G4VDQ6_SCHMA Loading...

Sodium/potassium/calcium exchanger 4

AlphaFold DB , UniProt , Accession G4VDQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 599 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
1M27.6Very low48.1Very low243 Ų243163.6 Ų163.6100%1.19777%0.773SS**  025.80-134.6177.4-167.400113.8
2L34.6Very low49.9Very low167 Ų167159.3 Ų159.387%0.87476%0.757SS**  trans-11440.6-175.9-87.2159000113.1T4L2-T4 PolarHBondContact O-N 2.67Å
3F33Very low51.6Low217 Ų217156 Ų15695%0.95275%0.746SS**  trans-90.277.1164.8-97.7-85.3000109.1
4T45.5Very low53.1Low102 Ų102155 Ų15563%0.62674%0.737SS**  trans-103.797.6163.857.10000109.3L2L2-T4 PolarHBondContact O-N 2.67Å
5K40.8Very low54.6Low199 Ų199152.1 Ų152.187%0.86573%0.727SS**SBendtrans-41.3139.2153.1-89.6173.6168.3174.90108.8
6N45.1Very low55.6Low153 Ų153144.8 Ų144.882%0.81870%0.704SS**  trans79.960.5-176.7-58.6-16.3000115.8S8N6-S8 VanDerWaalsContact C-N 3.29Å; N6-S8 PolarHBondContact O-N 3.5Å
7L49.4Very low56.8Low106 Ų106142.5 Ų142.556%0.55570%0.695SS**  trans-67.192.6154.5-155.278.6000108.3K11 L12L7-K11 HydrophobicContact CD1-CB 4.08Å; L7-K11 HydrophobicContact CD1-CD 3.8Å; L7-K11 HydrophobicContact CG-CB 3.98Å; L7-K11 HydrophobicContact CG-CD 4.44Å; L7-L12 HydrophobicContact CD2-CD1 4.11Å
8S60.1Low57.4Low70 Ų70142.8 Ų142.849%0.4969%0.688SS.*  trans-52139.9177.2168.80000111N6 R10 K11 L12N6-S8 VanDerWaalsContact C-N 3.29Å; N6-S8 PolarHBondContact O-N 3.5Å; S8-R10 CarbonylContact O-C 3.49Å; S8-R10 PolarHBondContact O-N 3.13Å; S8-K11 WeakPolarHBondContact O-CA 3.28Å; S8-K11 WeakPolarHBondContact O-CB 3.48Å; S8-K11 PolarHBondContact O-N 3.31Å; S8-L12 PolarHBondContact O-N 3.46Å
9R63.1Low58.1Low223 Ų223142.6 Ų142.684%0.84269%0.685SS**Hα-helixtrans-44.5-30.8176.5-84.5-178.6171.4-176.5-3.9113.7L12 L13R9-L12 PolarHBondContact O-N 3.17Å; R9-L13 PolarHBondContact O-N 3.25Å
10R62.9Low58.8Low194 Ų194139.8 Ų139.873%0.73268%0.676SS**Hα-helixtrans-60.8-43.8173.7-75.8-174.7176.4178.1-1112.4S8 L12 L13 F14S8-R10 CarbonylContact O-C 3.49Å; S8-R10 PolarHBondContact O-N 3.13Å; R10-L12 VanDerWaalsContact C-N 3.34Å; R10-L12 PolarHBondContact O-N 3.25Å; R10-L13 WeakPolarHBondContact O-CB 3.2Å; R10-L13 PolarHBondContact O-N 3.09Å; R10-F14 WeakPolarHBondContact O-CD2 3.42Å; R10-F14 PolarHBondContact O-N 3.02Å
11K66.8Low59.1Low126 Ų126138.7 Ų138.755%0.54867%0.668SS.*Hα-helixtrans-66.7-34.1177.3-72.2-174.3178-177.70112.2L7 S8 F14 L15L7-K11 HydrophobicContact CD1-CB 4.08Å; L7-K11 HydrophobicContact CD1-CD 3.8Å; L7-K11 HydrophobicContact CG-CB 3.98Å; L7-K11 HydrophobicContact CG-CD 4.44Å; S8-K11 WeakPolarHBondContact O-CA 3.28Å; S8-K11 WeakPolarHBondContact O-CB 3.48Å; S8-K11 PolarHBondContact O-N 3.31Å; K11-F14 PolarHBondContact O-N 2.96Å; K11-L15 WeakPolarHBondContact O-CB 3.27Å; K11-L15 PolarHBondContact O-N 3.48Å
12L70.2Confident61.1Low111 Ų111130 Ų13058%0.58163%0.626SS**Hα-helixtrans-68.7-40.3174.1-153.885.7000111.5L7 S8 R9 R10 L15 G16L7-L12 HydrophobicContact CD2-CD1 4.11Å; S8-L12 PolarHBondContact O-N 3.46Å; R9-L12 PolarHBondContact O-N 3.17Å; R10-L12 VanDerWaalsContact C-N 3.34Å; R10-L12 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 3.23Å; L12-G16 PolarHBondContact O-N 2.85Å
13L72.3Confident62.6Low117 Ų117125.6 Ų125.661%0.61361%0.606SS**Hα-helixtrans-63.1-42.4171.3-105.4157000111.9R9 R10 G16 L17R9-L13 PolarHBondContact O-N 3.25Å; R10-L13 WeakPolarHBondContact O-CB 3.2Å; R10-L13 PolarHBondContact O-N 3.09Å; L13-G16 PolarHBondContact O-N 2.93Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.09Å
14F72.2Confident64.2Low142 Ų142119.6 Ų119.662%0.62359%0.587SS**Hα-helixtrans-65.6-37.7173.8-84.7-69.3000111.8R10 K11 L17 Y18R10-F14 WeakPolarHBondContact O-CD2 3.42Å; R10-F14 PolarHBondContact O-N 3.02Å; K11-F14 PolarHBondContact O-N 2.96Å; F14-L17 PolarHBondContact O-N 3.11Å; F14-Y18 WeakPolarHBondContact O-CA 3.28Å; F14-Y18 WeakPolarHBondContact O-CB 3.22Å; F14-Y18 PolarHBondContact O-N 3.17Å
15L76.2Confident64.9Low112 Ų112120 Ų12059%0.58658%0.58SS**Hα-helixtrans-66.4-40.1174.6-159.779.9000111.1K11 L12 Y18 F19K11-L15 WeakPolarHBondContact O-CB 3.27Å; K11-L15 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 3.23Å; L15-Y18 PolarHBondContact O-N 3.02Å; L15-F19 VanDerWaalsContact O-CB 3.25Å; L15-F19 WeakPolarHBondContact O-CB 3.3Å; L15-F19 PolarHBondContact O-N 3.46Å
16G69.5Low66Low35 Ų35114.9 Ų114.936%0.36156%0.562SS.*Hα-helixtrans-65.3-45.6174.200000112.5L12 L13 Y18 F19 V20L12-G16 PolarHBondContact O-N 2.85Å; L13-G16 PolarHBondContact O-N 2.93Å; G16-Y18 VanDerWaalsContact C-N 3.35Å; G16-F19 PolarHBondContact O-N 3.38Å; G16-V20 VanDerWaalsContact O-CG2 3.29Å; G16-V20 WeakPolarHBondContact O-CG2 3.34Å; G16-V20 PolarHBondContact O-N 2.74Å
17L75.8Confident66.4Low105 Ų105109.6 Ų109.655%0.5554%0.543SS..Hα-helixtrans-66.2-36.6174.6-74.7169.5000112L13 F14 F21L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.09Å; F14-L17 PolarHBondContact O-N 3.11Å; L17-F21 WeakPolarHBondContact O-CB 3.34Å; L17-F21 PolarHBondContact O-N 3.34Å
18Y68.2Low66.8Low148 Ų148107 Ų10758%0.5853%0.533SS*.Hα-helixtrans-70.2-37.2175.7-169.4-104.6000111.4F14 L15 G16 F21 I22F14-Y18 WeakPolarHBondContact O-CA 3.28Å; F14-Y18 WeakPolarHBondContact O-CB 3.22Å; F14-Y18 PolarHBondContact O-N 3.17Å; L15-Y18 PolarHBondContact O-N 3.02Å; G16-Y18 VanDerWaalsContact C-N 3.35Å; Y18-F21 PolarHBondContact O-N 2.86Å; Y18-I22 HydrophobicContact CD1-CD1 3.61Å; Y18-I22 HydrophobicContact CD1-CG1 4.31Å; Y18-I22 HydrophobicContact CE1-CD1 3.3Å; Y18-I22 HydrophobicContact CE1-CG1 4.13Å; Y18-I22 WeakPolarHBondContact O-CB 2.99Å; Y18-I22 VanDerWaalsContact O-CG1 3.3Å; Y18-I22 WeakPolarHBondContact O-CG1 3.47Å; Y18-I22 PolarHBondContact O-N 3.29Å
19F71.4Confident66.4Low140 Ų140112 Ų11261%0.61454%0.542SS*.Hα-helixtrans-64.7-48.5171.8-178.6-99.4000111.1L15 G16 F21 I22 V23L15-F19 VanDerWaalsContact O-CB 3.25Å; L15-F19 WeakPolarHBondContact O-CB 3.3Å; L15-F19 PolarHBondContact O-N 3.46Å; G16-F19 PolarHBondContact O-N 3.38Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 3.38Å; F19-I22 PolarHBondContact O-N 2.96Å; F19-V23 HydrophobicContact CD1-CG2 4.2Å; F19-V23 HydrophobicContact CE1-CG2 3.85Å; F19-V23 HydrophobicContact CE2-CG2 4.31Å; F19-V23 HydrophobicContact CZ-CG2 3.91Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.27Å; F19-V23 PolarHBondContact O-N 2.76Å
20V70.6Confident65.7Low86 Ų86109 Ų10952%0.52153%0.532SS..Hα-helixtrans-55.8-48.6172.6171.60000109.7G16 I22 V23 T24G16-V20 VanDerWaalsContact O-CG2 3.29Å; G16-V20 WeakPolarHBondContact O-CG2 3.34Å; G16-V20 PolarHBondContact O-N 2.74Å; V20-I22 PolarHBondContact O-N 3.5Å; V20-V23 PolarHBondContact O-N 3.5Å; V20-T24 PolarHBondContact O-N 3.4Å; V20-T24 PolarHBondContact O-OG1 3.03Å
21F66.3Low65.2Low116 Ų116105.9 Ų105.951%0.50952%0.524SS..Hα-helixtrans-60.1-41.5177.8-178-98.8000112.8L17 Y18 F19 T24 K25L17-F21 WeakPolarHBondContact O-CB 3.34Å; L17-F21 PolarHBondContact O-N 3.34Å; Y18-F21 PolarHBondContact O-N 2.86Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 3.38Å; F21-T24 PolarHBondContact O-N 3.41Å; F21-K25 HydrophobicContact CE1-CD 4.13Å; F21-K25 HydrophobicContact CE1-CG 4.47Å; F21-K25 HydrophobicContact CZ-CD 4.39Å; F21-K25 WeakPolarHBondContact O-CB 3.33Å; F21-K25 PolarHBondContact O-N 2.78Å
22I70Confident64.3Low61 Ų61107.8 Ų107.831%0.31353%0.527SS..Hα-helixtrans-62.6-48174.8-77.3174.2000110.3Y18 F19 V20 T24 K25 I26Y18-I22 HydrophobicContact CD1-CD1 3.61Å; Y18-I22 HydrophobicContact CD1-CG1 4.31Å; Y18-I22 HydrophobicContact CE1-CD1 3.3Å; Y18-I22 HydrophobicContact CE1-CG1 4.13Å; Y18-I22 WeakPolarHBondContact O-CB 2.99Å; Y18-I22 VanDerWaalsContact O-CG1 3.3Å; Y18-I22 WeakPolarHBondContact O-CG1 3.47Å; Y18-I22 PolarHBondContact O-N 3.29Å; F19-I22 PolarHBondContact O-N 2.96Å; V20-I22 PolarHBondContact O-N 3.5Å; I22-T24 VanDerWaalsContact C-N 3.32Å; I22-T24 PolarHBondContact O-N 2.85Å; I22-K25 PolarHBondContact O-N 3.39Å; I22-K25 VanDerWaalsContact O-N 3.13Å; I22-I26 HydrophobicContact CG2-CD1 3.49Å; I22-I26 VanDerWaalsContact CG2-CD1 3.49Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 WeakPolarHBondContact O-CB 3.49Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.2Å; I22-I26 PolarHBondContact O-N 3.4Å
23V66.1Low63.3Low75 Ų75105.1 Ų105.146%0.45552%0.521SS..Hα-helixtrans-60.3-43.8177.61730000110.2F19 V20 K25 I26 G27F19-V23 HydrophobicContact CD1-CG2 4.2Å; F19-V23 HydrophobicContact CE1-CG2 3.85Å; F19-V23 HydrophobicContact CE2-CG2 4.31Å; F19-V23 HydrophobicContact CZ-CG2 3.91Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.27Å; F19-V23 PolarHBondContact O-N 2.76Å; V20-V23 PolarHBondContact O-N 3.5Å; V23-K25 PolarHBondContact O-N 3.16Å; V23-I26 PolarHBondContact O-N 3.46Å; V23-G27 PolarHBondContact O-N 3.15Å
24T65Low62.1Low90 Ų90102 Ų10255%0.55251%0.513SS*.Hα-helixtrans-65.2-37175.5-380000111.8V20 F21 I22 S28V20-T24 PolarHBondContact O-N 3.4Å; V20-T24 PolarHBondContact O-OG1 3.03Å; F21-T24 PolarHBondContact O-N 3.41Å; I22-T24 VanDerWaalsContact C-N 3.32Å; I22-T24 PolarHBondContact O-N 2.85Å; T24-S28 VanDerWaalsContact O-CB 3.28Å; T24-S28 WeakPolarHBondContact O-CB 3.44Å; T24-S28 PolarHBondContact O-N 2.9Å
25K60.6Low60.7Low110 Ų11098 Ų9848%0.47850%0.502SS..Hα-helixtrans-73-38.6178.4-124.6-159.7-176.8-176.50112.8F21 I22 V23 S28 R29F21-K25 HydrophobicContact CE1-CD 4.13Å; F21-K25 HydrophobicContact CE1-CG 4.47Å; F21-K25 HydrophobicContact CZ-CD 4.39Å; F21-K25 WeakPolarHBondContact O-CB 3.33Å; F21-K25 PolarHBondContact O-N 2.78Å; I22-K25 PolarHBondContact O-N 3.39Å; I22-K25 VanDerWaalsContact O-N 3.13Å; V23-K25 PolarHBondContact O-N 3.16Å; K25-S28 PolarHBondContact O-N 3.18Å; K25-R29 PolarHBondContact O-N 2.81Å
26I65.2Low59.1Low93 Ų9396.2 Ų96.248%0.47750%0.499SS..Hα-helixtrans-64.9-47.1173.6-69.8169.6000108.6I22 V23 S28 R29 Y30I22-I26 HydrophobicContact CG2-CD1 3.49Å; I22-I26 VanDerWaalsContact CG2-CD1 3.49Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 WeakPolarHBondContact O-CB 3.49Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.2Å; I22-I26 PolarHBondContact O-N 3.4Å; V23-I26 PolarHBondContact O-N 3.46Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 2.78Å; I26-R29 PolarHBondContact O-N 3.46Å; I26-R29 VanDerWaalsContact O-N 3.16Å; I26-Y30 HydrophobicContact CG2-CD2 4.13Å; I26-Y30 PolarHBondContact O-N 2.84Å
27G52.3Low58Low41 Ų4198 Ų9842%0.42351%0.506SS..Hα-helixtrans-56.6-43.3172.400000112.6V23 Y30 F31V23-G27 PolarHBondContact O-N 3.15Å; G27-Y30 PolarHBondContact O-N 3.44Å; G27-F31 WeakPolarHBondContact O-CB 3.2Å; G27-F31 PolarHBondContact O-N 3.31Å
28S58Low56.4Low51 Ų5196 Ų9636%0.35750%0.5SS..Hα-helixtrans-68-34.3176.1177.60000113.6T24 K25 I26 R32T24-S28 VanDerWaalsContact O-CB 3.28Å; T24-S28 WeakPolarHBondContact O-CB 3.44Å; T24-S28 PolarHBondContact O-N 2.9Å; K25-S28 PolarHBondContact O-N 3.18Å; I26-S28 VanDerWaalsContact C-N 3.33Å; I26-S28 PolarHBondContact O-N 2.78Å; S28-R32 PolarHBondContact O-N 3.13Å
29R51.6Low54.9Low175 Ų17594.5 Ų94.566%0.6650%0.502SS*.Hα-helixtrans-69.5-42.3173.4-82.4-174.3173.8-176-2111.3K25 I26 F31 R32 A33K25-R29 PolarHBondContact O-N 2.81Å; I26-R29 PolarHBondContact O-N 3.46Å; I26-R29 VanDerWaalsContact O-N 3.16Å; R29-F31 VanDerWaalsContact C-N 3.34Å; R29-R32 PolarHBondContact O-N 2.81Å; R29-A33 PolarHBondContact O-N 2.82Å
30Y48.1Very low53.2Low162 Ų16293.3 Ų93.364%0.63550%0.502SS*.Hα-helixtrans-62.7-41.2172.3-101.1-87.2000111.5I26 G27 R32 A33 A34I26-Y30 HydrophobicContact CG2-CD2 4.13Å; I26-Y30 PolarHBondContact O-N 2.84Å; G27-Y30 PolarHBondContact O-N 3.44Å; Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 3.34Å; Y30-A33 PolarHBondContact O-N 3.4Å; Y30-A33 VanDerWaalsContact O-N 3.15Å; Y30-A34 VanDerWaalsContact O-CB 3.27Å; Y30-A34 WeakPolarHBondContact O-CB 3.34Å; Y30-A34 PolarHBondContact O-N 3.41Å
31F53.2Low51.4Low128 Ų12897 Ų9756%0.56151%0.508SS*.Hα-helixtrans-59.5-41.8174.3-174.4-97.1000112G27 R29 A34 S35G27-F31 WeakPolarHBondContact O-CB 3.2Å; G27-F31 PolarHBondContact O-N 3.31Å; R29-F31 VanDerWaalsContact C-N 3.34Å; F31-A34 PolarHBondContact O-N 2.81Å; F31-S35 WeakPolarHBondContact O-CB 3.14Å; F31-S35 PolarHBondContact O-N 2.75Å
32R47.6Very low49.9Very low166 Ų16698.2 Ų98.263%0.62652%0.515SS*.Hα-helixtrans-66.3-39.1174-99.4-176-75.6-171.4-9.9113S28 R29 Y30 S36S28-R32 PolarHBondContact O-N 3.13Å; R29-R32 PolarHBondContact O-N 2.81Å; Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 3.34Å; R32-S36 PolarHBondContact O-N 2.8Å; R32-S36 VanDerWaalsContact O-N 3.11Å
33A48.2Very low48.1Very low55 Ų55103.2 Ų103.246%0.45554%0.535SS..Hα-helixtrans-66.2-45.5175.600000111.2R29 Y30 S35 S36 S37R29-A33 PolarHBondContact O-N 2.82Å; Y30-A33 PolarHBondContact O-N 3.4Å; Y30-A33 VanDerWaalsContact O-N 3.15Å; A33-S35 PolarHBondContact O-N 3.42Å; A33-S36 PolarHBondContact O-N 3.37Å; A33-S36 VanDerWaalsContact O-N 3.17Å; A33-S36 PolarHBondContact O-OG 3.19Å; A33-S37 PolarHBondContact O-N 3.25Å; A33-S37 VanDerWaalsContact O-N 3.09Å; A33-S37 PolarHBondContact O-OG 3.43Å
34A47.1Very low46.6Very low52 Ų52107.4 Ų107.443%0.4355%0.549SS..Hα-helixtrans-64.2-39.6177.700000112.5Y30 F31 S36 S37 S38Y30-A34 VanDerWaalsContact O-CB 3.27Å; Y30-A34 WeakPolarHBondContact O-CB 3.34Å; Y30-A34 PolarHBondContact O-N 3.41Å; F31-A34 PolarHBondContact O-N 2.81Å; A34-S36 VanDerWaalsContact C-N 3.33Å; A34-S36 PolarHBondContact O-N 3.48Å; A34-S37 VanDerWaalsContact CA-OG 3.28Å; A34-S37 WeakPolarHBondContact CA-OG 3.08Å; A34-S37 PolarHBondContact O-N 3.19Å; A34-S37 PolarHBondContact O-OG 3.05Å; A34-S38 PolarHBondContact O-N 2.99Å
35S43.7Very low44.9Very low57 Ų57108.9 Ų108.940%0.39955%0.552SS.*Hα-helixtrans-64.2-35.4173.2165.80000112.3F31 A33 S38 L39F31-S35 WeakPolarHBondContact O-CB 3.14Å; F31-S35 PolarHBondContact O-N 2.75Å; A33-S35 PolarHBondContact O-N 3.42Å; S35-S38 PolarHBondContact O-N 3.35Å; S35-S38 PolarHBondContact O-OG 3.38Å; S35-L39 PolarHBondContact O-N 3.08Å
36S42.9Very low43.5Very low75 Ų75110.7 Ų110.752%0.52457%0.567SS.*Hα-helixtrans-71-31.317572.30000112.8R32 A33 A34R32-S36 PolarHBondContact O-N 2.8Å; R32-S36 VanDerWaalsContact O-N 3.11Å; A33-S36 PolarHBondContact O-N 3.37Å; A33-S36 VanDerWaalsContact O-N 3.17Å; A33-S36 PolarHBondContact O-OG 3.19Å; A34-S36 VanDerWaalsContact C-N 3.33Å; A34-S36 PolarHBondContact O-N 3.48Å
37S45.7Very low41.8Very low71 Ų71113.5 Ų113.550%0.49758%0.583SS.*Hα-helixtrans-76.2-33.317248.40000113A33 A34 L39 N40 Y41A33-S37 PolarHBondContact O-N 3.25Å; A33-S37 VanDerWaalsContact O-N 3.09Å; A33-S37 PolarHBondContact O-OG 3.43Å; A34-S37 VanDerWaalsContact CA-OG 3.28Å; A34-S37 WeakPolarHBondContact CA-OG 3.08Å; A34-S37 PolarHBondContact O-N 3.19Å; A34-S37 PolarHBondContact O-OG 3.05Å; S37-L39 PolarHBondContact O-N 3.1Å; S37-N40 PolarHBondContact O-N 3.43Å; S37-Y41 PolarHBondContact O-N 3.29Å; S37-Y41 VanDerWaalsContact O-N 3.13Å
38S42.2Very low40.8Very low63 Ų63117.2 Ų117.244%0.44160%0.6SS.*Hα-helixtrans-67.8-35.1178.375.40000112A34 S35 N40 Y41 E42A34-S38 PolarHBondContact O-N 2.99Å; S35-S38 PolarHBondContact O-N 3.35Å; S35-S38 PolarHBondContact O-OG 3.38Å; S38-N40 PolarHBondContact O-N 3.29Å; S38-Y41 WeakPolarHBondContact O-CB 3.08Å; S38-Y41 PolarHBondContact O-N 3.14Å; S38-E42 PolarHBondContact O-N 2.99Å
39L36.7Very low39.2Very low117 Ų117121 Ų12161%0.61362%0.621SS**Hα-helixtrans-65.5-26.7176.1-142.596.9000112.9S35 S37S35-L39 PolarHBondContact O-N 3.08Å; S37-L39 PolarHBondContact O-N 3.1Å
40N36.4Very low38.1Very low115 Ų115118.1 Ų118.162%0.61562%0.622SS**Hα-helixtrans-81.5-25.9171.9-78.9-22.2000112.3S37 S38S37-N40 PolarHBondContact O-N 3.43Å; S38-N40 PolarHBondContact O-N 3.29Å
41Y33.6Very low37.1Very low164 Ų164117 Ų11764%0.64363%0.632SS**Hα-helixtrans-78.4-34.8178.1-165.2-102000112.6S37 S38 K43 H44 L45S37-Y41 PolarHBondContact O-N 3.29Å; S37-Y41 VanDerWaalsContact O-N 3.13Å; S38-Y41 WeakPolarHBondContact O-CB 3.08Å; S38-Y41 PolarHBondContact O-N 3.14Å; Y41-K43 PolarHBondContact O-N 3.12Å; Y41-H44 PolarHBondContact O-N 3.42Å; Y41-L45 HydrophobicContact CD1-CD1 4.14Å; Y41-L45 HydrophobicContact CE1-CD1 3.58Å
42E32.9Very low35.9Very low141 Ų141119 Ų11966%0.65964%0.641SS**THydrogen-bonded Turntrans-62.5-24.2179-145.8173.6179.600112.8S38 H44S38-E42 PolarHBondContact O-N 2.99Å; E42-H44 VanDerWaalsContact C-N 3.32Å; E42-H44 PolarHBondContact O-N 3.33Å
43K33.5Very low34.7Very low167 Ų167118 Ų11873%0.72665%0.648SS**THydrogen-bonded Turntrans-71-21.8172.7-80.8-177.2178.1174.90114.2Y41Y41-K43 PolarHBondContact O-N 3.12Å
44H33.4Very low33.9Very low162 Ų162121.4 Ų121.475%0.7567%0.669SS**THydrogen-bonded Turntrans-90.6-12.3-178.7-85.5-74.6000113.8Y41 E42Y41-H44 PolarHBondContact O-N 3.42Å; E42-H44 VanDerWaalsContact C-N 3.32Å; E42-H44 PolarHBondContact O-N 3.33Å
45L31.1Very low32.8Very low121 Ų121123.2 Ų123.263%0.63468%0.678SS**  trans-86-2.9-177.1-120.292.6000115Y41 N47Y41-L45 HydrophobicContact CD1-CD1 4.14Å; Y41-L45 HydrophobicContact CE1-CD1 3.58Å; L45-N47 PolarHBondContact O-N 3.39Å; L45-N47 VanDerWaalsContact O-N 3.09Å
46L30.6Very low32Very low149 Ų149126.8 Ų126.878%0.7870%0.697SS**  trans-81.327.6-176-86162.6000115.3
47N28.7Very low31.3Very low151 Ų151131.3 Ų131.381%0.80772%0.716SS**  trans-113.1101.1167.5-88-8.2000110.4L45 T49L45-N47 PolarHBondContact O-N 3.39Å; L45-N47 VanDerWaalsContact O-N 3.09Å; N47-T49 PolarHBondContact O-N 3.46Å
48P31.3Very low30.4Very low120 Ų120136.1 Ų136.178%0.77973%0.73SS**  trans-92.295.6-172.634.7-29.8000110.9
49T26Very low29.5Very low130 Ų130141.6 Ų141.680%0.79875%0.754SS**  trans-147.872.4160.4480000110.2N47N47-T49 PolarHBondContact O-N 3.46Å
50V28Very low29.1Very low114 Ų114139.5 Ų139.569%0.69176%0.762SS**  trans-138.391.7159.4-1740000107.7F52V50-F52 HydrophobicContact CG1-CE2 4.25Å; V50-F52 HydrophobicContact CG1-CZ 4.46Å
51T25.8Very low28.5Very low139 Ų139143.3 Ų143.385%0.85378%0.776SS**PPolyproline II helixtrans-88.3121.2166.344.10000108.3
52F28.9Very low28.1Very low170 Ų170147.6 Ų147.675%0.74679%0.791SS**PPolyproline II helixtrans-77.9118.1178.3-73-94.1000110.4V50V50-F52 HydrophobicContact CG1-CE2 4.25Å; V50-F52 HydrophobicContact CG1-CZ 4.46Å
53D23Very low27.9Very low145 Ų145143.6 Ų143.678%0.77579%0.787SS**PPolyproline II helixtrans-103.8121.9171.4-109.7-16.4000110.2S55D53-S55 VanDerWaalsContact C-N 3.28Å; D53-S55 PolarHBondContact O-N 3.41Å; D53-S55 VanDerWaalsContact O-N 3.14Å
54S30.7Very low27.8Very low126 Ų126141.1 Ų141.188%0.88179%0.791SS**  trans-85.641.7-173.260.60000113.8
55S24.4Very low27.6Very low91 Ų91144 Ų14464%0.63680%0.795SS**  trans-115.712.7-167.5600000116.7D53D53-S55 VanDerWaalsContact C-N 3.28Å; D53-S55 PolarHBondContact O-N 3.41Å; D53-S55 VanDerWaalsContact O-N 3.14Å
56V26.9Very low27.7Very low132 Ų132146.6 Ų146.680%0.881%0.806SS**  trans-99.12.1-178.9-173.80000114.6Q58V56-Q58 PolarHBondContact O-N 3.06Å; V56-Q58 VanDerWaalsContact O-N 3.11Å
57D28.2Very low27.7Very low169 Ų169146.7 Ų146.790%0.90481%0.807SS**  trans-86.244.2172.1-81.1-13.7000113.4
58Q25.6Very low28Very low173 Ų173149.3 Ų149.381%0.80881%0.806SS**  trans-146.673.4168.2-70.8-166.53.100110.8V56V56-Q58 PolarHBondContact O-N 3.06Å; V56-Q58 VanDerWaalsContact O-N 3.11Å
59N24.1Very low28.3Very low177 Ų177153.5 Ų153.595%0.94781%0.812SS**  trans-173.593.5149.6-90.3-26000109.8
60G27.8Very low28.7Very low74 Ų74155.1 Ų155.176%0.76382%0.815SS**  trans-18052.4-179.600000113.3R62G60-R62 PolarHBondContact O-N 3.2Å
61E24.8Very low29Very low194 Ų194157.5 Ų157.591%0.90782%0.823SS**  trans-64.297.2167.6-67.3-174.2154.100110.9
62R25.5Very low29.1Very low255 Ų255154 Ų15496%0.96281%0.814SS**  trans176.6121141.9-109.7171.6175.8164.5-0.3112.2G60G60-R62 PolarHBondContact O-N 3.2Å
63G28.4Very low29.4Very low56 Ų56148.8 Ų148.858%0.57779%0.793SS**  trans136.873.2160.700000114.7W65 M66G63-W65 PolarHBondContact O-N 3.03Å; G63-M66 PolarHBondContact O-N 3.27Å
64S31.4Very low29.7Very low115 Ų115149.1 Ų149.180%0.80479%0.79SS**G310 helixtrans-47.9-14.2176.1177.80000115.8
65W27.9Very low30.2Very low224 Ų224146.2 Ų146.285%0.84877%0.767SS**G310 helixtrans-82.7-11.3-178.9-80.779.8000115.5G63G63-W65 PolarHBondContact O-N 3.03Å
66M34.8Very low31Very low174 Ų174144.3 Ų144.386%0.85775%0.751SS**G310 helixtrans-86.8-4.9-176.2-72.2-165.6170.500115.8G63 R68G63-M66 PolarHBondContact O-N 3.27Å; M66-R68 VanDerWaalsContact C-N 3.26Å; M66-R68 PolarHBondContact O-N 2.8Å
67N30.5Very low31.6Very low151 Ų151147.5 Ų147.581%0.80775%0.749SS**G310 helixtrans-82.58.6179.9-79.7-17.1000115K69N67-K69 PolarHBondContact O-N 2.98Å
68R35Very low32.3Very low207 Ų207141.5 Ų141.578%0.78172%0.719SS**  trans-8688.9171.1-72.5-173.4166.9-167.5-3.1110M66 L70M66-R68 VanDerWaalsContact C-N 3.26Å; M66-R68 PolarHBondContact O-N 2.8Å; R68-L70 PolarHBondContact O-N 2.83Å
69K36.4Very low32.9Very low208 Ų208138.7 Ų138.790%0.90471%0.706SS**THydrogen-bonded Turntrans-55.318.2179-78.1-173.1173-176.20117.5N67N67-K69 PolarHBondContact O-N 2.98Å
70L34.4Very low34.1Very low164 Ų164136.4 Ų136.486%0.85970%0.701SS**THydrogen-bonded Turntrans-88.6-17.5-175.8-101.1148.7000114.7R68R68-L70 PolarHBondContact O-N 2.83Å
71L33.9Very low35.2Very low164 Ų164137.7 Ų137.786%0.85970%0.698SS**SBendtrans-13729.8176.7-72169.9000112.7I73L71-I73 VanDerWaalsContact C-N 3.29Å; L71-I73 PolarHBondContact O-N 3.5Å
72G28.7Very low36.5Very low64 Ų64132.7 Ų132.766%0.6668%0.677SS**  trans-7279.9178.800000112Q74G72-Q74 PolarHBondContact O-N 2.87Å; G72-Q74 VanDerWaalsContact O-N 3.13Å
73I35.1Very low38.4Very low62 Ų62126.8 Ų126.832%0.31867%0.665SS.*  trans-64.7107.4158.2-63.4169.5000105.7L71 V75L71-I73 VanDerWaalsContact C-N 3.29Å; L71-I73 PolarHBondContact O-N 3.5Å; I73-V75 HydrophobicContact CG2-CG2 4.09Å; I73-V75 PolarHBondContact O-N 2.85Å; I73-V75 VanDerWaalsContact O-N 3.09Å
74Q29.5Very low40.4Very low152 Ų152125.2 Ų125.271%0.7164%0.644SS**  trans-72.398167.6-77.7-160.7-36.200107.9G72 V76G72-Q74 PolarHBondContact O-N 2.87Å; G72-Q74 VanDerWaalsContact O-N 3.13Å; Q74-V76 PolarHBondContact O-N 2.75Å
75V40.9Very low42.1Very low64 Ų64121.1 Ų121.139%0.38861%0.614SS.*  trans-72.2107167.9-176.30000107I73 R77 I170I73-V75 HydrophobicContact CG2-CG2 4.09Å; I73-V75 PolarHBondContact O-N 2.85Å; I73-V75 VanDerWaalsContact O-N 3.09Å; V75-R77 PolarHBondContact O-N 2.03Å; V75-I170 HydrophobicContact CG2-CG2 4.37Å
76V40.5Very low44Very low52 Ų52112 Ų11232%0.31558%0.584SS.*  trans-73.9109.3171.3178.10000106.1Q74Q74-V76 PolarHBondContact O-N 2.75Å
77R40.7Very low45.7Very low199 Ų199104.3 Ų104.375%0.75155%0.546SS*.PPolyproline II helixtrans-72.9133.4169.6-62.2-160.1-155.8-146.613.1108.6V75V75-R77 PolarHBondContact O-N 2.03Å
78P42.5Very low47.4Very low43 Ų4397.6 Ų97.628%0.27951%0.512SS..PPolyproline II helixtrans-58.5145.4160.325.1-30.8000108.9L82P78-L82 HydrophobicContact CB-CB 4.22Å; P78-L82 HydrophobicContact CB-CD1 4.24Å
79H38.6Very low49.2Very low114 Ų11489 Ų8953%0.52848%0.481SS..PPolyproline II helixtrans-50140.2170.4-105.3-63.1000109S81 L82H79-S81 PolarHBondContact O-N 3.24Å; H79-L82 HydrophobicContact CB-CD1 4.29Å; H79-L82 PolarHBondContact O-N 2.85Å
80P48.9Very low50.8Low129 Ų12981.5 Ų81.584%0.83845%0.449SS*.THydrogen-bonded Turntrans-59.6-6.9179.721.8-32.5000114.6
81S50.4Low52.5Low101 Ų10176.2 Ų76.271%0.70642%0.422SS*.THydrogen-bonded Turntrans-81.5-15.8171.353.50000114.2H79 N83H79-S81 PolarHBondContact O-N 3.24Å; S81-N83 PolarHBondContact O-N 3.2Å
82L52.9Low54.6Low89 Ų8969.5 Ų69.547%0.46639%0.386SS..  trans-92.6102177.5-72.1151.9000108.7P78 H79 C84P78-L82 HydrophobicContact CB-CB 4.22Å; P78-L82 HydrophobicContact CB-CD1 4.24Å; H79-L82 HydrophobicContact CB-CD1 4.29Å; H79-L82 PolarHBondContact O-N 2.85Å; L82-C84 PolarHBondContact O-N 2.86Å
83N65Low57.1Low131 Ų13169.7 Ų69.770%0.70138%0.375SS*.  trans-69.369.2167.4-88.1-9.4000109.5S81 L592S81-N83 PolarHBondContact O-N 3.2Å; N83-L592 HydrophobicContact CB-CD2 3.55Å; N83-L592 VanDerWaalsContact O-CD2 3.22Å; N83-L592 WeakPolarHBondContact O-CD2 3.47Å
84C70.5Confident59.4Low22 Ų2275.6 Ų75.615%0.14939%0.394CS..  trans-139.2156.1-179.664.90000112.6L82 P593 C595L82-C84 PolarHBondContact O-N 2.86Å; C84-P593 CarbonylContact C-O 3.51Å; C84-P593 WeakPolarHBondContact CA-O 3.32Å; C84-P593 WeakPolarHBondContact CB-O 3.4Å; C84-C595 VanDerWaalsContact C-SG 3.52Å; C84-C595 HydrophobicContact CB-CB 3.97Å; C84-C595 WeakPolarHBondContact CB-SG 3.15Å; C84-C595 WeakPolarHBondContact SG-CA 3.35Å; C84-C595 WeakPolarHBondContact SG-CB 3Å; C84-C595 CovalentContact SG-SG 2.03Å; C84-C595 PolarHBondContact SG-SG 3.11Å
85T67.7Low62Low29 Ų2969.9 Ų69.918%0.17837%0.368CS..BIsolated β-bridgetrans-91.3141.4174.949.70000111.7H591 L592 P593 C595T85-H591 WeakPolarHBondContact CG2-NE2 3.49Å; T85-L592 HydrophobicContact CG2-CB 4.2Å; T85-P593 PolarHBondContact N-O 3.2Å; T85-C595 PolarHBondContact O-N 3.36Å; T85-C595 PolarHBondContact O-SG 3.06Å
86P67Low64.2Low33 Ų3373.9 Ų73.921%0.21439%0.386CS..PPolyproline II helixtrans-64.2150.9176.829.3-35.8000110.8I175P86-I175 HydrophobicContact CG-CD1 3.74Å
87L69.5Low66.4Low12 Ų1274.4 Ų74.46%0.06338%0.384CS..PPolyproline II helixtrans-73145.2-177.6-65.4146.6000110.2I89 E90 D465 C595 L597L87-I89 HydrophobicContact CB-CG2 3.9Å; L87-I89 PolarHBondContact O-N 3.46Å; L87-I89 VanDerWaalsContact O-N 3.07Å; L87-E90 HydrophobicContact CB-CG 4.36Å; L87-E90 PolarHBondContact O-N 3.01Å; L87-D465 WeakPolarHBondContact CD2-OD2 3.27Å; L87-C595 WeakPolarHBondContact CD2-O 3.43Å; L87-L597 HydrophobicContact CD1-CB 4.05Å; L87-L597 HydrophobicContact CD1-CD1 3.99Å; L87-L597 HydrophobicContact CD1-CG 3.98Å
88A68.1Low68.6Low10 Ų1068.2 Ų68.28%0.08337%0.369CS..G310 helixtrans-61-25.7-179.200000113.3E90 N91 T455 D465 I473A88-E90 VanDerWaalsContact C-N 3.28Å; A88-E90 PolarHBondContact O-N 3.21Å; A88-N91 WeakPolarHBondContact O-CB 3.44Å; A88-N91 PolarHBondContact O-N 3.17Å; A88-N91 PolarHBondContact O-ND2 3.21Å; A88-T455 HydrophobicContact CB-CG2 4.13Å; A88-D465 PolarHBondContact N-OD1 2.92Å; A88-I473 HydrophobicContact CB-CD1 3.81Å
89I72.6Confident70.6Confident27 Ų2767.1 Ų67.114%0.13836%0.36CS..G310 helixtrans-67.7-25.2178.1-164.9164.5000113.4L87 N91 F92 T455 V456 V459L87-I89 HydrophobicContact CB-CG2 3.9Å; L87-I89 PolarHBondContact O-N 3.46Å; L87-I89 VanDerWaalsContact O-N 3.07Å; I89-N91 PolarHBondContact O-N 3.44Å; I89-F92 PolarHBondContact O-N 3.2Å; I89-T455 HydrophobicContact CB-CG2 4.05Å; I89-V456 HydrophobicContact CD1-CG2 4.21Å; I89-V459 HydrophobicContact CB-CG2 3.99Å; I89-V459 HydrophobicContact CD1-CB 4.19Å; I89-V459 HydrophobicContact CD1-CG1 4.3Å; I89-V459 HydrophobicContact CD1-CG2 4.02Å; I89-V459 HydrophobicContact CG2-CG2 4.26Å
90E69.9Low72.9Confident50 Ų5064.4 Ų64.423%0.23435%0.354CS..G310 helixtrans-73.9-14.8-180-63.1-174.6152.800112.7L87 A88 F92L87-E90 HydrophobicContact CB-CG 4.36Å; L87-E90 PolarHBondContact O-N 3.01Å; A88-E90 VanDerWaalsContact C-N 3.28Å; A88-E90 PolarHBondContact O-N 3.21Å; E90-F92 PolarHBondContact O-N 3.14Å
91N69.2Low74.9Confident53 Ų5362.7 Ų62.728%0.28333%0.334SS..G310 helixtrans-73-17.8173.8-62.5-39.9000112.8A88 I89A88-N91 WeakPolarHBondContact O-CB 3.44Å; A88-N91 PolarHBondContact O-N 3.17Å; A88-N91 PolarHBondContact O-ND2 3.21Å; I89-N91 PolarHBondContact O-N 3.44Å
92F78.6Confident76.8Confident23 Ų2358.5 Ų58.510%0.10130%0.303CS..SBendtrans-109.6161.7-179.3-63.2-78.5000110.9I89 E90 V448 M451 W452 T455I89-F92 PolarHBondContact O-N 3.2Å; E90-F92 PolarHBondContact O-N 3.14Å; F92-V448 HydrophobicContact CE1-CG1 4.46Å; F92-M451 HydrophobicContact CE1-CB 4.33Å; F92-M451 HydrophobicContact CZ-CB 3.94Å; F92-W452 HydrophobicContact CB-CB 4.26Å; F92-W452 HydrophobicContact CB-CD2 4.47Å; F92-W452 HydrophobicContact CB-CG 3.76Å; F92-W452 HydrophobicContact CD1-CB 3.56Å; F92-W452 AromaticContact CD1-CG 3.99Å; F92-W452 HydrophobicContact CD1-CG 3.99Å; F92-W452 HydrophobicContact CE1-CB 3.99Å; F92-W452 HydrophobicContact CG-CB 3.9Å; F92-W452 AromaticContact CG-CD1 3.66Å; F92-W452 AromaticContact CG-CG 3.94Å; F92-W452 HydrophobicContact CG-CG 3.94Å; F92-T455 HydrophobicContact CD2-CG2 4.3Å; F92-T455 HydrophobicContact CE2-CG2 4.35Å; F92-T455 WeakPolarHBondContact CE2-OG1 3.22Å
93P81.5Confident78.5Confident68 Ų6859.3 Ų59.344%0.44230%0.304SS..PPolyproline II helixtrans-53.9147171.7-24.234.6000111.8D95 W452P93-D95 PolarHBondContact O-N 2.8Å; P93-W452 HydrophobicContact CB-CH2 4.14Å; P93-W452 HydrophobicContact CB-CZ2 3.92Å; P93-W452 VanDerWaalsContact O-CE2 3.26Å; P93-W452 VanDerWaalsContact O-CZ2 3.23Å; P93-W452 WeakPolarHBondContact O-CZ2 3.38Å; P93-W452 PolarHBondContact O-NE1 3.01Å
94R81.9Confident79.6Confident187 Ų18762.9 Ų62.971%0.70631%0.309SS*.PPolyproline II helixtrans-59.4136.8177.1-67.8-171.4-179.1-172.80.9110.4
95D85.5Confident80.6Confident31 Ų3163.2 Ų63.217%0.16632%0.316CS..PPolyproline II helixtrans-67.7151.4175.7-176.124.8000111.1P93 F97 R102 H110 V456P93-D95 PolarHBondContact O-N 2.8Å; D95-F97 VanDerWaalsContact C-N 3.32Å; D95-F97 PolarHBondContact OD1-N 2.81Å; D95-R102 WeakPolarHBondContact OD2-CD 3.03Å; D95-R102 IonicContact OD2-CZ 3.75Å; D95-R102 IonicContact OD2-NE 3.97Å; D95-R102 IonicContact OD2-NH1 2.77Å; D95-R102 PolarHBondContact OD2-NH1 2.82Å; D95-H110 VanDerWaalsContact CG-NE2 3.34Å; D95-H110 IonicContact OD1-CE1 3.69Å; D95-H110 IonicContact OD1-NE2 3.41Å; D95-H110 PolarHBondContact OD1-NE2 3.06Å; D95-H110 VanDerWaalsContact OD1-NE2 3.1Å; D95-H110 IonicContact OD2-CE1 3.41Å; D95-H110 PolarHBondContact OD2-CE1 3.45Å; D95-H110 IonicContact OD2-NE2 3.07Å; D95-H110 PolarHBondContact OD2-NE2 3.31Å; D95-V456 HydrophobicContact CB-CG2 4.36Å
96I86.1Confident81.7Confident149 Ų14962.7 Ų62.776%0.76432%0.315SS*.SBendtrans-72.9-31.2177.4-56.1169.7000110.2
97F88.2Confident83Confident62 Ų6262.7 Ų62.727%0.27231%0.314SS..SBendtrans-94.7146.7-179.6-59.2-77.9000111.5D95 Q101 R102 A106 I109 H110D95-F97 VanDerWaalsContact C-N 3.32Å; D95-F97 PolarHBondContact OD1-N 2.81Å; F97-Q101 HydrophobicContact CB-CB 4.24Å; F97-Q101 HydrophobicContact CD1-CB 4.44Å; F97-R102 HydrophobicContact CB-CG 3.96Å; F97-R102 PolarHBondContact O-NH1 2.79Å; F97-A106 HydrophobicContact CB-CB 4.38Å; F97-A106 HydrophobicContact CD1-CB 3.83Å; F97-A106 HydrophobicContact CD2-CB 4.35Å; F97-A106 HydrophobicContact CE1-CB 4.18Å; F97-A106 HydrophobicContact CG-CB 3.92Å; F97-I109 HydrophobicContact CE2-CD1 4Å; F97-I109 HydrophobicContact CZ-CD1 3.67Å; F97-H110 AromaticContact CD2-CE1 3.69Å
98T86.5Confident84.1Confident70 Ų7067.3 Ų67.343%0.42934%0.338SS..  trans-78.3163.1171.564.80000111.2S100 Q101 R102T98-S100 VanDerWaalsContact C-N 3.27Å; T98-S100 PolarHBondContact O-N 2.97Å; T98-S100 PolarHBondContact OG1-OG 3.49Å; T98-S100 VanDerWaalsContact OG1-OG 3.08Å; T98-Q101 VanDerWaalsContact N-OE1 3.1Å; T98-Q101 PolarHBondContact O-N 3.5Å; T98-Q101 VanDerWaalsContact O-N 3.14Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.31Å; T98-Q101 PolarHBondContact OG1-N 3.06Å; T98-R102 WeakPolarHBondContact O-CG 3.09Å; T98-R102 PolarHBondContact O-N 2.76Å
99Q84.7Confident85.4Confident20 Ų2071 Ų719%0.09336%0.355CS..Hα-helixtrans-56.3-41.5177.7-178.967.4-900112.2R102 Q103 V459Q99-R102 PolarHBondContact O-N 2.85Å; Q99-Q103 WeakPolarHBondContact O-CG 3.25Å; Q99-Q103 PolarHBondContact O-N 3.2Å; Q99-Q103 VanDerWaalsContact O-N 3.1Å; Q99-V459 PolarHBondContact NE2-O 3.34Å
100S86Confident86.4Confident57 Ų5769.9 Ų69.940%0.39935%0.349SS..Hα-helixtrans-62.5-4717656.10000111.9T98 R102 Q103 Y104T98-S100 VanDerWaalsContact C-N 3.27Å; T98-S100 PolarHBondContact O-N 2.97Å; T98-S100 PolarHBondContact OG1-OG 3.49Å; T98-S100 VanDerWaalsContact OG1-OG 3.08Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact O-N 3.41Å; S100-Q103 PolarHBondContact O-N 2.78Å; S100-Y104 WeakPolarHBondContact O-CD2 3.46Å; S100-Y104 PolarHBondContact O-N 3.18Å
101Q90.2Very high87.6Confident93 Ų9371.7 Ų71.744%0.43536%0.36SS..Hα-helixtrans-60.7-38.4177.8-71.9173.7-18.800112.7F97 T98 Y104 G105 A106F97-Q101 HydrophobicContact CB-CB 4.24Å; F97-Q101 HydrophobicContact CD1-CB 4.44Å; T98-Q101 VanDerWaalsContact N-OE1 3.1Å; T98-Q101 PolarHBondContact O-N 3.5Å; T98-Q101 VanDerWaalsContact O-N 3.14Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.31Å; T98-Q101 PolarHBondContact OG1-N 3.06Å; Q101-Y104 PolarHBondContact O-N 3.23Å; Q101-G105 PolarHBondContact O-N 3.41Å; Q101-A106 VanDerWaalsContact O-CB 3.27Å; Q101-A106 WeakPolarHBondContact O-CB 3.42Å; Q101-A106 PolarHBondContact O-N 3.05Å; Q101-A106 VanDerWaalsContact O-N 3.12Å
102R90.6Very high88.8Confident13 Ų1372.6 Ų72.65%0.04937%0.368CS..Iπ-helixtrans-62.5-45.1175-69.7-167.8-66.7-93.40.3112.1D95 F97 T98 Q99 S100 Y104 G105 A106 V107 T460D95-R102 WeakPolarHBondContact OD2-CD 3.03Å; D95-R102 IonicContact OD2-CZ 3.75Å; D95-R102 IonicContact OD2-NE 3.97Å; D95-R102 IonicContact OD2-NH1 2.77Å; D95-R102 PolarHBondContact OD2-NH1 2.82Å; F97-R102 HydrophobicContact CB-CG 3.96Å; F97-R102 PolarHBondContact O-NH1 2.79Å; T98-R102 WeakPolarHBondContact O-CG 3.09Å; T98-R102 PolarHBondContact O-N 2.76Å; Q99-R102 PolarHBondContact O-N 2.85Å; S100-R102 VanDerWaalsContact C-N 3.31Å; S100-R102 PolarHBondContact O-N 3.41Å; R102-Y104 VanDerWaalsContact C-N 3.3Å; R102-Y104 PolarHBondContact O-N 3.03Å; R102-G105 PolarHBondContact O-N 2.72Å; R102-A106 PolarHBondContact O-N 3.49Å; R102-V107 PolarHBondContact O-N 3.32Å; R102-T460 HydrophobicContact CB-CG2 3.79Å; R102-T460 VanDerWaalsContact CD-OG1 3.29Å; R102-T460 WeakPolarHBondContact CD-OG1 3.41Å; R102-T460 PolarHBondContact NE-OG1 2.92Å
