A0A096NEU8_PAPAN Loading...

Retinol dehydrogenase 10

AlphaFold DB (Q8HZT6), UniProt , Accession A0A096NEU8, Species PAPAN (Papio anubis, Olive baboon), Gene RDH10, Length 341 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M63.5Low90.9Very high156 Ų15697.9 Ų97.977%0.76851%0.509SS*.  0159.90-165.3160.66700106.8I3 V5 E6M1-I3 PolarHBondContact O-N 3.45Å; M1-V5 HydrophobicContact CE-CG1 4.44Å; M1-V5 HydrophobicContact CG-CB 4.26Å; M1-V5 HydrophobicContact CG-CG1 4.08Å; M1-V5 HydrophobicContact SD-CG1 4.13Å; M1-E6 HydrophobicContact CB-CG 4.1Å; M1-E6 WeakPolarHBondContact CB-OE1 3.47Å; M1-E6 HydrophobicContact CE-CB 4.33Å; M1-E6 HydrophobicContact CE-CG 3.3Å; M1-E6 HydrophobicContact CG-CG 4.4Å
2N88.8Confident91.3Very high98 Ų98101.3 Ų101.352%0.52452%0.518SS..  trans-66.5129.4176.4-178.7-24.2000108.4V4 V5 E6N2-V4 PolarHBondContact O-N 2.97Å; N2-V4 VanDerWaalsContact O-N 3.07Å; N2-V4 WeakPolarHBondContact OD1-CB 3.31Å; N2-V4 WeakPolarHBondContact OD1-CG2 3.41Å; N2-V4 PolarHBondContact OD1-N 3.22Å; N2-V5 HydrophobicContact CB-CB 4.48Å; N2-V5 HydrophobicContact CB-CG2 4.1Å; N2-V5 WeakPolarHBondContact O-CA 3.35Å; N2-V5 WeakPolarHBondContact O-CB 3.07Å; N2-V5 PolarHBondContact O-N 3.14Å; N2-E6 PolarHBondContact O-N 3.29Å
3I93.3Very high91.6Very high132 Ų132104.5 Ų104.568%0.67753%0.525SS*.Hα-helixtrans-52.9-30.7179.4-167.9164.5000112.6M1 E6 F7M1-I3 PolarHBondContact O-N 3.45Å; I3-E6 PolarHBondContact O-N 2.84Å; I3-F7 WeakPolarHBondContact O-CB 3.4Å; I3-F7 PolarHBondContact O-N 3.39Å
4V93.1Very high91.8Very high79 Ų79102.4 Ų102.448%0.47952%0.521SS..Hα-helixtrans-63.8-44.5174.4178.10000110.9N2 F7 F8N2-V4 PolarHBondContact O-N 2.97Å; N2-V4 VanDerWaalsContact O-N 3.07Å; N2-V4 WeakPolarHBondContact OD1-CB 3.31Å; N2-V4 WeakPolarHBondContact OD1-CG2 3.41Å; N2-V4 PolarHBondContact OD1-N 3.22Å; V4-F7 WeakPolarHBondContact O-CB 3.5Å; V4-F7 PolarHBondContact O-N 3.39Å; V4-F8 HydrophobicContact CG1-CD2 4.04Å; V4-F8 HydrophobicContact CG1-CE2 3.64Å; V4-F8 WeakPolarHBondContact O-CD2 3.35Å; V4-F8 PolarHBondContact O-N 3.37Å
5V94.5Very high92.1Very high68 Ų68102.6 Ų102.641%0.41252%0.523SS..Hα-helixtrans-66.3-42.1177176.20000110.4M1 N2 F7 F8 V9M1-V5 HydrophobicContact CE-CG1 4.44Å; M1-V5 HydrophobicContact CG-CB 4.26Å; M1-V5 HydrophobicContact CG-CG1 4.08Å; M1-V5 HydrophobicContact SD-CG1 4.13Å; N2-V5 HydrophobicContact CB-CB 4.48Å; N2-V5 HydrophobicContact CB-CG2 4.1Å; N2-V5 WeakPolarHBondContact O-CA 3.35Å; N2-V5 WeakPolarHBondContact O-CB 3.07Å; N2-V5 PolarHBondContact O-N 3.14Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 2.91Å; V5-F8 PolarHBondContact O-N 3.47Å; V5-V9 HydrophobicContact CG1-CG2 4.38Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 3.32Å
6E93Very high92.3Very high83 Ų83104.7 Ų104.739%0.38852%0.522SS..Hα-helixtrans-58.7-44175.2-74.2173.5-167.200112M1 N2 I3 F8 V9 V10M1-E6 HydrophobicContact CB-CG 4.1Å; M1-E6 WeakPolarHBondContact CB-OE1 3.47Å; M1-E6 HydrophobicContact CE-CB 4.33Å; M1-E6 HydrophobicContact CE-CG 3.3Å; M1-E6 HydrophobicContact CG-CG 4.4Å; N2-E6 PolarHBondContact O-N 3.29Å; I3-E6 PolarHBondContact O-N 2.84Å; E6-F8 PolarHBondContact O-N 3.11Å; E6-V9 PolarHBondContact O-N 3.39Å; E6-V10 WeakPolarHBondContact O-CG2 3.3Å; E6-V10 PolarHBondContact O-N 3.38Å
7F94.3Very high92.3Very high133 Ų133101.8 Ų101.858%0.58352%0.518SS*.Hα-helixtrans-57.9-45.7176.4177.7-94.4000112.6I3 V4 V5 V10 T11I3-F7 WeakPolarHBondContact O-CB 3.4Å; I3-F7 PolarHBondContact O-N 3.39Å; V4-F7 WeakPolarHBondContact O-CB 3.5Å; V4-F7 PolarHBondContact O-N 3.39Å; V5-F7 VanDerWaalsContact C-N 3.34Å; V5-F7 PolarHBondContact O-N 2.91Å; F7-V10 PolarHBondContact O-N 3.2Å; F7-T11 WeakPolarHBondContact O-CB 3.45Å; F7-T11 PolarHBondContact O-N 2.86Å; F7-T11 PolarHBondContact O-OG1 3.2Å
8F95.4Very high92.3Very high132 Ų132104.1 Ų104.158%0.57953%0.525SS*.Hα-helixtrans-66-41.4176.6-74.8-65.8000112.4V4 V5 E6 V10 T11 F12V4-F8 HydrophobicContact CG1-CD2 4.04Å; V4-F8 HydrophobicContact CG1-CE2 3.64Å; V4-F8 WeakPolarHBondContact O-CD2 3.35Å; V4-F8 PolarHBondContact O-N 3.37Å; V5-F8 PolarHBondContact O-N 3.47Å; E6-F8 PolarHBondContact O-N 3.11Å; F8-V10 VanDerWaalsContact C-N 3.34Å; F8-V10 PolarHBondContact O-N 3.44Å; F8-T11 PolarHBondContact O-N 2.9Å; F8-F12 WeakPolarHBondContact O-CB 3.4Å; F8-F12 PolarHBondContact O-N 3.41Å
9V94.2Very high92.3Very high58 Ų58102.8 Ų102.835%0.35252%0.522SS..Hα-helixtrans-61.1-43.7175.9170.10000110.9V5 E6 F12 K13V5-V9 HydrophobicContact CG1-CG2 4.38Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.3Å; V5-V9 PolarHBondContact O-N 3.32Å; E6-V9 PolarHBondContact O-N 3.39Å; V9-F12 PolarHBondContact O-N 3.18Å; V9-K13 HydrophobicContact CG1-CD 4.32Å; V9-K13 WeakPolarHBondContact O-CG 3.15Å; V9-K13 PolarHBondContact O-N 3.43Å
10V95.1Very high92.2Very high84 Ų84101.4 Ų101.451%0.50952%0.515SS..Hα-helixtrans-66.2-45.3178170.80000110.9E6 F7 F8 F12 K13 V14E6-V10 WeakPolarHBondContact O-CG2 3.3Å; E6-V10 PolarHBondContact O-N 3.38Å; F7-V10 PolarHBondContact O-N 3.2Å; F8-V10 VanDerWaalsContact C-N 3.34Å; F8-V10 PolarHBondContact O-N 3.44Å; V10-F12 VanDerWaalsContact C-N 3.3Å; V10-F12 PolarHBondContact O-N 3.09Å; V10-K13 PolarHBondContact O-N 3.46Å; V10-K13 VanDerWaalsContact O-N 3.14Å; V10-V14 HydrophobicContact CG1-CG2 4.32Å; V10-V14 WeakPolarHBondContact O-CG2 3.19Å; V10-V14 PolarHBondContact O-N 3.3Å
11T94.8Very high92Very high54 Ų5499.3 Ų99.333%0.33151%0.514SS..Hα-helixtrans-59.4-44177.9-60.90000110.8F7 F8 V14 L15F7-T11 WeakPolarHBondContact O-CB 3.45Å; F7-T11 PolarHBondContact O-N 2.86Å; F7-T11 PolarHBondContact O-OG1 3.2Å; F8-T11 PolarHBondContact O-N 2.9Å; T11-V14 PolarHBondContact O-N 3.31Å; T11-L15 HydrophobicContact CG2-CD1 4.12Å; T11-L15 HydrophobicContact CG2-CG 4.5Å; T11-L15 VanDerWaalsContact O-CG 3.3Å; T11-L15 WeakPolarHBondContact O-CG 3.44Å; T11-L15 PolarHBondContact O-N 2.82Å
12F95.9Very high93.2Very high139 Ų13994.4 Ų94.461%0.6150%0.498SS*.Hα-helixtrans-60.3-46.9174179-96000112.2F8 V9 V10 V14 L15 W16F8-F12 WeakPolarHBondContact O-CB 3.4Å; F8-F12 PolarHBondContact O-N 3.41Å; V9-F12 PolarHBondContact O-N 3.18Å; V10-F12 VanDerWaalsContact C-N 3.3Å; V10-F12 PolarHBondContact O-N 3.09Å; F12-V14 VanDerWaalsContact C-N 3.31Å; F12-V14 PolarHBondContact O-N 3.45Å; F12-L15 PolarHBondContact O-N 3.19Å; F12-W16 VanDerWaalsContact O-CB 3.3Å; F12-W16 WeakPolarHBondContact O-CB 3.4Å; F12-W16 PolarHBondContact O-N 3.2Å
13K94.8Very high93.2Very high142 Ų14291.8 Ų91.862%0.61749%0.49SS*.Hα-helixtrans-59.5-40.6177.2-75.5178.8179.4-175.80112.3V9 V10 W16 A17V9-K13 HydrophobicContact CG1-CD 4.32Å; V9-K13 WeakPolarHBondContact O-CG 3.15Å; V9-K13 PolarHBondContact O-N 3.43Å; V10-K13 PolarHBondContact O-N 3.46Å; V10-K13 VanDerWaalsContact O-N 3.14Å; K13-W16 PolarHBondContact O-N 3.27Å; K13-A17 WeakPolarHBondContact O-CB 3.39Å; K13-A17 PolarHBondContact O-N 3.43Å
14V95.1Very high92.7Very high76 Ų7693.5 Ų93.546%0.46149%0.488SS..Hα-helixtrans-65.2-49.6177.2170.60000110.7V10 T11 F12 W16 A17 F18V10-V14 HydrophobicContact CG1-CG2 4.32Å; V10-V14 WeakPolarHBondContact O-CG2 3.19Å; V10-V14 PolarHBondContact O-N 3.3Å; T11-V14 PolarHBondContact O-N 3.31Å; F12-V14 VanDerWaalsContact C-N 3.31Å; F12-V14 PolarHBondContact O-N 3.45Å; V14-W16 VanDerWaalsContact C-N 3.3Å; V14-W16 PolarHBondContact O-N 3.07Å; V14-A17 WeakPolarHBondContact O-CB 3.43Å; V14-A17 PolarHBondContact O-N 3.45Å; V14-A17 VanDerWaalsContact O-N 3.13Å; V14-F18 HydrophobicContact CG1-CD2 4.13Å; V14-F18 HydrophobicContact CG1-CE2 3.74Å; V14-F18 VanDerWaalsContact O-CD2 3.23Å; V14-F18 WeakPolarHBondContact O-CD2 3.35Å; V14-F18 PolarHBondContact O-N 3.43Å
15L95.8Very high92.1Very high105 Ų10599.8 Ų99.855%0.5550%0.503SS..Hα-helixtrans-59.4-42.3176.6-69.4174000111.5T11 F12 A17 F18 V19T11-L15 HydrophobicContact CG2-CD1 4.12Å; T11-L15 HydrophobicContact CG2-CG 4.5Å; T11-L15 VanDerWaalsContact O-CG 3.3Å; T11-L15 WeakPolarHBondContact O-CG 3.44Å; T11-L15 PolarHBondContact O-N 2.82Å; F12-L15 PolarHBondContact O-N 3.19Å; L15-A17 VanDerWaalsContact C-N 3.33Å; L15-A17 PolarHBondContact O-N 3.34Å; L15-F18 WeakPolarHBondContact O-CB 3.36Å; L15-F18 PolarHBondContact O-N 3.04Å; L15-V19 PolarHBondContact O-N 2.97Å; L15-V19 VanDerWaalsContact O-N 3.11Å
16W95.2Very high91.7Very high136 Ų136103.1 Ų103.152%0.51552%0.518SS..Hα-helixtrans-62.5-38.5175.8-171.7-114.5000112.4F12 K13 V14 F18 V19 L20F12-W16 VanDerWaalsContact O-CB 3.3Å; F12-W16 WeakPolarHBondContact O-CB 3.4Å; F12-W16 PolarHBondContact O-N 3.2Å; K13-W16 PolarHBondContact O-N 3.27Å; V14-W16 VanDerWaalsContact C-N 3.3Å; V14-W16 PolarHBondContact O-N 3.07Å; W16-F18 VanDerWaalsContact C-N 3.31Å; W16-F18 PolarHBondContact O-N 3.4Å; W16-V19 HydrophobicContact CE3-CB 4.32Å; W16-V19 HydrophobicContact CE3-CG1 4.38Å; W16-V19 HydrophobicContact CZ3-CG1 4.18Å; W16-V19 PolarHBondContact O-N 3.06Å; W16-L20 HydrophobicContact CZ2-CD2 4.23Å; W16-L20 WeakPolarHBondContact O-CG 3.33Å; W16-L20 PolarHBondContact O-N 2.85Å
17A92.8Very high91.3Very high55 Ų55104 Ų10446%0.45553%0.529SS..Hα-helixtrans-61.9-37.5175.100000112.3K13 V14 L15 L20 A21K13-A17 WeakPolarHBondContact O-CB 3.39Å; K13-A17 PolarHBondContact O-N 3.43Å; V14-A17 WeakPolarHBondContact O-CB 3.43Å; V14-A17 PolarHBondContact O-N 3.45Å; V14-A17 VanDerWaalsContact O-N 3.13Å; L15-A17 VanDerWaalsContact C-N 3.33Å; L15-A17 PolarHBondContact O-N 3.34Å; A17-L20 PolarHBondContact O-N 2.91Å; A17-A21 WeakPolarHBondContact O-CB 3.23Å; A17-A21 PolarHBondContact O-N 3.47Å
18F92.6Very high90.7Very high144 Ų144108.4 Ų108.463%0.63254%0.542SS*.Hα-helixtrans-64.9-42172.7-76.6-72.2000112.4V14 L15 W16 A21 A22V14-F18 HydrophobicContact CG1-CD2 4.13Å; V14-F18 HydrophobicContact CG1-CE2 3.74Å; V14-F18 VanDerWaalsContact O-CD2 3.23Å; V14-F18 WeakPolarHBondContact O-CD2 3.35Å; V14-F18 PolarHBondContact O-N 3.43Å; L15-F18 WeakPolarHBondContact O-CB 3.36Å; L15-F18 PolarHBondContact O-N 3.04Å; W16-F18 VanDerWaalsContact C-N 3.31Å; W16-F18 PolarHBondContact O-N 3.4Å; F18-A21 PolarHBondContact O-N 2.92Å; F18-A22 WeakPolarHBondContact O-CB 3.4Å; F18-A22 PolarHBondContact O-N 3.25Å
19V92.5Very high90.1Very high79 Ų79104.8 Ų104.848%0.47953%0.532SS..Hα-helixtrans-60.6-46.1175.1175.10000110.6L15 W16 A21 A22 A23L15-V19 PolarHBondContact O-N 2.97Å; L15-V19 VanDerWaalsContact O-N 3.11Å; W16-V19 HydrophobicContact CE3-CB 4.32Å; W16-V19 HydrophobicContact CE3-CG1 4.38Å; W16-V19 HydrophobicContact CZ3-CG1 4.18Å; W16-V19 PolarHBondContact O-N 3.06Å; V19-A21 VanDerWaalsContact C-N 3.35Å; V19-A21 PolarHBondContact O-N 2.87Å; V19-A22 PolarHBondContact O-N 3.4Å; V19-A23 WeakPolarHBondContact O-CB 3.34Å; V19-A23 PolarHBondContact O-N 2.89Å
20L89.7Confident89.9Confident74 Ų74111.4 Ų111.439%0.38756%0.556SS.*Hα-helixtrans-63.1-39.5176.4-69177.7000112.3W16 A17 A23 R24W16-L20 HydrophobicContact CZ2-CD2 4.23Å; W16-L20 WeakPolarHBondContact O-CG 3.33Å; W16-L20 PolarHBondContact O-N 2.85Å; A17-L20 PolarHBondContact O-N 2.91Å; L20-A23 PolarHBondContact O-N 3.42Å; L20-R24 WeakPolarHBondContact O-CG 3.48Å; L20-R24 PolarHBondContact O-N 2.97Å
21A87.8Confident89.9Confident58 Ų58111.8 Ų111.848%0.47955%0.552SS.*Hα-helixtrans-63.9-42.9175.700000111.9A17 F18 V19 R24 W25A17-A21 WeakPolarHBondContact O-CB 3.23Å; A17-A21 PolarHBondContact O-N 3.47Å; F18-A21 PolarHBondContact O-N 2.92Å; V19-A21 VanDerWaalsContact C-N 3.35Å; V19-A21 PolarHBondContact O-N 2.87Å; A21-R24 PolarHBondContact O-N 3.17Å; A21-W25 PolarHBondContact O-N 3.13Å
22A88.8Confident89.9Confident53 Ų53111.9 Ų111.944%0.43855%0.548SS..Hα-helixtrans-64.6-41.4174.600000111.8F18 V19 R24 W25 L26F18-A22 WeakPolarHBondContact O-CB 3.4Å; F18-A22 PolarHBondContact O-N 3.25Å; V19-A22 PolarHBondContact O-N 3.4Å; A22-R24 PolarHBondContact O-N 2.95Å; A22-W25 WeakPolarHBondContact O-CB 3.41Å; A22-W25 PolarHBondContact O-N 3.33Å; A22-W25 VanDerWaalsContact O-N 3.09Å; A22-L26 PolarHBondContact O-N 2.88Å
23A88.2Confident89.9Confident44 Ų44109 Ų10936%0.36455%0.545SS..Hα-helixtrans-61.5-41.8175.800000112.1V19 L20 W25 L26 V27V19-A23 WeakPolarHBondContact O-CB 3.34Å; V19-A23 PolarHBondContact O-N 2.89Å; L20-A23 PolarHBondContact O-N 3.42Å; A23-W25 PolarHBondContact O-N 3.14Å; A23-L26 PolarHBondContact O-N 2.94Å; A23-V27 PolarHBondContact O-N 3.48Å
24R83.7Confident89.9Confident167 Ų167102.3 Ų102.363%0.6352%0.516SS*.Hα-helixtrans-66.5-20.2174.4-72.4177-174.2-171.82113.9L20 A21 A22 V27L20-R24 WeakPolarHBondContact O-CG 3.48Å; L20-R24 PolarHBondContact O-N 2.97Å; A21-R24 PolarHBondContact O-N 3.17Å; A22-R24 PolarHBondContact O-N 2.95Å; R24-V27 CarbonylContact C-O 3.34Å
25W81Confident89.9Confident211 Ų21199.8 Ų99.880%0.79950%0.503SS*.Hα-helixtrans-78.3-36.2173.9-173.269.1000111.5A21 A22 A23A21-W25 PolarHBondContact O-N 3.13Å; A22-W25 WeakPolarHBondContact O-CB 3.41Å; A22-W25 PolarHBondContact O-N 3.33Å; A22-W25 VanDerWaalsContact O-N 3.09Å; A23-W25 PolarHBondContact O-N 3.14Å
26L84.4Confident89.7Confident139 Ų13996.8 Ų96.873%0.72850%0.498SS*.Hα-helixtrans-77.3-43.1176.1-68.3165.6000112.4A22 A23A22-L26 PolarHBondContact O-N 2.88Å; A23-L26 PolarHBondContact O-N 2.94Å
27V85.3Confident89.7Confident102 Ų10292 Ų9262%0.61848%0.481SS*.SBendtrans-100.2117-179.1-176.30000109A23 R24 P29A23-V27 PolarHBondContact O-N 3.48Å; R24-V27 CarbonylContact C-O 3.34Å; V27-P29 WeakPolarHBondContact O-CD 3.48Å
28R81.1Confident90Very high224 Ų22490.3 Ų90.385%0.84547%0.465SS*.PPolyproline II helixtrans-58.4122.2175.7-72-174.4178.8-178.22.1109.4
29P83.4Confident90.3Very high57 Ų5783.4 Ų83.437%0.3744%0.435SS..PPolyproline II helixtrans-63.1141177.922.8-30.6000110.4V27 T282V27-P29 WeakPolarHBondContact O-CD 3.48Å; P29-T282 HydrophobicContact CB-CG2 3.93Å; P29-T282 HydrophobicContact CG-CG2 3.73Å
30K89.9Confident90.6Very high197 Ų19779.7 Ų79.786%0.85741%0.412SS*.PPolyproline II helixtrans-69.1131.4176-175.6175.2179.5178.60109.3
31E94.4Very high91Very high92 Ų9276.1 Ų76.143%0.4339%0.393SS..PPolyproline II helixtrans-73.5130172.7-68.7-175.4-169.300109.6L281 T282E31-L281 CarbonylContact C-O 3.55Å; E31-L281 WeakPolarHBondContact CA-O 3.35Å; E31-L281 HydrophobicContact CB-CB 3.95Å; E31-L281 HydrophobicContact CG-CB 3.96Å; E31-L281 WeakPolarHBondContact OE2-CD1 3.34Å; E31-T282 HydrophobicContact CG-CG2 3.97Å
32K95.3Very high91.5Very high56 Ų5673.5 Ų73.524%0.24337%0.371CS..PPolyproline II helixtrans-72.2152.2169.874.8-171.4180-177.80110.3H191 I280 L281 D283K32-H191 PolarHBondContact NZ-ND1 3.4Å; K32-I280 WeakPolarHBondContact CE-O 3.45Å; K32-L281 HydrophobicContact CG-CD2 4.49Å; K32-L281 WeakPolarHBondContact CG-O 3.42Å; K32-L281 PolarHBondContact N-O 3.26Å; K32-L281 WeakPolarHBondContact O-CD2 3.41Å; K32-D283 WeakPolarHBondContact CE-OD1 3.23Å; K32-D283 IonicContact NZ-OD1 3.16Å; K32-D283 PolarHBondContact NZ-OD1 3.15Å
33S95.4Very high92Very high77 Ų7771.8 Ų71.854%0.53836%0.358SS..PPolyproline II helixtrans-80.3141.1172.3-1730000110.6A35S33-A35 WeakPolarHBondContact OG-CB 3.42Å; S33-A35 PolarHBondContact OG-N 2.91Å; S33-A35 VanDerWaalsContact OG-N 3.16Å
34V95.3Very high92.4Very high2 Ų269.7 Ų69.71%0.01234%0.341CS..  trans-113.511.1168.5-640000111G36 Q37 F56 R59 A61 L281V34-G36 PolarHBondContact O-N 2.96Å; V34-Q37 HydrophobicContact CB-CB 4.47Å; V34-Q37 WeakPolarHBondContact O-CB 3.42Å; V34-Q37 PolarHBondContact O-N 3.19Å; V34-Q37 VanDerWaalsContact O-N 3.1Å; V34-F56 HydrophobicContact CB-CD1 4.43Å; V34-F56 HydrophobicContact CB-CE1 4.48Å; V34-F56 HydrophobicContact CG1-CE1 4.2Å; V34-F56 HydrophobicContact CG2-CD1 4Å; V34-F56 HydrophobicContact CG2-CE1 4.36Å; V34-R59 HydrophobicContact CG2-CB 3.56Å; V34-A61 HydrophobicContact CG2-CB 4.39Å; V34-A61 WeakPolarHBondContact O-CA 3.42Å; V34-L281 HydrophobicContact CG1-CD2 3.64Å; V34-L281 HydrophobicContact CG2-CD2 4.21Å
35A95.1Very high93.1Very high24 Ų2461.7 Ų61.720%0.19831%0.311CS..THydrogen-bonded Turntrans-61.7129.2177.500000110.1S33 Q37 R59 R60 L105S33-A35 WeakPolarHBondContact OG-CB 3.42Å; S33-A35 PolarHBondContact OG-N 2.91Å; S33-A35 VanDerWaalsContact OG-N 3.16Å; A35-Q37 PolarHBondContact O-N 2.89Å; A35-R59 WeakPolarHBondContact CA-O 3.3Å; A35-R59 PolarHBondContact N-O 3.28Å; A35-R60 WeakPolarHBondContact CA-O 3.22Å; A35-R60 HydrophobicContact CB-CB 3.95Å; A35-L105 HydrophobicContact CB-CD1 4.38Å
36G92.6Very high93.8Very high42 Ų4255 Ų5543%0.43330%0.297SS..THydrogen-bonded Turntrans72.7-3.8-176.700000115.3V34 R60V34-G36 PolarHBondContact O-N 2.96Å; G36-R60 PolarHBondContact N-O 3.38Å
37Q95.5Very high94.3Very high35 Ų3549.9 Ų49.916%0.16428%0.277CS..  trans-77.1135.2176.8-71.9-162.3-19.800111.3V34 A35 C39 L62 S140 H189V34-Q37 HydrophobicContact CB-CB 4.47Å; V34-Q37 WeakPolarHBondContact O-CB 3.42Å; V34-Q37 PolarHBondContact O-N 3.19Å; V34-Q37 VanDerWaalsContact O-N 3.1Å; A35-Q37 PolarHBondContact O-N 2.89Å; Q37-C39 PolarHBondContact O-N 3.39Å; Q37-L62 PolarHBondContact O-N 3.22Å; Q37-S140 VanDerWaalsContact CB-OG 3.32Å; Q37-S140 WeakPolarHBondContact CB-OG 3.24Å; Q37-H189 PolarHBondContact NE2-NE2 3.49Å
38V97.7Very high94.9Very high19 Ų1946.2 Ų46.212%0.11525%0.254CS..EExtended strand (participates in β ladder)trans-75.1109173-175.40000108.9L62 V64 V136 E138 V139 S140 V141V38-L62 WeakPolarHBondContact CA-O 3.33Å; V38-L62 HydrophobicContact CG1-CD2 4.07Å; V38-L62 HydrophobicContact CG2-CD2 4.24Å; V38-V64 HydrophobicContact CG1-CG2 3.97Å; V38-V136 HydrophobicContact CG1-CG1 3.9Å; V38-V136 HydrophobicContact CG2-CG1 4.44Å; V38-E138 WeakPolarHBondContact CB-O 3.45Å; V38-V139 HydrophobicContact CG1-CG2 4.18Å; V38-S140 PolarHBondContact N-OG 2.69Å; V38-S140 VanDerWaalsContact N-OG 3.11Å; V38-S140 PolarHBondContact O-N 3.46Å; V38-S140 PolarHBondContact O-OG 2.71Å; V38-V141 PolarHBondContact O-N 3.19Å
39C98.4Very high95.7Very high0 Ų035.5 Ų35.50%021%0.214CC..EExtended strand (participates in β ladder)trans-110.9112.2-177.8-62.80000110.1Q37 F56 A61 L62 L63 V64 V141Q37-C39 PolarHBondContact O-N 3.39Å; C39-F56 HydrophobicContact CB-CD1 4.16Å; C39-F56 HydrophobicContact CB-CE1 4.43Å; C39-F56 HydrophobicContact CB-CG 4.44Å; C39-A61 HydrophobicContact CB-CB 4.17Å; C39-L62 PolarHBondContact N-O 3.13Å; C39-L63 HydrophobicContact CB-CD2 3.96Å; C39-V64 PolarHBondContact O-N 3.04Å; C39-V141 CarbonylContact C-O 3.52Å; C39-V141 WeakPolarHBondContact CA-O 3.29Å; C39-V141 HydrophobicContact CB-CB 4.21Å
40L98.8Very high96.4Very high0 Ų035.1 Ų35.10%021%0.205CC..EExtended strand (participates in β ladder)trans-95.1132.5176.5-169.1153.8000110.8T42 V64 W66 V132 V139 V141 L142 V143 F180L40-T42 HydrophobicContact CD2-CG2 3.81Å; L40-V64 CarbonylContact C-O 3.59Å; L40-V64 VanDerWaalsContact CA-O 3.27Å; L40-V64 WeakPolarHBondContact CA-O 3.18Å; L40-V64 HydrophobicContact CB-CB 4.15Å; L40-V64 HydrophobicContact CB-CG1 4.49Å; L40-V64 HydrophobicContact CD1-CB 4.3Å; L40-V64 HydrophobicContact CD1-CG1 3.79Å; L40-V64 HydrophobicContact CG-CB 4.06Å; L40-V64 HydrophobicContact CG-CG1 3.89Å; L40-W66 HydrophobicContact CD1-CD2 4.3Å; L40-W66 HydrophobicContact CD1-CZ2 3.91Å; L40-W66 HydrophobicContact CD2-CD2 4.12Å; L40-W66 HydrophobicContact CD2-CE3 4.44Å; L40-W66 HydrophobicContact CD2-CG 4.26Å; L40-V132 HydrophobicContact CD1-CG1 4.45Å; L40-V139 HydrophobicContact CB-CG1 3.72Å; L40-V139 HydrophobicContact CB-CG2 4.11Å; L40-V139 HydrophobicContact CD1-CG2 3.96Å; L40-V141 PolarHBondContact N-O 3.03Å; L40-L142 HydrophobicContact CB-CD1 4.32Å; L40-L142 HydrophobicContact CD2-CD1 3.61Å; L40-L142 HydrophobicContact CG-CD1 4.45Å; L40-V143 PolarHBondContact O-N 3.39Å; L40-F180 HydrophobicContact CD1-CE1 4.12Å; L40-F180 HydrophobicContact CD1-CE2 3.62Å; L40-F180 HydrophobicContact CD1-CZ 3.37Å
41I98.9Very high96.8Very high0 Ų027.1 Ų27.10%017%0.171CC..EExtended strand (participates in β ladder)trans-127.4122.3-179.8-51.5173.9000109.7A44 F52 A53 F56 L63 V64 L65 W66 V143I41-A44 HydrophobicContact CB-CB 4.29Å; I41-A44 HydrophobicContact CG2-CB 4.23Å; I41-F52 HydrophobicContact CD1-CB 4Å; I41-F52 HydrophobicContact CG2-CB 4.39Å; I41-A53 VanDerWaalsContact CD1-CA 3.45Å; I41-A53 HydrophobicContact CD1-CB 3.87Å; I41-F56 HydrophobicContact CD1-CD2 3.92Å; I41-L63 HydrophobicContact CD1-CD2 3.91Å; I41-V64 PolarHBondContact N-O 3.04Å; I41-L65 HydrophobicContact CB-CD2 4.42Å; I41-L65 HydrophobicContact CD1-CD2 4.33Å; I41-W66 PolarHBondContact O-N 2.85Å; I41-V143 HydrophobicContact CB-CB 4.41Å; I41-V143 HydrophobicContact CG1-CB 4.11Å; I41-V143 HydrophobicContact CG1-CG2 4.18Å; I41-V143 HydrophobicContact CG2-CB 4.28Å; I41-V143 HydrophobicContact CG2-CG1 4.38Å
42T98.7Very high97Very high3 Ų322.8 Ų22.82%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-89.6144.7174.368.80000111.9L40 A44 W66 V119 V143 N145 A146 T176L40-T42 HydrophobicContact CD2-CG2 3.81Å; T42-A44 VanDerWaalsContact C-N 3.28Å; T42-W66 CarbonylContact C-O 3.44Å; T42-W66 HydrophobicContact CG2-CB 4.47Å; T42-W66 HydrophobicContact CG2-CE3 4.24Å; T42-V119 HydrophobicContact CG2-CG1 4.24Å; T42-V143 PolarHBondContact N-O 3.09Å; T42-V143 PolarHBondContact OG1-O 2.71Å; T42-N145 WeakPolarHBondContact O-CB 3.45Å; T42-N145 PolarHBondContact O-ND2 3.07Å; T42-N145 PolarHBondContact OG1-N 2.97Å; T42-A146 PolarHBondContact O-N 3.22Å; T42-A146 PolarHBondContact OG1-N 2.93Å; T42-T176 HydrophobicContact CG2-CG2 4.29Å
43G98Very high97.2Very high16 Ų1620.1 Ų20.117%0.16514%0.139CC..THydrogen-bonded Turntrans64.336.1-172.800000111.9G45 G49 W66 D67 N145G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 2.96Å; G43-G49 WeakPolarHBondContact O-CA 3.48Å; G43-W66 WeakPolarHBondContact CA-O 3.38Å; G43-W66 PolarHBondContact N-O 3.25Å; G43-D67 WeakPolarHBondContact CA-OD2 3.43Å; G43-N145 PolarHBondContact O-ND2 3.29Å
44A98.4Very high97.3Very high0 Ų017.3 Ų17.30%012%0.118CC..THydrogen-bonded Turntrans-72.7-16.7-173.500000113.6I41 T42 S46 R50 L65 W66 D67 T76I41-A44 HydrophobicContact CB-CB 4.29Å; I41-A44 HydrophobicContact CG2-CB 4.23Å; T42-A44 VanDerWaalsContact C-N 3.28Å; A44-S46 PolarHBondContact O-N 3.03Å; A44-R50 WeakPolarHBondContact O-CA 3.3Å; A44-R50 WeakPolarHBondContact O-CB 3.38Å; A44-R50 PolarHBondContact O-N 3.21Å; A44-L65 HydrophobicContact CB-CB 3.73Å; A44-L65 HydrophobicContact CB-CD2 3.91Å; A44-L65 HydrophobicContact CB-CG 4.27Å; A44-W66 PolarHBondContact N-O 3.34Å; A44-D67 PolarHBondContact N-OD2 3.4Å; A44-T76 WeakPolarHBondContact O-CG2 3.41Å; A44-T76 PolarHBondContact O-OG1 3.4Å; A44-T76 VanDerWaalsContact O-OG1 3.12Å
45G97.3Very high97.5Very high0 Ų018 Ų180%012%0.121CC..THydrogen-bonded Turntrans-68.6-19.3-173.600000114.1G43 R50 D67 S72 T76G43-G45 VanDerWaalsContact C-N 3.26Å; G43-G45 PolarHBondContact O-N 2.96Å; G45-R50 VanDerWaalsContact O-CZ 3.27Å; G45-R50 PolarHBondContact O-NE 2.65Å; G45-R50 VanDerWaalsContact O-NE 3.13Å; G45-R50 PolarHBondContact O-NH2 3.01Å; G45-D67 VanDerWaalsContact CA-OD2 3.32Å; G45-D67 WeakPolarHBondContact CA-OD2 3.5Å; G45-D67 PolarHBondContact N-OD2 3.35Å; G45-S72 WeakPolarHBondContact CA-O 3.37Å; G45-S72 WeakPolarHBondContact O-CB 3.41Å; G45-S72 VanDerWaalsContact O-O 3.1Å; G45-T76 PolarHBondContact O-OG1 3.07Å
46S96.3Very high97.7Very high71 Ų7116.8 Ų16.850%0.49711%0.112SC..SBendtrans-155.6177.7-177.268.50000113.6A44 L48 G49 R50A44-S46 PolarHBondContact O-N 3.03Å; S46-L48 PolarHBondContact O-N 2.68Å; S46-G49 PolarHBondContact O-N 2.72Å; S46-R50 PolarHBondContact O-N 2.68Å; S46-R50 VanDerWaalsContact O-N 3.08Å
47G95.4Very high97.9Very high31 Ų3114.8 Ų14.832%0.329%0.091SC..Hα-helixtrans54.9-135.9170.500000114G49 L51G47-G49 VanDerWaalsContact C-N 3.32Å; G47-G49 PolarHBondContact O-N 3.3Å; G47-L51 WeakPolarHBondContact O-CG 3.44Å; G47-L51 PolarHBondContact O-N 3.16Å
48L96.8Very high98Very high24 Ų2419 Ų1913%0.12611%0.105CC..Hα-helixtrans-64.3-35.9179.3-65.8-179.8000112.4S46 R50 L51 F52 N145 V195 P243 V246 T248 P269 C272 V273S46-L48 PolarHBondContact O-N 2.68Å; L48-R50 PolarHBondContact O-N 3.16Å; L48-L51 PolarHBondContact O-N 3.05Å; L48-F52 HydrophobicContact CB-CD2 4.34Å; L48-F52 HydrophobicContact CB-CE2 4.25Å; L48-F52 WeakPolarHBondContact O-CD2 3.44Å; L48-F52 PolarHBondContact O-N 3.46Å; L48-N145 WeakPolarHBondContact CB-OD1 3.25Å; L48-V195 HydrophobicContact CD1-CG1 4.32Å; L48-P243 HydrophobicContact CD1-CG 4.32Å; L48-V246 HydrophobicContact CD2-CG1 4.05Å; L48-T248 HydrophobicContact CD2-CG2 4.48Å; L48-T248 HydrophobicContact CG-CG2 4.31Å; L48-P269 HydrophobicContact CD2-CB 4.42Å; L48-C272 HydrophobicContact CD2-CB 4.28Å; L48-V273 HydrophobicContact CB-CG2 4.28Å; L48-V273 HydrophobicContact CD2-CG2 3.55Å
49G98Very high97.9Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-63.1-43.9-178.900000112.2G43 S46 G47 L51 F52 A53 N145G43-G49 WeakPolarHBondContact O-CA 3.48Å; S46-G49 PolarHBondContact O-N 2.72Å; G47-G49 VanDerWaalsContact C-N 3.32Å; G47-G49 PolarHBondContact O-N 3.3Å; G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.15Å; G49-F52 PolarHBondContact O-N 3.16Å; G49-A53 PolarHBondContact O-N 2.68Å; G49-N145 WeakPolarHBondContact CA-ND2 3.31Å; G49-N145 PolarHBondContact N-ND2 3.15Å
50R98.4Very high97.8Very high49 Ų4923.2 Ų23.219%0.18512%0.119CC..Hα-helixtrans-56.7-48.4172.1176.6175.8-69-166.4-2.5111.1A44 G45 S46 L48 F52 A53 L54 S72 E75 T76A44-R50 WeakPolarHBondContact O-CA 3.3Å; A44-R50 WeakPolarHBondContact O-CB 3.38Å; A44-R50 PolarHBondContact O-N 3.21Å; G45-R50 VanDerWaalsContact O-CZ 3.27Å; G45-R50 PolarHBondContact O-NE 2.65Å; G45-R50 VanDerWaalsContact O-NE 3.13Å; G45-R50 PolarHBondContact O-NH2 3.01Å; S46-R50 PolarHBondContact O-N 2.68Å; S46-R50 VanDerWaalsContact O-N 3.08Å; L48-R50 PolarHBondContact O-N 3.16Å; R50-F52 PolarHBondContact O-N 2.64Å; R50-A53 WeakPolarHBondContact O-CB 3.47Å; R50-A53 PolarHBondContact O-N 2.95Å; R50-A53 VanDerWaalsContact O-N 3.16Å; R50-L54 WeakPolarHBondContact O-CG 3.45Å; R50-L54 PolarHBondContact O-N 3.36Å; R50-S72 PolarHBondContact NH2-O 3.46Å; R50-E75 IonicContact CZ-OE2 2.86Å; R50-E75 IonicContact NH1-OE2 3.85Å; R50-E75 IonicContact NH2-OE2 2.71Å; R50-E75 PolarHBondContact NH2-OE2 2.81Å; R50-T76 HydrophobicContact CB-CG2 4.21Å; R50-T76 HydrophobicContact CG-CG2 3.88Å; R50-T76 PolarHBondContact NE-OG1 3.09Å
