact O-CA 3.25Å; G493-S539 WeakPolarHBondContact O-CA 3.33Å; G493-S539 WeakPolarHBondContact O-CB 3.48Å; G493-V540 PolarHBondContact O-N 2.93Å
494P93.6Very high90.4Very high46 Ų4655.3 Ų55.330%0.29928%0.281SS..BIsolated β-bridgetrans-67.7154.3173.231.9-36.1000110.9K455 M496 V537K455-P494 HydrophobicContact CD-CB 4.45Å; K455-P494 HydrophobicContact CG-CB 4.25Å; P494-M496 HydrophobicContact CG-SD 4.4Å; P494-V537 HydrophobicContact CB-CG1 3.7Å
495V94.2Very high90.5Very high0 Ų056.2 Ų56.20%029%0.293CS..PPolyproline II helixtrans-84.9128.7172.2-176.10000110K455 V456 L486 V488 W509 L527 P538 V540K455-V495 WeakPolarHBondContact CA-O 3.48Å; V456-V495 HydrophobicContact CG1-CB 3.68Å; V456-V495 HydrophobicContact CG1-CG1 3.8Å; V456-V495 PolarHBondContact N-O 3.16Å; L486-V495 HydrophobicContact CB-CG1 3.79Å; L486-V495 HydrophobicContact CD1-CG1 4.21Å; L486-V495 HydrophobicContact CD2-CG1 4.08Å; L486-V495 HydrophobicContact CG-CG1 4.24Å; V488-V495 HydrophobicContact CG2-CG1 4.4Å; V488-V495 HydrophobicContact CG2-CG2 4Å; V495-W509 HydrophobicContact CG1-CH2 4.49Å; V495-W509 HydrophobicContact CG1-CZ2 4.14Å; V495-W509 HydrophobicContact CG2-CH2 4.13Å; V495-L527 HydrophobicContact CG2-CD1 3.56Å; V495-P538 PolarHBondContact N-O 3.27Å; V495-P538 VanDerWaalsContact N-O 3.13Å; V495-V540 HydrophobicContact CG2-CG1 4.36Å
496M94.3Very high90.6Very high44 Ų4458.7 Ų58.722%0.21731%0.306CS..EExtended strand (participates in β ladder)trans-106.9154.6-177.2-59.2-61.5-64.400110.9N453 K455 L486 D487 P494 L498N453-M496 WeakPolarHBondContact O-CE 3.27Å; K455-M496 HydrophobicContact CB-SD 4.3Å; K455-M496 HydrophobicContact CG-CE 4.3Å; K455-M496 HydrophobicContact CG-SD 3.53Å; K455-M496 VanDerWaalsContact CG-SD 3.53Å; L486-M496 WeakPolarHBondContact CA-O 3.38Å; D487-M496 PolarHBondContact N-O 3.41Å; D487-M496 PolarHBondContact O-N 3.26Å; P494-M496 HydrophobicContact CG-SD 4.4Å; M496-L498 HydrophobicContact CB-CG 4.48Å
497M92.5Very high90.6Very high0 Ų058.6 Ų58.60%031%0.306CS..EExtended strand (participates in β ladder)trans-103.3109171-63.1-177.5-63.100109.4N447 R450 N453 E454 V456 T481 L484 L486N447-M497 HydrophobicContact CB-CE 4.11Å; N447-M497 HydrophobicContact CB-SD 3.67Å; R450-M497 HydrophobicContact CB-CE 3.76Å; N453-M497 PolarHBondContact N-O 3.37Å; E454-M497 PolarHBondContact O-N 3.15Å; V456-M497 HydrophobicContact CB-CG 3.95Å; V456-M497 HydrophobicContact CB-SD 4.16Å; V456-M497 HydrophobicContact CG2-CG 4.38Å; V456-M497 HydrophobicContact CG2-SD 4.09Å; T481-M497 HydrophobicContact CG2-SD 3.95Å; L484-M497 HydrophobicContact CB-CB 4.13Å; L484-M497 HydrophobicContact CD1-CB 3.88Å; L486-M497 HydrophobicContact CD2-CG 3.96Å
498L92Very high90.6Very high35 Ų3559.9 Ų59.918%0.18331%0.312CS..EExtended strand (participates in β ladder)trans-119.5162.3179.6-62.4-173000110.6N453 L484 C485 D487 M496 C500N453-L498 WeakPolarHBondContact OD1-CD2 3.34Å; L484-L498 CarbonylContact C-O 3.6Å; L484-L498 VanDerWaalsContact CA-O 3.23Å; L484-L498 WeakPolarHBondContact CA-O 3.38Å; C485-L498 PolarHBondContact N-O 2.79Å; C485-L498 PolarHBondContact O-N 2.74Å; D487-L498 HydrophobicContact CB-CB 4.14Å; D487-L498 HydrophobicContact CB-CD1 3.67Å; D487-L498 HydrophobicContact CB-CG 3.84Å; D487-L498 VanDerWaalsContact CG-CD1 3.5Å; M496-L498 HydrophobicContact CB-CG 4.48Å; L498-C500 PolarHBondContact O-N 2.04Å
499K88.3Confident90.7Very high110 Ų11059.7 Ų59.748%0.47831%0.311SS..EExtended strand (participates in β ladder)trans-55.4135.2170.9-83.3174.5-177.4131.60111.1E452 L484 H501 Q507E452-K499 VanDerWaalsContact OE1-CD 3.25Å; E452-K499 WeakPolarHBondContact OE1-CD 3.47Å; E452-K499 WeakPolarHBondContact OE1-CE 3.25Å; E452-K499 VanDerWaalsContact OE1-CG 3.3Å; E452-K499 WeakPolarHBondContact OE1-CG 3.23Å; E452-K499 IonicContact OE1-NZ 2.96Å; E452-K499 PolarHBondContact OE1-NZ 2.94Å; E452-K499 VanDerWaalsContact OE2-CE 3.23Å; E452-K499 WeakPolarHBondContact OE2-CE 3.21Å; E452-K499 IonicContact OE2-NZ 3.55Å; E452-K499 PolarHBondContact OE2-NZ 2.93Å; L484-K499 HydrophobicContact CD2-CG 4.39Å; K499-H501 PolarHBondContact O-N 3Å; K499-H501 VanDerWaalsContact O-N 3.13Å; K499-Q507 PolarHBondContact O-NE2 2.78Å
500C85.2Confident90.9Very high26 Ų2660.2 Ų60.218%0.17631%0.305CS..  trans-63114.4173.4-65.30000109.8D483 C485 L498D483-C500 PolarHBondContact O-N 3Å; C485-C500 HydrophobicContact CB-CB 4.01Å; C485-C500 WeakPolarHBondContact CB-SG 3.29Å; C485-C500 PolarHBondContact N-SG 2.9Å; C485-C500 VanDerWaalsContact SG-CA 3.5Å; C485-C500 WeakPolarHBondContact SG-CB 3.46Å; C485-C500 CovalentContact SG-SG 2.04Å; C485-C500 PolarHBondContact SG-SG 2.91Å; L498-C500 PolarHBondContact O-N 2.04Å