103Q88.4Confident89.6Confident105 Ų10573.5 Ų73.549%0.49138%0.375SS..Iπ-helixtrans-63.8-33.6176.8-69.7173.70.500112.7Q99 S100 G105 T460 H462Q99-Q103 WeakPolarHBondContact O-CG 3.25Å; Q99-Q103 PolarHBondContact O-N 3.2Å; Q99-Q103 VanDerWaalsContact O-N 3.1Å; S100-Q103 PolarHBondContact O-N 2.78Å; Q103-G105 PolarHBondContact O-N 2.77Å; Q103-T460 HydrophobicContact CG-CG2 4.16Å; Q103-H462 PolarHBondContact NE2-CE1 3.02Å
104Y89.9Confident90.2Very high207 Ų20770.9 Ų70.981%0.81236%0.358SS*.Iπ-helixtrans-74.41.3173.4-73.4-65.7000114.4S100 Q101 R102S100-Y104 WeakPolarHBondContact O-CD2 3.46Å; S100-Y104 PolarHBondContact O-N 3.18Å; Q101-Y104 PolarHBondContact O-N 3.23Å; R102-Y104 VanDerWaalsContact C-N 3.3Å; R102-Y104 PolarHBondContact O-N 3.03Å
105G90.6Very high90.7Very high28 Ų2866.2 Ų66.229%0.28935%0.346SS..Iπ-helixtrans123-7.2170.600000115.4Q101 R102 Q103 V107 I108Q101-G105 PolarHBondContact O-N 3.41Å; R102-G105 PolarHBondContact O-N 2.72Å; Q103-G105 PolarHBondContact O-N 2.77Å; G105-V107 PolarHBondContact O-N 3.19Å; G105-V107 VanDerWaalsContact O-N 3.08Å; G105-I108 WeakPolarHBondContact O-CB 3.29Å; G105-I108 WeakPolarHBondContact O-CG1 3.49Å; G105-I108 PolarHBondContact O-N 3.09Å
106A91.6Very high91.1Very high18 Ų1866.4 Ų66.415%0.14935%0.345CS..Iπ-helixtrans-63.1-15.8175.800000112.8F97 Q101 R102 I108 I109 H110F97-A106 HydrophobicContact CB-CB 4.38Å; F97-A106 HydrophobicContact CD1-CB 3.83Å; F97-A106 HydrophobicContact CD2-CB 4.35Å; F97-A106 HydrophobicContact CE1-CB 4.18Å; F97-A106 HydrophobicContact CG-CB 3.92Å; Q101-A106 VanDerWaalsContact O-CB 3.27Å; Q101-A106 WeakPolarHBondContact O-CB 3.42Å; Q101-A106 PolarHBondContact O-N 3.05Å; Q101-A106 VanDerWaalsContact O-N 3.12Å; R102-A106 PolarHBondContact O-N 3.49Å; A106-I108 PolarHBondContact O-N 3.45Å; A106-I108 VanDerWaalsContact O-N 3.17Å; A106-I109 WeakPolarHBondContact O-CB 3.49Å; A106-I109 PolarHBondContact O-N 3.17Å; A106-I109 VanDerWaalsContact O-N 3.09Å; A106-H110 PolarHBondContact O-ND1 3.08Å
107V93Very high91.5Very high33 Ų3360.5 Ų60.520%0.231%0.314CS..Hα-helixtrans-57.3-25.4170.672.50000113.3R102 G105 I109 H110 L111 I457 T460R102-V107 PolarHBondContact O-N 3.32Å; G105-V107 PolarHBondContact O-N 3.19Å; G105-V107 VanDerWaalsContact O-N 3.08Å; V107-I109 VanDerWaalsContact C-N 3.26Å; V107-I109 PolarHBondContact O-N 3.34Å; V107-H110 WeakPolarHBondContact O-CB 3.11Å; V107-H110 PolarHBondContact O-N 3.08Å; V107-L111 PolarHBondContact O-N 3.18Å; V107-L111 VanDerWaalsContact O-N 3.08Å; V107-I457 HydrophobicContact CG2-CB 4.39Å; V107-I457 HydrophobicContact CG2-CG1 3.95Å; V107-I457 HydrophobicContact CG2-CG2 4.39Å; V107-T460 HydrophobicContact CB-CG2 4.1Å; V107-T460 HydrophobicContact CG2-CG2 4.02Å
108I93.8Very high91.8Very high109 Ų10962.2 Ų62.256%0.55932%0.322SS*.Hα-helixtrans-62.2-35.5176.9-63.9172.3000111G105 A106 H110 L111 V112G105-I108 WeakPolarHBondContact O-CB 3.29Å; G105-I108 WeakPolarHBondContact O-CG1 3.49Å; G105-I108 PolarHBondContact O-N 3.09Å; A106-I108 PolarHBondContact O-N 3.45Å; A106-I108 VanDerWaalsContact O-N 3.17Å; I108-H110 VanDerWaalsContact C-N 3.34Å; I108-H110 PolarHBondContact O-N 3.03Å; I108-L111 PolarHBondContact O-N 3.08Å; I108-V112 HydrophobicContact CG2-CG2 4.4Å; I108-V112 WeakPolarHBondContact O-CG2 3.38Å; I108-V112 PolarHBondContact O-N 3.03Å
109I94.4Very high92.1Very high87 Ų8760.8 Ų60.845%0.44631%0.311SS..Hα-helixtrans-61.8-46.1177.1-62.2172.8000109.7F97 A106 V107 L111 V112 V113F97-I109 HydrophobicContact CE2-CD1 4Å; F97-I109 HydrophobicContact CZ-CD1 3.67Å; A106-I109 WeakPolarHBondContact O-CB 3.49Å; A106-I109 PolarHBondContact O-N 3.17Å; A106-I109 VanDerWaalsContact O-N 3.09Å; V107-I109 VanDerWaalsContact C-N 3.26Å; V107-I109 PolarHBondContact O-N 3.34Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.42Å; I109-V112 PolarHBondContact O-N 3.27Å; I109-V113 HydrophobicContact CG2-CG2 4.41Å; I109-V113 WeakPolarHBondContact O-CG2 3.44Å; I109-V113 PolarHBondContact O-N 3.2Å
110H94.5Very high92.5Very high4 Ų459.8 Ų59.82%0.01931%0.307CS..Hα-helixtrans-59.9-41.9177.2-6183.8000112D95 F97 A106 V107 I108 V113 S114 M453 V456 I457D95-H110 VanDerWaalsContact CG-NE2 3.34Å; D95-H110 IonicContact OD1-CE1 3.69Å; D95-H110 IonicContact OD1-NE2 3.41Å; D95-H110 PolarHBondContact OD1-NE2 3.06Å; D95-H110 VanDerWaalsContact OD1-NE2 3.1Å; D95-H110 IonicContact OD2-CE1 3.41Å; D95-H110 PolarHBondContact OD2-CE1 3.45Å; D95-H110 IonicContact OD2-NE2 3.07Å; D95-H110 PolarHBondContact OD2-NE2 3.31Å; F97-H110 AromaticContact CD2-CE1 3.69Å; A106-H110 PolarHBondContact O-ND1 3.08Å; V107-H110 WeakPolarHBondContact O-CB 3.11Å; V107-H110 PolarHBondContact O-N 3.08Å; I108-H110 VanDerWaalsContact C-N 3.34Å; I108-H110 PolarHBondContact O-N 3.03Å; H110-V113 PolarHBondContact O-N 2.82Å; H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 3.34Å; H110-M453 HydrophobicContact CB-SD 4.25Å; H110-M453 VanDerWaalsContact CD2-SD 3.53Å; H110-V456 VanDerWaalsContact CD2-CG1 3.44Å; H110-V456 WeakPolarHBondContact CD2-CG1 3.36Å; H110-V456 WeakPolarHBondContact NE2-CG1 3.38Å; H110-I457 HydrophobicContact CB-CD1 4.21Å; H110-I457 HydrophobicContact CB-CG1 3.87Å
111L94.4Very high92.9Very high89 Ų8957.1 Ų57.147%0.46629%0.288SS..Hα-helixtrans-63-43.6175.8-17864.9000111.8V107 I108 I109 S114 I115 I457V107-L111 PolarHBondContact O-N 3.18Å; V107-L111 VanDerWaalsContact O-N 3.08Å; I108-L111 PolarHBondContact O-N 3.08Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-L111 PolarHBondContact O-N 3.42Å; L111-S114 PolarHBondContact O-N 2.97Å; L111-I115 HydrophobicContact CD1-CD1 4.12Å; L111-I115 HydrophobicContact CD1-CG1 4.49Å; L111-I115 HydrophobicContact CG-CD1 4.03Å; L111-I115 VanDerWaalsContact O-CG1 3.32Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 2.73Å; L111-I457 HydrophobicContact CB-CD1 4.28Å; L111-I457 HydrophobicContact CD1-CD1 4.37Å
112V94.3Very high93Very high72 Ų7254.2 Ų54.244%0.43628%0.279SS..Hα-helixtrans-63.6-43.7177.4170.90000111I108 I109 I115 Y116 F405I108-V112 HydrophobicContact CG2-CG2 4.4Å; I108-V112 WeakPolarHBondContact O-CG2 3.38Å; I108-V112 PolarHBondContact O-N 3.03Å; I109-V112 PolarHBondContact O-N 3.27Å; V112-I115 PolarHBondContact O-N 2.93Å; V112-Y116 VanDerWaalsContact O-CB 3.3Å; V112-Y116 WeakPolarHBondContact O-CB 3.49Å; V112-Y116 PolarHBondContact O-N 2.89Å; V112-F405 HydrophobicContact CG1-CZ 4.39Å
113V94.9Very high93Very high42 Ų4254.9 Ų54.926%0.25528%0.284SS..Hα-helixtrans-64.8-44.2177177.30000110.9I109 H110 I115 Y116 M117 I449 M453I109-V113 HydrophobicContact CG2-CG2 4.41Å; I109-V113 WeakPolarHBondContact O-CG2 3.44Å; I109-V113 PolarHBondContact O-N 3.2Å; H110-V113 PolarHBondContact O-N 2.82Å; V113-I115 PolarHBondContact O-N 3.21Å; V113-Y116 WeakPolarHBondContact O-CB 3.31Å; V113-Y116 PolarHBondContact O-N 2.57Å; V113-M117 HydrophobicContact CG1-CE 4.13Å; V113-M117 HydrophobicContact CG1-CG 4.37Å; V113-M117 WeakPolarHBondContact O-CG 3.34Å; V113-M117 PolarHBondContact O-N 3.38Å; V113-I449 HydrophobicContact CG1-CG2 4.19Å; V113-M453 HydrophobicContact CB-CG 3.94Å; V113-M453 HydrophobicContact CB-SD 4.04Å; V113-M453 HydrophobicContact CG1-CG 3.63Å; V113-M453 HydrophobicContact CG1-SD 3.94Å
114S94Very high93.4Very high13 Ų1349.9 Ų49.99%0.09126%0.261CS..Hα-helixtrans-58-48.1176.6178.50000111.9H110 L111 Y116 M117 F118 I454H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 3.34Å; L111-S114 PolarHBondContact O-N 2.97Å; S114-Y116 VanDerWaalsContact C-N 3.33Å; S114-Y116 PolarHBondContact O-N 3.41Å; S114-M117 PolarHBondContact O-N 2.98Å; S114-F118 WeakPolarHBondContact O-CB 3.35Å; S114-F118 PolarHBondContact O-N 2.97Å; S114-I454 WeakPolarHBondContact OG-CG1 3.29Å
115I93.3Very high93.6Very high88 Ų8840 Ų4045%0.45122%0.222SC..Hα-helixtrans-63.8-39.2176.5-67.4168.5000111.2L111 V112 V113 F118 I119L111-I115 HydrophobicContact CD1-CD1 4.12Å; L111-I115 HydrophobicContact CD1-CG1 4.49Å; L111-I115 HydrophobicContact CG-CD1 4.03Å; L111-I115 VanDerWaalsContact O-CG1 3.32Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 2.73Å; V112-I115 PolarHBondContact O-N 2.93Å; V113-I115 PolarHBondContact O-N 3.21Å; I115-F118 PolarHBondContact O-N 2.81Å; I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.37Å; I115-I119 PolarHBondContact O-N 3.04Å
116Y94.3Very high93.6Very high36 Ų3641.7 Ų41.714%0.14122%0.224CC..Hα-helixtrans-61.4-45.3176.9-176.5-103.8000111.8V112 V113 S114 I119 G120 F405 L406 L409V112-Y116 VanDerWaalsContact O-CB 3.3Å; V112-Y116 WeakPolarHBondContact O-CB 3.49Å; V112-Y116 PolarHBondContact O-N 2.89Å; V113-Y116 WeakPolarHBondContact O-CB 3.31Å; V113-Y116 PolarHBondContact O-N 2.57Å; S114-Y116 VanDerWaalsContact C-N 3.33Å; S114-Y116 PolarHBondContact O-N 3.41Å; Y116-I119 PolarHBondContact O-N 3.26Å; Y116-G120 PolarHBondContact O-N 2.93Å; Y116-F405 HydrophobicContact CD2-CD1 4Å; Y116-F405 AromaticContact CD2-CE1 3.32Å; Y116-F405 HydrophobicContact CD2-CE1 3.32Å; Y116-F405 HydrophobicContact CD2-CE2 4.15Å; Y116-F405 AromaticContact CD2-CZ 3.38Å; Y116-F405 HydrophobicContact CD2-CZ 3.38Å; Y116-F405 HydrophobicContact CE2-CD1 4.15Å; Y116-F405 AromaticContact CE2-CE1 3.89Å; Y116-F405 HydrophobicContact CE2-CE1 3.89Å; Y116-F405 HydrophobicContact CE2-CE2 4.29Å; Y116-F405 AromaticContact CE2-CZ 3.94Å; Y116-F405 HydrophobicContact CE2-CZ 3.94Å; Y116-F405 WeakPolarHBondContact CE2-O 3.44Å; Y116-F405 HydrophobicContact CG-CE1 4.35Å; Y116-F405 HydrophobicContact CG-CZ 4.17Å; Y116-L406 HydrophobicContact CD2-CD2 4.11Å; Y116-L406 HydrophobicContact CE2-CD2 3.9Å; Y116-L409 HydrophobicContact CE1-CB 4.42Å; Y116-L409 HydrophobicContact CE1-CD1 4.17Å; Y116-L409 WeakPolarHBondContact OH-CB 3.45Å
117M94.9Very high93.5Very high25 Ų2542.3 Ų42.312%0.12323%0.225CC..Hα-helixtrans-67.1-39.1176.8-63.2-52.7161.300112.1V113 S114 I119 G120 L121 F446 I449 M450V113-M117 HydrophobicContact CG1-CE 4.13Å; V113-M117 HydrophobicContact CG1-CG 4.37Å; V113-M117 WeakPolarHBondContact O-CG 3.34Å; V113-M117 PolarHBondContact O-N 3.38Å; S114-M117 PolarHBondContact O-N 2.98Å; M117-I119 PolarHBondContact O-N 3.21Å; M117-G120 PolarHBondContact O-N 3.12Å; M117-G120 VanDerWaalsContact O-N 3.16Å; M117-L121 WeakPolarHBondContact O-CB 3.26Å; M117-L121 PolarHBondContact O-N 3.21Å; M117-F446 HydrophobicContact SD-CD1 3.98Å; M117-I449 HydrophobicContact CE-CD1 4.34Å; M117-I449 HydrophobicContact CE-CG2 3.95Å; M117-I449 HydrophobicContact CG-CB 4.2Å; M117-I449 HydrophobicContact CG-CG2 3.87Å; M117-I449 HydrophobicContact SD-CG2 4.35Å; M117-M450 HydrophobicContact CB-CB 3.93Å
118F94.5Very high93.5Very high97 Ų9741.4 Ų41.443%0.42522%0.218SC..Hα-helixtrans-59.3-46174.1-179.5-86.7000112.1S114 I115 G120 L121 A122 M450 V479 I483S114-F118 WeakPolarHBondContact O-CB 3.35Å; S114-F118 PolarHBondContact O-N 2.97Å; I115-F118 PolarHBondContact O-N 2.81Å; F118-G120 VanDerWaalsContact C-N 3.3Å; F118-G120 PolarHBondContact O-N 3.5Å; F118-L121 PolarHBondContact O-N 3.07Å; F118-A122 PolarHBondContact O-N 2.88Å; F118-M450 HydrophobicContact CB-SD 4.13Å; F118-M450 HydrophobicContact CD2-SD 4.21Å; F118-V479 HydrophobicContact CD2-CG1 3.63Å; F118-V479 HydrophobicContact CE2-CG1 3.49Å; F118-V479 VanDerWaalsContact CE2-CG1 3.49Å; F118-I483 HydrophobicContact CD2-CD1 4.49Å; F118-I483 HydrophobicContact CE2-CD1 4.06Å; F118-I483 HydrophobicContact CZ-CD1 4.1Å; F118-I483 HydrophobicContact CZ-CG1 4.43Å
119I91.9Very high93.7Very high40 Ų4036.2 Ų36.221%0.20519%0.192CC..Hα-helixtrans-64.4-40.2175.5-65.5165.7000110.1I115 Y116 M117 L121 A122 L123 F402 L406I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.37Å; I115-I119 PolarHBondContact O-N 3.04Å; Y116-I119 PolarHBondContact O-N 3.26Å; M117-I119 PolarHBondContact O-N 3.21Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.42Å; I119-A122 PolarHBondContact O-N 3.17Å; I119-L123 HydrophobicContact CG2-CD1 4.2Å; I119-L123 HydrophobicContact CG2-CG 4.4Å; I119-L123 WeakPolarHBondContact O-CG 3.24Å; I119-L123 PolarHBondContact O-N 3.24Å; I119-F402 HydrophobicContact CD1-CE2 4.13Å; I119-F402 HydrophobicContact CD1-CZ 4.2Å; I119-F402 HydrophobicContact CG2-CZ 4.31Å; I119-L406 HydrophobicContact CB-CD2 4.32Å; I119-L406 HydrophobicContact CG2-CD1 3.92Å; I119-L406 HydrophobicContact CG2-CD2 3.62Å; I119-L406 HydrophobicContact CG2-CG 4.43Å
120G93Very high93.7Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-62.3-40.9178.500000113.6Y116 M117 F118 L123 L124Y116-G120 PolarHBondContact O-N 2.93Å; M117-G120 PolarHBondContact O-N 3.12Å; M117-G120 VanDerWaalsContact O-N 3.16Å; F118-G120 VanDerWaalsContact C-N 3.3Å; F118-G120 PolarHBondContact O-N 3.5Å; G120-L123 PolarHBondContact O-N 3.43Å; G120-L124 WeakPolarHBondContact O-CB 3.21Å; G120-L124 PolarHBondContact O-N 3.11Å
121L94.6Very high93.6Very high1 Ų131.9 Ų31.91%0.00517%0.169CC..Hα-helixtrans-62.6-43.3172.3-179.162.2000111.6M117 F118 I119 L123 L124 C125 I443 F446 T447 V479 P480 I483M117-L121 WeakPolarHBondContact O-CB 3.26Å; M117-L121 PolarHBondContact O-N 3.21Å; F118-L121 PolarHBondContact O-N 3.07Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.42Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.84Å; L121-L124 PolarHBondContact O-N 3.34Å; L121-C125 WeakPolarHBondContact O-CB 3.48Å; L121-C125 PolarHBondContact O-N 3.25Å; L121-C125 PolarHBondContact O-SG 3.35Å; L121-C125 VanDerWaalsContact O-SG 3.33Å; L121-I443 HydrophobicContact CD1-CB 4.27Å; L121-I443 HydrophobicContact CD1-CG1 3.91Å; L121-I443 HydrophobicContact CD1-CG2 4.1Å; L121-F446 HydrophobicContact CB-CB 4.48Å; L121-F446 HydrophobicContact CB-CD2 4.47Å; L121-T447 HydrophobicContact CD2-CG2 3.91Å; L121-V479 HydrophobicContact CD2-CB 4.13Å; L121-V479 HydrophobicContact CD2-CG1 3.6Å; L121-P480 HydrophobicContact CD1-CB 4.32Å; L121-P480 HydrophobicContact CD1-CG 4.23Å; L121-P480 HydrophobicContact CD2-CB 4.32Å; L121-P480 HydrophobicContact CD2-CG 3.81Å; L121-I483 HydrophobicContact CB-CD1 4.43Å; L121-I483 HydrophobicContact CD2-CD1 4Å; L121-I483 HydrophobicContact CG-CD1 4.03Å
122A93.4Very high93.6Very high31 Ų3127.7 Ų27.726%0.25615%0.147SC..Hα-helixtrans-62-40.117700000113.4F118 I119 D126 I483F118-A122 PolarHBondContact O-N 2.88Å; I119-A122 PolarHBondContact O-N 3.17Å; A122-D126 WeakPolarHBondContact O-CB 3.29Å; A122-D126 PolarHBondContact O-N 3.48Å; A122-D126 VanDerWaalsContact O-N 3.16Å; A122-I483 HydrophobicContact CB-CD1 4.12Å; A122-I483 HydrophobicContact CB-CG2 4.2Å
123L90.7Very high93.7Very high28 Ų2824.2 Ų24.215%0.14713%0.126CC..Hα-helixtrans-66.1-44.9174.1-68.9176.4000111.7I119 G120 L121 C125 D126 D127 L406 L409I119-L123 HydrophobicContact CG2-CD1 4.2Å; I119-L123 HydrophobicContact CG2-CG 4.4Å; I119-L123 WeakPolarHBondContact O-CG 3.24Å; I119-L123 PolarHBondContact O-N 3.24Å; G120-L123 PolarHBondContact O-N 3.43Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.84Å; L123-C125 VanDerWaalsContact C-N 3.34Å; L123-C125 PolarHBondContact O-N 3.36Å; L123-D126 PolarHBondContact O-N 2.76Å; L123-D127 VanDerWaalsContact O-CB 3.26Å; L123-D127 WeakPolarHBondContact O-CB 3.22Å; L123-D127 PolarHBondContact O-N 3.04Å; L123-L406 HydrophobicContact CD1-CD1 4.1Å; L123-L406 HydrophobicContact CD1-CD2 4.43Å; L123-L409 HydrophobicContact CD1-CD2 4Å
124L95Very high93.5Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-58.9-45.9177.7174.961.2000111.8G120 L121 Y128 F129 L413 I417 W442 I443 F446G120-L124 WeakPolarHBondContact O-CB 3.21Å; G120-L124 PolarHBondContact O-N 3.11Å; L121-L124 PolarHBondContact O-N 3.34Å; L124-Y128 HydrophobicContact CD1-CD2 4.33Å; L124-Y128 PolarHBondContact O-N 3.02Å; L124-Y128 VanDerWaalsContact O-N 3.1Å; L124-F129 PolarHBondContact O-N 3.35Å; L124-L413 HydrophobicContact CB-CD1 4.19Å; L124-L413 HydrophobicContact CD1-CD1 4.42Å; L124-L413 HydrophobicContact CD1-CD2 4Å; L124-I417 HydrophobicContact CD1-CD1 3.26Å; L124-W442 HydrophobicContact CD1-CB 4.41Å; L124-W442 HydrophobicContact CD2-CB 3.55Å; L124-I443 HydrophobicContact CD2-CB 4.41Å; L124-I443 HydrophobicContact CD2-CG1 3.6Å; L124-I443 HydrophobicContact CG-CG1 4.29Å; L124-F446 HydrophobicContact CB-CE2 4.21Å; L124-F446 HydrophobicContact CD2-CD2 3.93Å; L124-F446 HydrophobicContact CD2-CE2 3.93Å
125C95Very high93.4Very high0 Ų023.8 Ų23.80%012%0.118CC..Iπ-helixtrans-62.2-49179.9-70.50000111.6L121 L123 F129 I130 I483 I487L121-C125 WeakPolarHBondContact O-CB 3.48Å; L121-C125 PolarHBondContact O-N 3.25Å; L121-C125 PolarHBondContact O-SG 3.35Å; L121-C125 VanDerWaalsContact O-SG 3.33Å; L123-C125 VanDerWaalsContact C-N 3.34Å; L123-C125 PolarHBondContact O-N 3.36Å; C125-F129 PolarHBondContact O-N 2.94Å; C125-I130 WeakPolarHBondContact O-CG1 3.5Å; C125-I130 PolarHBondContact O-N 3.29Å; C125-I483 HydrophobicContact CB-CG2 4Å; C125-I487 HydrophobicContact CB-CD1 3.72Å
126D91.3Very high93.3Very high63 Ų6319.6 Ų19.634%0.33710%0.097SC..Iπ-helixtrans-73.4-44.2-176.6-167.622.1000112.8A122 L123 P131 R322 I487A122-D126 WeakPolarHBondContact O-CB 3.29Å; A122-D126 PolarHBondContact O-N 3.48Å; A122-D126 VanDerWaalsContact O-N 3.16Å; L123-D126 PolarHBondContact O-N 2.76Å; D126-P131 VanDerWaalsContact O-CD 3.3Å; D126-P131 WeakPolarHBondContact O-CD 3Å; D126-P131 WeakPolarHBondContact O-CG 3.4Å; D126-R322 PolarHBondContact O-NH2 3.26Å; D126-R322 IonicContact OD1-CZ 2.95Å; D126-R322 IonicContact OD1-NH2 3.29Å; D126-R322 PolarHBondContact OD1-NH2 3.29Å; D126-I487 HydrophobicContact CB-CD1 3.86Å
127D88.8Confident93.2Very high30 Ų3017.9 Ų17.916%0.169%0.09CC..Iπ-helixtrans-82.7-24.8-173-78.1-35.4000113.9L123 R410 R421L123-D127 VanDerWaalsContact O-CB 3.26Å; L123-D127 WeakPolarHBondContact O-CB 3.22Å; L123-D127 PolarHBondContact O-N 3.04Å; D127-R410 IonicContact OD2-CZ 3.1Å; D127-R410 IonicContact OD2-NH1 3.73Å; D127-R410 PolarHBondContact OD2-NH1 3.11Å; D127-R421 PolarHBondContact O-NE 2.98Å; D127-R421 PolarHBondContact O-NH1 2.9Å; D127-R421 PolarHBondContact O-NH2 3.43Å; D127-R421 VanDerWaalsContact O-NH2 3.11Å; D127-R421 IonicContact OD1-NH1 3.57Å; D127-R421 PolarHBondContact OD1-NH1 3.3Å; D127-R421 IonicContact OD1-NH2 2.97Å
128Y93.8Very high92.9Very high14 Ų1419.3 Ų19.36%0.05510%0.096CC..Iπ-helixtrans-133-48.7-173-60.2-87.8000114.4L124 C132 L413 C414 I417 D419 C439L124-Y128 HydrophobicContact CD1-CD2 4.33Å; L124-Y128 PolarHBondContact O-N 3.02Å; L124-Y128 VanDerWaalsContact O-N 3.1Å; Y128-C132 WeakPolarHBondContact O-CB 3.35Å; Y128-C132 PolarHBondContact O-N 3.49Å; Y128-L413 HydrophobicContact CE2-CB 4Å; Y128-C414 WeakPolarHBondContact OH-CA 3.35Å; Y128-I417 HydrophobicContact CD1-CB 3.86Å; Y128-I417 HydrophobicContact CD1-CG2 3.54Å; Y128-I417 HydrophobicContact CE1-CB 4.12Å; Y128-I417 HydrophobicContact CE1-CG2 4.27Å; Y128-I417 HydrophobicContact CG-CB 4.32Å; Y128-I417 HydrophobicContact CG-CD1 4.38Å; Y128-I417 HydrophobicContact CG-CG2 3.95Å; Y128-D419 HydrophobicContact CD1-CB 4.41Å; Y128-D419 HydrophobicContact CE1-CB 3.98Å; Y128-C439 VanDerWaalsContact CB-SG 3.58Å
129F96.5Very high92.7Very high1 Ų117.7 Ų17.70%0.0049%0.094CC..Iπ-helixtrans-68-53.7-172.9-175-123.2000113.1L124 C125 C132 L133 M152 F436 C439 I443 A484L124-F129 PolarHBondContact O-N 3.35Å; C125-F129 PolarHBondContact O-N 2.94Å; F129-C132 PolarHBondContact O-N 3.17Å; F129-C132 PolarHBondContact O-SG 2.96Å; F129-L133 HydrophobicContact CD1-CD1 4.23Å; F129-L133 HydrophobicContact CE1-CD1 3.91Å; F129-L133 HydrophobicContact CE2-CD1 4.31Å; F129-L133 HydrophobicContact CZ-CD1 3.96Å; F129-L133 WeakPolarHBondContact O-CG 3.46Å; F129-L133 PolarHBondContact O-N 3.4Å; F129-L133 VanDerWaalsContact O-N 3.11Å; F129-M152 HydrophobicContact CE1-CG 4.01Å; F129-M152 HydrophobicContact CZ-CG 4.39Å; F129-F436 HydrophobicContact CD2-CD2 4.5Å; F129-F436 HydrophobicContact CE2-CD2 4.03Å; F129-F436 AromaticContact CE2-CE2 3.75Å; F129-F436 HydrophobicContact CE2-CE2 3.75Å; F129-F436 HydrophobicContact CZ-CE2 4.48Å; F129-C439 HydrophobicContact CB-CB 4.22Å; F129-C439 HydrophobicContact CD2-CB 3.75Å; F129-C439 HydrophobicContact CG-CB 4.42Å; F129-I443 HydrophobicContact CD1-CD1 4.13Å; F129-I443 HydrophobicContact CD2-CD1 3.91Å; F129-I443 HydrophobicContact CE1-CD1 4.28Å; F129-I443 HydrophobicContact CE2-CD1 4.06Å; F129-I443 HydrophobicContact CG-CD1 3.93Å; F129-I443 HydrophobicContact CZ-CD1 4.24Å; F129-A484 HydrophobicContact CD1-CB 4.39Å; F129-A484 HydrophobicContact CE1-CB 4.25Å
130I95.4Very high92.6Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-62.3-45.7177.1-61.3-51.1000111.2C125 C132 L133 E134 M152 F294 A484 I487 V488C125-I130 WeakPolarHBondContact O-CG1 3.5Å; C125-I130 PolarHBondContact O-N 3.29Å; I130-C132 VanDerWaalsContact C-N 3.33Å; I130-C132 PolarHBondContact O-N 2.86Å; I130-L133 HydrophobicContact CD1-CD1 4.13Å; I130-L133 WeakPolarHBondContact O-CB 3.25Å; I130-L133 PolarHBondContact O-N 3.39Å; I130-L133 VanDerWaalsContact O-N 3.11Å; I130-E134 HydrophobicContact CG2-CG 4.45Å; I130-E134 WeakPolarHBondContact O-CG 3.5Å; I130-E134 PolarHBondContact O-N 2.91Å; I130-M152 HydrophobicContact CD1-CE 4.34Å; I130-F294 HydrophobicContact CG2-CE2 4.28Å; I130-F294 HydrophobicContact CG2-CZ 4.24Å; I130-A484 HydrophobicContact CD1-CB 4.2Å; I130-I487 HydrophobicContact CB-CG2 4.46Å; I130-I487 HydrophobicContact CG1-CB 4.35Å; I130-I487 HydrophobicContact CG1-CG2 3.91Å; I130-I487 HydrophobicContact CG2-CG2 4.45Å; I130-V488 HydrophobicContact CD1-CG1 3.58Å; I130-V488 HydrophobicContact CG1-CG1 4.19Å; I130-V488 HydrophobicContact CG2-CG1 4.09Å
131P92.5Very high92.4Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-56.5-39.9174.3-26.632.4000114.6D126 L133 E134 R135 F323 V420 R421D126-P131 VanDerWaalsContact O-CD 3.3Å; D126-P131 WeakPolarHBondContact O-CD 3Å; D126-P131 WeakPolarHBondContact O-CG 3.4Å; P131-L133 VanDerWaalsContact C-N 3.34Å; P131-E134 PolarHBondContact O-N 3.1Å; P131-R135 PolarHBondContact O-N 3.37Å; P131-F323 WeakPolarHBondContact O-CZ 3.39Å; P131-V420 HydrophobicContact CB-CG2 3.9Å; P131-R421 HydrophobicContact CB-CG 3.89Å; P131-R421 HydrophobicContact CG-CG 4.4Å
132C94.4Very high92.1Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-69.4-34.4178.379.10000111.7Y128 F129 I130 R135 I136 V420Y128-C132 WeakPolarHBondContact O-CB 3.35Å; Y128-C132 PolarHBondContact O-N 3.49Å; F129-C132 PolarHBondContact O-N 3.17Å; F129-C132 PolarHBondContact O-SG 2.96Å; I130-C132 VanDerWaalsContact C-N 3.33Å; I130-C132 PolarHBondContact O-N 2.86Å; C132-R135 PolarHBondContact O-N 2.98Å; C132-I136 VanDerWaalsContact O-CG1 3.28Å; C132-I136 WeakPolarHBondContact O-CG1 3.45Å; C132-I136 PolarHBondContact O-N 3.29Å; C132-V420 HydrophobicContact CB-CG1 4.26Å; C132-V420 HydrophobicContact CB-CG2 4.23Å
133L94.8Very high92Very high0 Ų027.4 Ų27.40%014%0.135CC..Hα-helixtrans-64.9-43.3170.8-66.8173.5000112.2F129 I130 P131 R135 I136 C137 F151 M152 F436 M496F129-L133 HydrophobicContact CD1-CD1 4.23Å; F129-L133 HydrophobicContact CE1-CD1 3.91Å; F129-L133 HydrophobicContact CE2-CD1 4.31Å; F129-L133 HydrophobicContact CZ-CD1 3.96Å; F129-L133 WeakPolarHBondContact O-CG 3.46Å; F129-L133 PolarHBondContact O-N 3.4Å; F129-L133 VanDerWaalsContact O-N 3.11Å; I130-L133 HydrophobicContact CD1-CD1 4.13Å; I130-L133 WeakPolarHBondContact O-CB 3.25Å; I130-L133 PolarHBondContact O-N 3.39Å; I130-L133 VanDerWaalsContact O-N 3.11Å; P131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.26Å; L133-R135 PolarHBondContact O-N 2.82Å; L133-I136 HydrophobicContact CD2-CD1 4.4Å; L133-I136 PolarHBondContact O-N 3.37Å; L133-I136 VanDerWaalsContact O-N 3.16Å; L133-C137 PolarHBondContact O-N 3.32Å; L133-C137 PolarHBondContact O-SG 3.02Å; L133-F151 HydrophobicContact CD2-CB 3.5Å; L133-F151 VanDerWaalsContact CD2-CB 3.5Å; L133-M152 HydrophobicContact CD1-CB 3.7Å; L133-M152 HydrophobicContact CD1-CG 3.71Å; L133-F436 HydrophobicContact CD2-CD2 4.04Å; L133-F436 HydrophobicContact CD2-CE2 3.92Å; L133-M496 HydrophobicContact CB-CE 4.44Å; L133-M496 HydrophobicContact CD1-CE 4.19Å
134E92.1Very high92.1Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-56.5-42.9173.1-69.7172.2-142.500110.8I130 P131 C137 K138 F294 Y320 R322 F323I130-E134 HydrophobicContact CG2-CG 4.45Å; I130-E134 WeakPolarHBondContact O-CG 3.5Å; I130-E134 PolarHBondContact O-N 2.91Å; P131-E134 PolarHBondContact O-N 3.1Å; E134-C137 PolarHBondContact O-N 3.2Å; E134-K138 WeakPolarHBondContact O-CB 3.46Å; E134-K138 PolarHBondContact O-N 3.02Å; E134-F294 VanDerWaalsContact CA-CE1 3.48Å; E134-F294 HydrophobicContact CB-CD1 4.33Å; E134-F294 HydrophobicContact CB-CE1 4.03Å; E134-F294 HydrophobicContact CB-CZ 4.31Å; E134-F294 HydrophobicContact CG-CD1 3.92Å; E134-F294 HydrophobicContact CG-CD2 4Å; E134-F294 HydrophobicContact CG-CE1 3.54Å; E134-F294 HydrophobicContact CG-CE2 3.63Å; E134-F294 HydrophobicContact CG-CG 4.14Å; E134-F294 HydrophobicContact CG-CZ 3.38Å; E134-Y320 HydrophobicContact CB-CD1 4.26Å; E134-Y320 HydrophobicContact CB-CE1 4.44Å; E134-Y320 VanDerWaalsContact O-CE1 3.26Å; E134-Y320 WeakPolarHBondContact O-CE1 3.15Å; E134-R322 VanDerWaalsContact OE1-CD 3.27Å; E134-R322 WeakPolarHBondContact OE1-CD 3.46Å; E134-R322 IonicContact OE1-NH1 3.04Å; E134-R322 PolarHBondContact OE1-NH1 3.24Å; E134-R322 VanDerWaalsContact OE1-NH1 3.07Å; E134-R322 WeakPolarHBondContact OE2-CB 3.25Å; E134-F323 HydrophobicContact CB-CE2 3.86Å; E134-F323 HydrophobicContact CB-CZ 4.32Å
135R90.9Very high92Very high46 Ų4627.6 Ų27.617%0.17414%0.138CC..Hα-helixtrans-65.7-42.3176.3-170.460.1178.3-161.70112.2P131 C132 L133 C137 K138 V139 F323 V420 H432P131-R135 PolarHBondContact O-N 3.37Å; C132-R135 PolarHBondContact O-N 2.98Å; L133-R135 VanDerWaalsContact C-N 3.26Å; L133-R135 PolarHBondContact O-N 2.82Å; R135-C137 VanDerWaalsContact C-N 3.32Å; R135-K138 PolarHBondContact O-N 3.12Å; R135-V139 HydrophobicContact CG-CG2 4.32Å; R135-V139 WeakPolarHBondContact O-CG2 3.41Å; R135-V139 PolarHBondContact O-N 3.37Å; R135-F323 HydrophobicContact CB-CE1 4.37Å; R135-F323 HydrophobicContact CB-CE2 4.28Å; R135-F323 HydrophobicContact CB-CZ 3.66Å; R135-F323 HydrophobicContact CG-CZ 4.39Å; R135-V420 HydrophobicContact CB-CB 4.49Å; R135-V420 HydrophobicContact CB-CG2 4.44Å; R135-H432 HydrophobicContact CB-CB 4.12Å; R135-H432 HydrophobicContact CG-CB 3.82Å
136I92.6Very high92.1Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-59.8-44.9175.9-72.2162.6000110C132 L133 K138 V139 L140 L142 F151 H432 W433 F436C132-I136 VanDerWaalsContact O-CG1 3.28Å; C132-I136 WeakPolarHBondContact O-CG1 3.45Å; C132-I136 PolarHBondContact O-N 3.29Å; L133-I136 HydrophobicContact CD2-CD1 4.4Å; L133-I136 PolarHBondContact O-N 3.37Å; L133-I136 VanDerWaalsContact O-N 3.16Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.08Å; I136-V139 PolarHBondContact O-N 3.26Å; I136-L140 HydrophobicContact CG2-CD1 3.94Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; I136-L140 WeakPolarHBondContact O-CB 3.44Å; I136-L140 PolarHBondContact O-N 2.83Å; I136-L142 HydrophobicContact CG2-CD1 4.3Å; I136-F151 HydrophobicContact CG2-CD2 4.05Å; I136-F151 HydrophobicContact CG2-CE2 4.13Å; I136-F151 HydrophobicContact CG2-CG 4.49Å; I136-H432 HydrophobicContact CG1-CB 4.28Å; I136-W433 HydrophobicContact CD1-CE3 4.3Å; I136-W433 HydrophobicContact CD1-CZ3 4.09Å; I136-W433 HydrophobicContact CG2-CH2 4.24Å; I136-F436 HydrophobicContact CD1-CB 4.08Å; I136-F436 HydrophobicContact CD1-CD2 4.19Å; I136-F436 HydrophobicContact CD1-CG 4.19Å
137C91.7Very high92.3Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-59.1-44.5175.7-63.20000111.6L133 E134 R135 H141 L142 A147 F294 Y320L133-C137 PolarHBondContact O-N 3.32Å; L133-C137 PolarHBondContact O-SG 3.02Å; E134-C137 PolarHBondContact O-N 3.2Å; R135-C137 VanDerWaalsContact C-N 3.32Å; C137-H141 VanDerWaalsContact O-CA 3.27Å; C137-H141 WeakPolarHBondContact O-CA 3.43Å; C137-H141 PolarHBondContact O-N 3Å; C137-L142 PolarHBondContact O-N 3.41Å; C137-L142 VanDerWaalsContact O-N 3.1Å; C137-A147 WeakPolarHBondContact SG-CB 3.37Å; C137-F294 HydrophobicContact CB-CD1 4.08Å; C137-F294 HydrophobicContact CB-CE1 4.43Å; C137-Y320 HydrophobicContact CB-CE1 4.38Å
138K88.8Confident92.7Very high55 Ų5523.3 Ų23.324%0.23912%0.115CC..Hα-helixtrans-63.8-42.8179-173.3170.1179.8163.80112.8E134 R135 I136 T318 Y320E134-K138 WeakPolarHBondContact O-CB 3.46Å; E134-K138 PolarHBondContact O-N 3.02Å; R135-K138 PolarHBondContact O-N 3.12Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.08Å; K138-T318 PolarHBondContact NZ-OG1 3.29Å; K138-T318 VanDerWaalsContact NZ-OG1 3.11Å; K138-Y320 WeakPolarHBondContact CA-OH 3.37Å; K138-Y320 HydrophobicContact CB-CD1 4.42Å; K138-Y320 HydrophobicContact CB-CD2 4.23Å; K138-Y320 HydrophobicContact CB-CE1 3.93Å; K138-Y320 HydrophobicContact CB-CE2 3.74Å; K138-Y320 HydrophobicContact CD-CD2 3.77Å; K138-Y320 HydrophobicContact CD-CE2 4.06Å; K138-Y320 HydrophobicContact CD-CG 4.14Å; K138-Y320 HydrophobicContact CG-CD2 4.02Å; K138-Y320 HydrophobicContact CG-CE2 3.76Å; K138-Y320 PolarHBondContact N-OH 3.2Å
139V89.4Confident92.8Very high63 Ų6322.7 Ų22.738%0.38211%0.112SC..Hα-helixtrans-79.3-41.8-174.9173.50000112R135 I136 H141R135-V139 HydrophobicContact CG-CG2 4.32Å; R135-V139 WeakPolarHBondContact O-CG2 3.41Å; R135-V139 PolarHBondContact O-N 3.37Å; I136-V139 PolarHBondContact O-N 3.26Å; V139-H141 VanDerWaalsContact C-N 3.34Å
140L90.2Very high92.8Very high79 Ų7923.1 Ų23.141%0.41412%0.115SC..Hα-helixtrans-88.60.1-179.6-65.7-175.2000113.5I136 L142 F151 W433I136-L140 HydrophobicContact CG2-CD1 3.94Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; I136-L140 WeakPolarHBondContact O-CB 3.44Å; I136-L140 PolarHBondContact O-N 2.83Å; L140-L142 HydrophobicContact CB-CD1 3.85Å; L140-L142 HydrophobicContact CB-CG 3.69Å; L140-L142 HydrophobicContact CD1-CD1 3.74Å; L140-L142 HydrophobicContact CD1-CG 4.44Å; L140-L142 HydrophobicContact CG-CD1 4.47Å; L140-L142 PolarHBondContact O-N 3.05Å; L140-F151 HydrophobicContact CD1-CE2 4.39Å; L140-F151 HydrophobicContact CD1-CZ 4.39Å; L140-W433 HydrophobicContact CD1-CH2 4.01Å; L140-W433 HydrophobicContact CD1-CZ2 3.84Å
141H87.7Confident92.9Very high117 Ų11725.5 Ų25.554%0.54213%0.126SC..THydrogen-bonded Turntrans5338.4-174.1-60.1-81.8000112.9C137 V139 F297C137-H141 VanDerWaalsContact O-CA 3.27Å; C137-H141 WeakPolarHBondContact O-CA 3.43Å; C137-H141 PolarHBondContact O-N 3Å; V139-H141 VanDerWaalsContact C-N 3.34Å; H141-F297 HydrophobicContact CB-CE2 4.18Å; H141-F297 HydrophobicContact CB-CZ 4.35Å; H141-F297 AromaticContact CE1-CE1 3.53Å; H141-F297 AromaticContact CE1-CZ 3.57Å; H141-F297 AromaticContact CG-CZ 3.91Å; H141-F297 AromaticContact ND1-CD1 3.78Å; H141-F297 AromaticContact ND1-CE1 3Å; H141-F297 WeakPolarHBondContact ND1-CE1 3.47Å; H141-F297 AromaticContact ND1-CE2 3.57Å; H141-F297 AromaticContact ND1-CZ 2.88Å; H141-F297 WeakPolarHBondContact ND1-CZ 3.31Å
142L90.2Very high93.1Very high35 Ų3525.5 Ų25.518%0.18313%0.126CC..  trans-84.1141.1179.7-65.2172.2000110.6I136 C137 L140 V146 F151I136-L142 HydrophobicContact CG2-CD1 4.3Å; C137-L142 PolarHBondContact O-N 3.41Å; C137-L142 VanDerWaalsContact O-N 3.1Å; L140-L142 HydrophobicContact CB-CD1 3.85Å; L140-L142 HydrophobicContact CB-CG 3.69Å; L140-L142 HydrophobicContact CD1-CD1 3.74Å; L140-L142 HydrophobicContact CD1-CG 4.44Å; L140-L142 HydrophobicContact CG-CD1 4.47Å; L140-L142 PolarHBondContact O-N 3.05Å; L142-V146 HydrophobicContact CD2-CG1 4.22Å; L142-F151 HydrophobicContact CD1-CD2 4.06Å; L142-F151 HydrophobicContact CD1-CE2 3.51Å
143Q90.6Very high93.3Very high44 Ų4425.5 Ų25.521%0.20613%0.126CC..  trans-67.9146.7169-63.7179.5-2800109.9D145 V146 A147 N255 D259Q143-D145 VanDerWaalsContact C-N 3.29Å; Q143-D145 WeakPolarHBondContact CB-OD1 3.35Å; Q143-D145 PolarHBondContact O-N 2.95Å; Q143-D145 PolarHBondContact OE1-OD1 3.32Å; Q143-V146 HydrophobicContact CB-CG2 4.3Å; Q143-V146 WeakPolarHBondContact O-CB 3.34Å; Q143-V146 PolarHBondContact O-N 3.39Å; Q143-V146 VanDerWaalsContact O-N 3.12Å; Q143-A147 PolarHBondContact O-N 3.1Å; Q143-A147 VanDerWaalsContact O-N 3.09Å; Q143-N255 PolarHBondContact OE1-ND2 3.26Å; Q143-D259 PolarHBondContact NE2-OD2 3.26Å
144P92.3Very high93.3Very high20 Ų2026.6 Ų26.613%0.1314%0.135CC..Hα-helixtrans-58.4-35.8-178.7-25.734.8000113.9V146 A147 G148 F294 M496P144-V146 PolarHBondContact O-N 3.5Å; P144-A147 PolarHBondContact O-N 3.39Å; P144-G148 PolarHBondContact O-N 2.88Å; P144-F294 HydrophobicContact CB-CG 4.5Å; P144-F294 HydrophobicContact CG-CB 3.95Å; P144-F294 HydrophobicContact CG-CG 4.37Å; P144-M496 HydrophobicContact CB-CB 4.21Å; P144-M496 HydrophobicContact CB-SD 4.19Å; P144-M496 VanDerWaalsContact O-CG 3.27Å; P144-M496 WeakPolarHBondContact O-CG 3.32Å