51L98.5Very high97.7Very high28 Ų2823.2 Ų23.215%0.14712%0.119CC..Hα-helixtrans-67.2-36.9-178.6-68178.9000113G47 L48 G49 A53 L54 E55 P269 D270 V273G47-L51 WeakPolarHBondContact O-CG 3.44Å; G47-L51 PolarHBondContact O-N 3.16Å; L48-L51 PolarHBondContact O-N 3.05Å; G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.15Å; L51-A53 VanDerWaalsContact C-N 3.33Å; L51-L54 HydrophobicContact CD2-CD1 4.39Å; L51-L54 PolarHBondContact O-N 3.19Å; L51-E55 PolarHBondContact O-N 2.95Å; L51-P269 HydrophobicContact CD1-CB 3.34Å; L51-D270 WeakPolarHBondContact CD2-OD1 3.44Å; L51-V273 HydrophobicContact CB-CB 4.09Å; L51-V273 HydrophobicContact CB-CG1 4.17Å; L51-V273 HydrophobicContact CB-CG2 3.59Å; L51-V273 HydrophobicContact CD1-CG2 4.24Å
52F98.7Very high97.6Very high1 Ų123.9 Ų23.90%0.00412%0.123CC..Hα-helixtrans-57.9-47.9169.7-82.8-65.4000110.3I41 L48 G49 R50 L54 E55 F56 V143 V195 V273 A276 M277 I280I41-F52 HydrophobicContact CD1-CB 4Å; I41-F52 HydrophobicContact CG2-CB 4.39Å; L48-F52 HydrophobicContact CB-CD2 4.34Å; L48-F52 HydrophobicContact CB-CE2 4.25Å; L48-F52 WeakPolarHBondContact O-CD2 3.44Å; L48-F52 PolarHBondContact O-N 3.46Å; G49-F52 PolarHBondContact O-N 3.16Å; R50-F52 PolarHBondContact O-N 2.64Å; F52-L54 VanDerWaalsContact C-N 3.31Å; F52-L54 PolarHBondContact O-N 3.43Å; F52-E55 PolarHBondContact O-N 2.99Å; F52-E55 VanDerWaalsContact O-N 3.13Å; F52-F56 HydrophobicContact CB-CD2 4.41Å; F52-F56 HydrophobicContact CD1-CE2 4.23Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.27Å; F52-F56 PolarHBondContact O-N 2.65Å; F52-V143 HydrophobicContact CD2-CG1 4.32Å; F52-V143 HydrophobicContact CG-CG1 4.43Å; F52-V195 HydrophobicContact CE2-CG2 3.88Å; F52-V195 HydrophobicContact CZ-CG2 4.25Å; F52-V273 HydrophobicContact CD1-CG1 3.76Å; F52-V273 HydrophobicContact CD2-CG2 4.33Å; F52-V273 HydrophobicContact CE1-CG1 4.04Å; F52-V273 HydrophobicContact CE2-CG2 4.3Å; F52-V273 HydrophobicContact CG-CG1 4.06Å; F52-A276 HydrophobicContact CE1-CB 3.72Å; F52-A276 HydrophobicContact CZ-CB 3.57Å; F52-M277 HydrophobicContact CD1-CG 4.18Å; F52-M277 HydrophobicContact CD1-SD 3.73Å; F52-M277 HydrophobicContact CE1-CG 4.3Å; F52-M277 HydrophobicContact CE1-SD 4.13Å; F52-I280 HydrophobicContact CD1-CD1 4.39Å; F52-I280 HydrophobicContact CE1-CD1 3.74Å
53A98.8Very high97.6Very high0 Ų023.8 Ų23.80%012%0.122CC..Hα-helixtrans-56.4-44.9178.200000111.7I41 G49 R50 L51 E55 F56 A57 L63 L65 T76 V80I41-A53 VanDerWaalsContact CD1-CA 3.45Å; I41-A53 HydrophobicContact CD1-CB 3.87Å; G49-A53 PolarHBondContact O-N 2.68Å; R50-A53 WeakPolarHBondContact O-CB 3.47Å; R50-A53 PolarHBondContact O-N 2.95Å; R50-A53 VanDerWaalsContact O-N 3.16Å; L51-A53 VanDerWaalsContact C-N 3.33Å; A53-E55 PolarHBondContact O-N 3.48Å; A53-F56 PolarHBondContact O-N 3.29Å; A53-A57 VanDerWaalsContact O-CB 3.27Å; A53-A57 WeakPolarHBondContact O-CB 3.41Å; A53-A57 PolarHBondContact O-N 2.92Å; A53-L63 HydrophobicContact CB-CD1 4.37Å; A53-L63 VanDerWaalsContact O-CD1 3.23Å; A53-L63 WeakPolarHBondContact O-CD1 3.37Å; A53-L65 HydrophobicContact CB-CD1 4.46Å; A53-L65 HydrophobicContact CB-CD2 3.72Å; A53-T76 HydrophobicContact CB-CG2 3.87Å; A53-V80 HydrophobicContact CB-CG2 4.18Å
54L98.7Very high97.6Very high19 Ų1923 Ų2310%0.09911%0.114CC..Hα-helixtrans-64.7-39.9177.4-56.4-174.7000112.8R50 L51 F52 A57 R58 M79 V80 I83R50-L54 WeakPolarHBondContact O-CG 3.45Å; R50-L54 PolarHBondContact O-N 3.36Å; L51-L54 HydrophobicContact CD2-CD1 4.39Å; L51-L54 PolarHBondContact O-N 3.19Å; F52-L54 VanDerWaalsContact C-N 3.31Å; F52-L54 PolarHBondContact O-N 3.43Å; L54-A57 PolarHBondContact O-N 3.45Å; L54-R58 WeakPolarHBondContact O-CG 3.42Å; L54-R58 PolarHBondContact O-N 2.88Å; L54-M79 HydrophobicContact CD1-SD 4.49Å; L54-M79 HydrophobicContact CD2-CB 3.56Å; L54-V80 HydrophobicContact CD2-CG2 4.13Å; L54-I83 HydrophobicContact CB-CD1 3.98Å; L54-I83 HydrophobicContact CD2-CD1 3.78Å; L54-I83 HydrophobicContact CG-CD1 4.38Å
55E98.4Very high97.7Very high15 Ų1523 Ų237%0.0711%0.114CC..Hα-helixtrans-71.2-35.6179-74.5-65.5133.900113.2L51 F52 A53 R58 R59 V273 M277L51-E55 PolarHBondContact O-N 2.95Å; F52-E55 PolarHBondContact O-N 2.99Å; F52-E55 VanDerWaalsContact O-N 3.13Å; A53-E55 PolarHBondContact O-N 3.48Å; E55-R58 IonicContact OE1-CZ 2.9Å; E55-R58 IonicContact OE1-NH1 3.54Å; E55-R58 PolarHBondContact OE1-NH1 3.2Å; E55-R59 WeakPolarHBondContact O-CG 3.32Å; E55-R59 PolarHBondContact O-NH1 3.2Å; E55-R59 IonicContact OE2-CZ 2.65Å; E55-R59 IonicContact OE2-NH1 3.75Å; E55-R59 PolarHBondContact OE2-NH1 2.96Å; E55-R59 IonicContact OE2-NH2 2.68Å; E55-R59 PolarHBondContact OE2-NH2 3.36Å; E55-V273 HydrophobicContact CB-CG1 4.38Å; E55-V273 HydrophobicContact CG-CG1 3.89Å; E55-M277 HydrophobicContact CB-CE 4.18Å; E55-M277 HydrophobicContact CB-CG 3.72Å; E55-M277 HydrophobicContact CB-SD 4.17Å; E55-M277 HydrophobicContact CG-CG 4.18Å
56F98.3Very high97.7Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-69.3-38.5171.2-83.8-74.3000111.5V34 C39 I41 F52 A53 R58 R59 R60 A61 L63 V141 V143 M277 I280V34-F56 HydrophobicContact CB-CD1 4.43Å; V34-F56 HydrophobicContact CB-CE1 4.48Å; V34-F56 HydrophobicContact CG1-CE1 4.2Å; V34-F56 HydrophobicContact CG2-CD1 4Å; V34-F56 HydrophobicContact CG2-CE1 4.36Å; C39-F56 HydrophobicContact CB-CD1 4.16Å; C39-F56 HydrophobicContact CB-CE1 4.43Å; C39-F56 HydrophobicContact CB-CG 4.44Å; I41-F56 HydrophobicContact CD1-CD2 3.92Å; F52-F56 HydrophobicContact CB-CD2 4.41Å; F52-F56 HydrophobicContact CD1-CE2 4.23Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.27Å; F52-F56 PolarHBondContact O-N 2.65Å; A53-F56 PolarHBondContact O-N 3.29Å; F56-R58 PolarHBondContact O-N 3.05Å; F56-R59 CarbonylContact O-C 3.44Å; F56-R59 WeakPolarHBondContact O-CA 3.29Å; F56-R59 PolarHBondContact O-N 3.15Å; F56-R60 PolarHBondContact O-N 3.45Å; F56-A61 HydrophobicContact CB-CB 4.05Å; F56-A61 HydrophobicContact CD1-CB 4.16Å; F56-A61 PolarHBondContact O-N 3.15Å; F56-L63 HydrophobicContact CB-CD2 3.75Å; F56-L63 HydrophobicContact CG-CD2 4.5Å; F56-V141 HydrophobicContact CE1-CG1 4.28Å; F56-V141 HydrophobicContact CZ-CG1 4.06Å; F56-V143 HydrophobicContact CE2-CG2 3.79Å; F56-V143 HydrophobicContact CZ-CG2 4.08Å; F56-M277 HydrophobicContact CD1-CE 3.96Å; F56-M277 HydrophobicContact CD2-CE 4.04Å; F56-M277 HydrophobicContact CD2-SD 3.85Å; F56-M277 HydrophobicContact CE1-CE 3.94Å; F56-M277 HydrophobicContact CE1-SD 4.44Å; F56-M277 HydrophobicContact CE2-CE 4Å; F56-M277 HydrophobicContact CE2-SD 3.51Å; F56-M277 VanDerWaalsContact CE2-SD 3.51Å; F56-M277 HydrophobicContact CG-CE 4Å; F56-M277 HydrophobicContact CG-SD 4.42Å; F56-M277 HydrophobicContact CZ-CE 3.96Å; F56-M277 HydrophobicContact CZ-SD 3.85Å; F56-I280 HydrophobicContact CZ-CG2 4.23Å
57A97.9Very high97.8Very high0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-60.5-45.2176.200000111.7A53 L54 R59 R60 L63 V80 I83 Y84 L87A53-A57 VanDerWaalsContact O-CB 3.27Å; A53-A57 WeakPolarHBondContact O-CB 3.41Å; A53-A57 PolarHBondContact O-N 2.92Å; L54-A57 PolarHBondContact O-N 3.45Å; A57-R59 PolarHBondContact O-N 3.25Å; A57-R60 PolarHBondContact O-N 2.76Å; A57-L63 HydrophobicContact CB-CD1 3.83Å; A57-V80 HydrophobicContact CB-CB 4.39Å; A57-V80 HydrophobicContact CB-CG1 3.9Å; A57-V80 HydrophobicContact CB-CG2 4.15Å; A57-I83 HydrophobicContact CB-CB 4.31Å; A57-I83 HydrophobicContact CB-CD1 4.18Å; A57-I83 HydrophobicContact CB-CG2 4.02Å; A57-Y84 HydrophobicContact CB-CD1 4.4Å; A57-Y84 HydrophobicContact CB-CE1 3.71Å; A57-L87 WeakPolarHBondContact O-CD1 3.44Å
58R96.7Very high97.9Very high124 Ų12423.8 Ų23.847%0.46810%0.104SC..THydrogen-bonded Turntrans-58.6-20.7174.1-73.1175.1-175.3123.510.5113.5L54 E55 F56 I83L54-R58 WeakPolarHBondContact O-CG 3.42Å; L54-R58 PolarHBondContact O-N 2.88Å; E55-R58 IonicContact OE1-CZ 2.9Å; E55-R58 IonicContact OE1-NH1 3.54Å; E55-R58 PolarHBondContact OE1-NH1 3.2Å; F56-R58 PolarHBondContact O-N 3.05Å; R58-I83 HydrophobicContact CG-CD1 4.31Å; R58-I83 HydrophobicContact CG-CG2 3.95Å
59R96Very high98Very high72 Ų7226.1 Ų26.127%0.27212%0.117SC..THydrogen-bonded Turntrans-104.518.2178.7-66.9173.117875.9-3.9112.7V34 A35 E55 F56 A57 A61V34-R59 HydrophobicContact CG2-CB 3.56Å; A35-R59 WeakPolarHBondContact CA-O 3.3Å; A35-R59 PolarHBondContact N-O 3.28Å; E55-R59 WeakPolarHBondContact O-CG 3.32Å; E55-R59 PolarHBondContact O-NH1 3.2Å; E55-R59 IonicContact OE2-CZ 2.65Å; E55-R59 IonicContact OE2-NH1 3.75Å; E55-R59 PolarHBondContact OE2-NH1 2.96Å; E55-R59 IonicContact OE2-NH2 2.68Å; E55-R59 PolarHBondContact OE2-NH2 3.36Å; F56-R59 CarbonylContact O-C 3.44Å; F56-R59 WeakPolarHBondContact O-CA 3.29Å; F56-R59 PolarHBondContact O-N 3.15Å; A57-R59 PolarHBondContact O-N 3.25Å; R59-A61 PolarHBondContact O-N 3.33Å
60R96.1Very high98Very high35 Ų3529.4 Ų29.413%0.13214%0.137CC..THydrogen-bonded Turntrans61.725.8172-59.8171.9175.6-94.9-1.8114.4A35 G36 F56 A57 L87 D91 L110A35-R60 WeakPolarHBondContact CA-O 3.22Å; A35-R60 HydrophobicContact CB-CB 3.95Å; G36-R60 PolarHBondContact N-O 3.38Å; F56-R60 PolarHBondContact O-N 3.45Å; A57-R60 PolarHBondContact O-N 2.76Å; R60-L87 HydrophobicContact CG-CD1 4.04Å; R60-D91 IonicContact CZ-OD1 3.94Å; R60-D91 IonicContact CZ-OD2 2.68Å; R60-D91 VanDerWaalsContact CZ-OD2 3.27Å; R60-D91 IonicContact NH1-OD1 2.99Å; R60-D91 IonicContact NH1-OD2 3.59Å; R60-D91 PolarHBondContact NH1-OD2 3.41Å; R60-D91 IonicContact NH2-OD1 3.27Å; R60-D91 PolarHBondContact NH2-OD1 3.05Å; R60-D91 IonicContact NH2-OD2 2.68Å; R60-D91 PolarHBondContact NH2-OD2 3.12Å; R60-L110 HydrophobicContact CB-CD2 3.74Å; R60-L110 HydrophobicContact CG-CD2 4.12Å
61A97Very high98Very high0 Ų033.6 Ų33.60%016%0.159CC..  trans-68.3151.5170.800000110.5V34 C39 F56 R59 Y84V34-A61 HydrophobicContact CG2-CB 4.39Å; V34-A61 WeakPolarHBondContact O-CA 3.42Å; C39-A61 HydrophobicContact CB-CB 4.17Å; F56-A61 HydrophobicContact CB-CB 4.05Å; F56-A61 HydrophobicContact CD1-CB 4.16Å; F56-A61 PolarHBondContact O-N 3.15Å; R59-A61 PolarHBondContact O-N 3.33Å; A61-Y84 PolarHBondContact O-OH 2.84Å
62L97.4Very high98Very high14 Ų1433.6 Ų33.67%0.07316%0.161CC..EExtended strand (participates in β ladder)trans-82.7130163.1-174.1156.5000107.5Q37 V38 C39 V64 Q111 F113 V136Q37-L62 PolarHBondContact O-N 3.22Å; V38-L62 WeakPolarHBondContact CA-O 3.33Å; V38-L62 HydrophobicContact CG1-CD2 4.07Å; V38-L62 HydrophobicContact CG2-CD2 4.24Å; C39-L62 PolarHBondContact N-O 3.13Å; L62-V64 HydrophobicContact CD2-CG2 4.37Å; L62-Q111 HydrophobicContact CD1-CB 4.32Å; L62-Q111 HydrophobicContact CG-CB 4.32Å; L62-F113 HydrophobicContact CD1-CE2 4.42Å; L62-F113 HydrophobicContact CD2-CD2 4.02Å; L62-F113 HydrophobicContact CD2-CE2 4.04Å; L62-F113 HydrophobicContact CG-CE2 4.49Å; L62-V136 HydrophobicContact CD1-CG1 4.47Å; L62-V136 HydrophobicContact CD2-CG1 3.34Å
63L98.6Very high98Very high0 Ų033.6 Ų33.60%016%0.161CC..EExtended strand (participates in β ladder)trans-108.4135.2-170.6-75.4174.6000113.6C39 I41 A53 F56 A57 L65 V80 Y84 Q111 V112 F113C39-L63 HydrophobicContact CB-CD2 3.96Å; I41-L63 HydrophobicContact CD1-CD2 3.91Å; A53-L63 HydrophobicContact CB-CD1 4.37Å; A53-L63 VanDerWaalsContact O-CD1 3.23Å; A53-L63 WeakPolarHBondContact O-CD1 3.37Å; F56-L63 HydrophobicContact CB-CD2 3.75Å; F56-L63 HydrophobicContact CG-CD2 4.5Å; A57-L63 HydrophobicContact CB-CD1 3.83Å; L63-L65 HydrophobicContact CB-CD2 4.13Å; L63-L65 HydrophobicContact CD2-CD2 4.44Å; L63-V80 HydrophobicContact CD1-CB 4.45Å; L63-V80 HydrophobicContact CD1-CG1 3.72Å; L63-V80 HydrophobicContact CD1-CG2 3.82Å; L63-Y84 WeakPolarHBondContact CD1-OH 3.33Å; L63-Y84 WeakPolarHBondContact CG-OH 3.36Å; L63-Q111 PolarHBondContact N-O 3.11Å; L63-V112 HydrophobicContact CB-CB 4.22Å; L63-V112 HydrophobicContact CB-CG2 3.91Å; L63-V112 CarbonylContact O-C 3.39Å; L63-V112 WeakPolarHBondContact O-CA 3.22Å; L63-F113 PolarHBondContact O-N 2.91Å
64V98.7Very high98Very high0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-119.5112169.3178.80000108.3V38 C39 L40 I41 L62 F113 Y115 V132 V136V38-V64 HydrophobicContact CG1-CG2 3.97Å; C39-V64 PolarHBondContact O-N 3.04Å; L40-V64 CarbonylContact C-O 3.59Å; L40-V64 VanDerWaalsContact CA-O 3.27Å; L40-V64 WeakPolarHBondContact CA-O 3.18Å; L40-V64 HydrophobicContact CB-CB 4.15Å; L40-V64 HydrophobicContact CB-CG1 4.49Å; L40-V64 HydrophobicContact CD1-CB 4.3Å; L40-V64 HydrophobicContact CD1-CG1 3.79Å; L40-V64 HydrophobicContact CG-CB 4.06Å; L40-V64 HydrophobicContact CG-CG1 3.89Å; I41-V64 PolarHBondContact N-O 3.04Å; L62-V64 HydrophobicContact CD2-CG2 4.37Å; V64-F113 WeakPolarHBondContact CA-O 3.33Å; V64-Y115 HydrophobicContact CG1-CD2 3.79Å; V64-Y115 HydrophobicContact CG1-CE2 3.79Å; V64-V132 HydrophobicContact CG1-CG1 4.04Å; V64-V132 HydrophobicContact CG1-CG2 3.69Å; V64-V132 HydrophobicContact CG2-CG1 4.16Å; V64-V136 HydrophobicContact CG2-CB 4.36Å; V64-V136 HydrophobicContact CG2-CG1 3.9Å; V64-V136 HydrophobicContact CG2-CG2 4.15Å
65L98.9Very high98Very high0 Ų040.1 Ų40.10%019%0.191CC..EExtended strand (participates in β ladder)trans-107.2117.5-172-53.9-173.4000110.4I41 A44 A53 L63 N73 T76 A77 V112 F113 T114 Y115I41-L65 HydrophobicContact CB-CD2 4.42Å; I41-L65 HydrophobicContact CD1-CD2 4.33Å; A44-L65 HydrophobicContact CB-CB 3.73Å; A44-L65 HydrophobicContact CB-CD2 3.91Å; A44-L65 HydrophobicContact CB-CG 4.27Å; A53-L65 HydrophobicContact CB-CD1 4.46Å; A53-L65 HydrophobicContact CB-CD2 3.72Å; L63-L65 HydrophobicContact CB-CD2 4.13Å; L63-L65 HydrophobicContact CD2-CD2 4.44Å; L65-N73 VanDerWaalsContact CB-OD1 3.28Å; L65-N73 WeakPolarHBondContact CB-OD1 3.32Å; L65-N73 PolarHBondContact O-ND2 3.23Å; L65-T76 HydrophobicContact CD1-CG2 3.88Å; L65-A77 HydrophobicContact CD1-CB 4.19Å; L65-V112 HydrophobicContact CD1-CG2 3.63Å; L65-V112 HydrophobicContact CG-CG2 3.82Å; L65-F113 PolarHBondContact N-O 2.9Å; L65-T114 HydrophobicContact CB-CG2 4.38Å; L65-T114 WeakPolarHBondContact O-CA 3.17Å; L65-Y115 PolarHBondContact O-N 2.86Å
66W98.8Very high98Very high1 Ų139.4 Ų39.40%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-107.7128.4177-75.218.1000110.3L40 I41 T42 G43 A44 Y115 C117 V119 V125 T128 A129 V132 T176 F180L40-W66 HydrophobicContact CD1-CD2 4.3Å; L40-W66 HydrophobicContact CD1-CZ2 3.91Å; L40-W66 HydrophobicContact CD2-CD2 4.12Å; L40-W66 HydrophobicContact CD2-CE3 4.44Å; L40-W66 HydrophobicContact CD2-CG 4.26Å; I41-W66 PolarHBondContact O-N 2.85Å; T42-W66 CarbonylContact C-O 3.44Å; T42-W66 HydrophobicContact CG2-CB 4.47Å; T42-W66 HydrophobicContact CG2-CE3 4.24Å; G43-W66 WeakPolarHBondContact CA-O 3.38Å; G43-W66 PolarHBondContact N-O 3.25Å; A44-W66 PolarHBondContact N-O 3.34Å; W66-Y115 AromaticContact CD1-CD2 3.89Å; W66-Y115 AromaticContact NE1-CD2 3.66Å; W66-Y115 AromaticContact NE1-CG 3.88Å; W66-C117 HydrophobicContact CB-CB 4.19Å; W66-C117 HydrophobicContact CD2-CB 3.9Å; W66-C117 HydrophobicContact CE3-CB 3.8Å; W66-C117 HydrophobicContact CG-CB 4.1Å; W66-C117 HydrophobicContact CZ3-CB 4.47Å; W66-V119 HydrophobicContact CE3-CG1 4.33Å; W66-V125 WeakPolarHBondContact CH2-O 3.22Å; W66-V125 HydrophobicContact CZ3-CG1 4.18Å; W66-T128 HydrophobicContact CD2-CG2 4.1Å; W66-T128 HydrophobicContact CH2-CG2 4.02Å; W66-T128 HydrophobicContact CZ2-CG2 3.37Å; W66-A129 HydrophobicContact CH2-CB 4.07Å; W66-A129 HydrophobicContact CZ2-CB 4.46Å; W66-V132 HydrophobicContact CZ2-CG2 3.85Å; W66-T176 HydrophobicContact CZ3-CG2 4.37Å; W66-F180 AromaticContact CH2-CE2 3.96Å; W66-F180 HydrophobicContact CH2-CE2 3.96Å; W66-F180 AromaticContact CH2-CZ 3.84Å; W66-F180 HydrophobicContact CH2-CZ 3.84Å; W66-F180 HydrophobicContact CZ2-CE2 4.29Å; W66-F180 AromaticContact CZ2-CZ 3.81Å; W66-F180 HydrophobicContact CZ2-CZ 3.81Å
67D98.6Very high98Very high18 Ų1839.4 Ų39.410%0.09619%0.187CC..EExtended strand (participates in β ladder)trans-151.6155.7169.3-153.6-72.9000110.2G43 A44 G45 N69 N73 Y115 T116 C117G43-D67 WeakPolarHBondContact CA-OD2 3.43Å; A44-D67 PolarHBondContact N-OD2 3.4Å; G45-D67 VanDerWaalsContact CA-OD2 3.32Å; G45-D67 WeakPolarHBondContact CA-OD2 3.5Å; G45-D67 PolarHBondContact N-OD2 3.35Å; D67-N69 VanDerWaalsContact C-N 3.32Å; D67-N69 PolarHBondContact OD1-N 2.71Å; D67-N73 HydrophobicContact CB-CB 3.83Å; D67-Y115 PolarHBondContact N-O 2.83Å; D67-T116 CarbonylContact O-C 3.58Å; D67-T116 VanDerWaalsContact O-CA 3.26Å; D67-T116 WeakPolarHBondContact O-CA 3.48Å; D67-C117 CarbonylContact C-O 3.36Å; D67-C117 PolarHBondContact O-N 3.22Å
68I97.8Very high98Very high99 Ų9941 Ų4151%0.50820%0.204SC..SBendtrans-74.7-28.5172.2-166.1172.2000111.1C117 D118I68-C117 PolarHBondContact N-O 3.5Å; I68-D118 HydrophobicContact CD1-CB 3.89Å; I68-D118 HydrophobicContact CG1-CB 4.17Å
69N97.8Very high98.1Very high73 Ų7338.7 Ų38.739%0.3920%0.199SC..  trans-92.999.9177.6-174.1-33.1000110.5D67 Q71 S72 N73D67-N69 VanDerWaalsContact C-N 3.32Å; D67-N69 PolarHBondContact OD1-N 2.71Å; N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 PolarHBondContact O-N 3.07Å; N69-Q71 WeakPolarHBondContact OD1-CB 3.29Å; N69-Q71 PolarHBondContact OD1-N 3.11Å; N69-S72 PolarHBondContact ND2-OG 2.93Å; N69-S72 PolarHBondContact O-N 3.45Å; N69-S72 PolarHBondContact OD1-N 3.23Å; N69-N73 WeakPolarHBondContact O-CB 3.45Å; N69-N73 PolarHBondContact O-N 2.78Å
70T98.1Very high98.2Very high70 Ų7035.2 Ų35.243%0.42919%0.186SC..Hα-helixtrans-55-42.7178.6-48.80000112.9N73 E74 T116T70-N73 PolarHBondContact O-N 3.43Å; T70-E74 PolarHBondContact O-N 3.24Å; T70-T116 WeakPolarHBondContact OG1-CG2 3.46Å; T70-T116 PolarHBondContact OG1-OG1 3.35Å
71Q98.4Very high98.3Very high137 Ų13738.4 Ų38.464%0.6420%0.198SC*.Hα-helixtrans-64.8-51.9-176.6-177.8-179.13.700111.3N69 N73 E74 E75N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 PolarHBondContact O-N 3.07Å; N69-Q71 WeakPolarHBondContact OD1-CB 3.29Å; N69-Q71 PolarHBondContact OD1-N 3.11Å; Q71-N73 PolarHBondContact O-N 3.39Å; Q71-E74 PolarHBondContact O-N 2.77Å; Q71-E75 WeakPolarHBondContact O-CG 3.41Å; Q71-E75 PolarHBondContact O-N 3.16Å
72S98.1Very high98.4Very high27 Ų2743 Ų4319%0.18922%0.219CC..Hα-helixtrans-65.7-28.6178.7-58.20000112.5G45 R50 N69 T76G45-S72 WeakPolarHBondContact CA-O 3.37Å; G45-S72 WeakPolarHBondContact O-CB 3.41Å; G45-S72 VanDerWaalsContact O-O 3.1Å; R50-S72 PolarHBondContact NH2-O 3.46Å; N69-S72 PolarHBondContact ND2-OG 2.93Å; N69-S72 PolarHBondContact O-N 3.45Å; N69-S72 PolarHBondContact OD1-N 3.23Å; S72-T76 PolarHBondContact O-N 3.44Å; S72-T76 PolarHBondContact O-OG1 3.14Å
73N98.4Very high98.4Very high2 Ų243.3 Ų43.31%0.01122%0.221CC..Hα-helixtrans-68.1-46.3173.1-154.321.7000111.7L65 D67 N69 T70 Q71 E75 T76 A77 Y115L65-N73 VanDerWaalsContact CB-OD1 3.28Å; L65-N73 WeakPolarHBondContact CB-OD1 3.32Å; L65-N73 PolarHBondContact O-ND2 3.23Å; D67-N73 HydrophobicContact CB-CB 3.83Å; N69-N73 WeakPolarHBondContact O-CB 3.45Å; N69-N73 PolarHBondContact O-N 2.78Å; T70-N73 PolarHBondContact O-N 3.43Å; Q71-N73 PolarHBondContact O-N 3.39Å; N73-E75 VanDerWaalsContact C-N 3.35Å; N73-E75 PolarHBondContact O-N 3.11Å; N73-T76 WeakPolarHBondContact O-CB 3.27Å; N73-T76 PolarHBondContact O-N 3.46Å; N73-T76 VanDerWaalsContact O-N 3.16Å; N73-A77 PolarHBondContact O-N 3.41Å; N73-Y115 PolarHBondContact ND2-O 3.02Å
74E98.5Very high98.3Very high70 Ų7043.7 Ų43.733%0.32722%0.223SC..Hα-helixtrans-64.8-35.7176-76-55.2147.400113T70 Q71 T76 A77 G78 R81 T114T70-E74 PolarHBondContact O-N 3.24Å; Q71-E74 PolarHBondContact O-N 2.77Å; E74-T76 VanDerWaalsContact C-N 3.3Å; E74-T76 PolarHBondContact O-N 3.03Å; E74-A77 PolarHBondContact O-N 3.06Å; E74-G78 PolarHBondContact O-N 3.21Å; E74-R81 IonicContact OE2-CZ 3.69Å; E74-R81 IonicContact OE2-NH1 3.35Å; E74-R81 PolarHBondContact OE2-NH1 3.35Å; E74-R81 IonicContact OE2-NH2 3.88Å; E74-R81 PolarHBondContact OE2-NH2 2.88Å; E74-T114 WeakPolarHBondContact OE1-CB 3.3Å; E74-T114 WeakPolarHBondContact OE1-CG2 3.44Å; E74-T114 PolarHBondContact OE1-OG1 3.46Å
75E98.6Very high98.2Very high85 Ų8550.9 Ų50.940%0.39725%0.25SC..Hα-helixtrans-57.8-45.8171-74171.2-167.600111.3R50 Q71 N73 G78 M79R50-E75 IonicContact CZ-OE2 2.86Å; R50-E75 IonicContact NH1-OE2 3.85Å; R50-E75 IonicContact NH2-OE2 2.71Å; R50-E75 PolarHBondContact NH2-OE2 2.81Å; Q71-E75 WeakPolarHBondContact O-CG 3.41Å; Q71-E75 PolarHBondContact O-N 3.16Å; N73-E75 VanDerWaalsContact C-N 3.35Å; N73-E75 PolarHBondContact O-N 3.11Å; E75-G78 PolarHBondContact O-N 2.87Å; E75-M79 WeakPolarHBondContact O-CG 3.49Å; E75-M79 PolarHBondContact O-N 3.36Å
76T98.7Very high98Very high0 Ų055.1 Ų55.10%027%0.272CS..Hα-helixtrans-63.5-43.6177.3-57.50000110.9A44 G45 R50 A53 L65 S72 N73 E74 G78 M79 V80A44-T76 WeakPolarHBondContact O-CG2 3.41Å; A44-T76 PolarHBondContact O-OG1 3.4Å; A44-T76 VanDerWaalsContact O-OG1 3.12Å; G45-T76 PolarHBondContact O-OG1 3.07Å; R50-T76 HydrophobicContact CB-CG2 4.21Å; R50-T76 HydrophobicContact CG-CG2 3.88Å; R50-T76 PolarHBondContact NE-OG1 3.09Å; A53-T76 HydrophobicContact CB-CG2 3.87Å; L65-T76 HydrophobicContact CD1-CG2 3.88Å; S72-T76 PolarHBondContact O-N 3.44Å; S72-T76 PolarHBondContact O-OG1 3.14Å; N73-T76 WeakPolarHBondContact O-CB 3.27Å; N73-T76 PolarHBondContact O-N 3.46Å; N73-T76 VanDerWaalsContact O-N 3.16Å; E74-T76 VanDerWaalsContact C-N 3.3Å; E74-T76 PolarHBondContact O-N 3.03Å; T76-G78 VanDerWaalsContact C-N 3.3Å; T76-G78 PolarHBondContact O-N 2.89Å; T76-M79 WeakPolarHBondContact O-CB 3.38Å; T76-M79 PolarHBondContact O-N 3.11Å; T76-V80 WeakPolarHBondContact O-CG2 3.34Å; T76-V80 PolarHBondContact O-N 3.14Å
77A98.7Very high97.8Very high0 Ų056.8 Ų56.80%028%0.281CS..Hα-helixtrans-61.6-37.8174.800000112.2L65 N73 E74 M79 V80 R81 V112 T114L65-A77 HydrophobicContact CD1-CB 4.19Å; N73-A77 PolarHBondContact O-N 3.41Å; E74-A77 PolarHBondContact O-N 3.06Å; A77-M79 PolarHBondContact O-N 2.86Å; A77-V80 WeakPolarHBondContact O-CB 3.21Å; A77-V80 PolarHBondContact O-N 3.11Å; A77-R81 VanDerWaalsContact O-CG 3.25Å; A77-R81 WeakPolarHBondContact O-CG 3.17Å; A77-R81 PolarHBondContact O-N 3.25Å; A77-V112 HydrophobicContact CB-CG1 4.29Å; A77-V112 HydrophobicContact CB-CG2 4.08Å; A77-T114 HydrophobicContact CB-CG2 3.42Å; A77-T114 VanDerWaalsContact CB-CG2 3.42Å
78G98.6Very high97.4Very high33 Ų3360.6 Ų60.634%0.3430%0.298SS..Hα-helixtrans-59.8-43.2172.700000112.8E74 E75 T76 R81 H82E74-G78 PolarHBondContact O-N 3.21Å; E75-G78 PolarHBondContact O-N 2.87Å; T76-G78 VanDerWaalsContact C-N 3.3Å; T76-G78 PolarHBondContact O-N 2.89Å; G78-R81 PolarHBondContact O-N 3.1Å; G78-H82 PolarHBondContact O-N 3.34Å
79M98.7Very high97.2Very high76 Ų7658.8 Ų58.837%0.37430%0.298SS..Hα-helixtrans-64.1-40.1174.2-63.5177.6-169.700112L54 E75 T76 A77 H82 I83L54-M79 HydrophobicContact CD1-SD 4.49Å; L54-M79 HydrophobicContact CD2-CB 3.56Å; E75-M79 WeakPolarHBondContact O-CG 3.49Å; E75-M79 PolarHBondContact O-N 3.36Å; T76-M79 WeakPolarHBondContact O-CB 3.38Å; T76-M79 PolarHBondContact O-N 3.11Å; A77-M79 PolarHBondContact O-N 2.86Å; M79-H82 WeakPolarHBondContact O-CB 3.43Å; M79-H82 PolarHBondContact O-N 3.04Å; M79-I83 WeakPolarHBondContact O-CG1 3.47Å; M79-I83 PolarHBondContact O-N 3Å; M79-I83 VanDerWaalsContact O-N 3.15Å
80V98.6Very high96.8Very high0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-63.3-46.5174.8167.60000111.4A53 L54 A57 L63 T76 A77 H82 I83 Y84 V112A53-V80 HydrophobicContact CB-CG2 4.18Å; L54-V80 HydrophobicContact CD2-CG2 4.13Å; A57-V80 HydrophobicContact CB-CB 4.39Å; A57-V80 HydrophobicContact CB-CG1 3.9Å; A57-V80 HydrophobicContact CB-CG2 4.15Å; L63-V80 HydrophobicContact CD1-CB 4.45Å; L63-V80 HydrophobicContact CD1-CG1 3.72Å; L63-V80 HydrophobicContact CD1-CG2 3.82Å; T76-V80 WeakPolarHBondContact O-CG2 3.34Å; T76-V80 PolarHBondContact O-N 3.14Å; A77-V80 WeakPolarHBondContact O-CB 3.21Å; A77-V80 PolarHBondContact O-N 3.11Å; V80-H82 PolarHBondContact O-N 3.44Å; V80-I83 WeakPolarHBondContact O-CB 3.35Å; V80-I83 PolarHBondContact O-N 2.88Å; V80-Y84 HydrophobicContact CG1-CD2 3.99Å; V80-Y84 HydrophobicContact CG1-CE1 4.21Å; V80-Y84 HydrophobicContact CG1-CE2 3.41Å; V80-Y84 VanDerWaalsContact CG1-CE2 3.41Å; V80-Y84 PolarHBondContact O-N 2.74Å; V80-V112 HydrophobicContact CB-CB 4.44Å; V80-V112 HydrophobicContact CB-CG1 4.34Å; V80-V112 HydrophobicContact CB-CG2 4.33Å; V80-V112 HydrophobicContact CG1-CB 3.69Å; V80-V112 HydrophobicContact CG1-CG1 3.86Å; V80-V112 HydrophobicContact CG1-CG2 3.96Å
81R98.2Very high96.3Very high102 Ų10256.8 Ų56.839%0.38529%0.293SS..Hα-helixtrans-60.1-33.2176.3-69.4169.3-1681300.3111.9E74 A77 G78 R85 V112E74-R81 IonicContact OE2-CZ 3.69Å; E74-R81 IonicContact OE2-NH1 3.35Å; E74-R81 PolarHBondContact OE2-NH1 3.35Å; E74-R81 IonicContact OE2-NH2 3.88Å; E74-R81 PolarHBondContact OE2-NH2 2.88Å; A77-R81 VanDerWaalsContact O-CG 3.25Å; A77-R81 WeakPolarHBondContact O-CG 3.17Å; A77-R81 PolarHBondContact O-N 3.25Å; G78-R81 PolarHBondContact O-N 3.1Å; R81-R85 WeakPolarHBondContact O-CG 3.42Å; R81-R85 PolarHBondContact O-N 2.71Å; R81-R85 VanDerWaalsContact O-N 3.16Å; R81-V112 HydrophobicContact CG-CG1 3.57Å
82H98Very high95.8Very high96 Ų9652.4 Ų52.444%0.44428%0.28SS..Hα-helixtrans-63.7-49.2171.8-170.5-65.7000111.5G78 M79 V80 Y84 R85 D86G78-H82 PolarHBondContact O-N 3.34Å; M79-H82 WeakPolarHBondContact O-CB 3.43Å; M79-H82 PolarHBondContact O-N 3.04Å; V80-H82 PolarHBondContact O-N 3.44Å; H82-Y84 VanDerWaalsContact C-N 3.3Å; H82-Y84 PolarHBondContact O-N 3.46Å; H82-R85 PolarHBondContact O-N 3.4Å; H82-D86 IonicContact CE1-OD1 3.06Å; H82-D86 PolarHBondContact CE1-OD1 3.47Å; H82-D86 IonicContact CE1-OD2 3.86Å; H82-D86 PolarHBondContact CE1-OD2 3.29Å; H82-D86 IonicContact ND1-OD1 3.82Å; H82-D86 IonicContact ND1-OD2 3.43Å; H82-D86 PolarHBondContact ND1-OD2 3.23Å; H82-D86 VanDerWaalsContact O-CG 3.32Å; H82-D86 PolarHBondContact O-N 3.23Å; H82-D86 VanDerWaalsContact O-N 3.07Å