501H85.6Confident91.1Very high74 Ų7454.9 Ų54.934%0.34328%0.281SS..  trans-102.4-10.2-178.261.674.2000113K499 L503 K504 Q507K499-H501 PolarHBondContact O-N 3Å; K499-H501 VanDerWaalsContact O-N 3.13Å; H501-L503 VanDerWaalsContact ND1-CB 3.28Å; H501-L503 WeakPolarHBondContact ND1-CB 3.33Å; H501-L503 PolarHBondContact ND1-N 3.3Å; H501-L503 VanDerWaalsContact ND1-N 3.11Å; H501-L503 WeakPolarHBondContact O-CG 3.11Å; H501-L503 PolarHBondContact O-N 3.22Å; H501-K504 PolarHBondContact CE1-O 3.39Å; H501-Q507 PolarHBondContact CD2-NE2 3.23Å; H501-Q507 PolarHBondContact CD2-OE1 2.96Å; H501-Q507 VanDerWaalsContact CD2-OE1 3.25Å; H501-Q507 VanDerWaalsContact N-OE1 3.08Å; H501-Q507 WeakPolarHBondContact NE2-CG 3.04Å; H501-Q507 PolarHBondContact NE2-OE1 2.77Å
502H82.8Confident91.3Very high102 Ų10251.1 Ų51.147%0.47226%0.261SS..SBendtrans60.511.2175.8-48.6-44.6000115.7E478 R480 K504E478-H502 WeakPolarHBondContact OE1-CA 3.44Å; E478-H502 IonicContact OE1-CE1 2.69Å; E478-H502 IonicContact OE1-CG 3.61Å; E478-H502 IonicContact OE1-ND1 3.11Å; E478-H502 PolarHBondContact OE1-ND1 3.11Å; E478-H502 IonicContact OE2-ND1 3.55Å; R480-H502 PolarHBondContact NH2-CE1 3.46Å; R480-H502 PolarHBondContact NH2-ND1 3.37Å; H502-K504 VanDerWaalsContact C-N 3.26Å; H502-K504 PolarHBondContact O-N 3.27Å
503L85.4Confident91.2Very high144 Ų14452.1 Ų52.175%0.75427%0.272SS*.SBendtrans-88.49.5177-50.3175.2000112.4H501H501-L503 VanDerWaalsContact ND1-CB 3.28Å; H501-L503 WeakPolarHBondContact ND1-CB 3.33Å; H501-L503 PolarHBondContact ND1-N 3.3Å; H501-L503 VanDerWaalsContact ND1-N 3.11Å; H501-L503 WeakPolarHBondContact O-CG 3.11Å; H501-L503 PolarHBondContact O-N 3.22Å
504K86.9Confident91.3Very high126 Ų12658.2 Ų58.255%0.54831%0.307SS..  trans58.9-134-174.2-54.4178.9179.6177.90111.2H501 H502 N506 Q507 L508H501-K504 PolarHBondContact CE1-O 3.39Å; H502-K504 VanDerWaalsContact C-N 3.26Å; H502-K504 PolarHBondContact O-N 3.27Å; K504-N506 PolarHBondContact O-N 3.28Å; K504-Q507 PolarHBondContact O-N 2.86Å; K504-L508 HydrophobicContact CB-CB 4.27Å; K504-L508 HydrophobicContact CB-CD1 4.28Å; K504-L508 HydrophobicContact CB-CD2 4.28Å; K504-L508 HydrophobicContact CD-CD1 4.49Å; K504-L508 HydrophobicContact CG-CD1 4.28Å
505G90.4Very high91.3Very high31 Ų3160.3 Ų60.332%0.3231%0.312SS..G310 helixtrans64.3-115.8178.600000112.1Q507 L508G505-Q507 PolarHBondContact O-N 2.87Å; G505-L508 WeakPolarHBondContact O-CB 3.33Å; G505-L508 PolarHBondContact O-N 3.16Å; G505-L508 VanDerWaalsContact O-N 3.12Å
506N92.4Very high91.4Very high51 Ų5162.4 Ų62.427%0.27332%0.323SS..G310 helixtrans-69.6-9.5-175.3-63.8-1.1000114.4D487 V488 K504 H520 N522D487-N506 WeakPolarHBondContact CA-O 3.46Å; D487-N506 VanDerWaalsContact OD2-CB 3.31Å; D487-N506 WeakPolarHBondContact OD2-CB 3.26Å; V488-N506 PolarHBondContact N-O 3.48Å; V488-N506 WeakPolarHBondContact O-CB 3.35Å; K504-N506 PolarHBondContact O-N 3.28Å; N506-H520 VanDerWaalsContact CA-NE2 3.35Å; N506-H520 WeakPolarHBondContact CA-NE2 3.25Å; N506-H520 PolarHBondContact O-NE2 2.95Å; N506-H520 VanDerWaalsContact O-NE2 3.08Å; N506-N522 PolarHBondContact OD1-ND2 2.82Å
507Q94.4Very high91.4Very high0 Ų060.3 Ų60.30%031%0.312CS..G310 helixtrans-107.79.6175.6-63.1-174.6-12.400112.9C485 D487 K499 H501 K504 G505 W509C485-Q507 HydrophobicContact CB-CB 4.5Å; C485-Q507 HydrophobicContact CB-CG 4.21Å; D487-Q507 HydrophobicContact CB-CG 4.01Å; D487-Q507 VanDerWaalsContact OD2-CG 3.29Å; D487-Q507 WeakPolarHBondContact OD2-CG 3.34Å; K499-Q507 PolarHBondContact O-NE2 2.78Å; H501-Q507 PolarHBondContact CD2-NE2 3.23Å; H501-Q507 PolarHBondContact CD2-OE1 2.96Å; H501-Q507 VanDerWaalsContact CD2-OE1 3.25Å; H501-Q507 VanDerWaalsContact N-OE1 3.08Å; H501-Q507 WeakPolarHBondContact NE2-CG 3.04Å; H501-Q507 PolarHBondContact NE2-OE1 2.77Å; K504-Q507 PolarHBondContact O-N 2.86Å; G505-Q507 PolarHBondContact O-N 2.87Å; Q507-W509 VanDerWaalsContact O-CD1 3.31Å
508L94.9Very high91.6Very high30 Ų3060.3 Ų60.316%0.15731%0.312CS..  trans-95.1119.2-176.4-171.468.4000111.8K477 K504 G505 V521K477-L508 HydrophobicContact CB-CD1 3.54Å; K477-L508 HydrophobicContact CD-CD1 4.41Å; K504-L508 HydrophobicContact CB-CB 4.27Å; K504-L508 HydrophobicContact CB-CD1 4.28Å; K504-L508 HydrophobicContact CB-CD2 4.28Å; K504-L508 HydrophobicContact CD-CD1 4.49Å; K504-L508 HydrophobicContact CG-CD1 4.28Å; G505-L508 WeakPolarHBondContact O-CB 3.33Å; G505-L508 PolarHBondContact O-N 3.16Å; G505-L508 VanDerWaalsContact O-N 3.12Å; L508-V521 HydrophobicContact CB-CB 4.26Å; L508-V521 HydrophobicContact CB-CG2 4.46Å; L508-V521 HydrophobicContact CD2-CB 3.76Å; L508-V521 HydrophobicContact CD2-CG1 3.76Å; L508-V521 HydrophobicContact CD2-CG2 3.95Å; L508-V521 HydrophobicContact CG-CB 3.94Å; L508-V521 HydrophobicContact CG-CG1 4.48Å; L508-V521 HydrophobicContact CG-CG2 3.8Å; L508-V521 PolarHBondContact O-N 2.88Å
