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protein-serine/threonine phosphatase

Serine/threonine protein phosphatase that may dephosphorylate and activate lipins. Lipins are phosphatidate phosphatases that catalyze the conversion of phosphatidic acid to diacylglycerol and control the metabolism of fatty acids at different levels. May indirectly modulate the lipid composition of nuclear and/or endoplasmic reticulum membranes and be required for proper nuclear membrane morphology and/or dynamics. May also indirectly regulate the production of lipid droplets and triacylglycerol. May antagonize BMP signaling.

AlphaFold DB , UniProt , Accession A0A060WD23, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531817, Length 245 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
1M54.1Low60.9Low188 Ų188122.4 Ų122.493%0.92662%0.624SS**  0-33.50-102.3175.87400115.2
2L54.8Low61.8Low138 Ų138127.4 Ų127.472%0.72363%0.629SS**Hα-helixtrans-69.9-42.3-178.8-10186.8000115.1T4 R5 Q6L2-T4 VanDerWaalsContact C-N 3.32Å; L2-T4 PolarHBondContact O-N 2.97Å; L2-R5 PolarHBondContact O-N 2.87Å; L2-Q6 PolarHBondContact O-N 3.28Å; L2-Q6 VanDerWaalsContact O-N 3.13Å
3K55.6Low62.7Low181 Ų181124.6 Ų124.679%0.78762%0.624SS**Hα-helixtrans-59.7-39.2-178.3-85.3-175.6174-179.40113.1Q6 C7K3-Q6 PolarHBondContact O-N 2.71Å; K3-C7 PolarHBondContact O-N 2.99Å; K3-C7 VanDerWaalsContact O-N 3.1Å
4T57.7Low63.9Low95 Ų95125.9 Ų125.958%0.58362%0.624SS**Hα-helixtrans-67.4-36.9179.2-260000111.8L2 L8L2-T4 VanDerWaalsContact C-N 3.32Å; L2-T4 PolarHBondContact O-N 2.97Å; T4-L8 PolarHBondContact O-N 3.19Å; T4-L8 VanDerWaalsContact O-N 3.1Å
5R56.8Low64.8Low184 Ų184124.3 Ų124.369%0.69462%0.618SS**Hα-helixtrans-69.6-39.2176.3-81.4-173.2163.4-167.9-3.5112.8L2 L9L2-R5 PolarHBondContact O-N 2.87Å; R5-L9 WeakPolarHBondContact O-CB 3.22Å; R5-L9 PolarHBondContact O-N 3.27Å
6Q58.4Low65.4Low136 Ų136118.6 Ų118.664%0.63660%0.601SS**Hα-helixtrans-66.7-39.4175.3-78.8176.3-24.200112.4L2 K3 L9 G10L2-Q6 PolarHBondContact O-N 3.28Å; L2-Q6 VanDerWaalsContact O-N 3.13Å; K3-Q6 PolarHBondContact O-N 2.71Å; Q6-L9 PolarHBondContact O-N 3.28Å; Q6-G10 PolarHBondContact O-N 2.96Å
7C60.7Low66.3Low78 Ų78116.4 Ų116.453%0.52759%0.594SS.*Hα-helixtrans-65.2-44.1176.2-170.30000112.1K3 L9 G10 I11K3-C7 PolarHBondContact O-N 2.99Å; K3-C7 VanDerWaalsContact O-N 3.1Å; C7-L9 VanDerWaalsContact C-N 3.3Å; C7-L9 PolarHBondContact O-N 3.45Å; C7-G10 PolarHBondContact O-N 3.15Å; C7-I11 WeakPolarHBondContact O-CG1 3.4Å; C7-I11 PolarHBondContact O-N 3.36Å
8L62.9Low67.3Low100 Ų100112.9 Ų112.952%0.52458%0.579SS.*Hα-helixtrans-61.4-36.5173.5-105.9130000112.9T4 R12T4-L8 PolarHBondContact O-N 3.19Å; T4-L8 VanDerWaalsContact O-N 3.1Å; L8-R12 WeakPolarHBondContact O-CG 3.33Å; L8-R12 PolarHBondContact O-N 2.6Å
9L64Low68.1Low118 Ų118111.2 Ų111.262%0.61858%0.579SS**Hα-helixtrans-66.6-42.9175.5-15278.2000111R5 Q6 C7 R12 T13R5-L9 WeakPolarHBondContact O-CB 3.22Å; R5-L9 PolarHBondContact O-N 3.27Å; Q6-L9 PolarHBondContact O-N 3.28Å; C7-L9 VanDerWaalsContact C-N 3.3Å; C7-L9 PolarHBondContact O-N 3.45Å; L9-R12 PolarHBondContact O-N 3.13Å; L9-T13 PolarHBondContact O-N 3.14Å; L9-T13 PolarHBondContact O-OG1 3.03Å
10G70.1Confident68.8Low36 Ų36116 Ų11637%0.37159%0.588SS.*Hα-helixtrans-62.6-39.6175.700000113.8Q6 C7 T13 F14Q6-G10 PolarHBondContact O-N 2.96Å; C7-G10 PolarHBondContact O-N 3.15Å; G10-T13 WeakPolarHBondContact CA-OG1 3.39Å; G10-T13 PolarHBondContact O-OG1 3.22Å; G10-T13 VanDerWaalsContact O-OG1 3.08Å; G10-F14 VanDerWaalsContact O-CB 3.22Å; G10-F14 WeakPolarHBondContact O-CB 3.4Å; G10-F14 PolarHBondContact O-N 3.1Å
11I75.1Confident69.7Low92 Ų92116 Ų11647%0.47259%0.588SS.*Hα-helixtrans-67.5-41174.5-66.9166.1000110.5C7 F14 L15C7-I11 WeakPolarHBondContact O-CG1 3.4Å; C7-I11 PolarHBondContact O-N 3.36Å; I11-F14 PolarHBondContact O-N 3.13Å; I11-L15 HydrophobicContact CG2-CD1 3.79Å; I11-L15 HydrophobicContact CG2-CG 4.27Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.19Å; I11-L15 PolarHBondContact O-N 3.19Å
12R70.9Confident71.1Confident183 Ų183114.7 Ų114.769%0.69157%0.573SS**Hα-helixtrans-65.4-42.2176.5-80.8-177.2169.5-172.4-2.7112.7L8 L9 G16L8-R12 WeakPolarHBondContact O-CG 3.33Å; L8-R12 PolarHBondContact O-N 2.6Å; L9-R12 PolarHBondContact O-N 3.13Å; R12-G16 PolarHBondContact O-N 3.09Å
13T73.4Confident72.5Confident91 Ų91110 Ų11056%0.55856%0.557SS**Hα-helixtrans-66.8-41.417435.50000111.5L9 G10 G16 V17L9-T13 PolarHBondContact O-N 3.14Å; L9-T13 PolarHBondContact O-OG1 3.03Å; G10-T13 WeakPolarHBondContact CA-OG1 3.39Å; G10-T13 PolarHBondContact O-OG1 3.22Å; G10-T13 VanDerWaalsContact O-OG1 3.08Å; T13-G16 PolarHBondContact O-N 2.99Å; T13-V17 VanDerWaalsContact O-CG2 3.3Å; T13-V17 WeakPolarHBondContact O-CG2 3.5Å; T13-V17 PolarHBondContact O-N 3.26Å
14F79.7Confident73.9Confident143 Ų143107.6 Ų107.663%0.62755%0.547SS*.Hα-helixtrans-60.1-49174.7-177.1-100.9000112G10 I11 G16 V17 T18G10-F14 VanDerWaalsContact O-CB 3.22Å; G10-F14 WeakPolarHBondContact O-CB 3.4Å; G10-F14 PolarHBondContact O-N 3.1Å; I11-F14 PolarHBondContact O-N 3.13Å; F14-G16 VanDerWaalsContact C-N 3.31Å; F14-G16 PolarHBondContact O-N 3.04Å; F14-V17 PolarHBondContact O-N 3.09Å; F14-T18 HydrophobicContact CD1-CG2 4.14Å; F14-T18 HydrophobicContact CE1-CG2 3.78Å; F14-T18 HydrophobicContact CE2-CG2 4.17Å; F14-T18 HydrophobicContact CG-CG2 4.49Å; F14-T18 HydrophobicContact CZ-CG2 3.8Å; F14-T18 WeakPolarHBondContact O-CG2 3.21Å; F14-T18 PolarHBondContact O-N 3.44Å; F14-T18 PolarHBondContact O-OG1 3.35Å
15L77.5Confident75.3Confident102 Ų102107.2 Ų107.253%0.53454%0.541SS..Hα-helixtrans-60.6-37.5175.2-73.3169.6000112.6I11 T18 S19I11-L15 HydrophobicContact CG2-CD1 3.79Å; I11-L15 HydrophobicContact CG2-CG 4.27Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.19Å; I11-L15 PolarHBondContact O-N 3.19Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-OG1 3.13Å; L15-T18 VanDerWaalsContact O-OG1 3.05Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.4Å
16G75.4Confident76.7Confident33 Ų33101.1 Ų101.134%0.3452%0.522SS..Hα-helixtrans-66.4-41.1174.900000112.7R12 T13 F14 R20R12-G16 PolarHBondContact O-N 3.09Å; T13-G16 PolarHBondContact O-N 2.99Å; F14-G16 VanDerWaalsContact C-N 3.31Å; F14-G16 PolarHBondContact O-N 3.04Å; G16-R20 WeakPolarHBondContact O-CG 3.42Å; G16-R20 PolarHBondContact O-N 3.1Å; G16-R20 VanDerWaalsContact O-N 3.1Å
17V80.3Confident77.9Confident80 Ų8099.3 Ų99.349%0.48551%0.509SS..Hα-helixtrans-68.5-46176.71720000110.8T13 F14 S19 R20 M21T13-V17 VanDerWaalsContact O-CG2 3.3Å; T13-V17 WeakPolarHBondContact O-CG2 3.5Å; T13-V17 PolarHBondContact O-N 3.26Å; F14-V17 PolarHBondContact O-N 3.09Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.32Å; V17-R20 PolarHBondContact O-N 2.75Å; V17-M21 HydrophobicContact CG1-CG 4.41Å; V17-M21 HydrophobicContact CG1-SD 4.27Å; V17-M21 WeakPolarHBondContact O-CG 3.23Å; V17-M21 PolarHBondContact O-N 2.72Å
18T84.2Confident79.1Confident54 Ų5498.4 Ų98.433%0.33150%0.499SS..Hα-helixtrans-63.8-38.5177.856.80000111.8F14 L15 M21 W22F14-T18 HydrophobicContact CD1-CG2 4.14Å; F14-T18 HydrophobicContact CE1-CG2 3.78Å; F14-T18 HydrophobicContact CE2-CG2 4.17Å; F14-T18 HydrophobicContact CG-CG2 4.49Å; F14-T18 HydrophobicContact CZ-CG2 3.8Å; F14-T18 WeakPolarHBondContact O-CG2 3.21Å; F14-T18 PolarHBondContact O-N 3.44Å; F14-T18 PolarHBondContact O-OG1 3.35Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-OG1 3.13Å; L15-T18 VanDerWaalsContact O-OG1 3.05Å; T18-M21 PolarHBondContact O-N 2.82Å; T18-W22 VanDerWaalsContact O-CB 3.29Å; T18-W22 WeakPolarHBondContact O-CB 3.44Å; T18-W22 PolarHBondContact O-N 3.29Å
19S82.7Confident80.2Confident81 Ų8198 Ų9857%0.56650%0.497SS*.Hα-helixtrans-60.6-43.8172.9177.50000112.4L15 V17 W22 G23L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.4Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.32Å; S19-W22 PolarHBondContact O-N 3.36Å; S19-G23 PolarHBondContact O-N 2.89Å
20R82.2Confident81.1Confident206 Ų20697.3 Ų97.378%0.77749%0.486SS*.Hα-helixtrans-66.1-42.3176-73.3178.3-178.5-170.61.3112.2G16 V17 G23 F24G16-R20 WeakPolarHBondContact O-CG 3.42Å; G16-R20 PolarHBondContact O-N 3.1Å; G16-R20 VanDerWaalsContact O-N 3.1Å; V17-R20 PolarHBondContact O-N 2.75Å; R20-G23 PolarHBondContact O-N 3.45Å; R20-F24 PolarHBondContact O-N 3.42Å
21M86.7Confident81.5Confident117 Ų117100.9 Ų100.958%0.57649%0.491SS*.Hα-helixtrans-62.7-43.9175.5-73.1-172.269.700111.4V17 T18 G23 F24 I25V17-M21 HydrophobicContact CG1-CG 4.41Å; V17-M21 HydrophobicContact CG1-SD 4.27Å; V17-M21 WeakPolarHBondContact O-CG 3.23Å; V17-M21 PolarHBondContact O-N 2.72Å; T18-M21 PolarHBondContact O-N 2.82Å; M21-G23 PolarHBondContact O-N 3.06Å; M21-F24 PolarHBondContact O-N 3.09Å; M21-I25 VanDerWaalsContact O-CG1 3.32Å; M21-I25 WeakPolarHBondContact O-CG1 3.25Å; M21-I25 PolarHBondContact O-N 3.3Å
22W84.9Confident81.9Confident161 Ų161102 Ų10261%0.6149%0.494SS*.Hα-helixtrans-61.4-43.9175-173.8-111.7000111.7T18 S19 F24 I25 L26T18-W22 VanDerWaalsContact O-CB 3.29Å; T18-W22 WeakPolarHBondContact O-CB 3.44Å; T18-W22 PolarHBondContact O-N 3.29Å; S19-W22 PolarHBondContact O-N 3.36Å; W22-F24 VanDerWaalsContact C-N 3.31Å; W22-F24 PolarHBondContact O-N 3.19Å; W22-I25 PolarHBondContact O-N 3.02Å; W22-L26 HydrophobicContact CG-CD1 4.49Å; W22-L26 HydrophobicContact CZ2-CD2 4.24Å; W22-L26 WeakPolarHBondContact O-CB 3.42Å; W22-L26 WeakPolarHBondContact O-CG 3.41Å; W22-L26 PolarHBondContact O-N 3.29Å
23G83.5Confident82.4Confident38 Ų3897.7 Ų97.739%0.39248%0.484SS..Hα-helixtrans-58.8-41.3173.600000112.8S19 R20 M21 Y27S19-G23 PolarHBondContact O-N 2.89Å; R20-G23 PolarHBondContact O-N 3.45Å; M21-G23 PolarHBondContact O-N 3.06Å; G23-Y27 WeakPolarHBondContact O-CB 3.16Å; G23-Y27 PolarHBondContact O-N 2.99Å
24F84.4Confident82.4Confident132 Ų13295.3 Ų95.358%0.57947%0.465SS*.Hα-helixtrans-66.5-43.9175.4-176.4-102.7000112.3R20 M21 W22 L26 Y27 I28R20-F24 PolarHBondContact O-N 3.42Å; M21-F24 PolarHBondContact O-N 3.09Å; W22-F24 VanDerWaalsContact C-N 3.31Å; W22-F24 PolarHBondContact O-N 3.19Å; F24-L26 PolarHBondContact O-N 2.86Å; F24-Y27 WeakPolarHBondContact O-CB 3.38Å; F24-Y27 PolarHBondContact O-N 2.96Å; F24-I28 HydrophobicContact CD1-CG1 4.32Å; F24-I28 HydrophobicContact CE1-CD1 4.43Å; F24-I28 HydrophobicContact CE1-CG1 3.94Å; F24-I28 HydrophobicContact CE2-CD1 4.43Å; F24-I28 HydrophobicContact CE2-CG1 4.45Å; F24-I28 HydrophobicContact CZ-CD1 4.04Å; F24-I28 HydrophobicContact CZ-CG1 4.02Å; F24-I28 WeakPolarHBondContact O-CG1 3.25Å; F24-I28 PolarHBondContact O-N 3.31Å
25I88.1Confident82.1Confident87 Ų8791.3 Ų91.345%0.44645%0.452SS..Hα-helixtrans-61-46.6175.8-68.7165.3000110.5M21 W22 Y27 I28 L29M21-I25 VanDerWaalsContact O-CG1 3.32Å; M21-I25 WeakPolarHBondContact O-CG1 3.25Å; M21-I25 PolarHBondContact O-N 3.3Å; W22-I25 PolarHBondContact O-N 3.02Å; I25-Y27 VanDerWaalsContact C-N 3.3Å; I25-Y27 PolarHBondContact O-N 2.63Å; I25-I28 PolarHBondContact O-N 3.17Å; I25-L29 WeakPolarHBondContact O-CB 3.5Å; I25-L29 PolarHBondContact O-N 3.12Å
26L85.7Confident82Confident56 Ų5690.4 Ų90.429%0.29345%0.451SS..Hα-helixtrans-61.2-39176.1-73.5179.6000112.1W22 F24 L29 R30W22-L26 HydrophobicContact CG-CD1 4.49Å; W22-L26 HydrophobicContact CZ2-CD2 4.24Å; W22-L26 WeakPolarHBondContact O-CB 3.42Å; W22-L26 WeakPolarHBondContact O-CG 3.41Å; W22-L26 PolarHBondContact O-N 3.29Å; F24-L26 PolarHBondContact O-N 2.86Å; L26-L29 PolarHBondContact O-N 2.85Å; L26-R30 VanDerWaalsContact O-CB 3.31Å; L26-R30 WeakPolarHBondContact O-CB 3.37Å; L26-R30 WeakPolarHBondContact O-CG 3.34Å; L26-R30 PolarHBondContact O-N 3.49Å
27Y83.6Confident81.7Confident97 Ų9791.4 Ų91.438%0.3845%0.448SS..Hα-helixtrans-60.1-49174.6170.2-86.3000111.3G23 F24 I25 R30 K31 P91G23-Y27 WeakPolarHBondContact O-CB 3.16Å; G23-Y27 PolarHBondContact O-N 2.99Å; F24-Y27 WeakPolarHBondContact O-CB 3.38Å; F24-Y27 PolarHBondContact O-N 2.96Å; I25-Y27 VanDerWaalsContact C-N 3.3Å; I25-Y27 PolarHBondContact O-N 2.63Å; Y27-R30 PolarHBondContact O-N 2.97Å; Y27-K31 WeakPolarHBondContact O-CB 3.26Å; Y27-K31 PolarHBondContact O-N 2.72Å; Y27-P91 HydrophobicContact CD2-CB 4.05Å; Y27-P91 HydrophobicContact CE2-CB 3.44Å; Y27-P91 VanDerWaalsContact CE2-CB 3.44Å; Y27-P91 HydrophobicContact CE2-CG 4.35Å
28I86.1Confident80.9Confident60 Ų6089.4 Ų89.431%0.30843%0.434SS..Hα-helixtrans-61.3-47177.8-66.5-63.6000110.4F24 I25 R30 K31 H32F24-I28 HydrophobicContact CD1-CG1 4.32Å; F24-I28 HydrophobicContact CE1-CD1 4.43Å; F24-I28 HydrophobicContact CE1-CG1 3.94Å; F24-I28 HydrophobicContact CE2-CD1 4.43Å; F24-I28 HydrophobicContact CE2-CG1 4.45Å; F24-I28 HydrophobicContact CZ-CD1 4.04Å; F24-I28 HydrophobicContact CZ-CG1 4.02Å; F24-I28 WeakPolarHBondContact O-CG1 3.25Å; F24-I28 PolarHBondContact O-N 3.31Å; I25-I28 PolarHBondContact O-N 3.17Å; I28-R30 PolarHBondContact O-N 2.93Å; I28-K31 WeakPolarHBondContact O-CB 3.41Å; I28-K31 PolarHBondContact O-N 2.74Å; I28-H32 VanDerWaalsContact CG2-CD2 3.48Å; I28-H32 WeakPolarHBondContact CG2-CD2 3.36Å; I28-H32 PolarHBondContact O-CD2 3.42Å; I28-H32 PolarHBondContact O-N 3.28Å
29L86.3Confident79.8Confident91 Ų9195.4 Ų95.448%0.47645%0.451SS..Hα-helixtrans-62-44.3179.2-175.4137.8000112.2I25 L26 K31 H32 L33I25-L29 WeakPolarHBondContact O-CB 3.5Å; I25-L29 PolarHBondContact O-N 3.12Å; L26-L29 PolarHBondContact O-N 2.85Å; L29-K31 VanDerWaalsContact C-N 3.35Å; L29-K31 PolarHBondContact O-N 3.07Å; L29-H32 PolarHBondContact O-N 2.94Å; L29-L33 HydrophobicContact CD2-CD1 3.5Å; L29-L33 VanDerWaalsContact CD2-CD1 3.5Å; L29-L33 HydrophobicContact CD2-CG 4.33Å; L29-L33 HydrophobicContact CG-CD1 4.28Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CG 3.22Å; L29-L33 PolarHBondContact O-N 3.29Å
30R82Confident78.8Confident104 Ų10497 Ų9739%0.39245%0.45SS..Hα-helixtrans-62-41.8174.8-74.9172.4-177.8-168.8-2111.9L26 Y27 I28 R34 P88 G89L26-R30 VanDerWaalsContact O-CB 3.31Å; L26-R30 WeakPolarHBondContact O-CB 3.37Å; L26-R30 WeakPolarHBondContact O-CG 3.34Å; L26-R30 PolarHBondContact O-N 3.49Å; Y27-R30 PolarHBondContact O-N 2.97Å; I28-R30 PolarHBondContact O-N 2.93Å; R30-R34 WeakPolarHBondContact O-CB 3.39Å; R30-R34 PolarHBondContact O-N 2.8Å; R30-P88 PolarHBondContact NH1-O 2.9Å; R30-G89 PolarHBondContact NH1-O 2.89Å
31K79.8Confident77.3Confident110 Ų11092.9 Ų92.948%0.47845%0.448SS..Hα-helixtrans-60.1-49.4176.4-172.6179178.4-177.40110.8Y27 I28 L29 R34 T35 P91Y27-K31 WeakPolarHBondContact O-CB 3.26Å; Y27-K31 PolarHBondContact O-N 2.72Å; I28-K31 WeakPolarHBondContact O-CB 3.41Å; I28-K31 PolarHBondContact O-N 2.74Å; L29-K31 VanDerWaalsContact C-N 3.35Å; L29-K31 PolarHBondContact O-N 3.07Å; K31-R34 PolarHBondContact O-N 3.49Å; K31-T35 PolarHBondContact O-N 3.5Å; K31-T35 VanDerWaalsContact O-N 3.1Å; K31-T35 PolarHBondContact O-OG1 2.77Å; K31-T35 VanDerWaalsContact O-OG1 3.11Å; K31-P91 HydrophobicContact CB-CG 4.15Å
32H82.9Confident76Confident117 Ų11791.3 Ų91.354%0.54244%0.444SS..Hα-helixtrans-65.7-43.6178.8-74.7-67.1000113.1I28 L29 R34 T35 V36I28-H32 VanDerWaalsContact CG2-CD2 3.48Å; I28-H32 WeakPolarHBondContact CG2-CD2 3.36Å; I28-H32 PolarHBondContact O-CD2 3.42Å; I28-H32 PolarHBondContact O-N 3.28Å; L29-H32 PolarHBondContact O-N 2.94Å; H32-R34 VanDerWaalsContact C-N 3.26Å; H32-R34 PolarHBondContact O-N 3.24Å; H32-T35 WeakPolarHBondContact O-CB 3.49Å; H32-T35 PolarHBondContact O-N 2.81Å; H32-V36 WeakPolarHBondContact O-CG2 3.5Å; H32-V36 PolarHBondContact O-N 3.43Å
33L80.1Confident75Confident91 Ų9193.4 Ų93.448%0.47645%0.452SS..Hα-helixtrans-57.2-41.6175.1-80.7172000111.7L29 V36 I37L29-L33 HydrophobicContact CD2-CD1 3.5Å; L29-L33 VanDerWaalsContact CD2-CD1 3.5Å; L29-L33 HydrophobicContact CD2-CG 4.33Å; L29-L33 HydrophobicContact CG-CD1 4.28Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CG 3.22Å; L29-L33 PolarHBondContact O-N 3.29Å; L33-V36 PolarHBondContact O-N 3.28Å; L33-I37 VanDerWaalsContact O-CG1 3.32Å; L33-I37 WeakPolarHBondContact O-CG1 3.42Å; L33-I37 PolarHBondContact O-N 2.89Å
34R73.8Confident74.4Confident41 Ų4193.5 Ų93.516%0.15544%0.441CS..Hα-helixtrans-64.6-42.5177.9-167.5175.9-174.1-147-14.5111.9R30 K31 H32 V36 I37 Q38 P91 D93 K111R30-R34 WeakPolarHBondContact O-CB 3.39Å; R30-R34 PolarHBondContact O-N 2.8Å; K31-R34 PolarHBondContact O-N 3.49Å; H32-R34 VanDerWaalsContact C-N 3.26Å; H32-R34 PolarHBondContact O-N 3.24Å; R34-V36 VanDerWaalsContact C-N 3.31Å; R34-V36 PolarHBondContact O-N 3.06Å; R34-I37 PolarHBondContact O-N 3Å; R34-Q38 WeakPolarHBondContact O-CB 3.44Å; R34-Q38 PolarHBondContact O-N 3.28Å; R34-P91 PolarHBondContact NH1-O 3.48Å; R34-D93 IonicContact CZ-OD1 3.36Å; R34-D93 IonicContact CZ-OD2 3.54Å; R34-D93 IonicContact NH1-OD1 2.73Å; R34-D93 PolarHBondContact NH1-OD1 2.94Å; R34-D93 IonicContact NH1-OD2 3.93Å; R34-D93 PolarHBondContact NH1-OD2 3.12Å; R34-D93 IonicContact NH2-OD1 2.65Å; R34-D93 IonicContact NH2-OD2 2.86Å; R34-D93 PolarHBondContact NH2-OD2 2.76Å; R34-K111 PolarHBondContact NH2-O 3.05Å
35T73.2Confident74Confident59 Ų5992.8 Ų92.836%0.36244%0.443SS..Hα-helixtrans-56.3-48.1171.2-54.20000110.2K31 H32 I37 Q38 Y39K31-T35 PolarHBondContact O-N 3.5Å; K31-T35 VanDerWaalsContact O-N 3.1Å; K31-T35 PolarHBondContact O-OG1 2.77Å; K31-T35 VanDerWaalsContact O-OG1 3.11Å; H32-T35 WeakPolarHBondContact O-CB 3.49Å; H32-T35 PolarHBondContact O-N 2.81Å; T35-I37 PolarHBondContact O-N 2.86Å; T35-Q38 WeakPolarHBondContact O-CB 3.21Å; T35-Q38 PolarHBondContact O-N 2.82Å; T35-Y39 HydrophobicContact CG2-CD2 3.83Å; T35-Y39 HydrophobicContact CG2-CE2 3.68Å; T35-Y39 WeakPolarHBondContact O-CD2 3.5Å; T35-Y39 PolarHBondContact O-N 3.42Å; T35-Y39 VanDerWaalsContact O-N 3.15Å
36V75.5Confident73.3Confident84 Ų8492.8 Ų92.851%0.50945%0.448SS..Hα-helixtrans-61.5-45.9178.6172.90000112.4H32 L33 R34 Q38 Y39 Q40H32-V36 WeakPolarHBondContact O-CG2 3.5Å; H32-V36 PolarHBondContact O-N 3.43Å; L33-V36 PolarHBondContact O-N 3.28Å; R34-V36 VanDerWaalsContact C-N 3.31Å; R34-V36 PolarHBondContact O-N 3.06Å; V36-Q38 VanDerWaalsContact C-N 3.32Å; V36-Q38 PolarHBondContact O-N 3.42Å; V36-Y39 CarbonylContact O-C 3.59Å; V36-Y39 WeakPolarHBondContact O-CA 3.28Å; V36-Y39 PolarHBondContact O-N 3.48Å; V36-Q40 PolarHBondContact O-N 2.8Å
37I69.1Low73.2Confident53 Ų5397 Ų9727%0.27247%0.47SS..Hα-helixtrans-62.1-41.8178.3-67.5166000110.7L33 R34 T35 Y39 Q40 P210L33-I37 VanDerWaalsContact O-CG1 3.32Å; L33-I37 WeakPolarHBondContact O-CG1 3.42Å; L33-I37 PolarHBondContact O-N 2.89Å; R34-I37 PolarHBondContact O-N 3Å; T35-I37 PolarHBondContact O-N 2.86Å; I37-Y39 PolarHBondContact O-N 2.76Å; I37-Q40 WeakPolarHBondContact O-CB 3.47Å; I37-Q40 PolarHBondContact O-N 2.91Å; I37-P210 HydrophobicContact CD1-CB 4.29Å; I37-P210 HydrophobicContact CG2-CB 4.26Å; I37-P210 WeakPolarHBondContact CG2-O 3.31Å