83I97.7Very high95.4Very high21 Ų2153.8 Ų53.811%0.10829%0.292CS..Hα-helixtrans-58.4-42.4178-67167.3000111.1L54 A57 R58 M79 V80 D86 L87L54-I83 HydrophobicContact CB-CD1 3.98Å; L54-I83 HydrophobicContact CD2-CD1 3.78Å; L54-I83 HydrophobicContact CG-CD1 4.38Å; A57-I83 HydrophobicContact CB-CB 4.31Å; A57-I83 HydrophobicContact CB-CD1 4.18Å; A57-I83 HydrophobicContact CB-CG2 4.02Å; R58-I83 HydrophobicContact CG-CD1 4.31Å; R58-I83 HydrophobicContact CG-CG2 3.95Å; M79-I83 WeakPolarHBondContact O-CG1 3.47Å; M79-I83 PolarHBondContact O-N 3Å; M79-I83 VanDerWaalsContact O-N 3.15Å; V80-I83 WeakPolarHBondContact O-CB 3.35Å; V80-I83 PolarHBondContact O-N 2.88Å; I83-D86 PolarHBondContact O-N 3Å; I83-L87 HydrophobicContact CG2-CD1 4.04Å; I83-L87 HydrophobicContact CG2-CG 4.43Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.96Å
84Y96.7Very high94.8Very high8 Ų855.8 Ų55.83%0.03131%0.309CS..Hα-helixtrans-63.7-42.7177.8-65.8-23.2000113A57 A61 L63 V80 H82 D86 L87 E88 L110 V112A57-Y84 HydrophobicContact CB-CD1 4.4Å; A57-Y84 HydrophobicContact CB-CE1 3.71Å; A61-Y84 PolarHBondContact O-OH 2.84Å; L63-Y84 WeakPolarHBondContact CD1-OH 3.33Å; L63-Y84 WeakPolarHBondContact CG-OH 3.36Å; V80-Y84 HydrophobicContact CG1-CD2 3.99Å; V80-Y84 HydrophobicContact CG1-CE1 4.21Å; V80-Y84 HydrophobicContact CG1-CE2 3.41Å; V80-Y84 VanDerWaalsContact CG1-CE2 3.41Å; V80-Y84 PolarHBondContact O-N 2.74Å; H82-Y84 VanDerWaalsContact C-N 3.3Å; H82-Y84 PolarHBondContact O-N 3.46Å; Y84-D86 VanDerWaalsContact C-N 3.3Å; Y84-D86 PolarHBondContact O-N 3.06Å; Y84-L87 HydrophobicContact CD1-CD1 4.38Å; Y84-L87 PolarHBondContact O-N 2.79Å; Y84-L87 VanDerWaalsContact O-N 3.16Å; Y84-E88 VanDerWaalsContact O-CG 3.31Å; Y84-E88 WeakPolarHBondContact O-CG 3.38Å; Y84-E88 PolarHBondContact O-N 2.89Å; Y84-L110 HydrophobicContact CD1-CB 4Å; Y84-L110 HydrophobicContact CD1-CD1 4.06Å; Y84-L110 HydrophobicContact CD1-CD2 4.25Å; Y84-L110 HydrophobicContact CD1-CG 4.33Å; Y84-L110 HydrophobicContact CD2-CB 3.89Å; Y84-L110 VanDerWaalsContact CD2-O 3.25Å; Y84-L110 WeakPolarHBondContact CD2-O 3.49Å; Y84-L110 HydrophobicContact CE1-CB 4.39Å; Y84-L110 HydrophobicContact CE1-CD2 4.22Å; Y84-L110 HydrophobicContact CE2-CB 4.29Å; Y84-L110 HydrophobicContact CG-CB 3.76Å; Y84-L110 HydrophobicContact CG-CD1 4.28Å; Y84-V112 HydrophobicContact CE2-CB 4.23Å
85R95.6Very high94.1Very high151 Ų15156.8 Ų56.857%0.5732%0.317SS*.Hα-helixtrans-60.6-39.5174.8-73.3-175.9-65.1174.32.2112.4R81 H82 L87 E88 A89R81-R85 WeakPolarHBondContact O-CG 3.42Å; R81-R85 PolarHBondContact O-N 2.71Å; R81-R85 VanDerWaalsContact O-N 3.16Å; H82-R85 PolarHBondContact O-N 3.4Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-E88 PolarHBondContact O-N 3.05Å; R85-A89 WeakPolarHBondContact O-CB 3.49Å; R85-A89 PolarHBondContact O-N 3.02Å
86D95.5Very high93.3Very high89 Ų8960.9 Ų60.948%0.47634%0.336SS..Hα-helixtrans-64.5-40.2176.6-61.7-29.3000111.4H82 I83 Y84 A90H82-D86 IonicContact CE1-OD1 3.06Å; H82-D86 PolarHBondContact CE1-OD1 3.47Å; H82-D86 IonicContact CE1-OD2 3.86Å; H82-D86 PolarHBondContact CE1-OD2 3.29Å; H82-D86 IonicContact ND1-OD1 3.82Å; H82-D86 IonicContact ND1-OD2 3.43Å; H82-D86 PolarHBondContact ND1-OD2 3.23Å; H82-D86 VanDerWaalsContact O-CG 3.32Å; H82-D86 PolarHBondContact O-N 3.23Å; H82-D86 VanDerWaalsContact O-N 3.07Å; I83-D86 PolarHBondContact O-N 3Å; Y84-D86 VanDerWaalsContact C-N 3.3Å; Y84-D86 PolarHBondContact O-N 3.06Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 3.16Å
87L93.3Very high92.6Very high36 Ų3663.9 Ų63.919%0.18836%0.361CS..Hα-helixtrans-67.6-43.5176.5-69.2172.6000112A57 R60 I83 Y84 R85 A90 D91 L110A57-L87 WeakPolarHBondContact O-CD1 3.44Å; R60-L87 HydrophobicContact CG-CD1 4.04Å; I83-L87 HydrophobicContact CG2-CD1 4.04Å; I83-L87 HydrophobicContact CG2-CG 4.43Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.96Å; Y84-L87 HydrophobicContact CD1-CD1 4.38Å; Y84-L87 PolarHBondContact O-N 2.79Å; Y84-L87 VanDerWaalsContact O-N 3.16Å; R85-L87 VanDerWaalsContact C-N 3.34Å; L87-A90 PolarHBondContact O-N 3.3Å; L87-D91 VanDerWaalsContact O-CG 3.28Å; L87-D91 PolarHBondContact O-N 3.38Å; L87-L110 HydrophobicContact CB-CD1 4.37Å
88E92.1Very high91.2Very high98 Ų9867.1 Ų67.146%0.45839%0.393SS..Hα-helixtrans-63.4-40.6176.7-71.6171.2157.600111.8Y84 R85 D91 A92 L110Y84-E88 VanDerWaalsContact O-CG 3.31Å; Y84-E88 WeakPolarHBondContact O-CG 3.38Å; Y84-E88 PolarHBondContact O-N 2.89Å; R85-E88 PolarHBondContact O-N 3.05Å; E88-D91 PolarHBondContact O-N 2.95Å; E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 2.86Å; E88-L110 HydrophobicContact CG-CD1 4.15Å
89A91.9Very high89.2Confident61 Ų6172.1 Ų72.150%0.50441%0.412SS..Hα-helixtrans-65.1-39.9175.300000111.9R85 A92 A93R85-A89 WeakPolarHBondContact O-CB 3.49Å; R85-A89 PolarHBondContact O-N 3.02Å; A89-A92 PolarHBondContact O-N 3.44Å; A89-A93 WeakPolarHBondContact O-CB 3.33Å; A89-A93 PolarHBondContact O-N 3.23Å
90A90.2Very high87Confident55 Ų5569.5 Ų69.546%0.45541%0.405SS..Hα-helixtrans-64.3-40.817500000112D86 L87 A93 A94D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 3.16Å; L87-A90 PolarHBondContact O-N 3.3Å; A90-A93 PolarHBondContact O-N 3.07Å; A90-A94 WeakPolarHBondContact O-CB 3.31Å; A90-A94 PolarHBondContact O-N 3.42Å
91D88.5Confident84.6Confident46 Ų4679.1 Ų79.125%0.24645%0.45CS..Hα-helixtrans-63.9-46.2175.9-69.3-19.1000111.7R60 L87 E88 A93 A94 L95R60-D91 IonicContact CZ-OD1 3.94Å; R60-D91 IonicContact CZ-OD2 2.68Å; R60-D91 VanDerWaalsContact CZ-OD2 3.27Å; R60-D91 IonicContact NH1-OD1 2.99Å; R60-D91 IonicContact NH1-OD2 3.59Å; R60-D91 PolarHBondContact NH1-OD2 3.41Å; R60-D91 IonicContact NH2-OD1 3.27Å; R60-D91 PolarHBondContact NH2-OD1 3.05Å; R60-D91 IonicContact NH2-OD2 2.68Å; R60-D91 PolarHBondContact NH2-OD2 3.12Å; L87-D91 VanDerWaalsContact O-CG 3.28Å; L87-D91 PolarHBondContact O-N 3.38Å; E88-D91 PolarHBondContact O-N 2.95Å; D91-A93 VanDerWaalsContact C-N 3.3Å; D91-A93 PolarHBondContact O-N 3.47Å; D91-A94 PolarHBondContact O-N 3.28Å; D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 2.95Å
92A87.7Confident82.2Confident45 Ų4583.7 Ų83.737%0.37248%0.476SS..Hα-helixtrans-60.6-40.1177.500000111.9E88 A89 Q96E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 2.86Å; A89-A92 PolarHBondContact O-N 3.44Å; A92-Q96 VanDerWaalsContact O-CG 3.3Å; A92-Q96 WeakPolarHBondContact O-CG 3.33Å; A92-Q96 PolarHBondContact O-N 3.44Å; A92-Q96 VanDerWaalsContact O-N 3.07Å
93A88.9Confident79.8Confident55 Ų5588 Ų8846%0.45550%0.496SS..Hα-helixtrans-67.6-41.1176.100000112.5A89 A90 D91 Q96 A97A89-A93 WeakPolarHBondContact O-CB 3.33Å; A89-A93 PolarHBondContact O-N 3.23Å; A90-A93 PolarHBondContact O-N 3.07Å; D91-A93 VanDerWaalsContact C-N 3.3Å; D91-A93 PolarHBondContact O-N 3.47Å; A93-Q96 PolarHBondContact O-N 2.98Å; A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 3.15Å
94A86.8Confident77.5Confident44 Ų4490.4 Ų90.436%0.36451%0.508SS..Hα-helixtrans-64.4-41.8176.700000112.1A90 D91 A97A90-A94 WeakPolarHBondContact O-CB 3.31Å; A90-A94 PolarHBondContact O-N 3.42Å; D91-A94 PolarHBondContact O-N 3.28Å; A94-A97 PolarHBondContact O-N 2.93Å
95L82.3Confident75.4Confident92 Ų9294 Ų9448%0.48253%0.528SS..Hα-helixtrans-58.7-45.3172.9-93.5149.4000112.1D91 A97 G98 I104D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 2.95Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.25Å; L95-G98 PolarHBondContact O-N 3.45Å; L95-I104 HydrophobicContact CD1-CD1 4.26Å; L95-I104 HydrophobicContact CD2-CD1 3.62Å; L95-I104 HydrophobicContact CG-CD1 3.72Å
96Q83Confident73.3Confident171 Ų17191.9 Ų91.980%0.79953%0.533SS*.Hα-helixtrans-67.4-30.4178.1-73.6175800113.1A92 A93 G98A92-Q96 VanDerWaalsContact O-CG 3.3Å; A92-Q96 WeakPolarHBondContact O-CG 3.33Å; A92-Q96 PolarHBondContact O-N 3.44Å; A92-Q96 VanDerWaalsContact O-N 3.07Å; A93-Q96 PolarHBondContact O-N 2.98Å; Q96-G98 PolarHBondContact O-N 3.42Å
97A83.3Confident71.3Confident63 Ų6395.5 Ų95.552%0.52155%0.547SS..THydrogen-bonded Turntrans-77-2.1-179.400000114.3A93 A94 L95 N99A93-A97 WeakPolarHBondContact O-CB 3.38Å; A93-A97 PolarHBondContact O-N 3.15Å; A94-A97 PolarHBondContact O-N 2.93Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.25Å; A97-N99 PolarHBondContact O-N 3.18Å
98G70Confident69.8Low67 Ų6794.9 Ų94.969%0.69155%0.546SS*.THydrogen-bonded Turntrans70.95.6179.100000115.1L95 Q96L95-G98 PolarHBondContact O-N 3.45Å; Q96-G98 PolarHBondContact O-N 3.42Å
99N56.9Low69.1Low138 Ų13894.8 Ų94.874%0.73855%0.548SS*.  trans-10370.3178.7-68.9-18.7000109.7A97A97-N99 PolarHBondContact O-N 3.18Å
100G51.1Low69Low21 Ų2192.9 Ų92.922%0.21653%0.53CS..  trans-167.4-1.2-173.700000123E102 I104G100-E102 PolarHBondContact O-N 2.73Å; G100-E102 VanDerWaalsContact O-N 3.14Å; G100-I104 WeakPolarHBondContact O-CD1 3.49Å; G100-I104 WeakPolarHBondContact O-CG1 3.37Å
101E49.3Very low69.3Low202 Ų20294 Ų9494%0.94453%0.525SS*.THydrogen-bonded Turntrans-62.4-25.4-178.7-73.7-171.116900113.8
102E47.5Very low69.7Low199 Ų19992.6 Ų92.693%0.9352%0.518SS*.THydrogen-bonded Turntrans-97.4-7.8-173.4-74.5-173.8155.500116.2G100G100-E102 PolarHBondContact O-N 2.73Å; G100-E102 VanDerWaalsContact O-N 3.14Å
103E46.7Very low70.2Confident186 Ų18692.6 Ų92.687%0.86951%0.51SS*.THydrogen-bonded Turntrans-138.518.7-177.9-125.7-179.2-167.200115.2L105E103-L105 PolarHBondContact O-N 2.97Å
104I49.5Very low70.7Confident72 Ų7291.7 Ų91.737%0.36950%0.499SS..  trans-73.3100.8166.4-64.6158.1000107.3L95 G100L95-I104 HydrophobicContact CD1-CD1 4.26Å; L95-I104 HydrophobicContact CD2-CD1 3.62Å; L95-I104 HydrophobicContact CG-CD1 3.72Å; G100-I104 WeakPolarHBondContact O-CD1 3.49Å; G100-I104 WeakPolarHBondContact O-CG1 3.37Å
105L53.3Low71.3Confident83 Ų8390 Ų9044%0.43548%0.483SS..  trans-47.4130.9165-75.6164.7000107.8A35 E103 H107A35-L105 HydrophobicContact CB-CD1 4.38Å; E103-L105 PolarHBondContact O-N 2.97Å; L105-H107 PolarHBondContact O-N 2.78Å
106P50.7Low72Confident106 Ų10688.9 Ų88.969%0.68848%0.48SS*.  trans-49.7132.5-177.520.9-32.3000108C108P106-C108 VanDerWaalsContact C-N 3.28Å; P106-C108 WeakPolarHBondContact O-CA 3.48Å; P106-C108 PolarHBondContact O-N 3.27Å; P106-C108 PolarHBondContact O-SG 3.12Å
107H54.3Low72.8Confident165 Ų16580.9 Ų80.976%0.76444%0.443SS*.  trans-39.794.5-175.4-75.7-27.2000110.4L105 N109L105-H107 PolarHBondContact O-N 2.78Å; H107-N109 PolarHBondContact O-N 2.91Å
108C62.4Low73.5Confident24 Ų2479.5 Ų79.516%0.16243%0.427CS..  trans-73.7131.7-176.6-72.60000104.7P106 L110P106-C108 VanDerWaalsContact C-N 3.28Å; P106-C108 WeakPolarHBondContact O-CA 3.48Å; P106-C108 PolarHBondContact O-N 3.27Å; P106-C108 PolarHBondContact O-SG 3.12Å; C108-L110 VanDerWaalsContact C-N 3.26Å; C108-L110 HydrophobicContact CB-CD2 3.99Å; C108-L110 WeakPolarHBondContact O-CG 3.36Å; C108-L110 PolarHBondContact O-N 3.02Å
109N76.2Confident74.9Confident96 Ų9676.8 Ų76.851%0.51340%0.397SS..  trans-68.588.1175.8-169.922.5000109.2H107 Q111H107-N109 PolarHBondContact O-N 2.91Å; N109-Q111 VanDerWaalsContact C-N 3.27Å; N109-Q111 PolarHBondContact ND2-NE2 2.66Å; N109-Q111 PolarHBondContact O-N 3.37Å; N109-Q111 VanDerWaalsContact OD1-CG 3.31Å; N109-Q111 WeakPolarHBondContact OD1-CG 3.38Å; N109-Q111 PolarHBondContact OD1-NE2 3.43Å
110L90.4Very high76.8Confident21 Ų2171 Ų7111%0.1137%0.371CS..  trans-7676.5-175-63.8-172.8000110.4R60 Y84 L87 E88 C108R60-L110 HydrophobicContact CB-CD2 3.74Å; R60-L110 HydrophobicContact CG-CD2 4.12Å; Y84-L110 HydrophobicContact CD1-CB 4Å; Y84-L110 HydrophobicContact CD1-CD1 4.06Å; Y84-L110 HydrophobicContact CD1-CD2 4.25Å; Y84-L110 HydrophobicContact CD1-CG 4.33Å; Y84-L110 HydrophobicContact CD2-CB 3.89Å; Y84-L110 VanDerWaalsContact CD2-O 3.25Å; Y84-L110 WeakPolarHBondContact CD2-O 3.49Å; Y84-L110 HydrophobicContact CE1-CB 4.39Å; Y84-L110 HydrophobicContact CE1-CD2 4.22Å; Y84-L110 HydrophobicContact CE2-CB 4.29Å; Y84-L110 HydrophobicContact CG-CB 3.76Å; Y84-L110 HydrophobicContact CG-CD1 4.28Å; L87-L110 HydrophobicContact CB-CD1 4.37Å; E88-L110 HydrophobicContact CG-CD1 4.15Å; C108-L110 VanDerWaalsContact C-N 3.26Å; C108-L110 HydrophobicContact CB-CD2 3.99Å; C108-L110 WeakPolarHBondContact O-CG 3.36Å; C108-L110 PolarHBondContact O-N 3.02Å
111Q95.8Very high79.1Confident77 Ų7775.9 Ų75.936%0.3639%0.385SS..  trans-113.4153179.9-62.4-168.329.900111.9L62 L63 N109 F113L62-Q111 HydrophobicContact CD1-CB 4.32Å; L62-Q111 HydrophobicContact CG-CB 4.32Å; L63-Q111 PolarHBondContact N-O 3.11Å; N109-Q111 VanDerWaalsContact C-N 3.27Å; N109-Q111 PolarHBondContact ND2-NE2 2.66Å; N109-Q111 PolarHBondContact O-N 3.37Å; N109-Q111 VanDerWaalsContact OD1-CG 3.31Å; N109-Q111 WeakPolarHBondContact OD1-CG 3.38Å; N109-Q111 PolarHBondContact OD1-NE2 3.43Å; Q111-F113 HydrophobicContact CB-CD2 4.34Å; Q111-F113 HydrophobicContact CB-CE2 3.65Å; Q111-F113 HydrophobicContact CB-CZ 4.26Å
112V98.4Very high81.4Confident17 Ų1772.1 Ų72.110%0.10336%0.363CS..EExtended strand (participates in β ladder)trans-131.5123.3171.259.10000109.5L63 L65 A77 V80 R81 Y84L63-V112 HydrophobicContact CB-CB 4.22Å; L63-V112 HydrophobicContact CB-CG2 3.91Å; L63-V112 CarbonylContact O-C 3.39Å; L63-V112 WeakPolarHBondContact O-CA 3.22Å; L65-V112 HydrophobicContact CD1-CG2 3.63Å; L65-V112 HydrophobicContact CG-CG2 3.82Å; A77-V112 HydrophobicContact CB-CG1 4.29Å; A77-V112 HydrophobicContact CB-CG2 4.08Å; V80-V112 HydrophobicContact CB-CB 4.44Å; V80-V112 HydrophobicContact CB-CG1 4.34Å; V80-V112 HydrophobicContact CB-CG2 4.33Å; V80-V112 HydrophobicContact CG1-CB 3.69Å; V80-V112 HydrophobicContact CG1-CG1 3.86Å; V80-V112 HydrophobicContact CG1-CG2 3.96Å; R81-V112 HydrophobicContact CG-CG1 3.57Å; Y84-V112 HydrophobicContact CE2-CB 4.23Å
113F98.4Very high83.8Confident46 Ų4667.5 Ų67.520%0.20234%0.341CS..EExtended strand (participates in β ladder)trans-109.8141.9177.3-61.7-96.7000109.4L62 L63 V64 L65 Q111 Y115 V136L62-F113 HydrophobicContact CD1-CE2 4.42Å; L62-F113 HydrophobicContact CD2-CD2 4.02Å; L62-F113 HydrophobicContact CD2-CE2 4.04Å; L62-F113 HydrophobicContact CG-CE2 4.49Å; L63-F113 PolarHBondContact O-N 2.91Å; V64-F113 WeakPolarHBondContact CA-O 3.33Å; L65-F113 PolarHBondContact N-O 2.9Å; Q111-F113 HydrophobicContact CB-CD2 4.34Å; Q111-F113 HydrophobicContact CB-CE2 3.65Å; Q111-F113 HydrophobicContact CB-CZ 4.26Å; F113-Y115 HydrophobicContact CB-CE2 3.71Å; F113-V136 HydrophobicContact CB-CG2 4.06Å; F113-V136 HydrophobicContact CD1-CG2 3.8Å; F113-V136 HydrophobicContact CD2-CB 4.47Å; F113-V136 HydrophobicContact CD2-CG1 4.07Å; F113-V136 HydrophobicContact CD2-CG2 3.58Å; F113-V136 HydrophobicContact CE1-CG2 4.08Å; F113-V136 HydrophobicContact CE2-CB 4.48Å; F113-V136 HydrophobicContact CE2-CG1 4.03Å; F113-V136 HydrophobicContact CE2-CG2 3.88Å; F113-V136 HydrophobicContact CG-CG2 3.54Å; F113-V136 HydrophobicContact CZ-CG2 4.11Å
114T98.7Very high86.3Confident36 Ų3661 Ų6122%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-120.3137.5-178.345.60000109.8L65 E74 A77L65-T114 HydrophobicContact CB-CG2 4.38Å; L65-T114 WeakPolarHBondContact O-CA 3.17Å; E74-T114 WeakPolarHBondContact OE1-CB 3.3Å; E74-T114 WeakPolarHBondContact OE1-CG2 3.44Å; E74-T114 PolarHBondContact OE1-OG1 3.46Å; A77-T114 HydrophobicContact CB-CG2 3.42Å; A77-T114 VanDerWaalsContact CB-CG2 3.42Å
115Y98.6Very high88.6Confident7 Ų757.6 Ų57.63%0.02730%0.295CS..EExtended strand (participates in β ladder)trans-135.3133.2175.4-60.8-92.2000110.1V64 L65 W66 D67 N73 F113 C117 T128 R131 V132 E135V64-Y115 HydrophobicContact CG1-CD2 3.79Å; V64-Y115 HydrophobicContact CG1-CE2 3.79Å; L65-Y115 PolarHBondContact O-N 2.86Å; W66-Y115 AromaticContact CD1-CD2 3.89Å; W66-Y115 AromaticContact NE1-CD2 3.66Å; W66-Y115 AromaticContact NE1-CG 3.88Å; D67-Y115 PolarHBondContact N-O 2.83Å; N73-Y115 PolarHBondContact ND2-O 3.02Å; F113-Y115 HydrophobicContact CB-CE2 3.71Å; Y115-C117 PolarHBondContact O-N 3.41Å; Y115-T128 HydrophobicContact CD1-CG2 3.98Å; Y115-T128 HydrophobicContact CG-CG2 3.86Å; Y115-R131 HydrophobicContact CE1-CB 4.14Å; Y115-V132 HydrophobicContact CD2-CG2 3.83Å; Y115-V132 HydrophobicContact CE1-CG2 4.3Å; Y115-V132 HydrophobicContact CE2-CG2 3.57Å; Y115-V132 HydrophobicContact CG-CG2 4.3Å; Y115-E135 VanDerWaalsContact CE1-OE2 3.23Å; Y115-E135 WeakPolarHBondContact CE1-OE2 3.49Å; Y115-E135 VanDerWaalsContact CZ-OE2 3.3Å; Y115-E135 PolarHBondContact OH-OE2 3.45Å
116T98.5Very high90.8Very high69 Ų6956.9 Ų56.942%0.42329%0.287SS..EExtended strand (participates in β ladder)trans-76.6109.7167.7-50.70000108.5D67 T70D67-T116 CarbonylContact O-C 3.58Å; D67-T116 VanDerWaalsContact O-CA 3.26Å; D67-T116 WeakPolarHBondContact O-CA 3.48Å; T70-T116 WeakPolarHBondContact OG1-CG2 3.46Å; T70-T116 PolarHBondContact OG1-OG1 3.35Å
117C98.6Very high93.1Very high3 Ų357.5 Ų57.52%0.0228%0.284CS..  trans-137.1120.3-178-168.60000110.9W66 D67 I68 Y115 V119 T128W66-C117 HydrophobicContact CB-CB 4.19Å; W66-C117 HydrophobicContact CD2-CB 3.9Å; W66-C117 HydrophobicContact CE3-CB 3.8Å; W66-C117 HydrophobicContact CG-CB 4.1Å; W66-C117 HydrophobicContact CZ3-CB 4.47Å; D67-C117 CarbonylContact C-O 3.36Å; D67-C117 PolarHBondContact O-N 3.22Å; I68-C117 PolarHBondContact N-O 3.5Å; Y115-C117 PolarHBondContact O-N 3.41Å; C117-V119 PolarHBondContact O-N 3.36Å; C117-T128 HydrophobicContact CB-CG2 4.1Å; C117-T128 PolarHBondContact SG-OG1 2.97Å
118D98.4Very high95.2Very high34 Ų3449.9 Ų49.918%0.18225%0.249CC..  trans-86.798.4166.8-177.8-2.1000108.5I68 G120 K121 N124I68-D118 HydrophobicContact CD1-CB 3.89Å; I68-D118 HydrophobicContact CG1-CB 4.17Å; D118-G120 PolarHBondContact O-N 2.97Å; D118-G120 WeakPolarHBondContact OD1-CA 3.31Å; D118-G120 PolarHBondContact OD1-N 3.49Å; D118-K121 HydrophobicContact CB-CD 4.37Å; D118-K121 PolarHBondContact O-N 3.43Å; D118-K121 WeakPolarHBondContact OD2-CD 3.17Å; D118-K121 WeakPolarHBondContact OD2-CE 3.17Å; D118-K121 IonicContact OD2-NZ 3.74Å; D118-N124 PolarHBondContact N-ND2 2.8Å
119V98.5Very high96.9Very high11 Ų1148.8 Ų48.87%0.06724%0.241CC..THydrogen-bonded Turntrans-66.9-13.2179.7-61.40000113.5T42 W66 C117 K121 V125 A146 V168 A172 W175T42-V119 HydrophobicContact CG2-CG1 4.24Å; W66-V119 HydrophobicContact CE3-CG1 4.33Å; C117-V119 PolarHBondContact O-N 3.36Å; V119-K121 PolarHBondContact O-N 3.23Å; V119-V125 HydrophobicContact CB-CG2 4.28Å; V119-V125 HydrophobicContact CG1-CG2 4.46Å; V119-A146 HydrophobicContact CG2-CB 3.7Å; V119-V168 HydrophobicContact CG2-CG1 4Å; V119-A172 HydrophobicContact CB-CB 3.89Å; V119-A172 HydrophobicContact CG2-CB 4.04Å; V119-A172 WeakPolarHBondContact O-CB 3.49Å; V119-W175 WeakPolarHBondContact O-CZ3 3.37Å
120G97.9Very high98Very high17 Ų1749 Ų4918%0.17524%0.24CC..THydrogen-bonded Turntrans-74.1-6.9171.400000113.3D118 W175D118-G120 PolarHBondContact O-N 2.97Å; D118-G120 WeakPolarHBondContact OD1-CA 3.31Å; D118-G120 PolarHBondContact OD1-N 3.49Å; G120-W175 WeakPolarHBondContact O-CZ3 3.33Å
121K98.4Very high98.3Very high122 Ų12254.1 Ų54.153%0.5326%0.257SS..  trans-117.5111.1177.6-64.6178.2-176.11740110.6D118 V119 E123 N124 V125D118-K121 HydrophobicContact CB-CD 4.37Å; D118-K121 PolarHBondContact O-N 3.43Å; D118-K121 WeakPolarHBondContact OD2-CD 3.17Å; D118-K121 WeakPolarHBondContact OD2-CE 3.17Å; D118-K121 IonicContact OD2-NZ 3.74Å; V119-K121 PolarHBondContact O-N 3.23Å; K121-E123 VanDerWaalsContact C-N 3.31Å; K121-E123 PolarHBondContact O-N 3.26Å; K121-N124 HydrophobicContact CB-CB 3.92Å; K121-N124 WeakPolarHBondContact O-CB 3.24Å; K121-N124 PolarHBondContact O-N 3.45Å; K121-V125 PolarHBondContact O-N 3.43Å; K121-V125 VanDerWaalsContact O-N 3.07Å
122R98.3Very high98.5Very high124 Ų12450.4 Ų50.447%0.46824%0.24SC..Hα-helixtrans-53.1-45.6-178.3-178.2-177.464.8-176.8-3.9113.2N124 V125 Y126 W175R122-N124 VanDerWaalsContact C-N 3.28Å; R122-N124 PolarHBondContact O-N 2.96Å; R122-V125 WeakPolarHBondContact O-CB 3.16Å; R122-V125 PolarHBondContact O-N 3.13Å; R122-Y126 HydrophobicContact CG-CD2 3.78Å; R122-Y126 HydrophobicContact CG-CE2 3.32Å; R122-Y126 WeakPolarHBondContact O-CD2 3.39Å; R122-Y126 PolarHBondContact O-N 3.18Å; R122-Y126 VanDerWaalsContact O-N 3.12Å; R122-W175 HydrophobicContact CB-CD2 3.7Å; R122-W175 HydrophobicContact CB-CE3 3.96Å; R122-W175 HydrophobicContact CB-CG 4.22Å; R122-W175 HydrophobicContact CB-CH2 4.1Å; R122-W175 HydrophobicContact CB-CZ2 3.84Å; R122-W175 HydrophobicContact CB-CZ3 4.17Å; R122-W175 HydrophobicContact CG-CD2 3.91Å; R122-W175 HydrophobicContact CG-CG 3.9Å; R122-W175 HydrophobicContact CG-CZ2 4.49Å
123E98.4Very high98.4Very high102 Ų10253.1 Ų53.148%0.47725%0.249SC..Hα-helixtrans-63.5-38.6-178.8-63.967-144.100110.5K121 Y126 L127K121-E123 VanDerWaalsContact C-N 3.31Å; K121-E123 PolarHBondContact O-N 3.26Å; E123-Y126 PolarHBondContact O-N 2.81Å; E123-L127 WeakPolarHBondContact O-CB 3.41Å; E123-L127 WeakPolarHBondContact O-CG 3.14Å; E123-L127 PolarHBondContact O-N 2.82Å
124N98.4Very high98.4Very high50 Ų5060 Ų6027%0.26728%0.278SS..Hα-helixtrans-67.1-40177.3-161.53.6000111.7D118 K121 R122 T128D118-N124 PolarHBondContact N-ND2 2.8Å; K121-N124 HydrophobicContact CB-CB 3.92Å; K121-N124 WeakPolarHBondContact O-CB 3.24Å; K121-N124 PolarHBondContact O-N 3.45Å; R122-N124 VanDerWaalsContact C-N 3.28Å; R122-N124 PolarHBondContact O-N 2.96Å; N124-T128 VanDerWaalsContact O-CB 3.29Å; N124-T128 WeakPolarHBondContact O-CB 3.21Å; N124-T128 PolarHBondContact O-N 2.92Å; N124-T128 PolarHBondContact O-OG1 3.02Å; N124-T128 PolarHBondContact OD1-OG1 3.03Å
125V98.8Very high98.3Very high0 Ų062.8 Ų62.80%029%0.289CS..Hα-helixtrans-58.3-51.3174.7170.60000111W66 V119 K121 R122 T128 A129 W175 T176W66-V125 WeakPolarHBondContact CH2-O 3.22Å; W66-V125 HydrophobicContact CZ3-CG1 4.18Å; V119-V125 HydrophobicContact CB-CG2 4.28Å; V119-V125 HydrophobicContact CG1-CG2 4.46Å; K121-V125 PolarHBondContact O-N 3.43Å; K121-V125 VanDerWaalsContact O-N 3.07Å; R122-V125 WeakPolarHBondContact O-CB 3.16Å; R122-V125 PolarHBondContact O-N 3.13Å; V125-T128 PolarHBondContact O-N 2.78Å; V125-A129 WeakPolarHBondContact O-CB 3.3Å; V125-A129 PolarHBondContact O-N 3.44Å; V125-W175 HydrophobicContact CB-CB 4.25Å; V125-W175 HydrophobicContact CG1-CB 3.85Å; V125-W175 HydrophobicContact CG2-CB 4.47Å; V125-W175 HydrophobicContact CG2-CE3 4.3Å; V125-T176 HydrophobicContact CG1-CG2 3.9Å
126Y98.7Very high98.3Very high67 Ų6763.8 Ų63.826%0.26330%0.296SS..Hα-helixtrans-67.3-43.4-179-67-57.8000112.5R122 E123 T128 A129 E130 K178 A179R122-Y126 HydrophobicContact CG-CD2 3.78Å; R122-Y126 HydrophobicContact CG-CE2 3.32Å; R122-Y126 WeakPolarHBondContact O-CD2 3.39Å; R122-Y126 PolarHBondContact O-N 3.18Å; R122-Y126 VanDerWaalsContact O-N 3.12Å; E123-Y126 PolarHBondContact O-N 2.81Å; Y126-T128 VanDerWaalsContact C-N 3.3Å; Y126-T128 PolarHBondContact O-N 2.86Å; Y126-A129 PolarHBondContact O-N 2.91Å; Y126-E130 WeakPolarHBondContact O-CG 3.36Å; Y126-E130 PolarHBondContact O-N 3.03Å; Y126-K178 HydrophobicContact CE1-CG 4.43Å; Y126-K178 WeakPolarHBondContact OH-CD 3.39Å; Y126-A179 HydrophobicContact CD1-CB 3.96Å; Y126-A179 HydrophobicContact CE1-CB 4.07Å
127L98.6Very high98.1Very high120 Ų12061.6 Ų61.663%0.62829%0.287SS*.Hα-helixtrans-60-41.6176.6-73171.1000111.9E123 R131E123-L127 WeakPolarHBondContact O-CB 3.41Å; E123-L127 WeakPolarHBondContact O-CG 3.14Å; E123-L127 PolarHBondContact O-N 2.82Å; L127-R131 WeakPolarHBondContact O-CG 3.39Å; L127-R131 PolarHBondContact O-N 3.26Å
128T98.7Very high98Very high4 Ų465.1 Ų65.13%0.02530%0.303CS..Hα-helixtrans-70.8-37.7178.3-49.70000111.3W66 Y115 C117 N124 V125 Y126 E130 R131 V132W66-T128 HydrophobicContact CD2-CG2 4.1Å; W66-T128 HydrophobicContact CH2-CG2 4.02Å; W66-T128 HydrophobicContact CZ2-CG2 3.37Å; Y115-T128 HydrophobicContact CD1-CG2 3.98Å; Y115-T128 HydrophobicContact CG-CG2 3.86Å; C117-T128 HydrophobicContact CB-CG2 4.1Å; C117-T128 PolarHBondContact SG-OG1 2.97Å; N124-T128 VanDerWaalsContact O-CB 3.29Å; N124-T128 WeakPolarHBondContact O-CB 3.21Å; N124-T128 PolarHBondContact O-N 2.92Å; N124-T128 PolarHBondContact O-OG1 3.02Å; N124-T128 PolarHBondContact OD1-OG1 3.03Å; V125-T128 PolarHBondContact O-N 2.78Å; Y126-T128 VanDerWaalsContact C-N 3.3Å; Y126-T128 PolarHBondContact O-N 2.86Å; T128-E130 PolarHBondContact O-N 3.05Å; T128-R131 WeakPolarHBondContact O-CB 3.38Å; T128-R131 PolarHBondContact O-N 3.43Å; T128-V132 WeakPolarHBondContact O-CG2 3.42Å; T128-V132 PolarHBondContact O-N 2.8Å
129A98.6Very high98Very high1 Ų163.8 Ų63.81%0.00830%0.296CS..Hα-helixtrans-61.6-42.6176.300000112.6W66 V125 Y126 R131 V132 R133 A179 F180W66-A129 HydrophobicContact CH2-CB 4.07Å; W66-A129 HydrophobicContact CZ2-CB 4.46Å; V125-A129 WeakPolarHBondContact O-CB 3.3Å; V125-A129 PolarHBondContact O-N 3.44Å; Y126-A129 PolarHBondContact O-N 2.91Å; A129-R131 VanDerWaalsContact C-N 3.31Å; A129-R131 PolarHBondContact O-N 2.82Å; A129-V132 PolarHBondContact O-N 3.24Å; A129-R133 PolarHBondContact O-N 2.79Å; A129-A179 HydrophobicContact CB-CB 3.68Å; A129-F180 HydrophobicContact CB-CE1 3.86Å; A129-F180 HydrophobicContact CB-CE2 4.23Å; A129-F180 HydrophobicContact CB-CZ 3.56Å
130E98.4Very high98Very high102 Ų10264 Ų6448%0.47730%0.298SS..Hα-helixtrans-61.9-39.5175.5-69.1-54.7129.700112.1Y126 T128 R133 K134Y126-E130 WeakPolarHBondContact O-CG 3.36Å; Y126-E130 PolarHBondContact O-N 3.03Å; T128-E130 PolarHBondContact O-N 3.05Å; E130-R133 PolarHBondContact O-N 2.93Å; E130-R133 IonicContact OE1-CZ 3.44Å; E130-R133 IonicContact OE1-NH1 3.11Å; E130-R133 PolarHBondContact OE1-NH1 3.19Å; E130-R133 IonicContact OE1-NH2 3.46Å; E130-R133 PolarHBondContact OE1-NH2 3.36Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 IonicContact OE2-NH1 3.85Å; E130-R133 PolarHBondContact OE2-NH1 2.94Å; E130-K134 PolarHBondContact O-N 2.93Å