145D94.1Very high93.5Very high12 Ų1226.6 Ų26.66%0.06414%0.135CC..Hα-helixtrans-63.2-40.6176.466.1-64.8000111.9Q143 G148 A149 P209 R212 D495 S499Q143-D145 VanDerWaalsContact C-N 3.29Å; Q143-D145 WeakPolarHBondContact CB-OD1 3.35Å; Q143-D145 PolarHBondContact O-N 2.95Å; Q143-D145 PolarHBondContact OE1-OD1 3.32Å; D145-G148 PolarHBondContact O-N 2.99Å; D145-A149 WeakPolarHBondContact O-CB 3.02Å; D145-A149 PolarHBondContact O-N 2.94Å; D145-P209 HydrophobicContact CB-CB 3.93Å; D145-P209 HydrophobicContact CB-CG 4.13Å; D145-R212 IonicContact OD2-CZ 3.26Å; D145-R212 IonicContact OD2-NH1 3.46Å; D145-R212 PolarHBondContact OD2-NH1 3.16Å; D145-R212 IonicContact OD2-NH2 3.78Å; D145-R212 PolarHBondContact OD2-NH2 2.92Å; D145-R212 VanDerWaalsContact OD2-NH2 3.11Å; D145-D495 HydrophobicContact CB-CB 4.35Å; D145-S499 WeakPolarHBondContact O-CB 3.32Å
146V95.9Very high93.7Very high4 Ų424.4 Ų24.42%0.02413%0.127CC..Hα-helixtrans-66.4-43.9176.7176.40000110.6L142 Q143 P144 G148 A149 T150 M252 N255L142-V146 HydrophobicContact CD2-CG1 4.22Å; Q143-V146 HydrophobicContact CB-CG2 4.3Å; Q143-V146 WeakPolarHBondContact O-CB 3.34Å; Q143-V146 PolarHBondContact O-N 3.39Å; Q143-V146 VanDerWaalsContact O-N 3.12Å; P144-V146 PolarHBondContact O-N 3.5Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 2.89Å; V146-A149 PolarHBondContact O-N 3.45Å; V146-T150 WeakPolarHBondContact O-CB 3.48Å; V146-T150 PolarHBondContact O-N 2.93Å; V146-T150 VanDerWaalsContact O-N 3.14Å; V146-T150 PolarHBondContact O-OG1 3.39Å; V146-M252 HydrophobicContact CB-SD 4.4Å; V146-M252 HydrophobicContact CG1-CB 3.77Å; V146-M252 HydrophobicContact CG1-CG 4.15Å; V146-M252 HydrophobicContact CG1-SD 4.11Å; V146-M252 HydrophobicContact CG2-SD 3.95Å; V146-N255 HydrophobicContact CG2-CB 3.96Å; V146-N255 VanDerWaalsContact CG2-ND2 3.3Å; V146-N255 WeakPolarHBondContact CG2-ND2 3.06Å
147A96Very high93.8Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-64.3-37.8176.800000112.1C137 Q143 P144 F151 M152 M496C137-A147 WeakPolarHBondContact SG-CB 3.37Å; Q143-A147 PolarHBondContact O-N 3.1Å; Q143-A147 VanDerWaalsContact O-N 3.09Å; P144-A147 PolarHBondContact O-N 3.39Å; A147-F151 PolarHBondContact O-N 3.43Å; A147-F151 VanDerWaalsContact O-N 3.08Å; A147-M152 PolarHBondContact O-N 2.78Å; A147-M496 HydrophobicContact CB-CE 4.35Å
148G96.8Very high93.8Very high0 Ų025.3 Ų25.30%013%0.134CC..Iπ-helixtrans-58.8-52.5170.800000112P144 D145 V146 T150 M152 A153 N500P144-G148 PolarHBondContact O-N 2.88Å; D145-G148 PolarHBondContact O-N 2.99Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 2.89Å; G148-T150 PolarHBondContact O-N 3.13Å; G148-M152 WeakPolarHBondContact O-CB 3.31Å; G148-A153 PolarHBondContact O-N 3.35Å; G148-N500 WeakPolarHBondContact O-CA 3.34Å; G148-N500 PolarHBondContact O-OD1 3.49Å
149A97Very high93.7Very high0 Ų022.7 Ų22.70%012%0.123CC..Iπ-helixtrans-72.6-10.6-174.500000115.1D145 V146 Y248 M252 S499D145-A149 WeakPolarHBondContact O-CB 3.02Å; D145-A149 PolarHBondContact O-N 2.94Å; V146-A149 PolarHBondContact O-N 3.45Å; A149-Y248 WeakPolarHBondContact CB-OH 3.42Å; A149-M252 HydrophobicContact CB-CE 4.41Å; A149-S499 WeakPolarHBondContact CA-O 3.35Å
150T96.4Very high93.7Very high11 Ų1119.8 Ų19.87%0.06711%0.105CC..Iπ-helixtrans-125.2-73-174.558.20000112.7V146 G148 A154 M252V146-T150 WeakPolarHBondContact O-CB 3.48Å; V146-T150 PolarHBondContact O-N 2.93Å; V146-T150 VanDerWaalsContact O-N 3.14Å; V146-T150 PolarHBondContact O-OG1 3.39Å; G148-T150 PolarHBondContact O-N 3.13Å; T150-A154 VanDerWaalsContact O-CB 3.24Å; T150-A154 WeakPolarHBondContact O-CB 3.38Å; T150-A154 PolarHBondContact O-N 3.13Å; T150-M252 HydrophobicContact CG2-CB 4.48Å; T150-M252 HydrophobicContact CG2-CG 3.94Å
151F97Very high93.7Very high49 Ų4918.1 Ų18.122%0.21510%0.096CC..Iπ-helixtrans-73.3-43.5-174.4-66.9-69000112.4L133 I136 L140 L142 A147 A154 G155 W433 F436L133-F151 HydrophobicContact CD2-CB 3.5Å; L133-F151 VanDerWaalsContact CD2-CB 3.5Å; I136-F151 HydrophobicContact CG2-CD2 4.05Å; I136-F151 HydrophobicContact CG2-CE2 4.13Å; I136-F151 HydrophobicContact CG2-CG 4.49Å; L140-F151 HydrophobicContact CD1-CE2 4.39Å; L140-F151 HydrophobicContact CD1-CZ 4.39Å; L142-F151 HydrophobicContact CD1-CD2 4.06Å; L142-F151 HydrophobicContact CD1-CE2 3.51Å; A147-F151 PolarHBondContact O-N 3.43Å; A147-F151 VanDerWaalsContact O-N 3.08Å; F151-A154 PolarHBondContact O-N 2.94Å; F151-G155 PolarHBondContact O-N 3.33Å; F151-W433 HydrophobicContact CD1-CH2 4.28Å; F151-W433 AromaticContact CD1-CZ3 3.94Å; F151-W433 HydrophobicContact CD1-CZ3 3.94Å; F151-W433 AromaticContact CE1-CH2 3.48Å; F151-W433 HydrophobicContact CE1-CH2 3.48Å; F151-W433 VanDerWaalsContact CE1-CH2 3.48Å; F151-W433 AromaticContact CE1-CZ3 3.45Å; F151-W433 HydrophobicContact CE1-CZ3 3.45Å; F151-W433 VanDerWaalsContact CE1-CZ3 3.45Å; F151-W433 AromaticContact CZ-CH2 3.61Å; F151-W433 HydrophobicContact CZ-CH2 3.61Å; F151-W433 HydrophobicContact CZ-CZ3 4.09Å; F151-F436 HydrophobicContact CB-CE2 4.1Å; F151-F436 HydrophobicContact CB-CZ 4.26Å; F151-F436 HydrophobicContact CD1-CZ 4.34Å; F151-F436 WeakPolarHBondContact O-CE2 3.26Å; F151-F436 WeakPolarHBondContact O-CZ 3.24Å
152M97.3Very high93.6Very high0 Ų014.5 Ų14.50%09%0.087CC..Iπ-helixtrans-62.3-49.6176.1-164.9-178.3164.200109.8F129 I130 L133 A147 G148 A154 G155 S156 A484 V488 M496 N500F129-M152 HydrophobicContact CE1-CG 4.01Å; F129-M152 HydrophobicContact CZ-CG 4.39Å; I130-M152 HydrophobicContact CD1-CE 4.34Å; L133-M152 HydrophobicContact CD1-CB 3.7Å; L133-M152 HydrophobicContact CD1-CG 3.71Å; A147-M152 PolarHBondContact O-N 2.78Å; G148-M152 WeakPolarHBondContact O-CB 3.31Å; M152-A154 PolarHBondContact O-N 3.44Å; M152-G155 PolarHBondContact O-N 2.93Å; M152-G155 VanDerWaalsContact O-N 3.11Å; M152-S156 PolarHBondContact O-N 3.4Å; M152-S156 PolarHBondContact O-OG 3.04Å; M152-A484 HydrophobicContact CE-CB 3.32Å; M152-A484 WeakPolarHBondContact CE-O 3.47Å; M152-V488 HydrophobicContact CE-CG1 4.2Å; M152-V488 HydrophobicContact CE-CG2 4.05Å; M152-V488 HydrophobicContact SD-CG1 4.43Å; M152-M496 HydrophobicContact CB-CE 4.4Å; M152-M496 HydrophobicContact SD-CE 3.69Å; M152-M496 HydrophobicContact SD-CG 4.05Å; M152-N500 WeakPolarHBondContact CB-OD1 3.16Å; M152-N500 HydrophobicContact CE-CB 3.92Å; M152-N500 HydrophobicContact CG-CB 4.27Å; M152-N500 WeakPolarHBondContact CG-OD1 3.34Å; M152-N500 HydrophobicContact SD-CB 3.64Å
153A97.2Very high93.2Very high0 Ų014.8 Ų14.80%09%0.09CC..Hα-helixtrans-53.2-51174.400000113G148 G155 S156 S157 N500 S504G148-A153 PolarHBondContact O-N 3.35Å; A153-G155 VanDerWaalsContact C-N 3.26Å; A153-G155 PolarHBondContact O-N 3.42Å; A153-S156 PolarHBondContact O-N 3.09Å; A153-S156 PolarHBondContact O-OG 2.96Å; A153-S157 WeakPolarHBondContact O-CB 3.34Å; A153-S157 PolarHBondContact O-N 2.9Å; A153-S157 PolarHBondContact O-OG 3.18Å; A153-N500 WeakPolarHBondContact CA-OD1 3.43Å; A153-N500 PolarHBondContact N-OD1 3.36Å; A153-S504 WeakPolarHBondContact CA-OG 3.37Å
154A96.3Very high92.9Very high24 Ų2412.9 Ų12.920%0.1988%0.081CC..Hα-helixtrans-62.2-34179.100000113T150 F151 M152 F507T150-A154 VanDerWaalsContact O-CB 3.24Å; T150-A154 WeakPolarHBondContact O-CB 3.38Å; T150-A154 PolarHBondContact O-N 3.13Å; F151-A154 PolarHBondContact O-N 2.94Å; M152-A154 PolarHBondContact O-N 3.44Å; A154-F507 HydrophobicContact CB-CD2 4.03Å; A154-F507 HydrophobicContact CB-CE2 3.57Å; A154-F507 HydrophobicContact CB-CZ 3.85Å
155G95.9Very high92.7Very high0 Ų014.3 Ų14.30%09%0.088CC..Hα-helixtrans-79.4-36.2-18000000114F151 M152 A153 A158 C440F151-G155 PolarHBondContact O-N 3.33Å; M152-G155 PolarHBondContact O-N 2.93Å; M152-G155 VanDerWaalsContact O-N 3.11Å; A153-G155 VanDerWaalsContact C-N 3.26Å; A153-G155 PolarHBondContact O-N 3.42Å; G155-A158 WeakPolarHBondContact O-CB 3.47Å; G155-C440 WeakPolarHBondContact CA-SG 3.47Å
156S94.3Very high92Very high0 Ų016.8 Ų16.80%010%0.103CC..Hα-helixtrans-75.2-33.4174.851.50000112.8M152 A153 A158 P159 D481 S504M152-S156 PolarHBondContact O-N 3.4Å; M152-S156 PolarHBondContact O-OG 3.04Å; A153-S156 PolarHBondContact O-N 3.09Å; A153-S156 PolarHBondContact O-OG 2.96Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 3.32Å; S156-P159 WeakPolarHBondContact O-CD 3.46Å; S156-D481 WeakPolarHBondContact CB-OD1 3.42Å; S156-D481 PolarHBondContact OG-OD1 3.33Å; S156-S504 PolarHBondContact OG-OG 3.5Å
157S94Very high91.1Very high0 Ų017 Ų170%011%0.106CC..THydrogen-bonded Turntrans-79.35.1174.8-69.60000115.1A153 E160 L161 F507 D508A153-S157 WeakPolarHBondContact O-CB 3.34Å; A153-S157 PolarHBondContact O-N 2.9Å; A153-S157 PolarHBondContact O-OG 3.18Å; S157-E160 VanDerWaalsContact CA-OE2 3.28Å; S157-E160 WeakPolarHBondContact CA-OE2 3.29Å; S157-E160 PolarHBondContact O-N 3.46Å; S157-L161 PolarHBondContact O-N 2.99Å; S157-L161 VanDerWaalsContact O-N 3.09Å; S157-F507 VanDerWaalsContact CB-CD1 3.49Å; S157-D508 WeakPolarHBondContact CB-OD1 3.3Å; S157-D508 PolarHBondContact OG-OD1 2.8Å
158A91.8Very high90.5Very high19 Ų1917.9 Ų17.916%0.15711%0.111CC..Hα-helixtrans-54.6-40.3175.900000114.7G155 S156 A162 C440G155-A158 WeakPolarHBondContact O-CB 3.47Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 3.32Å; A158-A162 PolarHBondContact O-N 3.48Å; A158-A162 VanDerWaalsContact O-N 3.11Å; A158-C440 HydrophobicContact CB-CB 4.28Å
159P87.7Confident89.9Confident0 Ų021.4 Ų21.40%013%0.127CC..Hα-helixtrans-67.7-38.4175.314-11.8000113.3S156 L161 A162 T163 T447 M451 P480S156-P159 WeakPolarHBondContact O-CD 3.46Å; P159-L161 VanDerWaalsContact C-N 3.33Å; P159-L161 PolarHBondContact O-N 3.36Å; P159-A162 PolarHBondContact O-N 3Å; P159-A162 VanDerWaalsContact O-N 3.15Å; P159-T163 VanDerWaalsContact O-CG2 3.31Å; P159-T163 WeakPolarHBondContact O-CG2 3.33Å; P159-T163 PolarHBondContact O-N 3.4Å; P159-T163 PolarHBondContact O-OG1 3.23Å; P159-T163 VanDerWaalsContact O-OG1 3.13Å; P159-T447 WeakPolarHBondContact CB-OG1 3.09Å; P159-T447 HydrophobicContact CG-CG2 4Å; P159-T447 WeakPolarHBondContact CG-OG1 3.45Å; P159-M451 HydrophobicContact CB-CE 4.2Å; P159-P480 HydrophobicContact CG-CG 4.46Å
160E89.3Confident88.9Confident2 Ų225.3 Ų25.31%0.00915%0.147CC..Hα-helixtrans-57.5-50.5175.9-74.574.2-17100109.2S157 A162 T163 T164 S477 C512S157-E160 VanDerWaalsContact CA-OE2 3.28Å; S157-E160 WeakPolarHBondContact CA-OE2 3.29Å; S157-E160 PolarHBondContact O-N 3.46Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 3.42Å; E160-T163 WeakPolarHBondContact CA-OG1 3.41Å; E160-T163 PolarHBondContact O-N 3.42Å; E160-T163 PolarHBondContact O-OG1 3.4Å; E160-T164 WeakPolarHBondContact O-CG2 3.32Å; E160-T164 PolarHBondContact O-N 3.45Å; E160-T164 PolarHBondContact O-OG1 2.91Å; E160-T164 VanDerWaalsContact O-OG1 3.12Å; E160-S477 WeakPolarHBondContact OE1-CB 3.42Å; E160-S477 PolarHBondContact OE1-OG 3.23Å; E160-C512 HydrophobicContact CB-CB 4.4Å
161L90.2Very high87.6Confident44 Ų4425.7 Ų25.723%0.2315%0.151CC..Hα-helixtrans-57.5-41.4175.3-177.762000112.6S157 P159 T164 L165 L515S157-L161 PolarHBondContact O-N 2.99Å; S157-L161 VanDerWaalsContact O-N 3.09Å; P159-L161 VanDerWaalsContact C-N 3.33Å; P159-L161 PolarHBondContact O-N 3.36Å; L161-T164 PolarHBondContact O-OG1 2.96Å; L161-T164 VanDerWaalsContact O-OG1 3.06Å; L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.44Å; L161-L165 HydrophobicContact CG-CD1 4.15Å; L161-L165 WeakPolarHBondContact O-CB 3.29Å; L161-L165 WeakPolarHBondContact O-CD1 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.47Å; L161-L165 PolarHBondContact O-N 3.17Å; L161-L515 HydrophobicContact CD1-CD2 4.39Å
162A85.6Confident86.1Confident41 Ų4129.8 Ų29.834%0.33917%0.169SC..Hα-helixtrans-66.9-43.4178.100000112A158 P159 E160 L165 V166A158-A162 PolarHBondContact O-N 3.48Å; A158-A162 VanDerWaalsContact O-N 3.11Å; P159-A162 PolarHBondContact O-N 3Å; P159-A162 VanDerWaalsContact O-N 3.15Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 3.42Å; A162-L165 PolarHBondContact O-N 3.02Å; A162-V166 WeakPolarHBondContact O-CG2 2.7Å; A162-V166 PolarHBondContact O-N 3.38Å
163T81.1Confident84.3Confident40 Ų4033.3 Ų33.325%0.24519%0.187CC..Hα-helixtrans-69.2-37.518058.10000112.3P159 E160 V166 G167 M451P159-T163 VanDerWaalsContact O-CG2 3.31Å; P159-T163 WeakPolarHBondContact O-CG2 3.33Å; P159-T163 PolarHBondContact O-N 3.4Å; P159-T163 PolarHBondContact O-OG1 3.23Å; P159-T163 VanDerWaalsContact O-OG1 3.13Å; E160-T163 WeakPolarHBondContact CA-OG1 3.41Å; E160-T163 PolarHBondContact O-N 3.42Å; E160-T163 PolarHBondContact O-OG1 3.4Å; T163-V166 PolarHBondContact O-N 3.08Å; T163-G167 PolarHBondContact O-N 3.03Å; T163-M451 HydrophobicContact CG2-CE 4.1Å
164T85.4Confident82.6Confident4 Ų435.3 Ų35.33%0.02520%0.198CC..Hα-helixtrans-69.7-40175.257.90000112E160 L161 G167 V168 V180 C512E160-T164 WeakPolarHBondContact O-CG2 3.32Å; E160-T164 PolarHBondContact O-N 3.45Å; E160-T164 PolarHBondContact O-OG1 2.91Å; E160-T164 VanDerWaalsContact O-OG1 3.12Å; L161-T164 PolarHBondContact O-OG1 2.96Å; L161-T164 VanDerWaalsContact O-OG1 3.06Å; T164-G167 PolarHBondContact O-N 3.34Å; T164-V168 WeakPolarHBondContact O-CB 3.43Å; T164-V168 WeakPolarHBondContact O-CG2 3.49Å; T164-V168 PolarHBondContact O-N 3.4Å; T164-V180 HydrophobicContact CG2-CG2 3.32Å; T164-C512 WeakPolarHBondContact CB-O 2.78Å; T164-C512 HydrophobicContact CG2-CB 4.43Å; T164-C512 WeakPolarHBondContact CG2-O 3.08Å; T164-C512 PolarHBondContact OG1-O 3.14Å
165L86.4Confident80.7Confident51 Ų5137.1 Ų37.127%0.26720%0.204SC..Hα-helixtrans-59.4-46.8172.6-78.7169.5000111.5L161 A162 F169 L515 P516 M519L161-L165 HydrophobicContact CD1-CD1 4.3Å; L161-L165 HydrophobicContact CD1-CG 4.44Å; L161-L165 HydrophobicContact CG-CD1 4.15Å; L161-L165 WeakPolarHBondContact O-CB 3.29Å; L161-L165 WeakPolarHBondContact O-CD1 3.49Å; L161-L165 WeakPolarHBondContact O-CG 3.47Å; L161-L165 PolarHBondContact O-N 3.17Å; A162-L165 PolarHBondContact O-N 3.02Å; L165-F169 HydrophobicContact CD2-CD2 4.37Å; L165-F169 HydrophobicContact CD2-CE2 4.17Å; L165-F169 WeakPolarHBondContact O-CB 3.41Å; L165-F169 WeakPolarHBondContact O-CD2 3.01Å; L165-F169 PolarHBondContact O-N 3.47Å; L165-L515 HydrophobicContact CD2-CD2 4.12Å; L165-P516 HydrophobicContact CD2-CB 4.07Å; L165-P516 HydrophobicContact CD2-CG 3.79Å; L165-P516 HydrophobicContact CG-CG 3.95Å; L165-M519 HydrophobicContact CD2-SD 4.19Å
166V80.9Confident79.1Confident63 Ų6337.7 Ų37.738%0.38221%0.209SC..Hα-helixtrans-62.8-44.51761670000111.1A162 T163 V168 I170 A171A162-V166 WeakPolarHBondContact O-CG2 2.7Å; A162-V166 PolarHBondContact O-N 3.38Å; T163-V166 PolarHBondContact O-N 3.08Å; V166-V168 PolarHBondContact O-N 3.12Å; V166-I170 HydrophobicContact CG1-CB 4.33Å; V166-I170 HydrophobicContact CG1-CD1 4.14Å; V166-I170 HydrophobicContact CG1-CG1 4.49Å; V166-I170 HydrophobicContact CG2-CD1 4.38Å; V166-I170 WeakPolarHBondContact O-CA 3.23Å; V166-I170 VanDerWaalsContact O-CB 3.25Å; V166-I170 WeakPolarHBondContact O-CB 3.48Å; V166-I170 PolarHBondContact O-N 3.23Å; V166-A171 PolarHBondContact O-N 3.2Å
167G77.4Confident77.9Confident8 Ų838.1 Ų38.18%0.08221%0.212CC..Iπ-helixtrans-58.1-47.9177.900000112.6T163 T164 A171 K172T163-G167 PolarHBondContact O-N 3.03Å; T164-G167 PolarHBondContact O-N 3.34Å; G167-A171 CarbonylContact O-C 3.36Å; G167-A171 WeakPolarHBondContact O-CB 3.45Å; G167-A171 PolarHBondContact O-N 3.12Å; G167-K172 PolarHBondContact O-N 3.34Å
168V82.1Confident76.8Confident20 Ų2039.8 Ų39.812%0.12123%0.229CC..Iπ-helixtrans-72.9-37.9-176.5172.70000112.9T164 V166 P516 K520T164-V168 WeakPolarHBondContact O-CB 3.43Å; T164-V168 WeakPolarHBondContact O-CG2 3.49Å; T164-V168 PolarHBondContact O-N 3.4Å; V166-V168 PolarHBondContact O-N 3.12Å; V168-P516 HydrophobicContact CB-CB 4.02Å; V168-P516 HydrophobicContact CG1-CB 4.31Å; V168-P516 HydrophobicContact CG2-CB 3.82Å; V168-K520 HydrophobicContact CG1-CB 3.36Å; V168-K520 HydrophobicContact CG1-CD 4.28Å; V168-K520 HydrophobicContact CG1-CG 3.58Å
169F83.9Confident75.8Confident74 Ų7440 Ų4033%0.32523%0.231SC..Iπ-helixtrans-92.1-35-175.8-78.8-80.5000114.5L165 M519 K520 I523L165-F169 HydrophobicContact CD2-CD2 4.37Å; L165-F169 HydrophobicContact CD2-CE2 4.17Å; L165-F169 WeakPolarHBondContact O-CB 3.41Å; L165-F169 WeakPolarHBondContact O-CD2 3.01Å; L165-F169 PolarHBondContact O-N 3.47Å; F169-M519 HydrophobicContact CE2-CB 4.14Å; F169-M519 HydrophobicContact CE2-CE 4.2Å; F169-M519 HydrophobicContact CZ-CB 3.78Å; F169-M519 HydrophobicContact CZ-CE 4.13Å; F169-K520 HydrophobicContact CD1-CD 4.44Å; F169-K520 HydrophobicContact CE1-CD 4.26Å; F169-K520 HydrophobicContact CZ-CB 4.32Å; F169-I523 HydrophobicContact CE1-CD1 3.85Å; F169-I523 HydrophobicContact CZ-CD1 3.98Å
170I76.5Confident75.5Confident82 Ų8240.1 Ų40.142%0.42123%0.232SC..Iπ-helixtrans-101.5-54.5-173.6-53.9-174.2000110.6V75 V166V75-I170 HydrophobicContact CG2-CG2 4.37Å; V166-I170 HydrophobicContact CG1-CB 4.33Å; V166-I170 HydrophobicContact CG1-CD1 4.14Å; V166-I170 HydrophobicContact CG1-CG1 4.49Å; V166-I170 HydrophobicContact CG2-CD1 4.38Å; V166-I170 WeakPolarHBondContact O-CA 3.23Å; V166-I170 VanDerWaalsContact O-CB 3.25Å; V166-I170 WeakPolarHBondContact O-CB 3.48Å; V166-I170 PolarHBondContact O-N 3.23Å
171A68.6Low75Confident19 Ų1940.3 Ų40.316%0.15723%0.233CC..Iπ-helixtrans-74.4-32.2-177.500000112.6V166 G167 D173V166-A171 PolarHBondContact O-N 3.2Å; G167-A171 CarbonylContact O-C 3.36Å; G167-A171 WeakPolarHBondContact O-CB 3.45Å; G167-A171 PolarHBondContact O-N 3.12Å; A171-D173 HydrophobicContact CB-CB 4.33Å; A171-D173 PolarHBondContact O-N 3.07Å
172K66.3Low74.4Confident135 Ų13538.6 Ų38.659%0.58723%0.226SC*.  trans5532-171.6-59-178.4178.4177.30112.8G167G167-K172 PolarHBondContact O-N 3.34Å
173D59Low74.5Confident73 Ų7336.6 Ų36.639%0.3921%0.209SC..SBendtrans-128.1158.9-175.3-72.4-31.7000111.9A171 I175A171-D173 HydrophobicContact CB-CB 4.33Å; A171-D173 PolarHBondContact O-N 3.07Å; D173-I175 HydrophobicContact CB-CD1 4.04Å; D173-I175 HydrophobicContact CB-CG1 4.03Å; D173-I175 PolarHBondContact O-N 3.25Å; D173-I175 VanDerWaalsContact O-N 3.12Å
174D62.3Low75Confident43 Ų4334.8 Ų34.823%0.2320%0.198CC..THydrogen-bonded Turntrans-71.94.1177.8-62.2-39.8000114.4G176 L177 G178 Y531D174-G176 VanDerWaalsContact C-N 3.25Å; D174-G176 PolarHBondContact O-N 2.8Å; D174-L177 VanDerWaalsContact O-CB 3.25Å; D174-L177 WeakPolarHBondContact O-CB 3.46Å; D174-L177 PolarHBondContact O-N 2.77Å; D174-G178 PolarHBondContact O-N 3.18Å; D174-Y531 WeakPolarHBondContact OD2-CB 3.46Å; D174-Y531 VanDerWaalsContact OD2-CD2 3.27Å; D174-Y531 WeakPolarHBondContact OD2-CD2 3.23Å; D174-Y531 PolarHBondContact OD2-N 2.76Å
175I55.7Low75Confident62 Ų6235.2 Ų35.232%0.31820%0.2SC..Hα-helixtrans-61.2-37.9-175.8-60.5168.6000111P86 D173 L177 G178 A179P86-I175 HydrophobicContact CG-CD1 3.74Å; D173-I175 HydrophobicContact CB-CD1 4.04Å; D173-I175 HydrophobicContact CB-CG1 4.03Å; D173-I175 PolarHBondContact O-N 3.25Å; D173-I175 VanDerWaalsContact O-N 3.12Å; I175-L177 PolarHBondContact O-N 3.25Å; I175-G178 PolarHBondContact O-N 3.04Å; I175-A179 PolarHBondContact O-N 2.86Å; I175-A179 VanDerWaalsContact O-N 3.1Å
176G62.2Low75Confident11 Ų1133 Ų3311%0.11319%0.189CC..Hα-helixtrans-60.7-31.5177.200000112.8D174 V180D174-G176 VanDerWaalsContact C-N 3.25Å; D174-G176 PolarHBondContact O-N 2.8Å; G176-V180 VanDerWaalsContact O-CG2 3.29Å; G176-V180 WeakPolarHBondContact O-CG2 3.43Å; G176-V180 PolarHBondContact O-N 2.75Å
177L69.9Low75.5Confident9 Ų930 Ų305%0.04717%0.171CC..Hα-helixtrans-73.3-42.9178.5-175.358000111.3D174 I175 A179 V180 V181 M513 W517 I530 L535D174-L177 VanDerWaalsContact O-CB 3.25Å; D174-L177 WeakPolarHBondContact O-CB 3.46Å; D174-L177 PolarHBondContact O-N 2.77Å; I175-L177 PolarHBondContact O-N 3.25Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.23Å; L177-V180 PolarHBondContact O-N 3.14Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3.15Å; L177-M513 HydrophobicContact CD1-CE 3.37Å; L177-M513 HydrophobicContact CD1-CG 4.31Å; L177-M513 HydrophobicContact CD1-SD 3.38Å; L177-M513 WeakPolarHBondContact CD1-SD 3.46Å; L177-W517 HydrophobicContact CD1-CH2 3.81Å; L177-W517 HydrophobicContact CD1-CZ2 3.59Å; L177-W517 HydrophobicContact CD2-CZ2 4.06Å; L177-W517 HydrophobicContact CG-CZ2 4.35Å; L177-I530 HydrophobicContact CD2-CD1 3.94Å; L177-I530 HydrophobicContact CD2-CG2 3.74Å; L177-L535 HydrophobicContact CD1-CD1 4.31Å; L177-L535 HydrophobicContact CD1-CD2 4.39Å; L177-L535 HydrophobicContact CD2-CD1 4.07Å; L177-L535 HydrophobicContact CD2-CD2 3.26Å; L177-L535 HydrophobicContact CD2-CG 4.28Å; L177-L535 HydrophobicContact CG-CD1 3.71Å; L177-L535 HydrophobicContact CG-CD2 3.84Å; L177-L535 HydrophobicContact CG-CG 4.43Å
178G70.1Confident76.2Confident35 Ų3529.7 Ų29.736%0.36117%0.167SC..Hα-helixtrans-61.6-39.7175.200000113.1D174 I175 G182D174-G178 PolarHBondContact O-N 3.18Å; I175-G178 PolarHBondContact O-N 3.04Å; G178-G182 PolarHBondContact O-N 3.44Å
179A72.2Confident76.7Confident25 Ų2528.9 Ų28.921%0.20716%0.162CC..Hα-helixtrans-63.2-45.2176.200000112.2I175 L177 G182 S183I175-A179 PolarHBondContact O-N 2.86Å; I175-A179 VanDerWaalsContact O-N 3.1Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.23Å; A179-G182 PolarHBondContact O-N 3.38Å; A179-S183 PolarHBondContact O-N 3.44Å; A179-S183 PolarHBondContact O-OG 3.4Å
180V79.6Confident77.2Confident2 Ų227.3 Ų27.31%0.01216%0.156CC..Hα-helixtrans-69.9-40.2-179.7179.30000112.3T164 G176 L177 G182 S183 A184 D508 M513T164-V180 HydrophobicContact CG2-CG2 3.32Å; G176-V180 VanDerWaalsContact O-CG2 3.29Å; G176-V180 WeakPolarHBondContact O-CG2 3.43Å; G176-V180 PolarHBondContact O-N 2.75Å; L177-V180 PolarHBondContact O-N 3.14Å; V180-G182 VanDerWaalsContact C-N 3.3Å; V180-G182 PolarHBondContact O-N 2.98Å; V180-S183 WeakPolarHBondContact CA-OG 3.34Å; V180-S183 PolarHBondContact O-N 3.48Å; V180-S183 PolarHBondContact O-OG 2.86Å; V180-A184 PolarHBondContact O-N 3.39Å; V180-A184 VanDerWaalsContact O-N 3.09Å; V180-D508 HydrophobicContact CG1-CB 3.68Å; V180-M513 HydrophobicContact CB-CE 3.55Å; V180-M513 HydrophobicContact CG1-CE 3.37Å; V180-M513 HydrophobicContact CG1-CG 4.32Å
181V79.4Confident78.1Confident6 Ų623.5 Ų23.54%0.03614%0.137CC..Hα-helixtrans-66-38.5175.1174.70000110.7L177 A184 L224 M513 L535 S538 L542L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3.15Å; V181-A184 PolarHBondContact O-N 2.97Å; V181-L224 HydrophobicContact CG2-CD2 4.49Å; V181-M513 HydrophobicContact CG2-CE 3.82Å; V181-L535 HydrophobicContact CG2-CD1 3.79Å; V181-S538 VanDerWaalsContact CG1-CB 3.44Å; V181-L542 HydrophobicContact CG1-CD1 4Å; V181-L542 HydrophobicContact CG1-CG 4.21Å
182G78.7Confident79.3Confident7 Ų722.6 Ų22.67%0.07213%0.13CC..Hα-helixtrans-60.8-48.8173.100000112.7G178 A179 V180 A184 D185 F186G178-G182 PolarHBondContact O-N 3.44Å; A179-G182 PolarHBondContact O-N 3.38Å; V180-G182 VanDerWaalsContact C-N 3.3Å; V180-G182 PolarHBondContact O-N 2.98Å; G182-A184 PolarHBondContact O-N 3.24Å; G182-D185 PolarHBondContact O-N 3.26Å; G182-F186 VanDerWaalsContact O-CD2 3.27Å; G182-F186 WeakPolarHBondContact O-CD2 3.32Å; G182-F186 PolarHBondContact O-N 3.09Å
183S87.5Confident80.8Confident0 Ų016.2 Ų16.20%010%0.102CC..Hα-helixtrans-63.3-30.2179.465.90000112.5A179 V180 D185 F186 N187 S477 S478A179-S183 PolarHBondContact O-N 3.44Å; A179-S183 PolarHBondContact O-OG 3.4Å; V180-S183 WeakPolarHBondContact CA-OG 3.34Å; V180-S183 PolarHBondContact O-N 3.48Å; V180-S183 PolarHBondContact O-OG 2.86Å; S183-D185 PolarHBondContact O-N 3.25Å; S183-F186 VanDerWaalsContact O-CB 3.3Å; S183-F186 WeakPolarHBondContact O-CB 3.23Å; S183-F186 PolarHBondContact O-N 3.03Å; S183-N187 WeakPolarHBondContact O-CB 3.36Å; S183-N187 PolarHBondContact O-N 3.28Å; S183-S477 WeakPolarHBondContact CB-OG 3.49Å; S183-S478 PolarHBondContact O-OG 3.4Å
184A90Very high82.5Confident1 Ų114.3 Ų14.31%0.0089%0.093CC..Hα-helixtrans-63.7-42.5179.300000113.4V180 V181 G182 F186 N187 I188 N505 L542V180-A184 PolarHBondContact O-N 3.39Å; V180-A184 VanDerWaalsContact O-N 3.09Å; V181-A184 PolarHBondContact O-N 2.97Å; G182-A184 PolarHBondContact O-N 3.24Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 2.98Å; A184-N187 PolarHBondContact O-N 3.5Å; A184-I188 PolarHBondContact O-N 3.38Å; A184-N505 WeakPolarHBondContact CA-ND2 3.12Å; A184-N505 WeakPolarHBondContact CA-OD1 3.32Å; A184-N505 HydrophobicContact CB-CB 4.42Å; A184-N505 PolarHBondContact O-ND2 2.94Å; A184-L542 HydrophobicContact CB-CD1 4.31Å; A184-L542 HydrophobicContact CB-CD2 3.57Å
185D87.1Confident84.1Confident13 Ų1312.3 Ų12.37%0.078%0.082CC..Hα-helixtrans-64.6-35.8173.9-88-30.5000111.6G182 S183 M189 T541 L542 T545G182-D185 PolarHBondContact O-N 3.26Å; S183-D185 PolarHBondContact O-N 3.25Å; D185-M189 PolarHBondContact O-N 2.98Å; D185-T541 PolarHBondContact OD2-OG1 3.35Å; D185-L542 HydrophobicContact CB-CD2 4.38Å; D185-L542 WeakPolarHBondContact OD1-CD2 3.36Å; D185-T545 VanDerWaalsContact OD1-CG2 3.24Å; D185-T545 WeakPolarHBondContact OD1-CG2 3.36Å; D185-T545 PolarHBondContact OD1-OG1 3.14Å
186F85.4Confident86Confident6 Ų69.4 Ų9.43%0.0267%0.067CC..Iπ-helixtrans-63.4-46.9173-86.3-105.1000111.9G182 S183 A184 L190 V191 L470 T471 A474 A475 Y572 L576G182-F186 VanDerWaalsContact O-CD2 3.27Å; G182-F186 WeakPolarHBondContact O-CD2 3.32Å; G182-F186 PolarHBondContact O-N 3.09Å; S183-F186 VanDerWaalsContact O-CB 3.3Å; S183-F186 WeakPolarHBondContact O-CB 3.23Å; S183-F186 PolarHBondContact O-N 3.03Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 2.98Å; F186-L190 HydrophobicContact CD1-CB 4.43Å; F186-L190 HydrophobicContact CD1-CD2 3.58Å; F186-L190 HydrophobicContact CE1-CD2 4Å; F186-L190 VanDerWaalsContact O-CA 3.28Å; F186-L190 WeakPolarHBondContact O-CA 3.44Å; F186-L190 WeakPolarHBondContact O-CB 3.39Å; F186-L190 PolarHBondContact O-N 3.17Å; F186-V191 PolarHBondContact O-N 2.89Å; F186-V191 VanDerWaalsContact O-N 3.08Å; F186-L470 WeakPolarHBondContact CE2-O 3.14Å; F186-T471 WeakPolarHBondContact CZ-O 3.3Å; F186-A474 HydrophobicContact CD2-CB 3.83Å; F186-A474 HydrophobicContact CE2-CB 3.75Å; F186-A474 HydrophobicContact CG-CB 4.47Å; F186-A474 HydrophobicContact CZ-CB 4.31Å; F186-A475 HydrophobicContact CD1-CB 3.99Å; F186-A475 HydrophobicContact CE1-CB 3.45Å; F186-A475 VanDerWaalsContact CE1-CB 3.45Å; F186-A475 HydrophobicContact CZ-CB 4.15Å; F186-Y572 HydrophobicContact CD1-CE2 4.16Å; F186-Y572 HydrophobicContact CD2-CE2 4.02Å; F186-Y572 HydrophobicContact CE1-CE2 4.2Å; F186-Y572 AromaticContact CE1-CZ 3.69Å; F186-Y572 WeakPolarHBondContact CE1-OH 3.26Å; F186-Y572 HydrophobicContact CE2-CE2 4.07Å; F186-Y572 WeakPolarHBondContact CE2-OH 3.5Å; F186-Y572 HydrophobicContact CG-CE2 4.1Å; F186-Y572 HydrophobicContact CZ-CE2 4.2Å; F186-Y572 AromaticContact CZ-CZ 3.8Å; F186-Y572 WeakPolarHBondContact CZ-OH 3.28Å; F186-L576 HydrophobicContact CE2-CD1 4.1Å; F186-L576 HydrophobicContact CZ-CD1 4.15Å
187N91.3Very high87.6Confident0 Ų010.5 Ų10.50%07%0.07CC..Iπ-helixtrans-62.1-49.7-176.7-76.9-9.9000111.5S183 A184 M189 V191 S478 N505S183-N187 WeakPolarHBondContact O-CB 3.36Å; S183-N187 PolarHBondContact O-N 3.28Å; A184-N187 PolarHBondContact O-N 3.5Å; N187-M189 PolarHBondContact O-N 2.7Å; N187-V191 VanDerWaalsContact O-CB 3.27Å; N187-V191 WeakPolarHBondContact O-CB 3.36Å; N187-V191 PolarHBondContact O-N 3.31Å; N187-S478 WeakPolarHBondContact OD1-CB 3.46Å; N187-S478 PolarHBondContact OD1-OG 2.93Å; N187-N505 WeakPolarHBondContact CB-OD1 3.42Å; N187-N505 PolarHBondContact ND2-OD1 2.89Å
188I92.2Very high88.8Confident0 Ų015 Ų150%09%0.09CC..Iπ-helixtrans-75.1-31.8-174.881.6175.5000113.7A184 V192 Y217 N505 T545 V546 L549A184-I188 PolarHBondContact O-N 3.38Å; I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 VanDerWaalsContact O-CG2 3.23Å; I188-V192 WeakPolarHBondContact O-CG2 3.46Å; I188-Y217 HydrophobicContact CD1-CE1 4.41Å; I188-Y217 HydrophobicContact CG2-CE1 3.74Å; I188-N505 WeakPolarHBondContact CG2-ND2 3.45Å; I188-T545 VanDerWaalsContact CD1-OG1 3.27Å; I188-T545 WeakPolarHBondContact CD1-OG1 3.24Å; I188-V546 HydrophobicContact CD1-CG2 3.86Å; I188-L549 HydrophobicContact CB-CD2 4.31Å
189M93Very high89.8Confident3 Ų313.5 Ų13.52%0.0157%0.074CC..Iπ-helixtrans-97.2-55.2-176.6-49.9-173.680.500111.5D185 N187 S193 T545 Y548 Y572 V575D185-M189 PolarHBondContact O-N 2.98Å; N187-M189 PolarHBondContact O-N 2.7Å; M189-S193 WeakPolarHBondContact O-CB 3.27Å; M189-S193 PolarHBondContact O-N 3.12Å; M189-S193 PolarHBondContact O-OG 3.2Å; M189-T545 HydrophobicContact CE-CG2 4.49Å; M189-T545 HydrophobicContact CG-CG2 4.4Å; M189-T545 HydrophobicContact SD-CG2 3.53Å; M189-T545 VanDerWaalsContact SD-CG2 3.53Å; M189-Y548 HydrophobicContact CE-CD1 3.63Å; M189-Y548 HydrophobicContact CE-CE1 3.75Å; M189-Y572 HydrophobicContact CB-CD2 4.06Å; M189-Y572 HydrophobicContact CB-CG 4.23Å; M189-Y572 HydrophobicContact SD-CD2 4.42Å; M189-V575 HydrophobicContact CE-CG2 4.27Å; M189-V575 HydrophobicContact SD-CB 4.35Å; M189-V575 HydrophobicContact SD-CG2 4.05Å
190L93.4Very high90.6Very high41 Ų4119.9 Ų19.922%0.21510%0.097CC..Iπ-helixtrans-72.2-51.7-175.2-174.169.3000111.6F186 V192 S193 V194 L569 Y572F186-L190 HydrophobicContact CD1-CB 4.43Å; F186-L190 HydrophobicContact CD1-CD2 3.58Å; F186-L190 HydrophobicContact CE1-CD2 4Å; F186-L190 VanDerWaalsContact O-CA 3.28Å; F186-L190 WeakPolarHBondContact O-CA 3.44Å; F186-L190 WeakPolarHBondContact O-CB 3.39Å; F186-L190 PolarHBondContact O-N 3.17Å; L190-V192 PolarHBondContact O-N 3.45Å; L190-S193 WeakPolarHBondContact CA-OG 3.5Å; L190-S193 PolarHBondContact O-N 3.35Å; L190-S193 VanDerWaalsContact O-N 3.15Å; L190-S193 PolarHBondContact O-OG 3.46Å; L190-V194 HydrophobicContact CD1-CG2 3.97Å; L190-V194 HydrophobicContact CG-CG2 4.15Å; L190-V194 WeakPolarHBondContact O-CB 3.4Å; L190-V194 VanDerWaalsContact O-CG2 3.3Å; L190-V194 WeakPolarHBondContact O-CG2 3.4Å; L190-V194 PolarHBondContact O-N 3.43Å; L190-L569 HydrophobicContact CD1-CD1 3.69Å; L190-Y572 HydrophobicContact CB-CD1 4.45Å; L190-Y572 HydrophobicContact CB-CD2 4.38Å; L190-Y572 HydrophobicContact CB-CE1 4.48Å; L190-Y572 HydrophobicContact CB-CE2 4.4Å; L190-Y572 HydrophobicContact CB-CG 4.41Å; L190-Y572 HydrophobicContact CD1-CD1 4.09Å; L190-Y572 HydrophobicContact CD1-CE1 4.1Å
191V95.5Very high90.9Very high2 Ų224.3 Ų24.31%0.01212%0.118CC..Iπ-helixtrans-61.4-45.3-176.9171.30000111.2F186 N187 S193 V194 S195 D481 A482 S485 A501F186-V191 PolarHBondContact O-N 2.89Å; F186-V191 VanDerWaalsContact O-N 3.08Å; N187-V191 VanDerWaalsContact O-CB 3.27Å; N187-V191 WeakPolarHBondContact O-CB 3.36Å; N187-V191 PolarHBondContact O-N 3.31Å; V191-S193 PolarHBondContact O-N 2.88Å; V191-V194 PolarHBondContact O-N 3.46Å; V191-S195 WeakPolarHBondContact O-CB 3.45Å; V191-S195 PolarHBondContact O-N 2.89Å; V191-S195 PolarHBondContact O-OG 3.48Å; V191-D481 HydrophobicContact CG1-CB 4.28Å; V191-D481 HydrophobicContact CG2-CB 3.94Å; V191-A482 HydrophobicContact CG2-CB 4.07Å; V191-S485 WeakPolarHBondContact CG1-OG 3.29Å; V191-A501 HydrophobicContact CB-CB 4.39Å; V191-A501 HydrophobicContact CG1-CB 4.07Å
192V95.5Very high91.4Very high1 Ų127.4 Ų27.41%0.00614%0.136CC..Hα-helixtrans-62.7-42.5175.1-177.60000111.4I188 L190 S195 A196 V498 A501 L549 Y564 L568I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 VanDerWaalsContact O-CG2 3.23Å; I188-V192 WeakPolarHBondContact O-CG2 3.46Å; L190-V192 PolarHBondContact O-N 3.45Å; V192-S195 PolarHBondContact O-N 3.1Å; V192-A196 WeakPolarHBondContact O-CB 3.49Å; V192-A196 PolarHBondContact O-N 3.27Å; V192-V498 HydrophobicContact CG1-CG2 4.23Å; V192-V498 HydrophobicContact CG2-CG1 4.42Å; V192-A501 HydrophobicContact CG2-CB 3.48Å; V192-A501 VanDerWaalsContact CG2-CB 3.48Å; V192-L549 HydrophobicContact CG1-CD1 4.22Å; V192-Y564 HydrophobicContact CG1-CE1 3.91Å; V192-L568 HydrophobicContact CB-CD1 3.92Å; V192-L568 HydrophobicContact CG1-CD1 3.55Å
193S96Very high91.9Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-61.9-47178.674.10000112.6M189 L190 V191 S195 A196 L197 G565M189-S193 WeakPolarHBondContact O-CB 3.27Å; M189-S193 PolarHBondContact O-N 3.12Å; M189-S193 PolarHBondContact O-OG 3.2Å; L190-S193 WeakPolarHBondContact CA-OG 3.5Å; L190-S193 PolarHBondContact O-N 3.35Å; L190-S193 VanDerWaalsContact O-N 3.15Å; L190-S193 PolarHBondContact O-OG 3.46Å; V191-S193 PolarHBondContact O-N 2.88Å; S193-S195 VanDerWaalsContact C-N 3.35Å; S193-A196 PolarHBondContact O-N 3Å; S193-L197 VanDerWaalsContact O-CG 3.27Å; S193-L197 WeakPolarHBondContact O-CG 3.41Å; S193-L197 PolarHBondContact O-N 3.19Å; S193-G565 WeakPolarHBondContact CB-O 3.3Å
194V95.6Very high91.8Very high33 Ų3329.6 Ų29.620%0.214%0.143CC..Hα-helixtrans-64.6-43.7-179.7169.90000109.4L190 V191 A196 L197 F198 V486L190-V194 HydrophobicContact CD1-CG2 3.97Å; L190-V194 HydrophobicContact CG-CG2 4.15Å; L190-V194 WeakPolarHBondContact O-CB 3.4Å; L190-V194 VanDerWaalsContact O-CG2 3.3Å; L190-V194 WeakPolarHBondContact O-CG2 3.4Å; L190-V194 PolarHBondContact O-N 3.43Å; V191-V194 PolarHBondContact O-N 3.46Å; V194-A196 PolarHBondContact O-N 3.42Å; V194-L197 PolarHBondContact O-N 3.18Å; V194-L197 VanDerWaalsContact O-N 3.16Å; V194-F198 HydrophobicContact CG1-CD2 3.61Å; V194-F198 HydrophobicContact CG1-CE2 3.83Å; V194-F198 VanDerWaalsContact O-CD2 3.27Å; V194-F198 WeakPolarHBondContact O-CD2 3.48Å; V194-F198 PolarHBondContact O-N 3.29Å; V194-V486 HydrophobicContact CG1-CG2 3.7Å