509W96.1Very high91.9Very high0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-125.1129.4-175.8-63.389.7000112.2Y473 K477 I479 L486 V488 V495 Q507 L518 V519 H520 L527 V540Y473-W509 HydrophobicContact CE2-CB 4.34Å; Y473-W509 VanDerWaalsContact CE2-O 3.31Å; Y473-W509 WeakPolarHBondContact CE2-O 3.08Å; Y473-W509 PolarHBondContact OH-O 3.41Å; K477-W509 VanDerWaalsContact CB-O 3.24Å; K477-W509 WeakPolarHBondContact CB-O 3.29Å; K477-W509 PolarHBondContact O-N 3.27Å; I479-W509 HydrophobicContact CD1-CB 3.93Å; I479-W509 HydrophobicContact CD1-CD2 3.74Å; I479-W509 HydrophobicContact CD1-CE3 4.2Å; I479-W509 HydrophobicContact CD1-CG 3.62Å; I479-W509 HydrophobicContact CG1-CB 4.05Å; I479-W509 HydrophobicContact CG1-CG 3.93Å; L486-W509 HydrophobicContact CB-CZ2 4.1Å; L486-W509 PolarHBondContact O-NE1 2.68Å; V488-W509 HydrophobicContact CG2-CH2 3.69Å; V488-W509 HydrophobicContact CG2-CZ2 3.62Å; V495-W509 HydrophobicContact CG1-CH2 4.49Å; V495-W509 HydrophobicContact CG1-CZ2 4.14Å; V495-W509 HydrophobicContact CG2-CH2 4.13Å; Q507-W509 VanDerWaalsContact O-CD1 3.31Å; W509-L518 HydrophobicContact CE3-CB 4.28Å; W509-V519 CarbonylContact C-O 3.59Å; W509-V519 WeakPolarHBondContact CA-O 3.5Å; W509-H520 HydrophobicContact CE3-CB 3.99Å; W509-H520 HydrophobicContact CH2-CB 4.07Å; W509-H520 HydrophobicContact CZ3-CB 3.73Å; W509-L527 HydrophobicContact CH2-CD1 4.32Å; W509-L527 HydrophobicContact CZ3-CB 4.04Å; W509-V540 HydrophobicContact CH2-CG1 3.82Å; W509-V540 HydrophobicContact CZ3-CG1 4.18Å
510E96Very high92.2Very high90 Ų9054.9 Ų54.942%0.42129%0.29SS..EExtended strand (participates in β ladder)trans-107.4121174.4-175.9139.5-130.400110.3K477 V519 V521K477-E510 IonicContact NZ-OE1 2.78Å; K477-E510 PolarHBondContact NZ-OE1 2.93Å; K477-E510 IonicContact NZ-OE2 3.91Å; E510-V519 HydrophobicContact CB-CB 4.45Å; E510-V519 PolarHBondContact N-O 3.23Å; E510-V519 PolarHBondContact O-N 2.95Å; E510-V521 HydrophobicContact CB-CG2 3.99Å
511Y95.8Very high92.7Very high43 Ų4356 Ų5617%0.16930%0.295CS..EExtended strand (participates in β ladder)trans-93.3122.4174.2-174.5-119.5000110.8Y473 P513 L516 L518 W551 L553Y473-Y511 PolarHBondContact OH-N 3.46Å; Y511-P513 HydrophobicContact CD1-CB 4.43Å; Y511-P513 HydrophobicContact CE1-CB 4.13Å; Y511-P513 WeakPolarHBondContact O-CD 3.12Å; Y511-L516 WeakPolarHBondContact OH-CD2 3.44Å; Y511-L518 HydrophobicContact CD2-CD2 3.53Å; Y511-L518 HydrophobicContact CD2-CG 3.81Å; Y511-L518 HydrophobicContact CE2-CD2 4.5Å; Y511-L518 HydrophobicContact CE2-CG 4.43Å; Y511-L518 HydrophobicContact CG-CD2 4.04Å; Y511-W551 WeakPolarHBondContact CE2-O 3.28Å; Y511-W551 PolarHBondContact OH-O 2.96Å; Y511-L553 HydrophobicContact CD1-CD2 3.87Å; Y511-L553 HydrophobicContact CD2-CD1 4.02Å; Y511-L553 HydrophobicContact CD2-CD2 4.27Å; Y511-L553 HydrophobicContact CE1-CB 4.45Å; Y511-L553 HydrophobicContact CE1-CD1 4.39Å; Y511-L553 HydrophobicContact CE1-CD2 4.01Å; Y511-L553 HydrophobicContact CE2-CD1 3.62Å; Y511-L553 HydrophobicContact CE2-CD2 4.41Å; Y511-L553 HydrophobicContact CG-CD2 3.98Å
512D94.1Very high93Very high45 Ų4557.2 Ų57.224%0.24131%0.305CS..EExtended strand (participates in β ladder)trans-92.9109169.7-175.6-30.7000108.9V514 K515 L516 T517D512-V514 VanDerWaalsContact C-N 3.26Å; D512-V514 PolarHBondContact O-N 2.88Å; D512-V514 WeakPolarHBondContact OD1-CA 3.38Å; D512-V514 WeakPolarHBondContact OD1-CB 3.41Å; D512-V514 PolarHBondContact OD1-N 3.4Å; D512-K515 HydrophobicContact CB-CB 4.16Å; D512-K515 PolarHBondContact OD1-N 2.96Å; D512-K515 VanDerWaalsContact OD2-CD 3.22Å; D512-K515 WeakPolarHBondContact OD2-CD 3.5Å; D512-K515 WeakPolarHBondContact OD2-CE 3.26Å; D512-K515 VanDerWaalsContact OD2-CG 3.31Å; D512-K515 WeakPolarHBondContact OD2-CG 3.44Å; D512-L516 WeakPolarHBondContact O-CA 3.47Å; D512-L516 PolarHBondContact O-N 3.45Å; D512-T517 PolarHBondContact N-O 3.48Å; D512-T517 PolarHBondContact O-N 3.33Å
513P90.2Very high93.5Very high92 Ų9253.4 Ų53.460%0.59729%0.29SS*.THydrogen-bonded Turntrans-73.9-14.9-177.431.2-36.1000113.5Y511 L516Y511-P513 HydrophobicContact CD1-CB 4.43Å; Y511-P513 HydrophobicContact CE1-CB 4.13Å; Y511-P513 WeakPolarHBondContact O-CD 3.12Å; P513-L516 WeakPolarHBondContact O-CD2 3.27Å
514V92.3Very high94Very high133 Ų13352.4 Ų52.481%0.80629%0.285SS*.THydrogen-bonded Turntrans-85.1-45.8177.1-179.30000109.7D512D512-V514 VanDerWaalsContact C-N 3.26Å; D512-V514 PolarHBondContact O-N 2.88Å; D512-V514 WeakPolarHBondContact OD1-CA 3.38Å; D512-V514 WeakPolarHBondContact OD1-CB 3.41Å; D512-V514 PolarHBondContact OD1-N 3.4Å
515K93.3Very high94.4Very high90 Ų9046.7 Ų46.739%0.39126%0.26SS..THydrogen-bonded Turntrans-84.9-12.6178.5-60.7-177.7-168.71740113.4D512 T517 H545 Q550D512-K515 HydrophobicContact CB-CB 4.16Å; D512-K515 PolarHBondContact OD1-N 2.96Å; D512-K515 VanDerWaalsContact OD2-CD 3.22Å; D512-K515 WeakPolarHBondContact OD2-CD 3.5Å; D512-K515 WeakPolarHBondContact OD2-CE 3.26Å; D512-K515 VanDerWaalsContact OD2-CG 3.31Å; D512-K515 WeakPolarHBondContact OD2-CG 3.44Å; K515-T517 HydrophobicContact CB-CG2 4.17Å; K515-T517 PolarHBondContact O-N 3.32Å; K515-H545 PolarHBondContact NZ-NE2 3.36Å; K515-Q550 WeakPolarHBondContact O-CG 3.11Å
516L95.8Very high94.8Very high44 Ų4445.2 Ų45.223%0.2325%0.245CC..THydrogen-bonded Turntrans58.630.7-173.5-53.2173.7000113Y511 D512 P513 Q550 W551 L552Y511-L516 WeakPolarHBondContact OH-CD2 3.44Å; D512-L516 WeakPolarHBondContact O-CA 3.47Å; D512-L516 PolarHBondContact O-N 3.45Å; P513-L516 WeakPolarHBondContact O-CD2 3.27Å; L516-Q550 HydrophobicContact CB-CB 4.23Å; L516-Q550 HydrophobicContact CB-CG 4.3Å; L516-Q550 CarbonylContact O-C 3.52Å; L516-Q550 WeakPolarHBondContact O-CA 3.35Å; L516-W551 PolarHBondContact O-N 3.08Å; L516-L552 HydrophobicContact CD1-CD2 3.73Å; L516-L552 HydrophobicContact CD2-CD2 4.21Å