131R98.4Very high98Very high127 Ų12763.3 Ų63.348%0.47929%0.29SS..Hα-helixtrans-63.7-45.7174.8-70.517861.8-163.6-4112Y115 L127 T128 A129 R133 K134 E135Y115-R131 HydrophobicContact CE1-CB 4.14Å; L127-R131 WeakPolarHBondContact O-CG 3.39Å; L127-R131 PolarHBondContact O-N 3.26Å; T128-R131 WeakPolarHBondContact O-CB 3.38Å; T128-R131 PolarHBondContact O-N 3.43Å; A129-R131 VanDerWaalsContact C-N 3.31Å; A129-R131 PolarHBondContact O-N 2.82Å; R131-R133 VanDerWaalsContact C-N 3.31Å; R131-R133 PolarHBondContact O-N 2.78Å; R131-K134 PolarHBondContact O-N 3.13Å; R131-E135 IonicContact NE-OE1 3.26Å; R131-E135 IonicContact NH2-OE1 3.81Å; R131-E135 WeakPolarHBondContact O-CB 3.41Å; R131-E135 WeakPolarHBondContact O-CG 3.49Å; R131-E135 PolarHBondContact O-N 2.89Å
132V98.4Very high98Very high0 Ų057.5 Ų57.50%027%0.265CS..Hα-helixtrans-57.5-46.2175.3171.80000110.6L40 V64 W66 Y115 T128 A129 K134 E135 V136 G137 V139 F180L40-V132 HydrophobicContact CD1-CG1 4.45Å; V64-V132 HydrophobicContact CG1-CG1 4.04Å; V64-V132 HydrophobicContact CG1-CG2 3.69Å; V64-V132 HydrophobicContact CG2-CG1 4.16Å; W66-V132 HydrophobicContact CZ2-CG2 3.85Å; Y115-V132 HydrophobicContact CD2-CG2 3.83Å; Y115-V132 HydrophobicContact CE1-CG2 4.3Å; Y115-V132 HydrophobicContact CE2-CG2 3.57Å; Y115-V132 HydrophobicContact CG-CG2 4.3Å; T128-V132 WeakPolarHBondContact O-CG2 3.42Å; T128-V132 PolarHBondContact O-N 2.8Å; A129-V132 PolarHBondContact O-N 3.24Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 3.33Å; V132-E135 PolarHBondContact O-N 2.97Å; V132-V136 HydrophobicContact CG1-CB 4.34Å; V132-V136 HydrophobicContact CG1-CG2 4.49Å; V132-V136 WeakPolarHBondContact O-CA 3.45Å; V132-V136 WeakPolarHBondContact O-CB 3.42Å; V132-V136 PolarHBondContact O-N 2.88Å; V132-G137 PolarHBondContact O-N 3.42Å; V132-G137 VanDerWaalsContact O-N 3.14Å; V132-V139 HydrophobicContact CG1-CG2 3.93Å; V132-F180 HydrophobicContact CG1-CE1 4.46Å
133R97.4Very high98.1Very high74 Ų7451.6 Ų51.628%0.27924%0.243SC..Hα-helixtrans-60.5-40.9179.6-163.5-176.7-59.9124.17.8112.1A129 E130 R131 G137 E138 A179A129-R133 PolarHBondContact O-N 2.79Å; E130-R133 PolarHBondContact O-N 2.93Å; E130-R133 IonicContact OE1-CZ 3.44Å; E130-R133 IonicContact OE1-NH1 3.11Å; E130-R133 PolarHBondContact OE1-NH1 3.19Å; E130-R133 IonicContact OE1-NH2 3.46Å; E130-R133 PolarHBondContact OE1-NH2 3.36Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 IonicContact OE2-NH1 3.85Å; E130-R133 PolarHBondContact OE2-NH1 2.94Å; R131-R133 VanDerWaalsContact C-N 3.31Å; R131-R133 PolarHBondContact O-N 2.78Å; R133-G137 VanDerWaalsContact O-CA 3.32Å; R133-G137 WeakPolarHBondContact O-CA 3.45Å; R133-G137 PolarHBondContact O-N 2.95Å; R133-E138 WeakPolarHBondContact CD-OE1 3.24Å; R133-E138 WeakPolarHBondContact CG-OE1 3.26Å; R133-E138 IonicContact NE-OE1 2.71Å; R133-E138 IonicContact NE-OE2 3.64Å; R133-A179 PolarHBondContact NH2-O 2.83Å
134K97.7Very high98.1Very high189 Ų18946.8 Ų46.882%0.82222%0.22SC*.Hα-helixtrans-72.2-40.6179.7-175.4178.9177.5-177.70113.4E130 R131 V132E130-K134 PolarHBondContact O-N 2.93Å; R131-K134 PolarHBondContact O-N 3.13Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 3.33Å
135E97.6Very high98.1Very high95 Ų9545.3 Ų45.344%0.44421%0.212SC..Hα-helixtrans-91.7-30.9-170.9-66.9169.6-164.500112.9Y115 R131 V132Y115-E135 VanDerWaalsContact CE1-OE2 3.23Å; Y115-E135 WeakPolarHBondContact CE1-OE2 3.49Å; Y115-E135 VanDerWaalsContact CZ-OE2 3.3Å; Y115-E135 PolarHBondContact OH-OE2 3.45Å; R131-E135 IonicContact NE-OE1 3.26Å; R131-E135 IonicContact NH2-OE1 3.81Å; R131-E135 WeakPolarHBondContact O-CB 3.41Å; R131-E135 WeakPolarHBondContact O-CG 3.49Å; R131-E135 PolarHBondContact O-N 2.89Å; V132-E135 PolarHBondContact O-N 2.97Å
136V96.9Very high98Very high29 Ų2945.8 Ų45.818%0.17622%0.216CC..THydrogen-bonded Turntrans-117.8-39.6-172.9-171.80000111.9V38 L62 V64 F113 V132V38-V136 HydrophobicContact CG1-CG1 3.9Å; V38-V136 HydrophobicContact CG2-CG1 4.44Å; L62-V136 HydrophobicContact CD1-CG1 4.47Å; L62-V136 HydrophobicContact CD2-CG1 3.34Å; V64-V136 HydrophobicContact CG2-CB 4.36Å; V64-V136 HydrophobicContact CG2-CG1 3.9Å; V64-V136 HydrophobicContact CG2-CG2 4.15Å; F113-V136 HydrophobicContact CB-CG2 4.06Å; F113-V136 HydrophobicContact CD1-CG2 3.8Å; F113-V136 HydrophobicContact CD2-CB 4.47Å; F113-V136 HydrophobicContact CD2-CG1 4.07Å; F113-V136 HydrophobicContact CD2-CG2 3.58Å; F113-V136 HydrophobicContact CE1-CG2 4.08Å; F113-V136 HydrophobicContact CE2-CB 4.48Å; F113-V136 HydrophobicContact CE2-CG1 4.03Å; F113-V136 HydrophobicContact CE2-CG2 3.88Å; F113-V136 HydrophobicContact CG-CG2 3.54Å; F113-V136 HydrophobicContact CZ-CG2 4.11Å; V132-V136 HydrophobicContact CG1-CB 4.34Å; V132-V136 HydrophobicContact CG1-CG2 4.49Å; V132-V136 WeakPolarHBondContact O-CA 3.45Å; V132-V136 WeakPolarHBondContact O-CB 3.42Å; V132-V136 PolarHBondContact O-N 2.88Å
137G95.5Very high97.9Very high23 Ų2343.7 Ų43.724%0.23722%0.216CC..  trans108.9-157.8-174.700000112.8V132 R133V132-G137 PolarHBondContact O-N 3.42Å; V132-G137 VanDerWaalsContact O-N 3.14Å; R133-G137 VanDerWaalsContact O-CA 3.32Å; R133-G137 WeakPolarHBondContact O-CA 3.45Å; R133-G137 PolarHBondContact O-N 2.95Å
138E96.9Very high97.7Very high77 Ų7739.4 Ų39.436%0.3619%0.194SC..  trans-79128.5-171-60.2-57.9149.100112.6V38 R133 S140 T183V38-E138 WeakPolarHBondContact CB-O 3.45Å; R133-E138 WeakPolarHBondContact CD-OE1 3.24Å; R133-E138 WeakPolarHBondContact CG-OE1 3.26Å; R133-E138 IonicContact NE-OE1 2.71Å; R133-E138 IonicContact NE-OE2 3.64Å; E138-S140 PolarHBondContact O-N 3.47Å; E138-T183 HydrophobicContact CB-CG2 4Å; E138-T183 HydrophobicContact CG-CG2 3.5Å; E138-T183 WeakPolarHBondContact OE2-CB 3.44Å; E138-T183 WeakPolarHBondContact OE2-CG2 3.13Å; E138-T183 PolarHBondContact OE2-OG1 2.81Å
139V98.2Very high97.4Very high6 Ų640 Ų404%0.03620%0.197CC..  trans-75122.6177.4175.30000109.6V38 L40 V132 V141 L142 F180 M184V38-V139 HydrophobicContact CG1-CG2 4.18Å; L40-V139 HydrophobicContact CB-CG1 3.72Å; L40-V139 HydrophobicContact CB-CG2 4.11Å; L40-V139 HydrophobicContact CD1-CG2 3.96Å; V132-V139 HydrophobicContact CG1-CG2 3.93Å; V139-V141 VanDerWaalsContact CG1-O 3.3Å; V139-V141 WeakPolarHBondContact CG1-O 3.23Å; V139-L142 HydrophobicContact CG1-CB 4.46Å; V139-F180 HydrophobicContact CB-CD1 3.84Å; V139-F180 HydrophobicContact CB-CE1 4.31Å; V139-F180 HydrophobicContact CB-CG 4.23Å; V139-F180 HydrophobicContact CG2-CD1 3.69Å; V139-F180 HydrophobicContact CG2-CE1 3.63Å; V139-F180 HydrophobicContact CG2-CG 4.4Å; V139-F180 HydrophobicContact CG2-CZ 4.31Å; V139-M184 HydrophobicContact CG1-CE 4.37Å; V139-M184 WeakPolarHBondContact O-CE 3.23Å
140S97.8Very high96.9Very high16 Ų1640.2 Ų40.211%0.11220%0.199CC..SBendtrans-96.8-28.3178.8610000113.2Q37 V38 E138 G190 H191Q37-S140 VanDerWaalsContact CB-OG 3.32Å; Q37-S140 WeakPolarHBondContact CB-OG 3.24Å; V38-S140 PolarHBondContact N-OG 2.69Å; V38-S140 VanDerWaalsContact N-OG 3.11Å; V38-S140 PolarHBondContact O-N 3.46Å; V38-S140 PolarHBondContact O-OG 2.71Å; E138-S140 PolarHBondContact O-N 3.47Å; S140-G190 CarbonylContact O-C 3.1Å; S140-G190 WeakPolarHBondContact O-CA 3.42Å; S140-H191 PolarHBondContact O-N 3.19Å
141V98.6Very high96.3Very high1 Ų135.4 Ų35.41%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-128.9121.1175.2-178.30000108.9V38 C39 L40 F56 V139 V143 H191 V193V38-V141 PolarHBondContact O-N 3.19Å; C39-V141 CarbonylContact C-O 3.52Å; C39-V141 WeakPolarHBondContact CA-O 3.29Å; C39-V141 HydrophobicContact CB-CB 4.21Å; L40-V141 PolarHBondContact N-O 3.03Å; F56-V141 HydrophobicContact CE1-CG1 4.28Å; F56-V141 HydrophobicContact CZ-CG1 4.06Å; V139-V141 VanDerWaalsContact CG1-O 3.3Å; V139-V141 WeakPolarHBondContact CG1-O 3.23Å; V141-V143 HydrophobicContact CG1-CG2 4.16Å; V141-H191 CarbonylContact C-O 3.57Å; V141-H191 WeakPolarHBondContact CA-O 3.47Å; V141-H191 HydrophobicContact CG1-CB 4.25Å; V141-H191 HydrophobicContact CG2-CB 4.13Å; V141-V193 HydrophobicContact CG1-CG2 4.45Å
142L98.9Very high95.8Very high1 Ų130.8 Ų30.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-109114.9175.9173.962.5000109.5L40 V139 N144 F180 M184 H191 V193L40-L142 HydrophobicContact CB-CD1 4.32Å; L40-L142 HydrophobicContact CD2-CD1 3.61Å; L40-L142 HydrophobicContact CG-CD1 4.45Å; V139-L142 HydrophobicContact CG1-CB 4.46Å; L142-N144 WeakPolarHBondContact CD2-ND2 3.27Å; L142-F180 HydrophobicContact CD1-CD2 4.04Å; L142-F180 HydrophobicContact CD1-CE2 4.38Å; L142-F180 HydrophobicContact CD2-CD2 4.14Å; L142-M184 HydrophobicContact CB-CE 4.3Å; L142-H191 PolarHBondContact N-O 2.96Å; L142-V193 PolarHBondContact O-N 2.94Å
143V98.9Very high95.4Very high0 Ų033.6 Ų33.60%017%0.174CC..EExtended strand (participates in β ladder)trans-102.495.6174-171.60000109.6L40 I41 T42 F52 F56 V141 N145 V193 V195L40-V143 PolarHBondContact O-N 3.39Å; I41-V143 HydrophobicContact CB-CB 4.41Å; I41-V143 HydrophobicContact CG1-CB 4.11Å; I41-V143 HydrophobicContact CG1-CG2 4.18Å; I41-V143 HydrophobicContact CG2-CB 4.28Å; I41-V143 HydrophobicContact CG2-CG1 4.38Å; T42-V143 PolarHBondContact N-O 3.09Å; T42-V143 PolarHBondContact OG1-O 2.71Å; F52-V143 HydrophobicContact CD2-CG1 4.32Å; F52-V143 HydrophobicContact CG-CG1 4.43Å; F56-V143 HydrophobicContact CE2-CG2 3.79Å; F56-V143 HydrophobicContact CZ-CG2 4.08Å; V141-V143 HydrophobicContact CG1-CG2 4.16Å; V143-N145 HydrophobicContact CG1-CB 4.06Å; V143-N145 PolarHBondContact O-N 3.01Å; V143-N145 VanDerWaalsContact O-N 3.1Å; V143-V193 HydrophobicContact CB-CB 4.44Å; V143-V193 HydrophobicContact CG1-CB 4.34Å; V143-V193 HydrophobicContact CG1-CG1 4.22Å; V143-V193 HydrophobicContact CG2-CB 4.2Å; V143-V193 HydrophobicContact CG2-CG2 4.34Å; V143-V195 HydrophobicContact CG1-CG2 4.27Å
144N98.8Very high95.2Very high1 Ų134.7 Ų34.71%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-77.892.8172.3-69.9-50.3000109.5L142 H173 T176 V193 V195L142-N144 WeakPolarHBondContact CD2-ND2 3.27Å; N144-H173 WeakPolarHBondContact CB-CE1 3.39Å; N144-H173 VanDerWaalsContact CB-ND1 3.35Å; N144-H173 WeakPolarHBondContact CB-ND1 3.32Å; N144-H173 PolarHBondContact O-CE1 3.34Å; N144-T176 PolarHBondContact ND2-OG1 3.05Å; N144-T176 WeakPolarHBondContact OD1-CB 3.43Å; N144-T176 PolarHBondContact OD1-OG1 2.83Å; N144-V193 PolarHBondContact N-O 3.37Å; N144-V195 PolarHBondContact O-N 2.85Å
145N98.5Very high95Very high18 Ų1834 Ų3410%0.09619%0.189CC..  trans-116.9-25.3-174.1162.388.5000114.5T42 G43 L48 G49 V143 G147 V195T42-N145 WeakPolarHBondContact O-CB 3.45Å; T42-N145 PolarHBondContact O-ND2 3.07Å; T42-N145 PolarHBondContact OG1-N 2.97Å; G43-N145 PolarHBondContact O-ND2 3.29Å; L48-N145 WeakPolarHBondContact CB-OD1 3.25Å; G49-N145 WeakPolarHBondContact CA-ND2 3.31Å; G49-N145 PolarHBondContact N-ND2 3.15Å; V143-N145 HydrophobicContact CG1-CB 4.06Å; V143-N145 PolarHBondContact O-N 3.01Å; V143-N145 VanDerWaalsContact O-N 3.1Å; N145-G147 PolarHBondContact O-N 3.36Å; N145-V195 HydrophobicContact CB-CB 4.21Å; N145-V195 HydrophobicContact CB-CG2 3.76Å
146A97.5Very high94.7Very high10 Ų1034.1 Ų34.18%0.08319%0.19CC..  trans-48.8134.9-178.400000111.7T42 V119 V168T42-A146 PolarHBondContact O-N 3.22Å; T42-A146 PolarHBondContact OG1-N 2.93Å; V119-A146 HydrophobicContact CG2-CB 3.7Å; A146-V168 HydrophobicContact CB-CG1 4.37Å
147G95.9Very high94.5Very high24 Ų2433.3 Ų33.325%0.24719%0.185CC..  trans-161146.4-177.400000113N145 N169 M250N145-G147 PolarHBondContact O-N 3.36Å; G147-N169 WeakPolarHBondContact CA-OD1 3.48Å; G147-M250 VanDerWaalsContact O-CE 3.26Å; G147-M250 WeakPolarHBondContact O-CE 3.48Å
148V95Very high94.4Very high30 Ų3035 Ų3518%0.18219%0.192CC..  trans-136.8166.4177.4-60.70000110.5R164 V168 N169 Y210V148-R164 HydrophobicContact CG2-CG 4.33Å; V148-V168 HydrophobicContact CG1-CG1 4.16Å; V148-V168 HydrophobicContact CG2-CB 3.9Å; V148-V168 HydrophobicContact CG2-CG1 4.18Å; V148-V168 HydrophobicContact CG2-CG2 4.27Å; V148-N169 PolarHBondContact N-OD1 3.48Å; V148-N169 PolarHBondContact O-ND2 2.66Å; V148-N169 PolarHBondContact O-OD1 3.21Å; V148-Y210 WeakPolarHBondContact O-CD2 3.34Å
149V92.1Very high94.4Very high15 Ų1536.7 Ų36.79%0.09120%0.204CC..  trans-141.4137.1174.658.60000108.4V207 Y210 M250 F251 F324V149-V207 HydrophobicContact CG2-CG1 4.4Å; V149-Y210 HydrophobicContact CB-CD2 4Å; V149-Y210 HydrophobicContact CG2-CD2 4.23Å; V149-Y210 HydrophobicContact CG2-CG 4.46Å; V149-M250 HydrophobicContact CG1-CG 3.72Å; V149-F251 HydrophobicContact CB-CE1 4.49Å; V149-F251 HydrophobicContact CG2-CE1 4.16Å; V149-F324 HydrophobicContact CG1-CZ 3.87Å; V149-F324 HydrophobicContact CG2-CE1 4.21Å; V149-F324 HydrophobicContact CG2-CZ 4.27Å
150S88.5Confident94.3Very high7 Ų742.7 Ų42.75%0.04923%0.231CC..  trans-67.4-46.3179.955.80000112.3H152 D209S150-H152 PolarHBondContact O-ND1 3.32Å; S150-D209 WeakPolarHBondContact CB-OD2 3.41Å; S150-D209 PolarHBondContact OG-OD1 3.39Å; S150-D209 PolarHBondContact OG-OD2 3.25Å
151G85.8Confident94.2Very high1 Ų144.3 Ų44.31%0.0124%0.238CC..  trans78.126.7177.600000115.5
152H87.5Confident94.1Very high30 Ų3046.2 Ų46.214%0.13925%0.248CC..SBendtrans-125153.6177.4-6377.6000110.2S150 C157S150-H152 PolarHBondContact O-ND1 3.32Å; H152-C157 HydrophobicContact CB-CB 3.61Å
153H90Very high94Very high58 Ų5851.9 Ų51.927%0.26927%0.274SS..  trans-64.8147.8164.4-76.7-66.3000109.8L155 E156 C157 Y322H153-L155 VanDerWaalsContact C-N 3.29Å; H153-L155 PolarHBondContact O-N 3.16Å; H153-L155 VanDerWaalsContact O-N 3.13Å; H153-E156 CarbonylContact O-C 3.54Å; H153-E156 WeakPolarHBondContact O-CA 3.45Å; H153-E156 PolarHBondContact O-N 3.11Å; H153-C157 WeakPolarHBondContact O-CB 3.5Å; H153-C157 PolarHBondContact O-N 2.93Å; H153-Y322 AromaticContact CE1-CD1 4Å; H153-Y322 AromaticContact CE1-CE1 3.73Å
154L92.9Very high93.9Very high98 Ų9858.5 Ų58.551%0.51330%0.3SS..G310 helixtrans-46.1-48.1-177-17963.3000114.1E156 C157 I162L154-E156 VanDerWaalsContact C-N 3.28Å; L154-E156 PolarHBondContact O-N 2.81Å; L154-C157 PolarHBondContact O-N 3.03Å; L154-I162 HydrophobicContact CD1-CD1 4.25Å
155L94Very high93.9Very high175 Ų17558.5 Ų58.592%0.91630%0.3SS*.G310 helixtrans-72.6-18.5-178-59.7-178.6000114.3H153H153-L155 VanDerWaalsContact C-N 3.29Å; H153-L155 PolarHBondContact O-N 3.16Å; H153-L155 VanDerWaalsContact O-N 3.13Å
156E91.2Very high93.8Very high97 Ų9760.3 Ų60.345%0.45331%0.308SS..G310 helixtrans-106.5-0.1178.9-58.9-172.2159.600111.8H153 L154 P158 K329H153-E156 CarbonylContact O-C 3.54Å; H153-E156 WeakPolarHBondContact O-CA 3.45Å; H153-E156 PolarHBondContact O-N 3.11Å; L154-E156 VanDerWaalsContact C-N 3.28Å; L154-E156 PolarHBondContact O-N 2.81Å; E156-P158 WeakPolarHBondContact O-CD 3.47Å; E156-K329 IonicContact OE1-NZ 2.83Å; E156-K329 PolarHBondContact OE1-NZ 2.95Å; E156-K329 IonicContact OE2-NZ 2.81Å; E156-K329 PolarHBondContact OE2-NZ 3.4Å
157C91.5Very high93.9Very high12 Ų1262.9 Ų62.98%0.08132%0.319CS..SBendtrans-88.1120.1-177.2-169.50000109.5H152 H153 L154 I162H152-C157 HydrophobicContact CB-CB 3.61Å; H153-C157 WeakPolarHBondContact O-CB 3.5Å; H153-C157 PolarHBondContact O-N 2.93Å; L154-C157 PolarHBondContact O-N 3.03Å; C157-I162 HydrophobicContact CB-CD1 4.2Å; C157-I162 HydrophobicContact CB-CG1 4.18Å; C157-I162 WeakPolarHBondContact SG-CG1 3.27Å
158P94.2Very high94Very high59 Ų5962.3 Ų62.338%0.38331%0.311SS..  trans-57.3140.6169.3-23.533.6000111.5E156 E160 L161 I162E156-P158 WeakPolarHBondContact O-CD 3.47Å; P158-E160 PolarHBondContact O-N 2.98Å; P158-L161 HydrophobicContact CB-CG 4.45Å; P158-L161 HydrophobicContact CG-CD1 4.36Å; P158-L161 PolarHBondContact O-N 2.92Å; P158-I162 PolarHBondContact O-N 3.41Å
159D96.8Very high94.2Very high112 Ų11260.9 Ų60.960%0.59930%0.302SS*.Hα-helixtrans-58.3-37-177.3-72-25.9000111.6L161 I162 E163D159-L161 PolarHBondContact O-N 3.49Å; D159-I162 WeakPolarHBondContact O-CB 3.42Å; D159-I162 PolarHBondContact O-N 3.11Å; D159-E163 WeakPolarHBondContact O-CG 3.43Å; D159-E163 PolarHBondContact O-N 2.79Å
160E96.5Very high94.5Very high132 Ų13260.5 Ų60.562%0.61730%0.3SS*.Hα-helixtrans-63.6-30.1-179.8-57.377.9-170.500112.4P158 R164P158-E160 PolarHBondContact O-N 2.98Å; E160-R164 VanDerWaalsContact O-CB 3.24Å; E160-R164 WeakPolarHBondContact O-CB 3.34Å; E160-R164 PolarHBondContact O-N 3.34Å
161L94.7Very high95Very high50 Ų5063.5 Ų63.526%0.26231%0.313SS..Hα-helixtrans-75.1-36.7175-65.5-172.1000111.6P158 D159 R164 T165P158-L161 HydrophobicContact CB-CG 4.45Å; P158-L161 HydrophobicContact CG-CD1 4.36Å; P158-L161 PolarHBondContact O-N 2.92Å; D159-L161 PolarHBondContact O-N 3.49Å; L161-R164 PolarHBondContact O-N 3.4Å; L161-T165 PolarHBondContact O-N 3.26Å; L161-T165 PolarHBondContact O-OG1 2.91Å; L161-T165 VanDerWaalsContact O-OG1 3.14Å
162I96.3Very high95.6Very high40 Ų4063.7 Ų63.721%0.20531%0.314CS..Hα-helixtrans-63.3-49.4174.5-59.3176.3000109.3L154 C157 P158 D159 R164 T165 M166 D209L154-I162 HydrophobicContact CD1-CD1 4.25Å; C157-I162 HydrophobicContact CB-CD1 4.2Å; C157-I162 HydrophobicContact CB-CG1 4.18Å; C157-I162 WeakPolarHBondContact SG-CG1 3.27Å; P158-I162 PolarHBondContact O-N 3.41Å; D159-I162 WeakPolarHBondContact O-CB 3.42Å; D159-I162 PolarHBondContact O-N 3.11Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 2.98Å; I162-T165 PolarHBondContact O-N 2.91Å; I162-M166 PolarHBondContact O-N 3.48Å; I162-D209 HydrophobicContact CG2-CB 4.02Å
163E97.5Very high96.1Very high120 Ų12062.3 Ų62.356%0.56131%0.308SS*.Hα-helixtrans-57.6-46.9176.2-71.7-176.317500111.3D159 T165 M166 M167D159-E163 WeakPolarHBondContact O-CG 3.43Å; D159-E163 PolarHBondContact O-N 2.79Å; E163-T165 VanDerWaalsContact C-N 3.33Å; E163-T165 PolarHBondContact O-N 3.24Å; E163-M166 PolarHBondContact O-N 3.22Å; E163-M166 VanDerWaalsContact O-N 3.16Å; E163-M167 WeakPolarHBondContact O-CB 3.27Å; E163-M167 VanDerWaalsContact O-CG 3.25Å; E163-M167 WeakPolarHBondContact O-CG 3.49Å; E163-M167 PolarHBondContact O-N 3.14Å
164R97.6Very high96.5Very high140 Ų14064 Ų6453%0.52832%0.315SS..Hα-helixtrans-58.2-44.1177.3-178.7-176.8171.4-179-0.7112.1V148 E160 L161 I162 M166 M167 V168V148-R164 HydrophobicContact CG2-CG 4.33Å; E160-R164 VanDerWaalsContact O-CB 3.24Å; E160-R164 WeakPolarHBondContact O-CB 3.34Å; E160-R164 PolarHBondContact O-N 3.34Å; L161-R164 PolarHBondContact O-N 3.4Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 2.98Å; R164-M166 VanDerWaalsContact C-N 3.34Å; R164-M167 PolarHBondContact O-N 3.2Å; R164-V168 HydrophobicContact CG-CG2 4.42Å; R164-V168 WeakPolarHBondContact O-CG2 3.08Å; R164-V168 PolarHBondContact O-N 3.31Å
165T97.5Very high96.8Very high1 Ų161 Ų611%0.00630%0.297CS..Hα-helixtrans-58.7-47.4176-63.40000110.6L161 I162 E163 N169 D209L161-T165 PolarHBondContact O-N 3.26Å; L161-T165 PolarHBondContact O-OG1 2.91Å; L161-T165 VanDerWaalsContact O-OG1 3.14Å; I162-T165 PolarHBondContact O-N 2.91Å; E163-T165 VanDerWaalsContact C-N 3.33Å; E163-T165 PolarHBondContact O-N 3.24Å; T165-N169 WeakPolarHBondContact O-CB 3.36Å; T165-N169 PolarHBondContact O-N 2.85Å; T165-D209 VanDerWaalsContact CB-OD2 3.25Å; T165-D209 WeakPolarHBondContact CB-OD2 3.1Å; T165-D209 HydrophobicContact CG2-CB 4.26Å; T165-D209 WeakPolarHBondContact CG2-OD2 3.37Å; T165-D209 PolarHBondContact OG1-OD2 3.5Å
166M98.1Very high97Very high55 Ų5552.7 Ų52.727%0.27125%0.253SS..Hα-helixtrans-64.9-42.8179.1-71.9-60.6-65.400112.8I162 E163 R164 C170 H171 A212I162-M166 PolarHBondContact O-N 3.48Å; E163-M166 PolarHBondContact O-N 3.22Å; E163-M166 VanDerWaalsContact O-N 3.16Å; R164-M166 VanDerWaalsContact C-N 3.34Å; M166-C170 WeakPolarHBondContact O-CA 3.36Å; M166-C170 VanDerWaalsContact O-CB 3.29Å; M166-C170 WeakPolarHBondContact O-CB 3.25Å; M166-C170 PolarHBondContact O-N 3.23Å; M166-C170 VanDerWaalsContact O-N 3.09Å; M166-H171 PolarHBondContact O-N 2.95Å; M166-A212 HydrophobicContact SD-CB 4.34Å
167M98.5Very high97.4Very high65 Ų6548.3 Ų48.332%0.3223%0.233SC..Iπ-helixtrans-64.7-47-178.8-69.4-62.9172.800111.6E163 R164 H171 A172 W175E163-M167 WeakPolarHBondContact O-CB 3.27Å; E163-M167 VanDerWaalsContact O-CG 3.25Å; E163-M167 WeakPolarHBondContact O-CG 3.49Å; E163-M167 PolarHBondContact O-N 3.14Å; R164-M167 PolarHBondContact O-N 3.2Å; M167-H171 PolarHBondContact O-N 3.43Å; M167-H171 HydrophobicContact SD-CB 4.06Å; M167-H171 PolarHBondContact SD-ND1 3.06Å; M167-A172 WeakPolarHBondContact O-CB 3Å; M167-A172 PolarHBondContact O-N 2.94Å; M167-W175 HydrophobicContact SD-CH2 3.72Å; M167-W175 HydrophobicContact SD-CZ2 4.18Å
168V98.5Very high97.7Very high11 Ų1154.6 Ų54.67%0.06726%0.259CS..Iπ-helixtrans-76.9-43.7-177175.30000112.4V119 A146 V148 R164 A172V119-V168 HydrophobicContact CG2-CG1 4Å; A146-V168 HydrophobicContact CB-CG1 4.37Å; V148-V168 HydrophobicContact CG1-CG1 4.16Å; V148-V168 HydrophobicContact CG2-CB 3.9Å; V148-V168 HydrophobicContact CG2-CG1 4.18Å; V148-V168 HydrophobicContact CG2-CG2 4.27Å; R164-V168 HydrophobicContact CG-CG2 4.42Å; R164-V168 WeakPolarHBondContact O-CG2 3.08Å; R164-V168 PolarHBondContact O-N 3.31Å; V168-A172 VanDerWaalsContact O-CB 3.23Å; V168-A172 WeakPolarHBondContact O-CB 3.34Å
169N98.3Very high97.9Very high0 Ų052.1 Ų52.10%024%0.244CC..Iπ-helixtrans-86-19.7-171.2-64.21.7000113.7G147 V148 T165 Y210 S213G147-N169 WeakPolarHBondContact CA-OD1 3.48Å; V148-N169 PolarHBondContact N-OD1 3.48Å; V148-N169 PolarHBondContact O-ND2 2.66Å; V148-N169 PolarHBondContact O-OD1 3.21Å; T165-N169 WeakPolarHBondContact O-CB 3.36Å; T165-N169 PolarHBondContact O-N 2.85Å; N169-Y210 WeakPolarHBondContact ND2-CD2 3.29Å; N169-S213 VanDerWaalsContact CB-OG 3.23Å; N169-S213 WeakPolarHBondContact CB-OG 3.38Å; N169-S213 PolarHBondContact ND2-OG 3.11Å; N169-S213 VanDerWaalsContact ND2-OG 3.15Å
170C98.5Very high98Very high8 Ų847 Ų475%0.05422%0.216CC..Iπ-helixtrans-124.7-64.3-175.1-173.50000111.3M166 A172 H173 F174M166-C170 WeakPolarHBondContact O-CA 3.36Å; M166-C170 VanDerWaalsContact O-CB 3.29Å; M166-C170 WeakPolarHBondContact O-CB 3.25Å; M166-C170 PolarHBondContact O-N 3.23Å; M166-C170 VanDerWaalsContact O-N 3.09Å; C170-A172 VanDerWaalsContact C-N 3.31Å; C170-A172 PolarHBondContact O-N 3.38Å; C170-H173 WeakPolarHBondContact O-CB 3.16Å; C170-H173 PolarHBondContact O-N 3.36Å; C170-F174 WeakPolarHBondContact O-CD2 3.38Å
171H98.6Very high98.1Very high70 Ų7041.9 Ų41.932%0.32419%0.192SC..Iπ-helixtrans-62-38.2-172.9-71.3-151.1000112.9M166 M167 H173 F174 W175M166-H171 PolarHBondContact O-N 2.95Å; M167-H171 PolarHBondContact O-N 3.43Å; M167-H171 HydrophobicContact SD-CB 4.06Å; M167-H171 PolarHBondContact SD-ND1 3.06Å; H171-H173 PolarHBondContact O-N 2.93Å; H171-H173 VanDerWaalsContact O-N 3.14Å; H171-F174 WeakPolarHBondContact O-CB 3.47Å; H171-F174 PolarHBondContact O-N 3.13Å; H171-W175 HydrophobicContact CB-CH2 3.76Å; H171-W175 HydrophobicContact CB-CZ2 3.58Å; H171-W175 HydrophobicContact CB-CZ3 4.27Å; H171-W175 PolarHBondContact O-N 2.92Å
172A98.7Very high98.3Very high4 Ų442.5 Ų42.53%0.03320%0.199CC..Hα-helixtrans-49.6-39.9175.100000112.5V119 M167 V168 C170 F174 W175 T176V119-A172 HydrophobicContact CB-CB 3.89Å; V119-A172 HydrophobicContact CG2-CB 4.04Å; V119-A172 WeakPolarHBondContact O-CB 3.49Å; M167-A172 WeakPolarHBondContact O-CB 3Å; M167-A172 PolarHBondContact O-N 2.94Å; V168-A172 VanDerWaalsContact O-CB 3.23Å; V168-A172 WeakPolarHBondContact O-CB 3.34Å; C170-A172 VanDerWaalsContact C-N 3.31Å; C170-A172 PolarHBondContact O-N 3.38Å; A172-F174 VanDerWaalsContact C-N 3.31Å; A172-F174 PolarHBondContact O-N 3.14Å; A172-W175 PolarHBondContact O-N 3.3Å; A172-W175 VanDerWaalsContact O-N 3.16Å; A172-T176 WeakPolarHBondContact O-CG2 3.45Å; A172-T176 PolarHBondContact O-N 3.24Å; A172-T176 PolarHBondContact O-OG1 3.3Å
173H98.8Very high98.3Very high2 Ų241.6 Ų41.61%0.00920%0.196CC..Hα-helixtrans-66.6-33.4-179.1-72.7-128.1000112.3N144 C170 H171 T176 T177 V217 F220N144-H173 WeakPolarHBondContact CB-CE1 3.39Å; N144-H173 VanDerWaalsContact CB-ND1 3.35Å; N144-H173 WeakPolarHBondContact CB-ND1 3.32Å; N144-H173 PolarHBondContact O-CE1 3.34Å; C170-H173 WeakPolarHBondContact O-CB 3.16Å; C170-H173 PolarHBondContact O-N 3.36Å; H171-H173 PolarHBondContact O-N 2.93Å; H171-H173 VanDerWaalsContact O-N 3.14Å; H173-T176 PolarHBondContact O-OG1 2.87Å; H173-T177 WeakPolarHBondContact O-CB 3.33Å; H173-T177 PolarHBondContact O-N 3.33Å; H173-T177 VanDerWaalsContact O-N 3.12Å; H173-T177 PolarHBondContact O-OG1 3.45Å; H173-V217 HydrophobicContact CB-CG2 3.85Å; H173-V217 WeakPolarHBondContact ND1-CG2 3.12Å; H173-F220 HydrophobicContact CB-CD1 4.07Å; H173-F220 HydrophobicContact CB-CE1 3.86Å
174F98.8Very high98.4Very high94 Ų9436 Ų3641%0.41217%0.17SC..Hα-helixtrans-65.9-45.4172.2-66.3-96.1000110.5C170 H171 A172 K178 F220C170-F174 WeakPolarHBondContact O-CD2 3.38Å; H171-F174 WeakPolarHBondContact O-CB 3.47Å; H171-F174 PolarHBondContact O-N 3.13Å; A172-F174 VanDerWaalsContact C-N 3.31Å; A172-F174 PolarHBondContact O-N 3.14Å; F174-K178 WeakPolarHBondContact O-CB 3.34Å; F174-K178 PolarHBondContact O-N 2.95Å; F174-F220 AromaticContact CD1-CD2 3.61Å; F174-F220 HydrophobicContact CD1-CD2 3.61Å; F174-F220 AromaticContact CD1-CE2 3.76Å; F174-F220 HydrophobicContact CD1-CE2 3.76Å; F174-F220 HydrophobicContact CD2-CD2 4.44Å; F174-F220 HydrophobicContact CE1-CB 4.36Å; F174-F220 AromaticContact CE1-CD2 3.37Å; F174-F220 HydrophobicContact CE1-CD2 3.37Å; F174-F220 HydrophobicContact CE1-CE2 4.01Å; F174-F220 HydrophobicContact CE1-CG 4.15Å; F174-F220 HydrophobicContact CE2-CB 4.26Å; F174-F220 HydrophobicContact CE2-CD2 4.24Å; F174-F220 HydrophobicContact CE2-CG 4.29Å; F174-F220 HydrophobicContact CG-CD2 4.16Å; F174-F220 HydrophobicContact CG-CE2 4.2Å; F174-F220 HydrophobicContact CZ-CB 3.87Å; F174-F220 AromaticContact CZ-CD2 3.72Å; F174-F220 HydrophobicContact CZ-CD2 3.72Å; F174-F220 HydrophobicContact CZ-CG 4.03Å