195S95.5Very high91.8Very high2 Ų229.8 Ų29.81%0.01414%0.144CC..Hα-helixtrans-56.8-48.9174.3-57.50000111V191 V192 S193 L197 F198 A199 S485 V489V191-S195 WeakPolarHBondContact O-CB 3.45Å; V191-S195 PolarHBondContact O-N 2.89Å; V191-S195 PolarHBondContact O-OG 3.48Å; V192-S195 PolarHBondContact O-N 3.1Å; S193-S195 VanDerWaalsContact C-N 3.35Å; S195-L197 VanDerWaalsContact C-N 3.33Å; S195-L197 PolarHBondContact O-N 3.25Å; S195-F198 PolarHBondContact O-N 3.05Å; S195-A199 PolarHBondContact O-N 3.39Å; S195-S485 WeakPolarHBondContact OG-CB 3.33Å; S195-V489 WeakPolarHBondContact O-CG1 3.46Å
196A95.7Very high91.8Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-61.2-36.4176.700000114V192 S193 V194 L560 Y564V192-A196 WeakPolarHBondContact O-CB 3.49Å; V192-A196 PolarHBondContact O-N 3.27Å; S193-A196 PolarHBondContact O-N 3Å; V194-A196 PolarHBondContact O-N 3.42Å; A196-L560 HydrophobicContact CB-CD1 3.7Å; A196-L560 HydrophobicContact CB-CG 3.82Å; A196-Y564 HydrophobicContact CB-CD1 3.97Å; A196-Y564 HydrophobicContact CB-CE1 4.46Å
197L96.3Very high91.9Very high34 Ų3433.7 Ų33.718%0.17816%0.161CC..Hα-helixtrans-72.2-35.9179-71.1173.3000112.8S193 V194 S195 K562 Y566 L569S193-L197 VanDerWaalsContact O-CG 3.27Å; S193-L197 WeakPolarHBondContact O-CG 3.41Å; S193-L197 PolarHBondContact O-N 3.19Å; V194-L197 PolarHBondContact O-N 3.18Å; V194-L197 VanDerWaalsContact O-N 3.16Å; S195-L197 VanDerWaalsContact C-N 3.33Å; S195-L197 PolarHBondContact O-N 3.25Å; L197-K562 HydrophobicContact CD2-CB 4.39Å; L197-Y566 HydrophobicContact CD1-CD1 4.45Å; L197-Y566 HydrophobicContact CD1-CE1 4.34Å; L197-Y566 HydrophobicContact CD2-CD1 3.78Å; L197-Y566 HydrophobicContact CD2-CD2 3.87Å; L197-Y566 HydrophobicContact CD2-CE1 3.59Å; L197-Y566 HydrophobicContact CD2-CE2 3.69Å; L197-Y566 HydrophobicContact CD2-CG 3.91Å; L197-L569 HydrophobicContact CD1-CD2 4.27Å
198F94.8Very high91.9Very high103 Ų10335.3 Ų35.345%0.45217%0.167SC..Hα-helixtrans-91.8-1-179.9-75.1-73.5000114.4V194 S195 K200 V486V194-F198 HydrophobicContact CG1-CD2 3.61Å; V194-F198 HydrophobicContact CG1-CE2 3.83Å; V194-F198 VanDerWaalsContact O-CD2 3.27Å; V194-F198 WeakPolarHBondContact O-CD2 3.48Å; V194-F198 PolarHBondContact O-N 3.29Å; S195-F198 PolarHBondContact O-N 3.05Å; F198-K200 PolarHBondContact O-N 3.49Å; F198-V486 HydrophobicContact CB-CG1 3.81Å; F198-V486 HydrophobicContact CB-CG2 4.26Å; F198-V486 HydrophobicContact CD2-CG2 4.32Å; F198-V486 HydrophobicContact CG-CG1 4.32Å
199A91.6Very high91.9Very high4 Ų435.5 Ų35.53%0.03317%0.169CC..  trans-58.3132.116900000111S195 Q201 I203 V489S195-A199 PolarHBondContact O-N 3.39Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 WeakPolarHBondContact CB-O 3.25Å; A199-I203 HydrophobicContact CB-CD1 4.44Å; A199-V489 HydrophobicContact CB-CG1 3.59Å
200K88Confident91.8Very high160 Ų16035.7 Ų35.770%0.69617%0.17SC*.SBendtrans-72.4-32178.7-68.9174.8-174.4156.20111.9F198 R490F198-K200 PolarHBondContact O-N 3.49Å; K200-R490 HydrophobicContact CG-CG 4.48Å; K200-R490 PolarHBondContact NZ-O 3.48Å; K200-R490 VanDerWaalsContact NZ-O 3.11Å
201Q87Confident91.8Very high95 Ų9536.3 Ų36.344%0.44418%0.175SC..SBendtrans-136.7169.9-177.964.6-166.449.400110.3A199 I203 Q288A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 WeakPolarHBondContact CB-O 3.25Å; Q201-I203 HydrophobicContact CG-CG1 4.29Å; Q201-I203 PolarHBondContact O-N 2.79Å; Q201-Q288 VanDerWaalsContact NE2-OE1 3.14Å
202V90Very high91.8Very high70 Ų7036.6 Ų36.642%0.42418%0.176SC..  trans-73.4123.5170.1178.50000107.7R559 T561V202-R559 HydrophobicContact CG1-CB 4.01Å; V202-T561 HydrophobicContact CG1-CG2 3.76Å; V202-T561 HydrophobicContact CG2-CG2 4.1Å
203I88.7Confident91.8Very high5 Ų536.6 Ų36.63%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-106.1136.2178.6-56.7168000108A199 Q201 V489 L560A199-I203 HydrophobicContact CB-CD1 4.44Å; Q201-I203 HydrophobicContact CG-CG1 4.29Å; Q201-I203 PolarHBondContact O-N 2.79Å; I203-V489 HydrophobicContact CD1-CB 4.43Å; I203-V489 HydrophobicContact CD1-CG1 4.18Å; I203-V489 HydrophobicContact CD1-CG2 4.12Å; I203-V489 WeakPolarHBondContact CD1-O 3.07Å; I203-L560 HydrophobicContact CB-CB 4.2Å; I203-L560 HydrophobicContact CD1-CD2 4.43Å; I203-L560 PolarHBondContact N-O 3.44Å; I203-L560 WeakPolarHBondContact O-CB 3.37Å; I203-L560 PolarHBondContact O-N 3.36Å
204Y86Confident91.8Very high49 Ų4936.8 Ų36.819%0.19218%0.177CC..EExtended strand (participates in β ladder)trans-90.3127.8177.1-67.4-94.4000108.6A276 I287 R559Y204-A276 HydrophobicContact CD1-CB 4.2Å; Y204-I287 HydrophobicContact CD2-CG2 4.47Å; Y204-I287 HydrophobicContact CE2-CG2 4.36Å; Y204-R559 HydrophobicContact CD1-CG 3.83Å; Y204-R559 HydrophobicContact CE1-CG 3.75Å; Y204-R559 VanDerWaalsContact CE1-NE 3.27Å
205L88.3Confident91.8Very high5 Ų537.9 Ų37.93%0.02619%0.19CC..PPolyproline II helixtrans-91.2137.2179.7-64.2173000110.4D495 V498 T553 W558 L560L205-D495 WeakPolarHBondContact CA-OD1 3.41Å; L205-D495 WeakPolarHBondContact CD2-OD1 3.32Å; L205-V498 HydrophobicContact CD1-CG2 4.12Å; L205-V498 HydrophobicContact CD2-CG2 3.9Å; L205-T553 HydrophobicContact CD1-CG2 4.29Å; L205-W558 PolarHBondContact N-O 3.12Å; L205-L560 HydrophobicContact CD1-CB 4.49Å; L205-L560 HydrophobicContact CD1-CD1 4.28Å; L205-L560 HydrophobicContact CG-CB 4.37Å
206N87Confident91.9Very high47 Ų4738.7 Ų38.725%0.25120%0.195SC..PPolyproline II helixtrans-75.1134.4168.8-72.7-47000109.9P209 Q289 H290 D495N206-P209 HydrophobicContact CB-CG 4.14Å; N206-Q289 PolarHBondContact OD1-NE2 2.97Å; N206-H290 PolarHBondContact ND2-NE2 3.22Å; N206-D495 WeakPolarHBondContact CB-OD2 3.45Å; N206-D495 PolarHBondContact N-OD1 3.39Å; N206-D495 PolarHBondContact N-OD2 2.91Å; N206-D495 PolarHBondContact ND2-OD2 3.47Å
207W88.5Confident91.9Very high54 Ų5438.8 Ų38.821%0.20520%0.195CC..Hα-helixtrans-73.5-34.8-174.873.7-88.2000113.1V211 W262 C266 P274 W558W207-V211 HydrophobicContact CE3-CB 4.33Å; W207-V211 HydrophobicContact CE3-CG2 3.98Å; W207-V211 HydrophobicContact CZ3-CB 4.49Å; W207-V211 HydrophobicContact CZ3-CG2 4.48Å; W207-V211 WeakPolarHBondContact O-CB 3.15Å; W207-V211 VanDerWaalsContact O-CG2 3.3Å; W207-V211 WeakPolarHBondContact O-CG2 3.27Å; W207-V211 PolarHBondContact O-N 3.44Å; W207-W262 HydrophobicContact CH2-CD2 4.31Å; W207-W262 HydrophobicContact CH2-CE3 4.22Å; W207-W262 HydrophobicContact CH2-CG 4.5Å; W207-W262 HydrophobicContact CZ2-CB 4.22Å; W207-C266 WeakPolarHBondContact CZ2-SG 3.35Å; W207-P274 HydrophobicContact CB-CG 3.96Å; W207-P274 HydrophobicContact CD2-CG 4.41Å; W207-P274 HydrophobicContact CG-CG 4.1Å; W207-W558 HydrophobicContact CB-CD2 3.98Å; W207-W558 HydrophobicContact CB-CE3 3.8Å; W207-W558 HydrophobicContact CB-CH2 3.7Å; W207-W558 HydrophobicContact CB-CZ2 3.87Å; W207-W558 HydrophobicContact CB-CZ3 3.67Å
208W90.4Very high91.8Very high33 Ų3339.5 Ų39.513%0.12520%0.199CC..Hα-helixtrans-63.5-52.3-174.6168.9-108.1000112.9L210 V211 R212 N255 I258 W262W208-L210 PolarHBondContact O-N 2.85Å; W208-V211 PolarHBondContact O-N 3.48Å; W208-R212 HydrophobicContact CH2-CB 4.48Å; W208-R212 HydrophobicContact CZ2-CB 4.17Å; W208-R212 HydrophobicContact CZ2-CG 4.25Å; W208-R212 VanDerWaalsContact O-CB 3.24Å; W208-R212 WeakPolarHBondContact O-CB 3.3Å; W208-R212 PolarHBondContact O-N 2.98Å; W208-N255 PolarHBondContact NE1-OD1 3.47Å; W208-I258 HydrophobicContact CH2-CG2 3.82Å; W208-I258 HydrophobicContact CZ2-CB 4.34Å; W208-I258 HydrophobicContact CZ2-CG2 3.23Å; W208-W262 AromaticContact CD2-CD1 3.43Å; W208-W262 VanDerWaalsContact CD2-CD1 3.43Å; W208-W262 HydrophobicContact CD2-CG 4.18Å; W208-W262 AromaticContact CD2-NE1 3.8Å; W208-W262 AromaticContact CE2-CD1 3.6Å; W208-W262 AromaticContact CE2-NE1 3.8Å; W208-W262 AromaticContact CE3-CD1 3.4Å; W208-W262 VanDerWaalsContact CE3-CD1 3.4Å; W208-W262 HydrophobicContact CE3-CD2 4.24Å; W208-W262 AromaticContact CE3-CE2 3.92Å; W208-W262 AromaticContact CE3-CG 3.96Å; W208-W262 HydrophobicContact CE3-CG 3.96Å; W208-W262 AromaticContact CE3-NE1 3.4Å; W208-W262 AromaticContact CH2-CD1 3.77Å; W208-W262 AromaticContact CH2-CE2 3.87Å; W208-W262 HydrophobicContact CH2-CZ2 4.3Å; W208-W262 AromaticContact CH2-NE1 3.08Å; W208-W262 AromaticContact CZ2-CD1 3.79Å; W208-W262 AromaticContact CZ2-NE1 3.5Å; W208-W262 AromaticContact CZ3-CD1 3.58Å; W208-W262 HydrophobicContact CZ3-CD2 4.23Å; W208-W262 AromaticContact CZ3-CE2 3.47Å; W208-W262 VanDerWaalsContact CZ3-CE2 3.47Å; W208-W262 HydrophobicContact CZ3-CG 4.3Å; W208-W262 AromaticContact CZ3-CZ2 3.9Å; W208-W262 HydrophobicContact CZ3-CZ2 3.9Å; W208-W262 AromaticContact CZ3-NE1 3.02Å
209P92.4Very high91.9Very high5 Ų538.5 Ų38.53%0.03220%0.198CC..Hα-helixtrans-57.2-45.6178.9-26.835.9000113.1D145 N206 V211 R212 D213D145-P209 HydrophobicContact CB-CB 3.93Å; D145-P209 HydrophobicContact CB-CG 4.13Å; N206-P209 HydrophobicContact CB-CG 4.14Å; P209-V211 PolarHBondContact O-N 3.41Å; P209-R212 PolarHBondContact O-N 2.85Å; P209-D213 WeakPolarHBondContact O-CB 3.42Å; P209-D213 PolarHBondContact O-N 3.06Å
210L92.6Very high92.1Very high6 Ų638.3 Ų38.33%0.03120%0.196CC..Hα-helixtrans-64.2-43.1179.8-178.858.6000112.2W208 S214 V498 V502 L549 L550 T553 W558W208-L210 PolarHBondContact O-N 2.85Å; L210-S214 WeakPolarHBondContact O-CB 3.17Å; L210-S214 PolarHBondContact O-N 3.27Å; L210-S214 PolarHBondContact O-OG 3.32Å; L210-V498 HydrophobicContact CD1-CG1 3.58Å; L210-V502 HydrophobicContact CD1-CG2 4.15Å; L210-L549 HydrophobicContact CD1-CD2 4.49Å; L210-L550 HydrophobicContact CD2-CD2 4.31Å; L210-L550 HydrophobicContact CG-CD2 4.09Å; L210-T553 HydrophobicContact CD2-CG2 3.7Å; L210-W558 HydrophobicContact CB-CZ3 3.95Å; L210-W558 HydrophobicContact CD2-CE3 4.3Å; L210-W558 HydrophobicContact CD2-CH2 4.25Å; L210-W558 HydrophobicContact CD2-CZ3 3.57Å; L210-W558 HydrophobicContact CG-CZ3 4.2Å
211V93Very high92.3Very high55 Ų5530.9 Ų30.933%0.33316%0.164SC..Hα-helixtrans-66.2-43.5178.1169.70000110.8W207 W208 P209 A215 W558W207-V211 HydrophobicContact CE3-CB 4.33Å; W207-V211 HydrophobicContact CE3-CG2 3.98Å; W207-V211 HydrophobicContact CZ3-CB 4.49Å; W207-V211 HydrophobicContact CZ3-CG2 4.48Å; W207-V211 WeakPolarHBondContact O-CB 3.15Å; W207-V211 VanDerWaalsContact O-CG2 3.3Å; W207-V211 WeakPolarHBondContact O-CG2 3.27Å; W207-V211 PolarHBondContact O-N 3.44Å; W208-V211 PolarHBondContact O-N 3.48Å; P209-V211 PolarHBondContact O-N 3.41Å; V211-A215 WeakPolarHBondContact O-CB 3.14Å; V211-A215 PolarHBondContact O-N 2.87Å; V211-W558 HydrophobicContact CG2-CH2 3.97Å
212R94.7Very high92.6Very high8 Ų830 Ų303%0.0316%0.162CC..Hα-helixtrans-57-53.8176.1175-160.469.2-163.61.4111.1D145 W208 P209 A215 V216 L251 M252 N255D145-R212 IonicContact OD2-CZ 3.26Å; D145-R212 IonicContact OD2-NH1 3.46Å; D145-R212 PolarHBondContact OD2-NH1 3.16Å; D145-R212 IonicContact OD2-NH2 3.78Å; D145-R212 PolarHBondContact OD2-NH2 2.92Å; D145-R212 VanDerWaalsContact OD2-NH2 3.11Å; W208-R212 HydrophobicContact CH2-CB 4.48Å; W208-R212 HydrophobicContact CZ2-CB 4.17Å; W208-R212 HydrophobicContact CZ2-CG 4.25Å; W208-R212 VanDerWaalsContact O-CB 3.24Å; W208-R212 WeakPolarHBondContact O-CB 3.3Å; W208-R212 PolarHBondContact O-N 2.98Å; P209-R212 PolarHBondContact O-N 2.85Å; R212-A215 PolarHBondContact O-N 3.33Å; R212-V216 PolarHBondContact O-N 3.5Å; R212-V216 VanDerWaalsContact O-N 3.17Å; R212-L251 HydrophobicContact CG-CD2 3.71Å; R212-M252 HydrophobicContact CG-CE 4.4Å; R212-M252 VanDerWaalsContact CZ-CE 3.49Å; R212-M252 VanDerWaalsContact CZ-SD 3.51Å; R212-N255 PolarHBondContact NH1-ND2 2.95Å; R212-N255 PolarHBondContact NH1-OD1 2.76Å
213D96.2Very high92.8Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-67.6-41.3-176.2-61.2-13.3000110.5P209 A215 V216 Y217 Y248 M252 S499 V502P209-D213 WeakPolarHBondContact O-CB 3.42Å; P209-D213 PolarHBondContact O-N 3.06Å; D213-A215 VanDerWaalsContact C-N 3.35Å; D213-A215 PolarHBondContact O-N 3.26Å; D213-V216 PolarHBondContact O-N 3.41Å; D213-Y217 VanDerWaalsContact O-CB 3.31Å; D213-Y217 WeakPolarHBondContact O-CB 3.25Å; D213-Y217 PolarHBondContact O-N 3.33Å; D213-Y248 PolarHBondContact OD1-OH 2.78Å; D213-M252 WeakPolarHBondContact OD1-CE 3.27Å; D213-S499 VanDerWaalsContact OD2-CB 3.25Å; D213-S499 WeakPolarHBondContact OD2-CB 3.14Å; D213-S499 PolarHBondContact OD2-OG 2.82Å; D213-V502 HydrophobicContact CB-CB 4.15Å; D213-V502 HydrophobicContact CB-CG1 3.76Å
214S95.4Very high93Very high4 Ų428 Ų283%0.02815%0.148CC..Hα-helixtrans-68-33.1177.9-56.80000112.7L210 Y217 L218L210-S214 WeakPolarHBondContact O-CB 3.17Å; L210-S214 PolarHBondContact O-N 3.27Å; L210-S214 PolarHBondContact O-OG 3.32Å; S214-Y217 PolarHBondContact O-N 3.2Å; S214-L218 WeakPolarHBondContact O-CB 3.06Å; S214-L218 PolarHBondContact O-N 3.07Å
215A96.1Very high93.2Very high57 Ų5727.5 Ų27.547%0.47115%0.154SC..Hα-helixtrans-67.7-43.2176.400000111.4V211 R212 D213 Y217 L218 L219V211-A215 WeakPolarHBondContact O-CB 3.14Å; V211-A215 PolarHBondContact O-N 2.87Å; R212-A215 PolarHBondContact O-N 3.33Å; D213-A215 VanDerWaalsContact C-N 3.35Å; D213-A215 PolarHBondContact O-N 3.26Å; A215-Y217 VanDerWaalsContact C-N 3.35Å; A215-L218 PolarHBondContact O-N 3.05Å; A215-L219 PolarHBondContact O-N 3.42Å
216V96.9Very high93.3Very high19 Ų1932.6 Ų32.612%0.11518%0.181CC..Hα-helixtrans-68.6-38.3175.3179.40000110.5R212 D213 L218 L219 S220 Y248 V506R212-V216 PolarHBondContact O-N 3.5Å; R212-V216 VanDerWaalsContact O-N 3.17Å; D213-V216 PolarHBondContact O-N 3.41Å; V216-L218 PolarHBondContact O-N 3.27Å; V216-L219 CarbonylContact O-C 3.58Å; V216-L219 WeakPolarHBondContact O-CB 3.41Å; V216-L219 PolarHBondContact O-N 2.93Å; V216-S220 PolarHBondContact O-N 3.49Å; V216-S220 PolarHBondContact O-OG 2.83Å; V216-Y248 HydrophobicContact CB-CD2 3.92Å; V216-Y248 HydrophobicContact CB-CE2 4Å; V216-Y248 HydrophobicContact CG1-CD2 3.58Å; V216-Y248 HydrophobicContact CG1-CE2 4.03Å; V216-Y248 HydrophobicContact CG1-CG 3.94Å; V216-Y248 HydrophobicContact CG2-CD2 3.75Å; V216-Y248 HydrophobicContact CG2-CE2 4.04Å; V216-V506 HydrophobicContact CG1-CG1 3.93Å
217Y95.9Very high93.5Very high1 Ų130.9 Ų30.90%0.00417%0.172CC..Hα-helixtrans-61.5-43.2173.9-178.2-144.5000112.8I188 D213 S214 A215 L219 S220 I221 V502 N505 V506 I509 V546I188-Y217 HydrophobicContact CD1-CE1 4.41Å; I188-Y217 HydrophobicContact CG2-CE1 3.74Å; D213-Y217 VanDerWaalsContact O-CB 3.31Å; D213-Y217 WeakPolarHBondContact O-CB 3.25Å; D213-Y217 PolarHBondContact O-N 3.33Å; S214-Y217 PolarHBondContact O-N 3.2Å; A215-Y217 VanDerWaalsContact C-N 3.35Å; Y217-L219 VanDerWaalsContact C-N 3.3Å; Y217-L219 PolarHBondContact O-N 3.41Å; Y217-S220 WeakPolarHBondContact O-CB 3.4Å; Y217-S220 PolarHBondContact O-N 3.36Å; Y217-S220 VanDerWaalsContact O-N 3.12Å; Y217-I221 HydrophobicContact CD1-CD1 4.34Å; Y217-I221 HydrophobicContact CD2-CD1 4.16Å; Y217-I221 HydrophobicContact CD2-CG1 4.11Å; Y217-I221 HydrophobicContact CE1-CD1 4Å; Y217-I221 HydrophobicContact CE2-CD1 3.78Å; Y217-I221 HydrophobicContact CE2-CG1 3.74Å; Y217-I221 HydrophobicContact CG-CD1 4.41Å; Y217-I221 WeakPolarHBondContact O-CG1 3.13Å; Y217-I221 PolarHBondContact O-N 3.37Å; Y217-V502 HydrophobicContact CD1-CG1 4.13Å; Y217-V502 HydrophobicContact CG-CG1 4.29Å; Y217-N505 HydrophobicContact CD2-CB 3.97Å; Y217-N505 HydrophobicContact CE1-CB 4.29Å; Y217-N505 HydrophobicContact CE2-CB 3.48Å; Y217-N505 VanDerWaalsContact CE2-CB 3.48Å; Y217-N505 PolarHBondContact OH-ND2 2.99Å; Y217-V506 HydrophobicContact CD2-CG2 4.24Å; Y217-V506 HydrophobicContact CG-CG2 4.26Å; Y217-I509 HydrophobicContact CD2-CD1 4.31Å; Y217-I509 HydrophobicContact CE2-CD1 3.7Å; Y217-V546 HydrophobicContact CD1-CG2 3.34Å; Y217-V546 HydrophobicContact CE1-CG2 3.12Å; Y217-V546 HydrophobicContact CG-CG2 4.49Å
218L95.2Very high93.4Very high50 Ų5028.5 Ų28.526%0.26216%0.164SC..Hα-helixtrans-61-41.3174.5-162.667.1000111.7S214 A215 V216 S220 I221 I222 F543S214-L218 WeakPolarHBondContact O-CB 3.06Å; S214-L218 PolarHBondContact O-N 3.07Å; A215-L218 PolarHBondContact O-N 3.05Å; V216-L218 PolarHBondContact O-N 3.27Å; L218-S220 VanDerWaalsContact C-N 3.35Å; L218-I221 PolarHBondContact O-N 3.02Å; L218-I222 HydrophobicContact CG-CD1 4.4Å; L218-I222 VanDerWaalsContact O-CG1 3.31Å; L218-I222 WeakPolarHBondContact O-CG1 3.45Å; L218-I222 PolarHBondContact O-N 3.33Å; L218-F543 HydrophobicContact CD1-CD2 3.3Å; L218-F543 HydrophobicContact CD1-CE2 3.25Å; L218-F543 HydrophobicContact CD1-CG 4.17Å; L218-F543 HydrophobicContact CD1-CZ 4.07Å; L218-F543 HydrophobicContact CD2-CE2 4.15Å; L218-F543 HydrophobicContact CG-CD2 4.3Å; L218-F543 HydrophobicContact CG-CE2 3.87Å
219L95.9Very high93.3Very high81 Ų8135.9 Ų35.942%0.42419%0.193SC..Hα-helixtrans-60.8-43.5173.1178.165.8000111.2A215 V216 Y217 I221 I222 L223 V244A215-L219 PolarHBondContact O-N 3.42Å; V216-L219 CarbonylContact O-C 3.58Å; V216-L219 WeakPolarHBondContact O-CB 3.41Å; V216-L219 PolarHBondContact O-N 2.93Å; Y217-L219 VanDerWaalsContact C-N 3.3Å; Y217-L219 PolarHBondContact O-N 3.41Å; L219-I221 PolarHBondContact O-N 2.83Å; L219-I222 PolarHBondContact O-N 2.94Å; L219-L223 HydrophobicContact CD1-CD1 4.37Å; L219-L223 HydrophobicContact CD1-CG 4.39Å; L219-L223 HydrophobicContact CG-CD1 4.08Å; L219-L223 WeakPolarHBondContact O-CB 3.42Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.32Å; L219-L223 PolarHBondContact O-N 3.18Å; L219-V244 HydrophobicContact CD2-CG1 4.31Å
220S95.1Very high93.1Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-60.9-42.1175.7-59.10000112.4V216 Y217 L218 L223 L224 L510V216-S220 PolarHBondContact O-N 3.49Å; V216-S220 PolarHBondContact O-OG 2.83Å; Y217-S220 WeakPolarHBondContact O-CB 3.4Å; Y217-S220 PolarHBondContact O-N 3.36Å; Y217-S220 VanDerWaalsContact O-N 3.12Å; L218-S220 VanDerWaalsContact C-N 3.35Å; S220-L223 PolarHBondContact O-N 3.47Å; S220-L224 WeakPolarHBondContact O-CB 3.49Å; S220-L224 PolarHBondContact O-N 3.44Å; S220-L510 WeakPolarHBondContact OG-CD1 3.35Å; S220-L510 WeakPolarHBondContact OG-CG 3.26Å
221I93.8Very high92.8Very high4 Ų442.6 Ų42.62%0.02123%0.226CC..Hα-helixtrans-62.8-44.3175.8-66.1167000110.7Y217 L218 L219 L224 A225 I509 T539 L542 F543 V546Y217-I221 HydrophobicContact CD1-CD1 4.34Å; Y217-I221 HydrophobicContact CD2-CD1 4.16Å; Y217-I221 HydrophobicContact CD2-CG1 4.11Å; Y217-I221 HydrophobicContact CE1-CD1 4Å; Y217-I221 HydrophobicContact CE2-CD1 3.78Å; Y217-I221 HydrophobicContact CE2-CG1 3.74Å; Y217-I221 HydrophobicContact CG-CD1 4.41Å; Y217-I221 WeakPolarHBondContact O-CG1 3.13Å; Y217-I221 PolarHBondContact O-N 3.37Å; L218-I221 PolarHBondContact O-N 3.02Å; L219-I221 PolarHBondContact O-N 2.83Å; I221-L224 PolarHBondContact O-N 3.39Å; I221-A225 WeakPolarHBondContact O-CB 3.39Å; I221-A225 PolarHBondContact O-N 3.35Å; I221-I509 HydrophobicContact CG1-CD1 4.04Å; I221-T539 HydrophobicContact CG2-CG2 3.66Å; I221-L542 HydrophobicContact CD1-CB 3.9Å; I221-L542 HydrophobicContact CG1-CB 4.33Å; I221-F543 HydrophobicContact CG2-CB 4.49Å; I221-V546 HydrophobicContact CD1-CG2 4.01Å
222I93.5Very high92.6Very high78 Ų7842.6 Ų42.640%0.422%0.223SC..Hα-helixtrans-63.7-44.7178.2-68.2164.5000110.5L218 L219 A225 L226L218-I222 HydrophobicContact CG-CD1 4.4Å; L218-I222 VanDerWaalsContact O-CG1 3.31Å; L218-I222 WeakPolarHBondContact O-CG1 3.45Å; L218-I222 PolarHBondContact O-N 3.33Å; L219-I222 PolarHBondContact O-N 2.94Å; I222-A225 WeakPolarHBondContact O-CB 3.44Å; I222-A225 PolarHBondContact O-N 3.37Å; I222-L226 HydrophobicContact CG2-CD1 4.29Å; I222-L226 WeakPolarHBondContact O-CG 3.32Å; I222-L226 PolarHBondContact O-N 3.03Å
223L93.9Very high92.3Very high31 Ų3142.2 Ų42.216%0.16222%0.222CC..Hα-helixtrans-61.8-44.3176.5-72.4170.8000111.4L219 S220 A225 L226 V227 L241 V244L219-L223 HydrophobicContact CD1-CD1 4.37Å; L219-L223 HydrophobicContact CD1-CG 4.39Å; L219-L223 HydrophobicContact CG-CD1 4.08Å; L219-L223 WeakPolarHBondContact O-CB 3.42Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.32Å; L219-L223 PolarHBondContact O-N 3.18Å; S220-L223 PolarHBondContact O-N 3.47Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 3.27Å; L223-L226 PolarHBondContact O-N 3.4Å; L223-V227 VanDerWaalsContact O-CG2 3.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 2.82Å; L223-L241 HydrophobicContact CB-CD2 4.01Å; L223-V244 HydrophobicContact CD1-CB 4.2Å; L223-V244 HydrophobicContact CD1-CG1 3.92Å; L223-V244 HydrophobicContact CD1-CG2 3.75Å
224L91.9Very high92.1Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-57.2-47.9174.1179.561.8000111V181 S220 I221 L226 V227 I228 I509 M513 W517V181-L224 HydrophobicContact CG2-CD2 4.49Å; S220-L224 WeakPolarHBondContact O-CB 3.49Å; S220-L224 PolarHBondContact O-N 3.44Å; I221-L224 PolarHBondContact O-N 3.39Å; L224-L226 VanDerWaalsContact C-N 3.27Å; L224-L226 PolarHBondContact O-N 3.09Å; L224-V227 PolarHBondContact O-N 3.42Å; L224-I228 HydrophobicContact CD1-CG2 3.95Å; L224-I228 VanDerWaalsContact O-CG1 3.31Å; L224-I228 WeakPolarHBondContact O-CG1 3.37Å; L224-I228 WeakPolarHBondContact O-CG2 3.35Å; L224-I228 PolarHBondContact O-N 2.91Å; L224-I509 HydrophobicContact CB-CG2 3.9Å; L224-I509 HydrophobicContact CD2-CD1 4.22Å; L224-I509 HydrophobicContact CD2-CG1 4.27Å; L224-I509 HydrophobicContact CD2-CG2 4.18Å; L224-I509 HydrophobicContact CG-CG2 4.45Å; L224-M513 HydrophobicContact CD1-SD 3.62Å; L224-M513 HydrophobicContact CD2-CE 4.19Å; L224-M513 HydrophobicContact CD2-SD 4.08Å; L224-W517 HydrophobicContact CD1-CH2 3.84Å; L224-W517 HydrophobicContact CD1-CZ3 4.18Å
225A90.4Very high92.1Very high39 Ų3953 Ų5332%0.32226%0.263SS..Hα-helixtrans-58.9-36.8178.300000112.9I221 I222 L223 I228 Y229 T539I221-A225 WeakPolarHBondContact O-CB 3.39Å; I221-A225 PolarHBondContact O-N 3.35Å; I222-A225 WeakPolarHBondContact O-CB 3.44Å; I222-A225 PolarHBondContact O-N 3.37Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 3.27Å; A225-I228 WeakPolarHBondContact O-CG1 3.36Å; A225-Y229 WeakPolarHBondContact O-CB 3.48Å; A225-Y229 PolarHBondContact O-N 3.03Å; A225-T539 HydrophobicContact CB-CG2 4Å
226L91.2Very high92.1Very high112 Ų11255.4 Ų55.459%0.58626%0.26SS*.Hα-helixtrans-70.9-41.2176.2-69.1173.6000112.2I222 L223 L224 I228 Y229I222-L226 HydrophobicContact CG2-CD1 4.29Å; I222-L226 WeakPolarHBondContact O-CG 3.32Å; I222-L226 PolarHBondContact O-N 3.03Å; L223-L226 PolarHBondContact O-N 3.4Å; L224-L226 VanDerWaalsContact C-N 3.27Å; L224-L226 PolarHBondContact O-N 3.09Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.08Å; L226-Y229 WeakPolarHBondContact O-CB 3.31Å; L226-Y229 PolarHBondContact O-N 3.4Å
227V90Very high91.9Very high11 Ų1155.7 Ų55.77%0.06726%0.261CS..Hα-helixtrans-69.1-30.3-179.3171.40000112.5L223 L224 V233 E237 W517L223-V227 VanDerWaalsContact O-CG2 3.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 2.82Å; L224-V227 PolarHBondContact O-N 3.42Å; V227-V233 HydrophobicContact CG1-CB 4.37Å; V227-V233 HydrophobicContact CG1-CG1 3.89Å; V227-V233 HydrophobicContact CG1-CG2 3.79Å; V227-E237 HydrophobicContact CG1-CB 4.11Å; V227-E237 HydrophobicContact CG2-CB 3.93Å; V227-W517 HydrophobicContact CG1-CZ3 4.05Å
228I87Confident91.8Very high5 Ų555.7 Ų55.73%0.02626%0.261CS..THydrogen-bonded Turntrans-91.3-6.2179.569.2-178.8000113.1L224 A225 L226 D230 E231 W517 I530 S532 L535L224-I228 HydrophobicContact CD1-CG2 3.95Å; L224-I228 VanDerWaalsContact O-CG1 3.31Å; L224-I228 WeakPolarHBondContact O-CG1 3.37Å; L224-I228 WeakPolarHBondContact O-CG2 3.35Å; L224-I228 PolarHBondContact O-N 2.91Å; A225-I228 WeakPolarHBondContact O-CG1 3.36Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.08Å; I228-D230 VanDerWaalsContact C-N 3.35Å; I228-D230 PolarHBondContact O-N 3.23Å; I228-E231 PolarHBondContact O-N 3.34Å; I228-W517 HydrophobicContact CG2-CH2 4.38Å; I228-I530 HydrophobicContact CG2-CD1 4.09Å; I228-S532 PolarHBondContact O-OG 2.93Å; I228-S532 VanDerWaalsContact O-OG 3.07Å; I228-L535 HydrophobicContact CB-CD2 4.02Å; I228-L535 HydrophobicContact CD1-CD2 3.59Å; I228-L535 HydrophobicContact CD1-CG 3.78Å; I228-L535 HydrophobicContact CG1-CD2 4.35Å; I228-L535 HydrophobicContact CG2-CD2 3.81Å
229Y87.3Confident91.9Very high187 Ų18753.9 Ų53.973%0.73325%0.254SS*.THydrogen-bonded Turntrans-63.6-38.4-169.6175.7-99.8000113A225 L226A225-Y229 WeakPolarHBondContact O-CB 3.48Å; A225-Y229 PolarHBondContact O-N 3.03Å; L226-Y229 WeakPolarHBondContact O-CB 3.31Å; L226-Y229 PolarHBondContact O-N 3.4Å
230D88.5Confident92Very high65 Ų6553.8 Ų53.835%0.34825%0.253SS..THydrogen-bonded Turntrans-95.48-177.969.9-16.4000113.4I228 L232I228-D230 VanDerWaalsContact C-N 3.35Å; I228-D230 PolarHBondContact O-N 3.23Å; D230-L232 PolarHBondContact O-N 3.45Å; D230-L232 VanDerWaalsContact O-N 3.09Å; D230-L232 PolarHBondContact OD1-N 3.14Å; D230-L232 VanDerWaalsContact OD1-N 3.08Å
231E86.1Confident92Very high88 Ų8853.8 Ų53.841%0.41125%0.253SS..SBendtrans61.59.5-177.5-64.7-179.217400113.6I228 I529 I530 S532I228-E231 PolarHBondContact O-N 3.34Å; E231-I529 CarbonylContact O-C 3.6Å; E231-I529 WeakPolarHBondContact O-CA 3.26Å; E231-I530 VanDerWaalsContact CB-O 3.25Å; E231-I530 WeakPolarHBondContact CB-O 3.38Å; E231-I530 WeakPolarHBondContact CG-O 3.48Å; E231-I530 PolarHBondContact O-N 3.1Å; E231-S532 WeakPolarHBondContact CG-OG 3.37Å
232L89Confident92.2Very high54 Ų5455.9 Ų55.928%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-134101.4-172.7-69176.9000111.8D230 Y234 P527 I528 I529D230-L232 PolarHBondContact O-N 3.45Å; D230-L232 VanDerWaalsContact O-N 3.09Å; D230-L232 PolarHBondContact OD1-N 3.14Å; D230-L232 VanDerWaalsContact OD1-N 3.08Å; L232-Y234 HydrophobicContact CB-CE2 4.23Å; L232-Y234 WeakPolarHBondContact O-CD2 3.2Å; L232-Y234 PolarHBondContact O-N 3.28Å; L232-P527 HydrophobicContact CB-CB 4.29Å; L232-P527 HydrophobicContact CD2-CB 4.27Å; L232-P527 HydrophobicContact CD2-CG 4.28Å; L232-I528 CarbonylContact C-O 3.6Å; L232-I528 WeakPolarHBondContact CA-O 3.47Å; L232-I529 HydrophobicContact CD2-CB 4.46Å; L232-I529 HydrophobicContact CD2-CG1 3.73Å
233V89.7Confident92.4Very high0 Ų057.4 Ų57.40%027%0.272CS..EExtended strand (participates in β ladder)trans-83.3114177.3-176.60000111.1V227 E237 S238 W517 P527 I528 I530V227-V233 HydrophobicContact CG1-CB 4.37Å; V227-V233 HydrophobicContact CG1-CG1 3.89Å; V227-V233 HydrophobicContact CG1-CG2 3.79Å; V233-E237 WeakPolarHBondContact CA-OE2 3.48Å; V233-S238 VanDerWaalsContact CG1-OG 3.27Å; V233-S238 WeakPolarHBondContact CG1-OG 3.25Å; V233-W517 HydrophobicContact CG1-CB 4.21Å; V233-W517 HydrophobicContact CG1-CD2 4.15Å; V233-W517 HydrophobicContact CG1-CE3 3.88Å; V233-W517 HydrophobicContact CG1-CG 4.34Å; V233-W517 HydrophobicContact CG2-CE3 4.39Å; V233-W517 HydrophobicContact CG2-CZ3 4.42Å; V233-P527 WeakPolarHBondContact O-CA 3.27Å; V233-I528 HydrophobicContact CB-CB 4.28Å; V233-I528 PolarHBondContact N-O 3.36Å; V233-I528 PolarHBondContact O-N 2.98Å; V233-I530 HydrophobicContact CG2-CD1 3.26Å; V233-I530 HydrophobicContact CG2-CG1 4.05Å
234Y92.3Very high92.6Very high81 Ų8157 Ų5732%0.31827%0.271SS..  trans-84.7154.7171.4-64.6-87.7000112L232 Y236 E237 S238 P527L232-Y234 HydrophobicContact CB-CE2 4.23Å; L232-Y234 WeakPolarHBondContact O-CD2 3.2Å; L232-Y234 PolarHBondContact O-N 3.28Å; Y234-Y236 AromaticContact CD1-CE1 3.9Å; Y234-Y236 HydrophobicContact CD1-CE1 3.9Å; Y234-Y236 HydrophobicContact CD2-CE1 4.11Å; Y234-Y236 AromaticContact CD2-CZ 3.98Å; Y234-Y236 WeakPolarHBondContact CD2-OH 3.27Å; Y234-Y236 HydrophobicContact CG-CD1 4.33Å; Y234-Y236 AromaticContact CG-CE1 3.47Å; Y234-Y236 HydrophobicContact CG-CE1 3.47Å; Y234-Y236 VanDerWaalsContact CG-CE1 3.47Å; Y234-Y236 AromaticContact CG-CZ 3.82Å; Y234-Y236 PolarHBondContact O-N 2.83Å; Y234-E237 PolarHBondContact N-OE2 3.43Å; Y234-E237 WeakPolarHBondContact O-CB 3.24Å; Y234-E237 PolarHBondContact O-N 3.13Å; Y234-S238 PolarHBondContact O-N 3.31Å; Y234-S238 PolarHBondContact O-OG 2.89Å; Y234-P527 HydrophobicContact CD1-CB 4.2Å; Y234-P527 HydrophobicContact CE1-CB 4.16Å; Y234-P527 HydrophobicContact CE1-CG 4.42Å
235W94.5Very high92.9Very high149 Ų14958.6 Ų58.656%0.56428%0.277SS*.Hα-helixtrans-58.1-35.5178.770.9-91.1000112.9S238 G239 L518 S521 I522W235-S238 PolarHBondContact O-N 3.22Å; W235-G239 PolarHBondContact O-N 3.22Å; W235-L518 HydrophobicContact CB-CD1 4.43Å; W235-L518 HydrophobicContact CE3-CD1 4.45Å; W235-L518 WeakPolarHBondContact O-CD1 3.42Å; W235-S521 WeakPolarHBondContact CB-OG 3.42Å; W235-S521 PolarHBondContact N-OG 3.32Å; W235-S521 VanDerWaalsContact N-OG 3.15Å; W235-I522 HydrophobicContact CB-CG1 4.15Å
236Y95.4Very high93.3Very high108 Ų10858.6 Ų58.642%0.42428%0.281SS..Hα-helixtrans-72.3-32.9-177.962-93.7000111.9Y234 G239 I240Y234-Y236 AromaticContact CD1-CE1 3.9Å; Y234-Y236 HydrophobicContact CD1-CE1 3.9Å; Y234-Y236 HydrophobicContact CD2-CE1 4.11Å; Y234-Y236 AromaticContact CD2-CZ 3.98Å; Y234-Y236 WeakPolarHBondContact CD2-OH 3.27Å; Y234-Y236 HydrophobicContact CG-CD1 4.33Å; Y234-Y236 AromaticContact CG-CE1 3.47Å; Y234-Y236 HydrophobicContact CG-CE1 3.47Å; Y234-Y236 VanDerWaalsContact CG-CE1 3.47Å; Y234-Y236 AromaticContact CG-CZ 3.82Å; Y234-Y236 PolarHBondContact O-N 2.83Å; Y236-G239 CarbonylContact O-C 3.56Å; Y236-G239 WeakPolarHBondContact O-CA 3.4Å; Y236-G239 PolarHBondContact O-N 3.42Å; Y236-I240 WeakPolarHBondContact O-CG1 3.31Å; Y236-I240 PolarHBondContact O-N 3.45Å
237E94.2Very high93.6Very high26 Ų2658.1 Ų58.112%0.12128%0.278CS..Hα-helixtrans-65.1-44.8173.5-66.6172.9155.400111V227 V233 Y234 G239 I240 L241V227-E237 HydrophobicContact CG1-CB 4.11Å; V227-E237 HydrophobicContact CG2-CB 3.93Å; V233-E237 WeakPolarHBondContact CA-OE2 3.48Å; Y234-E237 PolarHBondContact N-OE2 3.43Å; Y234-E237 WeakPolarHBondContact O-CB 3.24Å; Y234-E237 PolarHBondContact O-N 3.13Å; E237-G239 VanDerWaalsContact C-N 3.27Å; E237-G239 PolarHBondContact O-N 2.85Å; E237-I240 WeakPolarHBondContact O-CB 3.4Å; E237-I240 PolarHBondContact O-N 2.82Å; E237-I240 VanDerWaalsContact O-N 3.15Å; E237-L241 PolarHBondContact O-N 2.97Å
238S93.9Very high93.9Very high0 Ų057.8 Ų57.80%028%0.276CS..Hα-helixtrans-61.1-39172-560000111.5V233 Y234 W235 I240 L241 I242 W517V233-S238 VanDerWaalsContact CG1-OG 3.27Å; V233-S238 WeakPolarHBondContact CG1-OG 3.25Å; Y234-S238 PolarHBondContact O-N 3.31Å; Y234-S238 PolarHBondContact O-OG 2.89Å; W235-S238 PolarHBondContact O-N 3.22Å; S238-I240 VanDerWaalsContact C-N 3.34Å; S238-I240 PolarHBondContact O-N 3.32Å; S238-L241 WeakPolarHBondContact O-CB 3.34Å; S238-L241 PolarHBondContact O-N 3.19Å; S238-I242 PolarHBondContact O-N 3.33Å; S238-W517 WeakPolarHBondContact OG-CB 3.3Å
239G96.2Very high94.4Very high12 Ų1260.5 Ų60.512%0.12429%0.293CS..Hα-helixtrans-61.4-38.7173.900000113.1W235 Y236 E237 L241 I242 I243W235-G239 PolarHBondContact O-N 3.22Å; Y236-G239 CarbonylContact O-C 3.56Å; Y236-G239 WeakPolarHBondContact O-CA 3.4Å; Y236-G239 PolarHBondContact O-N 3.42Å; E237-G239 VanDerWaalsContact C-N 3.27Å; E237-G239 PolarHBondContact O-N 2.85Å; G239-L241 VanDerWaalsContact C-N 3.35Å; G239-L241 PolarHBondContact O-N 3.48Å; G239-I242 PolarHBondContact O-N 3.41Å; G239-I243 VanDerWaalsContact O-CG1 3.27Å; G239-I243 WeakPolarHBondContact O-CG1 3.42Å; G239-I243 PolarHBondContact O-N 3.3Å
240I97.5Very high94.9Very high79 Ų7955.9 Ų55.941%0.40528%0.28SS..Hα-helixtrans-61.4-42.8175.2-70.4163.4000110.7Y236 E237 S238 I242 I243 V244Y236-I240 WeakPolarHBondContact O-CG1 3.31Å; Y236-I240 PolarHBondContact O-N 3.45Å; E237-I240 WeakPolarHBondContact O-CB 3.4Å; E237-I240 PolarHBondContact O-N 2.82Å; E237-I240 VanDerWaalsContact O-N 3.15Å; S238-I240 VanDerWaalsContact C-N 3.34Å; S238-I240 PolarHBondContact O-N 3.32Å; I240-I242 VanDerWaalsContact C-N 3.34Å; I240-I242 PolarHBondContact O-N 2.83Å; I240-I243 PolarHBondContact O-N 3.45Å; I240-V244 HydrophobicContact CG2-CG2 4.23Å; I240-V244 VanDerWaalsContact O-CG2 3.3Å; I240-V244 WeakPolarHBondContact O-CG2 3.43Å; I240-V244 PolarHBondContact O-N 2.98Å
241L96.5Very high95.2Very high0 Ų055.5 Ų55.50%028%0.278CS..Hα-helixtrans-57.3-46.7177-61.2179.1000111.6L223 E237 S238 G239 I243 V244 Y245 L510 W517L223-L241 HydrophobicContact CB-CD2 4.01Å; E237-L241 PolarHBondContact O-N 2.97Å; S238-L241 WeakPolarHBondContact O-CB 3.34Å; S238-L241 PolarHBondContact O-N 3.19Å; G239-L241 VanDerWaalsContact C-N 3.35Å; G239-L241 PolarHBondContact O-N 3.48Å; L241-I243 PolarHBondContact O-N 3.41Å; L241-V244 PolarHBondContact O-N 3.35Å; L241-Y245 PolarHBondContact O-N 2.97Å; L241-Y245 VanDerWaalsContact O-N 3.11Å; L241-L510 HydrophobicContact CB-CD2 4.23Å; L241-L510 HydrophobicContact CD2-CD2 3.93Å; L241-W517 HydrophobicContact CD1-CE3 4.1Å; L241-W517 HydrophobicContact CD1-CZ3 3.99Å