38Q63.6Low73.3Confident39 Ų3998 Ų9818%0.18249%0.488CS..Hα-helixtrans-58.3-31174.5-177.4-179.9-4.600112.2R34 T35 V36 D116R34-Q38 WeakPolarHBondContact O-CB 3.44Å; R34-Q38 PolarHBondContact O-N 3.28Å; T35-Q38 WeakPolarHBondContact O-CB 3.21Å; T35-Q38 PolarHBondContact O-N 2.82Å; V36-Q38 VanDerWaalsContact C-N 3.32Å; V36-Q38 PolarHBondContact O-N 3.42Å; Q38-D116 PolarHBondContact NE2-OD2 3.23Å; Q38-D116 VanDerWaalsContact NE2-OD2 3.16Å
39Y61.3Low73.4Confident180 Ų18097.2 Ų97.271%0.70648%0.484SS*.THydrogen-bonded Turntrans-97.85.7177.5-69.6-68.3000114.1T35 V36 I37 T41T35-Y39 HydrophobicContact CG2-CD2 3.83Å; T35-Y39 HydrophobicContact CG2-CE2 3.68Å; T35-Y39 WeakPolarHBondContact O-CD2 3.5Å; T35-Y39 PolarHBondContact O-N 3.42Å; T35-Y39 VanDerWaalsContact O-N 3.15Å; V36-Y39 CarbonylContact O-C 3.59Å; V36-Y39 WeakPolarHBondContact O-CA 3.28Å; V36-Y39 PolarHBondContact O-N 3.48Å; I37-Y39 PolarHBondContact O-N 2.76Å; Y39-T41 PolarHBondContact O-N 2.69Å; Y39-T41 VanDerWaalsContact O-N 3.14Å
40Q61.3Low73.8Confident113 Ų11395.5 Ų95.553%0.52848%0.48SS..SBendtrans-77.2105.6-176.6-122.8-177.1-18.100111.8V36 I37 V42V36-Q40 PolarHBondContact O-N 2.8Å; I37-Q40 WeakPolarHBondContact O-CB 3.47Å; I37-Q40 PolarHBondContact O-N 2.91Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 3.26Å
41T52.3Low74.4Confident121 Ų12195.1 Ų95.174%0.74249%0.491SS*.SBendtrans45.8-10.514920.70000124Y39 R43Y39-T41 PolarHBondContact O-N 2.69Å; Y39-T41 VanDerWaalsContact O-N 3.14Å; T41-R43 VanDerWaalsContact C-N 3.3Å; T41-R43 PolarHBondContact O-N 3.41Å
42V59.2Low75.1Confident83 Ų8395.7 Ų95.750%0.50350%0.498SS..  trans-81.789.4166.4-167.60000107.3Q40 L216Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 3.26Å; V42-L216 HydrophobicContact CB-CD2 3.32Å; V42-L216 HydrophobicContact CG1-CD2 3.24Å; V42-L216 HydrophobicContact CG1-CG 4.18Å; V42-L216 HydrophobicContact CG2-CD2 4.39Å; V42-L216 WeakPolarHBondContact O-CD2 3.19Å
43R63.2Low75.5Confident205 Ų20591.9 Ų91.977%0.77448%0.484SS*.  trans-85123174.3-70.7-172.6175.5168-0.2108.4T41 D45T41-R43 VanDerWaalsContact C-N 3.3Å; T41-R43 PolarHBondContact O-N 3.41Å; R43-D45 PolarHBondContact O-N 3.15Å
44Y70.6Confident76.1Confident41 Ų4193.9 Ų93.916%0.16149%0.486CS..  trans-83.2102.5162.5-173.2-91.7000107.2T46 W125 L219 P220 D223Y44-T46 HydrophobicContact CD1-CG2 3.96Å; Y44-T46 HydrophobicContact CE1-CG2 4.1Å; Y44-T46 PolarHBondContact O-N 3.18Å; Y44-W125 HydrophobicContact CD1-CH2 4.49Å; Y44-W125 AromaticContact CE1-CH2 3.6Å; Y44-W125 HydrophobicContact CE1-CH2 3.6Å; Y44-W125 AromaticContact CE1-CZ2 3.94Å; Y44-W125 HydrophobicContact CE1-CZ2 3.94Å; Y44-W125 AromaticContact CZ-CH2 3.87Å; Y44-L219 HydrophobicContact CD1-CB 4.36Å; Y44-L219 HydrophobicContact CD1-CD1 3.96Å; Y44-L219 HydrophobicContact CD2-CB 3.54Å; Y44-L219 HydrophobicContact CD2-CD1 3.89Å; Y44-L219 HydrophobicContact CD2-CG 4.38Å; Y44-L219 HydrophobicContact CE1-CB 4.31Å; Y44-L219 HydrophobicContact CE2-CB 3.46Å; Y44-L219 VanDerWaalsContact CE2-CB 3.46Å; Y44-L219 HydrophobicContact CG-CB 4Å; Y44-L219 HydrophobicContact CG-CD1 3.56Å; Y44-L219 HydrophobicContact CG-CG 4.46Å; Y44-P220 HydrophobicContact CD2-CG 4.43Å; Y44-P220 HydrophobicContact CE2-CB 4.32Å; Y44-P220 HydrophobicContact CE2-CG 3.79Å; Y44-D223 WeakPolarHBondContact OH-CB 3.03Å; Y44-D223 PolarHBondContact OH-OD2 3.47Å
45D75.8Confident77Confident117 Ų11797.2 Ų97.263%0.62651%0.506SS*.  trans-75.8107.9177.6-68.1-32.9000109.1R43 L47R43-D45 PolarHBondContact O-N 3.15Å; D45-L47 PolarHBondContact O-N 2.83Å
46T74.4Confident77.9Confident87 Ų87102.3 Ų102.353%0.53452%0.519SS..  trans-71.598.6173.451.70000109.2Y44Y44-T46 HydrophobicContact CD1-CG2 3.96Å; Y44-T46 HydrophobicContact CE1-CG2 4.1Å; Y44-T46 PolarHBondContact O-N 3.18Å
47L82.8Confident78.7Confident144 Ų144100 Ų10075%0.75450%0.503SS*.PPolyproline II helixtrans-73133.9174.2-63177.5000109.9D45 L49D45-L47 PolarHBondContact O-N 2.83Å; L47-L49 PolarHBondContact O-N 3.33Å
48P86.6Confident79.7Confident117 Ų117103.3 Ų103.376%0.7652%0.522SS*.PPolyproline II helixtrans-63.6135.2176.926.3-33000110.1S50P48-S50 PolarHBondContact O-N 3.15Å
49L88.8Confident81Confident44 Ų44105.5 Ų105.523%0.2355%0.547CS..PPolyproline II helixtrans-62.5134176.6-65.5-178.1000110.9L47 L57 F227L47-L49 PolarHBondContact O-N 3.33Å; L49-L57 HydrophobicContact CD1-CD2 3.8Å; L49-F227 HydrophobicContact CD1-CZ 4.09Å; L49-F227 HydrophobicContact CD2-CZ 3.75Å
50S93.3Very high82.3Confident56 Ų5698.8 Ų98.839%0.39253%0.525SS..PPolyproline II helixtrans-60.1155.8167.870.90000110.7P48 I52 S53 R54P48-S50 PolarHBondContact O-N 3.15Å; S50-I52 PolarHBondContact O-N 3.25Å; S50-S53 PolarHBondContact O-N 3.09Å; S50-S53 PolarHBondContact OG-N 2.93Å; S50-S53 PolarHBondContact OG-OG 3.3Å; S50-R54 PolarHBondContact O-N 2.95Å
51P94.9Very high83.6Confident95 Ų95100.9 Ų100.962%0.61753%0.532SS*.Hα-helixtrans-53.3-40.2177.9-27.835.3000113.1R54 N55P51-R54 PolarHBondContact O-N 3.27Å; P51-N55 PolarHBondContact O-N 3.33Å
52I94Very high85.6Confident123 Ų123102.4 Ų102.463%0.63152%0.524SS*.Hα-helixtrans-62.5-47176.5-60.6172.8000110.7S50 R54 N55 R56S50-I52 PolarHBondContact O-N 3.25Å; I52-R54 VanDerWaalsContact C-N 3.34Å; I52-R54 PolarHBondContact O-N 3.35Å; I52-N55 PolarHBondContact O-N 3.41Å; I52-R56 WeakPolarHBondContact O-CG 3.42Å; I52-R56 PolarHBondContact O-N 3.49Å
53S92.3Very high87.4Confident37 Ų3798.7 Ų98.726%0.25950%0.501SS..Hα-helixtrans-63.5-41.6179.2-54.80000111.1S50 N55 R56 L57 F227S50-S53 PolarHBondContact O-N 3.09Å; S50-S53 PolarHBondContact OG-N 2.93Å; S50-S53 PolarHBondContact OG-OG 3.3Å; S53-N55 PolarHBondContact O-N 2.83Å; S53-R56 PolarHBondContact O-N 3.3Å; S53-L57 WeakPolarHBondContact O-CB 3.34Å; S53-L57 PolarHBondContact O-N 2.93Å; S53-F227 WeakPolarHBondContact O-CE1 3.45Å
54R92.8Very high89.1Confident133 Ų13389.2 Ų89.250%0.50247%0.466SS..Hα-helixtrans-60.3-44.4175.7-169.5177.5-64.1144.73.9111.8S50 P51 I52 L57 N58S50-R54 PolarHBondContact O-N 2.95Å; P51-R54 PolarHBondContact O-N 3.27Å; I52-R54 VanDerWaalsContact C-N 3.34Å; I52-R54 PolarHBondContact O-N 3.35Å; R54-L57 PolarHBondContact O-N 3.2Å; R54-N58 PolarHBondContact O-N 3.44Å; R54-N58 PolarHBondContact O-ND2 3.19Å; R54-N58 PolarHBondContact O-OD1 3.44Å
55N93.1Very high90.5Very high111 Ų11187.2 Ų87.259%0.59446%0.458SS*.Hα-helixtrans-63-42.7176.2-71.7-10.6000112P51 I52 S53 L57 N58 A59P51-N55 PolarHBondContact O-N 3.33Å; I52-N55 PolarHBondContact O-N 3.41Å; S53-N55 PolarHBondContact O-N 2.83Å; N55-L57 VanDerWaalsContact C-N 3.33Å; N55-L57 PolarHBondContact O-N 3.34Å; N55-N58 PolarHBondContact O-N 3.31Å; N55-A59 PolarHBondContact O-N 3.07Å; N55-A59 VanDerWaalsContact O-N 3.09Å
56R90.8Very high91.6Very high165 Ų16581.7 Ų81.762%0.62343%0.428SS*.Hα-helixtrans-62.1-40.9174.9-71.218071.9174.53.4112I52 S53 A59 F227I52-R56 WeakPolarHBondContact O-CG 3.42Å; I52-R56 PolarHBondContact O-N 3.49Å; S53-R56 PolarHBondContact O-N 3.3Å; R56-A59 WeakPolarHBondContact O-CB 3.26Å; R56-A59 PolarHBondContact O-N 2.86Å; R56-F227 HydrophobicContact CB-CD1 4.45Å
57L92.1Very high92.7Very high35 Ų3577.6 Ų77.618%0.18340%0.403CS..Hα-helixtrans-66-39.7177.3-173.563.9000111.6L49 S53 R54 N55 A59 V60 R226 F227L49-L57 HydrophobicContact CD1-CD2 3.8Å; S53-L57 WeakPolarHBondContact O-CB 3.34Å; S53-L57 PolarHBondContact O-N 2.93Å; R54-L57 PolarHBondContact O-N 3.2Å; N55-L57 VanDerWaalsContact C-N 3.33Å; N55-L57 PolarHBondContact O-N 3.34Å; L57-A59 PolarHBondContact O-N 3.28Å; L57-V60 HydrophobicContact CD1-CG2 4.05Å; L57-V60 WeakPolarHBondContact O-CG2 3.2Å; L57-V60 PolarHBondContact O-N 3.47Å; L57-V60 VanDerWaalsContact O-N 3.15Å; L57-R226 HydrophobicContact CD1-CB 3.75Å; L57-F227 HydrophobicContact CB-CD1 4.26Å; L57-F227 HydrophobicContact CB-CE1 3.8Å; L57-F227 HydrophobicContact CB-CZ 4.48Å; L57-F227 HydrophobicContact CD1-CD1 4.41Å; L57-F227 HydrophobicContact CD1-CE1 4.32Å
58N90.6Very high93.5Very high123 Ų12371.1 Ų71.166%0.65837%0.369SS*.Hα-helixtrans-66.5-23.8176-69.1-13.8000112.8R54 N55 V60R54-N58 PolarHBondContact O-N 3.44Å; R54-N58 PolarHBondContact O-ND2 3.19Å; R54-N58 PolarHBondContact O-OD1 3.44Å; N55-N58 PolarHBondContact O-N 3.31Å; N58-V60 VanDerWaalsContact C-N 3.29Å
59A90.6Very high94.1Very high86 Ų8665.6 Ų65.671%0.71133%0.333SS*.THydrogen-bonded Turntrans-77.6-13.3175.500000113.3N55 R56 L57N55-A59 PolarHBondContact O-N 3.07Å; N55-A59 VanDerWaalsContact O-N 3.09Å; R56-A59 WeakPolarHBondContact O-CB 3.26Å; R56-A59 PolarHBondContact O-N 2.86Å; L57-A59 PolarHBondContact O-N 3.28Å
60V88.3Confident94.5Very high39 Ų3964.3 Ų64.324%0.23633%0.327CS..SBendtrans-112.6150.6176.8-62.90000110.7L57 N58 R226L57-V60 HydrophobicContact CD1-CG2 4.05Å; L57-V60 WeakPolarHBondContact O-CG2 3.2Å; L57-V60 PolarHBondContact O-N 3.47Å; L57-V60 VanDerWaalsContact O-N 3.15Å; N58-V60 VanDerWaalsContact C-N 3.29Å; V60-R226 WeakPolarHBondContact CG2-O 3.39Å
61K89.1Confident94.6Very high157 Ų15763.5 Ų63.568%0.68332%0.317SS*.PPolyproline II helixtrans-69.2145.1177.5-65.6-179.9-176.61740110.5K63K61-K63 PolarHBondContact O-N 3.26Å
62R94.8Very high94.8Very high152 Ų15259 Ų5957%0.57429%0.287SS*.PPolyproline II helixtrans-59.7132165.8-171.3175.8-178.1173.8-1.2108.7S123 Y126R62-S123 PolarHBondContact NH2-O 2.89Å; R62-Y126 PolarHBondContact NH2-O 3.06Å
63K97.5Very high95Very high6 Ų653.1 Ų53.13%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-93.5163.3-174-67.2174.7175.262.60111.1K61 Y126 E127 S182 L225 R226 T228 I231K61-K63 PolarHBondContact O-N 3.26Å; K63-Y126 HydrophobicContact CB-CD1 3.62Å; K63-Y126 HydrophobicContact CB-CE1 3.55Å; K63-Y126 HydrophobicContact CD-CE1 4.31Å; K63-Y126 CarbonylContact O-C 3.53Å; K63-Y126 WeakPolarHBondContact O-CA 3.36Å; K63-E127 PolarHBondContact O-N 2.95Å; K63-S182 CarbonylContact C-O 3.57Å; K63-S182 VanDerWaalsContact CA-O 3.29Å; K63-S182 WeakPolarHBondContact CA-O 3.4Å; K63-S182 VanDerWaalsContact CB-O 3.29Å; K63-S182 WeakPolarHBondContact CB-O 3.28Å; K63-L225 WeakPolarHBondContact CD-O 3.44Å; K63-L225 WeakPolarHBondContact CE-O 3.27Å; K63-L225 PolarHBondContact NZ-O 3.5Å; K63-R226 PolarHBondContact NZ-O 2.87Å; K63-T228 VanDerWaalsContact CE-O 3.22Å; K63-T228 WeakPolarHBondContact CE-O 3.35Å; K63-T228 WeakPolarHBondContact CE-OG1 3.44Å; K63-T228 PolarHBondContact NZ-O 3.2Å; K63-I231 HydrophobicContact CD-CG2 3.54Å
64I98.7Very high95.3Very high5 Ų551.4 Ų51.43%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-103.4130176.8-62.6166.9000109V66 E127 V129 V176 H177 S182 I183 V184I64-V66 HydrophobicContact CG2-CG2 4.11Å; I64-E127 CarbonylContact C-O 3.45Å; I64-E127 WeakPolarHBondContact CA-O 3.48Å; I64-E127 HydrophobicContact CG1-CB 4.18Å; I64-V129 HydrophobicContact CG2-CB 4.24Å; I64-V129 HydrophobicContact CG2-CG2 3.58Å; I64-V176 HydrophobicContact CG2-CG1 4.2Å; I64-H177 HydrophobicContact CD1-CB 3.66Å; I64-S182 PolarHBondContact N-O 3.31Å; I64-I183 HydrophobicContact CB-CG1 4.15Å; I64-I183 HydrophobicContact CG2-CD1 4.24Å; I64-I183 HydrophobicContact CG2-CG1 4.12Å; I64-I183 WeakPolarHBondContact O-CA 3.45Å; I64-V184 PolarHBondContact O-N 3.49Å
65L98.8Very high95.4Very high0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-110108.5170.2-179.162.1000108.8L67 F118 V122 Y126 E127 L128 V129 V184 L186 L222L65-L67 HydrophobicContact CD1-CD2 4.43Å; L65-L67 HydrophobicContact CD2-CD2 3.89Å; L65-L67 HydrophobicContact CG-CD2 3.79Å; L65-L67 HydrophobicContact CG-CG 4.24Å; L65-F118 HydrophobicContact CD2-CZ 4.29Å; L65-V122 HydrophobicContact CD2-CB 4.05Å; L65-V122 HydrophobicContact CD2-CG1 4.3Å; L65-V122 HydrophobicContact CD2-CG2 4.02Å; L65-Y126 HydrophobicContact CB-CD1 3.89Å; L65-Y126 HydrophobicContact CB-CD2 4.46Å; L65-Y126 HydrophobicContact CB-CG 3.78Å; L65-Y126 HydrophobicContact CD2-CD2 4.47Å; L65-E127 PolarHBondContact N-O 3.46Å; L65-L128 HydrophobicContact CB-CD2 3.98Å; L65-L128 HydrophobicContact CD2-CD2 4.16Å; L65-L128 HydrophobicContact CG-CD2 4.46Å; L65-L128 WeakPolarHBondContact O-CA 3.45Å; L65-V129 PolarHBondContact O-N 3.29Å; L65-V184 HydrophobicContact CD1-CB 4.06Å; L65-V184 HydrophobicContact CD1-CG1 4.06Å; L65-L186 HydrophobicContact CD1-CB 4.47Å; L65-L222 HydrophobicContact CD1-CD2 4.15Å; L65-L222 HydrophobicContact CD2-CD1 4.27Å; L65-L222 HydrophobicContact CD2-CD2 4.43Å
66V98.9Very high95.3Very high0 Ų040.4 Ų40.40%020%0.197CC..EExtended strand (participates in β ladder)trans-82.9126.4173.5-178.40000108.8I64 V129 F131 L173 V176 I183 V184 I185 L186I64-V66 HydrophobicContact CG2-CG2 4.11Å; V66-V129 CarbonylContact C-O 3.58Å; V66-V129 VanDerWaalsContact CA-O 3.31Å; V66-V129 WeakPolarHBondContact CA-O 3.42Å; V66-V129 HydrophobicContact CG2-CB 4.22Å; V66-V129 HydrophobicContact CG2-CG1 4.45Å; V66-F131 HydrophobicContact CG1-CB 3.34Å; V66-F131 HydrophobicContact CG1-CD1 4.2Å; V66-F131 HydrophobicContact CG1-CG 4.29Å; V66-L173 HydrophobicContact CG1-CD2 4.49Å; V66-L173 HydrophobicContact CG2-CD2 4.19Å; V66-V176 HydrophobicContact CG2-CG1 4.16Å; V66-I183 HydrophobicContact CG2-CD1 3.73Å; V66-I183 HydrophobicContact CG2-CG1 3.81Å; V66-V184 PolarHBondContact N-O 3.34Å; V66-I185 HydrophobicContact CB-CB 4.13Å; V66-I185 HydrophobicContact CB-CG1 4.17Å; V66-I185 HydrophobicContact CG1-CB 4.48Å; V66-I185 HydrophobicContact CG1-CD1 4.15Å; V66-I185 HydrophobicContact CG1-CG1 4.04Å; V66-I185 WeakPolarHBondContact O-CA 3.08Å; V66-L186 PolarHBondContact O-N 3.49Å
67L98.9Very high95.2Very high1 Ų134.5 Ų34.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-117.8122.6-174.8-61.9171.5000109.7L65 L73 F118 L119 L128 V129 F131 L153 L186L65-L67 HydrophobicContact CD1-CD2 4.43Å; L65-L67 HydrophobicContact CD2-CD2 3.89Å; L65-L67 HydrophobicContact CG-CD2 3.79Å; L65-L67 HydrophobicContact CG-CG 4.24Å; L67-L73 HydrophobicContact CB-CD1 4.19Å; L67-L73 HydrophobicContact CD1-CD1 4.33Å; L67-F118 HydrophobicContact CD2-CE1 4.01Å; L67-F118 HydrophobicContact CD2-CZ 4.43Å; L67-L119 HydrophobicContact CD1-CD2 3.64Å; L67-L128 HydrophobicContact CD1-CB 4.4Å; L67-L128 HydrophobicContact CD1-CD1 4.31Å; L67-L128 HydrophobicContact CD1-CD2 4.39Å; L67-V129 PolarHBondContact N-O 3.08Å; L67-F131 PolarHBondContact O-N 3.01Å; L67-L153 HydrophobicContact CD1-CD2 4.35Å; L67-L186 HydrophobicContact CD2-CB 4.16Å; L67-L186 HydrophobicContact CD2-CD2 3.98Å
68D98.8Very high94.9Very high9 Ų935.9 Ų35.95%0.04818%0.182CC..  trans-72.1164.3161.4-176.354.6000111.6T72 L73 K171 L186 D187 N188D68-T72 HydrophobicContact CB-CG2 4.18Å; D68-T72 PolarHBondContact OD2-OG1 3.02Å; D68-L73 WeakPolarHBondContact O-CG 3.15Å; D68-K171 VanDerWaalsContact CG-NZ 3.26Å; D68-K171 IonicContact OD1-NZ 3.73Å; D68-K171 PolarHBondContact OD1-NZ 3.04Å; D68-L186 PolarHBondContact N-O 2.79Å; D68-L186 VanDerWaalsContact N-O 3.08Å; D68-D187 HydrophobicContact CB-CB 4.17Å; D68-N188 PolarHBondContact OD2-OD1 3.05Å
69L98.5Very high94.1Very high0 Ų033 Ų330%017%0.166CC..  trans-107.8-71.4-177.3-64-175.8000112.6T72 L73 I74 V130 T132 V142 L146L69-T72 PolarHBondContact O-N 2.98Å; L69-L73 HydrophobicContact CD2-CD1 4.2Å; L69-L73 PolarHBondContact O-N 3.27Å; L69-I74 WeakPolarHBondContact O-CG1 3.35Å; L69-I74 PolarHBondContact O-N 3.11Å; L69-I74 VanDerWaalsContact O-N 3.08Å; L69-V130 HydrophobicContact CD1-CG1 3.87Å; L69-V130 HydrophobicContact CD2-CG1 3.93Å; L69-V130 HydrophobicContact CD2-CG2 4.47Å; L69-V130 HydrophobicContact CG-CG1 3.82Å; L69-T132 HydrophobicContact CD1-CG2 3.97Å; L69-T132 HydrophobicContact CG-CG2 4.42Å; L69-V142 HydrophobicContact CD1-CB 4.22Å; L69-V142 HydrophobicContact CD1-CG1 4.09Å; L69-V142 HydrophobicContact CD2-CG1 4.5Å; L69-L146 HydrophobicContact CD2-CD1 4.22Å
70D97.3Very high92.8Very high18 Ų1833 Ų3310%0.09618%0.176CC..BIsolated β-bridgetrans-70.3133.6-171.3-61-71.3000110.9T72 S134 Y138D70-T72 PolarHBondContact O-N 3.47Å; D70-S134 PolarHBondContact OD2-OG 3.27Å; D70-Y138 WeakPolarHBondContact OD1-CE1 3.29Å; D70-Y138 PolarHBondContact OD1-OH 2.82Å; D70-Y138 WeakPolarHBondContact OD2-CE1 3.45Å
71E97.1Very high91.5Very high38 Ų3834 Ų3418%0.17818%0.181CC..THydrogen-bonded Turntrans59.6-2.8-171.8-6971.2-134.900115.6I74 H75 N188 S205 W206 F207E71-I74 WeakPolarHBondContact CA-O 3.37Å; E71-I74 PolarHBondContact N-O 2.89Å; E71-H75 IonicContact OE1-CE1 3.18Å; E71-H75 PolarHBondContact OE1-CE1 2.85Å; E71-H75 IonicContact OE1-CG 3.39Å; E71-H75 IonicContact OE1-ND1 2.6Å; E71-H75 PolarHBondContact OE1-ND1 3.38Å; E71-N188 WeakPolarHBondContact CB-ND2 3.29Å; E71-S205 WeakPolarHBondContact O-CA 2.81Å; E71-W206 PolarHBondContact O-N 3.34Å; E71-F207 HydrophobicContact CG-CD1 4.02Å; E71-F207 HydrophobicContact CG-CE1 3.44Å; E71-F207 VanDerWaalsContact CG-CE1 3.44Å; E71-F207 HydrophobicContact CG-CZ 3.89Å
72T98.4Very high89.9Confident0 Ų035 Ų350%019%0.193CC..THydrogen-bonded Turntrans-102.2-62.1175.6-65.30000112.1D68 L69 D70 R112 L186 N188 I203D68-T72 HydrophobicContact CB-CG2 4.18Å; D68-T72 PolarHBondContact OD2-OG1 3.02Å; L69-T72 PolarHBondContact O-N 2.98Å; D70-T72 PolarHBondContact O-N 3.47Å; T72-R112 WeakPolarHBondContact O-CD 3.29Å; T72-R112 PolarHBondContact O-NH1 3.41Å; T72-L186 HydrophobicContact CG2-CD2 4.41Å; T72-L186 HydrophobicContact CG2-CG 4.13Å; T72-N188 PolarHBondContact OG1-N 3.49Å; T72-N188 PolarHBondContact OG1-OD1 2.88Å; T72-N188 VanDerWaalsContact OG1-OD1 3.14Å; T72-I203 HydrophobicContact CG2-CG2 4.06Å
73L98.4Very high88.1Confident1 Ų133.2 Ų33.21%0.00519%0.187CC..THydrogen-bonded Turntrans-103.6-25.9179.5-62.2-173.9000112.9L67 D68 L69 R112 V115 F118 L119 L146 L215L67-L73 HydrophobicContact CB-CD1 4.19Å; L67-L73 HydrophobicContact CD1-CD1 4.33Å; D68-L73 WeakPolarHBondContact O-CG 3.15Å; L69-L73 HydrophobicContact CD2-CD1 4.2Å; L69-L73 PolarHBondContact O-N 3.27Å; L73-R112 WeakPolarHBondContact O-CB 3.42Å; L73-R112 PolarHBondContact O-N 3.29Å; L73-V115 HydrophobicContact CB-CG2 3.93Å; L73-V115 HydrophobicContact CD2-CG2 4.07Å; L73-V115 HydrophobicContact CG-CG2 4.4Å; L73-F118 HydrophobicContact CD2-CE1 4.41Å; L73-L119 HydrophobicContact CD1-CD2 4.45Å; L73-L146 HydrophobicContact CB-CD1 4.32Å; L73-L146 HydrophobicContact CD1-CD1 4.22Å; L73-L215 HydrophobicContact CD2-CD1 4.13Å; L73-L215 HydrophobicContact CD2-CD2 3.94Å
74I97.5Very high86.3Confident0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-141.4168.5-177.858.1134.6000110.3L69 E71 V109 H110 Y138 V142 L146L69-I74 WeakPolarHBondContact O-CG1 3.35Å; L69-I74 PolarHBondContact O-N 3.11Å; L69-I74 VanDerWaalsContact O-N 3.08Å; E71-I74 WeakPolarHBondContact CA-O 3.37Å; E71-I74 PolarHBondContact N-O 2.89Å; I74-V109 HydrophobicContact CB-CG1 3.9Å; I74-V109 HydrophobicContact CD1-CG1 3.68Å; I74-V109 HydrophobicContact CG1-CG1 4.4Å; I74-V109 HydrophobicContact CG2-CG1 4.01Å; I74-H110 CarbonylContact C-O 3.57Å; I74-H110 WeakPolarHBondContact CA-O 3.36Å; I74-H110 WeakPolarHBondContact CB-O 3.24Å; I74-Y138 WeakPolarHBondContact CD1-OH 3.43Å; I74-V142 HydrophobicContact CD1-CG1 3.72Å; I74-V142 HydrophobicContact CD1-CG2 4.1Å; I74-V142 HydrophobicContact CG1-CG1 4.11Å; I74-V142 HydrophobicContact CG2-CG1 4.42Å; I74-L146 HydrophobicContact CG2-CD1 4.08Å; I74-L146 HydrophobicContact CG2-CD2 4.04Å; I74-L146 HydrophobicContact CG2-CG 4.47Å