175W98.8Very high98.4Very high35 Ų3532 Ų3213%0.13316%0.158CC..Hα-helixtrans-70.7-46.5-175-54.1-28.1000112.5V119 G120 R122 V125 M167 H171 A172 K178 A179V119-W175 WeakPolarHBondContact O-CZ3 3.37Å; G120-W175 WeakPolarHBondContact O-CZ3 3.33Å; R122-W175 HydrophobicContact CB-CD2 3.7Å; R122-W175 HydrophobicContact CB-CE3 3.96Å; R122-W175 HydrophobicContact CB-CG 4.22Å; R122-W175 HydrophobicContact CB-CH2 4.1Å; R122-W175 HydrophobicContact CB-CZ2 3.84Å; R122-W175 HydrophobicContact CB-CZ3 4.17Å; R122-W175 HydrophobicContact CG-CD2 3.91Å; R122-W175 HydrophobicContact CG-CG 3.9Å; R122-W175 HydrophobicContact CG-CZ2 4.49Å; V125-W175 HydrophobicContact CB-CB 4.25Å; V125-W175 HydrophobicContact CG1-CB 3.85Å; V125-W175 HydrophobicContact CG2-CB 4.47Å; V125-W175 HydrophobicContact CG2-CE3 4.3Å; M167-W175 HydrophobicContact SD-CH2 3.72Å; M167-W175 HydrophobicContact SD-CZ2 4.18Å; H171-W175 HydrophobicContact CB-CH2 3.76Å; H171-W175 HydrophobicContact CB-CZ2 3.58Å; H171-W175 HydrophobicContact CB-CZ3 4.27Å; H171-W175 PolarHBondContact O-N 2.92Å; A172-W175 PolarHBondContact O-N 3.3Å; A172-W175 VanDerWaalsContact O-N 3.16Å; W175-K178 PolarHBondContact O-N 3.04Å; W175-A179 WeakPolarHBondContact O-CB 3.32Å; W175-A179 PolarHBondContact O-N 2.77Å
176T98.8Very high98.4Very high0 Ų039.4 Ų39.40%019%0.193CC..Hα-helixtrans-64.7-43.7177.655.30000110.6T42 W66 V125 N144 A172 H173 A179 F180T42-T176 HydrophobicContact CG2-CG2 4.29Å; W66-T176 HydrophobicContact CZ3-CG2 4.37Å; V125-T176 HydrophobicContact CG1-CG2 3.9Å; N144-T176 PolarHBondContact ND2-OG1 3.05Å; N144-T176 WeakPolarHBondContact OD1-CB 3.43Å; N144-T176 PolarHBondContact OD1-OG1 2.83Å; A172-T176 WeakPolarHBondContact O-CG2 3.45Å; A172-T176 PolarHBondContact O-N 3.24Å; A172-T176 PolarHBondContact O-OG1 3.3Å; H173-T176 PolarHBondContact O-OG1 2.87Å; T176-A179 PolarHBondContact O-N 3.14Å; T176-F180 WeakPolarHBondContact O-CD2 3.27Å; T176-F180 PolarHBondContact O-N 3.39Å
177T98.8Very high98.4Very high5 Ų541.6 Ų41.63%0.03121%0.205CC..Hα-helixtrans-62.7-46.7176.1-58.70000110.7H173 A179 F180 L181 I192 F220 L224H173-T177 WeakPolarHBondContact O-CB 3.33Å; H173-T177 PolarHBondContact O-N 3.33Å; H173-T177 VanDerWaalsContact O-N 3.12Å; H173-T177 PolarHBondContact O-OG1 3.45Å; T177-A179 PolarHBondContact O-N 2.87Å; T177-F180 PolarHBondContact O-N 3.1Å; T177-L181 HydrophobicContact CG2-CB 4.01Å; T177-L181 HydrophobicContact CG2-CD2 3.98Å; T177-L181 WeakPolarHBondContact O-CA 3.48Å; T177-L181 WeakPolarHBondContact O-CB 3.32Å; T177-L181 PolarHBondContact O-N 2.91Å; T177-I192 HydrophobicContact CG2-CD1 3.76Å; T177-F220 HydrophobicContact CG2-CZ 4.07Å; T177-L224 HydrophobicContact CG2-CD2 3.76Å
178K98.4Very high98.4Very high144 Ų14441.4 Ų41.463%0.62621%0.205SC*.Hα-helixtrans-61.2-30.3177.1-177165.4173.8179.30113Y126 F174 W175 P182Y126-K178 HydrophobicContact CE1-CG 4.43Å; Y126-K178 WeakPolarHBondContact OH-CD 3.39Å; F174-K178 WeakPolarHBondContact O-CB 3.34Å; F174-K178 PolarHBondContact O-N 2.95Å; W175-K178 PolarHBondContact O-N 3.04Å; K178-P182 VanDerWaalsContact O-CD 3.27Å; K178-P182 WeakPolarHBondContact O-CD 3.4Å
179A98.5Very high98.4Very high7 Ų745 Ų456%0.05822%0.221CC..Hα-helixtrans-73.5-31.5178.300000113.9Y126 A129 R133 W175 T176 T177Y126-A179 HydrophobicContact CD1-CB 3.96Å; Y126-A179 HydrophobicContact CE1-CB 4.07Å; A129-A179 HydrophobicContact CB-CB 3.68Å; R133-A179 PolarHBondContact NH2-O 2.83Å; W175-A179 WeakPolarHBondContact O-CB 3.32Å; W175-A179 PolarHBondContact O-N 2.77Å; T176-A179 PolarHBondContact O-N 3.14Å; T177-A179 PolarHBondContact O-N 2.87Å
180F98.6Very high98.4Very high5 Ų545.2 Ų45.22%0.02222%0.223CC..Hα-helixtrans-114.2-20.8-173.1-61.4-64.9000114.8L40 W66 A129 V132 V139 L142 T176 T177 P182 M184L40-F180 HydrophobicContact CD1-CE1 4.12Å; L40-F180 HydrophobicContact CD1-CE2 3.62Å; L40-F180 HydrophobicContact CD1-CZ 3.37Å; W66-F180 AromaticContact CH2-CE2 3.96Å; W66-F180 HydrophobicContact CH2-CE2 3.96Å; W66-F180 AromaticContact CH2-CZ 3.84Å; W66-F180 HydrophobicContact CH2-CZ 3.84Å; W66-F180 HydrophobicContact CZ2-CE2 4.29Å; W66-F180 AromaticContact CZ2-CZ 3.81Å; W66-F180 HydrophobicContact CZ2-CZ 3.81Å; A129-F180 HydrophobicContact CB-CE1 3.86Å; A129-F180 HydrophobicContact CB-CE2 4.23Å; A129-F180 HydrophobicContact CB-CZ 3.56Å; V132-F180 HydrophobicContact CG1-CE1 4.46Å; V139-F180 HydrophobicContact CB-CD1 3.84Å; V139-F180 HydrophobicContact CB-CE1 4.31Å; V139-F180 HydrophobicContact CB-CG 4.23Å; V139-F180 HydrophobicContact CG2-CD1 3.69Å; V139-F180 HydrophobicContact CG2-CE1 3.63Å; V139-F180 HydrophobicContact CG2-CG 4.4Å; V139-F180 HydrophobicContact CG2-CZ 4.31Å; L142-F180 HydrophobicContact CD1-CD2 4.04Å; L142-F180 HydrophobicContact CD1-CE2 4.38Å; L142-F180 HydrophobicContact CD2-CD2 4.14Å; T176-F180 WeakPolarHBondContact O-CD2 3.27Å; T176-F180 PolarHBondContact O-N 3.39Å; T177-F180 PolarHBondContact O-N 3.1Å; F180-P182 VanDerWaalsContact C-CD 3.46Å; F180-M184 HydrophobicContact CB-CE 4.42Å
181L98.5Very high98.4Very high23 Ų2344.9 Ų44.912%0.1222%0.221CC..Hα-helixtrans-64.3-35.7-179.9178.562.1000114.6T177 T183 M184 L185 I192 L224 L228 I236T177-L181 HydrophobicContact CG2-CB 4.01Å; T177-L181 HydrophobicContact CG2-CD2 3.98Å; T177-L181 WeakPolarHBondContact O-CA 3.48Å; T177-L181 WeakPolarHBondContact O-CB 3.32Å; T177-L181 PolarHBondContact O-N 2.91Å; L181-T183 PolarHBondContact O-N 2.99Å; L181-M184 HydrophobicContact CD1-CB 4.4Å; L181-M184 WeakPolarHBondContact O-CB 3.35Å; L181-M184 PolarHBondContact O-N 2.77Å; L181-M184 VanDerWaalsContact O-N 3.12Å; L181-L185 HydrophobicContact CD1-CD1 4.29Å; L181-L185 HydrophobicContact CD1-CD2 4.17Å; L181-L185 HydrophobicContact CD1-CG 3.84Å; L181-L185 HydrophobicContact CD2-CD1 4.34Å; L181-L185 HydrophobicContact CG-CD1 3.84Å; L181-L185 HydrophobicContact CG-CG 3.93Å; L181-L185 WeakPolarHBondContact O-CG 3.06Å; L181-L185 PolarHBondContact O-N 2.85Å; L181-I192 HydrophobicContact CD1-CD1 3.96Å; L181-L224 HydrophobicContact CD2-CD1 3.83Å; L181-L228 HydrophobicContact CD1-CD2 4.09Å; L181-I236 HydrophobicContact CD1-CD1 4.19Å
182P98.2Very high98.4Very high63 Ų6341.5 Ų41.541%0.40921%0.206SC..Hα-helixtrans-53.4-50.7-178.5-29.836.9000113.7K178 F180 M184 L185 E186K178-P182 VanDerWaalsContact O-CD 3.27Å; K178-P182 WeakPolarHBondContact O-CD 3.4Å; F180-P182 VanDerWaalsContact C-CD 3.46Å; P182-M184 PolarHBondContact O-N 2.89Å; P182-L185 WeakPolarHBondContact O-CB 3.4Å; P182-L185 PolarHBondContact O-N 2.92Å; P182-L185 VanDerWaalsContact O-N 3.15Å; P182-E186 WeakPolarHBondContact O-CG 3.5Å; P182-E186 PolarHBondContact O-N 3Å
183T97.5Very high98.4Very high21 Ų2141.3 Ų41.313%0.12920%0.204CC..Hα-helixtrans-63.5-41.8177.3-42.40000111.5E138 L181 L185 E186 I187E138-T183 HydrophobicContact CB-CG2 4Å; E138-T183 HydrophobicContact CG-CG2 3.5Å; E138-T183 WeakPolarHBondContact OE2-CB 3.44Å; E138-T183 WeakPolarHBondContact OE2-CG2 3.13Å; E138-T183 PolarHBondContact OE2-OG1 2.81Å; L181-T183 PolarHBondContact O-N 2.99Å; T183-L185 PolarHBondContact O-N 2.82Å; T183-E186 PolarHBondContact O-N 3.16Å; T183-E186 VanDerWaalsContact O-N 3.12Å; T183-I187 WeakPolarHBondContact O-CG1 3.33Å; T183-I187 PolarHBondContact O-N 3.34Å
184M98.4Very high98.4Very high2 Ų241.2 Ų41.21%0.0120%0.204CC..Hα-helixtrans-57.6-37.3176.3-63.7179.1-179.400111.8V139 L142 F180 L181 P182 N188 H189 I192 I236V139-M184 HydrophobicContact CG1-CE 4.37Å; V139-M184 WeakPolarHBondContact O-CE 3.23Å; L142-M184 HydrophobicContact CB-CE 4.3Å; F180-M184 HydrophobicContact CB-CE 4.42Å; L181-M184 HydrophobicContact CD1-CB 4.4Å; L181-M184 WeakPolarHBondContact O-CB 3.35Å; L181-M184 PolarHBondContact O-N 2.77Å; L181-M184 VanDerWaalsContact O-N 3.12Å; P182-M184 PolarHBondContact O-N 2.89Å; M184-N188 WeakPolarHBondContact O-CA 3.4Å; M184-N188 PolarHBondContact O-N 3.5Å; M184-H189 WeakPolarHBondContact CA-O 3.49Å; M184-H189 WeakPolarHBondContact CB-O 3.35Å; M184-H189 PolarHBondContact O-N 3.45Å; M184-H189 VanDerWaalsContact O-N 3.11Å; M184-I192 HydrophobicContact SD-CD1 4.48Å; M184-I192 HydrophobicContact SD-CG1 4.11Å; M184-I236 VanDerWaalsContact C-CD1 3.49Å; M184-I236 HydrophobicContact CB-CD1 3.95Å; M184-I236 HydrophobicContact CB-CG1 4.33Å; M184-I236 VanDerWaalsContact O-CD1 3.29Å; M184-I236 WeakPolarHBondContact O-CD1 3.22Å
185L98.3Very high98.4Very high56 Ų5637 Ų3729%0.29319%0.186SC..Hα-helixtrans-67.3-43.6175.2-69.4168.8000112.2L181 P182 T183 N188 L228 K233 I236L181-L185 HydrophobicContact CD1-CD1 4.29Å; L181-L185 HydrophobicContact CD1-CD2 4.17Å; L181-L185 HydrophobicContact CD1-CG 3.84Å; L181-L185 HydrophobicContact CD2-CD1 4.34Å; L181-L185 HydrophobicContact CG-CD1 3.84Å; L181-L185 HydrophobicContact CG-CG 3.93Å; L181-L185 WeakPolarHBondContact O-CG 3.06Å; L181-L185 PolarHBondContact O-N 2.85Å; P182-L185 WeakPolarHBondContact O-CB 3.4Å; P182-L185 PolarHBondContact O-N 2.92Å; P182-L185 VanDerWaalsContact O-N 3.15Å; T183-L185 PolarHBondContact O-N 2.82Å; L185-N188 PolarHBondContact O-N 3.14Å; L185-L228 HydrophobicContact CD2-CD2 3.77Å; L185-K233 HydrophobicContact CD2-CB 4.49Å; L185-K233 HydrophobicContact CD2-CD 4.25Å; L185-K233 HydrophobicContact CD2-CG 3.78Å; L185-K233 WeakPolarHBondContact O-CE 3.37Å; L185-K233 PolarHBondContact O-NZ 3.19Å; L185-I236 HydrophobicContact CD2-CD1 3.74Å; L185-I236 HydrophobicContact CG-CD1 4.17Å
186E97.7Very high98.3Very high157 Ų15735.6 Ų35.673%0.73418%0.181SC*.Hα-helixtrans-60.7-46.7178.8-71.4173.5-171.500111.5P182 T183P182-E186 WeakPolarHBondContact O-CG 3.5Å; P182-E186 PolarHBondContact O-N 3Å; T183-E186 PolarHBondContact O-N 3.16Å; T183-E186 VanDerWaalsContact O-N 3.12Å
187I97.3Very high98.2Very high102 Ų10236 Ų3652%0.52318%0.184SC..Hα-helixtrans-88.6-5.9-178.671.2179.8000113.7T183 H189T183-I187 WeakPolarHBondContact O-CG1 3.33Å; T183-I187 PolarHBondContact O-N 3.34Å; I187-H189 VanDerWaalsContact C-N 3.25Å; I187-H189 HydrophobicContact CD1-CB 4.01Å; I187-H189 HydrophobicContact CG1-CB 3.88Å; I187-H189 PolarHBondContact O-N 2.81Å
188N98.2Very high97.9Very high60 Ų6035.9 Ų35.932%0.32118%0.183SC..THydrogen-bonded Turntrans47.646.8-171.9-170.624.8000112.5M184 L185 K233 G235M184-N188 WeakPolarHBondContact O-CA 3.4Å; M184-N188 PolarHBondContact O-N 3.5Å; L185-N188 PolarHBondContact O-N 3.14Å; N188-K233 HydrophobicContact CB-CD 4.35Å; N188-K233 VanDerWaalsContact OD1-CA 3.27Å; N188-K233 WeakPolarHBondContact OD1-CA 3.49Å; N188-G235 CarbonylContact O-C 3.58Å; N188-G235 VanDerWaalsContact O-CA 3.22Å; N188-G235 WeakPolarHBondContact O-CA 3.35Å; N188-G235 PolarHBondContact OD1-N 3.47Å
189H98.2Very high97.6Very high86 Ų8630 Ų3040%0.39816%0.158SC..  trans-149126.8179.6-175.686.5000109.5Q37 M184 I187Q37-H189 PolarHBondContact NE2-NE2 3.49Å; M184-H189 WeakPolarHBondContact CA-O 3.49Å; M184-H189 WeakPolarHBondContact CB-O 3.35Å; M184-H189 PolarHBondContact O-N 3.45Å; M184-H189 VanDerWaalsContact O-N 3.11Å; I187-H189 VanDerWaalsContact C-N 3.25Å; I187-H189 HydrophobicContact CD1-CB 4.01Å; I187-H189 HydrophobicContact CG1-CB 3.88Å; I187-H189 PolarHBondContact O-N 2.81Å
190G98.2Very high97.4Very high5 Ų529.7 Ų29.75%0.05216%0.156CC..EExtended strand (participates in β ladder)trans171.2173.3173.100000112.8S140 G235 I236 K237S140-G190 CarbonylContact O-C 3.1Å; S140-G190 WeakPolarHBondContact O-CA 3.42Å; G190-G235 PolarHBondContact N-O 3.03Å; G190-I236 WeakPolarHBondContact O-CA 3.42Å; G190-K237 PolarHBondContact O-N 2.92Å
191H98.8Very high97.2Very high1 Ų130.2 Ų30.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-141.6116.7171.1-162.2167.1000111.1K32 S140 V141 L142 K237 T239 I280 D283K32-H191 PolarHBondContact NZ-ND1 3.4Å; S140-H191 PolarHBondContact O-N 3.19Å; V141-H191 CarbonylContact C-O 3.57Å; V141-H191 WeakPolarHBondContact CA-O 3.47Å; V141-H191 HydrophobicContact CG1-CB 4.25Å; V141-H191 HydrophobicContact CG2-CB 4.13Å; L142-H191 PolarHBondContact N-O 2.96Å; H191-K237 CarbonylContact C-O 3.49Å; H191-K237 WeakPolarHBondContact CA-O 3.42Å; H191-K237 HydrophobicContact CB-CB 4.44Å; H191-K237 VanDerWaalsContact CD2-C 3.48Å; H191-K237 PolarHBondContact CD2-O 2.9Å; H191-K237 VanDerWaalsContact CD2-O 3.23Å; H191-T239 PolarHBondContact CE1-OG1 3.46Å; H191-T239 WeakPolarHBondContact NE2-CB 3.5Å; H191-T239 PolarHBondContact NE2-N 3.22Å; H191-T239 PolarHBondContact NE2-OG1 3.49Å; H191-I280 PolarHBondContact CE1-O 2.96Å; H191-I280 PolarHBondContact ND1-O 2.91Å; H191-D283 IonicContact CE1-OD1 3.97Å
192I98.8Very high96.8Very high0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-97.6111.5172.9-58.2171.4000109.5T177 L181 M184 L224 K237 T238 T239T177-I192 HydrophobicContact CG2-CD1 3.76Å; L181-I192 HydrophobicContact CD1-CD1 3.96Å; M184-I192 HydrophobicContact SD-CD1 4.48Å; M184-I192 HydrophobicContact SD-CG1 4.11Å; I192-L224 HydrophobicContact CD1-CD2 3.81Å; I192-L224 HydrophobicContact CG2-CD2 4.47Å; I192-K237 PolarHBondContact N-O 2.6Å; I192-T238 HydrophobicContact CB-CG2 4.43Å; I192-T238 VanDerWaalsContact O-CA 3.31Å; I192-T238 WeakPolarHBondContact O-CA 3.21Å; I192-T239 PolarHBondContact O-N 3.38Å
193V98.9Very high96.5Very high0 Ų029.9 Ų29.90%016%0.158CC..EExtended strand (participates in β ladder)trans-101.8126.9176.1-176.30000108.8V141 L142 V143 N144 T239 V241 I280V141-V193 HydrophobicContact CG1-CG2 4.45Å; L142-V193 PolarHBondContact O-N 2.94Å; V143-V193 HydrophobicContact CB-CB 4.44Å; V143-V193 HydrophobicContact CG1-CB 4.34Å; V143-V193 HydrophobicContact CG1-CG1 4.22Å; V143-V193 HydrophobicContact CG2-CB 4.2Å; V143-V193 HydrophobicContact CG2-CG2 4.34Å; N144-V193 PolarHBondContact N-O 3.37Å; V193-T239 WeakPolarHBondContact CA-O 3.34Å; V193-V241 HydrophobicContact CG1-CG2 3.92Å; V193-I280 HydrophobicContact CB-CD1 4.42Å; V193-I280 HydrophobicContact CG1-CD1 3.69Å; V193-I280 HydrophobicContact CG1-CG1 3.92Å; V193-I280 HydrophobicContact CG2-CD1 3.95Å; V193-I280 HydrophobicContact CG2-CG1 3.76Å; V193-I280 HydrophobicContact CG2-CG2 4Å
194T98.8Very high96.1Very high0 Ų029.6 Ų29.60%016%0.156CC..EExtended strand (participates in β ladder)trans-114.8113.7178.5-66.90000109.3A196 V217 H221 T239 L240 V241T194-A196 PolarHBondContact O-N 3.29Å; T194-V217 HydrophobicContact CG2-CG1 4.21Å; T194-V217 HydrophobicContact CG2-CG2 3.78Å; T194-H221 WeakPolarHBondContact CB-ND1 3.33Å; T194-H221 HydrophobicContact CG2-CB 4.29Å; T194-H221 PolarHBondContact OG1-ND1 3.23Å; T194-T239 PolarHBondContact N-O 3.05Å; T194-L240 HydrophobicContact CG2-CD1 3.83Å; T194-V241 PolarHBondContact O-N 3.08Å
195V98.5Very high95.6Very high6 Ų631.5 Ų31.54%0.03617%0.172CC..EExtended strand (participates in β ladder)trans-89.193.8173.3-169.40000109.2L48 F52 V143 N144 N145 K214 V241 P243L48-V195 HydrophobicContact CD1-CG1 4.32Å; F52-V195 HydrophobicContact CE2-CG2 3.88Å; F52-V195 HydrophobicContact CZ-CG2 4.25Å; V143-V195 HydrophobicContact CG1-CG2 4.27Å; N144-V195 PolarHBondContact O-N 2.85Å; N145-V195 HydrophobicContact CB-CB 4.21Å; N145-V195 HydrophobicContact CB-CG2 3.76Å; V195-K214 PolarHBondContact O-NZ 3.43Å; V195-V241 HydrophobicContact CG2-CB 4.45Å; V195-P243 HydrophobicContact CG1-CG 4.49Å
196A97.2Very high95.1Very high5 Ų528.9 Ų28.94%0.04116%0.158CC..  trans-85.7-133.517500000109.8T194 V217 V218 L240 V241T194-A196 PolarHBondContact O-N 3.29Å; A196-V217 HydrophobicContact CB-CG1 3.71Å; A196-V218 HydrophobicContact CB-CG2 3.9Å; A196-L240 HydrophobicContact CB-CD1 3.67Å; A196-V241 PolarHBondContact N-O 3.21Å
197S95.5Very high94.8Very high8 Ų821.4 Ų21.46%0.05612%0.123CC..  trans-159.7159.7173.2-178.90000107.6L199 G200S197-L199 PolarHBondContact O-N 3.14Å; S197-L199 PolarHBondContact OG-N 3.41Å; S197-L199 VanDerWaalsContact OG-N 3.08Å; S197-G200 PolarHBondContact O-N 3.42Å
198S93.8Very high94.6Very high2 Ų220.2 Ų20.21%0.01412%0.116CC..G310 helixtrans-54.8-30.2160.158.70000111.7G200 L201 F202 P243 Y244S198-G200 PolarHBondContact O-N 3Å; S198-G200 VanDerWaalsContact O-N 3.14Å; S198-L201 PolarHBondContact O-N 3.28Å; S198-F202 WeakPolarHBondContact O-CD1 3.43Å; S198-F202 PolarHBondContact O-N 3.35Å; S198-F202 VanDerWaalsContact O-N 3.13Å; S198-P243 WeakPolarHBondContact CB-O 3.5Å; S198-P243 PolarHBondContact N-O 3.24Å; S198-P243 PolarHBondContact OG-O 3.48Å; S198-Y244 WeakPolarHBondContact OG-CA 3.25Å
199L92.6Very high94.5Very high20 Ų2018 Ų1811%0.10510%0.104CC..G310 helixtrans-69.6-0.5171.5-64.8-177.1000114.5S197 F202 T204 V207 Y210 F215S197-L199 PolarHBondContact O-N 3.14Å; S197-L199 PolarHBondContact OG-N 3.41Å; S197-L199 VanDerWaalsContact OG-N 3.08Å; L199-F202 CarbonylContact C-O 3.51Å; L199-F202 WeakPolarHBondContact CA-O 3.48Å; L199-F202 HydrophobicContact CD2-CD2 4.16Å; L199-F202 HydrophobicContact CD2-CE2 3.79Å; L199-T204 HydrophobicContact CD1-CG2 4.26Å; L199-T204 HydrophobicContact CD2-CG2 3.85Å; L199-V207 HydrophobicContact CD1-CG2 4.34Å; L199-Y210 HydrophobicContact CB-CD1 4.24Å; L199-Y210 HydrophobicContact CB-CE1 4.05Å; L199-Y210 HydrophobicContact CD1-CD1 3.93Å; L199-Y210 HydrophobicContact CD1-CE1 3.95Å; L199-F215 WeakPolarHBondContact O-CD2 3.32Å; L199-F215 WeakPolarHBondContact O-CE2 3.41Å
200G93.4Very high94.3Very high1 Ų114.4 Ų14.41%0.019%0.087CC..G310 helixtrans-93.3-6.6166.400000113.8S197 S198 K214 F215S197-G200 PolarHBondContact O-N 3.42Å; S198-G200 PolarHBondContact O-N 3Å; S198-G200 VanDerWaalsContact O-N 3.14Å; G200-K214 VanDerWaalsContact CA-C 3.44Å; G200-K214 WeakPolarHBondContact CA-O 3.46Å; G200-F215 WeakPolarHBondContact O-CD1 3.37Å; G200-F215 WeakPolarHBondContact O-CG 3.36Å
201L94Very high94.2Very high16 Ų1614.5 Ų14.58%0.0849%0.086CC..THydrogen-bonded Turntrans-111.7-36.2-179.4-54.2174.8000111.5S198 F215 V218 C242 M286 T297 K300S198-L201 PolarHBondContact O-N 3.28Å; L201-F215 WeakPolarHBondContact O-CZ 3.24Å; L201-V218 HydrophobicContact CD2-CG1 4.01Å; L201-V218 HydrophobicContact CD2-CG2 4.18Å; L201-C242 HydrophobicContact CD1-CB 4.04Å; L201-M286 HydrophobicContact CD1-CE 3.27Å; L201-M286 HydrophobicContact CD2-CE 3.61Å; L201-M286 HydrophobicContact CG-CE 4.06Å; L201-T297 HydrophobicContact CB-CG2 3.99Å; L201-T297 WeakPolarHBondContact CB-OG1 3.49Å; L201-K300 PolarHBondContact O-NZ 3.18Å
202F90.5Very high94.1Very high21 Ų2116.9 Ų16.99%0.09211%0.107CC..SBendtrans-130.3165.1167.463.2-94.5000108.8S198 L199 F215 M293 V296 K300S198-F202 WeakPolarHBondContact O-CD1 3.43Å; S198-F202 PolarHBondContact O-N 3.35Å; S198-F202 VanDerWaalsContact O-N 3.13Å; L199-F202 CarbonylContact C-O 3.51Å; L199-F202 WeakPolarHBondContact CA-O 3.48Å; L199-F202 HydrophobicContact CD2-CD2 4.16Å; L199-F202 HydrophobicContact CD2-CE2 3.79Å; F202-F215 WeakPolarHBondContact O-CE2 3.42Å; F202-M293 HydrophobicContact CE1-SD 3.89Å; F202-M293 HydrophobicContact CZ-SD 4.03Å; F202-V296 HydrophobicContact CD1-CG1 4.03Å; F202-V296 HydrophobicContact CE1-CG1 4.12Å; F202-V296 HydrophobicContact CG-CG1 4.49Å; F202-K300 HydrophobicContact CB-CD 3.78Å
203S91Very high94.1Very high59 Ų5916.9 Ų16.941%0.41311%0.107SC..  trans-114.9168.2-176.953.20000111.4Y312S203-Y312 WeakPolarHBondContact O-CE1 3.42Å; S203-Y312 VanDerWaalsContact O-CZ 3.28Å; S203-Y312 PolarHBondContact O-OH 3.02Å
204T89.7Confident94.1Very high15 Ų1517.1 Ų17.19%0.09211%0.108CC..  trans-141.4163.7165.8-1670000110.6L199 V207 A317 M321L199-T204 HydrophobicContact CD1-CG2 4.26Å; L199-T204 HydrophobicContact CD2-CG2 3.85Å; T204-V207 HydrophobicContact CG2-CG2 3.56Å; T204-A317 PolarHBondContact OG1-O 3.45Å; T204-M321 HydrophobicContact CG2-CG 3.9Å
205A88.3Confident94Very high41 Ų4120.7 Ų20.734%0.33912%0.123SC..THydrogen-bonded Turntrans-76.4149-17800000112.4V207A205-V207 VanDerWaalsContact C-N 3.35Å
206G87.2Confident94Very high1 Ų121.9 Ų21.91%0.0114%0.136CC..THydrogen-bonded Turntrans81.58.7174.400000115.3E208 I325G206-E208 PolarHBondContact N-OE1 2.96Å; G206-I325 WeakPolarHBondContact O-CD1 3.43Å
207V91.8Very high94.1Very high0 Ų021.6 Ų21.60%013%0.134CC..  trans-144.346174.2-73.30000110V149 L199 T204 A205 D209 Y210 C211 M321V149-V207 HydrophobicContact CG2-CG1 4.4Å; L199-V207 HydrophobicContact CD1-CG2 4.34Å; T204-V207 HydrophobicContact CG2-CG2 3.56Å; A205-V207 VanDerWaalsContact C-N 3.35Å; V207-D209 PolarHBondContact O-N 2.84Å; V207-Y210 PolarHBondContact O-N 3.05Å; V207-C211 PolarHBondContact O-N 2.85Å; V207-C211 PolarHBondContact O-SG 3.37Å; V207-M321 HydrophobicContact CG1-CB 4.42Å; V207-M321 HydrophobicContact CG1-CE 3.44Å; V207-M321 VanDerWaalsContact CG1-CE 3.44Å; V207-M321 HydrophobicContact CG1-CG 4.03Å; V207-M321 HydrophobicContact CG1-SD 4.43Å; V207-M321 HydrophobicContact CG2-CG 3.92Å
208E94Very high94.2Very high77 Ų7721.7 Ų21.736%0.3614%0.135SC..Hα-helixtrans-59.5-43.2-174.6-6775-165.100111.9G206 C211 A212G206-E208 PolarHBondContact N-OE1 2.96Å; E208-C211 PolarHBondContact O-N 2.91Å; E208-A212 VanDerWaalsContact O-CB 3.26Å; E208-A212 WeakPolarHBondContact O-CB 3.45Å; E208-A212 PolarHBondContact O-N 2.86Å
209D94.8Very high94.4Very high14 Ų1423.4 Ų23.48%0.07515%0.153CC..Hα-helixtrans-61.8-45.7176.467.1-35.9000112S150 I162 T165 V207 A212 S213S150-D209 WeakPolarHBondContact CB-OD2 3.41Å; S150-D209 PolarHBondContact OG-OD1 3.39Å; S150-D209 PolarHBondContact OG-OD2 3.25Å; I162-D209 HydrophobicContact CG2-CB 4.02Å; T165-D209 VanDerWaalsContact CB-OD2 3.25Å; T165-D209 WeakPolarHBondContact CB-OD2 3.1Å; T165-D209 HydrophobicContact CG2-CB 4.26Å; T165-D209 WeakPolarHBondContact CG2-OD2 3.37Å; T165-D209 PolarHBondContact OG1-OD2 3.5Å; V207-D209 PolarHBondContact O-N 2.84Å; D209-A212 PolarHBondContact O-N 2.71Å; D209-S213 WeakPolarHBondContact O-CB 3.45Å; D209-S213 PolarHBondContact O-N 3.04Å; D209-S213 PolarHBondContact O-OG 2.95Å
210Y95.1Very high94.7Very high11 Ų1123.7 Ų23.74%0.04315%0.153CC..Hα-helixtrans-64.8-47.3177.9-176.1-90000110.9V148 V149 N169 L199 V207 S213 K214 M250 F251V148-Y210 WeakPolarHBondContact O-CD2 3.34Å; V149-Y210 HydrophobicContact CB-CD2 4Å; V149-Y210 HydrophobicContact CG2-CD2 4.23Å; V149-Y210 HydrophobicContact CG2-CG 4.46Å; N169-Y210 WeakPolarHBondContact ND2-CD2 3.29Å; L199-Y210 HydrophobicContact CB-CD1 4.24Å; L199-Y210 HydrophobicContact CB-CE1 4.05Å; L199-Y210 HydrophobicContact CD1-CD1 3.93Å; L199-Y210 HydrophobicContact CD1-CE1 3.95Å; V207-Y210 PolarHBondContact O-N 3.05Å; Y210-S213 PolarHBondContact O-N 3.31Å; Y210-S213 PolarHBondContact O-OG 3.2Å; Y210-K214 HydrophobicContact CD1-CG 4.12Å; Y210-K214 HydrophobicContact CE1-CG 3.66Å; Y210-K214 HydrophobicContact CE2-CG 4.31Å; Y210-K214 WeakPolarHBondContact O-CG 3.39Å; Y210-K214 PolarHBondContact O-N 3.16Å; Y210-K214 WeakPolarHBondContact OH-CE 3.4Å; Y210-M250 HydrophobicContact CE2-SD 4.45Å; Y210-F251 HydrophobicContact CD1-CZ 4.21Å; Y210-F251 HydrophobicContact CD2-CZ 4.3Å; Y210-F251 AromaticContact CE1-CZ 3.76Å; Y210-F251 HydrophobicContact CE1-CZ 3.76Å; Y210-F251 AromaticContact CE2-CZ 3.86Å; Y210-F251 HydrophobicContact CE2-CZ 3.86Å; Y210-F251 HydrophobicContact CG-CZ 4.47Å; Y210-F251 AromaticContact CZ-CZ 3.57Å
211C95.7Very high95Very high6 Ų623.9 Ų23.94%0.04115%0.153CC..Hα-helixtrans-58.6-51.2176.1-67.20000110.3V207 E208 S213 K214 F215V207-C211 PolarHBondContact O-N 2.85Å; V207-C211 PolarHBondContact O-SG 3.37Å; E208-C211 PolarHBondContact O-N 2.91Å; C211-S213 VanDerWaalsContact C-N 3.3Å; C211-S213 PolarHBondContact O-N 2.88Å; C211-K214 PolarHBondContact O-N 3.21Å; C211-K214 VanDerWaalsContact O-N 3.11Å; C211-F215 WeakPolarHBondContact O-CD2 3.39Å; C211-F215 PolarHBondContact O-N 3.24Å
212A97.4Very high95.2Very high52 Ų5227.9 Ų27.943%0.4317%0.172SC..Hα-helixtrans-54.9-46177.900000111.7M166 E208 D209 K214 F215 G216M166-A212 HydrophobicContact SD-CB 4.34Å; E208-A212 VanDerWaalsContact O-CB 3.26Å; E208-A212 WeakPolarHBondContact O-CB 3.45Å; E208-A212 PolarHBondContact O-N 2.86Å; D209-A212 PolarHBondContact O-N 2.71Å; A212-K214 PolarHBondContact O-N 3.2Å; A212-F215 PolarHBondContact O-N 3.38Å; A212-G216 PolarHBondContact O-N 3.19Å
213S98Very high95.6Very high0 Ų030.6 Ų30.60%019%0.194CC..Hα-helixtrans-62-40.4178.278.80000112.9N169 D209 Y210 C211 G216 V217N169-S213 VanDerWaalsContact CB-OG 3.23Å; N169-S213 WeakPolarHBondContact CB-OG 3.38Å; N169-S213 PolarHBondContact ND2-OG 3.11Å; N169-S213 VanDerWaalsContact ND2-OG 3.15Å; D209-S213 WeakPolarHBondContact O-CB 3.45Å; D209-S213 PolarHBondContact O-N 3.04Å; D209-S213 PolarHBondContact O-OG 2.95Å; Y210-S213 PolarHBondContact O-N 3.31Å; Y210-S213 PolarHBondContact O-OG 3.2Å; C211-S213 VanDerWaalsContact C-N 3.3Å; C211-S213 PolarHBondContact O-N 2.88Å; S213-G216 PolarHBondContact O-N 3.05Å; S213-V217 PolarHBondContact O-N 3.12Å
214K98Very high95.9Very high5 Ų528.2 Ų28.22%0.02218%0.176CC..Hα-helixtrans-78.9-28.5-179.3-67.4-56.5-170.9-1780112.9V195 G200 Y210 C211 A212 V217 V218V195-K214 PolarHBondContact O-NZ 3.43Å; G200-K214 VanDerWaalsContact CA-C 3.44Å; G200-K214 WeakPolarHBondContact CA-O 3.46Å; Y210-K214 HydrophobicContact CD1-CG 4.12Å; Y210-K214 HydrophobicContact CE1-CG 3.66Å; Y210-K214 HydrophobicContact CE2-CG 4.31Å; Y210-K214 WeakPolarHBondContact O-CG 3.39Å; Y210-K214 PolarHBondContact O-N 3.16Å; Y210-K214 WeakPolarHBondContact OH-CE 3.4Å; C211-K214 PolarHBondContact O-N 3.21Å; C211-K214 VanDerWaalsContact O-N 3.11Å; A212-K214 PolarHBondContact O-N 3.2Å; K214-V217 HydrophobicContact CD-CG1 4.14Å; K214-V217 WeakPolarHBondContact O-CG1 3.5Å; K214-V218 VanDerWaalsContact O-CG2 3.25Å; K214-V218 WeakPolarHBondContact O-CG2 3.35Å; K214-V218 PolarHBondContact O-N 2.92Å