517T95.9Very high95Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-109.2138.6-173.951.60000111.5D512 K515 H545 Q549D512-T517 PolarHBondContact N-O 3.48Å; D512-T517 PolarHBondContact O-N 3.33Å; K515-T517 HydrophobicContact CB-CG2 4.17Å; K515-T517 PolarHBondContact O-N 3.32Å; T517-H545 HydrophobicContact CG2-CB 4.37Å; T517-Q549 HydrophobicContact CG2-CB 4.43Å; T517-Q549 WeakPolarHBondContact CG2-O 3.16Å
518L96.4Very high95Very high0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-97110.6170.9-73.6165.4000109I436 I479 W509 Y511 C526 L527 W551 L553I436-L518 HydrophobicContact CG2-CD1 4.06Å; I479-L518 HydrophobicContact CD1-CD1 3.95Å; I479-L518 HydrophobicContact CD1-CD2 4Å; I479-L518 HydrophobicContact CD1-CG 4.47Å; W509-L518 HydrophobicContact CE3-CB 4.28Å; Y511-L518 HydrophobicContact CD2-CD2 3.53Å; Y511-L518 HydrophobicContact CD2-CG 3.81Å; Y511-L518 HydrophobicContact CE2-CD2 4.5Å; Y511-L518 HydrophobicContact CE2-CG 4.43Å; Y511-L518 HydrophobicContact CG-CD2 4.04Å; L518-C526 CarbonylContact O-C 3.59Å; L518-C526 WeakPolarHBondContact O-CA 3.49Å; L518-L527 HydrophobicContact CB-CB 3.99Å; L518-L527 HydrophobicContact CB-CD2 4.43Å; L518-L527 HydrophobicContact CD1-CD2 3.79Å; L518-L527 PolarHBondContact O-N 3Å; L518-W551 HydrophobicContact CD1-CB 4.18Å; L518-W551 HydrophobicContact CD1-CG 4.28Å; L518-L553 HydrophobicContact CD1-CD1 4.4Å
519V96.9Very high94.9Very high30 Ų3045.2 Ų45.218%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-97.5122.6-179.1-1730000109.3W509 E510 V521W509-V519 CarbonylContact C-O 3.59Å; W509-V519 WeakPolarHBondContact CA-O 3.5Å; E510-V519 HydrophobicContact CB-CB 4.45Å; E510-V519 PolarHBondContact N-O 3.23Å; E510-V519 PolarHBondContact O-N 2.95Å; V519-V521 PolarHBondContact O-N 3.35Å
520H96.4Very high94.5Very high2 Ų245.8 Ų45.81%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-77111.6168.3178.5-116.9000109.1N506 W509 N522 S523 N524 Q525 V540N506-H520 VanDerWaalsContact CA-NE2 3.35Å; N506-H520 WeakPolarHBondContact CA-NE2 3.25Å; N506-H520 PolarHBondContact O-NE2 2.95Å; N506-H520 VanDerWaalsContact O-NE2 3.08Å; W509-H520 HydrophobicContact CE3-CB 3.99Å; W509-H520 HydrophobicContact CH2-CB 4.07Å; W509-H520 HydrophobicContact CZ3-CB 3.73Å; H520-N522 VanDerWaalsContact C-N 3.35Å; H520-N522 PolarHBondContact O-N 3.44Å; H520-S523 WeakPolarHBondContact ND1-CB 3.39Å; H520-S523 PolarHBondContact ND1-N 3.5Å; H520-S523 PolarHBondContact ND1-OG 3.48Å; H520-S523 PolarHBondContact O-N 2.91Å; H520-N524 WeakPolarHBondContact O-CA 3.28Å; H520-N524 PolarHBondContact O-N 3.39Å; H520-Q525 PolarHBondContact N-O 2.87Å; H520-V540 HydrophobicContact CB-CG1 4.11Å
521V93.9Very high93.9Very high48 Ų4843.3 Ų43.329%0.29124%0.239SC..THydrogen-bonded Turntrans-65.7-36.7-166.2177.20000112.1L508 E510 V519 N524L508-V521 HydrophobicContact CB-CB 4.26Å; L508-V521 HydrophobicContact CB-CG2 4.46Å; L508-V521 HydrophobicContact CD2-CB 3.76Å; L508-V521 HydrophobicContact CD2-CG1 3.76Å; L508-V521 HydrophobicContact CD2-CG2 3.95Å; L508-V521 HydrophobicContact CG-CB 3.94Å; L508-V521 HydrophobicContact CG-CG1 4.48Å; L508-V521 HydrophobicContact CG-CG2 3.8Å; L508-V521 PolarHBondContact O-N 2.88Å; E510-V521 HydrophobicContact CB-CG2 3.99Å; V519-V521 PolarHBondContact O-N 3.35Å; V521-N524 PolarHBondContact O-OD1 3.5Å
522N93.1Very high93.1Very high101 Ų10150.8 Ų50.854%0.5428%0.276SS..THydrogen-bonded Turntrans-71.7-33.1-176.8-168.534.1000113N506 H520N506-N522 PolarHBondContact OD1-ND2 2.82Å; H520-N522 VanDerWaalsContact C-N 3.35Å; H520-N522 PolarHBondContact O-N 3.44Å
523S93.3Very high92.3Very high22 Ų2257.5 Ų57.515%0.15431%0.306CS..THydrogen-bonded Turntrans-95.6-12.4177.6630000114.1L491 H520 Q525L491-S523 VanDerWaalsContact CD2-CB 3.44Å; H520-S523 WeakPolarHBondContact ND1-CB 3.39Å; H520-S523 PolarHBondContact ND1-N 3.5Å; H520-S523 PolarHBondContact ND1-OG 3.48Å; H520-S523 PolarHBondContact O-N 2.91Å; S523-Q525 PolarHBondContact O-N 2.99Å; S523-Q525 WeakPolarHBondContact OG-CB 3.15Å; S523-Q525 PolarHBondContact OG-N 2.92Å
524N94.9Very high91.8Very high123 Ų12355.8 Ų55.866%0.65829%0.292SS*.THydrogen-bonded Turntrans53.731.6-167.3-68.7-40.3000113.3H520 V521H520-N524 WeakPolarHBondContact O-CA 3.28Å; H520-N524 PolarHBondContact O-N 3.39Å; V521-N524 PolarHBondContact O-OD1 3.5Å
525Q96.8Very high91.3Very high6 Ų653.4 Ų53.43%0.02828%0.281CS..EExtended strand (participates in β ladder)trans-111.5150178.9-64.6-167.4-6100110.5N492 H520 S523 V540 R541 D542N492-Q525 PolarHBondContact OD1-NE2 3.15Å; H520-Q525 PolarHBondContact N-O 2.87Å; S523-Q525 PolarHBondContact O-N 2.99Å; S523-Q525 WeakPolarHBondContact OG-CB 3.15Å; S523-Q525 PolarHBondContact OG-N 2.92Å; Q525-V540 HydrophobicContact CB-CB 3.82Å; Q525-V540 HydrophobicContact CB-CG2 4.18Å; Q525-R541 CarbonylContact C-O 3.56Å; Q525-R541 WeakPolarHBondContact CA-O 3.28Å; Q525-R541 VanDerWaalsContact CB-O 3.25Å; Q525-R541 WeakPolarHBondContact CB-O 3.47Å; Q525-D542 PolarHBondContact NE2-OD1 3.4Å