75H94.9Very high84.6Confident0 Ų041.4 Ų41.40%024%0.24CC..EExtended strand (participates in β ladder)trans-131137162.6177.557.2000108.4E71 T85 H110 W206 F207E71-H75 IonicContact OE1-CE1 3.18Å; E71-H75 PolarHBondContact OE1-CE1 2.85Å; E71-H75 IonicContact OE1-CG 3.39Å; E71-H75 IonicContact OE1-ND1 2.6Å; E71-H75 PolarHBondContact OE1-ND1 3.38Å; H75-T85 PolarHBondContact NE2-OG1 2.87Å; H75-H110 PolarHBondContact N-O 2.95Å; H75-H110 PolarHBondContact O-N 3.32Å; H75-W206 HydrophobicContact CB-CE3 3.78Å; H75-W206 HydrophobicContact CB-CZ3 3.63Å; H75-F207 WeakPolarHBondContact CB-O 3.37Å; H75-F207 PolarHBondContact CD2-O 2.9Å; H75-F207 AromaticContact CE1-CD1 3.61Å; H75-F207 AromaticContact ND1-CD1 3.67Å
76S92.4Very high82.9Confident13 Ų1342.1 Ų42.19%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-131.5155.1-179.678.30000112.1F108 Y138S76-F108 WeakPolarHBondContact CA-O 3.05Å; S76-Y138 WeakPolarHBondContact CB-OH 3.33Å; S76-Y138 PolarHBondContact OG-OH 3.2Å
77H88.6Confident81.4Confident42 Ų4250.8 Ų50.819%0.19428%0.277CS..EExtended strand (participates in β ladder)trans-141.5156.916659.4-88.4000109.1R83 F107 F108 H110H77-R83 HydrophobicContact CB-CG 4.48Å; H77-F107 CarbonylContact O-C 3.17Å; H77-F107 WeakPolarHBondContact O-CA 3.36Å; H77-F108 AromaticContact CD2-CD2 3.88Å; H77-F108 PolarHBondContact N-O 3.03Å; H77-F108 AromaticContact NE2-CD2 3.87Å; H77-F108 AromaticContact NE2-CG 3.84Å; H77-F108 PolarHBondContact O-N 3.25Å; H77-H110 AromaticContact CE1-CE1 3.67Å
78H85Confident79.8Confident64 Ų6456.5 Ų56.530%0.29631%0.314SS..EExtended strand (participates in β ladder)trans-114.6162.2179.855.4-87.6000112.2G80 V81 V105 R106 F107H78-G80 PolarHBondContact O-N 2.71Å; H78-V81 VanDerWaalsContact NE2-CG2 3.31Å; H78-V81 WeakPolarHBondContact NE2-CG2 3.19Å; H78-V81 PolarHBondContact O-N 2.71Å; H78-V105 HydrophobicContact CB-CG1 3.7Å; H78-R106 WeakPolarHBondContact CA-O 3.45Å; H78-R106 WeakPolarHBondContact CB-O 3.49Å; H78-F107 HydrophobicContact CB-CD1 3.97Å; H78-F107 HydrophobicContact CB-CE1 3.91Å; H78-F107 HydrophobicContact CB-CG 4.35Å; H78-F107 HydrophobicContact CB-CZ 4.23Å
79D74.4Confident78.3Confident61 Ų6158.6 Ų58.633%0.32634%0.337SS..THydrogen-bonded Turntrans-48.2133.9175.4-73.6-45.4000111.3R106 F108D79-R106 VanDerWaalsContact CG-NH2 3.33Å; D79-R106 PolarHBondContact N-O 2.99Å; D79-R106 IonicContact OD1-CZ 3.97Å; D79-R106 IonicContact OD1-NE 3.08Å; D79-R106 PolarHBondContact OD1-NE 3.37Å; D79-R106 IonicContact OD1-NH2 3.42Å; D79-R106 PolarHBondContact OD1-NH2 3.31Å; D79-R106 VanDerWaalsContact OD2-CB 3.27Å; D79-R106 WeakPolarHBondContact OD2-CB 3.4Å; D79-R106 WeakPolarHBondContact OD2-CG 3.36Å; D79-R106 IonicContact OD2-CZ 3.53Å; D79-R106 IonicContact OD2-NE 3.46Å; D79-R106 PolarHBondContact OD2-NE 2.69Å; D79-R106 IonicContact OD2-NH2 2.82Å; D79-R106 PolarHBondContact OD2-NH2 2.64Å; D79-F108 WeakPolarHBondContact OD1-CE2 3.41Å
80G62.4Low77.2Confident88 Ų8860.7 Ų60.791%0.90735%0.351SS*.THydrogen-bonded Turntrans92.8-9.7174.600000115.8H78H78-G80 PolarHBondContact O-N 2.71Å
81V61.8Low76.5Confident58 Ų5860.2 Ų60.235%0.35235%0.348SS..  trans-109103.7173.2-173.20000109.8H78 R83H78-V81 VanDerWaalsContact NE2-CG2 3.31Å; H78-V81 WeakPolarHBondContact NE2-CG2 3.19Å; H78-V81 PolarHBondContact O-N 2.71Å; V81-R83 VanDerWaalsContact C-N 3.35Å; V81-R83 HydrophobicContact CG1-CG 3.69Å; V81-R83 PolarHBondContact O-N 3.14Å
82L54Low76.2Confident179 Ų17960.1 Ų60.194%0.93735%0.351SS*.  trans-66.995165.6-84.4155.6000108.2P84L82-P84 WeakPolarHBondContact O-CD 3.46Å
83R58.5Low75.9Confident115 Ų11563 Ų6343%0.43437%0.366SS..  trans-90.4115.2166.6-65.3-162.3175.9-155.6-0.1108.5H77 V81 T85H77-R83 HydrophobicContact CB-CG 4.48Å; V81-R83 VanDerWaalsContact C-N 3.35Å; V81-R83 HydrophobicContact CG1-CG 3.69Å; V81-R83 PolarHBondContact O-N 3.14Å; R83-T85 PolarHBondContact O-N 3.42Å
84P58.5Low75.7Confident128 Ų12864.4 Ų64.483%0.83137%0.372SS*.THydrogen-bonded Turntrans-68.3-1.4175.726.6-32.1000113L82 V86L82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-V86 VanDerWaalsContact C-N 3.31Å; P84-V86 PolarHBondContact O-N 2.96Å
85T63.4Low75.5Confident54 Ų5468.3 Ų68.333%0.33139%0.393SS..THydrogen-bonded Turntrans-72.7-19.6-175.155.30000113.8H75 R83 F207 S208H75-T85 PolarHBondContact NE2-OG1 2.87Å; R83-T85 PolarHBondContact O-N 3.42Å; T85-F207 HydrophobicContact CG2-CD1 4.47Å; T85-S208 VanDerWaalsContact O-CB 3.24Å; T85-S208 WeakPolarHBondContact O-CB 3.37Å; T85-S208 PolarHBondContact O-OG 2.83Å
86V63.9Low75.5Confident15 Ų1568.8 Ų68.89%0.09140%0.395CS..SBendtrans-107.8127.6173.8-1770000109.1P84 T90P84-V86 VanDerWaalsContact C-N 3.31Å; P84-V86 PolarHBondContact O-N 2.96Å; V86-T90 HydrophobicContact CG1-CG2 4.43Å
87R67.1Low75.6Confident182 Ų18276.4 Ų76.469%0.68743%0.427SS*.  trans-53125.8176.7-69.6-175.6-179-175.51.2110G89 T90R87-G89 PolarHBondContact O-N 3.08Å; R87-T90 WeakPolarHBondContact O-CB 3.38Å; R87-T90 PolarHBondContact O-N 2.99Å; R87-T90 PolarHBondContact O-OG1 2.87Å
88P64.2Low75.7Confident122 Ų12275 Ų7579%0.79242%0.421SS*.THydrogen-bonded Turntrans-51.6127.4-178.3-29.935.2000113.1R30R30-P88 PolarHBondContact NH1-O 2.9Å
89G67.7Low75.8Confident52 Ų5276 Ų7654%0.53643%0.432SS..THydrogen-bonded Turntrans78.617.7-17900000115R30 R87R30-G89 PolarHBondContact NH1-O 2.89Å; R87-G89 PolarHBondContact O-N 3.08Å
90T75.3Confident76.3Confident45 Ų4576.1 Ų76.128%0.27643%0.431SS..PPolyproline II helixtrans-71.9125.5161.3-55.60000108.6V86 R87V86-T90 HydrophobicContact CG1-CG2 4.43Å; R87-T90 WeakPolarHBondContact O-CB 3.38Å; R87-T90 PolarHBondContact O-N 2.99Å; R87-T90 PolarHBondContact O-OG1 2.87Å
91P83.3Confident77.4Confident8 Ų878.7 Ų78.75%0.05242%0.424CS..PPolyproline II helixtrans-72.1139.7177.927.6-33.4000111.8Y27 K31 R34Y27-P91 HydrophobicContact CD2-CB 4.05Å; Y27-P91 HydrophobicContact CE2-CB 3.44Å; Y27-P91 VanDerWaalsContact CE2-CB 3.44Å; Y27-P91 HydrophobicContact CE2-CG 4.35Å; K31-P91 HydrophobicContact CB-CG 4.15Å; R34-P91 PolarHBondContact NH1-O 3.48Å
92P90.2Very high78.6Confident35 Ų3585.1 Ų85.123%0.22745%0.448CS..PPolyproline II helixtrans-66.7153.3169.333.6-39.4000110.6I95 F108P92-I95 HydrophobicContact CB-CG1 4.42Å; P92-I95 HydrophobicContact CG-CD1 4.18Å; P92-I95 HydrophobicContact CG-CG1 3.83Å; P92-F108 HydrophobicContact CB-CB 4.15Å; P92-F108 HydrophobicContact CG-CD1 4.1Å
93D91.8Very high80.2Confident61 Ų6182.8 Ų82.833%0.32643%0.432SS..SBendtrans-75.1-36.6172.5-62.4-72.4000111.1R34 V109 H110 K111R34-D93 IonicContact CZ-OD1 3.36Å; R34-D93 IonicContact CZ-OD2 3.54Å; R34-D93 IonicContact NH1-OD1 2.73Å; R34-D93 PolarHBondContact NH1-OD1 2.94Å; R34-D93 IonicContact NH1-OD2 3.93Å; R34-D93 PolarHBondContact NH1-OD2 3.12Å; R34-D93 IonicContact NH2-OD1 2.65Å; R34-D93 IonicContact NH2-OD2 2.86Å; R34-D93 PolarHBondContact NH2-OD2 2.76Å; D93-V109 PolarHBondContact N-O 2.65Å; D93-H110 VanDerWaalsContact OD2-CA 3.26Å; D93-H110 WeakPolarHBondContact OD2-CA 3.26Å; D93-K111 HydrophobicContact CB-CB 4.48Å; D93-K111 HydrophobicContact CB-CD 3.8Å; D93-K111 HydrophobicContact CB-CG 3.85Å; D93-K111 PolarHBondContact OD2-N 3.13Å
94F94.4Very high81.6Confident30 Ų3082.4 Ų82.413%0.13244%0.444CS..EExtended strand (participates in β ladder)trans-152.4156.8171.253.9-90.8000111.3L96 V109 K111 K145F94-L96 HydrophobicContact CD2-CD2 3.92Å; F94-L96 HydrophobicContact CD2-CG 3.93Å; F94-L96 HydrophobicContact CE2-CD1 4.09Å; F94-L96 HydrophobicContact CE2-CD2 4.14Å; F94-L96 HydrophobicContact CE2-CG 3.99Å; F94-V109 HydrophobicContact CD2-CB 3.76Å; F94-V109 HydrophobicContact CD2-CG1 4.33Å; F94-V109 HydrophobicContact CD2-CG2 4.01Å; F94-V109 HydrophobicContact CE1-CB 4.32Å; F94-V109 HydrophobicContact CE1-CG1 4.01Å; F94-V109 HydrophobicContact CE2-CB 3.43Å; F94-V109 VanDerWaalsContact CE2-CB 3.43Å; F94-V109 HydrophobicContact CE2-CG1 3.55Å; F94-V109 HydrophobicContact CE2-CG2 3.63Å; F94-V109 HydrophobicContact CG-CB 4.35Å; F94-V109 HydrophobicContact CZ-CB 3.75Å; F94-V109 HydrophobicContact CZ-CG1 3.36Å; F94-V109 HydrophobicContact CZ-CG2 4.34Å; F94-V109 PolarHBondContact N-O 3.49Å; F94-V109 PolarHBondContact O-N 3.13Å; F94-K111 HydrophobicContact CD1-CD 4.42Å; F94-K111 HydrophobicContact CE1-CD 4.07Å; F94-K111 HydrophobicContact CE1-CG 3.89Å; F94-K145 HydrophobicContact CD1-CB 4.29Å; F94-K145 HydrophobicContact CD2-CB 4.06Å; F94-K145 HydrophobicContact CD2-CG 3.8Å; F94-K145 HydrophobicContact CE1-CB 4.01Å; F94-K145 HydrophobicContact CE2-CB 3.75Å; F94-K145 HydrophobicContact CE2-CG 3.85Å; F94-K145 HydrophobicContact CG-CB 4.31Å; F94-K145 HydrophobicContact CG-CG 4.23Å; F94-K145 HydrophobicContact CZ-CB 3.72Å; F94-K145 HydrophobicContact CZ-CG 4.34Å
95I94.1Very high83.2Confident83 Ų8377.8 Ų77.843%0.42641%0.413SS..EExtended strand (participates in β ladder)trans-113.5125.1176.3-58.6173.2000107.8P92 R106 F107 F108P92-I95 HydrophobicContact CB-CG1 4.42Å; P92-I95 HydrophobicContact CG-CD1 4.18Å; P92-I95 HydrophobicContact CG-CG1 3.83Å; I95-R106 HydrophobicContact CG2-CB 4.25Å; I95-F107 CarbonylContact C-O 3.57Å; I95-F107 VanDerWaalsContact CA-O 3.31Å; I95-F107 WeakPolarHBondContact CA-O 3.27Å; I95-F108 HydrophobicContact CD1-CD1 4.06Å; I95-F108 HydrophobicContact CD1-CE1 3.95Å; I95-F108 HydrophobicContact CG1-CD1 4.02Å; I95-F108 HydrophobicContact CG1-CE1 4.36Å
96L94.9Very high84.5Confident10 Ų1080.7 Ų80.75%0.05242%0.418CS..EExtended strand (participates in β ladder)trans-97.5139.1172-59.9178.6000109.5F94 R106 F107 V109 Y138 A141 V142 K145F94-L96 HydrophobicContact CD2-CD2 3.92Å; F94-L96 HydrophobicContact CD2-CG 3.93Å; F94-L96 HydrophobicContact CE2-CD1 4.09Å; F94-L96 HydrophobicContact CE2-CD2 4.14Å; F94-L96 HydrophobicContact CE2-CG 3.99Å; L96-R106 CarbonylContact O-C 3.59Å; L96-R106 VanDerWaalsContact O-CA 3.27Å; L96-R106 WeakPolarHBondContact O-CA 3.48Å; L96-F107 HydrophobicContact CB-CB 4.27Å; L96-F107 PolarHBondContact N-O 3.36Å; L96-F107 PolarHBondContact O-N 2.87Å; L96-V109 HydrophobicContact CD1-CG2 4.13Å; L96-V109 HydrophobicContact CG-CG2 4.23Å; L96-Y138 HydrophobicContact CD1-CD2 4.42Å; L96-Y138 HydrophobicContact CD1-CE2 4.35Å; L96-A141 HydrophobicContact CD1-CB 3.93Å; L96-A141 HydrophobicContact CD2-CB 4.14Å; L96-V142 HydrophobicContact CD1-CB 4.34Å; L96-V142 HydrophobicContact CD1-CG2 3.42Å; L96-V142 VanDerWaalsContact CD1-CG2 3.42Å; L96-K145 HydrophobicContact CD2-CG 3.85Å
97K93.4Very high85.9Confident173 Ų17381 Ų8175%0.75242%0.418SS*.EExtended strand (participates in β ladder)trans-116.5111.5172.5-59.6-175.4179.4175.80107R106K97-R106 HydrophobicContact CG-CG 4.26Å
98V90.8Very high87.1Confident11 Ų1174.3 Ų74.37%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-124.3151179.6-61.30000109.2I100 V105 F107 I137V98-I100 HydrophobicContact CG2-CD1 4.2Å; V98-I100 HydrophobicContact CG2-CG1 4.18Å; V98-V105 HydrophobicContact CG2-CB 4.48Å; V98-V105 PolarHBondContact N-O 2.86Å; V98-V105 PolarHBondContact O-N 3.12Å; V98-F107 HydrophobicContact CG2-CD2 3.68Å; V98-F107 HydrophobicContact CG2-CE2 3.31Å; V98-F107 HydrophobicContact CG2-CZ 4.45Å; V98-I137 HydrophobicContact CB-CD1 4.4Å; V98-I137 HydrophobicContact CB-CG1 4.2Å; V98-I137 HydrophobicContact CG1-CG1 4.38Å
99V88.3Confident88.5Confident87 Ų8768.5 Ų68.553%0.52736%0.357SS..EExtended strand (participates in β ladder)trans-104.5111.9178.9-179.60000108.3H103 I137V99-H103 WeakPolarHBondContact CA-O 3.31Å; V99-I137 WeakPolarHBondContact O-CD1 3.38Å
100I85.1Confident89.7Confident63 Ų6366.2 Ų66.232%0.32333%0.332SS..EExtended strand (participates in β ladder)trans-109.5122177.6-58173.5000106.8V98 K102 H103 V105 F107V98-I100 HydrophobicContact CG2-CD1 4.2Å; V98-I100 HydrophobicContact CG2-CG1 4.18Å; I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.03Å; I100-H103 PolarHBondContact N-O 3.49Å; I100-H103 WeakPolarHBondContact O-CA 3.26Å; I100-H103 WeakPolarHBondContact O-CB 3.25Å; I100-H103 PolarHBondContact O-N 2.91Å; I100-V105 HydrophobicContact CB-CG2 4.32Å; I100-V105 HydrophobicContact CD1-CB 4.37Å; I100-V105 HydrophobicContact CD1-CG2 4.16Å; I100-V105 HydrophobicContact CG1-CG2 4.39Å; I100-F107 HydrophobicContact CD1-CE2 4.19Å; I100-F107 HydrophobicContact CD1-CZ 4.14Å
101D85.7Confident90.7Very high142 Ų14265.6 Ų65.676%0.75933%0.325SS*.THydrogen-bonded Turntrans48.246.7-179.9-57.6-34.2000113.5H103D101-H103 PolarHBondContact O-N 2.94Å; D101-H103 PolarHBondContact O-ND1 3.02Å
102K87.1Confident91.3Very high193 Ų19365.2 Ų65.284%0.83932%0.323SS*.THydrogen-bonded Turntrans67.62.8-177.3-51175.9-178.9176.30115.7I100I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.03Å
103H86.3Confident91.4Very high130 Ų13064 Ų6460%0.60232%0.315SS*.EExtended strand (participates in β ladder)trans-102.2125176.9-63.882.3000110.4V99 I100 D101 V105V99-H103 WeakPolarHBondContact CA-O 3.31Å; I100-H103 PolarHBondContact N-O 3.49Å; I100-H103 WeakPolarHBondContact O-CA 3.26Å; I100-H103 WeakPolarHBondContact O-CB 3.25Å; I100-H103 PolarHBondContact O-N 2.91Å; D101-H103 PolarHBondContact O-N 2.94Å; D101-H103 PolarHBondContact O-ND1 3.02Å; H103-V105 PolarHBondContact O-N 3.36Å
104P88.7Confident91.4Very high107 Ų10762 Ų6270%0.69530%0.304SS*.EExtended strand (participates in β ladder)trans-71.5122.5174.628.8-32.3000109.8
105V90.8Very high91.5Very high30 Ų3060.6 Ų60.618%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-115130.4177-175.10000108.8H78 V98 I100 H103 F107H78-V105 HydrophobicContact CB-CG1 3.7Å; V98-V105 HydrophobicContact CG2-CB 4.48Å; V98-V105 PolarHBondContact N-O 2.86Å; V98-V105 PolarHBondContact O-N 3.12Å; I100-V105 HydrophobicContact CB-CG2 4.32Å; I100-V105 HydrophobicContact CD1-CB 4.37Å; I100-V105 HydrophobicContact CD1-CG2 4.16Å; I100-V105 HydrophobicContact CG1-CG2 4.39Å; H103-V105 PolarHBondContact O-N 3.36Å; V105-F107 HydrophobicContact CB-CE2 3.98Å; V105-F107 HydrophobicContact CG1-CD2 4.1Å; V105-F107 HydrophobicContact CG1-CE2 3.52Å; V105-F107 HydrophobicContact CG1-CZ 3.95Å
106R92.2Very high91.5Very high115 Ų11558.8 Ų58.843%0.43429%0.289SS..EExtended strand (participates in β ladder)trans-97.4131.5172.4-55.5-178.7-68.4-174.71.8109.9H78 D79 I95 L96 K97 F108H78-R106 WeakPolarHBondContact CA-O 3.45Å; H78-R106 WeakPolarHBondContact CB-O 3.49Å; D79-R106 VanDerWaalsContact CG-NH2 3.33Å; D79-R106 PolarHBondContact N-O 2.99Å; D79-R106 IonicContact OD1-CZ 3.97Å; D79-R106 IonicContact OD1-NE 3.08Å; D79-R106 PolarHBondContact OD1-NE 3.37Å; D79-R106 IonicContact OD1-NH2 3.42Å; D79-R106 PolarHBondContact OD1-NH2 3.31Å; D79-R106 VanDerWaalsContact OD2-CB 3.27Å; D79-R106 WeakPolarHBondContact OD2-CB 3.4Å; D79-R106 WeakPolarHBondContact OD2-CG 3.36Å; D79-R106 IonicContact OD2-CZ 3.53Å; D79-R106 IonicContact OD2-NE 3.46Å; D79-R106 PolarHBondContact OD2-NE 2.69Å; D79-R106 IonicContact OD2-NH2 2.82Å; D79-R106 PolarHBondContact OD2-NH2 2.64Å; I95-R106 HydrophobicContact CG2-CB 4.25Å; L96-R106 CarbonylContact O-C 3.59Å; L96-R106 VanDerWaalsContact O-CA 3.27Å; L96-R106 WeakPolarHBondContact O-CA 3.48Å; K97-R106 HydrophobicContact CG-CG 4.26Å; R106-F108 HydrophobicContact CB-CE2 4.4Å
107F92.8Very high91.4Very high22 Ų2261.7 Ų61.710%0.09630%0.301CS..EExtended strand (participates in β ladder)trans-108.8125.7171.8-68.3-99.4000109.4H77 H78 I95 L96 V98 I100 V105 V109 Y138H77-F107 CarbonylContact O-C 3.17Å; H77-F107 WeakPolarHBondContact O-CA 3.36Å; H78-F107 HydrophobicContact CB-CD1 3.97Å; H78-F107 HydrophobicContact CB-CE1 3.91Å; H78-F107 HydrophobicContact CB-CG 4.35Å; H78-F107 HydrophobicContact CB-CZ 4.23Å; I95-F107 CarbonylContact C-O 3.57Å; I95-F107 VanDerWaalsContact CA-O 3.31Å; I95-F107 WeakPolarHBondContact CA-O 3.27Å; L96-F107 HydrophobicContact CB-CB 4.27Å; L96-F107 PolarHBondContact N-O 3.36Å; L96-F107 PolarHBondContact O-N 2.87Å; V98-F107 HydrophobicContact CG2-CD2 3.68Å; V98-F107 HydrophobicContact CG2-CE2 3.31Å; V98-F107 HydrophobicContact CG2-CZ 4.45Å; I100-F107 HydrophobicContact CD1-CE2 4.19Å; I100-F107 HydrophobicContact CD1-CZ 4.14Å; V105-F107 HydrophobicContact CB-CE2 3.98Å; V105-F107 HydrophobicContact CG1-CD2 4.1Å; V105-F107 HydrophobicContact CG1-CE2 3.52Å; V105-F107 HydrophobicContact CG1-CZ 3.95Å; F107-V109 HydrophobicContact CB-CG2 4.28Å; F107-Y138 HydrophobicContact CB-CD2 4.41Å; F107-Y138 HydrophobicContact CB-CE2 4.07Å; F107-Y138 AromaticContact CD1-CD2 3.76Å; F107-Y138 HydrophobicContact CD1-CD2 3.76Å; F107-Y138 AromaticContact CD1-CE2 3.56Å; F107-Y138 HydrophobicContact CD1-CE2 3.56Å; F107-Y138 HydrophobicContact CD2-CD2 4.05Å; F107-Y138 HydrophobicContact CD2-CE2 4.48Å; F107-Y138 AromaticContact CE1-CD2 3.96Å; F107-Y138 HydrophobicContact CE1-CD2 3.96Å; F107-Y138 HydrophobicContact CE1-CE2 4.09Å; F107-Y138 HydrophobicContact CE2-CD2 4.26Å; F107-Y138 AromaticContact CG-CD2 3.8Å; F107-Y138 HydrophobicContact CG-CD2 3.8Å; F107-Y138 AromaticContact CG-CE2 3.78Å; F107-Y138 HydrophobicContact CG-CE2 3.78Å; F107-Y138 HydrophobicContact CZ-CD2 4.21Å
108F92.4Very high91.6Very high42 Ų4253.4 Ų53.418%0.18427%0.265CS..EExtended strand (participates in β ladder)trans-94.5104.3174.9-59.8-91.3000108S76 H77 D79 P92 I95 R106S76-F108 WeakPolarHBondContact CA-O 3.05Å; H77-F108 AromaticContact CD2-CD2 3.88Å; H77-F108 PolarHBondContact N-O 3.03Å; H77-F108 AromaticContact NE2-CD2 3.87Å; H77-F108 AromaticContact NE2-CG 3.84Å; H77-F108 PolarHBondContact O-N 3.25Å; D79-F108 WeakPolarHBondContact OD1-CE2 3.41Å; P92-F108 HydrophobicContact CB-CB 4.15Å; P92-F108 HydrophobicContact CG-CD1 4.1Å; I95-F108 HydrophobicContact CD1-CD1 4.06Å; I95-F108 HydrophobicContact CD1-CE1 3.95Å; I95-F108 HydrophobicContact CG1-CD1 4.02Å; I95-F108 HydrophobicContact CG1-CE1 4.36Å; R106-F108 HydrophobicContact CB-CE2 4.4Å
109V93.7Very high91.9Very high0 Ų052.9 Ų52.90%026%0.262CS..EExtended strand (participates in β ladder)trans-102131.2-171-172.70000110.4I74 D93 F94 L96 F107I74-V109 HydrophobicContact CB-CG1 3.9Å; I74-V109 HydrophobicContact CD1-CG1 3.68Å; I74-V109 HydrophobicContact CG1-CG1 4.4Å; I74-V109 HydrophobicContact CG2-CG1 4.01Å; D93-V109 PolarHBondContact N-O 2.65Å; F94-V109 HydrophobicContact CD2-CB 3.76Å; F94-V109 HydrophobicContact CD2-CG1 4.33Å; F94-V109 HydrophobicContact CD2-CG2 4.01Å; F94-V109 HydrophobicContact CE1-CB 4.32Å; F94-V109 HydrophobicContact CE1-CG1 4.01Å; F94-V109 HydrophobicContact CE2-CB 3.43Å; F94-V109 VanDerWaalsContact CE2-CB 3.43Å; F94-V109 HydrophobicContact CE2-CG1 3.55Å; F94-V109 HydrophobicContact CE2-CG2 3.63Å; F94-V109 HydrophobicContact CG-CB 4.35Å; F94-V109 HydrophobicContact CZ-CB 3.75Å; F94-V109 HydrophobicContact CZ-CG1 3.36Å; F94-V109 HydrophobicContact CZ-CG2 4.34Å; F94-V109 PolarHBondContact N-O 3.49Å; F94-V109 PolarHBondContact O-N 3.13Å; L96-V109 HydrophobicContact CD1-CG2 4.13Å; L96-V109 HydrophobicContact CG-CG2 4.23Å; F107-V109 HydrophobicContact CB-CG2 4.28Å