242I97.3Very high95.7Very high49 Ų4951.6 Ų51.625%0.25126%0.26SS..Hα-helixtrans-63.4-42.3176.9-57.8-61.3000111.8S238 G239 I240 V244 Y245 G246 L510 I511 L515 L518S238-I242 PolarHBondContact O-N 3.33Å; G239-I242 PolarHBondContact O-N 3.41Å; I240-I242 VanDerWaalsContact C-N 3.34Å; I240-I242 PolarHBondContact O-N 2.83Å; I242-V244 VanDerWaalsContact C-N 3.35Å; I242-V244 PolarHBondContact O-N 3.47Å; I242-Y245 PolarHBondContact O-N 3.49Å; I242-G246 PolarHBondContact O-N 3.21Å; I242-L510 WeakPolarHBondContact CD1-O 3.39Å; I242-I511 HydrophobicContact CD1-CD1 3.57Å; I242-L515 HydrophobicContact CD1-CB 3.94Å; I242-L518 HydrophobicContact CG1-CD2 4.23Å
243I98Very high95.9Very high110 Ų11056.9 Ų56.956%0.56428%0.277SS*.Hα-helixtrans-62.7-43.2178.2-70.5165.3000110.7G239 I240 L241 Y245 G246 L247G239-I243 VanDerWaalsContact O-CG1 3.27Å; G239-I243 WeakPolarHBondContact O-CG1 3.42Å; G239-I243 PolarHBondContact O-N 3.3Å; I240-I243 PolarHBondContact O-N 3.45Å; L241-I243 PolarHBondContact O-N 3.41Å; I243-Y245 VanDerWaalsContact C-N 3.29Å; I243-Y245 PolarHBondContact O-N 3.15Å; I243-G246 CarbonylContact O-C 3.59Å; I243-G246 WeakPolarHBondContact O-CA 3.38Å; I243-G246 PolarHBondContact O-N 3.02Å; I243-L247 HydrophobicContact CG2-CD1 4.45Å; I243-L247 WeakPolarHBondContact O-CG 3.33Å; I243-L247 PolarHBondContact O-N 2.96Å
244V98.1Very high96.1Very high23 Ų2361.8 Ų61.814%0.13930%0.296CS..Hα-helixtrans-63.2-37.3178.3172.10000111L219 L223 I240 L241 I242 L247 Y248 L510L219-V244 HydrophobicContact CD2-CG1 4.31Å; L223-V244 HydrophobicContact CD1-CB 4.2Å; L223-V244 HydrophobicContact CD1-CG1 3.92Å; L223-V244 HydrophobicContact CD1-CG2 3.75Å; I240-V244 HydrophobicContact CG2-CG2 4.23Å; I240-V244 VanDerWaalsContact O-CG2 3.3Å; I240-V244 WeakPolarHBondContact O-CG2 3.43Å; I240-V244 PolarHBondContact O-N 2.98Å; L241-V244 PolarHBondContact O-N 3.35Å; I242-V244 VanDerWaalsContact C-N 3.35Å; I242-V244 PolarHBondContact O-N 3.47Å; V244-L247 WeakPolarHBondContact O-CB 3.38Å; V244-L247 PolarHBondContact O-N 3.35Å; V244-Y248 PolarHBondContact O-N 3.25Å; V244-L510 HydrophobicContact CB-CD1 4.39Å; V244-L510 HydrophobicContact CB-CD2 4.44Å; V244-L510 HydrophobicContact CG1-CD1 3.9Å; V244-L510 HydrophobicContact CG1-CD2 4.29Å
245Y98Very high96.1Very high32 Ų3258 Ų5813%0.12528%0.281CS..Hα-helixtrans-64.9-39.7171.7-174.7-98.5000112.1L241 I242 I243 L247 Y248 V249 F507 L510 I511L241-Y245 PolarHBondContact O-N 2.97Å; L241-Y245 VanDerWaalsContact O-N 3.11Å; I242-Y245 PolarHBondContact O-N 3.49Å; I243-Y245 VanDerWaalsContact C-N 3.29Å; I243-Y245 PolarHBondContact O-N 3.15Å; Y245-L247 VanDerWaalsContact C-N 3.32Å; Y245-L247 PolarHBondContact O-N 3.43Å; Y245-Y248 HydrophobicContact CD2-CD1 4.07Å; Y245-Y248 AromaticContact CE2-CD1 3.98Å; Y245-Y248 HydrophobicContact CE2-CD1 3.98Å; Y245-Y248 HydrophobicContact CE2-CE1 4.41Å; Y245-Y248 WeakPolarHBondContact O-CB 3.48Å; Y245-Y248 PolarHBondContact O-N 3.08Å; Y245-Y248 VanDerWaalsContact O-N 3.16Å; Y245-V249 HydrophobicContact CD1-CG2 4.07Å; Y245-V249 HydrophobicContact CE1-CG2 3.6Å; Y245-V249 WeakPolarHBondContact O-CG2 3.4Å; Y245-V249 PolarHBondContact O-N 3.18Å; Y245-F507 HydrophobicContact CE1-CD2 4.4Å; Y245-F507 HydrophobicContact CE1-CE2 4.49Å; Y245-F507 HydrophobicContact CE2-CB 4.36Å; Y245-F507 AromaticContact CE2-CD2 3.73Å; Y245-F507 HydrophobicContact CE2-CD2 3.73Å; Y245-F507 AromaticContact CZ-CD2 3.58Å; Y245-F507 WeakPolarHBondContact OH-CD2 3.43Å; Y245-L510 HydrophobicContact CD2-CB 4.35Å; Y245-L510 HydrophobicContact CD2-CD1 4.27Å; Y245-L510 HydrophobicContact CG-CB 4.49Å; Y245-I511 HydrophobicContact CD1-CD1 3.49Å; Y245-I511 VanDerWaalsContact CD1-CD1 3.49Å; Y245-I511 HydrophobicContact CD1-CG1 3.63Å; Y245-I511 HydrophobicContact CD2-CD1 4.39Å; Y245-I511 HydrophobicContact CD2-CG1 3.89Å; Y245-I511 HydrophobicContact CE1-CD1 4.2Å; Y245-I511 HydrophobicContact CE1-CG1 3.96Å; Y245-I511 HydrophobicContact CE2-CG1 4.23Å; Y245-I511 HydrophobicContact CG-CD1 3.59Å; Y245-I511 HydrophobicContact CG-CG1 3.59Å
246G97.7Very high95.8Very high40 Ų4053 Ų5341%0.41227%0.269SS..Hα-helixtrans-58.6-41.717200000112.9I242 I243 Y248 V249 L250I242-G246 PolarHBondContact O-N 3.21Å; I243-G246 CarbonylContact O-C 3.59Å; I243-G246 WeakPolarHBondContact O-CA 3.38Å; I243-G246 PolarHBondContact O-N 3.02Å; G246-Y248 VanDerWaalsContact C-N 3.35Å; G246-V249 PolarHBondContact O-N 3.09Å; G246-L250 WeakPolarHBondContact O-CB 3.38Å; G246-L250 PolarHBondContact O-N 3.5Å
247L97.8Very high95.6Very high101 Ų10156.5 Ų56.553%0.52928%0.281SS..Hα-helixtrans-66.1-36.5174.1-67.4176000112.2I243 V244 Y245 L250 L251I243-L247 HydrophobicContact CG2-CD1 4.45Å; I243-L247 WeakPolarHBondContact O-CG 3.33Å; I243-L247 PolarHBondContact O-N 2.96Å; V244-L247 WeakPolarHBondContact O-CB 3.38Å; V244-L247 PolarHBondContact O-N 3.35Å; Y245-L247 VanDerWaalsContact C-N 3.32Å; Y245-L247 PolarHBondContact O-N 3.43Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 PolarHBondContact O-N 3.49Å
248Y97.8Very high95.4Very high4 Ų457.6 Ų57.62%0.01629%0.287CS..Hα-helixtrans-63.2-46.6173.8174.6-122.4000111.9A149 D213 V216 V244 Y245 G246 L250 L251 M252 V506A149-Y248 WeakPolarHBondContact CB-OH 3.42Å; D213-Y248 PolarHBondContact OD1-OH 2.78Å; V216-Y248 HydrophobicContact CB-CD2 3.92Å; V216-Y248 HydrophobicContact CB-CE2 4Å; V216-Y248 HydrophobicContact CG1-CD2 3.58Å; V216-Y248 HydrophobicContact CG1-CE2 4.03Å; V216-Y248 HydrophobicContact CG1-CG 3.94Å; V216-Y248 HydrophobicContact CG2-CD2 3.75Å; V216-Y248 HydrophobicContact CG2-CE2 4.04Å; V244-Y248 PolarHBondContact O-N 3.25Å; Y245-Y248 HydrophobicContact CD2-CD1 4.07Å; Y245-Y248 AromaticContact CE2-CD1 3.98Å; Y245-Y248 HydrophobicContact CE2-CD1 3.98Å; Y245-Y248 HydrophobicContact CE2-CE1 4.41Å; Y245-Y248 WeakPolarHBondContact O-CB 3.48Å; Y245-Y248 PolarHBondContact O-N 3.08Å; Y245-Y248 VanDerWaalsContact O-N 3.16Å; G246-Y248 VanDerWaalsContact C-N 3.35Å; Y248-L250 VanDerWaalsContact C-N 3.31Å; Y248-L250 PolarHBondContact O-N 2.87Å; Y248-L251 WeakPolarHBondContact O-CB 3.42Å; Y248-L251 PolarHBondContact O-N 2.8Å; Y248-M252 HydrophobicContact CD2-CE 3.83Å; Y248-M252 HydrophobicContact CE1-CE 4.28Å; Y248-M252 HydrophobicContact CE2-CE 3.07Å; Y248-M252 WeakPolarHBondContact O-CG 3.23Å; Y248-M252 PolarHBondContact O-N 2.84Å; Y248-M252 WeakPolarHBondContact OH-CE 3.42Å; Y248-V506 HydrophobicContact CD1-CG1 3.99Å; Y248-V506 HydrophobicContact CE1-CB 4.46Å; Y248-V506 HydrophobicContact CE1-CG1 3.98Å; Y248-V506 HydrophobicContact CG-CG1 4.45Å
249V97Very high95.1Very high63 Ų6358.4 Ų58.438%0.38229%0.291SS..Hα-helixtrans-63-37.3173.9174.50000111.5Y245 G246 M252 Y253Y245-V249 HydrophobicContact CD1-CG2 4.07Å; Y245-V249 HydrophobicContact CE1-CG2 3.6Å; Y245-V249 WeakPolarHBondContact O-CG2 3.4Å; Y245-V249 PolarHBondContact O-N 3.18Å; G246-V249 PolarHBondContact O-N 3.09Å; V249-M252 WeakPolarHBondContact O-CB 3.28Å; V249-M252 PolarHBondContact O-N 2.95Å; V249-Y253 PolarHBondContact O-N 2.93Å
250L96.6Very high94.6Very high89 Ų8959.5 Ų59.547%0.46630%0.299SS..Hα-helixtrans-64.8-39.2174.1-177.464.6000112.1G246 L247 Y248 M252 Y253 Y254G246-L250 WeakPolarHBondContact O-CB 3.38Å; G246-L250 PolarHBondContact O-N 3.5Å; L247-L250 PolarHBondContact O-N 3.42Å; Y248-L250 VanDerWaalsContact C-N 3.31Å; Y248-L250 PolarHBondContact O-N 2.87Å; L250-M252 VanDerWaalsContact C-N 3.27Å; L250-M252 PolarHBondContact O-N 3.3Å; L250-Y253 WeakPolarHBondContact O-CB 3.48Å; L250-Y253 PolarHBondContact O-N 3.46Å; L250-Y254 HydrophobicContact CD1-CD2 4.45Å; L250-Y254 HydrophobicContact CD1-CE2 3.87Å; L250-Y254 HydrophobicContact CG-CE2 4.24Å; L250-Y254 WeakPolarHBondContact O-CD2 3.09Å; L250-Y254 PolarHBondContact O-N 2.93Å
251L96.3Very high94.2Very high57 Ų5761.5 Ų61.530%0.29831%0.305SS..Hα-helixtrans-60-41172.2-177155.2000110.5R212 L247 Y248 Y253 Y254 N255R212-L251 HydrophobicContact CG-CD2 3.71Å; L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 PolarHBondContact O-N 3.49Å; Y248-L251 WeakPolarHBondContact O-CB 3.42Å; Y248-L251 PolarHBondContact O-N 2.8Å; L251-Y253 VanDerWaalsContact C-N 3.32Å; L251-Y253 PolarHBondContact O-N 3.31Å; L251-Y254 CarbonylContact O-C 3.55Å; L251-Y254 PolarHBondContact O-N 2.88Å; L251-Y254 VanDerWaalsContact O-N 3.17Å; L251-N255 PolarHBondContact O-N 3.29Å; L251-N255 VanDerWaalsContact O-N 3.1Å
252M94.9Very high93.6Very high6 Ų664.8 Ų64.83%0.0332%0.318CS..Hα-helixtrans-63.6-34.6176.4-69-57.1162.900113.7V146 A149 T150 R212 D213 Y248 V249 L250 Y254 N255V146-M252 HydrophobicContact CB-SD 4.4Å; V146-M252 HydrophobicContact CG1-CB 3.77Å; V146-M252 HydrophobicContact CG1-CG 4.15Å; V146-M252 HydrophobicContact CG1-SD 4.11Å; V146-M252 HydrophobicContact CG2-SD 3.95Å; A149-M252 HydrophobicContact CB-CE 4.41Å; T150-M252 HydrophobicContact CG2-CB 4.48Å; T150-M252 HydrophobicContact CG2-CG 3.94Å; R212-M252 HydrophobicContact CG-CE 4.4Å; R212-M252 VanDerWaalsContact CZ-CE 3.49Å; R212-M252 VanDerWaalsContact CZ-SD 3.51Å; D213-M252 WeakPolarHBondContact OD1-CE 3.27Å; Y248-M252 HydrophobicContact CD2-CE 3.83Å; Y248-M252 HydrophobicContact CE1-CE 4.28Å; Y248-M252 HydrophobicContact CE2-CE 3.07Å; Y248-M252 WeakPolarHBondContact O-CG 3.23Å; Y248-M252 PolarHBondContact O-N 2.84Å; Y248-M252 WeakPolarHBondContact OH-CE 3.42Å; V249-M252 WeakPolarHBondContact O-CB 3.28Å; V249-M252 PolarHBondContact O-N 2.95Å; L250-M252 VanDerWaalsContact C-N 3.27Å; L250-M252 PolarHBondContact O-N 3.3Å; M252-Y254 VanDerWaalsContact C-N 3.27Å; M252-Y254 PolarHBondContact O-N 3.32Å; M252-N255 WeakPolarHBondContact O-CB 3.27Å; M252-N255 PolarHBondContact O-N 2.95Å; M252-N255 VanDerWaalsContact O-N 3.13Å
253Y93.6Very high92.9Very high166 Ų16668.5 Ų68.565%0.65133%0.328SS*.Hα-helixtrans-60.3-37.9173.9178.7-98.6000112.3V249 L250 L251V249-Y253 PolarHBondContact O-N 2.93Å; L250-Y253 WeakPolarHBondContact O-CB 3.48Å; L250-Y253 PolarHBondContact O-N 3.46Å; L251-Y253 VanDerWaalsContact C-N 3.32Å; L251-Y253 PolarHBondContact O-N 3.31Å
254Y94.3Very high92.2Very high103 Ų10367.3 Ų67.340%0.40433%0.326SS..THydrogen-bonded Turntrans-88.5-0.1176.9-66.3-67.5000114.1L250 L251 M252 P256 R257 I258L250-Y254 HydrophobicContact CD1-CD2 4.45Å; L250-Y254 HydrophobicContact CD1-CE2 3.87Å; L250-Y254 HydrophobicContact CG-CE2 4.24Å; L250-Y254 WeakPolarHBondContact O-CD2 3.09Å; L250-Y254 PolarHBondContact O-N 2.93Å; L251-Y254 CarbonylContact O-C 3.55Å; L251-Y254 PolarHBondContact O-N 2.88Å; L251-Y254 VanDerWaalsContact O-N 3.17Å; M252-Y254 VanDerWaalsContact C-N 3.27Å; M252-Y254 PolarHBondContact O-N 3.32Å; Y254-P256 VanDerWaalsContact C-CD 3.5Å; Y254-R257 PolarHBondContact O-N 3.16Å; Y254-R257 VanDerWaalsContact O-N 3.08Å; Y254-I258 WeakPolarHBondContact O-CG1 3.48Å; Y254-I258 PolarHBondContact O-N 3.03Å; Y254-I258 VanDerWaalsContact O-N 3.16Å
255N92.5Very high91.5Very high0 Ų069.3 Ų69.30%033%0.331CS..Hα-helixtrans-54.1-44.1-173.8-175.164.5000114.2Q143 V146 W208 R212 L251 M252 R257 I258 D259Q143-N255 PolarHBondContact OE1-ND2 3.26Å; V146-N255 HydrophobicContact CG2-CB 3.96Å; V146-N255 VanDerWaalsContact CG2-ND2 3.3Å; V146-N255 WeakPolarHBondContact CG2-ND2 3.06Å; W208-N255 PolarHBondContact NE1-OD1 3.47Å; R212-N255 PolarHBondContact NH1-ND2 2.95Å; R212-N255 PolarHBondContact NH1-OD1 2.76Å; L251-N255 PolarHBondContact O-N 3.29Å; L251-N255 VanDerWaalsContact O-N 3.1Å; M252-N255 WeakPolarHBondContact O-CB 3.27Å; M252-N255 PolarHBondContact O-N 2.95Å; M252-N255 VanDerWaalsContact O-N 3.13Å; N255-R257 PolarHBondContact O-N 3.43Å; N255-I258 PolarHBondContact O-N 3.47Å; N255-I258 VanDerWaalsContact O-N 3.11Å; N255-D259 WeakPolarHBondContact O-CB 3.48Å; N255-D259 PolarHBondContact O-N 3.37Å
256P88.4Confident90.6Very high46 Ų4668.4 Ų68.430%0.29933%0.33SS..Hα-helixtrans-58.7-34179.9-25.735.3000113.7Y254 A260Y254-P256 VanDerWaalsContact C-CD 3.5Å; P256-A260 WeakPolarHBondContact O-CB 3.48Å; P256-A260 PolarHBondContact O-N 2.87Å; P256-A260 VanDerWaalsContact O-N 3.12Å
257R90.8Very high89.7Confident181 Ų18176.4 Ų76.468%0.68335%0.347SS*.Hα-helixtrans-74.5-42.1177.3-63.6-177.2-177.3168.61111.5Y254 N255 A260 F261Y254-R257 PolarHBondContact O-N 3.16Å; Y254-R257 VanDerWaalsContact O-N 3.08Å; N255-R257 PolarHBondContact O-N 3.43Å; R257-A260 PolarHBondContact O-N 2.88Å; R257-F261 PolarHBondContact O-N 2.84Å
258I90.4Very high88.9Confident49 Ų4977.9 Ų77.925%0.25135%0.351SS..Hα-helixtrans-66.7-45.4179.9-61.2167.8000109.9W208 Y254 N255 A260 F261 W262W208-I258 HydrophobicContact CH2-CG2 3.82Å; W208-I258 HydrophobicContact CZ2-CB 4.34Å; W208-I258 HydrophobicContact CZ2-CG2 3.23Å; Y254-I258 WeakPolarHBondContact O-CG1 3.48Å; Y254-I258 PolarHBondContact O-N 3.03Å; Y254-I258 VanDerWaalsContact O-N 3.16Å; N255-I258 PolarHBondContact O-N 3.47Å; N255-I258 VanDerWaalsContact O-N 3.11Å; I258-A260 PolarHBondContact O-N 3.13Å; I258-F261 WeakPolarHBondContact O-CB 3.41Å; I258-F261 PolarHBondContact O-N 3.23Å; I258-F261 VanDerWaalsContact O-N 3.16Å; I258-W262 VanDerWaalsContact CG2-CD1 3.44Å; I258-W262 PolarHBondContact O-N 3.19Å
259D86.9Confident88.1Confident16 Ų1681.5 Ų81.59%0.08637%0.368CS..Hα-helixtrans-58.1-45.1174.4175.145.8000111.7Q143 N255 F261 W262 R263Q143-D259 PolarHBondContact NE2-OD2 3.26Å; N255-D259 WeakPolarHBondContact O-CB 3.48Å; N255-D259 PolarHBondContact O-N 3.37Å; D259-F261 PolarHBondContact O-N 2.8Å; D259-W262 PolarHBondContact O-N 2.81Å; D259-R263 VanDerWaalsContact CG-NH1 3.31Å; D259-R263 WeakPolarHBondContact O-CG 3.29Å; D259-R263 PolarHBondContact O-N 3.3Å; D259-R263 IonicContact OD1-CZ 2.81Å; D259-R263 IonicContact OD1-NH1 2.66Å; D259-R263 PolarHBondContact OD1-NH1 2.68Å; D259-R263 IonicContact OD2-CZ 3.11Å; D259-R263 IonicContact OD2-NH1 3.97Å; D259-R263 PolarHBondContact OD2-NH1 2.84Å; D259-R263 IonicContact OD2-NH2 3.31Å; D259-R263 PolarHBondContact OD2-NH2 3.01Å
260A85.4Confident86.8Confident35 Ų3581.8 Ų81.829%0.28937%0.372SS..Hα-helixtrans-60.4-42.6173.600000112.8P256 R257 I258 R263 V264P256-A260 WeakPolarHBondContact O-CB 3.48Å; P256-A260 PolarHBondContact O-N 2.87Å; P256-A260 VanDerWaalsContact O-N 3.12Å; R257-A260 PolarHBondContact O-N 2.88Å; I258-A260 PolarHBondContact O-N 3.13Å; A260-R263 PolarHBondContact O-N 3.31Å; A260-V264 WeakPolarHBondContact O-CG2 3.49Å; A260-V264 PolarHBondContact O-N 3.05Å
261F89Confident85.8Confident122 Ų12284.4 Ų84.454%0.53539%0.391SS..Hα-helixtrans-60.8-48.7175.7171.3-94.5000111.8R257 I258 D259 R263 V264 W265R257-F261 PolarHBondContact O-N 2.84Å; I258-F261 WeakPolarHBondContact O-CB 3.41Å; I258-F261 PolarHBondContact O-N 3.23Å; I258-F261 VanDerWaalsContact O-N 3.16Å; D259-F261 PolarHBondContact O-N 2.8Å; F261-R263 VanDerWaalsContact C-N 3.32Å; F261-R263 PolarHBondContact O-N 3.45Å; F261-V264 PolarHBondContact O-N 3.07Å; F261-W265 WeakPolarHBondContact O-CB 3.34Å; F261-W265 PolarHBondContact O-N 3.5Å
262W85.6Confident84.5Confident68 Ų6889.1 Ų89.126%0.25841%0.41SS..Hα-helixtrans-64.2-36179.2-70.7117.5000112.7W207 W208 I258 D259 V264 W265 C266W207-W262 HydrophobicContact CH2-CD2 4.31Å; W207-W262 HydrophobicContact CH2-CE3 4.22Å; W207-W262 HydrophobicContact CH2-CG 4.5Å; W207-W262 HydrophobicContact CZ2-CB 4.22Å; W208-W262 AromaticContact CD2-CD1 3.43Å; W208-W262 VanDerWaalsContact CD2-CD1 3.43Å; W208-W262 HydrophobicContact CD2-CG 4.18Å; W208-W262 AromaticContact CD2-NE1 3.8Å; W208-W262 AromaticContact CE2-CD1 3.6Å; W208-W262 AromaticContact CE2-NE1 3.8Å; W208-W262 AromaticContact CE3-CD1 3.4Å; W208-W262 VanDerWaalsContact CE3-CD1 3.4Å; W208-W262 HydrophobicContact CE3-CD2 4.24Å; W208-W262 AromaticContact CE3-CE2 3.92Å; W208-W262 AromaticContact CE3-CG 3.96Å; W208-W262 HydrophobicContact CE3-CG 3.96Å; W208-W262 AromaticContact CE3-NE1 3.4Å; W208-W262 AromaticContact CH2-CD1 3.77Å; W208-W262 AromaticContact CH2-CE2 3.87Å; W208-W262 HydrophobicContact CH2-CZ2 4.3Å; W208-W262 AromaticContact CH2-NE1 3.08Å; W208-W262 AromaticContact CZ2-CD1 3.79Å; W208-W262 AromaticContact CZ2-NE1 3.5Å; W208-W262 AromaticContact CZ3-CD1 3.58Å; W208-W262 HydrophobicContact CZ3-CD2 4.23Å; W208-W262 AromaticContact CZ3-CE2 3.47Å; W208-W262 VanDerWaalsContact CZ3-CE2 3.47Å; W208-W262 HydrophobicContact CZ3-CG 4.3Å; W208-W262 AromaticContact CZ3-CZ2 3.9Å; W208-W262 HydrophobicContact CZ3-CZ2 3.9Å; W208-W262 AromaticContact CZ3-NE1 3.02Å; I258-W262 VanDerWaalsContact CG2-CD1 3.44Å; I258-W262 PolarHBondContact O-N 3.19Å; D259-W262 PolarHBondContact O-N 2.81Å; W262-V264 VanDerWaalsContact C-N 3.34Å; W262-V264 PolarHBondContact O-N 3.12Å; W262-W265 HydrophobicContact CE3-CD2 4.37Å; W262-W265 AromaticContact CE3-CE3 3.97Å; W262-W265 HydrophobicContact CE3-CE3 3.97Å; W262-W265 HydrophobicContact CZ3-CD2 4.27Å; W262-W265 AromaticContact CZ3-CE3 4Å; W262-W265 HydrophobicContact CZ3-CE3 4Å; W262-W265 HydrophobicContact CZ3-CZ3 4.35Å; W262-W265 PolarHBondContact O-N 3.47Å; W262-C266 WeakPolarHBondContact O-CB 3.2Å; W262-C266 PolarHBondContact O-N 2.9Å; W262-C266 PolarHBondContact O-SG 3.44Å
263R80.9Confident83.2Confident127 Ų12789.3 Ų89.348%0.47941%0.411SS..Hα-helixtrans-59.3-44173.7-80-166-74.1-101.1-10.1112.4D259 A260 F261 R267D259-R263 VanDerWaalsContact CG-NH1 3.31Å; D259-R263 WeakPolarHBondContact O-CG 3.29Å; D259-R263 PolarHBondContact O-N 3.3Å; D259-R263 IonicContact OD1-CZ 2.81Å; D259-R263 IonicContact OD1-NH1 2.66Å; D259-R263 PolarHBondContact OD1-NH1 2.68Å; D259-R263 IonicContact OD2-CZ 3.11Å; D259-R263 IonicContact OD2-NH1 3.97Å; D259-R263 PolarHBondContact OD2-NH1 2.84Å; D259-R263 IonicContact OD2-NH2 3.31Å; D259-R263 PolarHBondContact OD2-NH2 3.01Å; A260-R263 PolarHBondContact O-N 3.31Å; F261-R263 VanDerWaalsContact C-N 3.32Å; F261-R263 PolarHBondContact O-N 3.45Å; R263-R267 PolarHBondContact O-N 3.33Å
264V83.4Confident81.8Confident85 Ų8583 Ų8352%0.51539%0.391SS..Hα-helixtrans-65.4-49.7176.7175.30000110.2A260 F261 W262 C266 R267 E268A260-V264 WeakPolarHBondContact O-CG2 3.49Å; A260-V264 PolarHBondContact O-N 3.05Å; F261-V264 PolarHBondContact O-N 3.07Å; W262-V264 VanDerWaalsContact C-N 3.34Å; W262-V264 PolarHBondContact O-N 3.12Å; V264-C266 VanDerWaalsContact C-N 3.35Å; V264-C266 PolarHBondContact O-N 3.03Å; V264-R267 VanDerWaalsContact O-CB 3.28Å; V264-R267 WeakPolarHBondContact O-CB 3.47Å; V264-R267 PolarHBondContact O-N 2.95Å; V264-E268 PolarHBondContact O-N 2.65Å
265W84.4Confident79.9Confident65 Ų6584.7 Ų84.725%0.24640%0.397CS..Hα-helixtrans-61.6-40.7-179-171.683.2000112.8F261 W262 R267 E268 H269 F272F261-W265 WeakPolarHBondContact O-CB 3.34Å; F261-W265 PolarHBondContact O-N 3.5Å; W262-W265 HydrophobicContact CE3-CD2 4.37Å; W262-W265 AromaticContact CE3-CE3 3.97Å; W262-W265 HydrophobicContact CE3-CE3 3.97Å; W262-W265 HydrophobicContact CZ3-CD2 4.27Å; W262-W265 AromaticContact CZ3-CE3 4Å; W262-W265 HydrophobicContact CZ3-CE3 4Å; W262-W265 HydrophobicContact CZ3-CZ3 4.35Å; W262-W265 PolarHBondContact O-N 3.47Å; W265-R267 VanDerWaalsContact C-N 3.25Å; W265-R267 PolarHBondContact O-N 3.35Å; W265-E268 PolarHBondContact O-N 3.15Å; W265-E268 VanDerWaalsContact O-N 3.14Å; W265-H269 AromaticContact CD1-CD2 3.73Å; W265-H269 AromaticContact CD2-CD2 3.88Å; W265-H269 AromaticContact CE2-CD2 3.36Å; W265-H269 HydrophobicContact CH2-CB 4.24Å; W265-H269 HydrophobicContact CZ2-CB 4.26Å; W265-H269 AromaticContact CZ2-CD2 3.75Å; W265-H269 HydrophobicContact CZ3-CB 4.38Å; W265-H269 AromaticContact NE1-CD2 3.26Å; W265-H269 PolarHBondContact NE1-CD2 2.84Å; W265-H269 VanDerWaalsContact NE1-CD2 3.26Å; W265-H269 AromaticContact NE1-NE2 3.63Å; W265-H269 PolarHBondContact O-N 3.22Å; W265-F272 HydrophobicContact CH2-CB 3.72Å; W265-F272 AromaticContact CH2-CD1 3.37Å; W265-F272 HydrophobicContact CH2-CD1 3.37Å; W265-F272 HydrophobicContact CH2-CD2 4.32Å; W265-F272 AromaticContact CH2-CE1 3.98Å; W265-F272 HydrophobicContact CH2-CE1 3.98Å; W265-F272 AromaticContact CH2-CG 3.54Å; W265-F272 HydrophobicContact CH2-CG 3.54Å; W265-F272 HydrophobicContact CZ3-CB 3.94Å; W265-F272 AromaticContact CZ3-CD1 3.54Å; W265-F272 HydrophobicContact CZ3-CD1 3.54Å; W265-F272 HydrophobicContact CZ3-CE1 4.33Å; W265-F272 AromaticContact CZ3-CG 3.99Å; W265-F272 HydrophobicContact CZ3-CG 3.99Å
266C79.7Confident77.9Confident14 Ų1485.3 Ų85.310%0.09540%0.401CS..Hα-helixtrans-66.2-25.8174.7-740000114W207 W262 V264 C273W207-C266 WeakPolarHBondContact CZ2-SG 3.35Å; W262-C266 WeakPolarHBondContact O-CB 3.2Å; W262-C266 PolarHBondContact O-N 2.9Å; W262-C266 PolarHBondContact O-SG 3.44Å; V264-C266 VanDerWaalsContact C-N 3.35Å; V264-C266 PolarHBondContact O-N 3.03Å; C266-C273 WeakPolarHBondContact CA-SG 3.27Å; C266-C273 HydrophobicContact CB-CB 3.58Å; C266-C273 WeakPolarHBondContact CB-SG 3.34Å; C266-C273 WeakPolarHBondContact SG-CB 3.28Å; C266-C273 CovalentContact SG-SG 2.01Å; C266-C273 PolarHBondContact SG-SG 3.49Å
267R77.2Confident75.4Confident208 Ų20886.3 Ų86.379%0.78540%0.404SS*.Hα-helixtrans-71-37.1173.4-171.2179.3178-179.9-0.5110.7R263 V264 W265R263-R267 PolarHBondContact O-N 3.33Å; V264-R267 VanDerWaalsContact O-CB 3.28Å; V264-R267 WeakPolarHBondContact O-CB 3.47Å; V264-R267 PolarHBondContact O-N 2.95Å; W265-R267 VanDerWaalsContact C-N 3.25Å; W265-R267 PolarHBondContact O-N 3.35Å
268E81.1Confident73.1Confident131 Ų13182.7 Ų82.761%0.61239%0.394SS*.Hα-helixtrans-77.3-31.9178.2-65.7177.8175.700112.7V264 W265 P270V264-E268 PolarHBondContact O-N 2.65Å; W265-E268 PolarHBondContact O-N 3.15Å; W265-E268 VanDerWaalsContact O-N 3.14Å; E268-P270 VanDerWaalsContact O-CD 3.29Å; E268-P270 WeakPolarHBondContact O-CD 3.43Å
269H81.9Confident70.3Confident80 Ų8084 Ų8437%0.3741%0.412SS..  trans-120.375.6-177.7-62.2-69.5000112.9W265 T271 F272W265-H269 AromaticContact CD1-CD2 3.73Å; W265-H269 AromaticContact CD2-CD2 3.88Å; W265-H269 AromaticContact CE2-CD2 3.36Å; W265-H269 HydrophobicContact CH2-CB 4.24Å; W265-H269 HydrophobicContact CZ2-CB 4.26Å; W265-H269 AromaticContact CZ2-CD2 3.75Å; W265-H269 HydrophobicContact CZ3-CB 4.38Å; W265-H269 AromaticContact NE1-CD2 3.26Å; W265-H269 PolarHBondContact NE1-CD2 2.84Å; W265-H269 VanDerWaalsContact NE1-CD2 3.26Å; W265-H269 AromaticContact NE1-NE2 3.63Å; W265-H269 PolarHBondContact O-N 3.22Å; H269-T271 PolarHBondContact O-N 3.06Å; H269-T271 VanDerWaalsContact O-N 3.17Å; H269-F272 HydrophobicContact CB-CB 4.49Å; H269-F272 PolarHBondContact O-N 3.21Å
270P69.8Low67.9Low70 Ų7087.9 Ų87.946%0.45543%0.433SS..THydrogen-bonded Turntrans-67.7-17.3-173.827.4-36000114.7E268E268-P270 VanDerWaalsContact O-CD 3.29Å; E268-P270 WeakPolarHBondContact O-CD 3.43Å
271T74.6Confident65.3Low143 Ų14394.6 Ų94.688%0.87746%0.458SS*.THydrogen-bonded Turntrans-81.3-21.6179.351.30000113.4H269H269-T271 PolarHBondContact O-N 3.06Å; H269-T271 VanDerWaalsContact O-N 3.17Å
272F69.4Low62.6Low157 Ų15792.6 Ų92.669%0.68947%0.473SS*.THydrogen-bonded Turntrans-96.7-34.6-171.9-158-87000112.5W265 H269W265-F272 HydrophobicContact CH2-CB 3.72Å; W265-F272 AromaticContact CH2-CD1 3.37Å; W265-F272 HydrophobicContact CH2-CD1 3.37Å; W265-F272 HydrophobicContact CH2-CD2 4.32Å; W265-F272 AromaticContact CH2-CE1 3.98Å; W265-F272 HydrophobicContact CH2-CE1 3.98Å; W265-F272 AromaticContact CH2-CG 3.54Å; W265-F272 HydrophobicContact CH2-CG 3.54Å; W265-F272 HydrophobicContact CZ3-CB 3.94Å; W265-F272 AromaticContact CZ3-CD1 3.54Å; W265-F272 HydrophobicContact CZ3-CD1 3.54Å; W265-F272 HydrophobicContact CZ3-CE1 4.33Å; W265-F272 AromaticContact CZ3-CG 3.99Å; W265-F272 HydrophobicContact CZ3-CG 3.99Å; H269-F272 HydrophobicContact CB-CB 4.49Å; H269-F272 PolarHBondContact O-N 3.21Å
273C67.8Low59.9Low9 Ų994.5 Ų94.56%0.06149%0.486CS..SBendtrans-84.7129178.7-620000110.6C266 R275C266-C273 WeakPolarHBondContact CA-SG 3.27Å; C266-C273 HydrophobicContact CB-CB 3.58Å; C266-C273 WeakPolarHBondContact CB-SG 3.34Å; C266-C273 WeakPolarHBondContact SG-CB 3.28Å; C266-C273 CovalentContact SG-SG 2.01Å; C266-C273 PolarHBondContact SG-SG 3.49Å; C273-R275 VanDerWaalsContact C-N 3.31Å; C273-R275 PolarHBondContact O-N 3.43Å
274P65.2Low57.7Low33 Ų3394.2 Ų94.221%0.21450%0.501CS..  trans-64.598.3167.410.8-5.3000108W207 A276 W558W207-P274 HydrophobicContact CB-CG 3.96Å; W207-P274 HydrophobicContact CD2-CG 4.41Å; W207-P274 HydrophobicContact CG-CG 4.1Å; P274-A276 PolarHBondContact O-N 3.05Å; P274-W558 HydrophobicContact CB-CZ2 4.2Å; P274-W558 HydrophobicContact CG-CZ2 3.73Å
275R53.1Low55.2Low140 Ų14097.2 Ų97.253%0.52851%0.514SS..  trans-67.8125.1168.1-86.8-176.3-179.2167.64.3107.3C273 I277C273-R275 VanDerWaalsContact C-N 3.31Å; C273-R275 PolarHBondContact O-N 3.43Å; R275-I277 VanDerWaalsContact C-N 3.25Å; R275-I277 PolarHBondContact O-N 3.41Å
276A51Low52.6Low12 Ų12101.7 Ų101.710%0.09954%0.538CS..  trans-49.9109.414000000104.6Y204 P274 H278Y204-A276 HydrophobicContact CD1-CB 4.2Å; P274-A276 PolarHBondContact O-N 3.05Å; A276-H278 PolarHBondContact O-CD2 3.46Å; A276-H278 PolarHBondContact O-N 3.48Å
277I37.1Very low50.5Low68 Ų68104.1 Ų104.135%0.34955%0.549SS..  trans-6194.4-179.5-63.8171.5000105.7R275 A279R275-I277 VanDerWaalsContact C-N 3.25Å; R275-I277 PolarHBondContact O-N 3.41Å; I277-A279 HydrophobicContact CG2-CB 3.54Å; I277-A279 PolarHBondContact O-N 3.43Å
278H41Very low48.7Very low105 Ų10598.6 Ų98.649%0.48653%0.532SS..THydrogen-bonded Turntrans-68.516.5168.3-65.4-81.9000111.2A276A276-H278 PolarHBondContact O-CD2 3.46Å; A276-H278 PolarHBondContact O-N 3.48Å
279A33Very low47Very low76 Ų7695.3 Ų95.363%0.62852%0.517SS*.THydrogen-bonded Turntrans-106.112-172.700000113.9I277 Q281I277-A279 HydrophobicContact CG2-CB 3.54Å; I277-A279 PolarHBondContact O-N 3.43Å; A279-Q281 VanDerWaalsContact C-N 3.3Å; A279-Q281 PolarHBondContact O-N 3.01Å; A279-Q281 VanDerWaalsContact O-N 3.15Å
280D34.7Very low45.3Very low98 Ų9894.2 Ų94.252%0.52451%0.512SS..SBendtrans-81.687.6158.8-86.1-31.2000108.6R559D280-R559 IonicContact OD2-NH1 3.97Å; D280-R559 IonicContact OD2-NH2 4Å; D280-R559 PolarHBondContact OD2-NH2 3.47Å
281Q31.9Very low43.8Very low175 Ų17593 Ų9382%0.81851%0.505SS*.SBendtrans54.995.5145.1-58.3-177.5-11.500118.2A279 I283A279-Q281 VanDerWaalsContact C-N 3.3Å; A279-Q281 PolarHBondContact O-N 3.01Å; A279-Q281 VanDerWaalsContact O-N 3.15Å; Q281-I283 PolarHBondContact O-N 2.9Å
282G32.2Very low42.6Very low81 Ų8186.3 Ų86.384%0.83546%0.464SS*.SBend82.83.6124.100000120.9
283I28Very low41.8Very low107 Ų10779.3 Ų79.355%0.54944%0.436SS..  trans-138.7104.2172.2-51.7174.3000110Q281 D285Q281-I283 PolarHBondContact O-N 2.9Å; I283-D285 PolarHBondContact O-N 2.99Å
284P35.1Very low41.4Very low121 Ų12178.9 Ų78.979%0.78643%0.433SS*.THydrogen-bonded Turntrans-61.9-21.4179.6-23.333.8000115
285D31.7Very low40.6Very low148 Ų14877.5 Ų77.579%0.79142%0.424SS*.THydrogen-bonded Turntrans-101.24-168-63-23.2000115.7I283I283-D285 PolarHBondContact O-N 2.99Å
286Q29.8Very low40.2Very low159 Ų15974.3 Ų74.374%0.74342%0.415SS*.  trans-1233.3178.8-73.1-157-5.900116.2Q288Q286-Q288 PolarHBondContact O-N 3.29Å
287I35.8Very low39.8Very low65 Ų6577.9 Ų77.933%0.33343%0.429SS..  trans-79.476.7167.9-53.2177.4000107.1Y204 Q289Y204-I287 HydrophobicContact CD2-CG2 4.47Å; Y204-I287 HydrophobicContact CE2-CG2 4.36Å; I287-Q289 VanDerWaalsContact C-N 3.28Å; I287-Q289 PolarHBondContact O-N 3.38Å
288Q39.2Very low39.6Very low92 Ų9281.6 Ų81.643%0.4345%0.449SS..  trans-6387.3176.1-74.1178.6-16.100109.3Q201 Q286 S291Q201-Q288 VanDerWaalsContact NE2-OE1 3.14Å; Q286-Q288 PolarHBondContact O-N 3.29Å; Q288-S291 PolarHBondContact NE2-OG 2.9Å
289Q46.1Very low39.3Very low62 Ų6281.6 Ų81.629%0.2945%0.452SS..SBendtrans-64.5-33.7167.2-106.9175.3-4300110.2N206 I287N206-Q289 PolarHBondContact OD1-NE2 2.97Å; I287-Q289 VanDerWaalsContact C-N 3.28Å; I287-Q289 PolarHBondContact O-N 3.38Å
290H45.3Very low39.2Very low58 Ų5883.1 Ų83.127%0.26945%0.45SS..  trans-151.998.3176.9-56.2-87.8000111.9N206 H296 E493 D495N206-H290 PolarHBondContact ND2-NE2 3.22Å; H290-H296 WeakPolarHBondContact CB-CE1 3.15Å; H290-H296 VanDerWaalsContact CB-NE2 3.29Å; H290-H296 WeakPolarHBondContact CB-NE2 2.96Å; H290-H296 AromaticContact CG-CE1 3.82Å; H290-H296 PolarHBondContact O-NE2 3Å; H290-E493 IonicContact ND1-OE2 3.89Å; H290-E493 PolarHBondContact ND1-OE2 3.49Å; H290-D495 IonicContact CE1-OD2 3.8Å; H290-D495 PolarHBondContact CE1-OD2 2.85Å
291S38.3Very low38.8Very low43 Ų4385.7 Ų85.730%0.30146%0.463SS..  trans-104.417.9174-160.90000113Q288 K321Q288-S291 PolarHBondContact NE2-OG 2.9Å; S291-K321 PolarHBondContact O-NZ 3.14Å
292G49.1Very low38.6Very low3 Ų385.3 Ų85.33%0.03146%0.459CS..SBendtrans-74.8176.3-170.500000116.6F294 E491 E493G292-F294 PolarHBondContact O-N 3.23Å; G292-E491 WeakPolarHBondContact CA-O 3.27Å; G292-E493 VanDerWaalsContact CA-OE1 3.26Å; G292-E493 WeakPolarHBondContact CA-OE1 3.28Å; G292-E493 PolarHBondContact N-OE1 2.93Å
293A52.7Low38.5Very low10 Ų1086.5 Ų86.58%0.08346%0.455CS..SBendtrans-76.1-8.9177.700000112.5Y320 K321 E491A293-Y320 WeakPolarHBondContact O-CA 3.45Å; A293-K321 HydrophobicContact CB-CB 4.23Å; A293-K321 PolarHBondContact O-N 3.34Å; A293-E491 HydrophobicContact CB-CG 4.42Å
294F60Low38.6Very low0 Ų088.9 Ų88.90%047%0.467CS..SBendtrans-82.7122170.3-68.8-102.2000108.4I130 E134 C137 P144 G292 H296 Y320 V488 E493 M496I130-F294 HydrophobicContact CG2-CE2 4.28Å; I130-F294 HydrophobicContact CG2-CZ 4.24Å; E134-F294 VanDerWaalsContact CA-CE1 3.48Å; E134-F294 HydrophobicContact CB-CD1 4.33Å; E134-F294 HydrophobicContact CB-CE1 4.03Å; E134-F294 HydrophobicContact CB-CZ 4.31Å; E134-F294 HydrophobicContact CG-CD1 3.92Å; E134-F294 HydrophobicContact CG-CD2 4Å; E134-F294 HydrophobicContact CG-CE1 3.54Å; E134-F294 HydrophobicContact CG-CE2 3.63Å; E134-F294 HydrophobicContact CG-CG 4.14Å; E134-F294 HydrophobicContact CG-CZ 3.38Å; C137-F294 HydrophobicContact CB-CD1 4.08Å; C137-F294 HydrophobicContact CB-CE1 4.43Å; P144-F294 HydrophobicContact CB-CG 4.5Å; P144-F294 HydrophobicContact CG-CB 3.95Å; P144-F294 HydrophobicContact CG-CG 4.37Å; G292-F294 PolarHBondContact O-N 3.23Å; F294-H296 PolarHBondContact O-NE2 3.28Å; F294-Y320 HydrophobicContact CB-CE1 4.36Å; F294-Y320 HydrophobicContact CD1-CE1 4.44Å; F294-V488 HydrophobicContact CE2-CG1 4.38Å; F294-E493 HydrophobicContact CB-CG 4.37Å; F294-E493 HydrophobicContact CD2-CG 3.61Å; F294-E493 HydrophobicContact CE2-CG 4.29Å; F294-E493 HydrophobicContact CG-CG 4.26Å; F294-M496 HydrophobicContact CD1-SD 4.48Å; F294-M496 HydrophobicContact CD2-SD 4.38Å; F294-M496 HydrophobicContact CE1-CE 3.9Å; F294-M496 HydrophobicContact CE1-SD 3.85Å; F294-M496 HydrophobicContact CE2-CE 4.44Å; F294-M496 HydrophobicContact CE2-SD 3.76Å; F294-M496 HydrophobicContact CZ-CE 3.6Å; F294-M496 HydrophobicContact CZ-SD 3.46Å; F294-M496 WeakPolarHBondContact CZ-SD 3.24Å
295G47.8Very low38.1Very low4 Ų489.8 Ų89.84%0.04147%0.465CS..PPolyproline II helixtrans-71140.1179.400000112.5G319 Y320G295-G319 WeakPolarHBondContact CA-O 3.41Å; G295-Y320 VanDerWaalsContact N-CE2 3.34Å; G295-Y320 VanDerWaalsContact N-CG 3.31Å; G295-Y320 PolarHBondContact O-OH 3.32Å
296H45.5Very low37.7Very low73 Ų7389.1 Ų89.134%0.33847%0.469SS..PPolyproline II helixtrans-85.2133.1-176.9-64.8-52.5000112.1H290 F294 E493H290-H296 WeakPolarHBondContact CB-CE1 3.15Å; H290-H296 VanDerWaalsContact CB-NE2 3.29Å; H290-H296 WeakPolarHBondContact CB-NE2 2.96Å; H290-H296 AromaticContact CG-CE1 3.82Å; H290-H296 PolarHBondContact O-NE2 3Å; F294-H296 PolarHBondContact O-NE2 3.28Å; H296-E493 IonicContact CE1-OE1 3.36Å
297F42.6Very low37.5Very low88 Ų8886.3 Ų86.339%0.38647%0.467SS..  trans-95.394.1161-67.3-75.5000107.3H141 I299H141-F297 HydrophobicContact CB-CE2 4.18Å; H141-F297 HydrophobicContact CB-CZ 4.35Å; H141-F297 AromaticContact CE1-CE1 3.53Å; H141-F297 AromaticContact CE1-CZ 3.57Å; H141-F297 AromaticContact CG-CZ 3.91Å; H141-F297 AromaticContact ND1-CD1 3.78Å; H141-F297 AromaticContact ND1-CE1 3Å; H141-F297 WeakPolarHBondContact ND1-CE1 3.47Å; H141-F297 AromaticContact ND1-CE2 3.57Å; H141-F297 AromaticContact ND1-CZ 2.88Å; H141-F297 WeakPolarHBondContact ND1-CZ 3.31Å; F297-I299 PolarHBondContact O-N 2.97Å; F297-I299 VanDerWaalsContact O-N 3.12Å
298D31.3Very low37.3Very low145 Ų14589 Ų8978%0.77549%0.488SS*.  trans-62.2114160.9-80.5-32.7000107D300D298-D300 PolarHBondContact O-N 3.26Å
299I36.5Very low36.7Very low106 Ų10691.5 Ų91.554%0.54450%0.503SS..  trans-65.999.3161.2-63.1175.1000104.5F297 N301F297-I299 PolarHBondContact O-N 2.97Å; F297-I299 VanDerWaalsContact O-N 3.12Å; I299-N301 PolarHBondContact O-N 2.93Å
300D29.2Very low35.6Very low108 Ų10894.8 Ų94.858%0.57853%0.532SS*.  trans-41.6108.8177.7-93.4-42.8000110.8D298 K302D298-D300 PolarHBondContact O-N 3.26Å; D300-K302 HydrophobicContact CB-CB 4.3Å; D300-K302 PolarHBondContact O-N 3.31Å
301N28Very low34.5Very low152 Ų152100.2 Ų100.281%0.81356%0.557SS**G310 helixtrans-63.89163.8-86.5-31.8000112.4I299 S303I299-N301 PolarHBondContact O-N 2.93Å; N301-S303 VanDerWaalsContact C-N 3.33Å; N301-S303 PolarHBondContact O-N 3.49Å
302K27.4Very low33.8Very low166 Ų166106.7 Ų106.772%0.72258%0.582SS**G310 helixtrans-78.6-7.2178.6-80.2-179.2175.8172.50114.6D300D300-K302 HydrophobicContact CB-CB 4.3Å; D300-K302 PolarHBondContact O-N 3.31Å