215F98.1Very high96.3Very high75 Ų7528.6 Ų28.633%0.32918%0.179SC..Hα-helixtrans-66.7-43.8166.7-91.3-95.8000111L199 G200 L201 F202 C211 A212 V217 V218 G219L199-F215 WeakPolarHBondContact O-CD2 3.32Å; L199-F215 WeakPolarHBondContact O-CE2 3.41Å; G200-F215 WeakPolarHBondContact O-CD1 3.37Å; G200-F215 WeakPolarHBondContact O-CG 3.36Å; L201-F215 WeakPolarHBondContact O-CZ 3.24Å; F202-F215 WeakPolarHBondContact O-CE2 3.42Å; C211-F215 WeakPolarHBondContact O-CD2 3.39Å; C211-F215 PolarHBondContact O-N 3.24Å; A212-F215 PolarHBondContact O-N 3.38Å; F215-V217 VanDerWaalsContact C-N 3.31Å; F215-V217 PolarHBondContact O-N 3.4Å; F215-V218 PolarHBondContact O-N 2.84Å; F215-G219 PolarHBondContact O-N 3.4Å
216G98.5Very high96.8Very high30 Ų3033.3 Ų33.331%0.30919%0.194SC..Hα-helixtrans-57.4-43.3176.600000112.4A212 S213 G219 F220A212-G216 PolarHBondContact O-N 3.19Å; S213-G216 PolarHBondContact O-N 3.05Å; G216-G219 PolarHBondContact O-N 2.96Å; G216-F220 WeakPolarHBondContact O-CB 3.45Å; G216-F220 PolarHBondContact O-N 2.59Å
217V98.6Very high97.3Very high0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-73.1-29.5179.889.20000113.7H173 T194 A196 S213 K214 F215 F220 H221H173-V217 HydrophobicContact CB-CG2 3.85Å; H173-V217 WeakPolarHBondContact ND1-CG2 3.12Å; T194-V217 HydrophobicContact CG2-CG1 4.21Å; T194-V217 HydrophobicContact CG2-CG2 3.78Å; A196-V217 HydrophobicContact CB-CG1 3.71Å; S213-V217 PolarHBondContact O-N 3.12Å; K214-V217 HydrophobicContact CD-CG1 4.14Å; K214-V217 WeakPolarHBondContact O-CG1 3.5Å; F215-V217 VanDerWaalsContact C-N 3.31Å; F215-V217 PolarHBondContact O-N 3.4Å; V217-F220 HydrophobicContact CG2-CD1 4.38Å; V217-H221 WeakPolarHBondContact O-CB 3.42Å; V217-H221 PolarHBondContact O-N 2.97Å
218V98.5Very high97.6Very high10 Ų1039.7 Ų39.76%0.06122%0.224CC..Hα-helixtrans-65.8-49.5170.9168.90000109.9A196 L201 K214 F215 F220 H221 E222 L240A196-V218 HydrophobicContact CB-CG2 3.9Å; L201-V218 HydrophobicContact CD2-CG1 4.01Å; L201-V218 HydrophobicContact CD2-CG2 4.18Å; K214-V218 VanDerWaalsContact O-CG2 3.25Å; K214-V218 WeakPolarHBondContact O-CG2 3.35Å; K214-V218 PolarHBondContact O-N 2.92Å; F215-V218 PolarHBondContact O-N 2.84Å; V218-F220 VanDerWaalsContact C-N 3.33Å; V218-F220 PolarHBondContact O-N 3.42Å; V218-H221 WeakPolarHBondContact O-CB 3.38Å; V218-H221 PolarHBondContact O-N 3.14Å; V218-H221 VanDerWaalsContact O-N 3.11Å; V218-E222 HydrophobicContact CG1-CG 4.48Å; V218-E222 WeakPolarHBondContact O-CG 3.32Å; V218-E222 PolarHBondContact O-N 3.25Å; V218-L240 HydrophobicContact CG1-CD2 4.12Å; V218-L240 HydrophobicContact CG2-CD1 4.27Å; V218-L240 HydrophobicContact CG2-CD2 4.17Å
219G98.3Very high97.8Very high38 Ų3842 Ų4239%0.39223%0.233SC..Hα-helixtrans-60.3-41.4177.200000112.7F215 G216 S223F215-G219 PolarHBondContact O-N 3.4Å; G216-G219 PolarHBondContact O-N 2.96Å; G219-S223 VanDerWaalsContact O-CB 3.27Å; G219-S223 WeakPolarHBondContact O-CB 3.42Å; G219-S223 PolarHBondContact O-N 3.32Å
220F98.6Very high97.9Very high25 Ų2545.4 Ų45.411%0.1126%0.263CS..Hα-helixtrans-56.8-49.9171.1163.9-105.1000111.9H173 F174 T177 G216 V217 V218 E222 S223 L224H173-F220 HydrophobicContact CB-CD1 4.07Å; H173-F220 HydrophobicContact CB-CE1 3.86Å; F174-F220 AromaticContact CD1-CD2 3.61Å; F174-F220 HydrophobicContact CD1-CD2 3.61Å; F174-F220 AromaticContact CD1-CE2 3.76Å; F174-F220 HydrophobicContact CD1-CE2 3.76Å; F174-F220 HydrophobicContact CD2-CD2 4.44Å; F174-F220 HydrophobicContact CE1-CB 4.36Å; F174-F220 AromaticContact CE1-CD2 3.37Å; F174-F220 HydrophobicContact CE1-CD2 3.37Å; F174-F220 HydrophobicContact CE1-CE2 4.01Å; F174-F220 HydrophobicContact CE1-CG 4.15Å; F174-F220 HydrophobicContact CE2-CB 4.26Å; F174-F220 HydrophobicContact CE2-CD2 4.24Å; F174-F220 HydrophobicContact CE2-CG 4.29Å; F174-F220 HydrophobicContact CG-CD2 4.16Å; F174-F220 HydrophobicContact CG-CE2 4.2Å; F174-F220 HydrophobicContact CZ-CB 3.87Å; F174-F220 AromaticContact CZ-CD2 3.72Å; F174-F220 HydrophobicContact CZ-CD2 3.72Å; F174-F220 HydrophobicContact CZ-CG 4.03Å; T177-F220 HydrophobicContact CG2-CZ 4.07Å; G216-F220 WeakPolarHBondContact O-CB 3.45Å; G216-F220 PolarHBondContact O-N 2.59Å; V217-F220 HydrophobicContact CG2-CD1 4.38Å; V218-F220 VanDerWaalsContact C-N 3.33Å; V218-F220 PolarHBondContact O-N 3.42Å; F220-E222 PolarHBondContact O-N 3.03Å; F220-S223 PolarHBondContact O-N 2.93Å; F220-L224 HydrophobicContact CE1-CD2 4.38Å; F220-L224 HydrophobicContact CZ-CD2 3.94Å; F220-L224 WeakPolarHBondContact O-CB 3.2Å; F220-L224 PolarHBondContact O-N 2.96Å
221H98.8Very high98Very high5 Ų547.4 Ų47.42%0.02328%0.282CS..Hα-helixtrans-62.7-44.6-177.7-174.293.4000112.5T194 V217 V218 S225 T239 L240T194-H221 WeakPolarHBondContact CB-ND1 3.33Å; T194-H221 HydrophobicContact CG2-CB 4.29Å; T194-H221 PolarHBondContact OG1-ND1 3.23Å; V217-H221 WeakPolarHBondContact O-CB 3.42Å; V217-H221 PolarHBondContact O-N 2.97Å; V218-H221 WeakPolarHBondContact O-CB 3.38Å; V218-H221 PolarHBondContact O-N 3.14Å; V218-H221 VanDerWaalsContact O-N 3.11Å; H221-S225 WeakPolarHBondContact O-CB 3.33Å; H221-S225 PolarHBondContact O-N 3.06Å; H221-S225 PolarHBondContact O-OG 2.86Å; H221-T239 PolarHBondContact CE1-O 2.9Å; H221-L240 HydrophobicContact CB-CD1 4.24Å; H221-L240 PolarHBondContact CE1-N 3.44Å; H221-L240 PolarHBondContact NE2-N 3.3Å
222E98.2Very high98.1Very high100 Ų10054.7 Ų54.747%0.46732%0.315SS..Hα-helixtrans-63.1-48.8177.2-71.6-179.5178.100110.8V218 F220 L224 S225 H226V218-E222 HydrophobicContact CG1-CG 4.48Å; V218-E222 WeakPolarHBondContact O-CG 3.32Å; V218-E222 PolarHBondContact O-N 3.25Å; F220-E222 PolarHBondContact O-N 3.03Å; E222-L224 PolarHBondContact O-N 3.49Å; E222-S225 WeakPolarHBondContact O-CB 3.45Å; E222-S225 PolarHBondContact O-N 3.28Å; E222-H226 PolarHBondContact O-CD2 3.08Å; E222-H226 VanDerWaalsContact O-CD2 3.23Å; E222-H226 PolarHBondContact O-N 2.88Å
223S98.6Very high98Very high79 Ų7955 Ų5555%0.55231%0.307SS*.Hα-helixtrans-57.4-48177.9-1730000111.9G219 F220 S225 H226 E227G219-S223 VanDerWaalsContact O-CB 3.27Å; G219-S223 WeakPolarHBondContact O-CB 3.42Å; G219-S223 PolarHBondContact O-N 3.32Å; F220-S223 PolarHBondContact O-N 2.93Å; S223-S225 VanDerWaalsContact C-N 3.33Å; S223-S225 PolarHBondContact O-N 3.41Å; S223-H226 PolarHBondContact O-N 3.19Å; S223-E227 PolarHBondContact O-N 2.98Å
224L98.6Very high97.9Very high8 Ų859.2 Ų59.24%0.04233%0.329CS..Hα-helixtrans-62-41.8177.7177.164.9000111.7T177 L181 I192 F220 E222 H226 E227 L228T177-L224 HydrophobicContact CG2-CD2 3.76Å; L181-L224 HydrophobicContact CD2-CD1 3.83Å; I192-L224 HydrophobicContact CD1-CD2 3.81Å; I192-L224 HydrophobicContact CG2-CD2 4.47Å; F220-L224 HydrophobicContact CE1-CD2 4.38Å; F220-L224 HydrophobicContact CZ-CD2 3.94Å; F220-L224 WeakPolarHBondContact O-CB 3.2Å; F220-L224 PolarHBondContact O-N 2.96Å; E222-L224 PolarHBondContact O-N 3.49Å; L224-H226 VanDerWaalsContact C-N 3.3Å; L224-H226 PolarHBondContact O-N 2.6Å; L224-E227 PolarHBondContact O-N 2.97Å; L224-L228 HydrophobicContact CD1-CD1 4.44Å; L224-L228 HydrophobicContact CD1-CG 4.26Å; L224-L228 HydrophobicContact CG-CD1 4.21Å; L224-L228 HydrophobicContact CG-CG 4.45Å; L224-L228 VanDerWaalsContact O-CG 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.15Å; L224-L228 PolarHBondContact O-N 3.05Å
225S98.3Very high97.9Very high23 Ų2360 Ų6016%0.16134%0.339CS..Hα-helixtrans-62-40.2178.3-60.10000111.7H221 E222 S223 K229 T238H221-S225 WeakPolarHBondContact O-CB 3.33Å; H221-S225 PolarHBondContact O-N 3.06Å; H221-S225 PolarHBondContact O-OG 2.86Å; E222-S225 WeakPolarHBondContact O-CB 3.45Å; E222-S225 PolarHBondContact O-N 3.28Å; S223-S225 VanDerWaalsContact C-N 3.33Å; S223-S225 PolarHBondContact O-N 3.41Å; S225-K229 VanDerWaalsContact O-CG 3.32Å; S225-K229 WeakPolarHBondContact O-CG 3.47Å; S225-K229 PolarHBondContact O-N 2.97Å; S225-T238 WeakPolarHBondContact OG-CB 3.08Å; S225-T238 PolarHBondContact OG-OG1 3.44Å
226H98Very high97.9Very high141 Ų14156.8 Ų56.865%0.65333%0.325SS*.Hα-helixtrans-66.8-41.9174.3-82.6-73.4000112.5E222 S223 L224 K229 A230E222-H226 PolarHBondContact O-CD2 3.08Å; E222-H226 VanDerWaalsContact O-CD2 3.23Å; E222-H226 PolarHBondContact O-N 2.88Å; S223-H226 PolarHBondContact O-N 3.19Å; L224-H226 VanDerWaalsContact C-N 3.3Å; L224-H226 PolarHBondContact O-N 2.6Å; H226-K229 PolarHBondContact O-N 3.49Å; H226-A230 WeakPolarHBondContact O-CB 3.45Å; H226-A230 PolarHBondContact O-N 3.48Å
227E98.1Very high97.9Very high127 Ų12758.6 Ų58.659%0.59333%0.325SS*.Hα-helixtrans-61.8-45.7177.2-176.1173.1-150.600111.8S223 L224 K229 A230 A231S223-E227 PolarHBondContact O-N 2.98Å; L224-E227 PolarHBondContact O-N 2.97Å; E227-K229 VanDerWaalsContact C-N 3.27Å; E227-K229 PolarHBondContact O-N 2.96Å; E227-A230 PolarHBondContact O-N 2.87Å; E227-A231 WeakPolarHBondContact O-CB 3.37Å; E227-A231 PolarHBondContact O-N 3.36Å
228L98.4Very high97.9Very high8 Ų859.6 Ų59.64%0.04233%0.331CS..Hα-helixtrans-60-37.4175.7-69.8175.7000112.4L181 L185 L224 E232 K233 I236 T238L181-L228 HydrophobicContact CD1-CD2 4.09Å; L185-L228 HydrophobicContact CD2-CD2 3.77Å; L224-L228 HydrophobicContact CD1-CD1 4.44Å; L224-L228 HydrophobicContact CD1-CG 4.26Å; L224-L228 HydrophobicContact CG-CD1 4.21Å; L224-L228 HydrophobicContact CG-CG 4.45Å; L224-L228 VanDerWaalsContact O-CG 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.15Å; L224-L228 PolarHBondContact O-N 3.05Å; L228-E232 PolarHBondContact O-N 2.92Å; L228-K233 HydrophobicContact CD2-CB 4.32Å; L228-K233 PolarHBondContact O-N 3.34Å; L228-I236 HydrophobicContact CD1-CB 4.29Å; L228-I236 HydrophobicContact CD1-CG2 3.78Å; L228-I236 HydrophobicContact CD2-CD1 4.05Å; L228-I236 HydrophobicContact CD2-CG2 4.44Å; L228-T238 HydrophobicContact CD1-CG2 3.77Å
229K96.9Very high97.9Very high125 Ų12559.1 Ų59.154%0.54333%0.328SS..Hα-helixtrans-70.8-40.5175.7-72.5-69.2173.2-172.40112.8S225 H226 E227 A231 E232 D234S225-K229 VanDerWaalsContact O-CG 3.32Å; S225-K229 WeakPolarHBondContact O-CG 3.47Å; S225-K229 PolarHBondContact O-N 2.97Å; H226-K229 PolarHBondContact O-N 3.49Å; E227-K229 VanDerWaalsContact C-N 3.27Å; E227-K229 PolarHBondContact O-N 2.96Å; K229-A231 VanDerWaalsContact C-N 3.26Å; K229-A231 PolarHBondContact O-N 3.3Å; K229-E232 PolarHBondContact O-N 3.41Å; K229-E232 VanDerWaalsContact O-N 3.15Å; K229-D234 IonicContact NZ-OD1 2.75Å; K229-D234 PolarHBondContact NZ-OD1 3.29Å
230A97.4Very high97.9Very high86 Ų8657.4 Ų57.471%0.71131%0.31SS*.Hα-helixtrans-65-32.3175.200000112.2H226 E227 E232H226-A230 WeakPolarHBondContact O-CB 3.45Å; H226-A230 PolarHBondContact O-N 3.48Å; E227-A230 PolarHBondContact O-N 2.87Å; A230-E232 VanDerWaalsContact C-N 3.26Å; A230-E232 PolarHBondContact O-N 3Å
231A97.2Very high97.9Very high53 Ų5356.2 Ų56.244%0.43831%0.305SS..THydrogen-bonded Turntrans-83.16.6174.700000114.2E227 K229 K233E227-A231 WeakPolarHBondContact O-CB 3.37Å; E227-A231 PolarHBondContact O-N 3.36Å; K229-A231 VanDerWaalsContact C-N 3.26Å; K229-A231 PolarHBondContact O-N 3.3Å; A231-K233 HydrophobicContact CB-CG 4.07Å; A231-K233 PolarHBondContact O-N 3.47Å; A231-K233 VanDerWaalsContact O-N 3.15Å
232E96.7Very high97.9Very high159 Ų15956 Ų5674%0.74330%0.304SS*.THydrogen-bonded Turntrans56.728.3-179.8-57.1-179.4-172.700113.9L228 K229 A230 D234L228-E232 PolarHBondContact O-N 2.92Å; K229-E232 PolarHBondContact O-N 3.41Å; K229-E232 VanDerWaalsContact O-N 3.15Å; A230-E232 VanDerWaalsContact C-N 3.26Å; A230-E232 PolarHBondContact O-N 3Å; E232-D234 PolarHBondContact O-N 3.28Å
233K97.4Very high97.8Very high59 Ų5951.5 Ų51.526%0.25728%0.283SS..  trans-86.160.4179.3-64.2-66.3-178.5177.60111.8L185 N188 L228 A231 G235 I236L185-K233 HydrophobicContact CD2-CB 4.49Å; L185-K233 HydrophobicContact CD2-CD 4.25Å; L185-K233 HydrophobicContact CD2-CG 3.78Å; L185-K233 WeakPolarHBondContact O-CE 3.37Å; L185-K233 PolarHBondContact O-NZ 3.19Å; N188-K233 HydrophobicContact CB-CD 4.35Å; N188-K233 VanDerWaalsContact OD1-CA 3.27Å; N188-K233 WeakPolarHBondContact OD1-CA 3.49Å; L228-K233 HydrophobicContact CD2-CB 4.32Å; L228-K233 PolarHBondContact O-N 3.34Å; A231-K233 HydrophobicContact CB-CG 4.07Å; A231-K233 PolarHBondContact O-N 3.47Å; A231-K233 VanDerWaalsContact O-N 3.15Å; K233-G235 PolarHBondContact O-N 2.8Å; K233-G235 VanDerWaalsContact O-N 3.16Å; K233-I236 HydrophobicContact CB-CD1 4.07Å; K233-I236 HydrophobicContact CB-CG1 4.37Å; K233-I236 PolarHBondContact O-N 2.93Å; K233-I236 VanDerWaalsContact O-N 3.13Å
234D95.2Very high97.3Very high87 Ų8749.2 Ų49.247%0.46526%0.263SS..THydrogen-bonded Turntrans-65-18-174.3-82-37.3000115.1K229 E232 K237K229-D234 IonicContact NZ-OD1 2.75Å; K229-D234 PolarHBondContact NZ-OD1 3.29Å; E232-D234 PolarHBondContact O-N 3.28Å; D234-K237 PolarHBondContact O-NZ 2.97Å
235G97.5Very high96.7Very high23 Ų2349.9 Ų49.924%0.23727%0.266CS..THydrogen-bonded Turntrans-83.4-11.217700000114N188 G190 K233N188-G235 CarbonylContact O-C 3.58Å; N188-G235 VanDerWaalsContact O-CA 3.22Å; N188-G235 WeakPolarHBondContact O-CA 3.35Å; N188-G235 PolarHBondContact OD1-N 3.47Å; G190-G235 PolarHBondContact N-O 3.03Å; K233-G235 PolarHBondContact O-N 2.8Å; K233-G235 VanDerWaalsContact O-N 3.16Å
236I98.4Very high96Very high7 Ų749.4 Ų49.44%0.03626%0.262CS..EExtended strand (participates in β ladder)trans-92.9117.3171.8-51.3176.5000108.7L181 M184 L185 G190 L228 K233L181-I236 HydrophobicContact CD1-CD1 4.19Å; M184-I236 VanDerWaalsContact C-CD1 3.49Å; M184-I236 HydrophobicContact CB-CD1 3.95Å; M184-I236 HydrophobicContact CB-CG1 4.33Å; M184-I236 VanDerWaalsContact O-CD1 3.29Å; M184-I236 WeakPolarHBondContact O-CD1 3.22Å; L185-I236 HydrophobicContact CD2-CD1 3.74Å; L185-I236 HydrophobicContact CG-CD1 4.17Å; G190-I236 WeakPolarHBondContact O-CA 3.42Å; L228-I236 HydrophobicContact CD1-CB 4.29Å; L228-I236 HydrophobicContact CD1-CG2 3.78Å; L228-I236 HydrophobicContact CD2-CD1 4.05Å; L228-I236 HydrophobicContact CD2-CG2 4.44Å; K233-I236 HydrophobicContact CB-CD1 4.07Å; K233-I236 HydrophobicContact CB-CG1 4.37Å; K233-I236 PolarHBondContact O-N 2.93Å; K233-I236 VanDerWaalsContact O-N 3.13Å
237K98.4Very high95.2Very high67 Ų6748 Ų4829%0.29126%0.26SS..EExtended strand (participates in β ladder)trans-97.5154.8-179.8-51.7-56.8-174.1-169.30110.4G190 H191 I192 D234 D283G190-K237 PolarHBondContact O-N 2.92Å; H191-K237 CarbonylContact C-O 3.49Å; H191-K237 WeakPolarHBondContact CA-O 3.42Å; H191-K237 HydrophobicContact CB-CB 4.44Å; H191-K237 VanDerWaalsContact CD2-C 3.48Å; H191-K237 PolarHBondContact CD2-O 2.9Å; H191-K237 VanDerWaalsContact CD2-O 3.23Å; I192-K237 PolarHBondContact N-O 2.6Å; D234-K237 PolarHBondContact O-NZ 2.97Å; K237-D283 HydrophobicContact CD-CB 4.41Å; K237-D283 WeakPolarHBondContact CE-OD2 3.46Å; K237-D283 HydrophobicContact CG-CB 4.45Å
238T98.6Very high94.3Very high21 Ų2144.7 Ų44.713%0.12925%0.248CC..EExtended strand (participates in β ladder)trans-130.7137.6172.856.80000109.3I192 S225 L228I192-T238 HydrophobicContact CB-CG2 4.43Å; I192-T238 VanDerWaalsContact O-CA 3.31Å; I192-T238 WeakPolarHBondContact O-CA 3.21Å; S225-T238 WeakPolarHBondContact OG-CB 3.08Å; S225-T238 PolarHBondContact OG-OG1 3.44Å; L228-T238 HydrophobicContact CD1-CG2 3.77Å
239T98.7Very high93.2Very high0 Ų046.1 Ų46.10%027%0.265CS..EExtended strand (participates in β ladder)trans-132.4119.4173.1-64.90000110H191 I192 V193 T194 H221 V241 A279 I280 Q284H191-T239 PolarHBondContact CE1-OG1 3.46Å; H191-T239 WeakPolarHBondContact NE2-CB 3.5Å; H191-T239 PolarHBondContact NE2-N 3.22Å; H191-T239 PolarHBondContact NE2-OG1 3.49Å; I192-T239 PolarHBondContact O-N 3.38Å; V193-T239 WeakPolarHBondContact CA-O 3.34Å; T194-T239 PolarHBondContact N-O 3.05Å; H221-T239 PolarHBondContact CE1-O 2.9Å; T239-V241 HydrophobicContact CG2-CG2 4.06Å; T239-A279 HydrophobicContact CG2-CB 4.21Å; T239-I280 HydrophobicContact CG2-CG1 3.98Å; T239-Q284 WeakPolarHBondContact CG2-O 3.35Å; T239-Q284 PolarHBondContact OG1-O 2.83Å
240L98.7Very high92.4Very high2 Ų242.9 Ų42.91%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-90.7118.1171.5-177.760.2000110.3T194 A196 V218 H221 P285 M286 I287T194-L240 HydrophobicContact CG2-CD1 3.83Å; A196-L240 HydrophobicContact CB-CD1 3.67Å; V218-L240 HydrophobicContact CG1-CD2 4.12Å; V218-L240 HydrophobicContact CG2-CD1 4.27Å; V218-L240 HydrophobicContact CG2-CD2 4.17Å; H221-L240 HydrophobicContact CB-CD1 4.24Å; H221-L240 PolarHBondContact CE1-N 3.44Å; H221-L240 PolarHBondContact NE2-N 3.3Å; L240-P285 PolarHBondContact N-O 2.8Å; L240-M286 HydrophobicContact CB-CB 4.21Å; L240-M286 HydrophobicContact CB-CG 4.19Å; L240-M286 HydrophobicContact CD2-CE 4.39Å; L240-M286 HydrophobicContact CD2-CG 4.07Å; L240-M286 HydrophobicContact CD2-SD 4.2Å; L240-M286 HydrophobicContact CG-CG 4.31Å; L240-M286 CarbonylContact O-C 3.59Å; L240-M286 VanDerWaalsContact O-CA 3.29Å; L240-M286 WeakPolarHBondContact O-CA 3.18Å; L240-I287 PolarHBondContact O-N 3.41Å
241V98.6Very high91.5Very high1 Ų140 Ų401%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-102119.4176.7-173.70000108.9V193 T194 V195 A196 T239 P243 A276 I287V193-V241 HydrophobicContact CG1-CG2 3.92Å; T194-V241 PolarHBondContact O-N 3.08Å; V195-V241 HydrophobicContact CG2-CB 4.45Å; A196-V241 PolarHBondContact N-O 3.21Å; T239-V241 HydrophobicContact CG2-CG2 4.06Å; V241-P243 HydrophobicContact CG1-CG 4.05Å; V241-P243 WeakPolarHBondContact O-CD 3.34Å; V241-A276 HydrophobicContact CG1-CB 3.66Å; V241-A276 HydrophobicContact CG2-CB 4.06Å; V241-I287 HydrophobicContact CB-CG2 4.19Å; V241-I287 HydrophobicContact CG1-CG2 4.1Å; V241-I287 HydrophobicContact CG2-CG2 3.99Å
242C97.7Very high90.6Very high0 Ų046.5 Ų46.50%024%0.237CC..EExtended strand (participates in β ladder)trans-120.679.6-178.9-68.60000111.1L201 I287 C288 T289L201-C242 HydrophobicContact CD1-CB 4.04Å; C242-I287 PolarHBondContact N-O 3.49Å; C242-C288 WeakPolarHBondContact O-CA 3.42Å; C242-T289 PolarHBondContact O-N 3.02Å
243P96Very high89.6Confident6 Ų639.7 Ų39.74%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-67.9148.1174.3-19.734.9000112.2L48 V195 S198 V241 V246L48-P243 HydrophobicContact CD1-CG 4.32Å; V195-P243 HydrophobicContact CG1-CG 4.49Å; S198-P243 WeakPolarHBondContact CB-O 3.5Å; S198-P243 PolarHBondContact N-O 3.24Å; S198-P243 PolarHBondContact OG-O 3.48Å; V241-P243 HydrophobicContact CG1-CG 4.05Å; V241-P243 WeakPolarHBondContact O-CD 3.34Å; P243-V246 HydrophobicContact CB-CG2 3.53Å; P243-V246 HydrophobicContact CG-CG2 4.47Å
244Y89.7Confident88.7Confident30 Ų3037.8 Ų37.812%0.11820%0.204CC..  trans-70.4-161.1159.5-179.9-118000110.7S198 V246 I256 L264 T289 M293S198-Y244 WeakPolarHBondContact OG-CA 3.25Å; Y244-V246 WeakPolarHBondContact O-CG2 3.49Å; Y244-V246 PolarHBondContact O-N 3.23Å; Y244-V246 VanDerWaalsContact O-N 3.14Å; Y244-I256 VanDerWaalsContact OH-CG2 3.27Å; Y244-I256 WeakPolarHBondContact OH-CG2 3.27Å; Y244-L264 HydrophobicContact CD1-CD1 4.33Å; Y244-L264 HydrophobicContact CD1-CG 4.3Å; Y244-L264 HydrophobicContact CE1-CD1 4.41Å; Y244-L264 HydrophobicContact CE1-CD2 4.25Å; Y244-L264 HydrophobicContact CE1-CG 3.88Å; Y244-L264 HydrophobicContact CE2-CD2 4.49Å; Y244-T289 VanDerWaalsContact CB-O 3.24Å; Y244-T289 WeakPolarHBondContact CB-O 3.39Å; Y244-T289 PolarHBondContact N-O 2.76Å; Y244-M293 HydrophobicContact CD2-SD 3.97Å; Y244-M293 HydrophobicContact CG-SD 4.36Å
245L85.9Confident87.7Confident23 Ų2340.9 Ų40.912%0.1221%0.209CC..SBendtrans-56.2115.8168.9-176.963.1000109.8F251 C254 P266 L267L245-F251 HydrophobicContact CD1-CB 3.51Å; L245-F251 HydrophobicContact CD1-CD2 4.23Å; L245-F251 HydrophobicContact CD1-CG 4.09Å; L245-C254 HydrophobicContact CD1-CB 4.05Å; L245-C254 HydrophobicContact CD2-CB 4.35Å; L245-P266 HydrophobicContact CD2-CB 4.18Å; L245-P266 HydrophobicContact CD2-CG 3.97Å; L245-P266 HydrophobicContact CG-CB 4.28Å; L245-L267 PolarHBondContact O-N 3.37Å
246V81.8Confident86.9Confident13 Ų1340.8 Ų40.88%0.07920%0.203CC..BIsolated β-bridgetrans-107.8133175.4-167.40000109.4L48 P243 Y244 T248 P269 C272L48-V246 HydrophobicContact CD2-CG1 4.05Å; P243-V246 HydrophobicContact CB-CG2 3.53Å; P243-V246 HydrophobicContact CG-CG2 4.47Å; Y244-V246 WeakPolarHBondContact O-CG2 3.49Å; Y244-V246 PolarHBondContact O-N 3.23Å; Y244-V246 VanDerWaalsContact O-N 3.14Å; V246-T248 HydrophobicContact CB-CG2 4.31Å; V246-T248 HydrophobicContact CG1-CG2 3.78Å; V246-T248 PolarHBondContact O-N 3.41Å; V246-P269 HydrophobicContact CG1-CB 4.17Å; V246-P269 HydrophobicContact CG1-CG 3.96Å; V246-C272 HydrophobicContact CG1-CB 4.39Å; V246-C272 HydrophobicContact CG2-CB 4.46Å
247D82.9Confident86.2Confident112 Ų11245 Ų4560%0.59922%0.218SC*.SBendtrans-78.168.8179.2-168.917.6000112.3P266 L267 P269D247-P266 HydrophobicContact CB-CB 4.4Å; D247-L267 PolarHBondContact N-O 2.8Å; D247-P269 WeakPolarHBondContact O-CG 2.92Å
248T79Confident85.4Confident56 Ų5648.8 Ų48.834%0.34424%0.235SC..SBendtrans-105.30.6175.954.60000112.8L48 V246 M250 P269L48-T248 HydrophobicContact CD2-CG2 4.48Å; L48-T248 HydrophobicContact CG-CG2 4.31Å; V246-T248 HydrophobicContact CB-CG2 4.31Å; V246-T248 HydrophobicContact CG1-CG2 3.78Å; V246-T248 PolarHBondContact O-N 3.41Å; T248-M250 VanDerWaalsContact C-N 3.29Å; T248-M250 PolarHBondContact O-N 2.78Å; T248-P269 HydrophobicContact CG2-CB 4.18Å; T248-P269 HydrophobicContact CG2-CG 3.86Å
249G75.3Confident84.7Confident38 Ų3852.9 Ų52.939%0.39225%0.252SS..SBendtrans84.6-16-170.600000115.2F251 R252G249-F251 VanDerWaalsContact C-N 3.26Å; G249-F251 PolarHBondContact O-N 3.12Å; G249-R252 WeakPolarHBondContact O-CB 3.23Å; G249-R252 PolarHBondContact O-N 2.52Å
250M79.1Confident83.9Confident57 Ų5754.2 Ų54.228%0.28126%0.259SS..THydrogen-bonded Turntrans-56-40.6178.7-178.9177.1-74.400112.5G147 V149 Y210 T248 F324G147-M250 VanDerWaalsContact O-CE 3.26Å; G147-M250 WeakPolarHBondContact O-CE 3.48Å; V149-M250 HydrophobicContact CG1-CG 3.72Å; Y210-M250 HydrophobicContact CE2-SD 4.45Å; T248-M250 VanDerWaalsContact C-N 3.29Å; T248-M250 PolarHBondContact O-N 2.78Å; M250-F324 WeakPolarHBondContact O-CE2 3.31Å
251F80Confident83Confident25 Ų2557.6 Ų57.611%0.1128%0.275CS..THydrogen-bonded Turntrans-112.432.2-179.7-64.6-71.4000112.3V149 Y210 L245 G249 G253 C254 M321V149-F251 HydrophobicContact CB-CE1 4.49Å; V149-F251 HydrophobicContact CG2-CE1 4.16Å; Y210-F251 HydrophobicContact CD1-CZ 4.21Å; Y210-F251 HydrophobicContact CD2-CZ 4.3Å; Y210-F251 AromaticContact CE1-CZ 3.76Å; Y210-F251 HydrophobicContact CE1-CZ 3.76Å; Y210-F251 AromaticContact CE2-CZ 3.86Å; Y210-F251 HydrophobicContact CE2-CZ 3.86Å; Y210-F251 HydrophobicContact CG-CZ 4.47Å; Y210-F251 AromaticContact CZ-CZ 3.57Å; L245-F251 HydrophobicContact CD1-CB 3.51Å; L245-F251 HydrophobicContact CD1-CD2 4.23Å; L245-F251 HydrophobicContact CD1-CG 4.09Å; G249-F251 VanDerWaalsContact C-N 3.26Å; G249-F251 PolarHBondContact O-N 3.12Å; F251-G253 PolarHBondContact O-N 2.75Å; F251-C254 HydrophobicContact CB-CB 4.11Å; F251-C254 VanDerWaalsContact O-CB 3.24Å; F251-C254 WeakPolarHBondContact O-CB 3.23Å; F251-C254 PolarHBondContact O-N 3.16Å; F251-M321 HydrophobicContact CD1-CE 3.46Å; F251-M321 VanDerWaalsContact CD1-CE 3.46Å; F251-M321 HydrophobicContact CD1-SD 4.43Å; F251-M321 HydrophobicContact CE1-CE 3.87Å
252R76.6Confident82.3Confident190 Ų19062.4 Ų62.472%0.71731%0.306SS*.THydrogen-bonded Turntrans-54.8124.4-177.7-169.3176.7-166.9170.23.4110.5G249 F324 Q327G249-R252 WeakPolarHBondContact O-CB 3.23Å; G249-R252 PolarHBondContact O-N 2.52Å; R252-F324 WeakPolarHBondContact O-CD2 3.38Å; R252-Q327 PolarHBondContact O-OE1 2.81Å
253G75.8Confident81.6Confident17 Ų1770.6 Ų70.618%0.17534%0.342CS..THydrogen-bonded Turntrans94.7-9.6-177.200000114.7F251 R255 P323F251-G253 PolarHBondContact O-N 2.75Å; G253-R255 PolarHBondContact O-N 3.06Å; G253-P323 WeakPolarHBondContact O-CB 3.49Å
254C79.7Confident81.1Confident19 Ų1971.6 Ų71.613%0.12835%0.347CS..  trans-60.8126168.1179.70000109.7L245 F251 C320 M321L245-C254 HydrophobicContact CD1-CB 4.05Å; L245-C254 HydrophobicContact CD2-CB 4.35Å; F251-C254 HydrophobicContact CB-CB 4.11Å; F251-C254 VanDerWaalsContact O-CB 3.24Å; F251-C254 WeakPolarHBondContact O-CB 3.23Å; F251-C254 PolarHBondContact O-N 3.16Å; C254-C320 VanDerWaalsContact CA-O 3.28Å; C254-C320 WeakPolarHBondContact CA-O 3.47Å; C254-C320 PolarHBondContact SG-O 3.34Å; C254-M321 HydrophobicContact CB-SD 4.05Å
255R74.6Confident80.9Confident151 Ų15173.5 Ų73.557%0.5736%0.363SS*.  trans-136.8120.3-178.2-69.7-174.9-174.3-154.41110.5G253 C320G253-R255 PolarHBondContact O-N 3.06Å; R255-C320 PolarHBondContact N-O 3.42Å; R255-C320 WeakPolarHBondContact O-CA 3.32Å; R255-C320 VanDerWaalsContact O-CB 3.3Å; R255-C320 WeakPolarHBondContact O-CB 3.33Å
256I80.6Confident81Confident22 Ų2274.8 Ų74.811%0.11337%0.373CS..  trans-75.4175.4161.659.5168.8000109.9Y244 K258 I260 E261 L264 C320Y244-I256 VanDerWaalsContact OH-CG2 3.27Å; Y244-I256 WeakPolarHBondContact OH-CG2 3.27Å; I256-K258 PolarHBondContact O-N 2.93Å; I256-I260 HydrophobicContact CD1-CB 4.49Å; I256-I260 HydrophobicContact CD1-CG2 4.1Å; I256-E261 HydrophobicContact CG1-CB 4.46Å; I256-L264 HydrophobicContact CD1-CB 4.08Å; I256-L264 HydrophobicContact CD1-CD2 4.41Å; I256-L264 HydrophobicContact CD1-CG 4.45Å; I256-L264 WeakPolarHBondContact CD1-O 3.21Å; I256-C320 HydrophobicContact CG2-CB 4.28Å
257R82.3Confident81.3Confident95 Ų9575 Ų7536%0.35837%0.373SS..  trans-54.7129.7175.5179.4170.3-177.6-143.3-1.9111E259 I260 E261 F314 L315R257-E259 HydrophobicContact CG-CB 4.41Å; R257-E259 WeakPolarHBondContact CG-OE2 3.28Å; R257-E259 IonicContact CZ-OE1 2.81Å; R257-E259 IonicContact CZ-OE2 3.26Å; R257-E259 IonicContact NE-OE1 3.97Å; R257-E259 PolarHBondContact NE-OE1 3.16Å; R257-E259 VanDerWaalsContact NE-OE1 3.16Å; R257-E259 IonicContact NE-OE2 3.81Å; R257-E259 PolarHBondContact NE-OE2 2.87Å; R257-E259 VanDerWaalsContact NH2-CD 3.32Å; R257-E259 IonicContact NH2-OE1 3.93Å; R257-E259 PolarHBondContact NH2-OE1 3.13Å; R257-E259 IonicContact NH2-OE2 3.39Å; R257-E259 PolarHBondContact O-N 3.31Å; R257-E259 VanDerWaalsContact O-N 3.16Å; R257-I260 HydrophobicContact CB-CD1 4.1Å; R257-I260 HydrophobicContact CG-CD1 4.42Å; R257-I260 PolarHBondContact O-N 3.3Å; R257-E261 PolarHBondContact O-N 3.01Å; R257-E261 VanDerWaalsContact O-N 3.14Å; R257-F314 VanDerWaalsContact CD-O 3.31Å; R257-F314 WeakPolarHBondContact CD-O 3.38Å; R257-L315 VanDerWaalsContact CB-O 3.23Å; R257-L315 WeakPolarHBondContact CB-O 3.38Å; R257-L315 PolarHBondContact N-O 3.06Å