110H93.6Very high92.2Very high4 Ų453.7 Ų53.72%0.01926%0.26CS..EExtended strand (participates in β ladder)trans-112129.8174.7-60.673.8000108.4I74 H75 H77 D93 W206I74-H110 CarbonylContact C-O 3.57Å; I74-H110 WeakPolarHBondContact CA-O 3.36Å; I74-H110 WeakPolarHBondContact CB-O 3.24Å; H75-H110 PolarHBondContact N-O 2.95Å; H75-H110 PolarHBondContact O-N 3.32Å; H77-H110 AromaticContact CE1-CE1 3.67Å; D93-H110 VanDerWaalsContact OD2-CA 3.26Å; D93-H110 WeakPolarHBondContact OD2-CA 3.26Å; H110-W206 HydrophobicContact CB-CH2 3.86Å; H110-W206 HydrophobicContact CB-CZ3 4.1Å; H110-W206 WeakPolarHBondContact O-CZ3 3.5Å
111K94.9Very high92.7Very high31 Ų3151 Ų5114%0.13525%0.246CC..EExtended strand (participates in β ladder)trans-81.4133.1175.2-66.1175.476.6171.70109.9R34 D93 F94 V115 D116 L146 W206R34-K111 PolarHBondContact NH2-O 3.05Å; D93-K111 HydrophobicContact CB-CB 4.48Å; D93-K111 HydrophobicContact CB-CD 3.8Å; D93-K111 HydrophobicContact CB-CG 3.85Å; D93-K111 PolarHBondContact OD2-N 3.13Å; F94-K111 HydrophobicContact CD1-CD 4.42Å; F94-K111 HydrophobicContact CE1-CD 4.07Å; F94-K111 HydrophobicContact CE1-CG 3.89Å; K111-V115 HydrophobicContact CB-CG1 3.8Å; K111-V115 HydrophobicContact CD-CG1 4.47Å; K111-V115 VanDerWaalsContact CE-CG1 3.48Å; K111-V115 HydrophobicContact CG-CG1 4.3Å; K111-D116 WeakPolarHBondContact CE-OD1 3.34Å; K111-D116 WeakPolarHBondContact CE-OD2 2.72Å; K111-D116 IonicContact NZ-OD1 2.77Å; K111-D116 PolarHBondContact NZ-OD1 3.03Å; K111-D116 IonicContact NZ-OD2 2.72Å; K111-D116 PolarHBondContact NZ-OD2 3.01Å; K111-L146 HydrophobicContact CG-CD2 4.45Å; K111-W206 VanDerWaalsContact C-CH2 3.43Å; K111-W206 WeakPolarHBondContact O-CH2 2.96Å
112R95.4Very high93.3Very high0 Ų044.2 Ų44.20%021%0.21CC..PPolyproline II helixtrans-60.8138.6168.9-173170.2-171.7153.115.6108.8T72 L73 H114 V115 I203 K204 W206 D212 L215T72-R112 WeakPolarHBondContact O-CD 3.29Å; T72-R112 PolarHBondContact O-NH1 3.41Å; L73-R112 WeakPolarHBondContact O-CB 3.42Å; L73-R112 PolarHBondContact O-N 3.29Å; R112-H114 PolarHBondContact O-N 3.41Å; R112-V115 WeakPolarHBondContact O-CB 3.32Å; R112-V115 VanDerWaalsContact O-CG1 3.29Å; R112-V115 WeakPolarHBondContact O-CG1 3.48Å; R112-V115 PolarHBondContact O-N 2.83Å; R112-I203 VanDerWaalsContact NH1-CD1 3.26Å; R112-K204 PolarHBondContact NH1-O 2.91Å; R112-K204 PolarHBondContact NH2-O 3.37Å; R112-W206 HydrophobicContact CB-CD2 3.81Å; R112-W206 HydrophobicContact CB-CE3 3.75Å; R112-W206 HydrophobicContact CB-CG 4.25Å; R112-W206 HydrophobicContact CB-CZ3 4.18Å; R112-W206 HydrophobicContact CG-CB 4.11Å; R112-W206 HydrophobicContact CG-CD2 3.72Å; R112-W206 HydrophobicContact CG-CE3 4.18Å; R112-W206 HydrophobicContact CG-CG 3.66Å; R112-D212 IonicContact CZ-OD1 2.71Å; R112-D212 IonicContact CZ-OD2 3.88Å; R112-D212 IonicContact NE-OD1 3.2Å; R112-D212 PolarHBondContact NE-OD1 2.72Å; R112-D212 IonicContact NE-OD2 2.74Å; R112-D212 IonicContact NH2-OD1 2.74Å; R112-D212 PolarHBondContact NH2-OD1 3Å; R112-D212 IonicContact NH2-OD2 3.17Å; R112-D212 PolarHBondContact NH2-OD2 2.82Å; R112-L215 HydrophobicContact CB-CD1 4.17Å; R112-L215 HydrophobicContact CG-CD1 4.04Å; R112-L215 HydrophobicContact CG-CG 4.4Å
113P92.3Very high93.8Very high11 Ų1136.1 Ų36.17%0.07118%0.178CC..THydrogen-bonded Turntrans-51.6144.8177.2-25.532.7000111.7V115 W206 P210 D212P113-V115 PolarHBondContact O-N 3.01Å; P113-V115 VanDerWaalsContact O-N 3.14Å; P113-W206 VanDerWaalsContact CD-CE2 3.48Å; P113-W206 HydrophobicContact CG-CZ2 4.45Å; P113-P210 WeakPolarHBondContact CG-O 3.39Å; P113-D212 WeakPolarHBondContact CB-O 3.49Å; P113-D212 HydrophobicContact CG-CB 4.09Å
114H92.4Very high94.2Very high18 Ų1835.8 Ų35.88%0.08318%0.176CC..THydrogen-bonded Turntrans64.63.8-178.5-43.9-70.1000116.8R112 D116 F117 F118 D212 L216R112-H114 PolarHBondContact O-N 3.41Å; H114-D116 VanDerWaalsContact C-N 3.31Å; H114-D116 PolarHBondContact O-N 3.42Å; H114-F117 PolarHBondContact O-N 3.16Å; H114-F118 VanDerWaalsContact O-CB 3.31Å; H114-F118 WeakPolarHBondContact O-CB 3.24Å; H114-F118 PolarHBondContact O-N 2.72Å; H114-D212 PolarHBondContact CD2-O 3.18Å; H114-L216 HydrophobicContact CB-CB 4.42Å
115V96.3Very high94.5Very high0 Ų031.7 Ų31.70%015%0.147CC..Hα-helixtrans-56.9-39.4-177.168.50000114.1L73 K111 R112 P113 F118 L119 L146 L215L73-V115 HydrophobicContact CB-CG2 3.93Å; L73-V115 HydrophobicContact CD2-CG2 4.07Å; L73-V115 HydrophobicContact CG-CG2 4.4Å; K111-V115 HydrophobicContact CB-CG1 3.8Å; K111-V115 HydrophobicContact CD-CG1 4.47Å; K111-V115 VanDerWaalsContact CE-CG1 3.48Å; K111-V115 HydrophobicContact CG-CG1 4.3Å; R112-V115 WeakPolarHBondContact O-CB 3.32Å; R112-V115 VanDerWaalsContact O-CG1 3.29Å; R112-V115 WeakPolarHBondContact O-CG1 3.48Å; R112-V115 PolarHBondContact O-N 2.83Å; P113-V115 PolarHBondContact O-N 3.01Å; P113-V115 VanDerWaalsContact O-N 3.14Å; V115-F118 PolarHBondContact O-N 2.95Å; V115-L119 HydrophobicContact CG2-CD1 4.12Å; V115-L119 HydrophobicContact CG2-CG 4.37Å; V115-L119 WeakPolarHBondContact O-CB 3.47Å; V115-L119 VanDerWaalsContact O-CG 3.28Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.36Å; V115-L146 HydrophobicContact CG1-CD2 4.48Å; V115-L146 HydrophobicContact CG2-CD2 4.44Å; V115-L215 HydrophobicContact CB-CD1 3.86Å; V115-L215 HydrophobicContact CG2-CD1 4.15Å
116D94.9Very high94.9Very high46 Ų4630.3 Ų30.325%0.24614%0.139CC..Hα-helixtrans-64.2-48.8-179.6-69.5-46000112.2Q38 K111 H114 L119 E120Q38-D116 PolarHBondContact NE2-OD2 3.23Å; Q38-D116 VanDerWaalsContact NE2-OD2 3.16Å; K111-D116 WeakPolarHBondContact CE-OD1 3.34Å; K111-D116 WeakPolarHBondContact CE-OD2 2.72Å; K111-D116 IonicContact NZ-OD1 2.77Å; K111-D116 PolarHBondContact NZ-OD1 3.03Å; K111-D116 IonicContact NZ-OD2 2.72Å; K111-D116 PolarHBondContact NZ-OD2 3.01Å; H114-D116 VanDerWaalsContact C-N 3.31Å; H114-D116 PolarHBondContact O-N 3.42Å; D116-L119 PolarHBondContact O-N 3.25Å; D116-E120 WeakPolarHBondContact O-CB 3.36Å; D116-E120 PolarHBondContact O-N 3.03Å
117F93.2Very high95.2Very high70 Ų7028.4 Ų28.431%0.30714%0.135SC..Hα-helixtrans-66.2-42.4178.5177.7-104.2000110.9H114 L119 E120 V121 L216 L219H114-F117 PolarHBondContact O-N 3.16Å; F117-L119 PolarHBondContact O-N 2.91Å; F117-E120 WeakPolarHBondContact O-CB 3.24Å; F117-E120 PolarHBondContact O-N 3Å; F117-V121 HydrophobicContact CD1-CG2 4.4Å; F117-V121 HydrophobicContact CD2-CG2 4.29Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 3.85Å; F117-V121 HydrophobicContact CZ-CG2 3.68Å; F117-V121 WeakPolarHBondContact O-CG2 3.35Å; F117-V121 PolarHBondContact O-N 2.66Å; F117-L216 HydrophobicContact CD1-CD1 3.92Å; F117-L216 HydrophobicContact CE1-CD1 3.8Å; F117-L219 HydrophobicContact CD1-CD1 4.35Å; F117-L219 HydrophobicContact CE1-CD1 3.82Å
118F96.3Very high95.5Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-54.2-54.7173.2173.9-96.5000110.7L65 L67 L73 H114 V115 E120 V121 V122 L186 L215 L218 L219 L222L65-F118 HydrophobicContact CD2-CZ 4.29Å; L67-F118 HydrophobicContact CD2-CE1 4.01Å; L67-F118 HydrophobicContact CD2-CZ 4.43Å; L73-F118 HydrophobicContact CD2-CE1 4.41Å; H114-F118 VanDerWaalsContact O-CB 3.31Å; H114-F118 WeakPolarHBondContact O-CB 3.24Å; H114-F118 PolarHBondContact O-N 2.72Å; V115-F118 PolarHBondContact O-N 2.95Å; F118-E120 VanDerWaalsContact C-N 3.33Å; F118-E120 PolarHBondContact O-N 3.11Å; F118-V121 PolarHBondContact O-N 2.94Å; F118-V122 HydrophobicContact CD1-CG2 4.13Å; F118-V122 HydrophobicContact CD2-CG1 4.1Å; F118-V122 HydrophobicContact CE1-CG1 4.33Å; F118-V122 HydrophobicContact CE1-CG2 3.85Å; F118-V122 HydrophobicContact CE2-CG1 3.75Å; F118-V122 HydrophobicContact CZ-CG1 3.87Å; F118-V122 HydrophobicContact CZ-CG2 4.18Å; F118-V122 VanDerWaalsContact O-CG2 3.28Å; F118-V122 WeakPolarHBondContact O-CG2 3.45Å; F118-V122 PolarHBondContact O-N 2.94Å; F118-L186 HydrophobicContact CE1-CD2 4.37Å; F118-L186 HydrophobicContact CZ-CD2 3.92Å; F118-L215 HydrophobicContact CB-CB 4.15Å; F118-L215 HydrophobicContact CB-CD1 4.5Å; F118-L215 HydrophobicContact CD1-CD2 4.41Å; F118-L215 HydrophobicContact CD2-CB 3.95Å; F118-L215 VanDerWaalsContact CD2-O 3.24Å; F118-L215 WeakPolarHBondContact CD2-O 3.24Å; F118-L215 HydrophobicContact CE1-CD2 4.4Å; F118-L215 HydrophobicContact CG-CB 4.03Å; F118-L215 HydrophobicContact CG-CD2 4.5Å; F118-L215 HydrophobicContact CZ-CD2 4.47Å; F118-L218 HydrophobicContact CE2-CB 4.48Å; F118-L219 HydrophobicContact CD2-CD2 3.66Å; F118-L219 HydrophobicContact CD2-CG 4.34Å; F118-L219 HydrophobicContact CE2-CD2 4.06Å; F118-L222 HydrophobicContact CE2-CD1 3.64Å; F118-L222 HydrophobicContact CZ-CD1 3.9Å
119L97.9Very high95.8Very high0 Ų025.6 Ų25.60%012%0.123CC..Hα-helixtrans-61.2-39.4179-70.5175.3000112.5L67 L73 V115 D116 F117 V121 S123 L128 L146 I152 L153L67-L119 HydrophobicContact CD1-CD2 3.64Å; L73-L119 HydrophobicContact CD1-CD2 4.45Å; V115-L119 HydrophobicContact CG2-CD1 4.12Å; V115-L119 HydrophobicContact CG2-CG 4.37Å; V115-L119 WeakPolarHBondContact O-CB 3.47Å; V115-L119 VanDerWaalsContact O-CG 3.28Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 3.36Å; D116-L119 PolarHBondContact O-N 3.25Å; F117-L119 PolarHBondContact O-N 2.91Å; L119-V121 VanDerWaalsContact C-N 3.35Å; L119-V121 PolarHBondContact O-N 2.78Å; L119-S123 WeakPolarHBondContact O-CB 3.38Å; L119-S123 PolarHBondContact O-N 3.42Å; L119-S123 PolarHBondContact O-OG 3.08Å; L119-L128 HydrophobicContact CD2-CD1 4.04Å; L119-L146 HydrophobicContact CD1-CB 4.11Å; L119-I152 HydrophobicContact CB-CD1 4.16Å; L119-L153 HydrophobicContact CD2-CD2 4.48Å
120E95Very high96Very high104 Ų10425.7 Ų25.749%0.48612%0.123SC..Hα-helixtrans-59-45.1175179.6178.3-172.500111.9D116 F117 F118 S123 Q124D116-E120 WeakPolarHBondContact O-CB 3.36Å; D116-E120 PolarHBondContact O-N 3.03Å; F117-E120 WeakPolarHBondContact O-CB 3.24Å; F117-E120 PolarHBondContact O-N 3Å; F118-E120 VanDerWaalsContact C-N 3.33Å; F118-E120 PolarHBondContact O-N 3.11Å; E120-S123 PolarHBondContact O-OG 3.28Å; E120-Q124 PolarHBondContact O-NE2 3.25Å; E120-Q124 VanDerWaalsContact O-NE2 3.14Å
121V95Very high96.3Very high5 Ų525.5 Ų25.53%0.0312%0.122CC..Hα-helixtrans-72.3-53.5179.8173.90000111.1F117 F118 L119 S123 Q124 W125 L219F117-V121 HydrophobicContact CD1-CG2 4.4Å; F117-V121 HydrophobicContact CD2-CG2 4.29Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 3.85Å; F117-V121 HydrophobicContact CZ-CG2 3.68Å; F117-V121 WeakPolarHBondContact O-CG2 3.35Å; F117-V121 PolarHBondContact O-N 2.66Å; F118-V121 PolarHBondContact O-N 2.94Å; L119-V121 VanDerWaalsContact C-N 3.35Å; L119-V121 PolarHBondContact O-N 2.78Å; V121-S123 VanDerWaalsContact C-N 3.27Å; V121-S123 PolarHBondContact O-N 2.75Å; V121-Q124 WeakPolarHBondContact O-CB 3.38Å; V121-Q124 PolarHBondContact O-N 2.84Å; V121-Q124 VanDerWaalsContact O-N 3.09Å; V121-W125 HydrophobicContact CG1-CD2 4.12Å; V121-W125 HydrophobicContact CG1-CE3 4.09Å; V121-W125 HydrophobicContact CG1-CH2 3.16Å; V121-W125 HydrophobicContact CG1-CZ2 3.16Å; V121-W125 HydrophobicContact CG1-CZ3 3.63Å; V121-L219 HydrophobicContact CB-CD2 4.2Å; V121-L219 HydrophobicContact CG1-CD1 4.37Å; V121-L219 HydrophobicContact CG1-CD2 3.9Å
122V97.5Very high96.4Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-69.3-25.8-173.8-59.50000112.8L65 F118 Q124 W125 Y126 L128 L219 L222L65-V122 HydrophobicContact CD2-CB 4.05Å; L65-V122 HydrophobicContact CD2-CG1 4.3Å; L65-V122 HydrophobicContact CD2-CG2 4.02Å; F118-V122 HydrophobicContact CD1-CG2 4.13Å; F118-V122 HydrophobicContact CD2-CG1 4.1Å; F118-V122 HydrophobicContact CE1-CG1 4.33Å; F118-V122 HydrophobicContact CE1-CG2 3.85Å; F118-V122 HydrophobicContact CE2-CG1 3.75Å; F118-V122 HydrophobicContact CZ-CG1 3.87Å; F118-V122 HydrophobicContact CZ-CG2 4.18Å; F118-V122 VanDerWaalsContact O-CG2 3.28Å; F118-V122 WeakPolarHBondContact O-CG2 3.45Å; F118-V122 PolarHBondContact O-N 2.94Å; V122-Q124 PolarHBondContact O-N 2.79Å; V122-W125 HydrophobicContact CG1-CE3 4.26Å; V122-W125 HydrophobicContact CG1-CZ3 4.45Å; V122-W125 PolarHBondContact O-N 2.73Å; V122-Y126 HydrophobicContact CB-CD2 4.42Å; V122-Y126 PolarHBondContact O-N 2.77Å; V122-L128 HydrophobicContact CB-CD2 4.33Å; V122-L128 HydrophobicContact CG2-CD1 4.07Å; V122-L128 HydrophobicContact CG2-CD2 3.76Å; V122-L219 HydrophobicContact CG1-CD2 3.74Å; V122-L222 HydrophobicContact CG1-CD1 3.87Å
123S97.7Very high96.5Very high23 Ų2325.3 Ų25.316%0.16113%0.126CC..Hα-helixtrans-67.1-17.2174.566.20000113.8R62 L119 E120 V121R62-S123 PolarHBondContact NH2-O 2.89Å; L119-S123 WeakPolarHBondContact O-CB 3.38Å; L119-S123 PolarHBondContact O-N 3.42Å; L119-S123 PolarHBondContact O-OG 3.08Å; E120-S123 PolarHBondContact O-OG 3.28Å; V121-S123 VanDerWaalsContact C-N 3.27Å; V121-S123 PolarHBondContact O-N 2.75Å
124Q95.1Very high96.7Very high123 Ų12325.8 Ų25.858%0.57513%0.13SC*.Hα-helixtrans-82.1-23.6172-60.6172.640.500111.7E120 V121 V122E120-Q124 PolarHBondContact O-NE2 3.25Å; E120-Q124 VanDerWaalsContact O-NE2 3.14Å; V121-Q124 WeakPolarHBondContact O-CB 3.38Å; V121-Q124 PolarHBondContact O-N 2.84Å; V121-Q124 VanDerWaalsContact O-N 3.09Å; V122-Q124 PolarHBondContact O-N 2.79Å
125W95.8Very high96.8Very high22 Ų2229.4 Ų29.48%0.08315%0.148CC..Hα-helixtrans-101.1-36.3-172.5-57.9-14.3000112.7Y44 V121 V122 L219 L222 D223 R226Y44-W125 HydrophobicContact CD1-CH2 4.49Å; Y44-W125 AromaticContact CE1-CH2 3.6Å; Y44-W125 HydrophobicContact CE1-CH2 3.6Å; Y44-W125 AromaticContact CE1-CZ2 3.94Å; Y44-W125 HydrophobicContact CE1-CZ2 3.94Å; Y44-W125 AromaticContact CZ-CH2 3.87Å; V121-W125 HydrophobicContact CG1-CD2 4.12Å; V121-W125 HydrophobicContact CG1-CE3 4.09Å; V121-W125 HydrophobicContact CG1-CH2 3.16Å; V121-W125 HydrophobicContact CG1-CZ2 3.16Å; V121-W125 HydrophobicContact CG1-CZ3 3.63Å; V122-W125 HydrophobicContact CG1-CE3 4.26Å; V122-W125 HydrophobicContact CG1-CZ3 4.45Å; V122-W125 PolarHBondContact O-N 2.73Å; W125-L219 HydrophobicContact CH2-CB 4.38Å; W125-L219 HydrophobicContact CH2-CD2 4.36Å; W125-L219 HydrophobicContact CZ3-CB 4.44Å; W125-L219 HydrophobicContact CZ3-CD2 4.03Å; W125-L222 HydrophobicContact CE3-CB 4.48Å; W125-L222 HydrophobicContact CZ3-CB 4.33Å; W125-D223 HydrophobicContact CE3-CB 4.43Å; W125-D223 HydrophobicContact CH2-CB 3.76Å; W125-D223 HydrophobicContact CZ2-CB 4.28Å; W125-D223 HydrophobicContact CZ3-CB 3.86Å; W125-R226 HydrophobicContact CB-CG 4.1Å; W125-R226 VanDerWaalsContact CD1-CZ 3.42Å
126Y98.3Very high96.9Very high1 Ų133.9 Ų33.90%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-124152.4-171.5-67.9-90000111R62 K63 L65 V122 L222 L225 R226R62-Y126 PolarHBondContact NH2-O 3.06Å; K63-Y126 HydrophobicContact CB-CD1 3.62Å; K63-Y126 HydrophobicContact CB-CE1 3.55Å; K63-Y126 HydrophobicContact CD-CE1 4.31Å; K63-Y126 CarbonylContact O-C 3.53Å; K63-Y126 WeakPolarHBondContact O-CA 3.36Å; L65-Y126 HydrophobicContact CB-CD1 3.89Å; L65-Y126 HydrophobicContact CB-CD2 4.46Å; L65-Y126 HydrophobicContact CB-CG 3.78Å; L65-Y126 HydrophobicContact CD2-CD2 4.47Å; V122-Y126 HydrophobicContact CB-CD2 4.42Å; V122-Y126 PolarHBondContact O-N 2.77Å; Y126-L222 HydrophobicContact CE2-CB 4.09Å; Y126-L222 HydrophobicContact CE2-CD2 4.41Å; Y126-L222 PolarHBondContact OH-O 3.29Å; Y126-L225 WeakPolarHBondContact OH-CB 3.45Å; Y126-R226 HydrophobicContact CE2-CG 4.15Å
127E98.4Very high96.9Very high75 Ų7535.4 Ų35.435%0.3518%0.176SC..EExtended strand (participates in β ladder)trans-74.1124.1155.4-178.6-175.7161.300107.9K63 I64 L65 R155K63-E127 PolarHBondContact O-N 2.95Å; I64-E127 CarbonylContact C-O 3.45Å; I64-E127 WeakPolarHBondContact CA-O 3.48Å; I64-E127 HydrophobicContact CG1-CB 4.18Å; L65-E127 PolarHBondContact N-O 3.46Å; E127-R155 WeakPolarHBondContact OE1-CD 3.31Å; E127-R155 IonicContact OE1-CZ 3.02Å; E127-R155 IonicContact OE1-NE 3.79Å; E127-R155 IonicContact OE1-NH1 3.12Å; E127-R155 PolarHBondContact OE1-NH1 2.75Å; E127-R155 IonicContact OE2-NH1 3.7Å
128L98.8Very high97Very high5 Ų532.5 Ų32.53%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-94134.2-178-52.4-174.1000110.6L65 L67 L119 V122 I152 L153L65-L128 HydrophobicContact CB-CD2 3.98Å; L65-L128 HydrophobicContact CD2-CD2 4.16Å; L65-L128 HydrophobicContact CG-CD2 4.46Å; L65-L128 WeakPolarHBondContact O-CA 3.45Å; L67-L128 HydrophobicContact CD1-CB 4.4Å; L67-L128 HydrophobicContact CD1-CD1 4.31Å; L67-L128 HydrophobicContact CD1-CD2 4.39Å; L119-L128 HydrophobicContact CD2-CD1 4.04Å; V122-L128 HydrophobicContact CB-CD2 4.33Å; V122-L128 HydrophobicContact CG2-CD1 4.07Å; V122-L128 HydrophobicContact CG2-CD2 3.76Å; L128-I152 HydrophobicContact CD1-CB 4.49Å; L128-I152 HydrophobicContact CD1-CD1 4.25Å; L128-L153 HydrophobicContact CB-CD2 3.77Å; L128-L153 HydrophobicContact CD1-CD2 4Å
129V98.9Very high97Very high0 Ų032.5 Ų32.50%016%0.163CC..EExtended strand (participates in β ladder)trans-126.9127.8177174.70000108.3I64 L65 V66 L67 R155 Y157 V176I64-V129 HydrophobicContact CG2-CB 4.24Å; I64-V129 HydrophobicContact CG2-CG2 3.58Å; L65-V129 PolarHBondContact O-N 3.29Å; V66-V129 CarbonylContact C-O 3.58Å; V66-V129 VanDerWaalsContact CA-O 3.31Å; V66-V129 WeakPolarHBondContact CA-O 3.42Å; V66-V129 HydrophobicContact CG2-CB 4.22Å; V66-V129 HydrophobicContact CG2-CG1 4.45Å; L67-V129 PolarHBondContact N-O 3.08Å; V129-R155 WeakPolarHBondContact CA-O 3.16Å; V129-R155 HydrophobicContact CG1-CB 4.31Å; V129-R155 HydrophobicContact CG2-CB 3.96Å; V129-Y157 HydrophobicContact CG1-CD2 3.59Å; V129-Y157 HydrophobicContact CG1-CE2 3.62Å; V129-V176 HydrophobicContact CB-CG1 4.4Å; V129-V176 HydrophobicContact CG1-CG1 4.03Å; V129-V176 HydrophobicContact CG2-CG1 4.04Å
130V98.9Very high97Very high1 Ų133.9 Ų33.91%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-81.31291691760000108.1L69 T132 A143 L153 R155 R156 Y157L69-V130 HydrophobicContact CD1-CG1 3.87Å; L69-V130 HydrophobicContact CD2-CG1 3.93Å; L69-V130 HydrophobicContact CD2-CG2 4.47Å; L69-V130 HydrophobicContact CG-CG1 3.82Å; V130-T132 HydrophobicContact CG1-CG2 4.39Å; V130-A143 HydrophobicContact CG2-CB 4.17Å; V130-L153 HydrophobicContact CG2-CB 4.06Å; V130-L153 HydrophobicContact CG2-CD1 4.03Å; V130-L153 HydrophobicContact CG2-CD2 4.08Å; V130-L153 HydrophobicContact CG2-CG 4.27Å; V130-R155 PolarHBondContact N-O 2.98Å; V130-R156 HydrophobicContact CB-CB 4.25Å; V130-R156 HydrophobicContact CB-CG 4.1Å; V130-R156 HydrophobicContact CG2-CG 4.39Å; V130-R156 CarbonylContact O-C 3.54Å; V130-R156 VanDerWaalsContact O-CA 3.32Å; V130-R156 WeakPolarHBondContact O-CA 3.46Å; V130-Y157 PolarHBondContact O-N 2.72Å