303S29.3Very low32.7Very low107 Ų107112.2 Ų112.275%0.74862%0.618SS**G310 helixtrans-83.2-5.3178.660.20000115.2N301N301-S303 VanDerWaalsContact C-N 3.33Å; N301-S303 PolarHBondContact O-N 3.49Å
304L30.1Very low31.4Very low156 Ų156116.4 Ų116.482%0.81765%0.646SS**SBendtrans-127.37.4-175.9-80.8163.7000116.2
305L24.4Very low29.7Very low141 Ų141123.3 Ų123.374%0.73868%0.683SS**  trans-131.5116173.4-87.9156.1000110.9S307L305-S307 PolarHBondContact O-N 2.86Å
306P23.9Very low28.9Very low133 Ų133130.1 Ų130.186%0.86472%0.717SS**  trans-82.8105.6171.532.2-26.6000108.5
307S24.3Very low28Very low100 Ų100135.3 Ų135.370%0.69974%0.738SS**  trans-137126.5160.155.20000109.7L305L305-S307 PolarHBondContact O-N 2.86Å
308P32.2Very low27.7Very low121 Ų121133.2 Ų133.279%0.78673%0.733SS**  trans-87.7114.9-175.533.6-28.1000109.2
309I27.3Very low28.5Very low146 Ų146127.6 Ų127.675%0.74971%0.709SS**  trans-155.4115.3145.1-79.8119.5000105H311I309-H311 PolarHBondContact O-N 3.5Å; I309-H311 VanDerWaalsContact O-N 3.11Å
310C22.7Very low29.4Very low131 Ų131122.7 Ų122.789%0.88568%0.684SS**  trans-61107.6173-57.40000109.2
311H22.2Very low30.7Very low171 Ų171123.2 Ų123.279%0.79268%0.681SS**  trans-103.5126.8151-82.7-72.2000107.1I309I309-H311 PolarHBondContact O-N 3.5Å; I309-H311 VanDerWaalsContact O-N 3.11Å
312E24.1Very low32.2Very low180 Ų180118.6 Ų118.684%0.84165%0.652SS**  trans-36.7148.9168-116.4147.4163.900111.8S314E312-S314 VanDerWaalsContact C-N 3.33Å; E312-S314 PolarHBondContact O-N 2.77Å
313P25.7Very low33.8Very low119 Ų119111.9 Ų111.977%0.77362%0.623SS**  trans-58.699.7-177.824.9-32.3000108.5N315P313-N315 PolarHBondContact O-N 2.96Å
314S25.1Very low34.9Very low97 Ų97112.1 Ų112.168%0.67861%0.613SS**  trans-53.8115.2167.650.60000105.4E312 I316E312-S314 VanDerWaalsContact C-N 3.33Å; E312-S314 PolarHBondContact O-N 2.77Å; S314-I316 PolarHBondContact O-N 3.36Å
315N24.9Very low35.3Very low145 Ų145107.4 Ų107.478%0.77560%0.601SS**  trans-30.5114.9164.4-77.4-24000107.8P313 K317P313-N315 PolarHBondContact O-N 2.96Å; N315-K317 PolarHBondContact O-N 3.26Å
316I30.2Very low35.8Very low148 Ų148108.5 Ų108.576%0.75961%0.608SS**  trans-61.992.4170.2-63172.2000104S314 T318S314-I316 PolarHBondContact O-N 3.36Å; I316-T318 HydrophobicContact CG2-CG2 4.08Å; I316-T318 PolarHBondContact O-N 2.99Å
317K26.8Very low36Very low181 Ų181111 Ų11179%0.78761%0.608SS**  trans-66.192.7170.7-78.8-171.4173.6-167.80104.9N315 G319N315-K317 PolarHBondContact O-N 3.26Å; K317-G319 VanDerWaalsContact C-N 3.3Å; K317-G319 PolarHBondContact O-N 3.02Å
318T36.2Very low36Very low44 Ų44113.6 Ų113.627%0.2761%0.614SS.*  trans-66.298.1169.863.10000105.2K138 I316 Y320K138-T318 PolarHBondContact NZ-OG1 3.29Å; K138-T318 VanDerWaalsContact NZ-OG1 3.11Å; I316-T318 HydrophobicContact CG2-CG2 4.08Å; I316-T318 PolarHBondContact O-N 2.99Å; T318-Y320 PolarHBondContact O-N 3.18Å
319G48.6Very low35.6Very low27 Ų27116.8 Ų116.828%0.27862%0.616SS.*  trans-68.143.7-168.400000115.9G295 K317 K321G295-G319 WeakPolarHBondContact CA-O 3.41Å; K317-G319 VanDerWaalsContact C-N 3.3Å; K317-G319 PolarHBondContact O-N 3.02Å; G319-K321 PolarHBondContact O-N 2.97Å
320Y53.8Low35.5Very low3 Ų3114.5 Ų114.51%0.01261%0.612CS.*  trans-9189.5178.8-72.3-92.4000110.9E134 C137 K138 A293 F294 G295 T318 R322 F323 E324E134-Y320 HydrophobicContact CB-CD1 4.26Å; E134-Y320 HydrophobicContact CB-CE1 4.44Å; E134-Y320 VanDerWaalsContact O-CE1 3.26Å; E134-Y320 WeakPolarHBondContact O-CE1 3.15Å; C137-Y320 HydrophobicContact CB-CE1 4.38Å; K138-Y320 WeakPolarHBondContact CA-OH 3.37Å; K138-Y320 HydrophobicContact CB-CD1 4.42Å; K138-Y320 HydrophobicContact CB-CD2 4.23Å; K138-Y320 HydrophobicContact CB-CE1 3.93Å; K138-Y320 HydrophobicContact CB-CE2 3.74Å; K138-Y320 HydrophobicContact CD-CD2 3.77Å; K138-Y320 HydrophobicContact CD-CE2 4.06Å; K138-Y320 HydrophobicContact CD-CG 4.14Å; K138-Y320 HydrophobicContact CG-CD2 4.02Å; K138-Y320 HydrophobicContact CG-CE2 3.76Å; K138-Y320 PolarHBondContact N-OH 3.2Å; A293-Y320 WeakPolarHBondContact O-CA 3.45Å; F294-Y320 HydrophobicContact CB-CE1 4.36Å; F294-Y320 HydrophobicContact CD1-CE1 4.44Å; G295-Y320 VanDerWaalsContact N-CE2 3.34Å; G295-Y320 VanDerWaalsContact N-CG 3.31Å; G295-Y320 PolarHBondContact O-OH 3.32Å; T318-Y320 PolarHBondContact O-N 3.18Å; Y320-R322 PolarHBondContact O-N 3.01Å; Y320-F323 HydrophobicContact CD1-CD2 4.5Å; Y320-F323 HydrophobicContact CD1-CE2 4.48Å; Y320-F323 HydrophobicContact CG-CD2 4.47Å; Y320-F323 PolarHBondContact O-N 2.94Å; Y320-E324 PolarHBondContact O-N 3.5Å
321K57.9Low35.5Very low119 Ų119113.6 Ų113.652%0.51761%0.607SS.*THydrogen-bonded Turntrans-54.5-26.5-174.5-69.4176176.5165.80114.9S291 A293 G319S291-K321 PolarHBondContact O-NZ 3.14Å; A293-K321 HydrophobicContact CB-CB 4.23Å; A293-K321 PolarHBondContact O-N 3.34Å; G319-K321 PolarHBondContact O-N 2.97Å
322R60.2Low35.4Very low55 Ų55114 Ų11421%0.20861%0.61CS.*THydrogen-bonded Turntrans-85.1-17.6-172.9-147.4166.4-156.4150.94.8114.7D126 E134 Y320 R421 E491D126-R322 PolarHBondContact O-NH2 3.26Å; D126-R322 IonicContact OD1-CZ 2.95Å; D126-R322 IonicContact OD1-NH2 3.29Å; D126-R322 PolarHBondContact OD1-NH2 3.29Å; E134-R322 VanDerWaalsContact OE1-CD 3.27Å; E134-R322 WeakPolarHBondContact OE1-CD 3.46Å; E134-R322 IonicContact OE1-NH1 3.04Å; E134-R322 PolarHBondContact OE1-NH1 3.24Å; E134-R322 VanDerWaalsContact OE1-NH1 3.07Å; E134-R322 WeakPolarHBondContact OE2-CB 3.25Å; Y320-R322 PolarHBondContact O-N 3.01Å; R322-R421 HydrophobicContact CG-CG 4.28Å; R322-E491 IonicContact CZ-OE1 3.36Å; R322-E491 IonicContact NH1-OE1 2.73Å; R322-E491 PolarHBondContact NH1-OE1 3.35Å
323F60.8Low35.3Very low25 Ų25114.3 Ų114.311%0.1161%0.608CS.*THydrogen-bonded Turntrans-102-11.4175.7-58.5-70000112.6P131 E134 R135 Y320 G325 V420P131-F323 WeakPolarHBondContact O-CZ 3.39Å; E134-F323 HydrophobicContact CB-CE2 3.86Å; E134-F323 HydrophobicContact CB-CZ 4.32Å; R135-F323 HydrophobicContact CB-CE1 4.37Å; R135-F323 HydrophobicContact CB-CE2 4.28Å; R135-F323 HydrophobicContact CB-CZ 3.66Å; R135-F323 HydrophobicContact CG-CZ 4.39Å; Y320-F323 HydrophobicContact CD1-CD2 4.5Å; Y320-F323 HydrophobicContact CD1-CE2 4.48Å; Y320-F323 HydrophobicContact CG-CD2 4.47Å; Y320-F323 PolarHBondContact O-N 2.94Å; F323-G325 VanDerWaalsContact C-N 3.33Å; F323-G325 PolarHBondContact O-N 3.39Å; F323-G325 VanDerWaalsContact O-N 3.09Å; F323-V420 HydrophobicContact CE1-CB 4.43Å; F323-V420 HydrophobicContact CE1-CG2 4.12Å; F323-V420 WeakPolarHBondContact CE1-O 3.37Å; F323-V420 HydrophobicContact CZ-CG2 4.29Å
324E52.3Low35.1Very low113 Ų113113.4 Ų113.453%0.52860%0.602SS.*  trans-76.483.9169.3-68.8172.3171.900108.3Y320Y320-E324 PolarHBondContact O-N 3.5Å
325G38.1Very low34.8Very low56 Ų56116.4 Ų116.458%0.57761%0.611SS**  trans-77.6130.5167.500000110.4F323 E327F323-G325 VanDerWaalsContact C-N 3.33Å; F323-G325 PolarHBondContact O-N 3.39Å; F323-G325 VanDerWaalsContact O-N 3.09Å; G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 2.88Å
326D34.8Very low34.7Very low165 Ų165119.6 Ų119.688%0.88261%0.613SS**SBendtrans44.724.7153.2-65.4-27.4000120D328D326-D328 VanDerWaalsContact C-N 3.32Å
327E28.3Very low34.3Very low184 Ų184118 Ų11886%0.8661%0.611SS**THydrogen-bonded Turntrans-81.3-13.1164.2-77.2-167.6172.600112.9G325 F329G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 2.88Å; E327-F329 VanDerWaalsContact C-N 3.27Å; E327-F329 PolarHBondContact O-N 3.35Å
328D23.3Very low34Very low155 Ų155116.1 Ų116.183%0.82961%0.614SS**THydrogen-bonded Turntrans-91.841.4170-74.3-19000111.7D326 C330D326-D328 VanDerWaalsContact C-N 3.32Å; D328-C330 PolarHBondContact O-N 2.9Å
329F24.9Very low33.2Very low188 Ų188122.4 Ų122.483%0.82564%0.641SS**SBendtrans-70.595.6141.4-162.8-90.8000104.4E327 S331E327-F329 VanDerWaalsContact C-N 3.27Å; E327-F329 PolarHBondContact O-N 3.35Å; F329-S331 PolarHBondContact O-N 3.44Å
330C24.2Very low31.8Very low98 Ų98130.8 Ų130.866%0.66267%0.67SS**  trans-34.2107174-720000108.6D328 E332D328-C330 PolarHBondContact O-N 2.9Å; C330-E332 PolarHBondContact O-N 2.99Å
331S22.4Very low30.2Very low112 Ų112140.3 Ų140.378%0.78371%0.711SS**  trans-57.193.7148.2-87.20000104.2F329 K333F329-S331 PolarHBondContact O-N 3.44Å; S331-K333 PolarHBondContact O-N 3.39Å
332E21.5Very low28.4Very low181 Ų181143 Ų14385%0.84673%0.726SS**  trans-4894.7148.7-82.9-179.715300104.9C330 P334C330-E332 PolarHBondContact O-N 2.99Å; E332-P334 WeakPolarHBondContact O-CD 2.98Å; E332-P334 VanDerWaalsContact O-N 3.15Å
333K20.3Very low26.5Very low185 Ų185148.1 Ų148.180%0.80476%0.755SS**  trans-57.1117.5160.9-81.3-179.2174175.60104.3S331 D335S331-K333 PolarHBondContact O-N 3.39Å; K333-D335 PolarHBondContact O-N 2.9Å
334P22.6Very low24.7Very low100 Ų100154.5 Ų154.565%0.64979%0.789SS**  trans-61.8131-179.124.1-30.5000108E332 Y336E332-P334 WeakPolarHBondContact O-CD 2.98Å; E332-P334 VanDerWaalsContact O-N 3.15Å; P334-Y336 PolarHBondContact O-N 2.9Å
335D19.7Very low23Very low161 Ų161155.1 Ų155.186%0.86180%0.801SS**  trans-51.999.3169.4-86.4-34.1000108.7K333 T337K333-D335 PolarHBondContact O-N 2.9Å; D335-T337 PolarHBondContact O-N 3.44Å; D335-T337 VanDerWaalsContact O-N 3.13Å
336Y21.7Very low22.2Very low212 Ų212156.3 Ų156.383%0.83181%0.813SS**  trans-77.295.9162.9-101.3-86.8000107.2P334 T338P334-Y336 PolarHBondContact O-N 2.9Å; Y336-T338 PolarHBondContact O-N 2.75Å
337T21.7Very low21.5Very low115 Ų115152.3 Ų152.371%0.70681%0.81SS**  trans-5011916037.70000108.9D335 E339D335-T337 PolarHBondContact O-N 3.44Å; D335-T337 VanDerWaalsContact O-N 3.13Å; T337-E339 VanDerWaalsContact C-N 3.29Å; T337-E339 PolarHBondContact O-N 3.4Å
338T20.1Very low21Very low141 Ų141152.9 Ų152.987%0.86582%0.816SS**  trans-64.785.6176.7-46.10000109.8Y336Y336-T338 PolarHBondContact O-N 2.75Å
339E20.8Very low20.9Very low176 Ų176151.5 Ų151.582%0.82281%0.813SS**  trans-80.9122.2161.7-79.2-167.3159.900109.2T337 F341T337-E339 VanDerWaalsContact C-N 3.29Å; T337-E339 PolarHBondContact O-N 3.4Å; E339-F341 PolarHBondContact O-N 3.02Å
340K18.9Very low20.7Very low203 Ų203150.5 Ų150.588%0.88382%0.816SS**  trans-50.5120.2176.4-65.2166.4176.2174.90109.8
341F20.8Very low20.5Very low202 Ų202154.2 Ų154.289%0.88682%0.823SS**  trans-122.3123.1159.6-131.9-94.3000109.6E339E339-F341 PolarHBondContact O-N 3.02Å
342E20Very low20.4Very low177 Ų177157.5 Ų157.583%0.82783%0.826SS**  trans-63.8138.8-172.3-72.2172.9142.200112.1I344E342-I344 PolarHBondContact O-N 3.35Å
343I19.7Very low20.4Very low161 Ų161154.6 Ų154.683%0.82682%0.823SS**  trans-74.8102.4176.8-58.2173000107.7
344I21.8Very low20.4Very low160 Ų160154 Ų15482%0.82182%0.823SS**  trans-89.4109.4162.2-61.2-179.3000108E342E342-I344 PolarHBondContact O-N 3.35Å
345T17.9Very low20.3Very low126 Ų126155 Ų15577%0.77383%0.831SS**  trans-57.8130.7167.443.40000112
346G20Very low20.4Very low80 Ų80154 Ų15483%0.82583%0.825SS**  trans168.6108.6162.200000115.6
347G20.6Very low20.4Very low81 Ų81149.8 Ų149.884%0.83582%0.822SS**  trans96.3101.5140.700000118.2
348M18.2Very low20.4Very low197 Ų197152 Ų15297%0.9783%0.829SS**  trans-65124.2159.9-66.4166.7162.200110.8
349V22.4Very low20.5Very low126 Ų126151.8 Ų151.876%0.76483%0.828SS**  trans-146.7118.9150.8178.10000108.5Q351V349-Q351 PolarHBondContact O-N 2.91Å
350D19.6Very low20.7Very low166 Ų166146.5 Ų146.589%0.88882%0.821SS**  trans-61.5115.4167.7-74.8-47.8000110.5
351Q20.4Very low20.9Very low177 Ų177145.6 Ų145.683%0.82782%0.817SS**  trans-136.9114.1159.8-87.6-179.4-5.800110.4V349V349-Q351 PolarHBondContact O-N 2.91Å
352Q19Very low21.2Very low180 Ų180142 Ų14284%0.84181%0.806SS**  trans-48.3138169.9-105.1142.1-62.800112H354Q352-H354 PolarHBondContact O-N 3.49Å; Q352-H354 VanDerWaalsContact O-N 3.11Å
353P23.5Very low21.7Very low121 Ų121139.8 Ų139.879%0.78680%0.8SS**  trans-74.9105.6176.328.7-29.9000109.7
354H19.7Very low22.1Very low173 Ų173137.7 Ų137.780%0.80179%0.791SS**  trans-70.7118.7158.6-102.4-77.6000108.3Q352 D356Q352-H354 PolarHBondContact O-N 3.49Å; Q352-H354 VanDerWaalsContact O-N 3.11Å; H354-D356 PolarHBondContact O-N 2.9Å
355C20.1Very low22.6Very low121 Ų121134.9 Ų134.982%0.81878%0.781SS**  trans-72.793.1171.7-69.20000109.4T357C355-T357 PolarHBondContact O-N 3.44Å
356D21.2Very low23Very low138 Ų138135.2 Ų135.274%0.73877%0.774SS**  trans-77.1110.1170-78.7-24.3000110.4H354 N358H354-D356 PolarHBondContact O-N 2.9Å; D356-N358 PolarHBondContact O-N 3.37Å; D356-N358 VanDerWaalsContact O-N 3.09Å
357T21.4Very low23.3Very low125 Ų125136 Ų13677%0.76776%0.762SS**  trans-61.296.4163.5360000110.2C355C355-T357 PolarHBondContact O-N 3.44Å
358N22.5Very low23.5Very low160 Ų160139.2 Ų139.286%0.85676%0.756SS**  trans-100.388.9159.2-100.8-18.1000109.6D356 G360D356-N358 PolarHBondContact O-N 3.37Å; D356-N358 VanDerWaalsContact O-N 3.09Å; N358-G360 PolarHBondContact O-N 2.87Å
359T22.8Very low24Very low137 Ų137135.8 Ų135.884%0.8475%0.746SS**  trans-57.8105.8159.3420000109.7
360G23.5Very low24.1Very low65 Ų65140.2 Ų140.267%0.6775%0.749SS**  trans-170.1100.7173.700000111.8N358N358-G360 PolarHBondContact O-N 2.87Å
361K24.2Very low24.4Very low185 Ų185136.6 Ų136.680%0.80474%0.736SS**  trans74.868.2171.5-56.3-179.1176.4-177.30115.8
362L27.1Very low24.8Very low125 Ų125131 Ų13165%0.65473%0.727SS**  trans-89.7-10164.3-151.977.9000112.8D364L362-D364 PolarHBondContact O-N 3.04Å
363D29.2Very low25.3Very low131 Ų131129.5 Ų129.570%0.70172%0.724SS**Hα-helixtrans-80.1-18.8-169.5-64.4-18000114.9T367D363-T367 PolarHBondContact O-OG1 3.33Å
364D28.8Very low25.9Very low118 Ų118128.5 Ų128.563%0.63172%0.72SS**Hα-helixtrans-91.8-17.9-178.2-68.6-30.8000113.5L362L362-D364 PolarHBondContact O-N 3.04Å
365V32.1Very low26.9Very low100 Ų100127.4 Ų127.461%0.60672%0.718SS**Hα-helixtrans-91.2-34.5178.9-178.70000110.7T367 Q368 V369V365-T367 VanDerWaalsContact C-N 3.32Å; V365-T367 PolarHBondContact O-N 2.82Å; V365-Q368 PolarHBondContact O-N 2.96Å; V365-V369 WeakPolarHBondContact O-CG2 3.22Å; V365-V369 PolarHBondContact O-N 2.64Å
366E27.6Very low28Very low134 Ų134125.7 Ų125.763%0.62670%0.699SS**Hα-helixtrans-75.7-20.8-178.3-151.1157.1-171.100113
367T25.5Very low29Very low95 Ų95121.4 Ų121.458%0.58368%0.679SS**THydrogen-bonded Turntrans-83.6-25.2172.332.40000114.1D363 V365 S371D363-T367 PolarHBondContact O-OG1 3.33Å; V365-T367 VanDerWaalsContact C-N 3.32Å; V365-T367 PolarHBondContact O-N 2.82Å; T367-S371 PolarHBondContact O-OG 3.13Å
368Q24.6Very low29.8Very low150 Ų150124 Ų12470%0.70168%0.675SS**THydrogen-bonded Turntrans-83-25.5176.8-73.4-85.3-27.800112.8V365 R370 S371V365-Q368 PolarHBondContact O-N 2.96Å; Q368-R370 VanDerWaalsContact C-N 3.3Å; Q368-R370 PolarHBondContact O-N 3.14Å; Q368-S371 PolarHBondContact O-OG 2.99Å
369V28.4Very low30.9Very low125 Ų125123.1 Ų123.176%0.75866%0.664SS**THydrogen-bonded Turntrans-77.2-16.1175.8176.70000112.3V365V365-V369 WeakPolarHBondContact O-CG2 3.22Å; V365-V369 PolarHBondContact O-N 2.64Å
370R24.7Very low32.3Very low219 Ų219121.1 Ų121.183%0.82665%0.648SS**THydrogen-bonded Turntrans-99.4-0.1-178.6-146.3173.4-177.5166.11.5115.4Q368Q368-R370 VanDerWaalsContact C-N 3.3Å; Q368-R370 PolarHBondContact O-N 3.14Å
371S25.6Very low33.6Very low89 Ų89118.6 Ų118.662%0.62262%0.62SS**SBendtrans-10821.6-176.354.50000114.5T367 Q368T367-S371 PolarHBondContact O-OG 3.13Å; Q368-S371 PolarHBondContact O-OG 2.99Å
372G28.3Very low34.9Very low61 Ų61110.4 Ų110.463%0.62959%0.585SS**  trans-102.5-13.6170.500000115.4S374G372-S374 PolarHBondContact O-N 3.27Å
373D30.4Very low36.1Very low147 Ų147108.8 Ų108.879%0.78657%0.573SS**  trans-79.469.3175.4-80.2-18.8000109.9I375D373-I375 PolarHBondContact O-N 2.97Å
374S36.9Very low37.2Very low101 Ų101105.7 Ų105.771%0.70657%0.566SS**  trans-54.9114.6157.658.40000106.7G372 E376G372-S374 PolarHBondContact O-N 3.27Å; S374-E376 PolarHBondContact O-N 3.05Å
375I39.2Very low38.4Very low149 Ų149103 Ų10376%0.76456%0.555SS**  trans-54.692.6168.5-63.8170.6000105.9D373 S377D373-I375 PolarHBondContact O-N 2.97Å; I375-S377 PolarHBondContact O-N 3.44Å; I375-S377 VanDerWaalsContact O-N 3.1Å
376E42.9Very low39.5Very low86 Ų8698.6 Ų98.640%0.40253%0.528SS..  trans-44121.7175.2-77.3-175130.300108.2S374 R424S374-E376 PolarHBondContact O-N 3.05Å; E376-R424 PolarHBondContact O-NH1 2.93Å; E376-R424 PolarHBondContact O-NH2 3.24Å
377S43.2Very low40.9Very low47 Ų47100.6 Ų100.633%0.32953%0.534SS..  trans-65.6155.3-17872.20000109.8I375 F379 D380 T381I375-S377 PolarHBondContact O-N 3.44Å; I375-S377 VanDerWaalsContact O-N 3.1Å; S377-F379 PolarHBondContact O-N 3.49Å; S377-F379 VanDerWaalsContact O-N 3.08Å; S377-F379 WeakPolarHBondContact OG-CB 3.38Å; S377-D380 WeakPolarHBondContact CB-OD2 3.33Å; S377-D380 PolarHBondContact N-OD2 3.1Å; S377-D380 VanDerWaalsContact N-OD2 3.11Å; S377-D380 PolarHBondContact O-N 2.85Å; S377-D380 PolarHBondContact OG-N 3.13Å; S377-D380 PolarHBondContact OG-OD2 3.11Å; S377-T381 PolarHBondContact O-N 3.39Å; S377-T381 PolarHBondContact O-OG1 2.73Å
378W38.7Very low42.7Very low180 Ų18098.4 Ų98.468%0.68252%0.519SS*.Hα-helixtrans-52.7-30.6172.6-144.878.4000110.7C382 L415W378-C382 PolarHBondContact O-N 3.21Å; W378-C382 PolarHBondContact O-SG 2.87Å; W378-L415 HydrophobicContact CH2-CD2 3.63Å; W378-L415 HydrophobicContact CZ3-CD2 3.64Å
379F45.6Very low44.7Very low141 Ų14193.4 Ų93.462%0.61850%0.5SS*.Hα-helixtrans-64.1-54.3171.1-103.9-89.8000112.9S377 T381 C382 F383S377-F379 PolarHBondContact O-N 3.49Å; S377-F379 VanDerWaalsContact O-N 3.08Å; S377-F379 WeakPolarHBondContact OG-CB 3.38Å; F379-T381 PolarHBondContact O-N 3.36Å; F379-C382 PolarHBondContact O-N 3.04Å; F379-F383 AromaticContact CD1-CD2 3.5Å; F379-F383 HydrophobicContact CD1-CD2 3.5Å; F379-F383 AromaticContact CD1-CE2 3.42Å; F379-F383 HydrophobicContact CD1-CE2 3.42Å; F379-F383 VanDerWaalsContact CD1-CE2 3.42Å; F379-F383 HydrophobicContact CD1-CG 4.44Å; F379-F383 HydrophobicContact CD1-CZ 4.3Å; F379-F383 AromaticContact CE1-CD2 3.97Å; F379-F383 HydrophobicContact CE1-CD2 3.97Å; F379-F383 AromaticContact CE1-CE2 3.38Å; F379-F383 HydrophobicContact CE1-CE2 3.38Å; F379-F383 AromaticContact CE1-CZ 3.91Å; F379-F383 HydrophobicContact CE1-CZ 3.91Å; F379-F383 HydrophobicContact CG-CD2 4.26Å; F379-F383 HydrophobicContact CG-CE2 4.28Å; F379-F383 HydrophobicContact CZ-CE2 4.22Å; F379-F383 VanDerWaalsContact O-CB 3.27Å; F379-F383 WeakPolarHBondContact O-CB 3.19Å; F379-F383 VanDerWaalsContact O-CD2 3.3Å; F379-F383 WeakPolarHBondContact O-CD2 3.21Å; F379-F383 PolarHBondContact O-N 3.33Å
380D52.6Low46.4Very low95 Ų9591 Ų9151%0.50849%0.489SS..Hα-helixtrans-61.2-36.6-178.9-58.8-48.3000111.6S377 A384S377-D380 WeakPolarHBondContact CB-OD2 3.33Å; S377-D380 PolarHBondContact N-OD2 3.1Å; S377-D380 VanDerWaalsContact N-OD2 3.11Å; S377-D380 PolarHBondContact O-N 2.85Å; S377-D380 PolarHBondContact OG-N 3.13Å; S377-D380 PolarHBondContact OG-OD2 3.11Å; D380-A384 WeakPolarHBondContact O-CB 3.33Å; D380-A384 PolarHBondContact O-N 3.16Å
381T49.3Very low48.5Very low12 Ų1288.6 Ų88.67%0.07448%0.479CS..Hα-helixtrans-66.1-45.7-178.6-47.80000111.8S377 F379 P385 K422S377-T381 PolarHBondContact O-N 3.39Å; S377-T381 PolarHBondContact O-OG1 2.73Å; F379-T381 PolarHBondContact O-N 3.36Å; T381-P385 WeakPolarHBondContact O-CD 3.48Å; T381-K422 HydrophobicContact CG2-CD 3.55Å; T381-K422 VanDerWaalsContact CG2-NZ 3.3Å; T381-K422 PolarHBondContact O-NZ 3.17Å
382C52.3Low50.6Low13 Ų1391.8 Ų91.89%0.08849%0.485CS..Hα-helixtrans-81.4-36.5-179.6-62.20000112.1W378 F379 L386 C414W378-C382 PolarHBondContact O-N 3.21Å; W378-C382 PolarHBondContact O-SG 2.87Å; F379-C382 PolarHBondContact O-N 3.04Å; C382-L386 WeakPolarHBondContact O-CD1 3.37Å; C382-L386 VanDerWaalsContact O-CG 3.28Å; C382-L386 WeakPolarHBondContact O-CG 3.37Å; C382-C414 VanDerWaalsContact CA-SG 3.52Å
383F53Low53.1Low91 Ų9191.3 Ų91.340%0.39948%0.479SS..Hα-helixtrans-86-21.2-173.4-75.3-92.7000115F379 L386 K387 W407F379-F383 AromaticContact CD1-CD2 3.5Å; F379-F383 HydrophobicContact CD1-CD2 3.5Å; F379-F383 AromaticContact CD1-CE2 3.42Å; F379-F383 HydrophobicContact CD1-CE2 3.42Å; F379-F383 VanDerWaalsContact CD1-CE2 3.42Å; F379-F383 HydrophobicContact CD1-CG 4.44Å; F379-F383 HydrophobicContact CD1-CZ 4.3Å; F379-F383 AromaticContact CE1-CD2 3.97Å; F379-F383 HydrophobicContact CE1-CD2 3.97Å; F379-F383 AromaticContact CE1-CE2 3.38Å; F379-F383 HydrophobicContact CE1-CE2 3.38Å; F379-F383 AromaticContact CE1-CZ 3.91Å; F379-F383 HydrophobicContact CE1-CZ 3.91Å; F379-F383 HydrophobicContact CG-CD2 4.26Å; F379-F383 HydrophobicContact CG-CE2 4.28Å; F379-F383 HydrophobicContact CZ-CE2 4.22Å; F379-F383 VanDerWaalsContact O-CB 3.27Å; F379-F383 WeakPolarHBondContact O-CB 3.19Å; F379-F383 VanDerWaalsContact O-CD2 3.3Å; F379-F383 WeakPolarHBondContact O-CD2 3.21Å; F379-F383 PolarHBondContact O-N 3.33Å; F383-L386 HydrophobicContact CD1-CB 4.45Å; F383-L386 HydrophobicContact CD1-CD1 4.07Å; F383-L386 HydrophobicContact CE1-CD1 4.44Å; F383-L386 HydrophobicContact CG-CD1 4.28Å; F383-L386 CarbonylContact O-C 3.59Å; F383-L386 WeakPolarHBondContact O-CA 3.5Å; F383-L386 WeakPolarHBondContact O-CB 3.42Å; F383-L386 PolarHBondContact O-N 3.33Å; F383-K387 PolarHBondContact O-N 3.31Å; F383-W407 AromaticContact CD1-CH2 3.81Å; F383-W407 HydrophobicContact CD1-CH2 3.81Å; F383-W407 AromaticContact CD1-CZ2 3.91Å; F383-W407 HydrophobicContact CD1-CZ2 3.91Å; F383-W407 AromaticContact CE1-CH2 3.97Å; F383-W407 HydrophobicContact CE1-CH2 3.97Å; F383-W407 AromaticContact CE1-CZ2 3.65Å; F383-W407 HydrophobicContact CE1-CZ2 3.65Å
384A51.1Low55.6Low66 Ų6689.7 Ų89.755%0.54548%0.475SS..Hα-helixtrans-60.9-44.8177.200000113.2D380 L386 K387D380-A384 WeakPolarHBondContact O-CB 3.33Å; D380-A384 PolarHBondContact O-N 3.16Å; A384-L386 VanDerWaalsContact C-N 3.27Å; A384-L386 PolarHBondContact O-N 2.78Å; A384-K387 VanDerWaalsContact O-CB 3.27Å; A384-K387 WeakPolarHBondContact O-CB 3.35Å; A384-K387 PolarHBondContact O-N 2.79Å
385P53.9Low57.6Low61 Ų6193.4 Ų93.440%0.39647%0.473SS..Hα-helixtrans-68.8-24.9170.1-18.731.8000113.6T381 K387T381-P385 WeakPolarHBondContact O-CD 3.48Å; P385-K387 VanDerWaalsContact C-N 3.33Å
386L56.1Low59.4Low8 Ų886.7 Ų86.74%0.04244%0.441CS..Hα-helixtrans-79.1-15.7175.2-65.8162.7000112C382 F383 A384 L388 W407 R410 C411C382-L386 WeakPolarHBondContact O-CD1 3.37Å; C382-L386 VanDerWaalsContact O-CG 3.28Å; C382-L386 WeakPolarHBondContact O-CG 3.37Å; F383-L386 HydrophobicContact CD1-CB 4.45Å; F383-L386 HydrophobicContact CD1-CD1 4.07Å; F383-L386 HydrophobicContact CE1-CD1 4.44Å; F383-L386 HydrophobicContact CG-CD1 4.28Å; F383-L386 CarbonylContact O-C 3.59Å; F383-L386 WeakPolarHBondContact O-CA 3.5Å; F383-L386 WeakPolarHBondContact O-CB 3.42Å; F383-L386 PolarHBondContact O-N 3.33Å; A384-L386 VanDerWaalsContact C-N 3.27Å; A384-L386 PolarHBondContact O-N 2.78Å; L386-L388 PolarHBondContact O-N 3.15Å; L386-W407 HydrophobicContact CB-CD2 4.46Å; L386-W407 HydrophobicContact CB-CE3 4Å; L386-W407 HydrophobicContact CB-CH2 3.47Å; L386-W407 VanDerWaalsContact CB-CH2 3.47Å; L386-W407 HydrophobicContact CB-CZ2 3.92Å; L386-W407 HydrophobicContact CB-CZ3 3.54Å; L386-W407 HydrophobicContact CD1-CH2 4.32Å; L386-W407 HydrophobicContact CD1-CZ2 3.94Å; L386-W407 HydrophobicContact CD2-CD2 3.78Å; L386-W407 HydrophobicContact CD2-CE3 4.02Å; L386-W407 HydrophobicContact CD2-CG 4.27Å; L386-W407 HydrophobicContact CD2-CH2 4.39Å; L386-W407 HydrophobicContact CD2-CZ2 4.11Å; L386-W407 HydrophobicContact CD2-CZ3 4.37Å; L386-W407 HydrophobicContact CG-CH2 4.28Å; L386-W407 HydrophobicContact CG-CZ2 4.23Å; L386-W407 WeakPolarHBondContact O-CZ3 3.39Å; L386-R410 HydrophobicContact CD2-CB 3.74Å; L386-C411 HydrophobicContact CD2-CB 4.24Å
387K57.5Low61.1Low176 Ų17687.9 Ų87.977%0.76545%0.445SS*.  trans-53.9111.9-172.4-169174.7-176.7176.50110.7F383 A384 P385F383-K387 PolarHBondContact O-N 3.31Å; A384-K387 VanDerWaalsContact O-CB 3.27Å; A384-K387 WeakPolarHBondContact O-CB 3.35Å; A384-K387 PolarHBondContact O-N 2.79Å; P385-K387 VanDerWaalsContact C-N 3.33Å
388L62.6Low62.9Low50 Ų5091 Ų9126%0.26246%0.456SS..PPolyproline II helixtrans-66.9134.3-179-74.3153000109.7L386 Y400 C403 A404 W407L386-L388 PolarHBondContact O-N 3.15Å; L388-Y400 HydrophobicContact CB-CD2 3.65Å; L388-Y400 HydrophobicContact CB-CE2 3.43Å; L388-Y400 VanDerWaalsContact CB-CE2 3.43Å; L388-Y400 HydrophobicContact CD1-CE2 3.69Å; L388-Y400 HydrophobicContact CD2-CD2 3.98Å; L388-Y400 HydrophobicContact CD2-CE2 3.93Å; L388-Y400 HydrophobicContact CD2-CG 4.38Å; L388-Y400 HydrophobicContact CG-CD2 4.25Å; L388-Y400 HydrophobicContact CG-CE2 3.87Å; L388-C403 HydrophobicContact CD2-CB 3.74Å; L388-A404 HydrophobicContact CD2-CB 4.07Å; L388-W407 HydrophobicContact CD1-CE3 4.15Å; L388-W407 HydrophobicContact CD1-CZ3 3.87Å; L388-W407 HydrophobicContact CD2-CE3 4.48Å; L388-W407 HydrophobicContact CG-CE3 4.13Å; L388-W407 HydrophobicContact CG-CZ3 3.94Å
389P65.6Low64.6Low45 Ų4588.7 Ų88.729%0.29245%0.448SS..PPolyproline II helixtrans-63.3151.1-179.925.4-33.5000111.5R391 R399 Y400P389-R391 PolarHBondContact O-N 2.96Å; P389-R399 HydrophobicContact CG-CB 4.05Å; P389-Y400 WeakPolarHBondContact O-CD2 3.38Å
390S65.3Low66.2Low75 Ų7586.2 Ų86.252%0.52444%0.435SS..PPolyproline II helixtrans-53.5141174.2-1780000110.9E392S390-E392 PolarHBondContact O-N 3.33Å; S390-E392 PolarHBondContact OG-OE1 3.23Å
391R68.2Low67.5Low168 Ų16884.5 Ų84.563%0.63443%0.434SS*.  trans-75.814.4-173.9-160.7177.7177.8-169-0113.4P389 G393 K397P389-R391 PolarHBondContact O-N 2.96Å; R391-G393 PolarHBondContact O-N 3.28Å; R391-K397 HydrophobicContact CG-CG 3.63Å
392E70.1Confident69Low156 Ų15688.8 Ų88.873%0.72945%0.452SS*.  trans-70.6121.2-172.8-73.8163.7-132.700112.2S390 G396S390-E392 PolarHBondContact O-N 3.33Å; S390-E392 PolarHBondContact OG-OE1 3.23Å; E392-G396 WeakPolarHBondContact O-CA 3.28Å; E392-G396 PolarHBondContact O-N 2.89Å
393G80.8Confident70.4Confident50 Ų5090.2 Ų90.252%0.51546%0.461SS..Hα-helixtrans73.4170.7179.700000115.4R391 R395 G396 K397R391-G393 PolarHBondContact O-N 3.28Å; G393-R395 VanDerWaalsContact C-N 3.3Å; G393-R395 PolarHBondContact O-N 3.44Å; G393-G396 PolarHBondContact O-N 2.7Å; G393-K397 PolarHBondContact O-N 3.44Å
394V82.5Confident71.8Confident114 Ų11487.8 Ų87.869%0.69146%0.458SS*.Hα-helixtrans-61-40179.51800000111.1K397 I398V394-K397 PolarHBondContact O-N 3.43Å; V394-I398 HydrophobicContact CG1-CD1 4.07Å; V394-I398 WeakPolarHBondContact O-CG1 3.28Å; V394-I398 PolarHBondContact O-N 2.91Å; V394-I398 VanDerWaalsContact O-N 3.08Å
395R78.8Confident73.4Confident178 Ų17889.5 Ų89.567%0.67245%0.453SS*.Hα-helixtrans-66.1-37.3177.3-168.9179-177.8-176.10.1112.2G393 R399G393-R395 VanDerWaalsContact C-N 3.3Å; G393-R395 PolarHBondContact O-N 3.44Å; R395-R399 VanDerWaalsContact NH2-NH2 3.16Å; R395-R399 WeakPolarHBondContact O-CB 3.36Å; R395-R399 WeakPolarHBondContact O-CG 3.31Å; R395-R399 PolarHBondContact O-N 2.75Å; R395-R399 VanDerWaalsContact O-N 3.07Å
396G77.4Confident75Confident9 Ų986.7 Ų86.79%0.09344%0.435CS..Hα-helixtrans-65.7-46174.900000111.8E392 G393 I398 R399 Y400E392-G396 WeakPolarHBondContact O-CA 3.28Å; E392-G396 PolarHBondContact O-N 2.89Å; G393-G396 PolarHBondContact O-N 2.7Å; G396-I398 PolarHBondContact O-N 3.45Å; G396-R399 PolarHBondContact O-N 3.28Å; G396-Y400 WeakPolarHBondContact O-CB 3.44Å; G396-Y400 PolarHBondContact O-N 3.46Å
397K78.2Confident76.4Confident110 Ų11089.8 Ų89.848%0.47845%0.446SS..Hα-helixtrans-57.3-44.4174.7-72.8178.9-177.3179.60113.1R391 G393 V394 Y400 A401R391-K397 HydrophobicContact CG-CG 3.63Å; G393-K397 PolarHBondContact O-N 3.44Å; V394-K397 PolarHBondContact O-N 3.43Å; K397-Y400 PolarHBondContact O-N 3.47Å; K397-A401 WeakPolarHBondContact O-CB 2.91Å; K397-A401 PolarHBondContact O-N 3.47Å
398I80.6Confident77.9Confident112 Ų11285.1 Ų85.157%0.57443%0.434SS*.Hα-helixtrans-65.1-45.1178.3-67.7167.8000110.8V394 G396 A401 F402V394-I398 HydrophobicContact CG1-CD1 4.07Å; V394-I398 WeakPolarHBondContact O-CG1 3.28Å; V394-I398 PolarHBondContact O-N 2.91Å; V394-I398 VanDerWaalsContact O-N 3.08Å; G396-I398 PolarHBondContact O-N 3.45Å; I398-A401 PolarHBondContact O-N 2.98Å; I398-F402 WeakPolarHBondContact O-CB 3.23Å; I398-F402 PolarHBondContact O-N 2.67Å
399R75.7Confident79.1Confident132 Ų13283.2 Ų83.250%0.49842%0.424SS..Hα-helixtrans-61.2-44.7176.3-76.2173.9168.8-178.5-8.3111.8P389 R395 G396 F402 C403P389-R399 HydrophobicContact CG-CB 4.05Å; R395-R399 VanDerWaalsContact NH2-NH2 3.16Å; R395-R399 WeakPolarHBondContact O-CB 3.36Å; R395-R399 WeakPolarHBondContact O-CG 3.31Å; R395-R399 PolarHBondContact O-N 2.75Å; R395-R399 VanDerWaalsContact O-N 3.07Å; G396-R399 PolarHBondContact O-N 3.28Å; R399-F402 PolarHBondContact O-N 2.9Å; R399-C403 WeakPolarHBondContact O-CB 3.49Å; R399-C403 PolarHBondContact O-N 3.47Å; R399-C403 PolarHBondContact O-SG 2.63Å
400Y78.3Confident80.1Confident90 Ų9084.2 Ų84.235%0.35342%0.422SS..Hα-helixtrans-58-49.2175.8-179.5-83.3000111.3L388 P389 G396 K397 F402 C403 A404L388-Y400 HydrophobicContact CB-CD2 3.65Å; L388-Y400 HydrophobicContact CB-CE2 3.43Å; L388-Y400 VanDerWaalsContact CB-CE2 3.43Å; L388-Y400 HydrophobicContact CD1-CE2 3.69Å; L388-Y400 HydrophobicContact CD2-CD2 3.98Å; L388-Y400 HydrophobicContact CD2-CE2 3.93Å; L388-Y400 HydrophobicContact CD2-CG 4.38Å; L388-Y400 HydrophobicContact CG-CD2 4.25Å; L388-Y400 HydrophobicContact CG-CE2 3.87Å; P389-Y400 WeakPolarHBondContact O-CD2 3.38Å; G396-Y400 WeakPolarHBondContact O-CB 3.44Å; G396-Y400 PolarHBondContact O-N 3.46Å; K397-Y400 PolarHBondContact O-N 3.47Å; Y400-F402 VanDerWaalsContact C-N 3.34Å; Y400-F402 PolarHBondContact O-N 2.61Å; Y400-C403 PolarHBondContact O-N 3.23Å; Y400-A404 VanDerWaalsContact O-CB 3.31Å; Y400-A404 WeakPolarHBondContact O-CB 3.36Å; Y400-A404 PolarHBondContact O-N 2.99Å
401A80Confident81.2Confident59 Ų5982.4 Ų82.449%0.48841%0.409SS..Hα-helixtrans-61-41.817900000112.2K397 I398 A404 F405K397-A401 WeakPolarHBondContact O-CB 2.91Å; K397-A401 PolarHBondContact O-N 3.47Å; I398-A401 PolarHBondContact O-N 2.98Å; A401-A404 PolarHBondContact O-N 3.09Å; A401-F405 WeakPolarHBondContact O-CB 3.48Å; A401-F405 PolarHBondContact O-N 3.18Å
402F81.4Confident82.2Confident102 Ų10276 Ų7645%0.44739%0.392SS..Hα-helixtrans-66.6-43.6176.9-175.2-106.1000112.6I119 I398 R399 Y400 A404 F405 L406I119-F402 HydrophobicContact CD1-CE2 4.13Å; I119-F402 HydrophobicContact CD1-CZ 4.2Å; I119-F402 HydrophobicContact CG2-CZ 4.31Å; I398-F402 WeakPolarHBondContact O-CB 3.23Å; I398-F402 PolarHBondContact O-N 2.67Å; R399-F402 PolarHBondContact O-N 2.9Å; Y400-F402 VanDerWaalsContact C-N 3.34Å; Y400-F402 PolarHBondContact O-N 2.61Å; F402-A404 VanDerWaalsContact C-N 3.34Å; F402-A404 PolarHBondContact O-N 3.48Å; F402-F405 PolarHBondContact O-N 3.19Å; F402-L406 HydrophobicContact CD1-CD1 3.76Å; F402-L406 HydrophobicContact CD2-CD1 4.47Å; F402-L406 HydrophobicContact CE1-CD1 3.25Å; F402-L406 HydrophobicContact CE1-CG 4.46Å; F402-L406 HydrophobicContact CE2-CD1 4.04Å; F402-L406 HydrophobicContact CG-CD1 4.36Å; F402-L406 HydrophobicContact CZ-CD1 3.42Å; F402-L406 VanDerWaalsContact CZ-CD1 3.42Å; F402-L406 HydrophobicContact CZ-CG 4.39Å; F402-L406 PolarHBondContact O-N 2.92Å
403C80.7Confident83.2Confident42 Ų4268.7 Ų68.728%0.28436%0.358SS..Hα-helixtrans-63.3-39.4174.1-72.40000111.8L388 R399 Y400 F405 L406 W407L388-C403 HydrophobicContact CD2-CB 3.74Å; R399-C403 WeakPolarHBondContact O-CB 3.49Å; R399-C403 PolarHBondContact O-N 3.47Å; R399-C403 PolarHBondContact O-SG 2.63Å; Y400-C403 PolarHBondContact O-N 3.23Å; C403-F405 VanDerWaalsContact C-N 3.35Å; C403-L406 PolarHBondContact O-N 3.38Å; C403-W407 PolarHBondContact O-N 3.24Å
404A82.5Confident83.5Confident41 Ų4167.5 Ų67.534%0.33934%0.342SS..Hα-helixtrans-65.6-37.3175.200000111.9L388 Y400 A401 F402 W407L388-A404 HydrophobicContact CD2-CB 4.07Å; Y400-A404 VanDerWaalsContact O-CB 3.31Å; Y400-A404 WeakPolarHBondContact O-CB 3.36Å; Y400-A404 PolarHBondContact O-N 2.99Å; A401-A404 PolarHBondContact O-N 3.09Å; F402-A404 VanDerWaalsContact C-N 3.34Å; F402-A404 PolarHBondContact O-N 3.48Å; A404-W407 WeakPolarHBondContact O-CB 3.48Å; A404-W407 PolarHBondContact O-N 3.06Å
405F85.1Confident83.8Confident101 Ų10166.5 Ų66.544%0.44333%0.332SS..Hα-helixtrans-65.5-41.2175.4177.9-118.1000112.4V112 Y116 A401 F402 C403 W407 P408V112-F405 HydrophobicContact CG1-CZ 4.39Å; Y116-F405 HydrophobicContact CD2-CD1 4Å; Y116-F405 AromaticContact CD2-CE1 3.32Å; Y116-F405 HydrophobicContact CD2-CE1 3.32Å; Y116-F405 HydrophobicContact CD2-CE2 4.15Å; Y116-F405 AromaticContact CD2-CZ 3.38Å; Y116-F405 HydrophobicContact CD2-CZ 3.38Å; Y116-F405 HydrophobicContact CE2-CD1 4.15Å; Y116-F405 AromaticContact CE2-CE1 3.89Å; Y116-F405 HydrophobicContact CE2-CE1 3.89Å; Y116-F405 HydrophobicContact CE2-CE2 4.29Å; Y116-F405 AromaticContact CE2-CZ 3.94Å; Y116-F405 HydrophobicContact CE2-CZ 3.94Å; Y116-F405 WeakPolarHBondContact CE2-O 3.44Å; Y116-F405 HydrophobicContact CG-CE1 4.35Å; Y116-F405 HydrophobicContact CG-CZ 4.17Å; A401-F405 WeakPolarHBondContact O-CB 3.48Å; A401-F405 PolarHBondContact O-N 3.18Å; F402-F405 PolarHBondContact O-N 3.19Å; C403-F405 VanDerWaalsContact C-N 3.35Å; F405-W407 VanDerWaalsContact C-N 3.28Å; F405-W407 PolarHBondContact O-N 3.09Å; F405-P408 WeakPolarHBondContact O-CD 3.45Å