258K81.8Confident81.8Confident147 Ų14777.2 Ų77.264%0.63938%0.377SS*.THydrogen-bonded Turntrans-57.2-33.2-174-67.5-176.2-177.9177.20113.2I256 I260 P262I256-K258 PolarHBondContact O-N 2.93Å; K258-I260 PolarHBondContact O-N 2.78Å; K258-P262 VanDerWaalsContact O-CD 3.24Å; K258-P262 WeakPolarHBondContact O-CD 3.32Å
259E83.9Confident82.6Confident107 Ų10775.8 Ų75.850%0.537%0.369SS..THydrogen-bonded Turntrans-72-19.3-179.5-59.593.6132.500112.7R257R257-E259 HydrophobicContact CG-CB 4.41Å; R257-E259 WeakPolarHBondContact CG-OE2 3.28Å; R257-E259 IonicContact CZ-OE1 2.81Å; R257-E259 IonicContact CZ-OE2 3.26Å; R257-E259 IonicContact NE-OE1 3.97Å; R257-E259 PolarHBondContact NE-OE1 3.16Å; R257-E259 VanDerWaalsContact NE-OE1 3.16Å; R257-E259 IonicContact NE-OE2 3.81Å; R257-E259 PolarHBondContact NE-OE2 2.87Å; R257-E259 VanDerWaalsContact NH2-CD 3.32Å; R257-E259 IonicContact NH2-OE1 3.93Å; R257-E259 PolarHBondContact NH2-OE1 3.13Å; R257-E259 IonicContact NH2-OE2 3.39Å; R257-E259 PolarHBondContact O-N 3.31Å; R257-E259 VanDerWaalsContact O-N 3.16Å
260I82.2Confident83.5Confident27 Ų2778 Ų7814%0.13837%0.372CS..THydrogen-bonded Turntrans-100.4-23.8178.9-65.1160000111.4I256 R257 K258 P262 F263 L264 F314 L315I256-I260 HydrophobicContact CD1-CB 4.49Å; I256-I260 HydrophobicContact CD1-CG2 4.1Å; R257-I260 HydrophobicContact CB-CD1 4.1Å; R257-I260 HydrophobicContact CG-CD1 4.42Å; R257-I260 PolarHBondContact O-N 3.3Å; K258-I260 PolarHBondContact O-N 2.78Å; I260-P262 VanDerWaalsContact C-N 3.3Å; I260-F263 WeakPolarHBondContact O-CA 3.4Å; I260-F263 WeakPolarHBondContact O-CB 3.48Å; I260-F263 PolarHBondContact O-N 3.22Å; I260-L264 HydrophobicContact CG2-CB 4.35Å; I260-L264 PolarHBondContact O-N 3.16Å; I260-F314 HydrophobicContact CD1-CD1 4.44Å; I260-F314 HydrophobicContact CD1-CE1 4.24Å; I260-L315 HydrophobicContact CD1-CB 4.3Å; I260-L315 HydrophobicContact CD1-CD2 3.49Å; I260-L315 VanDerWaalsContact CD1-CD2 3.49Å; I260-L315 HydrophobicContact CD1-CG 4.41Å; I260-L315 HydrophobicContact CG1-CD2 4.49Å; I260-L315 HydrophobicContact CG2-CD2 4.36Å
261E80.6Confident84.3Confident74 Ų7480.8 Ų80.835%0.34638%0.38SS..THydrogen-bonded Turntrans-49.4-38.3177.5-169.8175.3-176.200114.4I256 R257 F263 L264 P265I256-E261 HydrophobicContact CG1-CB 4.46Å; R257-E261 PolarHBondContact O-N 3.01Å; R257-E261 VanDerWaalsContact O-N 3.14Å; E261-F263 VanDerWaalsContact C-N 3.25Å; E261-F263 PolarHBondContact O-N 3.45Å; E261-L264 CarbonylContact O-C 3.55Å; E261-L264 VanDerWaalsContact O-C 3.27Å; E261-L264 PolarHBondContact O-N 3.24Å; E261-P265 VanDerWaalsContact O-CA 3.23Å; E261-P265 WeakPolarHBondContact O-CA 3.49Å; E261-P265 WeakPolarHBondContact O-CB 3.37Å; E261-P265 WeakPolarHBondContact O-CD 3.21Å
262P82.9Confident85.1Confident101 Ų10179.6 Ų79.666%0.65638%0.375SS*.THydrogen-bonded Turntrans-62.4-29.3173.8-2535.1000114.3K258 I260K258-P262 VanDerWaalsContact O-CD 3.24Å; K258-P262 WeakPolarHBondContact O-CD 3.32Å; I260-P262 VanDerWaalsContact C-N 3.3Å
263F83.1Confident86.1Confident173 Ų17370.6 Ų70.676%0.75934%0.341SS*.THydrogen-bonded Turntrans-91.2-26.8-179.9-59.2-79.1000112.5I260 E261I260-F263 WeakPolarHBondContact O-CA 3.4Å; I260-F263 WeakPolarHBondContact O-CB 3.48Å; I260-F263 PolarHBondContact O-N 3.22Å; E261-F263 VanDerWaalsContact C-N 3.25Å; E261-F263 PolarHBondContact O-N 3.45Å
264L86Confident87.1Confident27 Ų2775.2 Ų75.214%0.14136%0.356CS..SBendtrans-134.164.9178.7-168.263.4000111.1Y244 I256 I260 E261 P290 L292 M293Y244-L264 HydrophobicContact CD1-CD1 4.33Å; Y244-L264 HydrophobicContact CD1-CG 4.3Å; Y244-L264 HydrophobicContact CE1-CD1 4.41Å; Y244-L264 HydrophobicContact CE1-CD2 4.25Å; Y244-L264 HydrophobicContact CE1-CG 3.88Å; Y244-L264 HydrophobicContact CE2-CD2 4.49Å; I256-L264 HydrophobicContact CD1-CB 4.08Å; I256-L264 HydrophobicContact CD1-CD2 4.41Å; I256-L264 HydrophobicContact CD1-CG 4.45Å; I256-L264 WeakPolarHBondContact CD1-O 3.21Å; I260-L264 HydrophobicContact CG2-CB 4.35Å; I260-L264 PolarHBondContact O-N 3.16Å; E261-L264 CarbonylContact O-C 3.55Å; E261-L264 VanDerWaalsContact O-C 3.27Å; E261-L264 PolarHBondContact O-N 3.24Å; L264-P290 HydrophobicContact CD1-CG 3.67Å; L264-L292 HydrophobicContact CD1-CD2 4.36Å; L264-M293 HydrophobicContact CD1-CE 4.04Å; L264-M293 HydrophobicContact CD2-CE 4.05Å
265P85.7Confident87.9Confident70 Ų7077.1 Ų77.146%0.45536%0.363SS..PPolyproline II helixtrans-70.8158.6-178.729.4-35.5000111.2E261 L267E261-P265 VanDerWaalsContact O-CA 3.23Å; E261-P265 WeakPolarHBondContact O-CA 3.49Å; E261-P265 WeakPolarHBondContact O-CB 3.37Å; E261-P265 WeakPolarHBondContact O-CD 3.21Å; P265-L267 PolarHBondContact O-N 2.9Å
266P87Confident89.1Confident50 Ų5069.9 Ų69.933%0.32534%0.336SS..PPolyproline II helixtrans-52.3137.1166.1-22.432000110.9L245 D247L245-P266 HydrophobicContact CD2-CB 4.18Å; L245-P266 HydrophobicContact CD2-CG 3.97Å; L245-P266 HydrophobicContact CG-CB 4.28Å; D247-P266 HydrophobicContact CB-CB 4.4Å
267L89Confident89.9Confident16 Ų1668.9 Ų68.98%0.08433%0.331CS..BIsolated β-bridgetrans-74.1134179.6-64.1173.3000110.6L245 D247 P265 Y271 T289L245-L267 PolarHBondContact O-N 3.37Å; D247-L267 PolarHBondContact N-O 2.8Å; P265-L267 PolarHBondContact O-N 2.9Å; L267-Y271 HydrophobicContact CD2-CD1 4.17Å; L267-Y271 HydrophobicContact CD2-CE1 4.24Å; L267-T289 HydrophobicContact CD1-CG2 3.61Å; L267-T289 VanDerWaalsContact CD1-O 3.24Å; L267-T289 WeakPolarHBondContact CD1-O 3.26Å; L267-T289 HydrophobicContact CD2-CG2 4.07Å; L267-T289 HydrophobicContact CG-CG2 4.48Å
268K93.3Very high90.6Very high160 Ų16068.6 Ų68.670%0.69633%0.332SS*.PPolyproline II helixtrans-62.1130165-67.7-174.8178.1-177.40109.3D270 Y271 C272K268-D270 VanDerWaalsContact C-N 3.31Å; K268-D270 PolarHBondContact O-N 3.23Å; K268-Y271 PolarHBondContact O-N 3.28Å; K268-Y271 VanDerWaalsContact O-N 3.09Å; K268-C272 PolarHBondContact O-N 3.47Å
269P94.3Very high91.3Very high25 Ų2561.6 Ų61.616%0.16230%0.302CS..Hα-helixtrans-51.6-45.6179-29.835.3000113.7L48 L51 V246 D247 T248 Y271 C272 V273L48-P269 HydrophobicContact CD2-CB 4.42Å; L51-P269 HydrophobicContact CD1-CB 3.34Å; V246-P269 HydrophobicContact CG1-CB 4.17Å; V246-P269 HydrophobicContact CG1-CG 3.96Å; D247-P269 WeakPolarHBondContact O-CG 2.92Å; T248-P269 HydrophobicContact CG2-CB 4.18Å; T248-P269 HydrophobicContact CG2-CG 3.86Å; P269-Y271 VanDerWaalsContact C-N 3.34Å; P269-Y271 PolarHBondContact O-N 2.91Å; P269-C272 WeakPolarHBondContact O-CB 3.45Å; P269-C272 PolarHBondContact O-N 2.97Å; P269-V273 PolarHBondContact O-N 3.43Å
270D95.4Very high92Very high85 Ų8556.5 Ų56.546%0.45528%0.278SS..Hα-helixtrans-61.3-40.9179-61.9-72.6000112.7L51 K268 K274L51-D270 WeakPolarHBondContact CD2-OD1 3.44Å; K268-D270 VanDerWaalsContact C-N 3.31Å; K268-D270 PolarHBondContact O-N 3.23Å; D270-K274 WeakPolarHBondContact O-CB 3.2Å; D270-K274 VanDerWaalsContact O-CG 3.25Å; D270-K274 WeakPolarHBondContact O-CG 3.26Å; D270-K274 PolarHBondContact O-N 3.26Å
271Y95.7Very high92.8Very high115 Ų11555.3 Ų55.345%0.45127%0.272SS..Hα-helixtrans-65.6-43.4177.3174.6-101.8000110.8L267 K268 P269 K274 Q275 T289L267-Y271 HydrophobicContact CD2-CD1 4.17Å; L267-Y271 HydrophobicContact CD2-CE1 4.24Å; K268-Y271 PolarHBondContact O-N 3.28Å; K268-Y271 VanDerWaalsContact O-N 3.09Å; P269-Y271 VanDerWaalsContact C-N 3.34Å; P269-Y271 PolarHBondContact O-N 2.91Å; Y271-K274 PolarHBondContact O-N 3.31Å; Y271-Q275 HydrophobicContact CD1-CG 4.49Å; Y271-Q275 HydrophobicContact CD2-CG 4.48Å; Y271-Q275 HydrophobicContact CE1-CG 4.01Å; Y271-Q275 HydrophobicContact CE2-CG 4Å; Y271-Q275 WeakPolarHBondContact O-CG 3.29Å; Y271-Q275 PolarHBondContact O-N 2.9Å; Y271-T289 HydrophobicContact CD1-CG2 4.18Å; Y271-T289 HydrophobicContact CE1-CG2 3.73Å
272C96Very high93.5Very high1 Ų152.8 Ų52.81%0.00726%0.262CS..Hα-helixtrans-59.5-49.1177.1-175.10000111.7L48 V246 K268 P269 Q275 A276L48-C272 HydrophobicContact CD2-CB 4.28Å; V246-C272 HydrophobicContact CG1-CB 4.39Å; V246-C272 HydrophobicContact CG2-CB 4.46Å; K268-C272 PolarHBondContact O-N 3.47Å; P269-C272 WeakPolarHBondContact O-CB 3.45Å; P269-C272 PolarHBondContact O-N 2.97Å; C272-Q275 PolarHBondContact O-N 3.31Å; C272-A276 WeakPolarHBondContact O-CB 3.5Å; C272-A276 PolarHBondContact O-N 3.11Å
273V97.9Very high94.1Very high1 Ų150.5 Ų50.51%0.00624%0.244CC..Hα-helixtrans-65-40.1178.31750000111.6L48 L51 F52 E55 P269 Q275 A276 M277L48-V273 HydrophobicContact CB-CG2 4.28Å; L48-V273 HydrophobicContact CD2-CG2 3.55Å; L51-V273 HydrophobicContact CB-CB 4.09Å; L51-V273 HydrophobicContact CB-CG1 4.17Å; L51-V273 HydrophobicContact CB-CG2 3.59Å; L51-V273 HydrophobicContact CD1-CG2 4.24Å; F52-V273 HydrophobicContact CD1-CG1 3.76Å; F52-V273 HydrophobicContact CD2-CG2 4.33Å; F52-V273 HydrophobicContact CE1-CG1 4.04Å; F52-V273 HydrophobicContact CE2-CG2 4.3Å; F52-V273 HydrophobicContact CG-CG1 4.06Å; E55-V273 HydrophobicContact CB-CG1 4.38Å; E55-V273 HydrophobicContact CG-CG1 3.89Å; P269-V273 PolarHBondContact O-N 3.43Å; V273-Q275 VanDerWaalsContact C-N 3.34Å; V273-Q275 PolarHBondContact O-N 3.42Å; V273-A276 CarbonylContact O-C 3.53Å; V273-A276 PolarHBondContact O-N 3.4Å; V273-M277 HydrophobicContact CG1-CG 3.96Å; V273-M277 WeakPolarHBondContact O-CB 3.23Å; V273-M277 VanDerWaalsContact O-CG 3.29Å; V273-M277 WeakPolarHBondContact O-CG 3.42Å; V273-M277 PolarHBondContact O-N 3.27Å
274K97.5Very high94.7Very high114 Ų11444.7 Ų44.750%0.49622%0.219SC..Hα-helixtrans-60.6-41.7175.9-76177-177.2-175.90112.7D270 Y271 K278D270-K274 WeakPolarHBondContact O-CB 3.2Å; D270-K274 VanDerWaalsContact O-CG 3.25Å; D270-K274 WeakPolarHBondContact O-CG 3.26Å; D270-K274 PolarHBondContact O-N 3.26Å; Y271-K274 PolarHBondContact O-N 3.31Å; K274-K278 WeakPolarHBondContact O-CB 3.49Å; K274-K278 PolarHBondContact O-N 3.09Å
275Q97Very high95.2Very high58 Ų5847.3 Ų47.327%0.27124%0.238SC..Hα-helixtrans-66.5-41.1174.7-66.2-56.4-4700111.8Y271 C272 V273 K278 A279 T289Y271-Q275 HydrophobicContact CD1-CG 4.49Å; Y271-Q275 HydrophobicContact CD2-CG 4.48Å; Y271-Q275 HydrophobicContact CE1-CG 4.01Å; Y271-Q275 HydrophobicContact CE2-CG 4Å; Y271-Q275 WeakPolarHBondContact O-CG 3.29Å; Y271-Q275 PolarHBondContact O-N 2.9Å; C272-Q275 PolarHBondContact O-N 3.31Å; V273-Q275 VanDerWaalsContact C-N 3.34Å; V273-Q275 PolarHBondContact O-N 3.42Å; Q275-K278 PolarHBondContact O-N 3.46Å; Q275-A279 PolarHBondContact O-N 2.85Å; Q275-T289 HydrophobicContact CB-CG2 4.42Å; Q275-T289 HydrophobicContact CG-CG2 4.3Å
276A98.1Very high95.7Very high0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-63.9-45.117600000111.9F52 V241 C272 V273 K278 A279 I280F52-A276 HydrophobicContact CE1-CB 3.72Å; F52-A276 HydrophobicContact CZ-CB 3.57Å; V241-A276 HydrophobicContact CG1-CB 3.66Å; V241-A276 HydrophobicContact CG2-CB 4.06Å; C272-A276 WeakPolarHBondContact O-CB 3.5Å; C272-A276 PolarHBondContact O-N 3.11Å; V273-A276 CarbonylContact O-C 3.53Å; V273-A276 PolarHBondContact O-N 3.4Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 3.07Å; A276-A279 WeakPolarHBondContact O-CB 3.45Å; A276-A279 PolarHBondContact O-N 3.4Å; A276-A279 VanDerWaalsContact O-N 3.11Å; A276-I280 WeakPolarHBondContact O-CD1 3.39Å; A276-I280 WeakPolarHBondContact O-CG1 3.48Å; A276-I280 PolarHBondContact O-N 3.38Å
277M98.2Very high96.2Very high0 Ų044.2 Ų44.20%021%0.213CC..Hα-helixtrans-59-44.9175.1-75.5-60.9-62.500111.4F52 E55 F56 V273 A279 I280 L281F52-M277 HydrophobicContact CD1-CG 4.18Å; F52-M277 HydrophobicContact CD1-SD 3.73Å; F52-M277 HydrophobicContact CE1-CG 4.3Å; F52-M277 HydrophobicContact CE1-SD 4.13Å; E55-M277 HydrophobicContact CB-CE 4.18Å; E55-M277 HydrophobicContact CB-CG 3.72Å; E55-M277 HydrophobicContact CB-SD 4.17Å; E55-M277 HydrophobicContact CG-CG 4.18Å; F56-M277 HydrophobicContact CD1-CE 3.96Å; F56-M277 HydrophobicContact CD2-CE 4.04Å; F56-M277 HydrophobicContact CD2-SD 3.85Å; F56-M277 HydrophobicContact CE1-CE 3.94Å; F56-M277 HydrophobicContact CE1-SD 4.44Å; F56-M277 HydrophobicContact CE2-CE 4Å; F56-M277 HydrophobicContact CE2-SD 3.51Å; F56-M277 VanDerWaalsContact CE2-SD 3.51Å; F56-M277 HydrophobicContact CG-CE 4Å; F56-M277 HydrophobicContact CG-SD 4.42Å; F56-M277 HydrophobicContact CZ-CE 3.96Å; F56-M277 HydrophobicContact CZ-SD 3.85Å; V273-M277 HydrophobicContact CG1-CG 3.96Å; V273-M277 WeakPolarHBondContact O-CB 3.23Å; V273-M277 VanDerWaalsContact O-CG 3.29Å; V273-M277 WeakPolarHBondContact O-CG 3.42Å; V273-M277 PolarHBondContact O-N 3.27Å; M277-A279 VanDerWaalsContact C-N 3.29Å; M277-A279 PolarHBondContact O-N 3.26Å; M277-I280 PolarHBondContact O-N 3.42Å; M277-I280 HydrophobicContact SD-CD1 4.21Å; M277-L281 HydrophobicContact CE-CD1 4.26Å; M277-L281 HydrophobicContact CE-CG 4.47Å; M277-L281 WeakPolarHBondContact O-CB 3.29Å; M277-L281 WeakPolarHBondContact O-CG 3.21Å; M277-L281 PolarHBondContact O-N 2.72Å
278K96.8Very high96.6Very high89 Ų8943.5 Ų43.539%0.38721%0.21SC..Hα-helixtrans-57.1-44.2174.2-175.3178.9179-178.40111.7K274 Q275 A276 L281 T282K274-K278 WeakPolarHBondContact O-CB 3.49Å; K274-K278 PolarHBondContact O-N 3.09Å; Q275-K278 PolarHBondContact O-N 3.46Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 3.07Å; K278-L281 PolarHBondContact O-N 2.85Å; K278-T282 WeakPolarHBondContact O-CB 3.43Å; K278-T282 VanDerWaalsContact O-CG2 3.3Å; K278-T282 WeakPolarHBondContact O-CG2 3.36Å; K278-T282 PolarHBondContact O-N 3.45Å; K278-T282 VanDerWaalsContact O-N 3.09Å; K278-T282 PolarHBondContact O-OG1 2.97Å
279A97.2Very high96.7Very high0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-62.5-45.8176.700000112T239 Q275 A276 M277 L281 T282 D283 Q284 I287T239-A279 HydrophobicContact CG2-CB 4.21Å; Q275-A279 PolarHBondContact O-N 2.85Å; A276-A279 WeakPolarHBondContact O-CB 3.45Å; A276-A279 PolarHBondContact O-N 3.4Å; A276-A279 VanDerWaalsContact O-N 3.11Å; M277-A279 VanDerWaalsContact C-N 3.29Å; M277-A279 PolarHBondContact O-N 3.26Å; A279-L281 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 3.07Å; A279-T282 CarbonylContact O-C 3.27Å; A279-T282 PolarHBondContact O-N 3.42Å; A279-T282 PolarHBondContact O-OG1 3.12Å; A279-D283 PolarHBondContact O-N 2.73Å; A279-D283 VanDerWaalsContact O-N 3.15Å; A279-Q284 HydrophobicContact CB-CB 3.91Å; A279-Q284 HydrophobicContact CB-CG 4.45Å; A279-Q284 PolarHBondContact O-N 3.47Å; A279-I287 HydrophobicContact CB-CB 3.66Å; A279-I287 HydrophobicContact CB-CG1 4.17Å; A279-I287 HydrophobicContact CB-CG2 3.56Å
280I98.3Very high96.6Very high1 Ų136.2 Ų36.21%0.00518%0.179CC..Hα-helixtrans-60.9-42.5178.1-66162.5000111.3K32 F52 F56 H191 V193 T239 A276 M277 T282K32-I280 WeakPolarHBondContact CE-O 3.45Å; F52-I280 HydrophobicContact CD1-CD1 4.39Å; F52-I280 HydrophobicContact CE1-CD1 3.74Å; F56-I280 HydrophobicContact CZ-CG2 4.23Å; H191-I280 PolarHBondContact CE1-O 2.96Å; H191-I280 PolarHBondContact ND1-O 2.91Å; V193-I280 HydrophobicContact CB-CD1 4.42Å; V193-I280 HydrophobicContact CG1-CD1 3.69Å; V193-I280 HydrophobicContact CG1-CG1 3.92Å; V193-I280 HydrophobicContact CG2-CD1 3.95Å; V193-I280 HydrophobicContact CG2-CG1 3.76Å; V193-I280 HydrophobicContact CG2-CG2 4Å; T239-I280 HydrophobicContact CG2-CG1 3.98Å; A276-I280 WeakPolarHBondContact O-CD1 3.39Å; A276-I280 WeakPolarHBondContact O-CG1 3.48Å; A276-I280 PolarHBondContact O-N 3.38Å; M277-I280 PolarHBondContact O-N 3.42Å; M277-I280 HydrophobicContact SD-CD1 4.21Å; I280-T282 VanDerWaalsContact C-N 3.28Å; I280-T282 PolarHBondContact O-N 3.46Å
281L97.9Very high96.5Very high2 Ų239.6 Ų39.61%0.0119%0.185CC..Hα-helixtrans-77.6-16.5-177.4-62.2168.4000112.7E31 K32 V34 M277 K278 A279E31-L281 CarbonylContact C-O 3.55Å; E31-L281 WeakPolarHBondContact CA-O 3.35Å; E31-L281 HydrophobicContact CB-CB 3.95Å; E31-L281 HydrophobicContact CG-CB 3.96Å; E31-L281 WeakPolarHBondContact OE2-CD1 3.34Å; K32-L281 HydrophobicContact CG-CD2 4.49Å; K32-L281 WeakPolarHBondContact CG-O 3.42Å; K32-L281 PolarHBondContact N-O 3.26Å; K32-L281 WeakPolarHBondContact O-CD2 3.41Å; V34-L281 HydrophobicContact CG1-CD2 3.64Å; V34-L281 HydrophobicContact CG2-CD2 4.21Å; M277-L281 HydrophobicContact CE-CD1 4.26Å; M277-L281 HydrophobicContact CE-CG 4.47Å; M277-L281 WeakPolarHBondContact O-CB 3.29Å; M277-L281 WeakPolarHBondContact O-CG 3.21Å; M277-L281 PolarHBondContact O-N 2.72Å; K278-L281 PolarHBondContact O-N 2.85Å; A279-L281 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 3.07Å
282T96.3Very high96.3Very high21 Ų2138.1 Ų38.113%0.12919%0.185CC..THydrogen-bonded Turntrans-108.112.7179.358.10000112.7P29 E31 K278 A279 I280 Q284P29-T282 HydrophobicContact CB-CG2 3.93Å; P29-T282 HydrophobicContact CG-CG2 3.73Å; E31-T282 HydrophobicContact CG-CG2 3.97Å; K278-T282 WeakPolarHBondContact O-CB 3.43Å; K278-T282 VanDerWaalsContact O-CG2 3.3Å; K278-T282 WeakPolarHBondContact O-CG2 3.36Å; K278-T282 PolarHBondContact O-N 3.45Å; K278-T282 VanDerWaalsContact O-N 3.09Å; K278-T282 PolarHBondContact O-OG1 2.97Å; A279-T282 CarbonylContact O-C 3.27Å; A279-T282 PolarHBondContact O-N 3.42Å; A279-T282 PolarHBondContact O-OG1 3.12Å; I280-T282 VanDerWaalsContact C-N 3.28Å; I280-T282 PolarHBondContact O-N 3.46Å; T282-Q284 PolarHBondContact O-N 2.91Å
283D96.3Very high96.1Very high52 Ų5238.3 Ų38.328%0.27819%0.186SC..THydrogen-bonded Turntrans5137.8-178.3-61.6-28.4000113K32 H191 K237 A279 P285K32-D283 WeakPolarHBondContact CE-OD1 3.23Å; K32-D283 IonicContact NZ-OD1 3.16Å; K32-D283 PolarHBondContact NZ-OD1 3.15Å; H191-D283 IonicContact CE1-OD1 3.97Å; K237-D283 HydrophobicContact CD-CB 4.41Å; K237-D283 WeakPolarHBondContact CE-OD2 3.46Å; K237-D283 HydrophobicContact CG-CB 4.45Å; A279-D283 PolarHBondContact O-N 2.73Å; A279-D283 VanDerWaalsContact O-N 3.15Å; D283-P285 WeakPolarHBondContact O-CD 3.43Å
284Q95.4Very high95.9Very high51 Ų5141.5 Ų41.524%0.23820%0.198CC..  trans-74.8118.1178.4-177.7179.2-22.500109.3T239 A279 T282 M286 Y294T239-Q284 WeakPolarHBondContact CG2-O 3.35Å; T239-Q284 PolarHBondContact OG1-O 2.83Å; A279-Q284 HydrophobicContact CB-CB 3.91Å; A279-Q284 HydrophobicContact CB-CG 4.45Å; A279-Q284 PolarHBondContact O-N 3.47Å; T282-Q284 PolarHBondContact O-N 2.91Å; Q284-M286 WeakPolarHBondContact CG-O 3.16Å; Q284-M286 PolarHBondContact NE2-O 2.96Å; Q284-M286 PolarHBondContact O-N 3.35Å; Q284-M286 VanDerWaalsContact O-N 3.11Å; Q284-Y294 PolarHBondContact NE2-OH 3.29Å
285P96Very high95.6Very high83 Ų8340.8 Ų40.854%0.53920%0.199SC..SBendtrans-59.9-31.4-172.3-26.635000114.4L240 D283L240-P285 PolarHBondContact N-O 2.8Å; D283-P285 WeakPolarHBondContact O-CD 3.43Å
286M97.1Very high95.3Very high48 Ų4840.4 Ų40.424%0.23620%0.2CC..EExtended strand (participates in β ladder)trans-151.1134.8-179.3179.2-177.6177.700110.6L201 L240 Q284 C288 Y294L201-M286 HydrophobicContact CD1-CE 3.27Å; L201-M286 HydrophobicContact CD2-CE 3.61Å; L201-M286 HydrophobicContact CG-CE 4.06Å; L240-M286 HydrophobicContact CB-CB 4.21Å; L240-M286 HydrophobicContact CB-CG 4.19Å; L240-M286 HydrophobicContact CD2-CE 4.39Å; L240-M286 HydrophobicContact CD2-CG 4.07Å; L240-M286 HydrophobicContact CD2-SD 4.2Å; L240-M286 HydrophobicContact CG-CG 4.31Å; L240-M286 CarbonylContact O-C 3.59Å; L240-M286 VanDerWaalsContact O-CA 3.29Å; L240-M286 WeakPolarHBondContact O-CA 3.18Å; Q284-M286 WeakPolarHBondContact CG-O 3.16Å; Q284-M286 PolarHBondContact NE2-O 2.96Å; Q284-M286 PolarHBondContact O-N 3.35Å; Q284-M286 VanDerWaalsContact O-N 3.11Å; M286-C288 VanDerWaalsContact CE-SG 3.6Å; M286-Y294 HydrophobicContact CE-CE1 4.44Å; M286-Y294 HydrophobicContact CG-CE1 4.43Å; M286-Y294 PolarHBondContact O-OH 3.27Å; M286-Y294 HydrophobicContact SD-CE1 4.4Å
287I96.8Very high95Very high6 Ų641.9 Ų41.93%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-124.8121.8173.8-177.861.1000111.3L240 V241 C242 A279 Y294L240-I287 PolarHBondContact O-N 3.41Å; V241-I287 HydrophobicContact CB-CG2 4.19Å; V241-I287 HydrophobicContact CG1-CG2 4.1Å; V241-I287 HydrophobicContact CG2-CG2 3.99Å; C242-I287 PolarHBondContact N-O 3.49Å; A279-I287 HydrophobicContact CB-CB 3.66Å; A279-I287 HydrophobicContact CB-CG1 4.17Å; A279-I287 HydrophobicContact CB-CG2 3.56Å; I287-Y294 WeakPolarHBondContact CA-OH 3.2Å
288C96.6Very high94.8Very high1 Ų148 Ų481%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-100.8131.6164.4-580000111C242 M286 P290 R291 M293 Y294C242-C288 WeakPolarHBondContact O-CA 3.42Å; M286-C288 VanDerWaalsContact CE-SG 3.6Å; C288-P290 CarbonylContact O-C 3.58Å; C288-R291 PolarHBondContact O-N 3.29Å; C288-M293 HydrophobicContact CB-CB 3.88Å; C288-Y294 HydrophobicContact CB-CD1 4.39Å; C288-Y294 HydrophobicContact CB-CD2 3.85Å; C288-Y294 HydrophobicContact CB-CE1 4.21Å; C288-Y294 HydrophobicContact CB-CE2 3.62Å; C288-Y294 HydrophobicContact CB-CG 4.23Å; C288-Y294 PolarHBondContact N-OH 3.49Å; C288-Y294 VanDerWaalsContact N-OH 3.07Å
289T95.3Very high94.5Very high3 Ų347.6 Ų47.62%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-120.2122.9175.8-51.70000108.3C242 Y244 L267 Y271 Q275C242-T289 PolarHBondContact O-N 3.02Å; Y244-T289 VanDerWaalsContact CB-O 3.24Å; Y244-T289 WeakPolarHBondContact CB-O 3.39Å; Y244-T289 PolarHBondContact N-O 2.76Å; L267-T289 HydrophobicContact CD1-CG2 3.61Å; L267-T289 VanDerWaalsContact CD1-O 3.24Å; L267-T289 WeakPolarHBondContact CD1-O 3.26Å; L267-T289 HydrophobicContact CD2-CG2 4.07Å; L267-T289 HydrophobicContact CG-CG2 4.48Å; Y271-T289 HydrophobicContact CD1-CG2 4.18Å; Y271-T289 HydrophobicContact CE1-CG2 3.73Å; Q275-T289 HydrophobicContact CB-CG2 4.42Å; Q275-T289 HydrophobicContact CG-CG2 4.3Å
290P93.6Very high94.1Very high30 Ų3051.3 Ų51.320%0.19525%0.253CS..SBendcis-69.4163.8-10.732.9-34.4000111.7L264 C288 L292 M293L264-P290 HydrophobicContact CD1-CG 3.67Å; C288-P290 CarbonylContact O-C 3.58Å; P290-L292 HydrophobicContact CG-CB 4.47Å; P290-L292 PolarHBondContact O-N 3.38Å; P290-M293 HydrophobicContact CG-CG 4.47Å; P290-M293 WeakPolarHBondContact O-CB 3.49Å; P290-M293 WeakPolarHBondContact O-CG 3.26Å; P290-M293 PolarHBondContact O-N 3.28Å
291R91.7Very high93.8Very high156 Ų15655.7 Ų55.759%0.58928%0.283SS*.THydrogen-bonded Turntrans-60-20.5-179.5-64.9-176.766.781.51113.9C288 M293 Y294C288-R291 PolarHBondContact O-N 3.29Å; R291-M293 PolarHBondContact O-N 3.22Å; R291-M293 VanDerWaalsContact O-N 3.14Å; R291-Y294 HydrophobicContact CB-CD2 4.31Å; R291-Y294 VanDerWaalsContact O-CD2 3.27Å; R291-Y294 WeakPolarHBondContact O-CD2 3.3Å; R291-Y294 PolarHBondContact O-N 3.32Å; R291-Y294 VanDerWaalsContact O-N 3.14Å
292L91.7Very high93.6Very high84 Ų8460.8 Ų60.844%0.4431%0.31SS..Hα-helixtrans-54.7-29.4173.1-178.861.2000112.4L264 P290 Y294 I295 V296L264-L292 HydrophobicContact CD1-CD2 4.36Å; P290-L292 HydrophobicContact CG-CB 4.47Å; P290-L292 PolarHBondContact O-N 3.38Å; L292-Y294 PolarHBondContact O-N 2.92Å; L292-I295 HydrophobicContact CD1-CB 4.46Å; L292-I295 HydrophobicContact CD1-CD1 4.18Å; L292-I295 WeakPolarHBondContact O-CB 3.28Å; L292-I295 PolarHBondContact O-N 3.02Å; L292-V296 PolarHBondContact O-N 3.02Å
293M92.8Very high93.4Very high5 Ų562.3 Ų62.33%0.02532%0.317CS..Hα-helixtrans-63.3-25.8-179.8-64.4-6095.500113.4F202 Y244 L264 C288 P290 R291 I295 V296 T297F202-M293 HydrophobicContact CE1-SD 3.89Å; F202-M293 HydrophobicContact CZ-SD 4.03Å; Y244-M293 HydrophobicContact CD2-SD 3.97Å; Y244-M293 HydrophobicContact CG-SD 4.36Å; L264-M293 HydrophobicContact CD1-CE 4.04Å; L264-M293 HydrophobicContact CD2-CE 4.05Å; C288-M293 HydrophobicContact CB-CB 3.88Å; P290-M293 HydrophobicContact CG-CG 4.47Å; P290-M293 WeakPolarHBondContact O-CB 3.49Å; P290-M293 WeakPolarHBondContact O-CG 3.26Å; P290-M293 PolarHBondContact O-N 3.28Å; R291-M293 PolarHBondContact O-N 3.22Å; R291-M293 VanDerWaalsContact O-N 3.14Å; M293-I295 VanDerWaalsContact C-N 3.29Å; M293-I295 PolarHBondContact O-N 3.26Å; M293-V296 HydrophobicContact CE-CG2 3.75Å; M293-V296 PolarHBondContact O-N 3.45Å; M293-V296 HydrophobicContact SD-CG2 4.48Å; M293-T297 PolarHBondContact O-N 3.32Å; M293-T297 PolarHBondContact O-OG1 3.33Å; M293-T297 VanDerWaalsContact O-OG1 3.13Å
294Y92.8Very high93.4Very high67 Ų6764 Ų6426%0.26333%0.331SS..Hα-helixtrans-60.7-41.5171.4-71.2-74.4000111.9Q284 M286 I287 C288 R291 L292 T297 F298Q284-Y294 PolarHBondContact NE2-OH 3.29Å; M286-Y294 HydrophobicContact CE-CE1 4.44Å; M286-Y294 HydrophobicContact CG-CE1 4.43Å; M286-Y294 PolarHBondContact O-OH 3.27Å; M286-Y294 HydrophobicContact SD-CE1 4.4Å; I287-Y294 WeakPolarHBondContact CA-OH 3.2Å; C288-Y294 HydrophobicContact CB-CD1 4.39Å; C288-Y294 HydrophobicContact CB-CD2 3.85Å; C288-Y294 HydrophobicContact CB-CE1 4.21Å; C288-Y294 HydrophobicContact CB-CE2 3.62Å; C288-Y294 HydrophobicContact CB-CG 4.23Å; C288-Y294 PolarHBondContact N-OH 3.49Å; C288-Y294 VanDerWaalsContact N-OH 3.07Å; R291-Y294 HydrophobicContact CB-CD2 4.31Å; R291-Y294 VanDerWaalsContact O-CD2 3.27Å; R291-Y294 WeakPolarHBondContact O-CD2 3.3Å; R291-Y294 PolarHBondContact O-N 3.32Å; R291-Y294 VanDerWaalsContact O-N 3.14Å; L292-Y294 PolarHBondContact O-N 2.92Å; Y294-T297 PolarHBondContact O-N 2.86Å; Y294-F298 WeakPolarHBondContact O-CB 3.24Å; Y294-F298 PolarHBondContact O-N 2.93Å