131F98.8Very high97.1Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-136.6104.2168-160.9164.8000108.6V66 L67 Y157 H161 K171 V175 V176V66-F131 HydrophobicContact CG1-CB 3.34Å; V66-F131 HydrophobicContact CG1-CD1 4.2Å; V66-F131 HydrophobicContact CG1-CG 4.29Å; L67-F131 PolarHBondContact O-N 3.01Å; F131-Y157 CarbonylContact C-O 3.56Å; F131-Y157 VanDerWaalsContact CA-O 3.29Å; F131-Y157 WeakPolarHBondContact CA-O 3.35Å; F131-Y157 HydrophobicContact CG-CG 4.45Å; F131-H161 HydrophobicContact CE2-CB 4.21Å; F131-H161 HydrophobicContact CZ-CB 4.4Å; F131-K171 HydrophobicContact CB-CD 4.31Å; F131-K171 HydrophobicContact CD1-CB 3.84Å; F131-K171 HydrophobicContact CD1-CD 4.38Å; F131-K171 HydrophobicContact CD1-CG 4.25Å; F131-K171 HydrophobicContact CD2-CB 4.32Å; F131-K171 HydrophobicContact CD2-CD 4Å; F131-K171 HydrophobicContact CD2-CG 3.88Å; F131-K171 HydrophobicContact CE1-CB 3.62Å; F131-K171 HydrophobicContact CE1-CG 4.23Å; F131-K171 HydrophobicContact CE2-CB 4.14Å; F131-K171 HydrophobicContact CE2-CD 4.49Å; F131-K171 HydrophobicContact CE2-CG 3.86Å; F131-K171 HydrophobicContact CG-CB 4.2Å; F131-K171 HydrophobicContact CG-CD 3.95Å; F131-K171 HydrophobicContact CG-CG 4.1Å; F131-K171 HydrophobicContact CZ-CB 3.79Å; F131-K171 HydrophobicContact CZ-CG 4.04Å; F131-K171 VanDerWaalsContact O-CE 3.26Å; F131-K171 WeakPolarHBondContact O-CE 3.15Å; F131-K171 PolarHBondContact O-NZ 3.14Å; F131-V175 HydrophobicContact CE1-CG2 4.25Å; F131-V176 HydrophobicContact CD1-CG2 4Å; F131-V176 HydrophobicContact CE1-CG2 4.18Å
132T98.5Very high97.3Very high1 Ų129.8 Ų29.81%0.00616%0.157CC..  trans-120.1146.8-176.9179.80000111.4L69 V130 S134 Y157 Y158 R159L69-T132 HydrophobicContact CD1-CG2 3.97Å; L69-T132 HydrophobicContact CG-CG2 4.42Å; V130-T132 HydrophobicContact CG1-CG2 4.39Å; T132-S134 PolarHBondContact O-N 3.28Å; T132-S134 WeakPolarHBondContact OG1-CB 3.47Å; T132-S134 PolarHBondContact OG1-N 2.83Å; T132-S134 VanDerWaalsContact OG1-N 3.11Å; T132-Y157 PolarHBondContact N-O 2.81Å; T132-Y158 HydrophobicContact CG2-CD1 3.71Å; T132-Y158 HydrophobicContact CG2-CE1 4.36Å; T132-Y158 CarbonylContact O-C 3.32Å; T132-Y158 VanDerWaalsContact O-CA 3.29Å; T132-Y158 WeakPolarHBondContact O-CA 3.42Å; T132-R159 PolarHBondContact O-N 2.87Å
133A97.1Very high97.3Very high26 Ų2629.8 Ų29.822%0.21516%0.157CC..SBendtrans-78.65.4169.700000112.9R159 Y169A133-R159 WeakPolarHBondContact O-CB 3Å; A133-R159 VanDerWaalsContact O-CZ 3.27Å; A133-R159 PolarHBondContact O-NE 3.03Å; A133-R159 PolarHBondContact O-NH2 3.5Å; A133-Y169 HydrophobicContact CB-CD2 4.14Å; A133-Y169 HydrophobicContact CB-CG 4.1Å
134S95.8Very high97.3Very high21 Ų2132.7 Ų32.715%0.14717%0.171CC..SBendtrans-85.8158.8176.7-73.10000112.9D70 T132 R159D70-S134 PolarHBondContact OD2-OG 3.27Å; T132-S134 PolarHBondContact O-N 3.28Å; T132-S134 WeakPolarHBondContact OG1-CB 3.47Å; T132-S134 PolarHBondContact OG1-N 2.83Å; T132-S134 VanDerWaalsContact OG1-N 3.11Å; S134-R159 WeakPolarHBondContact O-CB 3.33Å; S134-R159 PolarHBondContact O-N 3.04Å
135M95.3Very high97.4Very high95 Ų9532.3 Ų32.347%0.46817%0.168SC..  trans-62.5144176.4-64.4-59.5-73.300110.7I137 Y138 G139 R159M135-I137 VanDerWaalsContact C-N 3.31Å; M135-I137 HydrophobicContact CB-CG2 4.22Å; M135-I137 PolarHBondContact O-N 2.76Å; M135-Y138 PolarHBondContact O-N 3.09Å; M135-Y138 VanDerWaalsContact O-N 3.1Å; M135-G139 PolarHBondContact O-N 2.69Å; M135-R159 VanDerWaalsContact CG-NH1 3.3Å; M135-R159 HydrophobicContact SD-CB 4.32Å; M135-R159 PolarHBondContact SD-NH1 3.01Å
136E96.9Very high97.6Very high93 Ų9331.3 Ų31.344%0.43516%0.164SC..Hα-helixtrans-53.2-44.3179.5174.5162.2-163.500113.4Y138 G139 S140 Y158 Q160E136-Y138 PolarHBondContact O-N 3.41Å; E136-Y138 VanDerWaalsContact O-N 3.11Å; E136-G139 PolarHBondContact O-N 2.79Å; E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 2.94Å; E136-Y158 HydrophobicContact CB-CD1 4.28Å; E136-Y158 HydrophobicContact CB-CD2 3.49Å; E136-Y158 VanDerWaalsContact CB-CD2 3.49Å; E136-Y158 HydrophobicContact CB-CE2 3.97Å; E136-Y158 HydrophobicContact CB-CG 3.65Å; E136-Y158 HydrophobicContact CG-CD2 3.48Å; E136-Y158 VanDerWaalsContact CG-CD2 3.48Å; E136-Y158 HydrophobicContact CG-CE2 3.44Å; E136-Y158 VanDerWaalsContact CG-CE2 3.44Å; E136-Y158 HydrophobicContact CG-CG 4.1Å; E136-Q160 PolarHBondContact OE2-NE2 3.03Å
137I94.9Very high97.5Very high78 Ų7831.8 Ų31.840%0.417%0.166SC..Hα-helixtrans-56.9-32.1-178.7-164.6170000113.5V98 V99 M135V98-I137 HydrophobicContact CB-CD1 4.4Å; V98-I137 HydrophobicContact CB-CG1 4.2Å; V98-I137 HydrophobicContact CG1-CG1 4.38Å; V99-I137 WeakPolarHBondContact O-CD1 3.38Å; M135-I137 VanDerWaalsContact C-N 3.31Å; M135-I137 HydrophobicContact CB-CG2 4.22Å; M135-I137 PolarHBondContact O-N 2.76Å
138Y95.6Very high97.4Very high10 Ų1033.6 Ų33.64%0.03918%0.178CC..Hα-helixtrans-89.2-50175.9165.1-95000111.2D70 I74 S76 L96 F107 M135 E136 S140 A141 V142D70-Y138 WeakPolarHBondContact OD1-CE1 3.29Å; D70-Y138 PolarHBondContact OD1-OH 2.82Å; D70-Y138 WeakPolarHBondContact OD2-CE1 3.45Å; I74-Y138 WeakPolarHBondContact CD1-OH 3.43Å; S76-Y138 WeakPolarHBondContact CB-OH 3.33Å; S76-Y138 PolarHBondContact OG-OH 3.2Å; L96-Y138 HydrophobicContact CD1-CD2 4.42Å; L96-Y138 HydrophobicContact CD1-CE2 4.35Å; F107-Y138 HydrophobicContact CB-CD2 4.41Å; F107-Y138 HydrophobicContact CB-CE2 4.07Å; F107-Y138 AromaticContact CD1-CD2 3.76Å; F107-Y138 HydrophobicContact CD1-CD2 3.76Å; F107-Y138 AromaticContact CD1-CE2 3.56Å; F107-Y138 HydrophobicContact CD1-CE2 3.56Å; F107-Y138 HydrophobicContact CD2-CD2 4.05Å; F107-Y138 HydrophobicContact CD2-CE2 4.48Å; F107-Y138 AromaticContact CE1-CD2 3.96Å; F107-Y138 HydrophobicContact CE1-CD2 3.96Å; F107-Y138 HydrophobicContact CE1-CE2 4.09Å; F107-Y138 HydrophobicContact CE2-CD2 4.26Å; F107-Y138 AromaticContact CG-CD2 3.8Å; F107-Y138 HydrophobicContact CG-CD2 3.8Å; F107-Y138 AromaticContact CG-CE2 3.78Å; F107-Y138 HydrophobicContact CG-CE2 3.78Å; F107-Y138 HydrophobicContact CZ-CD2 4.21Å; M135-Y138 PolarHBondContact O-N 3.09Å; M135-Y138 VanDerWaalsContact O-N 3.1Å; E136-Y138 PolarHBondContact O-N 3.41Å; E136-Y138 VanDerWaalsContact O-N 3.11Å; Y138-S140 PolarHBondContact O-N 3.27Å; Y138-A141 PolarHBondContact O-N 2.95Å; Y138-V142 HydrophobicContact CD1-CG2 4.38Å; Y138-V142 HydrophobicContact CD2-CG2 4.18Å; Y138-V142 HydrophobicContact CE1-CG2 3.9Å; Y138-V142 HydrophobicContact CE2-CG2 3.63Å; Y138-V142 WeakPolarHBondContact O-CG2 3.29Å; Y138-V142 PolarHBondContact O-N 3.47Å
139G97.3Very high97.3Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-63.3-38.4-174.400000113.1M135 E136 A143M135-G139 PolarHBondContact O-N 2.69Å; E136-G139 PolarHBondContact O-N 2.79Å; G139-A143 VanDerWaalsContact O-CB 3.29Å; G139-A143 WeakPolarHBondContact O-CB 3.41Å; G139-A143 PolarHBondContact O-N 3.48Å
140S97.4Very high97.3Very high28 Ų2844.9 Ų44.920%0.19623%0.232CC..Hα-helixtrans-61-48.8173.357.80000111.7E136 Y138 V142 A143 D144 R156 Y158E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 2.94Å; Y138-S140 PolarHBondContact O-N 3.27Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 PolarHBondContact O-N 3.4Å; S140-A143 PolarHBondContact O-N 3.23Å; S140-A143 VanDerWaalsContact O-N 3.16Å; S140-D144 VanDerWaalsContact O-CG 3.29Å; S140-D144 PolarHBondContact O-N 2.86Å; S140-R156 PolarHBondContact O-NH1 3.2Å; S140-Y158 VanDerWaalsContact CA-OH 3.28Å; S140-Y158 WeakPolarHBondContact CA-OH 3.34Å; S140-Y158 VanDerWaalsContact CB-OH 3.28Å; S140-Y158 WeakPolarHBondContact CB-OH 3.41Å
141A97.2Very high97.2Very high23 Ų2349.4 Ų49.419%0.1926%0.257CS..Hα-helixtrans-63.7-37.8-18000000112.6L96 Y138 K145L96-A141 HydrophobicContact CD1-CB 3.93Å; L96-A141 HydrophobicContact CD2-CB 4.14Å; Y138-A141 PolarHBondContact O-N 2.95Å; A141-K145 WeakPolarHBondContact O-CG 3.44Å; A141-K145 PolarHBondContact O-N 3.35Å
142V98.1Very high97.2Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-64.5-49.4171.5172.70000110.6L69 I74 L96 Y138 S140 D144 K145 L146L69-V142 HydrophobicContact CD1-CB 4.22Å; L69-V142 HydrophobicContact CD1-CG1 4.09Å; L69-V142 HydrophobicContact CD2-CG1 4.5Å; I74-V142 HydrophobicContact CD1-CG1 3.72Å; I74-V142 HydrophobicContact CD1-CG2 4.1Å; I74-V142 HydrophobicContact CG1-CG1 4.11Å; I74-V142 HydrophobicContact CG2-CG1 4.42Å; L96-V142 HydrophobicContact CD1-CB 4.34Å; L96-V142 HydrophobicContact CD1-CG2 3.42Å; L96-V142 VanDerWaalsContact CD1-CG2 3.42Å; Y138-V142 HydrophobicContact CD1-CG2 4.38Å; Y138-V142 HydrophobicContact CD2-CG2 4.18Å; Y138-V142 HydrophobicContact CE1-CG2 3.9Å; Y138-V142 HydrophobicContact CE2-CG2 3.63Å; Y138-V142 WeakPolarHBondContact O-CG2 3.29Å; Y138-V142 PolarHBondContact O-N 3.47Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 PolarHBondContact O-N 3.4Å; V142-D144 VanDerWaalsContact C-N 3.29Å; V142-D144 PolarHBondContact O-N 3.27Å; V142-K145 PolarHBondContact O-N 2.66Å; V142-K145 VanDerWaalsContact O-N 3.13Å; V142-L146 HydrophobicContact CG1-CD1 4.02Å; V142-L146 HydrophobicContact CG1-CG 4.37Å; V142-L146 PolarHBondContact O-N 3.46Å
143A98.3Very high97.1Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-59.1-39.4-179.400000111.8V130 G139 S140 K145 L146 D147 L153V130-A143 HydrophobicContact CG2-CB 4.17Å; G139-A143 VanDerWaalsContact O-CB 3.29Å; G139-A143 WeakPolarHBondContact O-CB 3.41Å; G139-A143 PolarHBondContact O-N 3.48Å; S140-A143 PolarHBondContact O-N 3.23Å; S140-A143 VanDerWaalsContact O-N 3.16Å; A143-K145 PolarHBondContact O-N 3.4Å; A143-L146 PolarHBondContact O-N 2.81Å; A143-D147 WeakPolarHBondContact O-CB 3.01Å; A143-D147 PolarHBondContact O-N 3.02Å; A143-L153 HydrophobicContact CB-CD1 4.46Å
144D98.1Very high97.1Very high85 Ų8556.5 Ų56.546%0.45528%0.284SS..Hα-helixtrans-63.4-40.7175.7-68.7-24.3000112.5S140 V142 D147 N148 R156S140-D144 VanDerWaalsContact O-CG 3.29Å; S140-D144 PolarHBondContact O-N 2.86Å; V142-D144 VanDerWaalsContact C-N 3.29Å; V142-D144 PolarHBondContact O-N 3.27Å; D144-D147 PolarHBondContact O-N 3.21Å; D144-N148 PolarHBondContact O-N 2.88Å; D144-R156 IonicContact OD1-CZ 3.85Å; D144-R156 IonicContact OD1-NH1 3.58Å; D144-R156 PolarHBondContact OD1-NH1 3.42Å; D144-R156 IonicContact OD1-NH2 3.62Å; D144-R156 PolarHBondContact OD1-NH2 2.78Å; D144-R156 IonicContact OD2-NH1 3.69Å
145K98Very high97.3Very high115 Ų11558.8 Ų58.850%0.529%0.289SS..Hα-helixtrans-66.9-36.5176.2-68.8-60.6-177.4-172.30112.7F94 L96 A141 V142 A143F94-K145 HydrophobicContact CD1-CB 4.29Å; F94-K145 HydrophobicContact CD2-CB 4.06Å; F94-K145 HydrophobicContact CD2-CG 3.8Å; F94-K145 HydrophobicContact CE1-CB 4.01Å; F94-K145 HydrophobicContact CE2-CB 3.75Å; F94-K145 HydrophobicContact CE2-CG 3.85Å; F94-K145 HydrophobicContact CG-CB 4.31Å; F94-K145 HydrophobicContact CG-CG 4.23Å; F94-K145 HydrophobicContact CZ-CB 3.72Å; F94-K145 HydrophobicContact CZ-CG 4.34Å; L96-K145 HydrophobicContact CD2-CG 3.85Å; A141-K145 WeakPolarHBondContact O-CG 3.44Å; A141-K145 PolarHBondContact O-N 3.35Å; V142-K145 PolarHBondContact O-N 2.66Å; V142-K145 VanDerWaalsContact O-N 3.13Å; A143-K145 PolarHBondContact O-N 3.4Å
146L98.2Very high97.4Very high0 Ų056.9 Ų56.90%028%0.277CS..Hα-helixtrans-74.8-38.8175.7-67178.7000112.1L69 L73 I74 K111 V115 L119 V142 A143 N148 R150 L153L69-L146 HydrophobicContact CD2-CD1 4.22Å; L73-L146 HydrophobicContact CB-CD1 4.32Å; L73-L146 HydrophobicContact CD1-CD1 4.22Å; I74-L146 HydrophobicContact CG2-CD1 4.08Å; I74-L146 HydrophobicContact CG2-CD2 4.04Å; I74-L146 HydrophobicContact CG2-CG 4.47Å; K111-L146 HydrophobicContact CG-CD2 4.45Å; V115-L146 HydrophobicContact CG1-CD2 4.48Å; V115-L146 HydrophobicContact CG2-CD2 4.44Å; L119-L146 HydrophobicContact CD1-CB 4.11Å; V142-L146 HydrophobicContact CG1-CD1 4.02Å; V142-L146 HydrophobicContact CG1-CG 4.37Å; V142-L146 PolarHBondContact O-N 3.46Å; A143-L146 PolarHBondContact O-N 2.81Å; L146-N148 VanDerWaalsContact C-N 3.34Å; L146-R150 PolarHBondContact O-NH2 3.39Å; L146-L153 HydrophobicContact CB-CD1 4.17Å
147D97.9Very high97.5Very high11 Ų1154.3 Ų54.36%0.05926%0.263CS..Hα-helixtrans-64.1-40.9178.2-173.584.3000111.2A143 D144 N149 R150 N151 I152 L153A143-D147 WeakPolarHBondContact O-CB 3.01Å; A143-D147 PolarHBondContact O-N 3.02Å; D144-D147 PolarHBondContact O-N 3.21Å; D147-N149 VanDerWaalsContact C-N 3.28Å; D147-N149 PolarHBondContact O-N 2.88Å; D147-N149 WeakPolarHBondContact OD2-CA 3.36Å; D147-N149 PolarHBondContact OD2-N 3.1Å; D147-R150 VanDerWaalsContact O-CB 3.24Å; D147-R150 WeakPolarHBondContact O-CB 3.38Å; D147-R150 VanDerWaalsContact O-CG 3.25Å; D147-R150 WeakPolarHBondContact O-CG 3.33Å; D147-R150 PolarHBondContact O-N 3.3Å; D147-R150 VanDerWaalsContact O-N 3.12Å; D147-R150 PolarHBondContact O-NE 2.78Å; D147-R150 PolarHBondContact OD2-N 3.26Å; D147-N151 PolarHBondContact OD1-N 2.93Å; D147-N151 PolarHBondContact OD2-N 2.73Å; D147-I152 VanDerWaalsContact OD1-CG1 3.26Å; D147-I152 WeakPolarHBondContact OD1-CG1 3.37Å; D147-I152 PolarHBondContact OD1-N 2.96Å; D147-L153 HydrophobicContact CB-CB 4.31Å; D147-L153 HydrophobicContact CB-CD1 4.35Å; D147-L153 HydrophobicContact CB-CG 4.4Å; D147-L153 PolarHBondContact OD1-N 2.77Å
148N96.4Very high97.7Very high113 Ų11351 Ų5160%0.60425%0.246SC*.THydrogen-bonded Turntrans52.945178.8-168.541.4000112.6D144 L146 R150D144-N148 PolarHBondContact O-N 2.88Å; L146-N148 VanDerWaalsContact C-N 3.34Å; N148-R150 PolarHBondContact O-N 3.37Å; N148-R150 VanDerWaalsContact O-N 3.17Å
149N96.5Very high97.8Very high157 Ų15754.3 Ų54.384%0.8426%0.259SS*.THydrogen-bonded Turntrans61.316.3-178.7-51.8-50.8000115.1D147 N151D147-N149 VanDerWaalsContact C-N 3.28Å; D147-N149 PolarHBondContact O-N 2.88Å; D147-N149 WeakPolarHBondContact OD2-CA 3.36Å; D147-N149 PolarHBondContact OD2-N 3.1Å; N149-N151 PolarHBondContact O-N 3.38Å
150R97.1Very high97.7Very high85 Ų8559.2 Ų59.232%0.32128%0.282SS..SBendtrans-76.2-15.4174.8-65.1179.3-71.4173.7-4.3112.4L146 D147 N148 I152L146-R150 PolarHBondContact O-NH2 3.39Å; D147-R150 VanDerWaalsContact O-CB 3.24Å; D147-R150 WeakPolarHBondContact O-CB 3.38Å; D147-R150 VanDerWaalsContact O-CG 3.25Å; D147-R150 WeakPolarHBondContact O-CG 3.33Å; D147-R150 PolarHBondContact O-N 3.3Å; D147-R150 VanDerWaalsContact O-N 3.12Å; D147-R150 PolarHBondContact O-NE 2.78Å; D147-R150 PolarHBondContact OD2-N 3.26Å; N148-R150 PolarHBondContact O-N 3.37Å; N148-R150 VanDerWaalsContact O-N 3.17Å; R150-I152 VanDerWaalsContact C-N 3.26Å; R150-I152 HydrophobicContact CB-CD1 4.47Å; R150-I152 HydrophobicContact CB-CG1 4.16Å; R150-I152 HydrophobicContact CB-CG2 4.06Å; R150-I152 PolarHBondContact O-N 3.29Å
151N97.2Very high97.8Very high97 Ų9761.7 Ų61.752%0.51929%0.29SS..  trans63.232.9176.2-150.917.9000112.9D147 N149 K154D147-N151 PolarHBondContact OD1-N 2.93Å; D147-N151 PolarHBondContact OD2-N 2.73Å; N149-N151 PolarHBondContact O-N 3.38Å; N151-K154 WeakPolarHBondContact ND2-CE 3.28Å; N151-K154 PolarHBondContact ND2-NZ 2.87Å; N151-K154 WeakPolarHBondContact O-CE 2.96Å; N151-K154 WeakPolarHBondContact OD1-CE 3.24Å; N151-K154 VanDerWaalsContact OD1-CG 3.31Å; N151-K154 WeakPolarHBondContact OD1-CG 3.18Å
152I98.4Very high97.8Very high35 Ų3561.4 Ų61.418%0.17929%0.286CS..  trans-96-24.4-178.359.3170.4000112.2L119 L128 D147 R150L119-I152 HydrophobicContact CB-CD1 4.16Å; L128-I152 HydrophobicContact CD1-CB 4.49Å; L128-I152 HydrophobicContact CD1-CD1 4.25Å; D147-I152 VanDerWaalsContact OD1-CG1 3.26Å; D147-I152 WeakPolarHBondContact OD1-CG1 3.37Å; D147-I152 PolarHBondContact OD1-N 2.96Å; R150-I152 VanDerWaalsContact C-N 3.26Å; R150-I152 HydrophobicContact CB-CD1 4.47Å; R150-I152 HydrophobicContact CB-CG1 4.16Å; R150-I152 HydrophobicContact CB-CG2 4.06Å; R150-I152 PolarHBondContact O-N 3.29Å
153L98.3Very high97.7Very high1 Ų165.5 Ų65.51%0.00531%0.311CS..  trans-105.850.5179.6-59.2-177000112L67 L119 L128 V130 A143 L146 D147 R156L67-L153 HydrophobicContact CD1-CD2 4.35Å; L119-L153 HydrophobicContact CD2-CD2 4.48Å; L128-L153 HydrophobicContact CB-CD2 3.77Å; L128-L153 HydrophobicContact CD1-CD2 4Å; V130-L153 HydrophobicContact CG2-CB 4.06Å; V130-L153 HydrophobicContact CG2-CD1 4.03Å; V130-L153 HydrophobicContact CG2-CD2 4.08Å; V130-L153 HydrophobicContact CG2-CG 4.27Å; A143-L153 HydrophobicContact CB-CD1 4.46Å; L146-L153 HydrophobicContact CB-CD1 4.17Å; D147-L153 HydrophobicContact CB-CB 4.31Å; D147-L153 HydrophobicContact CB-CD1 4.35Å; D147-L153 HydrophobicContact CB-CG 4.4Å; D147-L153 PolarHBondContact OD1-N 2.77Å; L153-R156 PolarHBondContact O-NE 3.38Å; L153-R156 PolarHBondContact O-NH2 2.57Å
154K96.9Very high97.5Very high140 Ų14070.8 Ų70.861%0.60934%0.339SS*.  trans-71.3-42.5-175.4-71.3177177.7175.70114.2N151N151-K154 WeakPolarHBondContact ND2-CE 3.28Å; N151-K154 PolarHBondContact ND2-NZ 2.87Å; N151-K154 WeakPolarHBondContact O-CE 2.96Å; N151-K154 WeakPolarHBondContact OD1-CE 3.24Å; N151-K154 VanDerWaalsContact OD1-CG 3.31Å; N151-K154 WeakPolarHBondContact OD1-CG 3.18Å
155R98.4Very high97.1Very high69 Ų6970 Ų7026%0.2633%0.334SS..EExtended strand (participates in β ladder)trans-90123-176.4-72.7175.462.6-172.5-1.8109E127 V129 V130 Y157 V176E127-R155 WeakPolarHBondContact OE1-CD 3.31Å; E127-R155 IonicContact OE1-CZ 3.02Å; E127-R155 IonicContact OE1-NE 3.79Å; E127-R155 IonicContact OE1-NH1 3.12Å; E127-R155 PolarHBondContact OE1-NH1 2.75Å; E127-R155 IonicContact OE2-NH1 3.7Å; V129-R155 WeakPolarHBondContact CA-O 3.16Å; V129-R155 HydrophobicContact CG1-CB 4.31Å; V129-R155 HydrophobicContact CG2-CB 3.96Å; V130-R155 PolarHBondContact N-O 2.98Å; R155-Y157 PolarHBondContact NH2-OH 2.76Å; R155-V176 VanDerWaalsContact NH2-CG1 3.32Å; R155-V176 PolarHBondContact NH2-O 3.41Å
156R98.6Very high96.6Very high54 Ų5471.6 Ų71.620%0.20435%0.348CS..EExtended strand (participates in β ladder)trans-139.8132.5-170.8-51.7-177.8-177.5173.8-3.3110.1V130 S140 D144 L153 Y158V130-R156 HydrophobicContact CB-CB 4.25Å; V130-R156 HydrophobicContact CB-CG 4.1Å; V130-R156 HydrophobicContact CG2-CG 4.39Å; V130-R156 CarbonylContact O-C 3.54Å; V130-R156 VanDerWaalsContact O-CA 3.32Å; V130-R156 WeakPolarHBondContact O-CA 3.46Å; S140-R156 PolarHBondContact O-NH1 3.2Å; D144-R156 IonicContact OD1-CZ 3.85Å; D144-R156 IonicContact OD1-NH1 3.58Å; D144-R156 PolarHBondContact OD1-NH1 3.42Å; D144-R156 IonicContact OD1-NH2 3.62Å; D144-R156 PolarHBondContact OD1-NH2 2.78Å; D144-R156 IonicContact OD2-NH1 3.69Å; L153-R156 PolarHBondContact O-NE 3.38Å; L153-R156 PolarHBondContact O-NH2 2.57Å; R156-Y158 HydrophobicContact CB-CE1 4.21Å; R156-Y158 HydrophobicContact CB-CE2 3.96Å; R156-Y158 WeakPolarHBondContact CB-OH 3.09Å; R156-Y158 WeakPolarHBondContact CD-OH 3.42Å