526C97.1Very high91Very high0 Ų053 Ų530%028%0.28CS..EExtended strand (participates in β ladder)trans-93.8144.4-178.8-75.20000110.5L518 D528 V540 R541 C543 Q549L518-C526 CarbonylContact O-C 3.59Å; L518-C526 WeakPolarHBondContact O-CA 3.49Å; C526-D528 PolarHBondContact O-N 2.82Å; C526-V540 CarbonylContact O-C 3.4Å; C526-V540 VanDerWaalsContact O-CA 3.29Å; C526-V540 WeakPolarHBondContact O-CA 3.38Å; C526-R541 PolarHBondContact N-O 3.47Å; C526-R541 PolarHBondContact O-N 3.12Å; C526-C543 PolarHBondContact N-SG 2.82Å; C526-C543 PolarHBondContact SG-SG 3.22Å; C526-C543 CovalentContact SG-SG 2.05Å; C526-C543 WeakPolarHBondContact SG-CB 3.43Å; C526-C543 WeakPolarHBondContact CB-SG 3.38Å; C526-C543 HydrophobicContact CB-CB 4.03Å; C526-Q549 HydrophobicContact CB-CB 4.44Å; C526-Q549 HydrophobicContact CB-CG 4.4Å
527L96.9Very high90.7Very high0 Ų051.2 Ų51.20%027%0.271CS..EExtended strand (participates in β ladder)trans-62.2121.7168.8-176.265.2000109.3L445 V495 W509 L518 P538 Q549 W551L445-L527 HydrophobicContact CD1-CD2 4.25Å; V495-L527 HydrophobicContact CG2-CD1 3.56Å; W509-L527 HydrophobicContact CH2-CD1 4.32Å; W509-L527 HydrophobicContact CZ3-CB 4.04Å; L518-L527 HydrophobicContact CB-CB 3.99Å; L518-L527 HydrophobicContact CB-CD2 4.43Å; L518-L527 HydrophobicContact CD1-CD2 3.79Å; L518-L527 PolarHBondContact O-N 3Å; L527-P538 HydrophobicContact CD1-CB 4.07Å; L527-Q549 WeakPolarHBondContact O-CA 3.43Å; L527-W551 PolarHBondContact O-NE1 3.26Å; L527-W551 HydrophobicContact CG-CZ2 3.81Å; L527-W551 HydrophobicContact CD2-CG 4.39Å; L527-W551 HydrophobicContact CD2-CD2 4.06Å; L527-W551 HydrophobicContact CD2-CZ2 3.92Å
528D95.6Very high90.6Very high22 Ų2251.2 Ų51.212%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-113.6159.9178.4-145.9-26.4000110.5C526 P538 S539 R541 S548 Q549C526-D528 PolarHBondContact O-N 2.82Å; D528-P538 VanDerWaalsContact O-CB 3.25Å; D528-P538 WeakPolarHBondContact O-CB 3.31Å; D528-S539 PolarHBondContact N-O 3.48Å; D528-S539 PolarHBondContact O-N 2.8Å; D528-R541 HydrophobicContact CB-CB 4.15Å; D528-R541 HydrophobicContact CB-CG 3.94Å; D528-S548 VanDerWaalsContact OD1-C 3.29Å; D528-S548 WeakPolarHBondContact OD1-CB 3.3Å; D528-S548 PolarHBondContact OD1-OG 2.93Å; D528-Q549 HydrophobicContact CB-CG 3.95Å; D528-Q549 PolarHBondContact OD2-NE2 2.87Å; D528-Q549 WeakPolarHBondContact OD2-CG 3.06Å
529K92.1Very high90.6Very high59 Ų5951.7 Ų51.726%0.25728%0.275SS..EExtended strand (participates in β ladder)trans-60.8169.8174.172.9177.6-179.1-175.40111E440 T441 S531 S548E440-K529 IonicContact OE1-NZ 2.66Å; E440-K529 PolarHBondContact OE1-NZ 3.23Å; E440-K529 VanDerWaalsContact OE2-CD 3.27Å; E440-K529 WeakPolarHBondContact OE2-CD 3.46Å; E440-K529 VanDerWaalsContact OE2-CE 3.25Å; E440-K529 WeakPolarHBondContact OE2-CE 3.21Å; E440-K529 IonicContact OE2-NZ 3.84Å; E440-K529 PolarHBondContact OE2-NZ 3.24Å; T441-K529 HydrophobicContact CG2-CB 4.38Å; T441-K529 HydrophobicContact CG2-CD 3.69Å; K529-S531 PolarHBondContact O-N 3.21Å; K529-S548 PolarHBondContact N-O 3.5Å
530A87.9Confident90.5Very high11 Ų1150.3 Ų50.39%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-59.7137.5171.100000111.8I458 D534 S535 V537I458-A530 HydrophobicContact CD1-CB 3.36Å; I458-A530 HydrophobicContact CG1-CB 3.98Å; A530-D534 WeakPolarHBondContact CB-O 3.39Å; A530-S535 WeakPolarHBondContact CB-O 3.4Å; A530-V537 VanDerWaalsContact CA-O 3.31Å; A530-V537 WeakPolarHBondContact CA-O 3.36Å
531S83.6Confident90.4Very high38 Ų3854.8 Ų54.827%0.26628%0.283SS..PPolyproline II helixtrans-73.9164.1173.263.90000110.6K529 E533 D534 S535K529-S531 PolarHBondContact O-N 3.21Å; S531-E533 PolarHBondContact O-N 3.02Å; S531-D534 PolarHBondContact OG-N 3.32Å; S531-D534 PolarHBondContact O-N 3.05Å; S531-D534 CarbonylContact O-C 3.22Å; S531-D534 VanDerWaalsContact O-C 3.22Å; S531-S535 WeakPolarHBondContact O-CA 3.46Å; S531-S535 PolarHBondContact O-N 2.85Å; S531-S535 VanDerWaalsContact O-CA 3.29Å
532E77.8Confident90.6Very high201 Ų20157.5 Ų57.594%0.93930%0.296SS*.SBendtrans-62.5-27.3174.7-64.8-174.5171.900112.5
533E77.4Confident90.7Very high186 Ų18654.9 Ų54.987%0.86929%0.285SS*.THydrogen-bonded Turntrans-72.9-33.4178.2-63.8176.9174.400113.4S531S531-E533 PolarHBondContact O-N 3.02Å
534D81Confident90.7Very high56 Ų5658.1 Ų58.130%0.29930%0.304SS..THydrogen-bonded Turntrans-134.872.4177.7-166.3-11.5000108.8K455 A530 S531 Q536 V537K455-D534 IonicContact NZ-OD2 2.79Å; K455-D534 PolarHBondContact NZ-OD2 2.78Å; A530-D534 WeakPolarHBondContact CB-O 3.39Å; S531-D534 PolarHBondContact OG-N 3.32Å; S531-D534 PolarHBondContact O-N 3.05Å; S531-D534 CarbonylContact O-C 3.22Å; S531-D534 VanDerWaalsContact O-C 3.22Å; D534-Q536 PolarHBondContact O-N 3Å; D534-V537 HydrophobicContact CB-CB 4.38Å; D534-V537 PolarHBondContact O-N 3.3Å; D534-V537 WeakPolarHBondContact OD1-CG2 3.4Å; D534-V537 WeakPolarHBondContact OD2-CB 3.28Å; D534-V537 WeakPolarHBondContact OD2-CG2 3.43Å