295I92.1Very high93.3Very high100 Ų10069 Ų6951%0.51335%0.351SS..Hα-helixtrans-67.6-41.8178.1-62.2168.9000109.2L292 M293 T297 F298 M299L292-I295 HydrophobicContact CD1-CB 4.46Å; L292-I295 HydrophobicContact CD1-CD1 4.18Å; L292-I295 WeakPolarHBondContact O-CB 3.28Å; L292-I295 PolarHBondContact O-N 3.02Å; M293-I295 VanDerWaalsContact C-N 3.29Å; M293-I295 PolarHBondContact O-N 3.26Å; I295-T297 VanDerWaalsContact C-N 3.35Å; I295-T297 PolarHBondContact O-N 3.28Å; I295-F298 PolarHBondContact O-N 3.18Å; I295-M299 HydrophobicContact CG2-CG 4.02Å; I295-M299 WeakPolarHBondContact O-CB 3.18Å; I295-M299 WeakPolarHBondContact O-CG 3.43Å; I295-M299 PolarHBondContact O-N 3.41Å
296V90.7Very high93.2Very high50 Ų5071.4 Ų71.430%0.30336%0.356SS..Hα-helixtrans-58.9-46.5176.7177.20000111.2F202 L292 M293 F298 M299 K300F202-V296 HydrophobicContact CD1-CG1 4.03Å; F202-V296 HydrophobicContact CE1-CG1 4.12Å; F202-V296 HydrophobicContact CG-CG1 4.49Å; L292-V296 PolarHBondContact O-N 3.02Å; M293-V296 HydrophobicContact CE-CG2 3.75Å; M293-V296 PolarHBondContact O-N 3.45Å; M293-V296 HydrophobicContact SD-CG2 4.48Å; V296-F298 PolarHBondContact O-N 3.2Å; V296-M299 PolarHBondContact O-N 3.02Å; V296-K300 WeakPolarHBondContact O-CB 3.43Å; V296-K300 PolarHBondContact O-N 2.92Å
297T91.9Very high93.1Very high31 Ų3170.6 Ų70.619%0.1936%0.357CS..Hα-helixtrans-62.4-42176.6-600000112.2L201 M293 Y294 I295 S301L201-T297 HydrophobicContact CB-CG2 3.99Å; L201-T297 WeakPolarHBondContact CB-OG1 3.49Å; M293-T297 PolarHBondContact O-N 3.32Å; M293-T297 PolarHBondContact O-OG1 3.33Å; M293-T297 VanDerWaalsContact O-OG1 3.13Å; Y294-T297 PolarHBondContact O-N 2.86Å; I295-T297 VanDerWaalsContact C-N 3.35Å; I295-T297 PolarHBondContact O-N 3.28Å; T297-S301 PolarHBondContact O-N 3.31Å; T297-S301 PolarHBondContact O-OG 2.81Å
298F92.8Very high92.9Very high128 Ų12871.6 Ų71.656%0.56136%0.363SS*.Hα-helixtrans-63.1-47.4175.5177.3-104.8000111.8Y294 I295 V296 K300 S301 I302Y294-F298 WeakPolarHBondContact O-CB 3.24Å; Y294-F298 PolarHBondContact O-N 2.93Å; I295-F298 PolarHBondContact O-N 3.18Å; V296-F298 PolarHBondContact O-N 3.2Å; F298-K300 PolarHBondContact O-N 3.46Å; F298-S301 WeakPolarHBondContact O-CB 3.25Å; F298-S301 PolarHBondContact O-N 3.33Å; F298-I302 HydrophobicContact CD1-CD1 4.06Å; F298-I302 HydrophobicContact CD2-CD1 4.19Å; F298-I302 HydrophobicContact CE1-CD1 3.44Å; F298-I302 VanDerWaalsContact CE1-CD1 3.44Å; F298-I302 HydrophobicContact CE2-CD1 3.58Å; F298-I302 HydrophobicContact CG-CD1 4.41Å; F298-I302 HydrophobicContact CZ-CD1 3.18Å; F298-I302 PolarHBondContact O-N 3.35Å
299M90.5Very high92.7Very high80 Ų8073 Ų7339%0.39437%0.372SS..Hα-helixtrans-62-41.2178.7-70.1-59.2-62.900111.9I295 V296 S301 I302 L303I295-M299 HydrophobicContact CG2-CG 4.02Å; I295-M299 WeakPolarHBondContact O-CB 3.18Å; I295-M299 WeakPolarHBondContact O-CG 3.43Å; I295-M299 PolarHBondContact O-N 3.41Å; V296-M299 PolarHBondContact O-N 3.02Å; M299-S301 PolarHBondContact O-N 3.23Å; M299-I302 PolarHBondContact O-N 3.43Å; M299-I302 VanDerWaalsContact O-N 3.14Å; M299-L303 HydrophobicContact CB-CD1 4.19Å; M299-L303 HydrophobicContact CE-CD1 3.82Å; M299-L303 HydrophobicContact CE-CD2 3.97Å; M299-L303 HydrophobicContact CE-CG 3.9Å; M299-L303 WeakPolarHBondContact O-CB 3.45Å; M299-L303 VanDerWaalsContact O-CG 3.29Å; M299-L303 WeakPolarHBondContact O-CG 3.34Å; M299-L303 PolarHBondContact O-N 3.16Å
300K90.1Very high92.6Very high78 Ų7876.8 Ų76.834%0.33940%0.397SS..Hα-helixtrans-54.3-36173-176.9-159.7129.5177.50111.7L201 F202 V296 F298 I302L201-K300 PolarHBondContact O-NZ 3.18Å; F202-K300 HydrophobicContact CB-CD 3.78Å; V296-K300 WeakPolarHBondContact O-CB 3.43Å; V296-K300 PolarHBondContact O-N 2.92Å; F298-K300 PolarHBondContact O-N 3.46Å; K300-I302 VanDerWaalsContact C-N 3.31Å; K300-I302 PolarHBondContact O-N 3.38Å
301S91.7Very high92.4Very high93 Ų9379.6 Ų79.665%0.6541%0.409SS*.Hα-helixtrans-77-16.5-175.6-53.60000113.5T297 F298 M299T297-S301 PolarHBondContact O-N 3.31Å; T297-S301 PolarHBondContact O-OG 2.81Å; F298-S301 WeakPolarHBondContact O-CB 3.25Å; F298-S301 PolarHBondContact O-N 3.33Å; M299-S301 PolarHBondContact O-N 3.23Å
302I93.4Very high92.4Very high110 Ų11074.2 Ų74.256%0.56439%0.389SS*.Hα-helixtrans-112.5-34-175.4-62.7173.3000111.9F298 M299 K300F298-I302 HydrophobicContact CD1-CD1 4.06Å; F298-I302 HydrophobicContact CD2-CD1 4.19Å; F298-I302 HydrophobicContact CE1-CD1 3.44Å; F298-I302 VanDerWaalsContact CE1-CD1 3.44Å; F298-I302 HydrophobicContact CE2-CD1 3.58Å; F298-I302 HydrophobicContact CG-CD1 4.41Å; F298-I302 HydrophobicContact CZ-CD1 3.18Å; F298-I302 PolarHBondContact O-N 3.35Å; M299-I302 PolarHBondContact O-N 3.43Å; M299-I302 VanDerWaalsContact O-N 3.14Å; K300-I302 VanDerWaalsContact C-N 3.31Å; K300-I302 PolarHBondContact O-N 3.38Å
303L92.4Very high92.3Very high53 Ų5378.2 Ų78.228%0.27740%0.398SS..SBendtrans-72.3139.6-175.9-71.1176.5000111.8M299 A307 V308 M311M299-L303 HydrophobicContact CB-CD1 4.19Å; M299-L303 HydrophobicContact CE-CD1 3.82Å; M299-L303 HydrophobicContact CE-CD2 3.97Å; M299-L303 HydrophobicContact CE-CG 3.9Å; M299-L303 WeakPolarHBondContact O-CB 3.45Å; M299-L303 VanDerWaalsContact O-CG 3.29Å; M299-L303 WeakPolarHBondContact O-CG 3.34Å; M299-L303 PolarHBondContact O-N 3.16Å; L303-A307 HydrophobicContact CB-CB 4.25Å; L303-A307 HydrophobicContact CD2-CB 4.24Å; L303-V308 HydrophobicContact CB-CG2 3.83Å; L303-M311 HydrophobicContact CD1-CG 4.49Å
304P95.3Very high92.1Very high88 Ų8883.6 Ų83.657%0.57142%0.422SS*.  trans-64.7154.3169.928.8-34.3000110.6E306 A307 V308P304-E306 VanDerWaalsContact C-N 3.31Å; P304-E306 PolarHBondContact O-N 3.17Å; P304-A307 HydrophobicContact CG-CB 3.84Å; P304-A307 WeakPolarHBondContact O-CA 3.49Å; P304-A307 WeakPolarHBondContact O-CB 3.39Å; P304-A307 PolarHBondContact O-N 3.28Å; P304-V308 PolarHBondContact O-N 3.06Å; P304-V308 VanDerWaalsContact O-N 3.11Å
305F93.2Very high91.9Very high154 Ų15483.3 Ų83.368%0.67542%0.424SS*.Hα-helixtrans-51.4-46.1-174.4-179.1-103.2000113.4A307 V308 V309F305-A307 VanDerWaalsContact C-N 3.29Å; F305-A307 PolarHBondContact O-N 3.04Å; F305-V308 WeakPolarHBondContact O-CA 3.21Å; F305-V308 WeakPolarHBondContact O-CB 3.46Å; F305-V308 PolarHBondContact O-N 2.92Å; F305-V309 HydrophobicContact CD1-CG2 4.02Å; F305-V309 HydrophobicContact CE1-CG2 3.6Å; F305-V309 HydrophobicContact CE2-CG2 4.27Å; F305-V309 HydrophobicContact CZ-CG2 3.74Å; F305-V309 WeakPolarHBondContact O-CG2 3.25Å; F305-V309 PolarHBondContact O-N 3.3Å
306E95.1Very high91.6Very high134 Ų13479.4 Ų79.463%0.62641%0.409SS*.Hα-helixtrans-62.1-34178.9-66.5-54.9141.300113.3P304 V309 C310P304-E306 VanDerWaalsContact C-N 3.31Å; P304-E306 PolarHBondContact O-N 3.17Å; E306-V309 PolarHBondContact O-N 3.45Å; E306-C310 WeakPolarHBondContact O-CB 3.14Å; E306-C310 PolarHBondContact O-N 3.44Å
307A94.3Very high91.4Very high31 Ų3177.9 Ų77.926%0.25640%0.401SS..Hα-helixtrans-69.3-38.7173.800000111L303 P304 F305 C310 M311L303-A307 HydrophobicContact CB-CB 4.25Å; L303-A307 HydrophobicContact CD2-CB 4.24Å; P304-A307 HydrophobicContact CG-CB 3.84Å; P304-A307 WeakPolarHBondContact O-CA 3.49Å; P304-A307 WeakPolarHBondContact O-CB 3.39Å; P304-A307 PolarHBondContact O-N 3.28Å; F305-A307 VanDerWaalsContact C-N 3.29Å; F305-A307 PolarHBondContact O-N 3.04Å; A307-C310 WeakPolarHBondContact O-CB 3.43Å; A307-C310 PolarHBondContact O-N 3.22Å; A307-M311 WeakPolarHBondContact O-CG 3.47Å; A307-M311 PolarHBondContact O-N 2.76Å
308V92.5Very high91.1Very high27 Ų2778.4 Ų78.416%0.16440%0.403CS..Hα-helixtrans-61.7-45.9173.2-179.90000110.6L303 P304 F305 C310 M311 Y312L303-V308 HydrophobicContact CB-CG2 3.83Å; P304-V308 PolarHBondContact O-N 3.06Å; P304-V308 VanDerWaalsContact O-N 3.11Å; F305-V308 WeakPolarHBondContact O-CA 3.21Å; F305-V308 WeakPolarHBondContact O-CB 3.46Å; F305-V308 PolarHBondContact O-N 2.92Å; V308-C310 VanDerWaalsContact C-N 3.33Å; V308-C310 PolarHBondContact O-N 3.03Å; V308-M311 PolarHBondContact O-N 2.68Å; V308-Y312 HydrophobicContact CG1-CD2 3.73Å; V308-Y312 HydrophobicContact CG1-CE2 3.54Å; V308-Y312 WeakPolarHBondContact O-CD2 3.19Å; V308-Y312 PolarHBondContact O-N 3.05Å
309V92.3Very high90.8Very high32 Ų3278.1 Ų78.119%0.19440%0.401CS..Hα-helixtrans-58.5-44.3175.6172.30000111.3F305 E306 M311 Y312 R313F305-V309 HydrophobicContact CD1-CG2 4.02Å; F305-V309 HydrophobicContact CE1-CG2 3.6Å; F305-V309 HydrophobicContact CE2-CG2 4.27Å; F305-V309 HydrophobicContact CZ-CG2 3.74Å; F305-V309 WeakPolarHBondContact O-CG2 3.25Å; F305-V309 PolarHBondContact O-N 3.3Å; E306-V309 PolarHBondContact O-N 3.45Å; V309-M311 PolarHBondContact O-N 2.98Å; V309-Y312 PolarHBondContact O-N 2.99Å; V309-R313 WeakPolarHBondContact O-CG 3.43Å; V309-R313 PolarHBondContact O-N 3.14Å
310C93.3Very high90.7Very high81 Ų8174.8 Ų74.855%0.54739%0.386SS..Hα-helixtrans-58.1-47.6175.6-176.20000111.6E306 A307 V308 Y312 R313 F314E306-C310 WeakPolarHBondContact O-CB 3.14Å; E306-C310 PolarHBondContact O-N 3.44Å; A307-C310 WeakPolarHBondContact O-CB 3.43Å; A307-C310 PolarHBondContact O-N 3.22Å; V308-C310 VanDerWaalsContact C-N 3.33Å; V308-C310 PolarHBondContact O-N 3.03Å; C310-Y312 PolarHBondContact O-N 3Å; C310-R313 PolarHBondContact O-N 2.94Å; C310-F314 WeakPolarHBondContact O-CB 3.4Å; C310-F314 PolarHBondContact O-N 3.19Å
311M90.4Very high90.5Very high90 Ų9071.3 Ų71.344%0.44337%0.371SS..Hα-helixtrans-61.4-43.8176.8-70.1-60.2-64.300112L303 A307 V308 V309 R313 F314 L315L303-M311 HydrophobicContact CD1-CG 4.49Å; A307-M311 WeakPolarHBondContact O-CG 3.47Å; A307-M311 PolarHBondContact O-N 2.76Å; V308-M311 PolarHBondContact O-N 2.68Å; V309-M311 PolarHBondContact O-N 2.98Å; M311-R313 PolarHBondContact O-N 2.75Å; M311-F314 PolarHBondContact O-N 3.07Å; M311-L315 WeakPolarHBondContact O-CB 3.33Å; M311-L315 WeakPolarHBondContact O-CG 3.49Å; M311-L315 PolarHBondContact O-N 3.11Å
312Y90.2Very high90.3Very high42 Ų4271.9 Ų71.917%0.16536%0.36CS..Hα-helixtrans-61.5-45.4179.4-89.8-122.6000112S203 V308 V309 C310 L315 G316 A317S203-Y312 WeakPolarHBondContact O-CE1 3.42Å; S203-Y312 VanDerWaalsContact O-CZ 3.28Å; S203-Y312 PolarHBondContact O-OH 3.02Å; V308-Y312 HydrophobicContact CG1-CD2 3.73Å; V308-Y312 HydrophobicContact CG1-CE2 3.54Å; V308-Y312 WeakPolarHBondContact O-CD2 3.19Å; V308-Y312 PolarHBondContact O-N 3.05Å; V309-Y312 PolarHBondContact O-N 2.99Å; C310-Y312 PolarHBondContact O-N 3Å; Y312-L315 PolarHBondContact O-N 3.11Å; Y312-G316 CarbonylContact O-C 3.59Å; Y312-G316 PolarHBondContact O-N 3.12Å; Y312-A317 HydrophobicContact CD1-CB 3.94Å; Y312-A317 HydrophobicContact CE1-CB 4.44Å; Y312-A317 HydrophobicContact CG-CB 4.22Å; Y312-A317 PolarHBondContact O-N 3.28Å
313R90.3Very high90Very high169 Ų16968.9 Ų68.964%0.63835%0.347SS*.Hα-helixtrans-62.9-43175.7-71.8176.9179.7162.83.4111.9V309 C310 M311 L315 G316V309-R313 WeakPolarHBondContact O-CG 3.43Å; V309-R313 PolarHBondContact O-N 3.14Å; C310-R313 PolarHBondContact O-N 2.94Å; M311-R313 PolarHBondContact O-N 2.75Å; R313-L315 VanDerWaalsContact C-N 3.32Å; R313-L315 PolarHBondContact O-N 2.88Å; R313-G316 PolarHBondContact O-N 3.38Å
314F89.4Confident89.7Confident118 Ų11866.6 Ų66.652%0.51834%0.335SS..Hα-helixtrans-62.1-40.7177.7177.3-100.1000112.2R257 I260 C310 M311 G316R257-F314 VanDerWaalsContact CD-O 3.31Å; R257-F314 WeakPolarHBondContact CD-O 3.38Å; I260-F314 HydrophobicContact CD1-CD1 4.44Å; I260-F314 HydrophobicContact CD1-CE1 4.24Å; C310-F314 WeakPolarHBondContact O-CB 3.4Å; C310-F314 PolarHBondContact O-N 3.19Å; M311-F314 PolarHBondContact O-N 3.07Å; F314-G316 VanDerWaalsContact C-N 3.3Å
315L87.2Confident89.2Confident61 Ų6162.7 Ų62.732%0.31931%0.309SS..Hα-helixtrans-78.5-12.3178.7-62173.9000113.5R257 I260 M311 Y312 R313 A317R257-L315 VanDerWaalsContact CB-O 3.23Å; R257-L315 WeakPolarHBondContact CB-O 3.38Å; R257-L315 PolarHBondContact N-O 3.06Å; I260-L315 HydrophobicContact CD1-CB 4.3Å; I260-L315 HydrophobicContact CD1-CD2 3.49Å; I260-L315 VanDerWaalsContact CD1-CD2 3.49Å; I260-L315 HydrophobicContact CD1-CG 4.41Å; I260-L315 HydrophobicContact CG1-CD2 4.49Å; I260-L315 HydrophobicContact CG2-CD2 4.36Å; M311-L315 WeakPolarHBondContact O-CB 3.33Å; M311-L315 WeakPolarHBondContact O-CG 3.49Å; M311-L315 PolarHBondContact O-N 3.11Å; Y312-L315 PolarHBondContact O-N 3.11Å; R313-L315 VanDerWaalsContact C-N 3.32Å; R313-L315 PolarHBondContact O-N 2.88Å; L315-A317 HydrophobicContact CB-CB 4.24Å; L315-A317 PolarHBondContact O-N 3.23Å
316G86.3Confident88.8Confident18 Ų1857.7 Ų57.719%0.18630%0.296CS..THydrogen-bonded Turntrans65.918.6-168.300000113.2Y312 R313 F314 D318 C320Y312-G316 CarbonylContact O-C 3.59Å; Y312-G316 PolarHBondContact O-N 3.12Å; R313-G316 PolarHBondContact O-N 3.38Å; F314-G316 VanDerWaalsContact C-N 3.3Å; G316-D318 VanDerWaalsContact C-N 3.32Å; G316-C320 WeakPolarHBondContact O-CB 3.33Å; G316-C320 PolarHBondContact O-N 3.47Å
317A87Confident88.2Confident18 Ų1855.5 Ų55.515%0.14929%0.286CS..G310 helixtrans-73.4-26-179.600000111.9T204 Y312 L315 K319 C320T204-A317 PolarHBondContact OG1-O 3.45Å; Y312-A317 HydrophobicContact CD1-CB 3.94Å; Y312-A317 HydrophobicContact CE1-CB 4.44Å; Y312-A317 HydrophobicContact CG-CB 4.22Å; Y312-A317 PolarHBondContact O-N 3.28Å; L315-A317 HydrophobicContact CB-CB 4.24Å; L315-A317 PolarHBondContact O-N 3.23Å; A317-K319 PolarHBondContact O-N 3.06Å; A317-C320 PolarHBondContact O-SG 2.98Å
318D85.6Confident87.6Confident41 Ų4158.9 Ų58.922%0.21929%0.292CS..G310 helixtrans-63.6-25.8177.164.5-39.9000113.7G316G316-D318 VanDerWaalsContact C-N 3.32Å
319K86.9Confident87Confident122 Ų12261.9 Ų61.953%0.5330%0.303SS..G310 helixtrans-122.910-178.8-64177.9-173.6178.40113.6A317 M321 Y322A317-K319 PolarHBondContact O-N 3.06Å; K319-M321 PolarHBondContact O-N 3.05Å; K319-M321 VanDerWaalsContact O-N 3.11Å; K319-Y322 HydrophobicContact CB-CD1 4.32Å; K319-Y322 HydrophobicContact CB-CD2 4.39Å; K319-Y322 HydrophobicContact CB-CG 4.25Å; K319-Y322 HydrophobicContact CG-CD2 4.39Å; K319-Y322 HydrophobicContact CG-CE1 4.43Å; K319-Y322 HydrophobicContact CG-CE2 4.18Å; K319-Y322 WeakPolarHBondContact O-CB 3.41Å; K319-Y322 PolarHBondContact O-N 2.94Å; K319-Y322 VanDerWaalsContact O-N 3.07Å
320C87Confident86.5Confident11 Ų1166.4 Ų66.47%0.07432%0.322CS..THydrogen-bonded Turntrans-62.5-27.1-170.665.90000113.6C254 R255 I256 G316 A317 P323C254-C320 VanDerWaalsContact CA-O 3.28Å; C254-C320 WeakPolarHBondContact CA-O 3.47Å; C254-C320 PolarHBondContact SG-O 3.34Å; R255-C320 PolarHBondContact N-O 3.42Å; R255-C320 WeakPolarHBondContact O-CA 3.32Å; R255-C320 VanDerWaalsContact O-CB 3.3Å; R255-C320 WeakPolarHBondContact O-CB 3.33Å; I256-C320 HydrophobicContact CG2-CB 4.28Å; G316-C320 WeakPolarHBondContact O-CB 3.33Å; G316-C320 PolarHBondContact O-N 3.47Å; A317-C320 PolarHBondContact O-SG 2.98Å; C320-P323 WeakPolarHBondContact O-CD 3.41Å
321M87.5Confident85.8Confident4 Ų464.8 Ų64.82%0.0232%0.315CS..THydrogen-bonded Turntrans-83.7-14.3-179.9-62.5-50.7-64.400114.2T204 V207 F251 C254 K319 F324 I325T204-M321 HydrophobicContact CG2-CG 3.9Å; V207-M321 HydrophobicContact CG1-CB 4.42Å; V207-M321 HydrophobicContact CG1-CE 3.44Å; V207-M321 VanDerWaalsContact CG1-CE 3.44Å; V207-M321 HydrophobicContact CG1-CG 4.03Å; V207-M321 HydrophobicContact CG1-SD 4.43Å; V207-M321 HydrophobicContact CG2-CG 3.92Å; F251-M321 HydrophobicContact CD1-CE 3.46Å; F251-M321 VanDerWaalsContact CD1-CE 3.46Å; F251-M321 HydrophobicContact CD1-SD 4.43Å; F251-M321 HydrophobicContact CE1-CE 3.87Å; C254-M321 HydrophobicContact CB-SD 4.05Å; K319-M321 PolarHBondContact O-N 3.05Å; K319-M321 VanDerWaalsContact O-N 3.11Å; M321-F324 HydrophobicContact CE-CB 4.4Å; M321-F324 HydrophobicContact CE-CD1 3.37Å; M321-F324 HydrophobicContact CE-CE1 3.81Å; M321-F324 HydrophobicContact CE-CG 4.08Å; M321-F324 WeakPolarHBondContact O-CB 3.45Å; M321-F324 PolarHBondContact O-N 2.92Å; M321-F324 VanDerWaalsContact O-N 3.11Å; M321-I325 HydrophobicContact CB-CD1 4.23Å; M321-I325 WeakPolarHBondContact O-CG1 3.5Å; M321-I325 PolarHBondContact O-N 3.18Å
322Y87.3Confident85.1Confident106 Ų10662.8 Ų62.842%0.41631%0.307SS..Hα-helixtrans-61.2-42.9-172.3-76.430.2000112.9H153 K319 F324 I325 A326H153-Y322 AromaticContact CE1-CD1 4Å; H153-Y322 AromaticContact CE1-CE1 3.73Å; K319-Y322 HydrophobicContact CB-CD1 4.32Å; K319-Y322 HydrophobicContact CB-CD2 4.39Å; K319-Y322 HydrophobicContact CB-CG 4.25Å; K319-Y322 HydrophobicContact CG-CD2 4.39Å; K319-Y322 HydrophobicContact CG-CE1 4.43Å; K319-Y322 HydrophobicContact CG-CE2 4.18Å; K319-Y322 WeakPolarHBondContact O-CB 3.41Å; K319-Y322 PolarHBondContact O-N 2.94Å; K319-Y322 VanDerWaalsContact O-N 3.07Å; Y322-F324 VanDerWaalsContact C-N 3.3Å; Y322-F324 PolarHBondContact O-N 3.41Å; Y322-I325 PolarHBondContact O-N 3.11Å; Y322-A326 WeakPolarHBondContact O-CB 3.24Å; Y322-A326 PolarHBondContact O-N 3.37Å
323P85.6Confident84.4Confident47 Ų4764.8 Ų64.831%0.30532%0.321SS..Hα-helixtrans-69.3-29.4178.2-10.324.4000112.6G253 C320 Q327G253-P323 WeakPolarHBondContact O-CB 3.49Å; C320-P323 WeakPolarHBondContact O-CD 3.41Å; P323-Q327 WeakPolarHBondContact O-CG 3.43Å; P323-Q327 PolarHBondContact O-N 3.3Å; P323-Q327 VanDerWaalsContact O-N 3.12Å
324F86.5Confident83.3Confident4 Ų461.6 Ų61.62%0.01832%0.317CS..Hα-helixtrans-65.5-46.9172.3160.7-106.9000111.4V149 M250 R252 M321 Y322 A326 Q327 R328V149-F324 HydrophobicContact CG1-CZ 3.87Å; V149-F324 HydrophobicContact CG2-CE1 4.21Å; V149-F324 HydrophobicContact CG2-CZ 4.27Å; M250-F324 WeakPolarHBondContact O-CE2 3.31Å; R252-F324 WeakPolarHBondContact O-CD2 3.38Å; M321-F324 HydrophobicContact CE-CB 4.4Å; M321-F324 HydrophobicContact CE-CD1 3.37Å; M321-F324 HydrophobicContact CE-CE1 3.81Å; M321-F324 HydrophobicContact CE-CG 4.08Å; M321-F324 WeakPolarHBondContact O-CB 3.45Å; M321-F324 PolarHBondContact O-N 2.92Å; M321-F324 VanDerWaalsContact O-N 3.11Å; Y322-F324 VanDerWaalsContact C-N 3.3Å; Y322-F324 PolarHBondContact O-N 3.41Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.89Å; F324-Q327 PolarHBondContact O-N 3.37Å; F324-R328 HydrophobicContact CD2-CG 4.37Å; F324-R328 HydrophobicContact CE2-CG 3.96Å; F324-R328 HydrophobicContact CZ-CG 4.15Å; F324-R328 PolarHBondContact O-N 2.83Å
325I84.4Confident82.3Confident6 Ų660.3 Ų60.33%0.03132%0.315CS..Hα-helixtrans-62.4-43177.7-62.7164.9000110.5G206 M321 Y322 Q327 R328 K329G206-I325 WeakPolarHBondContact O-CD1 3.43Å; M321-I325 HydrophobicContact CB-CD1 4.23Å; M321-I325 WeakPolarHBondContact O-CG1 3.5Å; M321-I325 PolarHBondContact O-N 3.18Å; Y322-I325 PolarHBondContact O-N 3.11Å; I325-Q327 PolarHBondContact O-N 3.04Å; I325-R328 PolarHBondContact O-N 3.06Å; I325-K329 PolarHBondContact O-N 3.48Å
326A85.6Confident81.5Confident49 Ų4961.9 Ų61.941%0.40532%0.321SS..Hα-helixtrans-60.5-42.1177.300000112.6Y322 F324 K329 Q330Y322-A326 WeakPolarHBondContact O-CB 3.24Å; Y322-A326 PolarHBondContact O-N 3.37Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.89Å; A326-K329 PolarHBondContact O-N 3.14Å; A326-Q330 WeakPolarHBondContact O-CG 3.39Å; A326-Q330 PolarHBondContact O-N 3.13Å; A326-Q330 VanDerWaalsContact O-N 3.11Å
327Q83.2Confident79.7Confident89 Ų8964.9 Ų64.942%0.41634%0.344SS..Hα-helixtrans-64.7-39.4175.4-74.7178.18.100112.2R252 P323 F324 I325 Q330 A331R252-Q327 PolarHBondContact O-OE1 2.81Å; P323-Q327 WeakPolarHBondContact O-CG 3.43Å; P323-Q327 PolarHBondContact O-N 3.3Å; P323-Q327 VanDerWaalsContact O-N 3.12Å; F324-Q327 PolarHBondContact O-N 3.37Å; I325-Q327 PolarHBondContact O-N 3.04Å; Q327-Q330 PolarHBondContact O-N 2.9Å; Q327-A331 PolarHBondContact O-N 3.25Å
328R80.3Confident78.2Confident102 Ų10272.2 Ų72.239%0.38537%0.373SS..Hα-helixtrans-64.3-46.5176.3-78.8-71.4-173.5144.32111.8F324 I325 Q330 A331 T332F324-R328 HydrophobicContact CD2-CG 4.37Å; F324-R328 HydrophobicContact CE2-CG 3.96Å; F324-R328 HydrophobicContact CZ-CG 4.15Å; F324-R328 PolarHBondContact O-N 2.83Å; I325-R328 PolarHBondContact O-N 3.06Å; R328-Q330 VanDerWaalsContact C-N 3.33Å; R328-Q330 PolarHBondContact O-N 3.05Å; R328-A331 WeakPolarHBondContact O-CB 3.37Å; R328-A331 PolarHBondContact O-N 3.04Å; R328-A331 VanDerWaalsContact O-N 3.09Å; R328-T332 PolarHBondContact O-N 3.49Å; R328-T332 PolarHBondContact O-OG1 3.48Å; R328-T332 VanDerWaalsContact O-OG1 3.14Å
329K81.8Confident77.2Confident89 Ų8976.2 Ų76.239%0.38739%0.394SS..Hα-helixtrans-57.6-44.1176.3-168.1168.4-171.1161.30112E156 I325 A326 A331 T332 N333E156-K329 IonicContact OE1-NZ 2.83Å; E156-K329 PolarHBondContact OE1-NZ 2.95Å; E156-K329 IonicContact OE2-NZ 2.81Å; E156-K329 PolarHBondContact OE2-NZ 3.4Å; I325-K329 PolarHBondContact O-N 3.48Å; A326-K329 PolarHBondContact O-N 3.14Å; K329-A331 PolarHBondContact O-N 3.37Å; K329-T332 PolarHBondContact O-N 3.46Å; K329-N333 VanDerWaalsContact O-CG 3.28Å; K329-N333 PolarHBondContact O-N 3.09Å; K329-N333 PolarHBondContact O-OD1 3.46Å
330Q80.2Confident75.2Confident127 Ų12773.6 Ų73.659%0.59340%0.402SS*.Hα-helixtrans-62.5-40.1175-72.4176.4-4.500112.8A326 Q327 R328 N334A326-Q330 WeakPolarHBondContact O-CG 3.39Å; A326-Q330 PolarHBondContact O-N 3.13Å; A326-Q330 VanDerWaalsContact O-N 3.11Å; Q327-Q330 PolarHBondContact O-N 2.9Å; R328-Q330 VanDerWaalsContact C-N 3.33Å; R328-Q330 PolarHBondContact O-N 3.05Å; Q330-N334 WeakPolarHBondContact O-CB 3.49Å; Q330-N334 PolarHBondContact O-N 3.29Å; Q330-N334 PolarHBondContact O-ND2 3.39Å
331A78.8Confident73.3Confident47 Ų4782.2 Ų82.239%0.38845%0.445SS..Hα-helixtrans-66.6-39.7177.700000112.5Q327 R328 K329 N334 N335Q327-A331 PolarHBondContact O-N 3.25Å; R328-A331 WeakPolarHBondContact O-CB 3.37Å; R328-A331 PolarHBondContact O-N 3.04Å; R328-A331 VanDerWaalsContact O-N 3.09Å; K329-A331 PolarHBondContact O-N 3.37Å; A331-N334 PolarHBondContact O-N 2.96Å; A331-N335 PolarHBondContact O-N 3.11Å; A331-N335 VanDerWaalsContact O-N 3.11Å; A331-N335 PolarHBondContact O-ND2 3.5Å
332T75.8Confident72.5Confident48 Ų4886.2 Ų86.229%0.29447%0.467SS..Hα-helixtrans-63.2-51.6175.6-53.70000110.9R328 K329 N334 N335 E336R328-T332 PolarHBondContact O-N 3.49Å; R328-T332 PolarHBondContact O-OG1 3.48Å; R328-T332 VanDerWaalsContact O-OG1 3.14Å; K329-T332 PolarHBondContact O-N 3.46Å; T332-N334 VanDerWaalsContact C-N 3.27Å; T332-N334 PolarHBondContact O-N 2.93Å; T332-N335 WeakPolarHBondContact O-CB 3.29Å; T332-N335 PolarHBondContact O-N 2.99Å; T332-E336 PolarHBondContact O-N 2.91Å
333N74.9Confident71.8Confident85 Ų8585.1 Ų85.146%0.45547%0.469SS..Hα-helixtrans-58.9-38.8178.7-66.711.5000112.3K329 N335 E336 A337K329-N333 VanDerWaalsContact O-CG 3.28Å; K329-N333 PolarHBondContact O-N 3.09Å; K329-N333 PolarHBondContact O-OD1 3.46Å; N333-N335 VanDerWaalsContact C-N 3.32Å; N333-N335 PolarHBondContact O-N 3.26Å; N333-E336 PolarHBondContact O-N 3.3Å; N333-A337 WeakPolarHBondContact O-CB 3.48Å; N333-A337 PolarHBondContact O-N 3.15Å
334N68.9Low71Confident101 Ų10187.2 Ų87.254%0.5448%0.478SS..Hα-helixtrans-67.5-32176.9-73.9-15.6000112.7Q330 A331 T332 K338Q330-N334 WeakPolarHBondContact O-CB 3.49Å; Q330-N334 PolarHBondContact O-N 3.29Å; Q330-N334 PolarHBondContact O-ND2 3.39Å; A331-N334 PolarHBondContact O-N 2.96Å; T332-N334 VanDerWaalsContact C-N 3.27Å; T332-N334 PolarHBondContact O-N 2.93Å; N334-K338 WeakPolarHBondContact O-CB 3.33Å; N334-K338 VanDerWaalsContact O-CG 3.29Å; N334-K338 WeakPolarHBondContact O-CG 3.33Å; N334-K338 PolarHBondContact O-N 3.48Å; N334-K338 VanDerWaalsContact O-N 3.16Å
335N68.1Low70.1Confident92 Ų9292.1 Ų92.149%0.49251%0.505SS..Hα-helixtrans-75.7-39.3175.8-74.7-18000111.5A331 T332 N333 K338 N339A331-N335 PolarHBondContact O-N 3.11Å; A331-N335 VanDerWaalsContact O-N 3.11Å; A331-N335 PolarHBondContact O-ND2 3.5Å; T332-N335 WeakPolarHBondContact O-CB 3.29Å; T332-N335 PolarHBondContact O-N 2.99Å; N333-N335 VanDerWaalsContact C-N 3.32Å; N333-N335 PolarHBondContact O-N 3.26Å; N335-K338 PolarHBondContact O-N 2.93Å; N335-N339 WeakPolarHBondContact O-CB 3.44Å; N335-N339 VanDerWaalsContact O-CG 3.25Å; N335-N339 PolarHBondContact O-N 3.43Å; N335-N339 PolarHBondContact O-ND2 3.47Å
336E69.3Low69.2Low94 Ų9497.5 Ų97.544%0.43954%0.535SS..Hα-helixtrans-61.2-47.3172.9-71173.1174.500111T332 N333 K338 N339 G340 I341T332-E336 PolarHBondContact O-N 2.91Å; N333-E336 PolarHBondContact O-N 3.3Å; E336-K338 VanDerWaalsContact C-N 3.28Å; E336-K338 PolarHBondContact O-N 3.16Å; E336-N339 CarbonylContact O-C 3.58Å; E336-N339 PolarHBondContact O-N 3.46Å; E336-N339 VanDerWaalsContact O-N 3.12Å; E336-G340 PolarHBondContact O-N 3Å; E336-I341 PolarHBondContact O-N 3.12Å
337A49.4Very low68.1Low81 Ų81100.7 Ų100.767%0.66954%0.544SS*.Hα-helixtrans-61.5-3317600000113.4N333N333-A337 WeakPolarHBondContact O-CB 3.48Å; N333-A337 PolarHBondContact O-N 3.15Å
338K55.8Low67Low172 Ų172101.6 Ų101.675%0.74855%0.553SS**Hα-helixtrans-75.8-32.7174.6-80.7178.2179.2-178.20113.2N334 N335 E336 G340N334-K338 WeakPolarHBondContact O-CB 3.33Å; N334-K338 VanDerWaalsContact O-CG 3.29Å; N334-K338 WeakPolarHBondContact O-CG 3.33Å; N334-K338 PolarHBondContact O-N 3.48Å; N334-K338 VanDerWaalsContact O-N 3.16Å; N335-K338 PolarHBondContact O-N 2.93Å; E336-K338 VanDerWaalsContact C-N 3.28Å; E336-K338 PolarHBondContact O-N 3.16Å; K338-G340 VanDerWaalsContact C-N 3.33Å
339N63.3Low66Low124 Ų124101.5 Ų101.566%0.66357%0.566SS**Hα-helixtrans-88-2.6-178.9-68.8-15.3000113N335 E336 I341N335-N339 WeakPolarHBondContact O-CB 3.44Å; N335-N339 VanDerWaalsContact O-CG 3.25Å; N335-N339 PolarHBondContact O-N 3.43Å; N335-N339 PolarHBondContact O-ND2 3.47Å; E336-N339 CarbonylContact O-C 3.58Å; E336-N339 PolarHBondContact O-N 3.46Å; E336-N339 VanDerWaalsContact O-N 3.12Å; N339-I341 PolarHBondContact O-N 3.3Å
340G45.4Very low64.7Low68 Ų68102.6 Ų102.670%0.70158%0.581SS**THydrogen-bonded Turntrans67.831172.200000114.4E336 K338E336-G340 PolarHBondContact O-N 3Å; K338-G340 VanDerWaalsContact C-N 3.33Å
341I46.3Very low63.3Low192 Ų192100.4 Ų100.499%0.98558%0.58SS**  trans-81.50173-58.3177.5000109.8E336 N339E336-I341 PolarHBondContact O-N 3.12Å; N339-I341 PolarHBondContact O-N 3.3Å

Retrieved 341 of 341 residues in 70.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).