157Y98.7Very high96Very high39 Ų3975 Ų7515%0.15338%0.383CS..EExtended strand (participates in β ladder)trans-124.9132.7176.3-60.1-99.7000107.6V129 V130 F131 T132 R155 H161 V175 V176V129-Y157 HydrophobicContact CG1-CD2 3.59Å; V129-Y157 HydrophobicContact CG1-CE2 3.62Å; V130-Y157 PolarHBondContact O-N 2.72Å; F131-Y157 CarbonylContact C-O 3.56Å; F131-Y157 VanDerWaalsContact CA-O 3.29Å; F131-Y157 WeakPolarHBondContact CA-O 3.35Å; F131-Y157 HydrophobicContact CG-CG 4.45Å; T132-Y157 PolarHBondContact N-O 2.81Å; R155-Y157 PolarHBondContact NH2-OH 2.76Å; Y157-H161 HydrophobicContact CD1-CB 4.12Å; Y157-V175 HydrophobicContact CD1-CG2 4.14Å; Y157-V175 HydrophobicContact CE1-CG2 3.94Å; Y157-V175 PolarHBondContact OH-O 3.2Å; Y157-V176 HydrophobicContact CD2-CG2 4.16Å; Y157-V176 HydrophobicContact CE2-CB 4.47Å; Y157-V176 HydrophobicContact CE2-CG1 4.32Å; Y157-V176 HydrophobicContact CE2-CG2 3.86Å
158Y98.4Very high95.6Very high10 Ų1076.2 Ų76.24%0.03939%0.393CS..  trans-118.7-177.1-175.4-53.9-68.4000111T132 E136 S140 R156 Q160 H161T132-Y158 HydrophobicContact CG2-CD1 3.71Å; T132-Y158 HydrophobicContact CG2-CE1 4.36Å; T132-Y158 CarbonylContact O-C 3.32Å; T132-Y158 VanDerWaalsContact O-CA 3.29Å; T132-Y158 WeakPolarHBondContact O-CA 3.42Å; E136-Y158 HydrophobicContact CB-CD1 4.28Å; E136-Y158 HydrophobicContact CB-CD2 3.49Å; E136-Y158 VanDerWaalsContact CB-CD2 3.49Å; E136-Y158 HydrophobicContact CB-CE2 3.97Å; E136-Y158 HydrophobicContact CB-CG 3.65Å; E136-Y158 HydrophobicContact CG-CD2 3.48Å; E136-Y158 VanDerWaalsContact CG-CD2 3.48Å; E136-Y158 HydrophobicContact CG-CE2 3.44Å; E136-Y158 VanDerWaalsContact CG-CE2 3.44Å; E136-Y158 HydrophobicContact CG-CG 4.1Å; S140-Y158 VanDerWaalsContact CA-OH 3.28Å; S140-Y158 WeakPolarHBondContact CA-OH 3.34Å; S140-Y158 VanDerWaalsContact CB-OH 3.28Å; S140-Y158 WeakPolarHBondContact CB-OH 3.41Å; R156-Y158 HydrophobicContact CB-CE1 4.21Å; R156-Y158 HydrophobicContact CB-CE2 3.96Å; R156-Y158 WeakPolarHBondContact CB-OH 3.09Å; R156-Y158 WeakPolarHBondContact CD-OH 3.42Å; Y158-Q160 VanDerWaalsContact CB-OE1 3.29Å; Y158-Q160 PolarHBondContact O-N 3.28Å; Y158-H161 PolarHBondContact N-ND1 3Å; Y158-H161 WeakPolarHBondContact O-CB 3.28Å; Y158-H161 PolarHBondContact O-N 2.84Å; Y158-H161 PolarHBondContact O-ND1 3.2Å
159R97.6Very high95.6Very high79 Ų7974.8 Ų74.830%0.29838%0.379SS..G310 helixtrans-44.1-42.5-179-174173.8-66.3158.12114.8T132 A133 S134 M135 H161 C162 Y169T132-R159 PolarHBondContact O-N 2.87Å; A133-R159 WeakPolarHBondContact O-CB 3Å; A133-R159 VanDerWaalsContact O-CZ 3.27Å; A133-R159 PolarHBondContact O-NE 3.03Å; A133-R159 PolarHBondContact O-NH2 3.5Å; S134-R159 WeakPolarHBondContact O-CB 3.33Å; S134-R159 PolarHBondContact O-N 3.04Å; M135-R159 VanDerWaalsContact CG-NH1 3.3Å; M135-R159 HydrophobicContact SD-CB 4.32Å; M135-R159 PolarHBondContact SD-NH1 3.01Å; R159-H161 PolarHBondContact O-N 2.73Å; R159-H161 VanDerWaalsContact O-N 3.16Å; R159-C162 WeakPolarHBondContact O-CB 3.28Å; R159-C162 PolarHBondContact O-N 3.49Å; R159-Y169 HydrophobicContact CG-CD1 4Å; R159-Y169 HydrophobicContact CG-CE1 3.5Å
160Q97.1Very high95.7Very high103 Ų10367.8 Ų67.848%0.48134%0.342SS..G310 helixtrans-65.8-14.7-178.969.7-8819.300114.3E136 Y158E136-Q160 PolarHBondContact OE2-NE2 3.03Å; Y158-Q160 VanDerWaalsContact CB-OE1 3.29Å; Y158-Q160 PolarHBondContact O-N 3.28Å
161H97.9Very high95.7Very high80 Ų8063.8 Ų63.837%0.3733%0.327SS..G310 helixtrans-96-7.1175.8-49.890.8000112.5F131 Y157 Y158 R159F131-H161 HydrophobicContact CE2-CB 4.21Å; F131-H161 HydrophobicContact CZ-CB 4.4Å; Y157-H161 HydrophobicContact CD1-CB 4.12Å; Y158-H161 PolarHBondContact N-ND1 3Å; Y158-H161 WeakPolarHBondContact O-CB 3.28Å; Y158-H161 PolarHBondContact O-N 2.84Å; Y158-H161 PolarHBondContact O-ND1 3.2Å; R159-H161 PolarHBondContact O-N 2.73Å; R159-H161 VanDerWaalsContact O-N 3.16Å
162C97.8Very high95.7Very high17 Ų1761.4 Ų61.412%0.11531%0.314CS..SBendtrans-81.2151.7173.6-61.10000110.4R159 Y169 I170R159-C162 WeakPolarHBondContact O-CB 3.28Å; R159-C162 PolarHBondContact O-N 3.49Å; C162-Y169 HydrophobicContact CB-CD1 3.81Å; C162-Y169 HydrophobicContact CB-CG 4.28Å; C162-I170 CarbonylContact C-O 3.52Å; C162-I170 VanDerWaalsContact CA-O 3.27Å; C162-I170 WeakPolarHBondContact CA-O 3.32Å; C162-I170 WeakPolarHBondContact CB-O 3.31Å
163T96.4Very high95.7Very high86 Ų8659.7 Ų59.753%0.52831%0.305SS..EExtended strand (participates in β ladder)trans-90.6123.7165.5-60.20000108.8D165 I170T163-D165 PolarHBondContact O-N 3.45Å; T163-I170 PolarHBondContact N-O 2.91Å; T163-I170 PolarHBondContact O-N 3.14Å
164L94.7Very high95.6Very high110 Ų11062.4 Ų62.458%0.57632%0.324SS*.EExtended strand (participates in β ladder)trans-82.5115.1174.6-178.764.9000109.2Y169L164-Y169 HydrophobicContact CB-CD1 4.46Å; L164-Y169 HydrophobicContact CB-CE1 4.33Å; L164-Y169 HydrophobicContact CD1-CD1 4.16Å; L164-Y169 HydrophobicContact CD1-CE1 3.96Å; L164-Y169 HydrophobicContact CD1-CE2 4.36Å; L164-Y169 HydrophobicContact CD1-CG 4.46Å
165D89.6Confident95.6Very high68 Ų6859 Ų5936%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-139.3129.2179.2176.446.8000110.5T163 G167 S168 I170 R194T163-D165 PolarHBondContact O-N 3.45Å; D165-G167 PolarHBondContact O-N 3.48Å; D165-G167 VanDerWaalsContact O-N 3.12Å; D165-S168 PolarHBondContact N-O 3.3Å; D165-S168 WeakPolarHBondContact O-CA 3.31Å; D165-S168 WeakPolarHBondContact O-CB 3.33Å; D165-S168 PolarHBondContact O-N 3.05Å; D165-S168 VanDerWaalsContact O-O 3.12Å; D165-I170 HydrophobicContact CB-CD1 3.59Å; D165-I170 HydrophobicContact CB-CG1 4.25Å; D165-R194 IonicContact OD2-NH1 3.61Å
166L85.7Confident95.6Very high150 Ų15056.2 Ų56.279%0.78531%0.305SS*.THydrogen-bonded Turntrans47.240.9-178.2-59.3174.2000113.6S168L166-S168 PolarHBondContact O-N 3.2Å
167G86.3Confident95.5Very high72 Ų7256.8 Ų56.874%0.74231%0.31SS*.THydrogen-bonded Turntrans735.8-179.300000115.1D165D165-G167 PolarHBondContact O-N 3.48Å; D165-G167 VanDerWaalsContact O-N 3.12Å
168S89.6Confident95.3Very high36 Ų3664.6 Ų64.625%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-110.1142.1176.1-61.10000110.9D165 L166 I170D165-S168 PolarHBondContact N-O 3.3Å; D165-S168 WeakPolarHBondContact O-CA 3.31Å; D165-S168 WeakPolarHBondContact O-CB 3.33Å; D165-S168 PolarHBondContact O-N 3.05Å; D165-S168 VanDerWaalsContact O-O 3.12Å; L166-S168 PolarHBondContact O-N 3.2Å; S168-I170 PolarHBondContact O-N 2.84Å
169Y96.8Very high95.2Very high82 Ų8266.6 Ų66.632%0.32236%0.356SS..EExtended strand (participates in β ladder)trans-87.7108.6172-71.5-77000109.6A133 R159 C162 L164 A192A133-Y169 HydrophobicContact CB-CD2 4.14Å; A133-Y169 HydrophobicContact CB-CG 4.1Å; R159-Y169 HydrophobicContact CG-CD1 4Å; R159-Y169 HydrophobicContact CG-CE1 3.5Å; C162-Y169 HydrophobicContact CB-CD1 3.81Å; C162-Y169 HydrophobicContact CB-CG 4.28Å; L164-Y169 HydrophobicContact CB-CD1 4.46Å; L164-Y169 HydrophobicContact CB-CE1 4.33Å; L164-Y169 HydrophobicContact CD1-CD1 4.16Å; L164-Y169 HydrophobicContact CD1-CE1 3.96Å; L164-Y169 HydrophobicContact CD1-CE2 4.36Å; L164-Y169 HydrophobicContact CD1-CG 4.46Å; Y169-A192 WeakPolarHBondContact O-CA 3.29Å
170I97.4Very high95.2Very high10 Ų1064.6 Ų64.65%0.05135%0.351CS..EExtended strand (participates in β ladder)trans-88.4133.1178.3-54.7-175.8000109.8C162 T163 D165 S168 S195C162-I170 CarbonylContact C-O 3.52Å; C162-I170 VanDerWaalsContact CA-O 3.27Å; C162-I170 WeakPolarHBondContact CA-O 3.32Å; C162-I170 WeakPolarHBondContact CB-O 3.31Å; T163-I170 PolarHBondContact N-O 2.91Å; T163-I170 PolarHBondContact O-N 3.14Å; D165-I170 HydrophobicContact CB-CD1 3.59Å; D165-I170 HydrophobicContact CB-CG1 4.25Å; S168-I170 PolarHBondContact O-N 2.84Å; I170-S195 VanDerWaalsContact CG2-OG 3.32Å; I170-S195 WeakPolarHBondContact CG2-OG 3.5Å
171K98.1Very high95.2Very high1 Ų160.6 Ų60.60%0.00434%0.335CS..  trans-101.297178.9-60.9177.6-174.2176.50109D68 F131 L173 I185 D187 A192D68-K171 VanDerWaalsContact CG-NZ 3.26Å; D68-K171 IonicContact OD1-NZ 3.73Å; D68-K171 PolarHBondContact OD1-NZ 3.04Å; F131-K171 HydrophobicContact CB-CD 4.31Å; F131-K171 HydrophobicContact CD1-CB 3.84Å; F131-K171 HydrophobicContact CD1-CD 4.38Å; F131-K171 HydrophobicContact CD1-CG 4.25Å; F131-K171 HydrophobicContact CD2-CB 4.32Å; F131-K171 HydrophobicContact CD2-CD 4Å; F131-K171 HydrophobicContact CD2-CG 3.88Å; F131-K171 HydrophobicContact CE1-CB 3.62Å; F131-K171 HydrophobicContact CE1-CG 4.23Å; F131-K171 HydrophobicContact CE2-CB 4.14Å; F131-K171 HydrophobicContact CE2-CD 4.49Å; F131-K171 HydrophobicContact CE2-CG 3.86Å; F131-K171 HydrophobicContact CG-CB 4.2Å; F131-K171 HydrophobicContact CG-CD 3.95Å; F131-K171 HydrophobicContact CG-CG 4.1Å; F131-K171 HydrophobicContact CZ-CB 3.79Å; F131-K171 HydrophobicContact CZ-CG 4.04Å; F131-K171 VanDerWaalsContact O-CE 3.26Å; F131-K171 WeakPolarHBondContact O-CE 3.15Å; F131-K171 PolarHBondContact O-NZ 3.14Å; K171-L173 PolarHBondContact O-N 2.62Å; K171-I185 HydrophobicContact CB-CD1 4.25Å; K171-I185 HydrophobicContact CD-CD1 3.9Å; K171-D187 WeakPolarHBondContact CE-OD2 3.44Å; K171-D187 IonicContact NZ-OD2 2.73Å; K171-D187 PolarHBondContact NZ-OD2 3.29Å; K171-A192 WeakPolarHBondContact CB-O 3.42Å; K171-A192 HydrophobicContact CD-CB 4.08Å; K171-A192 HydrophobicContact CG-CB 4.33Å; K171-A192 PolarHBondContact N-O 2.95Å
172D97.1Very high95.1Very high47 Ų4757.2 Ų57.225%0.25132%0.32SS..  trans-74112.3176-179.79000110.3S174 V175 H196D172-S174 PolarHBondContact O-N 3.15Å; D172-S174 VanDerWaalsContact OD1-CB 3.28Å; D172-S174 WeakPolarHBondContact OD1-CB 3.26Å; D172-S174 PolarHBondContact OD1-N 3.17Å; D172-S174 PolarHBondContact OD1-OG 3.23Å; D172-S174 VanDerWaalsContact OD1-OG 3.07Å; D172-S174 PolarHBondContact OD2-OG 3.11Å; D172-V175 HydrophobicContact CB-CG1 4.2Å; D172-V175 WeakPolarHBondContact O-CG2 3.42Å; D172-V175 PolarHBondContact O-N 2.85Å; D172-H196 IonicContact OD1-CD2 3.61Å; D172-H196 IonicContact OD1-CE1 2.72Å; D172-H196 IonicContact OD1-NE2 3.51Å; D172-H196 PolarHBondContact OD1-NE2 3.16Å
173L98.2Very high95.1Very high0 Ų056.4 Ų56.40%032%0.315CS..G310 helixtrans-68.6-19-179.6-61.3-173.3000113.2V66 K171 V175 V176 H177 L180 I183 I185 H196 N199V66-L173 HydrophobicContact CG1-CD2 4.49Å; V66-L173 HydrophobicContact CG2-CD2 4.19Å; K171-L173 PolarHBondContact O-N 2.62Å; L173-V175 PolarHBondContact O-N 2.98Å; L173-V176 WeakPolarHBondContact O-CB 3.16Å; L173-V176 PolarHBondContact O-N 2.85Å; L173-H177 PolarHBondContact O-N 3.28Å; L173-L180 HydrophobicContact CB-CD2 3.99Å; L173-I183 HydrophobicContact CB-CD1 4.11Å; L173-I183 HydrophobicContact CB-CG2 4.36Å; L173-I183 HydrophobicContact CD1-CG1 4.47Å; L173-I183 HydrophobicContact CD1-CG2 4.12Å; L173-I183 HydrophobicContact CD2-CD1 4.34Å; L173-I185 HydrophobicContact CD1-CB 4.21Å; L173-I185 HydrophobicContact CD1-CG2 3.92Å; L173-I185 HydrophobicContact CD2-CB 4.07Å; L173-I185 HydrophobicContact CD2-CD1 4.09Å; L173-I185 HydrophobicContact CD2-CG2 4.44Å; L173-H196 HydrophobicContact CD1-CB 3.77Å; L173-H196 HydrophobicContact CG-CB 4.11Å; L173-H196 PolarHBondContact N-CD2 2.63Å; L173-H196 VanDerWaalsContact N-CD2 3.29Å; L173-H196 PolarHBondContact N-NE2 2.6Å; L173-N199 HydrophobicContact CD1-CB 3.56Å
174S96.8Very high95.2Very high58 Ų5852.3 Ų52.341%0.40629%0.29SS..G310 helixtrans-63.6-26.3179.185.80000112.7D172 V176D172-S174 PolarHBondContact O-N 3.15Å; D172-S174 VanDerWaalsContact OD1-CB 3.28Å; D172-S174 WeakPolarHBondContact OD1-CB 3.26Å; D172-S174 PolarHBondContact OD1-N 3.17Å; D172-S174 PolarHBondContact OD1-OG 3.23Å; D172-S174 VanDerWaalsContact OD1-OG 3.07Å; D172-S174 PolarHBondContact OD2-OG 3.11Å; S174-V176 VanDerWaalsContact C-N 3.28Å; S174-V176 PolarHBondContact O-N 3.41Å
175V96.3Very high95.4Very high69 Ų6947 Ų4742%0.41826%0.262SS..G310 helixtrans-74.8-20.5175.8-43.10000112.5F131 Y157 D172 L173F131-V175 HydrophobicContact CE1-CG2 4.25Å; Y157-V175 HydrophobicContact CD1-CG2 4.14Å; Y157-V175 HydrophobicContact CE1-CG2 3.94Å; Y157-V175 PolarHBondContact OH-O 3.2Å; D172-V175 HydrophobicContact CB-CG1 4.2Å; D172-V175 WeakPolarHBondContact O-CG2 3.42Å; D172-V175 PolarHBondContact O-N 2.85Å; L173-V175 PolarHBondContact O-N 2.98Å
176V97.5Very high95.8Very high9 Ų943.9 Ų43.96%0.05525%0.245CC..THydrogen-bonded Turntrans-87.7-47.2177.1-176.80000109.5I64 V66 V129 F131 R155 Y157 L173 S174 I183I64-V176 HydrophobicContact CG2-CG1 4.2Å; V66-V176 HydrophobicContact CG2-CG1 4.16Å; V129-V176 HydrophobicContact CB-CG1 4.4Å; V129-V176 HydrophobicContact CG1-CG1 4.03Å; V129-V176 HydrophobicContact CG2-CG1 4.04Å; F131-V176 HydrophobicContact CD1-CG2 4Å; F131-V176 HydrophobicContact CE1-CG2 4.18Å; R155-V176 VanDerWaalsContact NH2-CG1 3.32Å; R155-V176 PolarHBondContact NH2-O 3.41Å; Y157-V176 HydrophobicContact CD2-CG2 4.16Å; Y157-V176 HydrophobicContact CE2-CB 4.47Å; Y157-V176 HydrophobicContact CE2-CG1 4.32Å; Y157-V176 HydrophobicContact CE2-CG2 3.86Å; L173-V176 WeakPolarHBondContact O-CB 3.16Å; L173-V176 PolarHBondContact O-N 2.85Å; S174-V176 VanDerWaalsContact C-N 3.28Å; S174-V176 PolarHBondContact O-N 3.41Å; V176-I183 HydrophobicContact CB-CD1 3.66Å; V176-I183 HydrophobicContact CG1-CD1 3.61Å
177H97Very high96.4Very high67 Ų6736.8 Ų36.831%0.3121%0.208SC..  trans-156.1140.2-179.8-162.2-110.1000111.7I64 L173 D179 I183I64-H177 HydrophobicContact CD1-CB 3.66Å; L173-H177 PolarHBondContact O-N 3.28Å; H177-D179 PolarHBondContact ND1-N 2.87Å; H177-D179 PolarHBondContact ND1-O 3.32Å; H177-I183 HydrophobicContact CB-CD1 4.19Å
178K95.4Very high96.9Very high202 Ų20235 Ų3588%0.87818%0.181SC*.SBendtrans-71.1-35.8-179.5-67.9-174.4177.8-177.50113L180K178-L180 PolarHBondContact O-N 3.16Å
179D96.3Very high97.2Very high52 Ų5235.8 Ų35.828%0.27819%0.187SC..  trans-86.7101.5178.5169.530.2000109.5H177 S181 S182H177-D179 PolarHBondContact ND1-N 2.87Å; H177-D179 PolarHBondContact ND1-O 3.32Å; D179-S181 PolarHBondContact O-N 2.71Å; D179-S181 VanDerWaalsContact OD1-CB 3.25Å; D179-S181 WeakPolarHBondContact OD1-CB 3.19Å; D179-S181 PolarHBondContact OD1-N 3.22Å; D179-S181 PolarHBondContact OD1-OG 2.81Å; D179-S181 PolarHBondContact OD2-OG 2.91Å; D179-S182 PolarHBondContact O-OG 3.13Å; D179-S182 VanDerWaalsContact O-OG 3.12Å; D179-S182 PolarHBondContact OD2-OG 3.28Å
180L97.3Very high97Very high37 Ų3734.4 Ų34.419%0.19419%0.188CC..G310 helixtrans-74.6-9.9178.5-62.8178.8000112.9L173 K178 S182 I183 N199L173-L180 HydrophobicContact CB-CD2 3.99Å; K178-L180 PolarHBondContact O-N 3.16Å; L180-S182 PolarHBondContact O-N 2.74Å; L180-I183 HydrophobicContact CB-CG2 4.41Å; L180-I183 HydrophobicContact CD2-CG2 3.78Å; L180-N199 PolarHBondContact O-ND2 3.11Å
181S97Very high96.8Very high20 Ų2034.4 Ų34.414%0.1419%0.191CC..G310 helixtrans-71.2-16.1176.595.80000112.3D179 A229 D230 I231D179-S181 PolarHBondContact O-N 2.71Å; D179-S181 VanDerWaalsContact OD1-CB 3.25Å; D179-S181 WeakPolarHBondContact OD1-CB 3.19Å; D179-S181 PolarHBondContact OD1-N 3.22Å; D179-S181 PolarHBondContact OD1-OG 2.81Å; D179-S181 PolarHBondContact OD2-OG 2.91Å; S181-A229 PolarHBondContact OG-O 3Å; S181-A229 VanDerWaalsContact OG-O 3.06Å; S181-D230 WeakPolarHBondContact CA-OD1 3.35Å; S181-D230 VanDerWaalsContact CB-CG 3.47Å; S181-D230 WeakPolarHBondContact O-CA 3.37Å; S181-I231 WeakPolarHBondContact O-CG1 3.21Å; S181-I231 PolarHBondContact O-N 3.43Å
182S96.6Very high96.7Very high8 Ų834.6 Ų34.66%0.05619%0.193CC..G310 helixtrans-119.310.4-172.2550000114.5K63 I64 D179 L180K63-S182 CarbonylContact C-O 3.57Å; K63-S182 VanDerWaalsContact CA-O 3.29Å; K63-S182 WeakPolarHBondContact CA-O 3.4Å; K63-S182 VanDerWaalsContact CB-O 3.29Å; K63-S182 WeakPolarHBondContact CB-O 3.28Å; I64-S182 PolarHBondContact N-O 3.31Å; D179-S182 PolarHBondContact O-OG 3.13Å; D179-S182 VanDerWaalsContact O-OG 3.12Å; D179-S182 PolarHBondContact OD2-OG 3.28Å; L180-S182 PolarHBondContact O-N 2.74Å
183I97.9Very high96.6Very high0 Ų032.7 Ų32.70%018%0.182CC..EExtended strand (participates in β ladder)trans-117.7136.8178.2-166.8161.7000111.6I64 V66 L173 V176 H177 L180 N199 I231I64-I183 HydrophobicContact CB-CG1 4.15Å; I64-I183 HydrophobicContact CG2-CD1 4.24Å; I64-I183 HydrophobicContact CG2-CG1 4.12Å; I64-I183 WeakPolarHBondContact O-CA 3.45Å; V66-I183 HydrophobicContact CG2-CD1 3.73Å; V66-I183 HydrophobicContact CG2-CG1 3.81Å; L173-I183 HydrophobicContact CB-CD1 4.11Å; L173-I183 HydrophobicContact CB-CG2 4.36Å; L173-I183 HydrophobicContact CD1-CG1 4.47Å; L173-I183 HydrophobicContact CD1-CG2 4.12Å; L173-I183 HydrophobicContact CD2-CD1 4.34Å; V176-I183 HydrophobicContact CB-CD1 3.66Å; V176-I183 HydrophobicContact CG1-CD1 3.61Å; H177-I183 HydrophobicContact CB-CD1 4.19Å; L180-I183 HydrophobicContact CB-CG2 4.41Å; L180-I183 HydrophobicContact CD2-CG2 3.78Å; I183-N199 WeakPolarHBondContact CG2-ND2 3.21Å; I183-N199 PolarHBondContact O-ND2 3.1Å; I183-I231 VanDerWaalsContact O-CD1 3.26Å; I183-I231 WeakPolarHBondContact O-CD1 3.29Å; I183-I231 WeakPolarHBondContact O-CG1 3.37Å
184V98.3Very high96.4Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-127.9136.3176.7-176.50000108.2I64 L65 V66 N199 I201 I231 L235I64-V184 PolarHBondContact O-N 3.49Å; L65-V184 HydrophobicContact CD1-CB 4.06Å; L65-V184 HydrophobicContact CD1-CG1 4.06Å; V66-V184 PolarHBondContact N-O 3.34Å; V184-N199 CarbonylContact C-O 3.57Å; V184-N199 WeakPolarHBondContact CA-O 3.5Å; V184-I201 HydrophobicContact CG1-CD1 3.44Å; V184-I201 VanDerWaalsContact CG1-CD1 3.44Å; V184-I201 HydrophobicContact CG1-CG1 3.78Å; V184-I231 HydrophobicContact CG2-CB 4.09Å; V184-I231 HydrophobicContact CG2-CD1 4.06Å; V184-I231 HydrophobicContact CG2-CG1 4Å; V184-I231 HydrophobicContact CG2-CG2 3.96Å; V184-L235 HydrophobicContact CG1-CD1 4.04Å; V184-L235 HydrophobicContact CG2-CD1 4.44Å
185I98.5Very high96.2Very high0 Ų038.6 Ų38.60%021%0.206CC..EExtended strand (participates in β ladder)trans-110.3130.3171.9-176.6168.1000111.1V66 K171 L173 D187 Y193 N199 A200 I201V66-I185 HydrophobicContact CB-CB 4.13Å; V66-I185 HydrophobicContact CB-CG1 4.17Å; V66-I185 HydrophobicContact CG1-CB 4.48Å; V66-I185 HydrophobicContact CG1-CD1 4.15Å; V66-I185 HydrophobicContact CG1-CG1 4.04Å; V66-I185 WeakPolarHBondContact O-CA 3.08Å; K171-I185 HydrophobicContact CB-CD1 4.25Å; K171-I185 HydrophobicContact CD-CD1 3.9Å; L173-I185 HydrophobicContact CD1-CB 4.21Å; L173-I185 HydrophobicContact CD1-CG2 3.92Å; L173-I185 HydrophobicContact CD2-CB 4.07Å; L173-I185 HydrophobicContact CD2-CD1 4.09Å; L173-I185 HydrophobicContact CD2-CG2 4.44Å; I185-D187 HydrophobicContact CD1-CB 4.32Å; I185-D187 HydrophobicContact CG1-CB 4.13Å; I185-Y193 HydrophobicContact CG2-CG 4.48Å; I185-N199 PolarHBondContact N-O 3.34Å; I185-A200 HydrophobicContact CG2-CB 3.84Å; I185-A200 CarbonylContact O-C 3.5Å; I185-A200 WeakPolarHBondContact O-CA 3.39Å; I185-I201 PolarHBondContact O-N 3.19Å