535S82.3Confident90.6Very high83 Ų8355.6 Ų55.658%0.5829%0.288SS*.THydrogen-bonded Turntrans-59.9-5.5-167.8630000116.1A530 S531A530-S535 WeakPolarHBondContact CB-O 3.4Å; S531-S535 WeakPolarHBondContact O-CA 3.46Å; S531-S535 PolarHBondContact O-N 2.85Å; S531-S535 VanDerWaalsContact O-CA 3.29Å
536Q85.6Confident90.4Very high81 Ų8157.4 Ų57.438%0.37930%0.301SS..THydrogen-bonded Turntrans-114.8-5.5179-65.4-169.1-12.900113.7G457 I458 D534G457-Q536 CarbonylContact C-O 3.58Å; G457-Q536 WeakPolarHBondContact CA-O 3.32Å; I458-Q536 PolarHBondContact N-O 2.87Å; D534-Q536 PolarHBondContact O-N 3Å
537V90.8Very high90.3Very high6 Ų664.6 Ų64.64%0.03633%0.329CS..  trans-119.5114.7-170.1176.40000110.3K455 P494 A530 D534K455-V537 HydrophobicContact CB-CG1 3.95Å; K455-V537 HydrophobicContact CB-CG2 4.11Å; K455-V537 HydrophobicContact CD-CB 4.47Å; K455-V537 HydrophobicContact CD-CG1 3.88Å; K455-V537 HydrophobicContact CD-CG2 3.87Å; K455-V537 HydrophobicContact CG-CG1 4.14Å; P494-V537 HydrophobicContact CB-CG1 3.7Å; A530-V537 VanDerWaalsContact CA-O 3.31Å; A530-V537 WeakPolarHBondContact CA-O 3.36Å; D534-V537 HydrophobicContact CB-CB 4.38Å; D534-V537 PolarHBondContact O-N 3.3Å; D534-V537 WeakPolarHBondContact OD1-CG2 3.4Å; D534-V537 WeakPolarHBondContact OD2-CB 3.28Å; D534-V537 WeakPolarHBondContact OD2-CG2 3.43Å
538P93.6Very high90.2Very high0 Ų065.4 Ų65.40%033%0.334CS..EExtended strand (participates in β ladder)trans-71.3151.8174.233-32.2000110.3L445 V456 I458 V495 L527 D528L445-P538 HydrophobicContact CD2-CB 4.48Å; L445-P538 HydrophobicContact CD2-CG 3.86Å; V456-P538 HydrophobicContact CG1-CG 3.54Å; V456-P538 WeakPolarHBondContact O-CD 3.46Å; I458-P538 HydrophobicContact CG2-CB 4.28Å; I458-P538 HydrophobicContact CG2-CG 4.13Å; V495-P538 PolarHBondContact N-O 3.27Å; V495-P538 VanDerWaalsContact N-O 3.13Å; L527-P538 HydrophobicContact CD1-CB 4.07Å; D528-P538 VanDerWaalsContact O-CB 3.25Å; D528-P538 WeakPolarHBondContact O-CB 3.31Å
539S94.9Very high90.2Very high11 Ų1164.4 Ų64.48%0.07733%0.329CS..EExtended strand (participates in β ladder)trans-132160-179.759.30000109.9G493 D528 R541G493-S539 VanDerWaalsContact O-CA 3.25Å; G493-S539 WeakPolarHBondContact O-CA 3.33Å; G493-S539 WeakPolarHBondContact O-CB 3.48Å; D528-S539 PolarHBondContact N-O 3.48Å; D528-S539 PolarHBondContact O-N 2.8Å; S539-R541 PolarHBondContact OG-NE 2.98Å
540V95.8Very high90.4Very high0 Ų063.9 Ų63.90%033%0.327CS..EExtended strand (participates in β ladder)trans-83.4142.8165.5-65.80000109.7V488 N492 G493 V495 W509 H520 Q525 C526V488-V540 HydrophobicContact CB-CG1 4.47Å; V488-V540 HydrophobicContact CG1-CB 4.45Å; V488-V540 HydrophobicContact CG1-CG1 4.12Å; V488-V540 HydrophobicContact CG1-CG2 3.51Å; V488-V540 HydrophobicContact CG2-CG1 3.68Å; N492-V540 CarbonylContact C-O 3.46Å; N492-V540 VanDerWaalsContact CA-O 3.23Å; N492-V540 WeakPolarHBondContact CA-O 3.48Å; G493-V540 PolarHBondContact O-N 2.93Å; V495-V540 HydrophobicContact CG2-CG1 4.36Å; W509-V540 HydrophobicContact CH2-CG1 3.82Å; W509-V540 HydrophobicContact CZ3-CG1 4.18Å; H520-V540 HydrophobicContact CB-CG1 4.11Å; Q525-V540 HydrophobicContact CB-CB 3.82Å; Q525-V540 HydrophobicContact CB-CG2 4.18Å; C526-V540 CarbonylContact O-C 3.4Å; C526-V540 VanDerWaalsContact O-CA 3.29Å; C526-V540 WeakPolarHBondContact O-CA 3.38Å
541R95.3Very high90.7Very high96 Ų9663.3 Ų63.336%0.36232%0.323SS..EExtended strand (participates in β ladder)trans-142.3166.3176.3-65.6-64.3-178.8157.52.7110.2N492 Q525 C526 D528 S539 C543N492-R541 WeakPolarHBondContact OD1-CD 3.18Å; Q525-R541 CarbonylContact C-O 3.56Å; Q525-R541 WeakPolarHBondContact CA-O 3.28Å; Q525-R541 VanDerWaalsContact CB-O 3.25Å; Q525-R541 WeakPolarHBondContact CB-O 3.47Å; C526-R541 PolarHBondContact N-O 3.47Å; C526-R541 PolarHBondContact O-N 3.12Å; D528-R541 HydrophobicContact CB-CB 4.15Å; D528-R541 HydrophobicContact CB-CG 3.94Å; S539-R541 PolarHBondContact OG-NE 2.98Å; R541-C543 PolarHBondContact O-N 3.1Å
542D96.6Very high91.2Very high106 Ų10663.9 Ų63.957%0.56732%0.322SS*.EExtended strand (participates in β ladder)trans-54.6136.4175-61.9-20.5000110.6Q525 T544 Q549Q525-D542 PolarHBondContact NE2-OD1 3.4Å; D542-T544 PolarHBondContact O-N 2.81Å; D542-Q549 PolarHBondContact O-NE2 3.48Å
543C95.5Very high91.8Very high45 Ų4555.9 Ų55.930%0.30429%0.286SS..  trans-68.7103.9-173.2-72.40000110.9C526 R541C526-C543 PolarHBondContact N-SG 2.82Å; C526-C543 PolarHBondContact SG-SG 3.22Å; C526-C543 CovalentContact SG-SG 2.05Å; C526-C543 WeakPolarHBondContact SG-CB 3.43Å; C526-C543 WeakPolarHBondContact CB-SG 3.38Å; C526-C543 HydrophobicContact CB-CB 4.03Å; R541-C543 PolarHBondContact O-N 3.1Å