406L87.5Confident84.4Confident3 Ų360.8 Ų60.82%0.01632%0.317CS..Hα-helixtrans-82.9-4.2177.8-66.6169.9000113.9Y116 I119 L123 F402 C403 L409 R410Y116-L406 HydrophobicContact CD2-CD2 4.11Å; Y116-L406 HydrophobicContact CE2-CD2 3.9Å; I119-L406 HydrophobicContact CB-CD2 4.32Å; I119-L406 HydrophobicContact CG2-CD1 3.92Å; I119-L406 HydrophobicContact CG2-CD2 3.62Å; I119-L406 HydrophobicContact CG2-CG 4.43Å; L123-L406 HydrophobicContact CD1-CD1 4.1Å; L123-L406 HydrophobicContact CD1-CD2 4.43Å; F402-L406 HydrophobicContact CD1-CD1 3.76Å; F402-L406 HydrophobicContact CD2-CD1 4.47Å; F402-L406 HydrophobicContact CE1-CD1 3.25Å; F402-L406 HydrophobicContact CE1-CG 4.46Å; F402-L406 HydrophobicContact CE2-CD1 4.04Å; F402-L406 HydrophobicContact CG-CD1 4.36Å; F402-L406 HydrophobicContact CZ-CD1 3.42Å; F402-L406 VanDerWaalsContact CZ-CD1 3.42Å; F402-L406 HydrophobicContact CZ-CG 4.39Å; F402-L406 PolarHBondContact O-N 2.92Å; C403-L406 PolarHBondContact O-N 3.38Å; L406-L409 PolarHBondContact O-N 3.05Å; L406-R410 PolarHBondContact O-N 3.38Å
407W85.6Confident85.1Confident72 Ų7260.6 Ų60.627%0.27331%0.314SS..Hα-helixtrans-55.1-47.7-176.6178.4-75.9000113.2F383 L386 L388 C403 A404 F405 L409 R410 C411F383-W407 AromaticContact CD1-CH2 3.81Å; F383-W407 HydrophobicContact CD1-CH2 3.81Å; F383-W407 AromaticContact CD1-CZ2 3.91Å; F383-W407 HydrophobicContact CD1-CZ2 3.91Å; F383-W407 AromaticContact CE1-CH2 3.97Å; F383-W407 HydrophobicContact CE1-CH2 3.97Å; F383-W407 AromaticContact CE1-CZ2 3.65Å; F383-W407 HydrophobicContact CE1-CZ2 3.65Å; L386-W407 HydrophobicContact CB-CD2 4.46Å; L386-W407 HydrophobicContact CB-CE3 4Å; L386-W407 HydrophobicContact CB-CH2 3.47Å; L386-W407 VanDerWaalsContact CB-CH2 3.47Å; L386-W407 HydrophobicContact CB-CZ2 3.92Å; L386-W407 HydrophobicContact CB-CZ3 3.54Å; L386-W407 HydrophobicContact CD1-CH2 4.32Å; L386-W407 HydrophobicContact CD1-CZ2 3.94Å; L386-W407 HydrophobicContact CD2-CD2 3.78Å; L386-W407 HydrophobicContact CD2-CE3 4.02Å; L386-W407 HydrophobicContact CD2-CG 4.27Å; L386-W407 HydrophobicContact CD2-CH2 4.39Å; L386-W407 HydrophobicContact CD2-CZ2 4.11Å; L386-W407 HydrophobicContact CD2-CZ3 4.37Å; L386-W407 HydrophobicContact CG-CH2 4.28Å; L386-W407 HydrophobicContact CG-CZ2 4.23Å; L386-W407 WeakPolarHBondContact O-CZ3 3.39Å; L388-W407 HydrophobicContact CD1-CE3 4.15Å; L388-W407 HydrophobicContact CD1-CZ3 3.87Å; L388-W407 HydrophobicContact CD2-CE3 4.48Å; L388-W407 HydrophobicContact CG-CE3 4.13Å; L388-W407 HydrophobicContact CG-CZ3 3.94Å; C403-W407 PolarHBondContact O-N 3.24Å; A404-W407 WeakPolarHBondContact O-CB 3.48Å; A404-W407 PolarHBondContact O-N 3.06Å; F405-W407 VanDerWaalsContact C-N 3.28Å; F405-W407 PolarHBondContact O-N 3.09Å; W407-L409 VanDerWaalsContact C-N 3.27Å; W407-L409 PolarHBondContact O-N 3.22Å; W407-R410 PolarHBondContact O-N 3.11Å; W407-C411 VanDerWaalsContact O-CB 3.28Å; W407-C411 WeakPolarHBondContact O-CB 3.38Å; W407-C411 PolarHBondContact O-N 2.95Å
408P89.6Confident85.6Confident79 Ų7955.7 Ų55.751%0.51329%0.293SS..Hα-helixtrans-61.1-38.7-178-22.334.9000112.1F405 C411 A412F405-P408 WeakPolarHBondContact O-CD 3.45Å; P408-C411 PolarHBondContact O-N 3.01Å; P408-A412 WeakPolarHBondContact O-CB 3.38Å; P408-A412 PolarHBondContact O-N 3.46Å
409L88.1Confident85.9Confident10 Ų1050.9 Ų50.95%0.05227%0.268CS..Hα-helixtrans-67.4-48.7177.3-176.6118.1000111.4Y116 L123 L406 W407 C411 A412 L413 F446Y116-L409 HydrophobicContact CE1-CB 4.42Å; Y116-L409 HydrophobicContact CE1-CD1 4.17Å; Y116-L409 WeakPolarHBondContact OH-CB 3.45Å; L123-L409 HydrophobicContact CD1-CD2 4Å; L406-L409 PolarHBondContact O-N 3.05Å; W407-L409 VanDerWaalsContact C-N 3.27Å; W407-L409 PolarHBondContact O-N 3.22Å; L409-C411 VanDerWaalsContact C-N 3.27Å; L409-C411 PolarHBondContact O-N 3.42Å; L409-A412 PolarHBondContact O-N 3.08Å; L409-L413 HydrophobicContact CD2-CD1 3.99Å; L409-L413 HydrophobicContact CG-CD1 4.26Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.28Å; L409-L413 PolarHBondContact O-N 2.85Å; L409-F446 HydrophobicContact CD1-CD1 4.47Å; L409-F446 HydrophobicContact CD1-CE1 3.61Å; L409-F446 HydrophobicContact CD1-CE2 3.99Å; L409-F446 HydrophobicContact CD1-CZ 3.33Å; L409-F446 HydrophobicContact CG-CZ 3.98Å
410R86.6Confident86.5Confident65 Ų6544.7 Ų44.725%0.24525%0.245CC..Hα-helixtrans-58.9-40.3175.7-73.5-171175.1-79.73.4112.2D127 L386 L406 W407 C414D127-R410 IonicContact OD2-CZ 3.1Å; D127-R410 IonicContact OD2-NH1 3.73Å; D127-R410 PolarHBondContact OD2-NH1 3.11Å; L386-R410 HydrophobicContact CD2-CB 3.74Å; L406-R410 PolarHBondContact O-N 3.38Å; W407-R410 PolarHBondContact O-N 3.11Å; R410-C414 WeakPolarHBondContact O-CB 3.31Å; R410-C414 PolarHBondContact O-N 3.34Å
411C87Confident86.7Confident37 Ų3743.4 Ų43.425%0.2524%0.239CC..Hα-helixtrans-63.1-49.3176.8-173.10000110.8L386 W407 P408 L409 L413 C414 L415L386-C411 HydrophobicContact CD2-CB 4.24Å; W407-C411 VanDerWaalsContact O-CB 3.28Å; W407-C411 WeakPolarHBondContact O-CB 3.38Å; W407-C411 PolarHBondContact O-N 2.95Å; P408-C411 PolarHBondContact O-N 3.01Å; L409-C411 VanDerWaalsContact C-N 3.27Å; L409-C411 PolarHBondContact O-N 3.42Å; C411-L413 PolarHBondContact O-N 3.4Å; C411-C414 PolarHBondContact O-N 2.99Å; C411-L415 WeakPolarHBondContact O-CB 3.37Å; C411-L415 VanDerWaalsContact O-CG 3.23Å; C411-L415 WeakPolarHBondContact O-CG 3.5Å; C411-L415 PolarHBondContact O-N 3.33Å
412A89.8Confident86.6Confident33 Ų3342.4 Ų42.427%0.27322%0.224SC..Hα-helixtrans-59.1-45.9177.900000112.3P408 L409 L415 T416 W442P408-A412 WeakPolarHBondContact O-CB 3.38Å; P408-A412 PolarHBondContact O-N 3.46Å; L409-A412 PolarHBondContact O-N 3.08Å; A412-L415 PolarHBondContact O-N 2.88Å; A412-T416 WeakPolarHBondContact O-CB 3.37Å; A412-T416 WeakPolarHBondContact O-CG2 3.48Å; A412-T416 PolarHBondContact O-N 3.46Å; A412-T416 VanDerWaalsContact O-N 3.17Å; A412-T416 PolarHBondContact O-OG1 3.24Å; A412-W442 HydrophobicContact CB-CH2 4.36Å; A412-W442 HydrophobicContact CB-CZ2 4.49Å
413L90.7Very high86.4Confident3 Ų342 Ų422%0.01623%0.231CC..Hα-helixtrans-64.5-44.2177.4-66-178.8000111.7L124 Y128 L409 C411 L415 T416 I417 W442 F446L124-L413 HydrophobicContact CB-CD1 4.19Å; L124-L413 HydrophobicContact CD1-CD1 4.42Å; L124-L413 HydrophobicContact CD1-CD2 4Å; Y128-L413 HydrophobicContact CE2-CB 4Å; L409-L413 HydrophobicContact CD2-CD1 3.99Å; L409-L413 HydrophobicContact CG-CD1 4.26Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.28Å; L409-L413 PolarHBondContact O-N 2.85Å; C411-L413 PolarHBondContact O-N 3.4Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 2.78Å; L413-T416 PolarHBondContact O-N 3.31Å; L413-T416 PolarHBondContact O-OG1 3.2Å; L413-I417 HydrophobicContact CD2-CD1 3.84Å; L413-I417 WeakPolarHBondContact O-CB 3.27Å; L413-I417 PolarHBondContact O-N 3.16Å; L413-W442 HydrophobicContact CD2-CB 4.24Å; L413-W442 HydrophobicContact CD2-CD2 4Å; L413-W442 HydrophobicContact CD2-CE3 4.5Å; L413-W442 HydrophobicContact CD2-CG 3.88Å; L413-F446 HydrophobicContact CD1-CE2 4.27Å; L413-F446 HydrophobicContact CD1-CZ 4.45Å; L413-F446 HydrophobicContact CD2-CE2 4Å; L413-F446 HydrophobicContact CD2-CZ 3.86Å; L413-F446 HydrophobicContact CG-CZ 4.35Å
414C87.7Confident86.3Confident26 Ų2643.9 Ų43.918%0.17623%0.231CC..Hα-helixtrans-66.9-31.4179.8-168.70000113.4Y128 C382 R410 C411Y128-C414 WeakPolarHBondContact OH-CA 3.35Å; C382-C414 VanDerWaalsContact CA-SG 3.52Å; R410-C414 WeakPolarHBondContact O-CB 3.31Å; R410-C414 PolarHBondContact O-N 3.34Å; C411-C414 PolarHBondContact O-N 2.99Å
415L88.4Confident86.2Confident93 Ų9345.9 Ų45.949%0.48723%0.23SC..Hα-helixtrans-77.3-26177.4-71.4172000112.9W378 C411 A412 L413W378-L415 HydrophobicContact CH2-CD2 3.63Å; W378-L415 HydrophobicContact CZ3-CD2 3.64Å; C411-L415 WeakPolarHBondContact O-CB 3.37Å; C411-L415 VanDerWaalsContact O-CG 3.23Å; C411-L415 WeakPolarHBondContact O-CG 3.5Å; C411-L415 PolarHBondContact O-N 3.33Å; A412-L415 PolarHBondContact O-N 2.88Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 2.78Å
416T90.8Very high85.8Confident57 Ų5743.3 Ų43.335%0.3522%0.22SC..Hα-helixtrans-106.7-29.4-171.855.30000114A412 L413 W442A412-T416 WeakPolarHBondContact O-CB 3.37Å; A412-T416 WeakPolarHBondContact O-CG2 3.48Å; A412-T416 PolarHBondContact O-N 3.46Å; A412-T416 VanDerWaalsContact O-N 3.17Å; A412-T416 PolarHBondContact O-OG1 3.24Å; L413-T416 PolarHBondContact O-N 3.31Å; L413-T416 PolarHBondContact O-OG1 3.2Å; T416-W442 HydrophobicContact CG2-CZ2 4.13Å; T416-W442 PolarHBondContact OG1-NE1 2.87Å
417I91.9Very high85.3Confident6 Ų650.4 Ų50.43%0.03125%0.253CS..SBendtrans-107.1120.3-174.7-49.3-174.3000110.3L124 Y128 L413 D419 M438 W442L124-I417 HydrophobicContact CD1-CD1 3.26Å; Y128-I417 HydrophobicContact CD1-CB 3.86Å; Y128-I417 HydrophobicContact CD1-CG2 3.54Å; Y128-I417 HydrophobicContact CE1-CB 4.12Å; Y128-I417 HydrophobicContact CE1-CG2 4.27Å; Y128-I417 HydrophobicContact CG-CB 4.32Å; Y128-I417 HydrophobicContact CG-CD1 4.38Å; Y128-I417 HydrophobicContact CG-CG2 3.95Å; L413-I417 HydrophobicContact CD2-CD1 3.84Å; L413-I417 WeakPolarHBondContact O-CB 3.27Å; L413-I417 PolarHBondContact O-N 3.16Å; I417-D419 PolarHBondContact O-N 3.44Å; I417-M438 HydrophobicContact CG1-CB 4.06Å; I417-M438 HydrophobicContact CG2-CB 4.39Å; I417-W442 HydrophobicContact CD1-CG 4.38Å
418P89.9Confident85.3Confident6 Ų651 Ų514%0.03926%0.26CS..  trans-58.4122.4167.8-2434.3000111.5V420 W425 L434 S435P418-V420 PolarHBondContact O-N 3.1Å; P418-W425 HydrophobicContact CB-CD2 3.77Å; P418-W425 HydrophobicContact CB-CE3 3.67Å; P418-W425 HydrophobicContact CB-CG 4.32Å; P418-W425 HydrophobicContact CB-CH2 4.18Å; P418-W425 HydrophobicContact CB-CZ2 4.29Å; P418-W425 HydrophobicContact CB-CZ3 3.88Å; P418-W425 HydrophobicContact CG-CE3 4.28Å; P418-W425 HydrophobicContact CG-CH2 4.16Å; P418-W425 HydrophobicContact CG-CZ3 3.99Å; P418-L434 HydrophobicContact CG-CB 4.36Å; P418-L434 HydrophobicContact CG-CD2 3.74Å; P418-L434 HydrophobicContact CG-CG 3.86Å; P418-S435 VanDerWaalsContact O-CB 3.31Å; P418-S435 WeakPolarHBondContact O-CB 3.49Å; P418-S435 PolarHBondContact O-OG 3.15Å
419D87.6Confident84.7Confident12 Ų1252.3 Ų52.36%0.06427%0.269CS..  trans-84.4101.3174.5-169.9-16.1000109.9Y128 I417 R421 K422 W425Y128-D419 HydrophobicContact CD1-CB 4.41Å; Y128-D419 HydrophobicContact CE1-CB 3.98Å; I417-D419 PolarHBondContact O-N 3.44Å; D419-R421 PolarHBondContact O-N 2.84Å; D419-R421 VanDerWaalsContact O-N 3.14Å; D419-R421 VanDerWaalsContact OD1-CB 3.24Å; D419-R421 WeakPolarHBondContact OD1-CB 3.37Å; D419-R421 WeakPolarHBondContact OD1-CG 3Å; D419-R421 IonicContact OD1-CZ 3.89Å; D419-R421 PolarHBondContact OD1-N 2.84Å; D419-R421 IonicContact OD1-NE 3.71Å; D419-R421 PolarHBondContact OD1-NE 3.04Å; D419-R421 IonicContact OD1-NH2 2.78Å; D419-R421 IonicContact OD2-CZ 3.71Å; D419-R421 IonicContact OD2-NE 2.85Å; D419-R421 PolarHBondContact OD2-NE 2.95Å; D419-R421 IonicContact OD2-NH2 3.86Å; D419-R421 PolarHBondContact OD2-NH2 2.89Å; D419-K422 HydrophobicContact CB-CD 4.43Å; D419-K422 HydrophobicContact CB-CG 4.22Å; D419-K422 PolarHBondContact O-N 3.04Å; D419-W425 WeakPolarHBondContact O-CB 3.34Å; D419-W425 VanDerWaalsContact O-CD1 3.3Å
420V87.4Confident84.7Confident1 Ų154.6 Ų54.61%0.00629%0.289CS..THydrogen-bonded Turntrans-63-16.5-179.5-64.30000113.6P131 C132 R135 F323 P418 K422 Q426 H432P131-V420 HydrophobicContact CB-CG2 3.9Å; C132-V420 HydrophobicContact CB-CG1 4.26Å; C132-V420 HydrophobicContact CB-CG2 4.23Å; R135-V420 HydrophobicContact CB-CB 4.49Å; R135-V420 HydrophobicContact CB-CG2 4.44Å; F323-V420 HydrophobicContact CE1-CB 4.43Å; F323-V420 HydrophobicContact CE1-CG2 4.12Å; F323-V420 WeakPolarHBondContact CE1-O 3.37Å; F323-V420 HydrophobicContact CZ-CG2 4.29Å; P418-V420 PolarHBondContact O-N 3.1Å; V420-K422 PolarHBondContact O-N 3.43Å; V420-Q426 WeakPolarHBondContact O-CG 3.41Å; V420-H432 HydrophobicContact CG1-CB 4.12Å
421R82.6Confident84.9Confident63 Ų6351.6 Ų51.624%0.23828%0.278CS..THydrogen-bonded Turntrans-70.6-25.9178.9-59.7173.3-65.5-172.84.9111.2D127 P131 R322 D419 Q426D127-R421 PolarHBondContact O-NE 2.98Å; D127-R421 PolarHBondContact O-NH1 2.9Å; D127-R421 PolarHBondContact O-NH2 3.43Å; D127-R421 VanDerWaalsContact O-NH2 3.11Å; D127-R421 IonicContact OD1-NH1 3.57Å; D127-R421 PolarHBondContact OD1-NH1 3.3Å; D127-R421 IonicContact OD1-NH2 2.97Å; P131-R421 HydrophobicContact CB-CG 3.89Å; P131-R421 HydrophobicContact CG-CG 4.4Å; R322-R421 HydrophobicContact CG-CG 4.28Å; D419-R421 PolarHBondContact O-N 2.84Å; D419-R421 VanDerWaalsContact O-N 3.14Å; D419-R421 VanDerWaalsContact OD1-CB 3.24Å; D419-R421 WeakPolarHBondContact OD1-CB 3.37Å; D419-R421 WeakPolarHBondContact OD1-CG 3Å; D419-R421 IonicContact OD1-CZ 3.89Å; D419-R421 PolarHBondContact OD1-N 2.84Å; D419-R421 IonicContact OD1-NE 3.71Å; D419-R421 PolarHBondContact OD1-NE 3.04Å; D419-R421 IonicContact OD1-NH2 2.78Å; D419-R421 IonicContact OD2-CZ 3.71Å; D419-R421 IonicContact OD2-NE 2.85Å; D419-R421 PolarHBondContact OD2-NE 2.95Å; D419-R421 IonicContact OD2-NH2 3.86Å; D419-R421 PolarHBondContact OD2-NH2 2.89Å; R421-Q426 PolarHBondContact O-NE2 2.89Å
422K78.3Confident85.1Confident38 Ų3850.3 Ų50.317%0.16527%0.269CS..SBendtrans-84136.7-175.9-57.3-166.4178.5-157.40112.5T381 D419 V420 R424 W425 Q426T381-K422 HydrophobicContact CG2-CD 3.55Å; T381-K422 VanDerWaalsContact CG2-NZ 3.3Å; T381-K422 PolarHBondContact O-NZ 3.17Å; D419-K422 HydrophobicContact CB-CD 4.43Å; D419-K422 HydrophobicContact CB-CG 4.22Å; D419-K422 PolarHBondContact O-N 3.04Å; V420-K422 PolarHBondContact O-N 3.43Å; K422-R424 PolarHBondContact O-N 3.43Å; K422-W425 PolarHBondContact O-N 2.7Å; K422-Q426 WeakPolarHBondContact O-CG 3.47Å; K422-Q426 PolarHBondContact O-N 3.05Å
423T77.6Confident85.3Confident95 Ų9553.1 Ų53.158%0.58327%0.272SS*.Hα-helixtrans-49.3-38.2-176.9-46.50000113.6Q426 Q427T423-Q426 WeakPolarHBondContact O-CB 3.41Å; T423-Q426 PolarHBondContact O-N 3.41Å; T423-Q427 WeakPolarHBondContact O-CG 3.47Å; T423-Q427 PolarHBondContact O-N 3.35Å
424R77.5Confident85.5Confident80 Ų8056.7 Ų56.730%0.30229%0.291SS..Hα-helixtrans-61.4-47.9177.8-68.4176.4162.2-167.1-11114.2E376 K422 Q426 Q427E376-R424 PolarHBondContact O-NH1 2.93Å; E376-R424 PolarHBondContact O-NH2 3.24Å; K422-R424 PolarHBondContact O-N 3.43Å; R424-Q426 VanDerWaalsContact C-N 3.3Å; R424-Q427 PolarHBondContact O-N 3.46Å
425W80.3Confident85.8Confident84 Ų8455.4 Ų55.432%0.31828%0.282SS..Hα-helixtrans-75.7-26.3179.1-67.2111.4000110.8P418 D419 K422 Q427 I428 S431P418-W425 HydrophobicContact CB-CD2 3.77Å; P418-W425 HydrophobicContact CB-CE3 3.67Å; P418-W425 HydrophobicContact CB-CG 4.32Å; P418-W425 HydrophobicContact CB-CH2 4.18Å; P418-W425 HydrophobicContact CB-CZ2 4.29Å; P418-W425 HydrophobicContact CB-CZ3 3.88Å; P418-W425 HydrophobicContact CG-CE3 4.28Å; P418-W425 HydrophobicContact CG-CH2 4.16Å; P418-W425 HydrophobicContact CG-CZ3 3.99Å; D419-W425 WeakPolarHBondContact O-CB 3.34Å; D419-W425 VanDerWaalsContact O-CD1 3.3Å; K422-W425 PolarHBondContact O-N 2.7Å; W425-Q427 PolarHBondContact O-N 2.81Å; W425-I428 HydrophobicContact CE3-CD1 4.07Å; W425-I428 HydrophobicContact CZ3-CD1 4.25Å; W425-I428 PolarHBondContact O-N 3.45Å; W425-S431 WeakPolarHBondContact O-CB 3.48Å; W425-S431 PolarHBondContact O-OG 3.12Å
426Q77.3Confident86.2Confident47 Ų4751.8 Ų51.822%0.2226%0.263CS..Hα-helixtrans-62.7-29.3172.8-67.5-177.81700113.2V420 R421 K422 T423 R424 I428V420-Q426 WeakPolarHBondContact O-CG 3.41Å; R421-Q426 PolarHBondContact O-NE2 2.89Å; K422-Q426 WeakPolarHBondContact O-CG 3.47Å; K422-Q426 PolarHBondContact O-N 3.05Å; T423-Q426 WeakPolarHBondContact O-CB 3.41Å; T423-Q426 PolarHBondContact O-N 3.41Å; R424-Q426 VanDerWaalsContact C-N 3.3Å; Q426-I428 VanDerWaalsContact C-N 3.32Å
427Q76.8Confident86.5Confident152 Ų15254.4 Ų54.471%0.7127%0.274SS*.THydrogen-bonded Turntrans-70.6-25.1177.6-70.2174.2-2.300113.1T423 R424 W425 P429T423-Q427 WeakPolarHBondContact O-CG 3.47Å; T423-Q427 PolarHBondContact O-N 3.35Å; R424-Q427 PolarHBondContact O-N 3.46Å; W425-Q427 PolarHBondContact O-N 2.81Å; Q427-P429 WeakPolarHBondContact O-CD 3.14Å
428I84.7Confident86.6Confident83 Ų8357.4 Ų57.443%0.42629%0.289SS..SBendtrans-89.5116.3-179.4-59.7173000108.8W425 Q426 A430 S431W425-I428 HydrophobicContact CE3-CD1 4.07Å; W425-I428 HydrophobicContact CZ3-CD1 4.25Å; W425-I428 PolarHBondContact O-N 3.45Å; Q426-I428 VanDerWaalsContact C-N 3.32Å; I428-A430 VanDerWaalsContact C-N 3.25Å; I428-A430 HydrophobicContact CG2-CB 4.47Å; I428-A430 PolarHBondContact O-N 2.86Å; I428-S431 WeakPolarHBondContact O-CB 3.24Å; I428-S431 PolarHBondContact O-N 2.88Å; I428-S431 VanDerWaalsContact O-N 3.14Å; I428-S431 PolarHBondContact O-OG 2.84Å
429P77.5Confident87Confident108 Ų10857.1 Ų57.170%0.70129%0.287SS*.THydrogen-bonded Turntrans-64.8-27.7-17625.3-34.1000112.9Q427 H432Q427-P429 WeakPolarHBondContact O-CD 3.14Å; P429-H432 PolarHBondContact O-CE1 3.48Å; P429-H432 PolarHBondContact O-ND1 3.03Å
430A88.3Confident87.4Confident58 Ų5857.5 Ų57.548%0.47929%0.29SS..THydrogen-bonded Turntrans-83.6-4.7179.100000114.5I428 H432 W433 L434I428-A430 VanDerWaalsContact C-N 3.25Å; I428-A430 HydrophobicContact CG2-CB 4.47Å; I428-A430 PolarHBondContact O-N 2.86Å; A430-H432 VanDerWaalsContact C-N 3.32Å; A430-H432 PolarHBondContact O-N 3.42Å; A430-W433 PolarHBondContact O-N 3.42Å; A430-L434 PolarHBondContact O-N 2.86Å; A430-L434 VanDerWaalsContact O-N 3.08Å
431S90.3Very high87.7Confident2 Ų263.5 Ų63.51%0.01432%0.316CS..Hα-helixtrans-62.7-36.2-171.563.60000113.6W425 I428 L434 S435W425-S431 WeakPolarHBondContact O-CB 3.48Å; W425-S431 PolarHBondContact O-OG 3.12Å; I428-S431 WeakPolarHBondContact O-CB 3.24Å; I428-S431 PolarHBondContact O-N 2.88Å; I428-S431 VanDerWaalsContact O-N 3.14Å; I428-S431 PolarHBondContact O-OG 2.84Å; S431-L434 PolarHBondContact O-N 3.47Å; S431-S435 VanDerWaalsContact O-CB 3.24Å; S431-S435 WeakPolarHBondContact O-CB 3.44Å; S431-S435 PolarHBondContact O-N 3.04Å
432H91.7Very high88.3Confident10 Ų1062.6 Ų62.65%0.04631%0.313CS..Hα-helixtrans-69.6-39.1-179.557.4-92.3000112.4R135 I136 V420 P429 A430 S435 F436R135-H432 HydrophobicContact CB-CB 4.12Å; R135-H432 HydrophobicContact CG-CB 3.82Å; I136-H432 HydrophobicContact CG1-CB 4.28Å; V420-H432 HydrophobicContact CG1-CB 4.12Å; P429-H432 PolarHBondContact O-CE1 3.48Å; P429-H432 PolarHBondContact O-ND1 3.03Å; A430-H432 VanDerWaalsContact C-N 3.32Å; A430-H432 PolarHBondContact O-N 3.42Å; H432-S435 PolarHBondContact O-N 3.2Å; H432-F436 VanDerWaalsContact O-CB 3.3Å; H432-F436 WeakPolarHBondContact O-CB 3.46Å; H432-F436 PolarHBondContact O-N 3.4Å
433W94.5Very high89.1Confident92 Ų9260.8 Ų60.835%0.34831%0.305SS..Hα-helixtrans-67.5-41.3173.4-67.5116.9000112.2I136 L140 F151 A430 F436 L437I136-W433 HydrophobicContact CD1-CE3 4.3Å; I136-W433 HydrophobicContact CD1-CZ3 4.09Å; I136-W433 HydrophobicContact CG2-CH2 4.24Å; L140-W433 HydrophobicContact CD1-CH2 4.01Å; L140-W433 HydrophobicContact CD1-CZ2 3.84Å; F151-W433 HydrophobicContact CD1-CH2 4.28Å; F151-W433 AromaticContact CD1-CZ3 3.94Å; F151-W433 HydrophobicContact CD1-CZ3 3.94Å; F151-W433 AromaticContact CE1-CH2 3.48Å; F151-W433 HydrophobicContact CE1-CH2 3.48Å; F151-W433 VanDerWaalsContact CE1-CH2 3.48Å; F151-W433 AromaticContact CE1-CZ3 3.45Å; F151-W433 HydrophobicContact CE1-CZ3 3.45Å; F151-W433 VanDerWaalsContact CE1-CZ3 3.45Å; F151-W433 AromaticContact CZ-CH2 3.61Å; F151-W433 HydrophobicContact CZ-CH2 3.61Å; F151-W433 HydrophobicContact CZ-CZ3 4.09Å; A430-W433 PolarHBondContact O-N 3.42Å; W433-F436 PolarHBondContact O-N 3.21Å; W433-L437 WeakPolarHBondContact O-CG 3.12Å; W433-L437 PolarHBondContact O-N 3.22Å
434L94.6Very high89.9Confident77 Ų7756.8 Ų56.840%0.40328%0.283SS..Hα-helixtrans-64.3-43.5176.1-17759.6000111.4P418 A430 S431 L437 M438P418-L434 HydrophobicContact CG-CB 4.36Å; P418-L434 HydrophobicContact CG-CD2 3.74Å; P418-L434 HydrophobicContact CG-CG 3.86Å; A430-L434 PolarHBondContact O-N 2.86Å; A430-L434 VanDerWaalsContact O-N 3.08Å; S431-L434 PolarHBondContact O-N 3.47Å; L434-L437 PolarHBondContact O-N 3.15Å; L434-M438 HydrophobicContact CD1-CE 3.94Å; L434-M438 HydrophobicContact CD1-CG 4.22Å; L434-M438 WeakPolarHBondContact O-CB 3.38Å; L434-M438 VanDerWaalsContact O-CG 3.25Å; L434-M438 WeakPolarHBondContact O-CG 3.41Å; L434-M438 PolarHBondContact O-N 3.29Å
435S94.8Very high90.6Very high0 Ų055.5 Ų55.50%028%0.281CS..Hα-helixtrans-60.1-45.7174.9-168.90000111.2P418 S431 H432 M438 C439P418-S435 VanDerWaalsContact O-CB 3.31Å; P418-S435 WeakPolarHBondContact O-CB 3.49Å; P418-S435 PolarHBondContact O-OG 3.15Å; S431-S435 VanDerWaalsContact O-CB 3.24Å; S431-S435 WeakPolarHBondContact O-CB 3.44Å; S431-S435 PolarHBondContact O-N 3.04Å; H432-S435 PolarHBondContact O-N 3.2Å; S435-M438 PolarHBondContact O-N 3.21Å; S435-C439 WeakPolarHBondContact O-CB 3.16Å; S435-C439 PolarHBondContact O-N 2.83Å; S435-C439 PolarHBondContact O-SG 3.47Å
436F96.3Very high91.3Very high17 Ų1752 Ų528%0.07527%0.268CS..Hα-helixtrans-58.8-51.4176.5178.3-101000112.4F129 L133 I136 F151 H432 W433 M438 C439 C440F129-F436 HydrophobicContact CD2-CD2 4.5Å; F129-F436 HydrophobicContact CE2-CD2 4.03Å; F129-F436 AromaticContact CE2-CE2 3.75Å; F129-F436 HydrophobicContact CE2-CE2 3.75Å; F129-F436 HydrophobicContact CZ-CE2 4.48Å; L133-F436 HydrophobicContact CD2-CD2 4.04Å; L133-F436 HydrophobicContact CD2-CE2 3.92Å; I136-F436 HydrophobicContact CD1-CB 4.08Å; I136-F436 HydrophobicContact CD1-CD2 4.19Å; I136-F436 HydrophobicContact CD1-CG 4.19Å; F151-F436 HydrophobicContact CB-CE2 4.1Å; F151-F436 HydrophobicContact CB-CZ 4.26Å; F151-F436 HydrophobicContact CD1-CZ 4.34Å; F151-F436 WeakPolarHBondContact O-CE2 3.26Å; F151-F436 WeakPolarHBondContact O-CZ 3.24Å; H432-F436 VanDerWaalsContact O-CB 3.3Å; H432-F436 WeakPolarHBondContact O-CB 3.46Å; H432-F436 PolarHBondContact O-N 3.4Å; W433-F436 PolarHBondContact O-N 3.21Å; F436-M438 PolarHBondContact O-N 3.2Å; F436-C439 WeakPolarHBondContact O-CB 3.21Å; F436-C439 PolarHBondContact O-N 3.38Å; F436-C440 PolarHBondContact O-N 3Å; F436-C440 PolarHBondContact O-SG 3.2Å
437L95.9Very high92Very high112 Ų11249.8 Ų49.859%0.58626%0.258SS*.Hα-helixtrans-62.4-41.2179.3-69.5174.7000112.3W433 L434 C440 F441W433-L437 WeakPolarHBondContact O-CG 3.12Å; W433-L437 PolarHBondContact O-N 3.22Å; L434-L437 PolarHBondContact O-N 3.15Å; L437-C440 PolarHBondContact O-N 3.31Å; L437-F441 PolarHBondContact O-N 3.27Å
438M95.4Very high92.7Very high68 Ų6845 Ų4534%0.33524%0.239SC..Hα-helixtrans-67.9-35.3176-69-64.7177.500112.1I417 L434 S435 F436 F441 W442I417-M438 HydrophobicContact CG1-CB 4.06Å; I417-M438 HydrophobicContact CG2-CB 4.39Å; L434-M438 HydrophobicContact CD1-CE 3.94Å; L434-M438 HydrophobicContact CD1-CG 4.22Å; L434-M438 WeakPolarHBondContact O-CB 3.38Å; L434-M438 VanDerWaalsContact O-CG 3.25Å; L434-M438 WeakPolarHBondContact O-CG 3.41Å; L434-M438 PolarHBondContact O-N 3.29Å; S435-M438 PolarHBondContact O-N 3.21Å; F436-M438 PolarHBondContact O-N 3.2Å; M438-F441 PolarHBondContact O-N 3.44Å; M438-W442 VanDerWaalsContact O-CD1 3.3Å; M438-W442 PolarHBondContact O-N 2.9Å
439C96.9Very high93.1Very high0 Ų043.4 Ų43.40%023%0.231CC..Hα-helixtrans-62.6-48.7171.6-70.40000111Y128 F129 S435 F436 F441 W442 I443Y128-C439 VanDerWaalsContact CB-SG 3.58Å; F129-C439 HydrophobicContact CB-CB 4.22Å; F129-C439 HydrophobicContact CD2-CB 3.75Å; F129-C439 HydrophobicContact CG-CB 4.42Å; S435-C439 WeakPolarHBondContact O-CB 3.16Å; S435-C439 PolarHBondContact O-N 2.83Å; S435-C439 PolarHBondContact O-SG 3.47Å; F436-C439 WeakPolarHBondContact O-CB 3.21Å; F436-C439 PolarHBondContact O-N 3.38Å; C439-F441 VanDerWaalsContact C-N 3.27Å; C439-F441 PolarHBondContact O-N 2.69Å; C439-W442 PolarHBondContact O-N 2.93Å; C439-I443 WeakPolarHBondContact O-CB 3.23Å; C439-I443 VanDerWaalsContact O-CG1 3.22Å; C439-I443 WeakPolarHBondContact O-CG1 3.49Å; C439-I443 PolarHBondContact O-N 3.5Å
440C95.7Very high93.8Very high20 Ų2038.4 Ų38.414%0.13520%0.198CC..Hα-helixtrans-55.6-44.1177.4-610000111.3G155 A158 F436 L437 G444G155-C440 WeakPolarHBondContact CA-SG 3.47Å; A158-C440 HydrophobicContact CB-CB 4.28Å; F436-C440 PolarHBondContact O-N 3Å; F436-C440 PolarHBondContact O-SG 3.2Å; L437-C440 PolarHBondContact O-N 3.31Å; C440-G444 PolarHBondContact O-N 3.03Å
441F94.7Very high93.9Very high127 Ų12735.7 Ų35.756%0.55718%0.176SC*.Hα-helixtrans-60.9-49.2177.2179.9-105.2000112.5L437 M438 C439 G444 I445L437-F441 PolarHBondContact O-N 3.27Å; M438-F441 PolarHBondContact O-N 3.44Å; C439-F441 VanDerWaalsContact C-N 3.27Å; C439-F441 PolarHBondContact O-N 2.69Å; F441-G444 PolarHBondContact O-N 3.31Å; F441-I445 HydrophobicContact CD1-CD1 3.86Å; F441-I445 HydrophobicContact CE1-CD1 3.28Å; F441-I445 HydrophobicContact CE1-CG1 4.42Å; F441-I445 HydrophobicContact CE2-CD1 4.16Å; F441-I445 HydrophobicContact CZ-CD1 3.47Å; F441-I445 VanDerWaalsContact CZ-CD1 3.47Å; F441-I445 HydrophobicContact CZ-CG1 4.42Å; F441-I445 WeakPolarHBondContact O-CG1 3.26Å; F441-I445 PolarHBondContact O-N 3.13Å
442W95.4Very high93.9Very high45 Ų4538.2 Ų38.217%0.1719%0.185CC..Hα-helixtrans-71.5-33.6179.1-80.8111.3000113.7L124 A412 L413 T416 I417 M438 C439 G444 I445 F446L124-W442 HydrophobicContact CD1-CB 4.41Å; L124-W442 HydrophobicContact CD2-CB 3.55Å; A412-W442 HydrophobicContact CB-CH2 4.36Å; A412-W442 HydrophobicContact CB-CZ2 4.49Å; L413-W442 HydrophobicContact CD2-CB 4.24Å; L413-W442 HydrophobicContact CD2-CD2 4Å; L413-W442 HydrophobicContact CD2-CE3 4.5Å; L413-W442 HydrophobicContact CD2-CG 3.88Å; T416-W442 HydrophobicContact CG2-CZ2 4.13Å; T416-W442 PolarHBondContact OG1-NE1 2.87Å; I417-W442 HydrophobicContact CD1-CG 4.38Å; M438-W442 VanDerWaalsContact O-CD1 3.3Å; M438-W442 PolarHBondContact O-N 2.9Å; C439-W442 PolarHBondContact O-N 2.93Å; W442-G444 VanDerWaalsContact C-N 3.3Å; W442-I445 HydrophobicContact CE3-CB 4.28Å; W442-I445 HydrophobicContact CE3-CD1 4.23Å; W442-I445 HydrophobicContact CE3-CG2 4.2Å; W442-I445 HydrophobicContact CZ3-CD1 4.38Å; W442-I445 HydrophobicContact CZ3-CG2 4.21Å; W442-I445 PolarHBondContact O-N 3.36Å; W442-F446 HydrophobicContact CD2-CZ 4.47Å; W442-F446 HydrophobicContact CE3-CD1 4.26Å; W442-F446 AromaticContact CE3-CE1 3.57Å; W442-F446 HydrophobicContact CE3-CE1 3.57Å; W442-F446 AromaticContact CE3-CZ 3.74Å; W442-F446 HydrophobicContact CE3-CZ 3.74Å; W442-F446 AromaticContact CZ3-CE1 3.82Å; W442-F446 HydrophobicContact CZ3-CE1 3.82Å; W442-F446 HydrophobicContact CZ3-CZ 4.23Å; W442-F446 WeakPolarHBondContact O-CB 3.37Å; W442-F446 WeakPolarHBondContact O-CG 3.43Å; W442-F446 PolarHBondContact O-N 3.39Å
443I95.7Very high94Very high0 Ų038.3 Ų38.30%019%0.186CC..Hα-helixtrans-57.5-48.6170.5-72.8170.3000108.7L121 L124 F129 C439 I445 F446 T447 P480L121-I443 HydrophobicContact CD1-CB 4.27Å; L121-I443 HydrophobicContact CD1-CG1 3.91Å; L121-I443 HydrophobicContact CD1-CG2 4.1Å; L124-I443 HydrophobicContact CD2-CB 4.41Å; L124-I443 HydrophobicContact CD2-CG1 3.6Å; L124-I443 HydrophobicContact CG-CG1 4.29Å; F129-I443 HydrophobicContact CD1-CD1 4.13Å; F129-I443 HydrophobicContact CD2-CD1 3.91Å; F129-I443 HydrophobicContact CE1-CD1 4.28Å; F129-I443 HydrophobicContact CE2-CD1 4.06Å; F129-I443 HydrophobicContact CG-CD1 3.93Å; F129-I443 HydrophobicContact CZ-CD1 4.24Å; C439-I443 WeakPolarHBondContact O-CB 3.23Å; C439-I443 VanDerWaalsContact O-CG1 3.22Å; C439-I443 WeakPolarHBondContact O-CG1 3.49Å; C439-I443 PolarHBondContact O-N 3.5Å; I443-I445 PolarHBondContact O-N 2.83Å; I443-F446 PolarHBondContact O-N 3.45Å; I443-T447 HydrophobicContact CG2-CG2 4.43Å; I443-T447 WeakPolarHBondContact O-CB 3.2Å; I443-T447 WeakPolarHBondContact O-CG2 3.38Å; I443-T447 PolarHBondContact O-N 2.8Å; I443-T447 PolarHBondContact O-OG1 2.77Å; I443-P480 HydrophobicContact CG2-CB 3.8Å; I443-P480 HydrophobicContact CG2-CG 3.72Å
444G93.5Very high93.8Very high11 Ų1135.5 Ų35.511%0.11318%0.177CC..Hα-helixtrans-60.2-43.3175.900000113.3C440 F441 W442 T447 V448C440-G444 PolarHBondContact O-N 3.03Å; F441-G444 PolarHBondContact O-N 3.31Å; W442-G444 VanDerWaalsContact C-N 3.3Å; G444-T447 WeakPolarHBondContact CA-OG1 3.16Å; G444-T447 PolarHBondContact O-OG1 3.19Å; G444-V448 WeakPolarHBondContact O-CB 3.39Å; G444-V448 WeakPolarHBondContact O-CG2 3.17Å; G444-V448 PolarHBondContact O-N 3.2Å
445I92.9Very high93.6Very high53 Ų5331.8 Ų31.827%0.27216%0.158SC..Hα-helixtrans-63.7-50.7177.6-72.2176000111.7F441 W442 I443 T447 V448 I449F441-I445 HydrophobicContact CD1-CD1 3.86Å; F441-I445 HydrophobicContact CE1-CD1 3.28Å; F441-I445 HydrophobicContact CE1-CG1 4.42Å; F441-I445 HydrophobicContact CE2-CD1 4.16Å; F441-I445 HydrophobicContact CZ-CD1 3.47Å; F441-I445 VanDerWaalsContact CZ-CD1 3.47Å; F441-I445 HydrophobicContact CZ-CG1 4.42Å; F441-I445 WeakPolarHBondContact O-CG1 3.26Å; F441-I445 PolarHBondContact O-N 3.13Å; W442-I445 HydrophobicContact CE3-CB 4.28Å; W442-I445 HydrophobicContact CE3-CD1 4.23Å; W442-I445 HydrophobicContact CE3-CG2 4.2Å; W442-I445 HydrophobicContact CZ3-CD1 4.38Å; W442-I445 HydrophobicContact CZ3-CG2 4.21Å; W442-I445 PolarHBondContact O-N 3.36Å; I443-I445 PolarHBondContact O-N 2.83Å; I445-T447 VanDerWaalsContact C-N 3.31Å; I445-T447 PolarHBondContact O-N 3.16Å; I445-V448 PolarHBondContact O-N 2.92Å; I445-I449 HydrophobicContact CG2-CD1 3.79Å; I445-I449 WeakPolarHBondContact O-CG1 3.38Å; I445-I449 PolarHBondContact O-N 2.85Å
446F94.4Very high93.4Very high10 Ų1031.8 Ų31.84%0.04416%0.158CC..Hα-helixtrans-63.8-39.6-176.1-69-21.3000111.9M117 L121 L124 L409 L413 W442 I443 M450M117-F446 HydrophobicContact SD-CD1 3.98Å; L121-F446 HydrophobicContact CB-CB 4.48Å; L121-F446 HydrophobicContact CB-CD2 4.47Å; L124-F446 HydrophobicContact CB-CE2 4.21Å; L124-F446 HydrophobicContact CD2-CD2 3.93Å; L124-F446 HydrophobicContact CD2-CE2 3.93Å; L409-F446 HydrophobicContact CD1-CD1 4.47Å; L409-F446 HydrophobicContact CD1-CE1 3.61Å; L409-F446 HydrophobicContact CD1-CE2 3.99Å; L409-F446 HydrophobicContact CD1-CZ 3.33Å; L409-F446 HydrophobicContact CG-CZ 3.98Å; L413-F446 HydrophobicContact CD1-CE2 4.27Å; L413-F446 HydrophobicContact CD1-CZ 4.45Å; L413-F446 HydrophobicContact CD2-CE2 4Å; L413-F446 HydrophobicContact CD2-CZ 3.86Å; L413-F446 HydrophobicContact CG-CZ 4.35Å; W442-F446 HydrophobicContact CD2-CZ 4.47Å; W442-F446 HydrophobicContact CE3-CD1 4.26Å; W442-F446 AromaticContact CE3-CE1 3.57Å; W442-F446 HydrophobicContact CE3-CE1 3.57Å; W442-F446 AromaticContact CE3-CZ 3.74Å; W442-F446 HydrophobicContact CE3-CZ 3.74Å; W442-F446 AromaticContact CZ3-CE1 3.82Å; W442-F446 HydrophobicContact CZ3-CE1 3.82Å; W442-F446 HydrophobicContact CZ3-CZ 4.23Å; W442-F446 WeakPolarHBondContact O-CB 3.37Å; W442-F446 WeakPolarHBondContact O-CG 3.43Å; W442-F446 PolarHBondContact O-N 3.39Å; I443-F446 PolarHBondContact O-N 3.45Å; F446-M450 WeakPolarHBondContact O-CB 3.44Å; F446-M450 PolarHBondContact O-N 3.48Å
447T93Very high93.2Very high0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-70-43.5178.448.80000112.1L121 P159 I443 G444 I445 I449 M450 M451 P480L121-T447 HydrophobicContact CD2-CG2 3.91Å; P159-T447 WeakPolarHBondContact CB-OG1 3.09Å; P159-T447 HydrophobicContact CG-CG2 4Å; P159-T447 WeakPolarHBondContact CG-OG1 3.45Å; I443-T447 HydrophobicContact CG2-CG2 4.43Å; I443-T447 WeakPolarHBondContact O-CB 3.2Å; I443-T447 WeakPolarHBondContact O-CG2 3.38Å; I443-T447 PolarHBondContact O-N 2.8Å; I443-T447 PolarHBondContact O-OG1 2.77Å; G444-T447 WeakPolarHBondContact CA-OG1 3.16Å; G444-T447 PolarHBondContact O-OG1 3.19Å; I445-T447 VanDerWaalsContact C-N 3.31Å; I445-T447 PolarHBondContact O-N 3.16Å; T447-I449 PolarHBondContact O-N 3.14Å; T447-M450 PolarHBondContact O-N 2.76Å; T447-M451 WeakPolarHBondContact O-CB 3.21Å; T447-M451 VanDerWaalsContact O-CG 3.26Å; T447-M451 WeakPolarHBondContact O-CG 3.34Å; T447-M451 PolarHBondContact O-N 2.9Å; T447-P480 HydrophobicContact CG2-CG 3.31Å
448V90.3Very high92.9Very high51 Ų5127.1 Ų27.131%0.30913%0.134SC..Hα-helixtrans-59.6-46.1175.8168.10000111.2F92 G444 I445 M451 W452F92-V448 HydrophobicContact CE1-CG1 4.46Å; G444-V448 WeakPolarHBondContact O-CB 3.39Å; G444-V448 WeakPolarHBondContact O-CG2 3.17Å; G444-V448 PolarHBondContact O-N 3.2Å; I445-V448 PolarHBondContact O-N 2.92Å; V448-M451 HydrophobicContact CG2-CE 4.24Å; V448-M451 PolarHBondContact O-N 3.44Å; V448-W452 WeakPolarHBondContact O-CB 3.22Å; V448-W452 PolarHBondContact O-N 2.97Å