186L98.6Very high96.1Very high1 Ų136.5 Ų36.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-106.1113.8171.2178.663.2000109.1L65 V66 L67 D68 T72 F118 I201 I203 L215 L218L65-L186 HydrophobicContact CD1-CB 4.47Å; V66-L186 PolarHBondContact O-N 3.49Å; L67-L186 HydrophobicContact CD2-CB 4.16Å; L67-L186 HydrophobicContact CD2-CD2 3.98Å; D68-L186 PolarHBondContact N-O 2.79Å; D68-L186 VanDerWaalsContact N-O 3.08Å; T72-L186 HydrophobicContact CG2-CD2 4.41Å; T72-L186 HydrophobicContact CG2-CG 4.13Å; F118-L186 HydrophobicContact CE1-CD2 4.37Å; F118-L186 HydrophobicContact CZ-CD2 3.92Å; L186-I201 HydrophobicContact CD1-CB 4.13Å; L186-I201 HydrophobicContact CD1-CG2 3.82Å; L186-I201 WeakPolarHBondContact CD1-O 3.49Å; L186-I203 HydrophobicContact CD1-CB 3.69Å; L186-I203 HydrophobicContact CD1-CD1 4.15Å; L186-I203 HydrophobicContact CD1-CG1 4.47Å; L186-I203 HydrophobicContact CD1-CG2 3.74Å; L186-I203 HydrophobicContact CG-CG2 4.19Å; L186-L215 HydrophobicContact CD2-CD2 4.1Å; L186-L218 HydrophobicContact CD1-CD1 3.51Å; L186-L218 HydrophobicContact CD2-CD1 3.94Å; L186-L218 HydrophobicContact CG-CD1 4.41Å
187D98.1Very high96Very high2 Ų238.6 Ų38.61%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-155.3143.2-172.7-161.4-53.3000110.7D68 K171 I185 S189 A192 Y193 I201 I203D68-D187 HydrophobicContact CB-CB 4.17Å; K171-D187 WeakPolarHBondContact CE-OD2 3.44Å; K171-D187 IonicContact NZ-OD2 2.73Å; K171-D187 PolarHBondContact NZ-OD2 3.29Å; I185-D187 HydrophobicContact CD1-CB 4.32Å; I185-D187 HydrophobicContact CG1-CB 4.13Å; D187-S189 WeakPolarHBondContact OD1-CB 3.34Å; D187-S189 PolarHBondContact OD1-N 3.42Å; D187-A192 VanDerWaalsContact OD2-CB 3.26Å; D187-A192 WeakPolarHBondContact OD2-CB 3.45Å; D187-Y193 HydrophobicContact CB-CD1 3.79Å; D187-Y193 HydrophobicContact CB-CE1 4.03Å; D187-I201 PolarHBondContact N-O 3.01Å; D187-I203 PolarHBondContact O-N 2.81Å
188N96.6Very high95.9Very high33 Ų3338.3 Ų38.318%0.17621%0.206CC..SBendtrans-85.7-12.9179.669.6-55.5000114D68 E71 T72 I203 S205D68-N188 PolarHBondContact OD2-OD1 3.05Å; E71-N188 WeakPolarHBondContact CB-ND2 3.29Å; T72-N188 PolarHBondContact OG1-N 3.49Å; T72-N188 PolarHBondContact OG1-OD1 2.88Å; T72-N188 VanDerWaalsContact OG1-OD1 3.14Å; N188-I203 WeakPolarHBondContact CA-O 3.07Å; N188-I203 HydrophobicContact CB-CG2 4.17Å; N188-I203 VanDerWaalsContact CB-O 3.24Å; N188-I203 WeakPolarHBondContact CB-O 3.29Å; N188-S205 PolarHBondContact ND2-OG 3.3Å
189S94.8Very high96Very high53 Ų5328.9 Ų28.937%0.37117%0.165SC..  trans-107111.8-176.6-177.60000111.9D187 G191 A192 Y193D187-S189 WeakPolarHBondContact OD1-CB 3.34Å; D187-S189 PolarHBondContact OD1-N 3.42Å; S189-G191 PolarHBondContact O-N 3.12Å; S189-G191 VanDerWaalsContact O-N 3.13Å; S189-A192 WeakPolarHBondContact O-CB 3.32Å; S189-A192 PolarHBondContact O-N 3.17Å; S189-Y193 WeakPolarHBondContact O-CD1 3.38Å; S189-Y193 WeakPolarHBondContact O-CE1 3.35Å
190P93.2Very high96Very high54 Ų5426.6 Ų26.635%0.35115%0.153SC..THydrogen-bonded Turntrans-55.5-29.8174.6-26.334.9000114.8A192 Y193 R194P190-A192 VanDerWaalsContact C-N 3.26Å; P190-A192 PolarHBondContact O-N 2.98Å; P190-Y193 VanDerWaalsContact CA-CZ 3.43Å; P190-Y193 HydrophobicContact CB-CE2 4.37Å; P190-R194 PolarHBondContact O-N 2.88Å
191G93.7Very high95.9Very high10 Ų1025.1 Ų25.110%0.10315%0.146CC..THydrogen-bonded Turntrans-64.1-31175.400000113.1S189S189-G191 PolarHBondContact O-N 3.12Å; S189-G191 VanDerWaalsContact O-N 3.13Å
192A96.2Very high95.8Very high5 Ų526.3 Ų26.34%0.04115%0.153CC..THydrogen-bonded Turntrans-69.9-37.7-175.500000112.6Y169 K171 D187 S189 P190Y169-A192 WeakPolarHBondContact O-CA 3.29Å; K171-A192 WeakPolarHBondContact CB-O 3.42Å; K171-A192 HydrophobicContact CD-CB 4.08Å; K171-A192 HydrophobicContact CG-CB 4.33Å; K171-A192 PolarHBondContact N-O 2.95Å; D187-A192 VanDerWaalsContact OD2-CB 3.26Å; D187-A192 WeakPolarHBondContact OD2-CB 3.45Å; S189-A192 WeakPolarHBondContact O-CB 3.32Å; S189-A192 PolarHBondContact O-N 3.17Å; P190-A192 VanDerWaalsContact C-N 3.26Å; P190-A192 PolarHBondContact O-N 2.98Å
193Y94.9Very high95.8Very high6 Ų626.6 Ų26.62%0.02415%0.153CC..THydrogen-bonded Turntrans-104.819.8179.552.4-99.5000113.4I185 D187 S189 P190 S195 H196 A200 H242I185-Y193 HydrophobicContact CG2-CG 4.48Å; D187-Y193 HydrophobicContact CB-CD1 3.79Å; D187-Y193 HydrophobicContact CB-CE1 4.03Å; S189-Y193 WeakPolarHBondContact O-CD1 3.38Å; S189-Y193 WeakPolarHBondContact O-CE1 3.35Å; P190-Y193 VanDerWaalsContact CA-CZ 3.43Å; P190-Y193 HydrophobicContact CB-CE2 4.37Å; Y193-S195 PolarHBondContact O-N 2.74Å; Y193-S195 VanDerWaalsContact O-N 3.09Å; Y193-H196 CarbonylContact O-C 3.22Å; Y193-H196 VanDerWaalsContact O-C 3.22Å; Y193-H196 PolarHBondContact O-N 3.17Å; Y193-A200 HydrophobicContact CD1-CB 3.95Å; Y193-A200 HydrophobicContact CD2-CB 3.3Å; Y193-A200 HydrophobicContact CE1-CB 4.23Å; Y193-A200 HydrophobicContact CE2-CB 3.63Å; Y193-A200 HydrophobicContact CG-CB 3.45Å; Y193-A200 VanDerWaalsContact CG-CB 3.45Å; Y193-H242 AromaticContact CE2-CE1 3.91Å; Y193-H242 AromaticContact CE2-ND1 3.77Å
194R92.7Very high95.6Very high114 Ų11431.1 Ų31.143%0.4317%0.173SC..THydrogen-bonded Turntrans-53.1-34-177.6-176.5-176.3-68.21531113.6D165 P190 H196D165-R194 IonicContact OD2-NH1 3.61Å; P190-R194 PolarHBondContact O-N 2.88Å; R194-H196 VanDerWaalsContact C-N 3.33Å
195S93.3Very high95.5Very high68 Ų6833.6 Ų33.648%0.47619%0.19SC..THydrogen-bonded Turntrans-75-20.4178.2-58.50000114.1I170 Y193I170-S195 VanDerWaalsContact CG2-OG 3.32Å; I170-S195 WeakPolarHBondContact CG2-OG 3.5Å; Y193-S195 PolarHBondContact O-N 2.74Å; Y193-S195 VanDerWaalsContact O-N 3.09Å
196H95.2Very high95.3Very high26 Ų2634 Ų3412%0.1219%0.192CC..  trans-139.156.8-174.7-56.9-78.2000111.7D172 L173 Y193 R194 D198 N199D172-H196 IonicContact OD1-CD2 3.61Å; D172-H196 IonicContact OD1-CE1 2.72Å; D172-H196 IonicContact OD1-NE2 3.51Å; D172-H196 PolarHBondContact OD1-NE2 3.16Å; L173-H196 HydrophobicContact CD1-CB 3.77Å; L173-H196 HydrophobicContact CG-CB 4.11Å; L173-H196 PolarHBondContact N-CD2 2.63Å; L173-H196 VanDerWaalsContact N-CD2 3.29Å; L173-H196 PolarHBondContact N-NE2 2.6Å; Y193-H196 CarbonylContact O-C 3.22Å; Y193-H196 VanDerWaalsContact O-C 3.22Å; Y193-H196 PolarHBondContact O-N 3.17Å; R194-H196 VanDerWaalsContact C-N 3.33Å; H196-D198 VanDerWaalsContact C-N 3.26Å; H196-D198 PolarHBondContact O-N 2.92Å; H196-N199 HydrophobicContact CB-CB 4.15Å; H196-N199 WeakPolarHBondContact O-CB 3.48Å; H196-N199 PolarHBondContact O-N 3.2Å; H196-N199 VanDerWaalsContact O-N 3.1Å
197P94.4Very high94.9Very high52 Ų5237.7 Ų37.734%0.33821%0.208SC..G310 helixtrans-62.4-33.4-174.626.1-34.5000112.7N199 A200P197-N199 PolarHBondContact O-N 2.95Å; P197-A200 WeakPolarHBondContact O-CB 3.17Å; P197-A200 PolarHBondContact O-N 3.02Å; P197-A200 VanDerWaalsContact O-N 3.09Å
198D95.3Very high94.3Very high61 Ų6139.6 Ų39.633%0.32622%0.221SC..G310 helixtrans-70.3-11.5179.3-59.2-41000113.8H196 R232 L235 L239H196-D198 VanDerWaalsContact C-N 3.26Å; H196-D198 PolarHBondContact O-N 2.92Å; D198-R232 HydrophobicContact CB-CB 4.22Å; D198-R232 HydrophobicContact CB-CG 4.13Å; D198-L235 WeakPolarHBondContact O-CB 3.46Å; D198-L239 WeakPolarHBondContact OD1-CD1 3.33Å
199N97.1Very high93.9Very high4 Ų440.9 Ų40.92%0.02123%0.229CC..G310 helixtrans-98.4-2.9176.1-70.282.5000112.4L173 L180 I183 V184 I185 H196 P197 I231 R232L173-N199 HydrophobicContact CD1-CB 3.56Å; L180-N199 PolarHBondContact O-ND2 3.11Å; I183-N199 WeakPolarHBondContact CG2-ND2 3.21Å; I183-N199 PolarHBondContact O-ND2 3.1Å; V184-N199 CarbonylContact C-O 3.57Å; V184-N199 WeakPolarHBondContact CA-O 3.5Å; I185-N199 PolarHBondContact N-O 3.34Å; H196-N199 HydrophobicContact CB-CB 4.15Å; H196-N199 WeakPolarHBondContact O-CB 3.48Å; H196-N199 PolarHBondContact O-N 3.2Å; H196-N199 VanDerWaalsContact O-N 3.1Å; P197-N199 PolarHBondContact O-N 2.95Å; N199-I231 HydrophobicContact CB-CD1 4.36Å; N199-R232 WeakPolarHBondContact OD1-CD 3.3Å
200A96.3Very high93.3Very high4 Ų440.6 Ų40.63%0.03323%0.225CC..EExtended strand (participates in β ladder)trans-95.6140.4-170.600000112.8I185 Y193 P197I185-A200 HydrophobicContact CG2-CB 3.84Å; I185-A200 CarbonylContact O-C 3.5Å; I185-A200 WeakPolarHBondContact O-CA 3.39Å; Y193-A200 HydrophobicContact CD1-CB 3.95Å; Y193-A200 HydrophobicContact CD2-CB 3.3Å; Y193-A200 HydrophobicContact CE1-CB 4.23Å; Y193-A200 HydrophobicContact CE2-CB 3.63Å; Y193-A200 HydrophobicContact CG-CB 3.45Å; Y193-A200 VanDerWaalsContact CG-CB 3.45Å; P197-A200 WeakPolarHBondContact O-CB 3.17Å; P197-A200 PolarHBondContact O-N 3.02Å; P197-A200 VanDerWaalsContact O-N 3.09Å
201I96.3Very high93Very high7 Ų741.9 Ų41.94%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-107.6105.1160.4-64.6169.8000106.1V184 I185 L186 D187 L218 M221 L222 L225 L235V184-I201 HydrophobicContact CG1-CD1 3.44Å; V184-I201 VanDerWaalsContact CG1-CD1 3.44Å; V184-I201 HydrophobicContact CG1-CG1 3.78Å; I185-I201 PolarHBondContact O-N 3.19Å; L186-I201 HydrophobicContact CD1-CB 4.13Å; L186-I201 HydrophobicContact CD1-CG2 3.82Å; L186-I201 WeakPolarHBondContact CD1-O 3.49Å; D187-I201 PolarHBondContact N-O 3.01Å; I201-L218 HydrophobicContact CG2-CD1 4.3Å; I201-L218 HydrophobicContact CG2-CD2 3.68Å; I201-M221 HydrophobicContact CD1-CE 3.58Å; I201-M221 HydrophobicContact CD1-SD 4.4Å; I201-M221 HydrophobicContact CG1-CE 4.04Å; I201-M221 HydrophobicContact CG2-CE 3.85Å; I201-L222 HydrophobicContact CD1-CD2 3.66Å; I201-L225 HydrophobicContact CD1-CD1 4.28Å; I201-L235 HydrophobicContact CD1-CD2 4.47Å; I201-L235 HydrophobicContact CG1-CD1 4.16Å; I201-L235 HydrophobicContact CG1-CD2 3.91Å
202P94.9Very high92.9Very high44 Ų4441.5 Ų41.529%0.28623%0.231SC..EExtended strand (participates in β ladder)trans-63.3139.7171.8-2133.9000110.2H242P202-H242 WeakPolarHBondContact CG-CE1 3.41Å; P202-H242 VanDerWaalsContact CG-ND1 3.25Å; P202-H242 WeakPolarHBondContact CG-ND1 3.34Å
203I95.3Very high92.7Very high14 Ų1443.4 Ų43.47%0.07224%0.243CC..  trans-131.3142.6171.9-169.8172.4000110.2T72 R112 L186 D187 N188 S205 A214 L215 L218T72-I203 HydrophobicContact CG2-CG2 4.06Å; R112-I203 VanDerWaalsContact NH1-CD1 3.26Å; L186-I203 HydrophobicContact CD1-CB 3.69Å; L186-I203 HydrophobicContact CD1-CD1 4.15Å; L186-I203 HydrophobicContact CD1-CG1 4.47Å; L186-I203 HydrophobicContact CD1-CG2 3.74Å; L186-I203 HydrophobicContact CG-CG2 4.19Å; D187-I203 PolarHBondContact O-N 2.81Å; N188-I203 WeakPolarHBondContact CA-O 3.07Å; N188-I203 HydrophobicContact CB-CG2 4.17Å; N188-I203 VanDerWaalsContact CB-O 3.24Å; N188-I203 WeakPolarHBondContact CB-O 3.29Å; I203-S205 PolarHBondContact O-N 3.47Å; I203-A214 HydrophobicContact CD1-CB 3.99Å; I203-A214 HydrophobicContact CG1-CB 4.07Å; I203-L215 HydrophobicContact CD1-CD2 3.67Å; I203-L215 HydrophobicContact CD1-CG 4.42Å; I203-L218 HydrophobicContact CD1-CD1 3.91Å
204K94.2Very high92.7Very high96 Ų9643.8 Ų43.842%0.41725%0.247SC..  trans-61.9137.7175.869.7-179.1-169.9169.10110.3R112 W206 D212 A214R112-K204 PolarHBondContact NH1-O 2.91Å; R112-K204 PolarHBondContact NH2-O 3.37Å; K204-W206 PolarHBondContact O-N 2.87Å; K204-D212 WeakPolarHBondContact CE-OD2 3.26Å; K204-D212 IonicContact NZ-OD2 3.85Å; K204-D212 PolarHBondContact NZ-OD2 3.46Å; K204-D212 VanDerWaalsContact NZ-OD2 3.12Å; K204-A214 HydrophobicContact CG-CB 4.41Å
205S96Very high92.8Very high52 Ų5238.4 Ų38.436%0.36423%0.226SC..  trans-55.9135.8170.8-60.50000110.3E71 N188 I203E71-S205 WeakPolarHBondContact O-CA 2.81Å; N188-S205 PolarHBondContact ND2-OG 3.3Å; I203-S205 PolarHBondContact O-N 3.47Å
206W94.8Very high92.8Very high7 Ų735.4 Ų35.43%0.02721%0.205CC..  trans-118.3136.1178-179.985.1000111.6E71 H75 H110 K111 R112 P113 K204 D209 D212E71-W206 PolarHBondContact O-N 3.34Å; H75-W206 HydrophobicContact CB-CE3 3.78Å; H75-W206 HydrophobicContact CB-CZ3 3.63Å; H110-W206 HydrophobicContact CB-CH2 3.86Å; H110-W206 HydrophobicContact CB-CZ3 4.1Å; H110-W206 WeakPolarHBondContact O-CZ3 3.5Å; K111-W206 VanDerWaalsContact C-CH2 3.43Å; K111-W206 WeakPolarHBondContact O-CH2 2.96Å; R112-W206 HydrophobicContact CB-CD2 3.81Å; R112-W206 HydrophobicContact CB-CE3 3.75Å; R112-W206 HydrophobicContact CB-CG 4.25Å; R112-W206 HydrophobicContact CB-CZ3 4.18Å; R112-W206 HydrophobicContact CG-CB 4.11Å; R112-W206 HydrophobicContact CG-CD2 3.72Å; R112-W206 HydrophobicContact CG-CE3 4.18Å; R112-W206 HydrophobicContact CG-CG 3.66Å; P113-W206 VanDerWaalsContact CD-CE2 3.48Å; P113-W206 HydrophobicContact CG-CZ2 4.45Å; K204-W206 PolarHBondContact O-N 2.87Å; W206-D209 PolarHBondContact NE1-O 3.19Å; W206-D212 VanDerWaalsContact CD1-CB 3.48Å
207F90.9Very high92.6Very high79 Ų7939 Ų3935%0.34623%0.225SC..SBendtrans-124.5-53.6-176.7-59.7-79.5000112.1E71 H75 T85E71-F207 HydrophobicContact CG-CD1 4.02Å; E71-F207 HydrophobicContact CG-CE1 3.44Å; E71-F207 VanDerWaalsContact CG-CE1 3.44Å; E71-F207 HydrophobicContact CG-CZ 3.89Å; H75-F207 WeakPolarHBondContact CB-O 3.37Å; H75-F207 PolarHBondContact CD2-O 2.9Å; H75-F207 AromaticContact CE1-CD1 3.61Å; H75-F207 AromaticContact ND1-CD1 3.67Å; T85-F207 HydrophobicContact CG2-CD1 4.47Å
208S84.8Confident92.7Very high42 Ų4237.6 Ų37.629%0.29422%0.215SC..SBendtrans-154.70.5-174.977.20000115.4T85 P210T85-S208 VanDerWaalsContact O-CB 3.24Å; T85-S208 WeakPolarHBondContact O-CB 3.37Å; T85-S208 PolarHBondContact O-OG 2.83Å; S208-P210 WeakPolarHBondContact O-CD 3.38Å; S208-P210 VanDerWaalsContact O-N 3.15Å
209D87Confident92.6Very high61 Ų6134.7 Ų34.733%0.32620%0.199SC..  trans-67.9110.7-175177.29.4000109.7W206 S211 D212W206-D209 PolarHBondContact NE1-O 3.19Å; D209-S211 PolarHBondContact O-N 2.79Å; D209-S211 PolarHBondContact OD1-N 2.92Å; D209-S211 PolarHBondContact OD1-OG 3.35Å; D209-D212 HydrophobicContact CB-CB 4.4Å; D209-D212 WeakPolarHBondContact O-CB 3.21Å; D209-D212 PolarHBondContact O-N 3.18Å
210P83.8Confident92.4Very high46 Ų4637.9 Ų37.930%0.29922%0.22SC..THydrogen-bonded Turntrans-72.6-17.1-178.833-35.9000112.2I37 P113 S208I37-P210 HydrophobicContact CD1-CB 4.29Å; I37-P210 HydrophobicContact CG2-CB 4.26Å; I37-P210 WeakPolarHBondContact CG2-O 3.31Å; P113-P210 WeakPolarHBondContact CG-O 3.39Å; S208-P210 WeakPolarHBondContact O-CD 3.38Å; S208-P210 VanDerWaalsContact O-N 3.15Å
211S86.3Confident92.3Very high81 Ų8140.3 Ų40.357%0.56623%0.232SC*.THydrogen-bonded Turntrans-92.36.3179.466.60000113.8D209 T213D209-S211 PolarHBondContact O-N 2.79Å; D209-S211 PolarHBondContact OD1-N 2.92Å; D209-S211 PolarHBondContact OD1-OG 3.35Å; S211-T213 PolarHBondContact O-N 3.36Å
212D91Very high92.3Very high2 Ų240 Ų401%0.01123%0.23CC..  trans-61.2124.9178.3-175.5-80.1000111.5R112 P113 H114 K204 W206 D209 A214R112-D212 IonicContact CZ-OD1 2.71Å; R112-D212 IonicContact CZ-OD2 3.88Å; R112-D212 IonicContact NE-OD1 3.2Å; R112-D212 PolarHBondContact NE-OD1 2.72Å; R112-D212 IonicContact NE-OD2 2.74Å; R112-D212 IonicContact NH2-OD1 2.74Å; R112-D212 PolarHBondContact NH2-OD1 3Å; R112-D212 IonicContact NH2-OD2 3.17Å; R112-D212 PolarHBondContact NH2-OD2 2.82Å; P113-D212 WeakPolarHBondContact CB-O 3.49Å; P113-D212 HydrophobicContact CG-CB 4.09Å; H114-D212 PolarHBondContact CD2-O 3.18Å; K204-D212 WeakPolarHBondContact CE-OD2 3.26Å; K204-D212 IonicContact NZ-OD2 3.85Å; K204-D212 PolarHBondContact NZ-OD2 3.46Å; K204-D212 VanDerWaalsContact NZ-OD2 3.12Å; W206-D212 VanDerWaalsContact CD1-CB 3.48Å; D209-D212 HydrophobicContact CB-CB 4.4Å; D209-D212 WeakPolarHBondContact O-CB 3.21Å; D209-D212 PolarHBondContact O-N 3.18Å; D212-A214 WeakPolarHBondContact OD1-CB 3.25Å; D212-A214 PolarHBondContact OD1-N 2.85Å
213T92.4Very high92.3Very high46 Ų4639.6 Ų39.628%0.28223%0.226SC..  trans-113.713.8176.9530000112.7S211 L215 L216 N217S211-T213 PolarHBondContact O-N 3.36Å; T213-L215 PolarHBondContact O-N 3.24Å; T213-L216 WeakPolarHBondContact O-CB 3.35Å; T213-L216 PolarHBondContact O-N 3.43Å; T213-L216 VanDerWaalsContact O-N 3.13Å; T213-N217 PolarHBondContact O-N 2.94Å; T213-N217 PolarHBondContact O-ND2 3.23Å; T213-N217 PolarHBondContact OG1-ND2 3.41Å; T213-N217 VanDerWaalsContact OG1-ND2 3.11Å
214A94.4Very high92.2Very high14 Ų1442 Ų4212%0.11625%0.247CC..Hα-helixtrans-61.7-46.6-167.500000112.4I203 K204 D212 L216 N217 L218I203-A214 HydrophobicContact CD1-CB 3.99Å; I203-A214 HydrophobicContact CG1-CB 4.07Å; K204-A214 HydrophobicContact CG-CB 4.41Å; D212-A214 WeakPolarHBondContact OD1-CB 3.25Å; D212-A214 PolarHBondContact OD1-N 2.85Å; A214-L216 VanDerWaalsContact C-N 3.27Å; A214-L216 PolarHBondContact O-N 2.93Å; A214-N217 PolarHBondContact O-N 2.97Å; A214-L218 WeakPolarHBondContact O-CG 3.41Å; A214-L218 PolarHBondContact O-N 3.48Å
215L95.6Very high92.3Very high0 Ų037.5 Ų37.50%023%0.228CC..Hα-helixtrans-60.5-39.2177.9-66.5179.3000112L73 R112 V115 F118 L186 I203 T213 L218L73-L215 HydrophobicContact CD2-CD1 4.13Å; L73-L215 HydrophobicContact CD2-CD2 3.94Å; R112-L215 HydrophobicContact CB-CD1 4.17Å; R112-L215 HydrophobicContact CG-CD1 4.04Å; R112-L215 HydrophobicContact CG-CG 4.4Å; V115-L215 HydrophobicContact CB-CD1 3.86Å; V115-L215 HydrophobicContact CG2-CD1 4.15Å; F118-L215 HydrophobicContact CB-CB 4.15Å; F118-L215 HydrophobicContact CB-CD1 4.5Å; F118-L215 HydrophobicContact CD1-CD2 4.41Å; F118-L215 HydrophobicContact CD2-CB 3.95Å; F118-L215 VanDerWaalsContact CD2-O 3.24Å; F118-L215 WeakPolarHBondContact CD2-O 3.24Å; F118-L215 HydrophobicContact CE1-CD2 4.4Å; F118-L215 HydrophobicContact CG-CB 4.03Å; F118-L215 HydrophobicContact CG-CD2 4.5Å; F118-L215 HydrophobicContact CZ-CD2 4.47Å; L186-L215 HydrophobicContact CD2-CD2 4.1Å; I203-L215 HydrophobicContact CD1-CD2 3.67Å; I203-L215 HydrophobicContact CD1-CG 4.42Å; T213-L215 PolarHBondContact O-N 3.24Å; L215-L218 PolarHBondContact O-N 3.23Å
216L92.4Very high92.2Very high6 Ų636.4 Ų36.43%0.03122%0.215CC..Hα-helixtrans-69-41.1-179.3-169.567.9000111.9V42 H114 F117 T213 A214 L218 L219V42-L216 HydrophobicContact CB-CD2 3.32Å; V42-L216 HydrophobicContact CG1-CD2 3.24Å; V42-L216 HydrophobicContact CG1-CG 4.18Å; V42-L216 HydrophobicContact CG2-CD2 4.39Å; V42-L216 WeakPolarHBondContact O-CD2 3.19Å; H114-L216 HydrophobicContact CB-CB 4.42Å; F117-L216 HydrophobicContact CD1-CD1 3.92Å; F117-L216 HydrophobicContact CE1-CD1 3.8Å; T213-L216 WeakPolarHBondContact O-CB 3.35Å; T213-L216 PolarHBondContact O-N 3.43Å; T213-L216 VanDerWaalsContact O-N 3.13Å; A214-L216 VanDerWaalsContact C-N 3.27Å; A214-L216 PolarHBondContact O-N 2.93Å; L216-L218 PolarHBondContact O-N 2.86Å; L216-L219 HydrophobicContact CD1-CD1 3.81Å; L216-L219 WeakPolarHBondContact O-CB 3.36Å; L216-L219 PolarHBondContact O-N 2.86Å; L216-L219 VanDerWaalsContact O-N 3.13Å