544T94.4Very high92Very high90 Ų9052.1 Ų52.155%0.55226%0.264SS*.  trans-98.1-17172.761.20000111.9D542 S546 Q549D542-T544 PolarHBondContact O-N 2.81Å; T544-S546 PolarHBondContact O-N 3.19Å; T544-S546 VanDerWaalsContact O-N 3.12Å; T544-S546 WeakPolarHBondContact OG1-CB 3.42Å; T544-S546 PolarHBondContact OG1-N 3.5Å; T544-S546 PolarHBondContact OG1-OG 2.99Å; T544-Q549 VanDerWaalsContact OG1-CD 3.32Å; T544-Q549 PolarHBondContact OG1-NE2 2.64Å; T544-Q549 PolarHBondContact OG1-OE1 3.2Å
545H90.9Very high91.7Very high70 Ų7053.9 Ų53.932%0.32427%0.273SS..  trans56.621.7-174.7-47.9-60.5000113.5K515 T517 Q549 Q550K515-H545 PolarHBondContact NZ-NE2 3.36Å; T517-H545 HydrophobicContact CG2-CB 4.37Å; H545-Q549 VanDerWaalsContact N-OE1 3.13Å; H545-Q550 PolarHBondContact O-NE2 3.4Å
546S94.2Very high91Very high44 Ų4451.5 Ų51.531%0.30826%0.255SS..  trans-66.1168174.470.60000110.8T544 S548 Q549 Q550T544-S546 PolarHBondContact O-N 3.19Å; T544-S546 VanDerWaalsContact O-N 3.12Å; T544-S546 WeakPolarHBondContact OG1-CB 3.42Å; T544-S546 PolarHBondContact OG1-N 3.5Å; T544-S546 PolarHBondContact OG1-OG 2.99Å; S546-S548 PolarHBondContact O-N 3.18Å; S546-S548 VanDerWaalsContact O-N 3.1Å; S546-S548 PolarHBondContact OG-N 3.36Å; S546-S548 PolarHBondContact OG-OG 3.03Å; S546-Q549 PolarHBondContact O-N 3.09Å; S546-Q550 WeakPolarHBondContact O-CG 3.27Å; S546-Q550 PolarHBondContact O-N 2.86Å
547R94.4Very high89.5Confident152 Ų15253.5 Ų53.557%0.57427%0.273SS*.G310 helixtrans-58.2-25.1175.6-67.6-169.566179.5-3113.4V439 E440 Q549 Q550V439-R547 PolarHBondContact O-NH2 3.3Å; E440-R547 HydrophobicContact CB-CB 4.02Å; E440-R547 HydrophobicContact CG-CB 4.48Å; E440-R547 PolarHBondContact N-O 3.47Å; R547-Q549 VanDerWaalsContact C-N 3.27Å; R547-Q549 PolarHBondContact O-N 3.46Å; R547-Q550 PolarHBondContact O-N 3.29Å
548S94.1Very high87.6Confident17 Ų1756 Ų5612%0.11929%0.286CS..G310 helixtrans-69.8-26.7177.477.70000112.5N438 E440 D528 K529 S546N438-S548 PolarHBondContact ND2-O 2.85Å; E440-S548 VanDerWaalsContact OE2-CA 3.28Å; E440-S548 WeakPolarHBondContact OE2-CA 3.25Å; E440-S548 WeakPolarHBondContact OE2-CB 3.39Å; D528-S548 VanDerWaalsContact OD1-C 3.29Å; D528-S548 WeakPolarHBondContact OD1-CB 3.3Å; D528-S548 PolarHBondContact OD1-OG 2.93Å; K529-S548 PolarHBondContact N-O 3.5Å; S546-S548 PolarHBondContact O-N 3.18Å; S546-S548 VanDerWaalsContact O-N 3.1Å; S546-S548 PolarHBondContact OG-N 3.36Å; S546-S548 PolarHBondContact OG-OG 3.03Å
549Q96.1Very high85.3Confident1 Ų161 Ų611%0.00532%0.318CS..G310 helixtrans-99.93.4178.2-64-178.4-3.600113.6T517 C526 L527 D528 D542 T544 H545 S546 R547T517-Q549 HydrophobicContact CG2-CB 4.43Å; T517-Q549 WeakPolarHBondContact CG2-O 3.16Å; C526-Q549 HydrophobicContact CB-CB 4.44Å; C526-Q549 HydrophobicContact CB-CG 4.4Å; L527-Q549 WeakPolarHBondContact O-CA 3.43Å; D528-Q549 HydrophobicContact CB-CG 3.95Å; D528-Q549 PolarHBondContact OD2-NE2 2.87Å; D528-Q549 WeakPolarHBondContact OD2-CG 3.06Å; D542-Q549 PolarHBondContact O-NE2 3.48Å; T544-Q549 VanDerWaalsContact OG1-CD 3.32Å; T544-Q549 PolarHBondContact OG1-NE2 2.64Å; T544-Q549 PolarHBondContact OG1-OE1 3.2Å; H545-Q549 VanDerWaalsContact N-OE1 3.13Å; S546-Q549 PolarHBondContact O-N 3.09Å; R547-Q549 VanDerWaalsContact C-N 3.27Å; R547-Q549 PolarHBondContact O-N 3.46Å
550Q96.8Very high82.3Confident47 Ų4768.1 Ų68.122%0.2235%0.35CS..BIsolated β-bridgetrans-91.8125.4178.2-73.8176.2-4.700110.7V439 K515 L516 H545 S546 R547V439-Q550 HydrophobicContact CB-CB 3.8Å; V439-Q550 HydrophobicContact CG1-CB 4.49Å; V439-Q550 HydrophobicContact CG2-CB 3.7Å; V439-Q550 WeakPolarHBondContact CG2-O 3.25Å; V439-Q550 PolarHBondContact N-O 3.27Å; K515-Q550 WeakPolarHBondContact O-CG 3.11Å; L516-Q550 HydrophobicContact CB-CB 4.23Å; L516-Q550 HydrophobicContact CB-CG 4.3Å; L516-Q550 CarbonylContact O-C 3.52Å; L516-Q550 WeakPolarHBondContact O-CA 3.35Å; H545-Q550 PolarHBondContact O-NE2 3.4Å; S546-Q550 WeakPolarHBondContact O-CG 3.27Å; S546-Q550 PolarHBondContact O-N 2.86Å; R547-Q550 PolarHBondContact O-N 3.29Å
551W94.8Very high79.5Confident0 Ų073 Ų730%038%0.38CS..EExtended strand (participates in β ladder)trans-127.5122.5-176.6-60.290.6000110.7I436 R437 N438 L445 I458 Y511 L516 L518 L527I436-W551 HydrophobicContact CG2-CB 4.05Å; I436-W551 HydrophobicContact CG2-CD2 4.29Å; I436-W551 HydrophobicContact CG2-CE3 3.81Å; I436-W551 HydrophobicContact CG2-CG 4.42Å; R437-W551 CarbonylContact O-C 3.6Å; R437-W551 WeakPolarHBondContact O-CA 3.29Å; N438-W551 HydrophobicContact CB-CD2 4.43Å; N438-W551 HydrophobicContact CB-CE3 3.85Å; N438-W551 HydrophobicContact CB-CH2 3.92Å; N438-W551 HydrophobicContact CB-CZ2 4.45Å; N438-W551 HydrophobicContact CB-CZ3 3.6Å; N438-W551 WeakPolarHBondContact ND2-CZ2 3.36Å; L445-W551 HydrophobicContact CD2-CH2 3.95Å; L445-W551 HydrophobicContact CD2-CZ3 3.93Å; L445-W551 HydrophobicContact CG-CZ3 4.02Å; I458-W551 HydrophobicContact CG2-CH2 4.14Å; Y511-W551 WeakPolarHBondContact CE2-O 3.28Å; Y511-W551 PolarHBondContact OH-O 2.96Å; L516-W551 PolarHBondContact O-N 3.08Å; L518-W551 HydrophobicContact CD1-CB 4.18Å; L518-W551 HydrophobicContact CD1-CG 4.28Å; L527-W551 PolarHBondContact O-NE1 3.26Å; L527-W551 HydrophobicContact CG-CZ2 3.81Å; L527-W551 HydrophobicContact CD2-CG 4.39Å; L527-W551 HydrophobicContact CD2-CD2 4.06Å; L527-W551 HydrophobicContact CD2-CZ2 3.92Å
552L92.9Very high76.4Confident49 Ų4980.1 Ų80.126%0.25741%0.414SS..EExtended strand (participates in β ladder)trans-87.2118.1173.2-64.1172.2000109.2R437 V439 L516 R554R437-L552 HydrophobicContact CB-CB 4.44Å; R437-L552 PolarHBondContact N-O 2.91Å; R437-L552 PolarHBondContact O-N 2.98Å; V439-L552 HydrophobicContact CG2-CD1 4.11Å; V439-L552 HydrophobicContact CG2-CD2 4.34Å; V439-L552 HydrophobicContact CG2-CG 3.75Å; L516-L552 HydrophobicContact CD1-CD2 3.73Å; L516-L552 HydrophobicContact CD2-CD2 4.21Å; L552-R554 HydrophobicContact CB-CG 4.29Å; L552-R554 PolarHBondContact O-N 3.01Å
553L90.1Very high75.4Confident33 Ų3378.8 Ų78.817%0.17341%0.406CS..EExtended strand (participates in β ladder)trans-84.9101.5169.4-89.460.2000107.6S432 I436 Y473 Y511 L518S432-L553 WeakPolarHBondContact OG-CB 3.34Å; I436-L553 HydrophobicContact CG1-CD1 4.27Å; I436-L553 HydrophobicContact CG1-CG 4.34Å; I436-L553 HydrophobicContact CG2-CD1 4.2Å; Y473-L553 HydrophobicContact CD1-CD2 3.97Å; Y473-L553 HydrophobicContact CG-CD2 4.19Å; Y511-L553 HydrophobicContact CD1-CD2 3.87Å; Y511-L553 HydrophobicContact CD2-CD1 4.02Å; Y511-L553 HydrophobicContact CD2-CD2 4.27Å; Y511-L553 HydrophobicContact CE1-CB 4.45Å; Y511-L553 HydrophobicContact CE1-CD1 4.39Å; Y511-L553 HydrophobicContact CE1-CD2 4.01Å; Y511-L553 HydrophobicContact CE2-CD1 3.62Å; Y511-L553 HydrophobicContact CE2-CD2 4.41Å; Y511-L553 HydrophobicContact CG-CD2 3.98Å; L518-L553 HydrophobicContact CD1-CD1 4.4Å
554R82.6Confident74.4Confident108 Ų10880.6 Ų80.641%0.40841%0.411SS..EExtended strand (participates in β ladder)trans-105.1114.3-179.3-70.3-179.8175.3-1680.5109.6G434 E435 L552 V556G434-R554 WeakPolarHBondContact CA-O 3.37Å; E435-R554 HydrophobicContact CG-CB 3.74Å; E435-R554 PolarHBondContact N-O 2.93Å; E435-R554 VanDerWaalsContact N-O 3.16Å; E435-R554 PolarHBondContact O-N 2.66Å; E435-R554 VanDerWaalsContact OE1-CD 3.26Å; E435-R554 WeakPolarHBondContact OE1-CD 3.24Å; E435-R554 IonicContact OE1-NH1 2.99Å; L552-R554 HydrophobicContact CB-CG 4.29Å; L552-R554 PolarHBondContact O-N 3.01Å; R554-V556 PolarHBondContact O-N 3.11Å
555N75.1Confident73.3Confident92 Ų9280.1 Ų80.149%0.49240%0.404SS..EExtended strand (participates in β ladder)trans-62.8134.9171.1-72.2-27.9000109.7S432 L433 T557S432-N555 VanDerWaalsContact CA-OD1 3.23Å; S432-N555 WeakPolarHBondContact CA-OD1 3.33Å; S432-N555 PolarHBondContact OG-OD1 3.44Å; S432-N555 VanDerWaalsContact OG-OD1 3.13Å; L433-N555 PolarHBondContact N-OD1 3.26Å; L433-N555 VanDerWaalsContact O-CA 3.29Å; L433-N555 WeakPolarHBondContact O-CA 3.33Å; N555-T557 PolarHBondContact O-N 2.94Å
556V66.2Low72.2Confident33 Ų3380.6 Ų80.620%0.241%0.408CS..  trans-70.1105.5170.81790000107.6I385 L433 R554 L558I385-V556 HydrophobicContact CB-CG1 4.46Å; I385-V556 HydrophobicContact CD1-CB 4.09Å; I385-V556 HydrophobicContact CD1-CG1 4.42Å; I385-V556 HydrophobicContact CG1-CB 3.99Å; I385-V556 HydrophobicContact CG1-CG1 3.85Å; I385-V556 HydrophobicContact CG2-CB 3.8Å; I385-V556 HydrophobicContact CG2-CG1 4.04Å; I385-V556 HydrophobicContact CG2-CG2 3.8Å; L433-V556 PolarHBondContact O-N 3.4Å; L433-V556 VanDerWaalsContact O-N 3.07Å; R554-V556 PolarHBondContact O-N 3.11Å; V556-L558 PolarHBondContact O-N 3.19Å
557T54.7Low70.8Confident123 Ų12382.9 Ų82.976%0.75542%0.415SS*.  trans-68.5114.6161.241.40000107.1N555N555-T557 PolarHBondContact O-N 2.94Å
558L51.8Low69.3Low59 Ų5978.3 Ų78.331%0.30940%0.404SS..  trans-52.6132.7167.6-72.1168.9000107.7N381 I385 V556 E560N381-L558 HydrophobicContact CB-CD1 3.75Å; N381-L558 VanDerWaalsContact CG-CD1 3.48Å; N381-L558 VanDerWaalsContact OD1-CD1 3.22Å; N381-L558 WeakPolarHBondContact OD1-CD1 3.11Å; I385-L558 HydrophobicContact CG1-CD2 3.84Å; I385-L558 HydrophobicContact CG1-CG 4.36Å; V556-L558 PolarHBondContact O-N 3.19Å; L558-E560 PolarHBondContact O-N 2.74Å
559P43.8Very low67.5Low104 Ų10482.7 Ų82.768%0.67542%0.424SS*.  trans-53.1131.6165.8-17.628.4000107.5V561P559-V561 WeakPolarHBondContact O-CG2 3.42Å; P559-V561 PolarHBondContact O-N 2.93Å
560E32.9Very low65.3Low162 Ų16289 Ų8976%0.75746%0.457SS*.  trans-53.5111168.8-73.2-177.4164.900107.2L558 F562L558-E560 PolarHBondContact O-N 2.74Å; E560-F562 HydrophobicContact CB-CD2 4.48Å; E560-F562 HydrophobicContact CB-CE2 4.08Å; E560-F562 PolarHBondContact O-N 3.44Å; E560-F562 VanDerWaalsContact O-N 3.14Å
561V36.4Very low62.7Low101 Ų10192.5 Ų92.561%0.61248%0.476SS*.  trans-77.699.6178.6-176.40000105.6P559P559-V561 WeakPolarHBondContact O-CG2 3.42Å; P559-V561 PolarHBondContact O-N 2.93Å
562F31.1Very low59.8Low246 Ų246100.9 Ų100.9100%1.07952%0.52SS*.  trans-75.50168.5-75.2-80.8000111.3E560E560-F562 HydrophobicContact CB-CD2 4.48Å; E560-F562 HydrophobicContact CB-CE2 4.08Å; E560-F562 PolarHBondContact O-N 3.44Å; E560-F562 VanDerWaalsContact O-N 3.14Å

Retrieved 562 of 562 residues in 2380.4 ms (Link to these results)

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