217N92.2Very high92.2Very high100 Ų10038.7 Ų38.754%0.53523%0.226SC..Hα-helixtrans-66-17.1178.2-63.8-21.5000113T213 A214 P220T213-N217 PolarHBondContact O-N 2.94Å; T213-N217 PolarHBondContact O-ND2 3.23Å; T213-N217 PolarHBondContact OG1-ND2 3.41Å; T213-N217 VanDerWaalsContact OG1-ND2 3.11Å; A214-N217 PolarHBondContact O-N 2.97Å; N217-P220 WeakPolarHBondContact O-CD 3.4Å
218L95Very high92.4Very high23 Ų2336 Ų3612%0.1222%0.216CC..THydrogen-bonded Turntrans-80.2-21.5175.6-66.7176.6000113.4F118 L186 I201 I203 A214 L215 L216 M221 L222F118-L218 HydrophobicContact CE2-CB 4.48Å; L186-L218 HydrophobicContact CD1-CD1 3.51Å; L186-L218 HydrophobicContact CD2-CD1 3.94Å; L186-L218 HydrophobicContact CG-CD1 4.41Å; I201-L218 HydrophobicContact CG2-CD1 4.3Å; I201-L218 HydrophobicContact CG2-CD2 3.68Å; I203-L218 HydrophobicContact CD1-CD1 3.91Å; A214-L218 WeakPolarHBondContact O-CG 3.41Å; A214-L218 PolarHBondContact O-N 3.48Å; L215-L218 PolarHBondContact O-N 3.23Å; L216-L218 PolarHBondContact O-N 2.86Å; L218-M221 HydrophobicContact CD2-CE 3.48Å; L218-M221 VanDerWaalsContact CD2-CE 3.48Å; L218-M221 PolarHBondContact O-N 3.47Å; L218-L222 HydrophobicContact CB-CD1 4.07Å; L218-L222 HydrophobicContact CB-CG 4.49Å; L218-L222 WeakPolarHBondContact O-CG 3.31Å; L218-L222 PolarHBondContact O-N 3.46Å
219L94.9Very high92.8Very high0 Ų038 Ų380%024%0.235CC..Hα-helixtrans-57-46.1-174.6-66.5-179.2000113.8Y44 F117 F118 V121 V122 W125 L216 M221 L222 D223Y44-L219 HydrophobicContact CD1-CB 4.36Å; Y44-L219 HydrophobicContact CD1-CD1 3.96Å; Y44-L219 HydrophobicContact CD2-CB 3.54Å; Y44-L219 HydrophobicContact CD2-CD1 3.89Å; Y44-L219 HydrophobicContact CD2-CG 4.38Å; Y44-L219 HydrophobicContact CE1-CB 4.31Å; Y44-L219 HydrophobicContact CE2-CB 3.46Å; Y44-L219 VanDerWaalsContact CE2-CB 3.46Å; Y44-L219 HydrophobicContact CG-CB 4Å; Y44-L219 HydrophobicContact CG-CD1 3.56Å; Y44-L219 HydrophobicContact CG-CG 4.46Å; F117-L219 HydrophobicContact CD1-CD1 4.35Å; F117-L219 HydrophobicContact CE1-CD1 3.82Å; F118-L219 HydrophobicContact CD2-CD2 3.66Å; F118-L219 HydrophobicContact CD2-CG 4.34Å; F118-L219 HydrophobicContact CE2-CD2 4.06Å; V121-L219 HydrophobicContact CB-CD2 4.2Å; V121-L219 HydrophobicContact CG1-CD1 4.37Å; V121-L219 HydrophobicContact CG1-CD2 3.9Å; V122-L219 HydrophobicContact CG1-CD2 3.74Å; W125-L219 HydrophobicContact CH2-CB 4.38Å; W125-L219 HydrophobicContact CH2-CD2 4.36Å; W125-L219 HydrophobicContact CZ3-CB 4.44Å; W125-L219 HydrophobicContact CZ3-CD2 4.03Å; L216-L219 HydrophobicContact CD1-CD1 3.81Å; L216-L219 WeakPolarHBondContact O-CB 3.36Å; L216-L219 PolarHBondContact O-N 2.86Å; L216-L219 VanDerWaalsContact O-N 3.13Å; L219-M221 VanDerWaalsContact C-N 3.32Å; L219-M221 PolarHBondContact O-N 2.87Å; L219-L222 PolarHBondContact O-N 2.94Å; L219-D223 WeakPolarHBondContact O-CB 3.39Å; L219-D223 PolarHBondContact O-N 3.2Å
220P93.1Very high93.2Very high72 Ų7237.2 Ų37.247%0.46823%0.231SC..Hα-helixtrans-59.7-41.3179.7-18.626.6000113.2Y44 N217 D223 A224Y44-P220 HydrophobicContact CD2-CG 4.43Å; Y44-P220 HydrophobicContact CE2-CB 4.32Å; Y44-P220 HydrophobicContact CE2-CG 3.79Å; N217-P220 WeakPolarHBondContact O-CD 3.4Å; P220-D223 PolarHBondContact O-N 3.1Å; P220-A224 PolarHBondContact O-N 2.88Å
221M93.6Very high93.8Very high55 Ų5535 Ų3527%0.27122%0.216SC..Hα-helixtrans-70.1-45179174.3-16849.700111I201 L218 L219 D223 A224 L225 L235I201-M221 HydrophobicContact CD1-CE 3.58Å; I201-M221 HydrophobicContact CD1-SD 4.4Å; I201-M221 HydrophobicContact CG1-CE 4.04Å; I201-M221 HydrophobicContact CG2-CE 3.85Å; L218-M221 HydrophobicContact CD2-CE 3.48Å; L218-M221 VanDerWaalsContact CD2-CE 3.48Å; L218-M221 PolarHBondContact O-N 3.47Å; L219-M221 VanDerWaalsContact C-N 3.32Å; L219-M221 PolarHBondContact O-N 2.87Å; M221-D223 VanDerWaalsContact C-N 3.26Å; M221-D223 PolarHBondContact O-N 3.44Å; M221-A224 PolarHBondContact O-N 3.1Å; M221-L225 HydrophobicContact CG-CD1 4.23Å; M221-L225 HydrophobicContact CG-CG 4.44Å; M221-L225 WeakPolarHBondContact O-CG 3.27Å; M221-L225 PolarHBondContact O-N 3.36Å; M221-L235 HydrophobicContact SD-CD2 4.26Å
222L96.3Very high94.3Very high1 Ų135 Ų351%0.00520%0.204CC..Hα-helixtrans-59.9-40.7175.6-71.3172.2000110.5L65 F118 V122 W125 Y126 I201 L218 L219 A224 L225 R226L65-L222 HydrophobicContact CD1-CD2 4.15Å; L65-L222 HydrophobicContact CD2-CD1 4.27Å; L65-L222 HydrophobicContact CD2-CD2 4.43Å; F118-L222 HydrophobicContact CE2-CD1 3.64Å; F118-L222 HydrophobicContact CZ-CD1 3.9Å; V122-L222 HydrophobicContact CG1-CD1 3.87Å; W125-L222 HydrophobicContact CE3-CB 4.48Å; W125-L222 HydrophobicContact CZ3-CB 4.33Å; Y126-L222 HydrophobicContact CE2-CB 4.09Å; Y126-L222 HydrophobicContact CE2-CD2 4.41Å; Y126-L222 PolarHBondContact OH-O 3.29Å; I201-L222 HydrophobicContact CD1-CD2 3.66Å; L218-L222 HydrophobicContact CB-CD1 4.07Å; L218-L222 HydrophobicContact CB-CG 4.49Å; L218-L222 WeakPolarHBondContact O-CG 3.31Å; L218-L222 PolarHBondContact O-N 3.46Å; L219-L222 PolarHBondContact O-N 2.94Å; L222-A224 PolarHBondContact O-N 2.91Å; L222-L225 PolarHBondContact O-N 3.21Å; L222-R226 PolarHBondContact O-N 2.96Å
223D94.5Very high94.4Very high35 Ų3537.7 Ų37.719%0.18722%0.223CC..Hα-helixtrans-60.2-45.8175.3-162.57.9000111.8Y44 W125 L219 P220 M221 L225 R226 F227Y44-D223 WeakPolarHBondContact OH-CB 3.03Å; Y44-D223 PolarHBondContact OH-OD2 3.47Å; W125-D223 HydrophobicContact CE3-CB 4.43Å; W125-D223 HydrophobicContact CH2-CB 3.76Å; W125-D223 HydrophobicContact CZ2-CB 4.28Å; W125-D223 HydrophobicContact CZ3-CB 3.86Å; L219-D223 WeakPolarHBondContact O-CB 3.39Å; L219-D223 PolarHBondContact O-N 3.2Å; P220-D223 PolarHBondContact O-N 3.1Å; M221-D223 VanDerWaalsContact C-N 3.26Å; M221-D223 PolarHBondContact O-N 3.44Å; D223-L225 PolarHBondContact O-N 3.33Å; D223-R226 VanDerWaalsContact O-CB 3.26Å; D223-R226 WeakPolarHBondContact O-CB 3.36Å; D223-R226 VanDerWaalsContact O-CD 3.25Å; D223-R226 WeakPolarHBondContact O-CD 3.42Å; D223-R226 VanDerWaalsContact O-CG 3.31Å; D223-R226 WeakPolarHBondContact O-CG 3.39Å; D223-R226 PolarHBondContact O-N 2.82Å; D223-R226 VanDerWaalsContact OD1-CD 3.24Å; D223-R226 WeakPolarHBondContact OD1-CD 3.37Å; D223-R226 IonicContact OD1-CZ 2.63Å; D223-R226 IonicContact OD1-NE 2.71Å; D223-R226 IonicContact OD1-NH1 2.64Å; D223-R226 PolarHBondContact OD1-NH1 2.93Å; D223-F227 WeakPolarHBondContact O-CD2 3.17Å
224A93.3Very high94.5Very high63 Ų6338.1 Ų38.152%0.52123%0.226SC..Hα-helixtrans-62.4-40.9176.700000113.2P220 M221 L222 R226 F227P220-A224 PolarHBondContact O-N 2.88Å; M221-A224 PolarHBondContact O-N 3.1Å; L222-A224 PolarHBondContact O-N 2.91Å; A224-R226 PolarHBondContact O-N 3.27Å; A224-R226 VanDerWaalsContact O-N 3.15Å; A224-F227 PolarHBondContact O-N 3.41Å; A224-F227 VanDerWaalsContact O-N 3.17Å
225L95.9Very high94.4Very high2 Ų238 Ų381%0.0122%0.223CC..Hα-helixtrans-62.6-20.7179.9-74.6175.1000113.1K63 Y126 I201 M221 L222 D223 F227 T228 I231 V234 L235K63-L225 WeakPolarHBondContact CD-O 3.44Å; K63-L225 WeakPolarHBondContact CE-O 3.27Å; K63-L225 PolarHBondContact NZ-O 3.5Å; Y126-L225 WeakPolarHBondContact OH-CB 3.45Å; I201-L225 HydrophobicContact CD1-CD1 4.28Å; M221-L225 HydrophobicContact CG-CD1 4.23Å; M221-L225 HydrophobicContact CG-CG 4.44Å; M221-L225 WeakPolarHBondContact O-CG 3.27Å; M221-L225 PolarHBondContact O-N 3.36Å; L222-L225 PolarHBondContact O-N 3.21Å; D223-L225 PolarHBondContact O-N 3.33Å; L225-F227 PolarHBondContact O-N 3.5Å; L225-T228 HydrophobicContact CD2-CG2 4.36Å; L225-T228 PolarHBondContact O-N 2.89Å; L225-T228 PolarHBondContact O-OG1 3.27Å; L225-I231 HydrophobicContact CD2-CB 4.29Å; L225-I231 HydrophobicContact CD2-CG2 4.4Å; L225-V234 HydrophobicContact CD2-CB 3.79Å; L225-V234 HydrophobicContact CD2-CG1 3.92Å; L225-V234 HydrophobicContact CD2-CG2 4.21Å; L225-L235 HydrophobicContact CD1-CD2 4Å; L225-L235 HydrophobicContact CD1-CG 4.41Å; L225-L235 HydrophobicContact CD2-CD2 4.49Å; L225-L235 HydrophobicContact CD2-CG 4.49Å
226R95.1Very high94Very high29 Ų2940.2 Ų40.211%0.10924%0.238CC..THydrogen-bonded Turntrans-55.4-35.1174.9-63.3163.167.8-166.45.6112L57 V60 K63 W125 Y126 L222 D223 A224L57-R226 HydrophobicContact CD1-CB 3.75Å; V60-R226 WeakPolarHBondContact CG2-O 3.39Å; K63-R226 PolarHBondContact NZ-O 2.87Å; W125-R226 HydrophobicContact CB-CG 4.1Å; W125-R226 VanDerWaalsContact CD1-CZ 3.42Å; Y126-R226 HydrophobicContact CE2-CG 4.15Å; L222-R226 PolarHBondContact O-N 2.96Å; D223-R226 VanDerWaalsContact O-CB 3.26Å; D223-R226 WeakPolarHBondContact O-CB 3.36Å; D223-R226 VanDerWaalsContact O-CD 3.25Å; D223-R226 WeakPolarHBondContact O-CD 3.42Å; D223-R226 VanDerWaalsContact O-CG 3.31Å; D223-R226 WeakPolarHBondContact O-CG 3.39Å; D223-R226 PolarHBondContact O-N 2.82Å; D223-R226 VanDerWaalsContact OD1-CD 3.24Å; D223-R226 WeakPolarHBondContact OD1-CD 3.37Å; D223-R226 IonicContact OD1-CZ 2.63Å; D223-R226 IonicContact OD1-NE 2.71Å; D223-R226 IonicContact OD1-NH1 2.64Å; D223-R226 PolarHBondContact OD1-NH1 2.93Å; A224-R226 PolarHBondContact O-N 3.27Å; A224-R226 VanDerWaalsContact O-N 3.15Å
227F94.7Very high93.5Very high55 Ų5549.2 Ų49.224%0.24127%0.272CS..THydrogen-bonded Turntrans-89.6-4.9-172.1-61.5-88.1000114.7L49 S53 R56 L57 D223 A224 L225L49-F227 HydrophobicContact CD1-CZ 4.09Å; L49-F227 HydrophobicContact CD2-CZ 3.75Å; S53-F227 WeakPolarHBondContact O-CE1 3.45Å; R56-F227 HydrophobicContact CB-CD1 4.45Å; L57-F227 HydrophobicContact CB-CD1 4.26Å; L57-F227 HydrophobicContact CB-CE1 3.8Å; L57-F227 HydrophobicContact CB-CZ 4.48Å; L57-F227 HydrophobicContact CD1-CD1 4.41Å; L57-F227 HydrophobicContact CD1-CE1 4.32Å; D223-F227 WeakPolarHBondContact O-CD2 3.17Å; A224-F227 PolarHBondContact O-N 3.41Å; A224-F227 VanDerWaalsContact O-N 3.17Å; L225-F227 PolarHBondContact O-N 3.5Å
228T94Very high92.1Very high23 Ų2349 Ų4914%0.14127%0.271CS..  trans-80.2148.5-178.563.70000111.2K63 L225 V234K63-T228 VanDerWaalsContact CE-O 3.22Å; K63-T228 WeakPolarHBondContact CE-O 3.35Å; K63-T228 WeakPolarHBondContact CE-OG1 3.44Å; K63-T228 PolarHBondContact NZ-O 3.2Å; L225-T228 HydrophobicContact CD2-CG2 4.36Å; L225-T228 PolarHBondContact O-N 2.89Å; L225-T228 PolarHBondContact O-OG1 3.27Å; T228-V234 HydrophobicContact CG2-CG2 3.76Å
229A93.8Very high90.4Very high84 Ų8450.9 Ų50.969%0.69428%0.28SS*.SBendtrans-75.6-36.9169.900000111.4S181S181-A229 PolarHBondContact OG-O 3Å; S181-A229 VanDerWaalsContact OG-O 3.06Å
230D95.8Very high88.6Confident44 Ų4458.3 Ų58.324%0.23532%0.315CS..  trans-133.6117174-170-25.9000109.3S181 R232 S233S181-D230 WeakPolarHBondContact CA-OD1 3.35Å; S181-D230 VanDerWaalsContact CB-CG 3.47Å; S181-D230 WeakPolarHBondContact O-CA 3.37Å; D230-R232 PolarHBondContact O-N 2.87Å; D230-R232 VanDerWaalsContact OD1-CB 3.23Å; D230-R232 WeakPolarHBondContact OD1-CB 3.32Å; D230-R232 WeakPolarHBondContact OD1-CG 3.45Å; D230-R232 IonicContact OD1-CZ 3.87Å; D230-R232 PolarHBondContact OD1-N 3.36Å; D230-R232 IonicContact OD1-NE 2.99Å; D230-R232 PolarHBondContact OD1-NE 3.16Å; D230-R232 IonicContact OD1-NH2 3.87Å; D230-R232 IonicContact OD2-CZ 3.36Å; D230-R232 IonicContact OD2-NE 3.19Å; D230-R232 PolarHBondContact OD2-NE 2.86Å; D230-R232 IonicContact OD2-NH2 2.71Å; D230-R232 PolarHBondContact OD2-NH2 3.04Å; D230-S233 WeakPolarHBondContact O-CB 3.48Å; D230-S233 PolarHBondContact O-N 3.32Å; D230-S233 PolarHBondContact O-OG 3.39Å
231I96.2Very high86.7Confident0 Ų060 Ų600%032%0.317CS..THydrogen-bonded Turntrans-60.1-31178.359.892.7000112.5K63 S181 I183 V184 N199 L225 S233 V234 L235K63-I231 HydrophobicContact CD-CG2 3.54Å; S181-I231 WeakPolarHBondContact O-CG1 3.21Å; S181-I231 PolarHBondContact O-N 3.43Å; I183-I231 VanDerWaalsContact O-CD1 3.26Å; I183-I231 WeakPolarHBondContact O-CD1 3.29Å; I183-I231 WeakPolarHBondContact O-CG1 3.37Å; V184-I231 HydrophobicContact CG2-CB 4.09Å; V184-I231 HydrophobicContact CG2-CD1 4.06Å; V184-I231 HydrophobicContact CG2-CG1 4Å; V184-I231 HydrophobicContact CG2-CG2 3.96Å; N199-I231 HydrophobicContact CB-CD1 4.36Å; L225-I231 HydrophobicContact CD2-CB 4.29Å; L225-I231 HydrophobicContact CD2-CG2 4.4Å; I231-S233 PolarHBondContact O-N 3.4Å; I231-V234 PolarHBondContact O-N 3.06Å; I231-L235 HydrophobicContact CD1-CD1 3.63Å; I231-L235 HydrophobicContact CD1-CG 4.37Å; I231-L235 PolarHBondContact O-N 2.88Å
232R95.4Very high84.7Confident81 Ų8159.5 Ų59.531%0.30631%0.314SS..Hα-helixtrans-67.8-26.8-175.9-57.7171.6-66.8179.82.1111D198 N199 D230 V234 L235 S236D198-R232 HydrophobicContact CB-CB 4.22Å; D198-R232 HydrophobicContact CB-CG 4.13Å; N199-R232 WeakPolarHBondContact OD1-CD 3.3Å; D230-R232 PolarHBondContact O-N 2.87Å; D230-R232 VanDerWaalsContact OD1-CB 3.23Å; D230-R232 WeakPolarHBondContact OD1-CB 3.32Å; D230-R232 WeakPolarHBondContact OD1-CG 3.45Å; D230-R232 IonicContact OD1-CZ 3.87Å; D230-R232 PolarHBondContact OD1-N 3.36Å; D230-R232 IonicContact OD1-NE 2.99Å; D230-R232 PolarHBondContact OD1-NE 3.16Å; D230-R232 IonicContact OD1-NH2 3.87Å; D230-R232 IonicContact OD2-CZ 3.36Å; D230-R232 IonicContact OD2-NE 3.19Å; D230-R232 PolarHBondContact OD2-NE 2.86Å; D230-R232 IonicContact OD2-NH2 2.71Å; D230-R232 PolarHBondContact OD2-NH2 3.04Å; R232-V234 PolarHBondContact O-N 3.4Å; R232-V234 VanDerWaalsContact O-N 3.13Å; R232-L235 PolarHBondContact O-N 2.84Å; R232-S236 WeakPolarHBondContact O-CB 3.35Å; R232-S236 PolarHBondContact O-N 3.05Å; R232-S236 PolarHBondContact O-OG 2.92Å
233S94Very high82.4Confident59 Ų5970.2 Ų70.241%0.41335%0.354SS..Hα-helixtrans-60-22.517471.60000113.5D230 I231 R237D230-S233 WeakPolarHBondContact O-CB 3.48Å; D230-S233 PolarHBondContact O-N 3.32Å; D230-S233 PolarHBondContact O-OG 3.39Å; I231-S233 PolarHBondContact O-N 3.4Å; S233-R237 PolarHBondContact O-NE 3.28Å
234V93.4Very high79.9Confident55 Ų5574.6 Ų74.633%0.33338%0.377SS..Hα-helixtrans-99.8-52.3174.7178.80000110.4L225 T228 I231 R232 S236 R237L225-V234 HydrophobicContact CD2-CB 3.79Å; L225-V234 HydrophobicContact CD2-CG1 3.92Å; L225-V234 HydrophobicContact CD2-CG2 4.21Å; T228-V234 HydrophobicContact CG2-CG2 3.76Å; I231-V234 PolarHBondContact O-N 3.06Å; R232-V234 PolarHBondContact O-N 3.4Å; R232-V234 VanDerWaalsContact O-N 3.13Å; V234-S236 PolarHBondContact O-N 3.08Å; V234-R237 WeakPolarHBondContact O-CB 3.4Å; V234-R237 PolarHBondContact O-N 2.98Å
235L92.6Very high77.5Confident12 Ų1282.4 Ų82.46%0.06339%0.393CS..Hα-helixtrans-65.8-37.8-172.5-66.6-173.5000113.6V184 D198 I201 M221 L225 I231 R232 R237 N238V184-L235 HydrophobicContact CG1-CD1 4.04Å; V184-L235 HydrophobicContact CG2-CD1 4.44Å; D198-L235 WeakPolarHBondContact O-CB 3.46Å; I201-L235 HydrophobicContact CD1-CD2 4.47Å; I201-L235 HydrophobicContact CG1-CD1 4.16Å; I201-L235 HydrophobicContact CG1-CD2 3.91Å; M221-L235 HydrophobicContact SD-CD2 4.26Å; L225-L235 HydrophobicContact CD1-CD2 4Å; L225-L235 HydrophobicContact CD1-CG 4.41Å; L225-L235 HydrophobicContact CD2-CD2 4.49Å; L225-L235 HydrophobicContact CD2-CG 4.49Å; I231-L235 HydrophobicContact CD1-CD1 3.63Å; I231-L235 HydrophobicContact CD1-CG 4.37Å; I231-L235 PolarHBondContact O-N 2.88Å; R232-L235 PolarHBondContact O-N 2.84Å; L235-R237 PolarHBondContact O-N 3.21Å; L235-N238 PolarHBondContact O-N 3.1Å; L235-N238 VanDerWaalsContact O-N 3.14Å
236S87.1Confident76.6Confident46 Ų4686.5 Ų86.532%0.32241%0.412SS..G310 helixtrans-63.2-12.5178.163.20000114.1R232 V234 N238 L239R232-S236 WeakPolarHBondContact O-CB 3.35Å; R232-S236 PolarHBondContact O-N 3.05Å; R232-S236 PolarHBondContact O-OG 2.92Å; V234-S236 PolarHBondContact O-N 3.08Å; S236-N238 VanDerWaalsContact C-N 3.34Å; S236-L239 VanDerWaalsContact O-CD1 3.22Å; S236-L239 WeakPolarHBondContact O-CD1 3.36Å; S236-L239 WeakPolarHBondContact O-CG 3.24Å
237R81.7Confident75.6Confident194 Ų19489.5 Ų89.573%0.73243%0.428SS*.G310 helixtrans-78.4-20.1178.2-58.4-176.1-176.6-161.9-5113.2S233 V234 L235S233-R237 PolarHBondContact O-NE 3.28Å; V234-R237 WeakPolarHBondContact O-CB 3.4Å; V234-R237 PolarHBondContact O-N 2.98Å; L235-R237 PolarHBondContact O-N 3.21Å
238N64.5Low74.5Confident97 Ų9791.4 Ų91.452%0.51944%0.438SS..G310 helixtrans-101.714.2-176.4-71.9-20.1000113.2L235 S236 H240 Q241L235-N238 PolarHBondContact O-N 3.1Å; L235-N238 VanDerWaalsContact O-N 3.14Å; S236-N238 VanDerWaalsContact C-N 3.34Å; N238-H240 PolarHBondContact O-N 2.96Å; N238-Q241 PolarHBondContact O-N 2.89Å; N238-Q241 VanDerWaalsContact O-N 3.09Å
239L59.3Low73.4Confident61 Ų6195.4 Ų95.432%0.31946%0.456SS..G310 helixtrans-61.5-17.4-171.5-67.6168.7000114.6D198 S236 Q241 H242D198-L239 WeakPolarHBondContact OD1-CD1 3.33Å; S236-L239 VanDerWaalsContact O-CD1 3.22Å; S236-L239 WeakPolarHBondContact O-CD1 3.36Å; S236-L239 WeakPolarHBondContact O-CG 3.24Å; L239-Q241 PolarHBondContact O-N 3.2Å; L239-H242 VanDerWaalsContact CA-CD2 3.5Å; L239-H242 WeakPolarHBondContact CA-CD2 3.36Å; L239-H242 WeakPolarHBondContact CD2-CD2 3.46Å; L239-H242 VanDerWaalsContact CD2-NE2 3.33Å; L239-H242 WeakPolarHBondContact CD2-NE2 3.22Å; L239-H242 PolarHBondContact O-CD2 3.13Å; L239-H242 PolarHBondContact O-N 3.34Å; L239-H242 VanDerWaalsContact O-N 3.13Å
240H56.9Low72.1Confident156 Ų15696.1 Ų96.172%0.72244%0.441SS*.G310 helixtrans-60.7-23.2175.3-65.9-55.7000113.3N238N238-H240 PolarHBondContact O-N 2.96Å
241Q52.1Low70.6Confident109 Ų10999.6 Ų99.651%0.50946%0.455SS..G310 helixtrans-73.7-21.3175.7-91.3-176.4-29.200114.1N238 L239 R243 L244N238-Q241 PolarHBondContact O-N 2.89Å; N238-Q241 VanDerWaalsContact O-N 3.09Å; L239-Q241 PolarHBondContact O-N 3.2Å; Q241-R243 PolarHBondContact O-N 3.45Å; Q241-R243 VanDerWaalsContact O-N 3.1Å; Q241-L244 PolarHBondContact O-N 3.1Å; Q241-L244 VanDerWaalsContact O-N 3.15Å
242H52.3Low68.7Low44 Ų44106.7 Ų106.720%0.20449%0.487CS..G310 helixtrans-68.1-10.1178.8-62.1-72.4000113.8Y193 P202 L239Y193-H242 AromaticContact CE2-CE1 3.91Å; Y193-H242 AromaticContact CE2-ND1 3.77Å; P202-H242 WeakPolarHBondContact CG-CE1 3.41Å; P202-H242 VanDerWaalsContact CG-ND1 3.25Å; P202-H242 WeakPolarHBondContact CG-ND1 3.34Å; L239-H242 VanDerWaalsContact CA-CD2 3.5Å; L239-H242 WeakPolarHBondContact CA-CD2 3.36Å; L239-H242 WeakPolarHBondContact CD2-CD2 3.46Å; L239-H242 VanDerWaalsContact CD2-NE2 3.33Å; L239-H242 WeakPolarHBondContact CD2-NE2 3.22Å; L239-H242 PolarHBondContact O-CD2 3.13Å; L239-H242 PolarHBondContact O-N 3.34Å; L239-H242 VanDerWaalsContact O-N 3.13Å
243R47.7Very low66.7Low225 Ų225108.7 Ų108.785%0.84950%0.501SS*.G310 helixtrans-93-4.7176.7-66.1-173.8179.8-176.8-0.2113.8Q241Q241-R243 PolarHBondContact O-N 3.45Å; Q241-R243 VanDerWaalsContact O-N 3.1Å
244L42Very low64.4Low128 Ų128112.8 Ų112.867%0.6751%0.509SS*.  trans-107.3-0.8-169.1-67.8172.9000114.6Q241Q241-L244 PolarHBondContact O-N 3.1Å; Q241-L244 VanDerWaalsContact O-N 3.15Å
245W43.3Very low61.8Low227 Ų227118.1 Ų118.186%0.8652%0.524SS*.  trans-137.80-176-50.590.2000111.9

Retrieved 245 of 245 residues in 1578.5 ms (Link to these results)

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