449I92.5Very high92.5Very high51 Ų5124.4 Ų24.426%0.26212%0.121SC..Hα-helixtrans-65.5-42.2177.4-61.7168.8000110.6V113 M117 I445 T447 W452 M453V113-I449 HydrophobicContact CG1-CG2 4.19Å; M117-I449 HydrophobicContact CE-CD1 4.34Å; M117-I449 HydrophobicContact CE-CG2 3.95Å; M117-I449 HydrophobicContact CG-CB 4.2Å; M117-I449 HydrophobicContact CG-CG2 3.87Å; M117-I449 HydrophobicContact SD-CG2 4.35Å; I445-I449 HydrophobicContact CG2-CD1 3.79Å; I445-I449 WeakPolarHBondContact O-CG1 3.38Å; I445-I449 PolarHBondContact O-N 2.85Å; T447-I449 PolarHBondContact O-N 3.14Å; I449-W452 PolarHBondContact O-N 2.98Å; I449-M453 HydrophobicContact CG2-CG 4.49Å; I449-M453 VanDerWaalsContact O-CG 3.32Å; I449-M453 WeakPolarHBondContact O-CG 3.37Å; I449-M453 PolarHBondContact O-N 2.99Å
450M93.8Very high92.1Very high3 Ų325 Ų252%0.01513%0.125CC..Hα-helixtrans-61.2-47.4177.8-176.9-172.566.800111.8M117 F118 F446 T447 M453 I454 G476 V479M117-M450 HydrophobicContact CB-CB 3.93Å; F118-M450 HydrophobicContact CB-SD 4.13Å; F118-M450 HydrophobicContact CD2-SD 4.21Å; F446-M450 WeakPolarHBondContact O-CB 3.44Å; F446-M450 PolarHBondContact O-N 3.48Å; T447-M450 PolarHBondContact O-N 2.76Å; M450-M453 PolarHBondContact O-N 3.1Å; M450-I454 HydrophobicContact CG-CD1 3.78Å; M450-I454 WeakPolarHBondContact O-CB 3.45Å; M450-I454 WeakPolarHBondContact O-CD1 3.11Å; M450-I454 VanDerWaalsContact O-CG1 3.23Å; M450-I454 WeakPolarHBondContact O-CG1 3.15Å; M450-I454 PolarHBondContact O-N 3.31Å; M450-I454 HydrophobicContact SD-CD1 4.49Å; M450-G476 WeakPolarHBondContact CE-O 3.3Å; M450-V479 HydrophobicContact CE-CB 3.85Å; M450-V479 HydrophobicContact CE-CG1 4.34Å; M450-V479 HydrophobicContact CE-CG2 3.61Å; M450-V479 HydrophobicContact SD-CG1 4.5Å; M450-V479 HydrophobicContact SD-CG2 4.31Å
451M89.9Confident91.8Very high1 Ų129.3 Ų29.31%0.00515%0.146CC..Hα-helixtrans-63.5-39.6177.5-72.6-173.3-65.700111.9F92 P159 T163 T447 V448 I454 T455 I473F92-M451 HydrophobicContact CE1-CB 4.33Å; F92-M451 HydrophobicContact CZ-CB 3.94Å; P159-M451 HydrophobicContact CB-CE 4.2Å; T163-M451 HydrophobicContact CG2-CE 4.1Å; T447-M451 WeakPolarHBondContact O-CB 3.21Å; T447-M451 VanDerWaalsContact O-CG 3.26Å; T447-M451 WeakPolarHBondContact O-CG 3.34Å; T447-M451 PolarHBondContact O-N 2.9Å; V448-M451 HydrophobicContact CG2-CE 4.24Å; V448-M451 PolarHBondContact O-N 3.44Å; M451-I454 PolarHBondContact O-N 3.34Å; M451-T455 WeakPolarHBondContact O-CB 3.45Å; M451-T455 PolarHBondContact O-N 3.24Å; M451-T455 PolarHBondContact O-OG1 3.03Å; M451-I473 HydrophobicContact SD-CG2 4.24Å
452W89.7Confident91.5Very high54 Ų5428.7 Ų28.721%0.20515%0.145CC..Hα-helixtrans-58.3-51.5173.7179.125.1000111.2F92 P93 V448 I449 I454 T455 V456F92-W452 HydrophobicContact CB-CB 4.26Å; F92-W452 HydrophobicContact CB-CD2 4.47Å; F92-W452 HydrophobicContact CB-CG 3.76Å; F92-W452 HydrophobicContact CD1-CB 3.56Å; F92-W452 AromaticContact CD1-CG 3.99Å; F92-W452 HydrophobicContact CD1-CG 3.99Å; F92-W452 HydrophobicContact CE1-CB 3.99Å; F92-W452 HydrophobicContact CG-CB 3.9Å; F92-W452 AromaticContact CG-CD1 3.66Å; F92-W452 AromaticContact CG-CG 3.94Å; F92-W452 HydrophobicContact CG-CG 3.94Å; P93-W452 HydrophobicContact CB-CH2 4.14Å; P93-W452 HydrophobicContact CB-CZ2 3.92Å; P93-W452 VanDerWaalsContact O-CE2 3.26Å; P93-W452 VanDerWaalsContact O-CZ2 3.23Å; P93-W452 WeakPolarHBondContact O-CZ2 3.38Å; P93-W452 PolarHBondContact O-NE1 3.01Å; V448-W452 WeakPolarHBondContact O-CB 3.22Å; V448-W452 PolarHBondContact O-N 2.97Å; I449-W452 PolarHBondContact O-N 2.98Å; W452-I454 VanDerWaalsContact C-N 3.33Å; W452-I454 PolarHBondContact O-N 3.1Å; W452-T455 WeakPolarHBondContact O-CB 3.48Å; W452-T455 PolarHBondContact O-N 3.46Å; W452-T455 VanDerWaalsContact O-N 3.13Å; W452-V456 WeakPolarHBondContact O-CG2 3.49Å; W452-V456 PolarHBondContact O-N 3.42Å
453M93.2Very high91Very high13 Ų1328.5 Ų28.56%0.06415%0.146CC..Hα-helixtrans-62.1-40.5178.7-64.3-59.8103.200112.2H110 V113 I449 M450 T455 V456 I457H110-M453 HydrophobicContact CB-SD 4.25Å; H110-M453 VanDerWaalsContact CD2-SD 3.53Å; V113-M453 HydrophobicContact CB-CG 3.94Å; V113-M453 HydrophobicContact CB-SD 4.04Å; V113-M453 HydrophobicContact CG1-CG 3.63Å; V113-M453 HydrophobicContact CG1-SD 3.94Å; I449-M453 HydrophobicContact CG2-CG 4.49Å; I449-M453 VanDerWaalsContact O-CG 3.32Å; I449-M453 WeakPolarHBondContact O-CG 3.37Å; I449-M453 PolarHBondContact O-N 2.99Å; M450-M453 PolarHBondContact O-N 3.1Å; M453-T455 VanDerWaalsContact C-N 3.3Å; M453-T455 PolarHBondContact O-N 2.84Å; M453-V456 PolarHBondContact O-N 3.19Å; M453-I457 WeakPolarHBondContact O-CD1 3.36Å; M453-I457 VanDerWaalsContact O-CG1 3.25Å; M453-I457 WeakPolarHBondContact O-CG1 3.45Å; M453-I457 PolarHBondContact O-N 2.89Å
454I92.2Very high90.3Very high32 Ų3231.5 Ų31.516%0.16417%0.166CC..Hα-helixtrans-60.6-41.9175.7-72.2165.8000110.3S114 M450 M451 W452 I457 G458 M468 F472S114-I454 WeakPolarHBondContact OG-CG1 3.29Å; M450-I454 HydrophobicContact CG-CD1 3.78Å; M450-I454 WeakPolarHBondContact O-CB 3.45Å; M450-I454 WeakPolarHBondContact O-CD1 3.11Å; M450-I454 VanDerWaalsContact O-CG1 3.23Å; M450-I454 WeakPolarHBondContact O-CG1 3.15Å; M450-I454 PolarHBondContact O-N 3.31Å; M450-I454 HydrophobicContact SD-CD1 4.49Å; M451-I454 PolarHBondContact O-N 3.34Å; W452-I454 VanDerWaalsContact C-N 3.33Å; W452-I454 PolarHBondContact O-N 3.1Å; I454-I457 WeakPolarHBondContact O-CB 3.45Å; I454-I457 PolarHBondContact O-N 3.49Å; I454-G458 PolarHBondContact O-N 3.29Å; I454-M468 HydrophobicContact CB-CE 4.42Å; I454-M468 HydrophobicContact CG2-CE 3.45Å; I454-M468 VanDerWaalsContact CG2-CE 3.45Å; I454-M468 WeakPolarHBondContact O-CE 3.28Å; I454-F472 HydrophobicContact CG2-CB 3.78Å; I454-F472 HydrophobicContact CG2-CD1 4.42Å; I454-F472 HydrophobicContact CG2-CG 4.47Å
455T88.9Confident89.5Confident0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-64.2-42.2177.6-53.70000112.7A88 I89 F92 M451 W452 M453 I457 G458 V459A88-T455 HydrophobicContact CB-CG2 4.13Å; I89-T455 HydrophobicContact CB-CG2 4.05Å; F92-T455 HydrophobicContact CD2-CG2 4.3Å; F92-T455 HydrophobicContact CE2-CG2 4.35Å; F92-T455 WeakPolarHBondContact CE2-OG1 3.22Å; M451-T455 WeakPolarHBondContact O-CB 3.45Å; M451-T455 PolarHBondContact O-N 3.24Å; M451-T455 PolarHBondContact O-OG1 3.03Å; W452-T455 WeakPolarHBondContact O-CB 3.48Å; W452-T455 PolarHBondContact O-N 3.46Å; W452-T455 VanDerWaalsContact O-N 3.13Å; M453-T455 VanDerWaalsContact C-N 3.3Å; M453-T455 PolarHBondContact O-N 2.84Å; T455-I457 VanDerWaalsContact C-N 3.32Å; T455-I457 PolarHBondContact O-N 3.47Å; T455-G458 PolarHBondContact O-N 3.09Å; T455-V459 PolarHBondContact O-N 3.16Å
456V90.8Very high88.6Confident0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-62.6-39.9174.61780000111.6I89 D95 H110 W452 M453 T460I89-V456 HydrophobicContact CD1-CG2 4.21Å; D95-V456 HydrophobicContact CB-CG2 4.36Å; H110-V456 VanDerWaalsContact CD2-CG1 3.44Å; H110-V456 WeakPolarHBondContact CD2-CG1 3.36Å; H110-V456 WeakPolarHBondContact NE2-CG1 3.38Å; W452-V456 WeakPolarHBondContact O-CG2 3.49Å; W452-V456 PolarHBondContact O-N 3.42Å; M453-V456 PolarHBondContact O-N 3.19Å; V456-T460 WeakPolarHBondContact O-CB 3.39Å; V456-T460 PolarHBondContact O-N 3.11Å; V456-T460 PolarHBondContact O-OG1 3.21Å
457I91.6Very high87.8Confident29 Ų2931.5 Ų31.515%0.14917%0.166CC..Hα-helixtrans-62.9-44.7173.9-64.7161.8000110.4V107 H110 L111 M453 I454 T455 V459 T460 L461V107-I457 HydrophobicContact CG2-CB 4.39Å; V107-I457 HydrophobicContact CG2-CG1 3.95Å; V107-I457 HydrophobicContact CG2-CG2 4.39Å; H110-I457 HydrophobicContact CB-CD1 4.21Å; H110-I457 HydrophobicContact CB-CG1 3.87Å; L111-I457 HydrophobicContact CB-CD1 4.28Å; L111-I457 HydrophobicContact CD1-CD1 4.37Å; M453-I457 WeakPolarHBondContact O-CD1 3.36Å; M453-I457 VanDerWaalsContact O-CG1 3.25Å; M453-I457 WeakPolarHBondContact O-CG1 3.45Å; M453-I457 PolarHBondContact O-N 2.89Å; I454-I457 WeakPolarHBondContact O-CB 3.45Å; I454-I457 PolarHBondContact O-N 3.49Å; T455-I457 VanDerWaalsContact C-N 3.32Å; T455-I457 PolarHBondContact O-N 3.47Å; I457-V459 PolarHBondContact O-N 3.44Å; I457-T460 WeakPolarHBondContact O-CB 3.26Å; I457-T460 PolarHBondContact O-N 3.41Å; I457-L461 HydrophobicContact CG2-CD1 3.86Å; I457-L461 HydrophobicContact CG2-CG 4.34Å; I457-L461 WeakPolarHBondContact O-CG 3.23Å; I457-L461 PolarHBondContact O-N 3.42Å
458G90.2Very high87.3Confident2 Ų231.6 Ų31.62%0.02117%0.167CC..Hα-helixtrans-56-51179.300000113.2I454 T455 T460 L461 H462 I463I454-G458 PolarHBondContact O-N 3.29Å; T455-G458 PolarHBondContact O-N 3.09Å; G458-T460 VanDerWaalsContact C-N 3.32Å; G458-T460 PolarHBondContact O-N 2.99Å; G458-L461 CarbonylContact O-C 3.44Å; G458-L461 PolarHBondContact O-N 3.48Å; G458-H462 PolarHBondContact O-N 3.05Å; G458-I463 PolarHBondContact O-N 3.31Å
459V87.3Confident86.5Confident11 Ų1130.2 Ų30.27%0.06716%0.163CC..Hα-helixtrans-63.6-37.6176.5171.70000111.9I89 Q99 T455 I457 L461 H462 L597I89-V459 HydrophobicContact CB-CG2 3.99Å; I89-V459 HydrophobicContact CD1-CB 4.19Å; I89-V459 HydrophobicContact CD1-CG1 4.3Å; I89-V459 HydrophobicContact CD1-CG2 4.02Å; I89-V459 HydrophobicContact CG2-CG2 4.26Å; Q99-V459 PolarHBondContact NE2-O 3.34Å; T455-V459 PolarHBondContact O-N 3.16Å; I457-V459 PolarHBondContact O-N 3.44Å; V459-L461 VanDerWaalsContact C-N 3.29Å; V459-L461 PolarHBondContact O-N 2.89Å; V459-H462 PolarHBondContact O-N 2.97Å; V459-L597 HydrophobicContact CG1-CD1 3.4Å
460T89.4Confident85.7Confident11 Ų1129.2 Ų29.27%0.06716%0.158CC..Hα-helixtrans-64.8-35.9177-55.10000111.7R102 Q103 V107 V456 I457 G458 H462R102-T460 HydrophobicContact CB-CG2 3.79Å; R102-T460 VanDerWaalsContact CD-OG1 3.29Å; R102-T460 WeakPolarHBondContact CD-OG1 3.41Å; R102-T460 PolarHBondContact NE-OG1 2.92Å; Q103-T460 HydrophobicContact CG-CG2 4.16Å; V107-T460 HydrophobicContact CB-CG2 4.1Å; V107-T460 HydrophobicContact CG2-CG2 4.02Å; V456-T460 WeakPolarHBondContact O-CB 3.39Å; V456-T460 PolarHBondContact O-N 3.11Å; V456-T460 PolarHBondContact O-OG1 3.21Å; I457-T460 WeakPolarHBondContact O-CB 3.26Å; I457-T460 PolarHBondContact O-N 3.41Å; G458-T460 VanDerWaalsContact C-N 3.32Å; G458-T460 PolarHBondContact O-N 2.99Å; T460-H462 VanDerWaalsContact C-N 3.27Å; T460-H462 PolarHBondContact O-N 2.9Å; T460-H462 PolarHBondContact O-ND1 3.11Å
461L89.3Confident85.1Confident112 Ų11229.9 Ų29.959%0.58616%0.162SC*.THydrogen-bonded Turntrans-83.32.6177.5-65.1178000113.7I457 G458 V459 I463I457-L461 HydrophobicContact CG2-CD1 3.86Å; I457-L461 HydrophobicContact CG2-CG 4.34Å; I457-L461 WeakPolarHBondContact O-CG 3.23Å; I457-L461 PolarHBondContact O-N 3.42Å; G458-L461 CarbonylContact O-C 3.44Å; G458-L461 PolarHBondContact O-N 3.48Å; V459-L461 VanDerWaalsContact C-N 3.29Å; V459-L461 PolarHBondContact O-N 2.89Å; L461-I463 HydrophobicContact CB-CD1 4.11Å; L461-I463 HydrophobicContact CB-CG1 4.09Å; L461-I463 HydrophobicContact CD1-CD1 4.25Å; L461-I463 PolarHBondContact O-N 3.11Å
462H87Confident84.9Confident114 Ų11434.2 Ų34.253%0.52818%0.181SC..THydrogen-bonded Turntrans5339.3-174.1-59.983000112.8Q103 G458 V459 T460Q103-H462 PolarHBondContact NE2-CE1 3.02Å; G458-H462 PolarHBondContact O-N 3.05Å; V459-H462 PolarHBondContact O-N 2.97Å; T460-H462 VanDerWaalsContact C-N 3.27Å; T460-H462 PolarHBondContact O-N 2.9Å; T460-H462 PolarHBondContact O-ND1 3.11Å
463I84.9Confident84.6Confident40 Ų4032.7 Ų32.721%0.20518%0.177CC..  trans-73.1129.3169.4-66.3168.2000107.3G458 L461 V467 M468 F472G458-I463 PolarHBondContact O-N 3.31Å; L461-I463 HydrophobicContact CB-CD1 4.11Å; L461-I463 HydrophobicContact CB-CG1 4.09Å; L461-I463 HydrophobicContact CD1-CD1 4.25Å; L461-I463 PolarHBondContact O-N 3.11Å; I463-V467 HydrophobicContact CG2-CB 4.14Å; I463-V467 HydrophobicContact CG2-CG1 4.11Å; I463-M468 HydrophobicContact CG2-CB 4.41Å; I463-F472 HydrophobicContact CD1-CD2 4.48Å; I463-F472 HydrophobicContact CD1-CE2 3.79Å; I463-F472 HydrophobicContact CD1-CZ 4.13Å; I463-F472 HydrophobicContact CG2-CD2 4.49Å; I463-F472 HydrophobicContact CG2-CE2 4.29Å
464P82.2Confident84.2Confident63 Ų6332.1 Ų32.141%0.40917%0.174SC..  trans-55.8139.9176.7-24.433.5000111.9T466 V467 M468 L584P464-T466 PolarHBondContact O-N 3.37Å; P464-V467 HydrophobicContact CB-CG2 4.36Å; P464-V467 PolarHBondContact O-N 3.19Å; P464-V467 VanDerWaalsContact O-N 3.12Å; P464-M468 PolarHBondContact O-N 3.04Å; P464-L584 HydrophobicContact CB-CD2 4.24Å; P464-L584 HydrophobicContact CG-CD2 4.27Å
465D75.9Confident84Confident23 Ų2332.1 Ų32.112%0.12318%0.179CC..Hα-helixtrans-60.7-32.2-175.7-59.5-68.3000113.3L87 A88 M468 G469 S594L87-D465 WeakPolarHBondContact CD2-OD2 3.27Å; A88-D465 PolarHBondContact N-OD1 2.92Å; D465-M468 WeakPolarHBondContact O-CB 3.17Å; D465-M468 PolarHBondContact O-N 3.46Å; D465-G469 PolarHBondContact O-N 3.43Å; D465-S594 WeakPolarHBondContact OD2-CB 3.48Å; D465-S594 PolarHBondContact OD2-OG 3.23Å
466T73.2Confident84.1Confident23 Ų2332.2 Ų32.214%0.14118%0.18CC..Hα-helixtrans-61.6-47.5176.755.10000111.1P464 M468 G469 L470P464-T466 PolarHBondContact O-N 3.37Å; T466-M468 VanDerWaalsContact C-N 3.34Å; T466-G469 PolarHBondContact O-N 2.78Å; T466-L470 WeakPolarHBondContact O-CB 3.31Å; T466-L470 WeakPolarHBondContact O-CG 3.37Å; T466-L470 PolarHBondContact O-N 3.44Å
467V78.4Confident84Confident29 Ų2932.5 Ų32.518%0.17618%0.182CC..Hα-helixtrans-65.9-39.5174-179.60000110.2I463 P464 T471 L584I463-V467 HydrophobicContact CG2-CB 4.14Å; I463-V467 HydrophobicContact CG2-CG1 4.11Å; P464-V467 HydrophobicContact CB-CG2 4.36Å; P464-V467 PolarHBondContact O-N 3.19Å; P464-V467 VanDerWaalsContact O-N 3.12Å; V467-T471 HydrophobicContact CG1-CG2 3.99Å; V467-T471 WeakPolarHBondContact O-CA 3.41Å; V467-T471 VanDerWaalsContact O-CB 3.25Å; V467-T471 WeakPolarHBondContact O-CB 3.46Å; V467-T471 WeakPolarHBondContact O-CG2 3.1Å; V467-T471 PolarHBondContact O-N 3.43Å; V467-T471 PolarHBondContact O-OG1 3.13Å; V467-L584 HydrophobicContact CG2-CD1 4.46Å; V467-L584 HydrophobicContact CG2-CD2 4.37Å; V467-L584 HydrophobicContact CG2-CG 4.47Å
468M81.7Confident84Confident1 Ų131.3 Ų31.31%0.00518%0.176CC..Iπ-helixtrans-59-49.8177.6-173.263.8-150.200111.9I454 I463 P464 D465 T466 F472 I473I454-M468 HydrophobicContact CB-CE 4.42Å; I454-M468 HydrophobicContact CG2-CE 3.45Å; I454-M468 VanDerWaalsContact CG2-CE 3.45Å; I454-M468 WeakPolarHBondContact O-CE 3.28Å; I463-M468 HydrophobicContact CG2-CB 4.41Å; P464-M468 PolarHBondContact O-N 3.04Å; D465-M468 WeakPolarHBondContact O-CB 3.17Å; D465-M468 PolarHBondContact O-N 3.46Å; T466-M468 VanDerWaalsContact C-N 3.34Å; M468-F472 HydrophobicContact CE-CB 3.46Å; M468-F472 VanDerWaalsContact CE-CB 3.46Å; M468-F472 HydrophobicContact CE-CG 4.36Å; M468-F472 PolarHBondContact O-N 3.1Å; M468-F472 HydrophobicContact SD-CB 3.66Å; M468-F472 HydrophobicContact SD-CD2 3.98Å; M468-F472 HydrophobicContact SD-CG 4.07Å; M468-I473 HydrophobicContact CE-CD1 4.43Å; M468-I473 HydrophobicContact CE-CG1 3.79Å; M468-I473 HydrophobicContact CG-CD1 4.28Å; M468-I473 HydrophobicContact CG-CG1 4.34Å; M468-I473 PolarHBondContact O-N 2.97Å
469G75.4Confident84.2Confident22 Ų2232.2 Ų32.223%0.22718%0.181CC..Iπ-helixtrans-63.7-53.6179.500000112.8D465 T466 T471 A474D465-G469 PolarHBondContact O-N 3.43Å; T466-G469 PolarHBondContact O-N 2.78Å; G469-T471 VanDerWaalsContact C-N 3.33Å; G469-T471 PolarHBondContact O-N 3.11Å; G469-A474 PolarHBondContact O-N 2.86Å; G469-A474 VanDerWaalsContact O-N 3.1Å
470L74.7Confident84.5Confident30 Ų3031.7 Ų31.716%0.15718%0.178CC..Iπ-helixtrans-73.1-23.2-175.6-70.6162.7000113.7F186 T466 A474 E583F186-L470 WeakPolarHBondContact CE2-O 3.14Å; T466-L470 WeakPolarHBondContact O-CB 3.31Å; T466-L470 WeakPolarHBondContact O-CG 3.37Å; T466-L470 PolarHBondContact O-N 3.44Å; L470-A474 WeakPolarHBondContact O-CB 3.38Å; L470-E583 HydrophobicContact CD1-CB 3.85Å; L470-E583 HydrophobicContact CD1-CG 3.38Å
471T81.6Confident84.8Confident18 Ų1831.2 Ų31.211%0.1118%0.175CC..Iπ-helixtrans-111.8-58.8-175.674.70000113.1F186 V467 G469 A475 L576F186-T471 WeakPolarHBondContact CZ-O 3.3Å; V467-T471 HydrophobicContact CG1-CG2 3.99Å; V467-T471 WeakPolarHBondContact O-CA 3.41Å; V467-T471 VanDerWaalsContact O-CB 3.25Å; V467-T471 WeakPolarHBondContact O-CB 3.46Å; V467-T471 WeakPolarHBondContact O-CG2 3.1Å; V467-T471 PolarHBondContact O-N 3.43Å; V467-T471 PolarHBondContact O-OG1 3.13Å; G469-T471 VanDerWaalsContact C-N 3.33Å; G469-T471 PolarHBondContact O-N 3.11Å; T471-A475 WeakPolarHBondContact O-CB 3.36Å; T471-A475 PolarHBondContact O-N 3.38Å; T471-L576 HydrophobicContact CG2-CD1 3.51Å; T471-L576 HydrophobicContact CG2-CD2 4.4Å; T471-L576 HydrophobicContact CG2-CG 4.11Å
472F85Confident85.1Confident92 Ų9226.9 Ų26.940%0.40416%0.156SC..Iπ-helixtrans-84.7-38.4-170.4-73.3-78.7000112.6I454 I463 M468 G476I454-F472 HydrophobicContact CG2-CB 3.78Å; I454-F472 HydrophobicContact CG2-CD1 4.42Å; I454-F472 HydrophobicContact CG2-CG 4.47Å; I463-F472 HydrophobicContact CD1-CD2 4.48Å; I463-F472 HydrophobicContact CD1-CE2 3.79Å; I463-F472 HydrophobicContact CD1-CZ 4.13Å; I463-F472 HydrophobicContact CG2-CD2 4.49Å; I463-F472 HydrophobicContact CG2-CE2 4.29Å; M468-F472 HydrophobicContact CE-CB 3.46Å; M468-F472 VanDerWaalsContact CE-CB 3.46Å; M468-F472 HydrophobicContact CE-CG 4.36Å; M468-F472 PolarHBondContact O-N 3.1Å; M468-F472 HydrophobicContact SD-CB 3.66Å; M468-F472 HydrophobicContact SD-CD2 3.98Å; M468-F472 HydrophobicContact SD-CG 4.07Å; F472-G476 PolarHBondContact O-N 2.83Å
473I84Confident85.6Confident22 Ų2222.4 Ų22.411%0.11314%0.135CC..Iπ-helixtrans-73-48.3175.5-60.9179.8000109.5A88 M451 M468 A475 G476 S477A88-I473 HydrophobicContact CB-CD1 3.81Å; M451-I473 HydrophobicContact SD-CG2 4.24Å; M468-I473 HydrophobicContact CE-CD1 4.43Å; M468-I473 HydrophobicContact CE-CG1 3.79Å; M468-I473 HydrophobicContact CG-CD1 4.28Å; M468-I473 HydrophobicContact CG-CG1 4.34Å; M468-I473 PolarHBondContact O-N 2.97Å; I473-A475 PolarHBondContact O-N 3.27Å; I473-G476 CarbonylContact O-C 3.5Å; I473-G476 WeakPolarHBondContact O-CA 3.31Å; I473-G476 PolarHBondContact O-N 3.47Å; I473-S477 PolarHBondContact O-N 2.86Å
474A84.8Confident86.1Confident1 Ų120.5 Ų20.51%0.00813%0.125CC..Hα-helixtrans-55.5-45.7172.300000112.5F186 G469 L470 G476 S477 S478F186-A474 HydrophobicContact CD2-CB 3.83Å; F186-A474 HydrophobicContact CE2-CB 3.75Å; F186-A474 HydrophobicContact CG-CB 4.47Å; F186-A474 HydrophobicContact CZ-CB 4.31Å; G469-A474 PolarHBondContact O-N 2.86Å; G469-A474 VanDerWaalsContact O-N 3.1Å; L470-A474 WeakPolarHBondContact O-CB 3.38Å; A474-G476 VanDerWaalsContact C-N 3.29Å; A474-G476 PolarHBondContact O-N 3.28Å; A474-S477 PolarHBondContact O-N 3.34Å; A474-S477 PolarHBondContact O-OG 3.4Å; A474-S478 PolarHBondContact O-N 2.85Å; A474-S478 PolarHBondContact O-OG 3.26Å
475A88.4Confident86.8Confident32 Ų3217.5 Ų17.526%0.26411%0.106SC..Hα-helixtrans-60.4-40.817300000112.4F186 T471 I473 S478 V479F186-A475 HydrophobicContact CD1-CB 3.99Å; F186-A475 HydrophobicContact CE1-CB 3.45Å; F186-A475 VanDerWaalsContact CE1-CB 3.45Å; F186-A475 HydrophobicContact CZ-CB 4.15Å; T471-A475 WeakPolarHBondContact O-CB 3.36Å; T471-A475 PolarHBondContact O-N 3.38Å; I473-A475 PolarHBondContact O-N 3.27Å; A475-S478 PolarHBondContact O-N 2.85Å; A475-V479 WeakPolarHBondContact O-CG2 3.48Å; A475-V479 PolarHBondContact O-N 3.39Å
476G89.8Confident87.7Confident1 Ų117.2 Ų17.21%0.0111%0.105CC..Hα-helixtrans-63.8-41.7-17800000112.6M450 F472 I473 A474 V479M450-G476 WeakPolarHBondContact CE-O 3.3Å; F472-G476 PolarHBondContact O-N 2.83Å; I473-G476 CarbonylContact O-C 3.5Å; I473-G476 WeakPolarHBondContact O-CA 3.31Å; I473-G476 PolarHBondContact O-N 3.47Å; A474-G476 VanDerWaalsContact C-N 3.29Å; A474-G476 PolarHBondContact O-N 3.28Å; G476-V479 PolarHBondContact O-N 2.96Å
477S88.6Confident88.7Confident7 Ų717.1 Ų17.15%0.04910%0.103CC..Hα-helixtrans-70.3-38178.184.90000111.2E160 S183 I473 A474 V479 P480E160-S477 WeakPolarHBondContact OE1-CB 3.42Å; E160-S477 PolarHBondContact OE1-OG 3.23Å; S183-S477 WeakPolarHBondContact CB-OG 3.49Å; I473-S477 PolarHBondContact O-N 2.86Å; A474-S477 PolarHBondContact O-N 3.34Å; A474-S477 PolarHBondContact O-OG 3.4Å; S477-V479 VanDerWaalsContact C-N 3.32Å; S477-V479 PolarHBondContact O-N 3.46Å; S477-P480 WeakPolarHBondContact O-CD 3.44Å
478S91.9Very high89.4Confident4 Ų415.7 Ų15.73%0.02810%0.095CC..THydrogen-bonded Turntrans-77.80.3176-60.60000116S183 N187 A474 A475 P480 D481 A482S183-S478 PolarHBondContact O-OG 3.4Å; N187-S478 WeakPolarHBondContact OD1-CB 3.46Å; N187-S478 PolarHBondContact OD1-OG 2.93Å; A474-S478 PolarHBondContact O-N 2.85Å; A474-S478 PolarHBondContact O-OG 3.26Å; A475-S478 PolarHBondContact O-N 2.85Å; S478-P480 VanDerWaalsContact C-CD 3.48Å; S478-D481 PolarHBondContact O-N 3.26Å; S478-A482 PolarHBondContact O-N 3.36Å
479V93.7Very high90Very high20 Ų2015.8 Ų15.812%0.12110%0.096CC..Hα-helixtrans-61-43.6178.2175.90000113.1F118 L121 M450 A475 G476 S477 D481 A482 I483F118-V479 HydrophobicContact CD2-CG1 3.63Å; F118-V479 HydrophobicContact CE2-CG1 3.49Å; F118-V479 VanDerWaalsContact CE2-CG1 3.49Å; L121-V479 HydrophobicContact CD2-CB 4.13Å; L121-V479 HydrophobicContact CD2-CG1 3.6Å; M450-V479 HydrophobicContact CE-CB 3.85Å; M450-V479 HydrophobicContact CE-CG1 4.34Å; M450-V479 HydrophobicContact CE-CG2 3.61Å; M450-V479 HydrophobicContact SD-CG1 4.5Å; M450-V479 HydrophobicContact SD-CG2 4.31Å; A475-V479 WeakPolarHBondContact O-CG2 3.48Å; A475-V479 PolarHBondContact O-N 3.39Å; G476-V479 PolarHBondContact O-N 2.96Å; S477-V479 VanDerWaalsContact C-N 3.32Å; S477-V479 PolarHBondContact O-N 3.46Å; V479-D481 VanDerWaalsContact C-N 3.31Å; V479-D481 PolarHBondContact O-N 3.06Å; V479-A482 PolarHBondContact O-N 2.87Å; V479-I483 HydrophobicContact CG1-CD1 3.46Å; V479-I483 VanDerWaalsContact CG1-CD1 3.46Å; V479-I483 HydrophobicContact CG1-CG1 4.03Å; V479-I483 WeakPolarHBondContact O-CG1 3.31Å; V479-I483 PolarHBondContact O-N 2.89Å
480P95.4Very high90.7Very high1 Ų120 Ų201%0.00611%0.105CC..Hα-helixtrans-56.8-44.9175.6-21.133.4000111.7L121 P159 I443 T447 S477 S478 A482 I483 A484L121-P480 HydrophobicContact CD1-CB 4.32Å; L121-P480 HydrophobicContact CD1-CG 4.23Å; L121-P480 HydrophobicContact CD2-CB 4.32Å; L121-P480 HydrophobicContact CD2-CG 3.81Å; P159-P480 HydrophobicContact CG-CG 4.46Å; I443-P480 HydrophobicContact CG2-CB 3.8Å; I443-P480 HydrophobicContact CG2-CG 3.72Å; T447-P480 HydrophobicContact CG2-CG 3.31Å; S477-P480 WeakPolarHBondContact O-CD 3.44Å; S478-P480 VanDerWaalsContact C-CD 3.48Å; P480-A482 PolarHBondContact O-N 3.17Å; P480-I483 PolarHBondContact O-N 3.47Å; P480-A484 WeakPolarHBondContact O-CB 3.43Å; P480-A484 PolarHBondContact O-N 3.22Å
481D95.7Very high91.2Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-59-47.4175.6-67-72.9000111.6S156 V191 S478 V479 I483 S485 N500 S504S156-D481 WeakPolarHBondContact CB-OD1 3.42Å; S156-D481 PolarHBondContact OG-OD1 3.33Å; V191-D481 HydrophobicContact CG1-CB 4.28Å; V191-D481 HydrophobicContact CG2-CB 3.94Å; S478-D481 PolarHBondContact O-N 3.26Å; V479-D481 VanDerWaalsContact C-N 3.31Å; V479-D481 PolarHBondContact O-N 3.06Å; D481-I483 PolarHBondContact O-N 2.82Å; D481-S485 WeakPolarHBondContact O-CB 3.21Å; D481-S485 PolarHBondContact O-N 2.91Å; D481-S485 PolarHBondContact O-OG 3.13Å; D481-N500 PolarHBondContact OD1-ND2 3.29Å; D481-S504 WeakPolarHBondContact OD1-CB 3.44Å; D481-S504 PolarHBondContact OD1-OG 3.07Å
482A95.7Very high91.5Very high22 Ų2220.2 Ų20.218%0.18211%0.106CC..Hα-helixtrans-59-48178.500000111.9V191 S478 V479 P480 V486V191-A482 HydrophobicContact CG2-CB 4.07Å; S478-A482 PolarHBondContact O-N 3.36Å; V479-A482 PolarHBondContact O-N 2.87Å; P480-A482 PolarHBondContact O-N 3.17Å; A482-V486 WeakPolarHBondContact O-CB 3.3Å; A482-V486 WeakPolarHBondContact O-CG2 3.36Å; A482-V486 PolarHBondContact O-N 3.4Å
483I95.7Very high91.7Very high19 Ų1915.9 Ų15.910%0.0979%0.087CC..Hα-helixtrans-69.3-49.9-177.1-67.4171000110.7F118 L121 A122 C125 V479 P480 D481 S485 V486 I487F118-I483 HydrophobicContact CD2-CD1 4.49Å; F118-I483 HydrophobicContact CE2-CD1 4.06Å; F118-I483 HydrophobicContact CZ-CD1 4.1Å; F118-I483 HydrophobicContact CZ-CG1 4.43Å; L121-I483 HydrophobicContact CB-CD1 4.43Å; L121-I483 HydrophobicContact CD2-CD1 4Å; L121-I483 HydrophobicContact CG-CD1 4.03Å; A122-I483 HydrophobicContact CB-CD1 4.12Å; A122-I483 HydrophobicContact CB-CG2 4.2Å; C125-I483 HydrophobicContact CB-CG2 4Å; V479-I483 HydrophobicContact CG1-CD1 3.46Å; V479-I483 VanDerWaalsContact CG1-CD1 3.46Å; V479-I483 HydrophobicContact CG1-CG1 4.03Å; V479-I483 WeakPolarHBondContact O-CG1 3.31Å; V479-I483 PolarHBondContact O-N 2.89Å; P480-I483 PolarHBondContact O-N 3.47Å; D481-I483 PolarHBondContact O-N 2.82Å; I483-S485 VanDerWaalsContact C-N 3.31Å; I483-S485 PolarHBondContact O-N 3Å; I483-V486 PolarHBondContact O-N 3.47Å; I483-I487 HydrophobicContact CG2-CD1 3.62Å; I483-I487 HydrophobicContact CG2-CG1 4.34Å; I483-I487 VanDerWaalsContact O-CG1 3.29Å; I483-I487 WeakPolarHBondContact O-CG1 3.3Å; I483-I487 PolarHBondContact O-N 3.38Å
484A96.3Very high92.1Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-60.5-43.9-17900000110.4F129 I130 M152 P480 V486 I487 V488F129-A484 HydrophobicContact CD1-CB 4.39Å; F129-A484 HydrophobicContact CE1-CB 4.25Å; I130-A484 HydrophobicContact CD1-CB 4.2Å; M152-A484 HydrophobicContact CE-CB 3.32Å; M152-A484 WeakPolarHBondContact CE-O 3.47Å; P480-A484 WeakPolarHBondContact O-CB 3.43Å; P480-A484 PolarHBondContact O-N 3.22Å; A484-V486 PolarHBondContact O-N 3.28Å; A484-I487 PolarHBondContact O-N 2.9Å; A484-V488 PolarHBondContact O-N 3.15Å; A484-V488 VanDerWaalsContact O-N 3.08Å
485S96.5Very high92.5Very high0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-63.4-40.1176.9-580000112.5V191 S195 D481 I483 V488 V489 N500V191-S485 WeakPolarHBondContact CG1-OG 3.29Å; S195-S485 WeakPolarHBondContact OG-CB 3.33Å; D481-S485 WeakPolarHBondContact O-CB 3.21Å; D481-S485 PolarHBondContact O-N 2.91Å; D481-S485 PolarHBondContact O-OG 3.13Å; I483-S485 VanDerWaalsContact C-N 3.31Å; I483-S485 PolarHBondContact O-N 3Å; S485-V488 WeakPolarHBondContact O-CG2 3.45Å; S485-V489 WeakPolarHBondContact O-CB 3.42Å; S485-V489 PolarHBondContact O-N 2.7Å; S485-N500 PolarHBondContact OG-ND2 3.06Å
486V96.1Very high92.8Very high17 Ų1713.7 Ų13.710%0.1037%0.071CC..Hα-helixtrans-66.5-37.5175.7167.40000112V194 F198 A482 I483 A484 R490V194-V486 HydrophobicContact CG1-CG2 3.7Å; F198-V486 HydrophobicContact CB-CG1 3.81Å; F198-V486 HydrophobicContact CB-CG2 4.26Å; F198-V486 HydrophobicContact CD2-CG2 4.32Å; F198-V486 HydrophobicContact CG-CG1 4.32Å; A482-V486 WeakPolarHBondContact O-CB 3.3Å; A482-V486 WeakPolarHBondContact O-CG2 3.36Å; A482-V486 PolarHBondContact O-N 3.4Å; I483-V486 PolarHBondContact O-N 3.47Å; A484-V486 PolarHBondContact O-N 3.28Å; V486-R490 WeakPolarHBondContact O-CB 3.45Å; V486-R490 VanDerWaalsContact O-CG 3.22Å; V486-R490 WeakPolarHBondContact O-CG 3.46Å; V486-R490 PolarHBondContact O-N 3.42Å; V486-R490 VanDerWaalsContact O-N 3.09Å
487I93.1Very high93Very high21 Ų2113.8 Ų13.811%0.1087%0.071CC..Hα-helixtrans-64.1-52.4177.8-67.7162.1000109.7C125 D126 I130 I483 A484 V489 R490 E491C125-I487 HydrophobicContact CB-CD1 3.72Å; D126-I487 HydrophobicContact CB-CD1 3.86Å; I130-I487 HydrophobicContact CB-CG2 4.46Å; I130-I487 HydrophobicContact CG1-CB 4.35Å; I130-I487 HydrophobicContact CG1-CG2 3.91Å; I130-I487 HydrophobicContact CG2-CG2 4.45Å; I483-I487 HydrophobicContact CG2-CD1 3.62Å; I483-I487 HydrophobicContact CG2-CG1 4.34Å; I483-I487 VanDerWaalsContact O-CG1 3.29Å; I483-I487 WeakPolarHBondContact O-CG1 3.3Å; I483-I487 PolarHBondContact O-N 3.38Å; A484-I487 PolarHBondContact O-N 2.9Å; I487-V489 PolarHBondContact O-N 3.38Å; I487-R490 WeakPolarHBondContact O-CB 3.21Å; I487-R490 PolarHBondContact O-N 3.29Å; I487-E491 PolarHBondContact O-N 3.26Å; I487-E491 VanDerWaalsContact O-N 3.11Å
488V93.9Very high93.3Very high0 Ų013.6 Ų13.60%07%0.07CC..Hα-helixtrans-67-35.6-177.6-570000112.5I130 M152 F294 A484 S485 R490 E491 G492 E493 M496 A497I130-V488 HydrophobicContact CD1-CG1 3.58Å; I130-V488 HydrophobicContact CG1-CG1 4.19Å; I130-V488 HydrophobicContact CG2-CG1 4.09Å; M152-V488 HydrophobicContact CE-CG1 4.2Å; M152-V488 HydrophobicContact CE-CG2 4.05Å; M152-V488 HydrophobicContact SD-CG1 4.43Å; F294-V488 HydrophobicContact CE2-CG1 4.38Å; A484-V488 PolarHBondContact O-N 3.15Å; A484-V488 VanDerWaalsContact O-N 3.08Å; S485-V488 WeakPolarHBondContact O-CG2 3.45Å; V488-R490 VanDerWaalsContact C-N 3.29Å; V488-R490 PolarHBondContact O-N 3.11Å; V488-E491 WeakPolarHBondContact O-CB 3.31Å; V488-E491 PolarHBondContact O-N 2.89Å; V488-E491 VanDerWaalsContact O-N 3.16Å; V488-G492 PolarHBondContact O-N 2.89Å; V488-E493 HydrophobicContact CB-CB 4.32Å; V488-E493 PolarHBondContact O-N 3.2Å; V488-M496 HydrophobicContact CB-SD 4.28Å; V488-M496 HydrophobicContact CG1-CE 4.36Å; V488-M496 HydrophobicContact CG1-SD 4.02Å; V488-M496 HydrophobicContact CG2-CB 4.37Å; V488-M496 HydrophobicContact CG2-CG 4.27Å; V488-A497 HydrophobicContact CG2-CB 3.8Å
489V93.6Very high93.5Very high3 Ų313.6 Ų13.62%0.0187%0.07CC..Hα-helixtrans-63.8-34.7171.6138.20000112.3S195 A199 I203 S485 I487 E491 G492 A497 L560S195-V489 WeakPolarHBondContact O-CG1 3.46Å; A199-V489 HydrophobicContact CB-CG1 3.59Å; I203-V489 HydrophobicContact CD1-CB 4.43Å; I203-V489 HydrophobicContact CD1-CG1 4.18Å; I203-V489 HydrophobicContact CD1-CG2 4.12Å; I203-V489 WeakPolarHBondContact CD1-O 3.07Å; S485-V489 WeakPolarHBondContact O-CB 3.42Å; S485-V489 PolarHBondContact O-N 2.7Å; I487-V489 PolarHBondContact O-N 3.38Å; V489-E491 PolarHBondContact O-N 3.49Å; V489-G492 WeakPolarHBondContact O-CA 3.32Å; V489-G492 PolarHBondContact O-N 3.49Å; V489-G492 VanDerWaalsContact O-N 3.09Å; V489-A497 HydrophobicContact CB-CB 4.38Å; V489-A497 HydrophobicContact CG2-CB 3.55Å; V489-L560 HydrophobicContact CG2-CD2 3.66Å
490R89.5Confident93.7Very high111 Ų11112.6 Ų12.642%0.4196%0.064SC..Hα-helixtrans-74.1-19.8177.3-80177.8171.1-172.68.4113.3K200 V486 I487 V488K200-R490 HydrophobicContact CG-CG 4.48Å; K200-R490 PolarHBondContact NZ-O 3.48Å; K200-R490 VanDerWaalsContact NZ-O 3.11Å; V486-R490 WeakPolarHBondContact O-CB 3.45Å; V486-R490 VanDerWaalsContact O-CG 3.22Å; V486-R490 WeakPolarHBondContact O-CG 3.46Å; V486-R490 PolarHBondContact O-N 3.42Å; V486-R490 VanDerWaalsContact O-N 3.09Å; I487-R490 WeakPolarHBondContact O-CB 3.21Å; I487-R490 PolarHBondContact O-N 3.29Å; V488-R490 VanDerWaalsContact C-N 3.29Å; V488-R490 PolarHBondContact O-N 3.11Å
491E86.4Confident93.7Very high43 Ų4312.6 Ų12.620%0.2016%0.064CC..Hα-helixtrans-79.8-26.1167.3-67.6174.1177.800110.5G292 A293 R322 I487 V488 V489G292-E491 WeakPolarHBondContact CA-O 3.27Å; A293-E491 HydrophobicContact CB-CG 4.42Å; R322-E491 IonicContact CZ-OE1 3.36Å; R322-E491 IonicContact NH1-OE1 2.73Å; R322-E491 PolarHBondContact NH1-OE1 3.35Å; I487-E491 PolarHBondContact O-N 3.26Å; I487-E491 VanDerWaalsContact O-N 3.11Å; V488-E491 WeakPolarHBondContact O-CB 3.31Å; V488-E491 PolarHBondContact O-N 2.89Å; V488-E491 VanDerWaalsContact O-N 3.16Å; V489-E491 PolarHBondContact O-N 3.49Å
492G87.1Confident93.7Very high9 Ų912.6 Ų12.69%0.0936%0.064CC..THydrogen-bonded Turntrans1180.7175.800000113.2V488 V489 G494V488-G492 PolarHBondContact O-N 2.89Å; V489-G492 WeakPolarHBondContact O-CA 3.32Å; V489-G492 PolarHBondContact O-N 3.49Å; V489-G492 VanDerWaalsContact O-N 3.09Å; G492-G494 VanDerWaalsContact C-N 3.33Å; G492-G494 PolarHBondContact O-N 3.41Å; G492-G494 VanDerWaalsContact O-N 3.1Å
493E90.4Very high93.7Very high0 Ų011.6 Ų11.60%06%0.055CC..  trans-87.572.3179.4-58.2-52.8149.600110.8H290 G292 F294 H296 V488 M496 A497H290-E493 IonicContact ND1-OE2 3.89Å; H290-E493 PolarHBondContact ND1-OE2 3.49Å; G292-E493 VanDerWaalsContact CA-OE1 3.26Å; G292-E493 WeakPolarHBondContact CA-OE1 3.28Å; G292-E493 PolarHBondContact N-OE1 2.93Å; F294-E493 HydrophobicContact CB-CG 4.37Å; F294-E493 HydrophobicContact CD2-CG 3.61Å; F294-E493 HydrophobicContact CE2-CG 4.29Å; F294-E493 HydrophobicContact CG-CG 4.26Å; H296-E493 IonicContact CE1-OE1 3.36Å; V488-E493 HydrophobicContact CB-CB 4.32Å; V488-E493 PolarHBondContact O-N 3.2Å; E493-M496 HydrophobicContact CB-CB 3.8Å; E493-M496 PolarHBondContact O-N 2.97Å; E493-A497 PolarHBondContact O-N 3Å
494G91.8Very high93.7Very high1 Ų110.7 Ų10.71%0.015%0.051CC..Hα-helixtrans-63.1-41.217700000113.1G492 A497 V498G492-G494 VanDerWaalsContact C-N 3.33Å; G492-G494 PolarHBondContact O-N 3.41Å; G492-G494 VanDerWaalsContact O-N 3.1Å; G494-A497 PolarHBondContact O-N 3.33Å; G494-V498 WeakPolarHBondContact O-CG2 3.39Å; G494-V498 PolarHBondContact O-N 2.73Å; G494-V498 VanDerWaalsContact O-N 3.13Å
495D92.2Very high93.6Very high9 Ų910.7 Ų10.75%0.0485%0.051CC..Hα-helixtrans-62.5-44.1178-70.3-26.6000111.2D145 L205 N206 H290 A497 V498 S499D145-D495 HydrophobicContact CB-CB 4.35Å; L205-D495 WeakPolarHBondContact CA-OD1 3.41Å; L205-D495 WeakPolarHBondContact CD2-OD1 3.32Å; N206-D495 WeakPolarHBondContact CB-OD2 3.45Å; N206-D495 PolarHBondContact N-OD1 3.39Å; N206-D495 PolarHBondContact N-OD2 2.91Å; N206-D495 PolarHBondContact ND2-OD2 3.47Å; H290-D495 IonicContact CE1-OD2 3.8Å; H290-D495 PolarHBondContact CE1-OD2 2.85Å; D495-A497 VanDerWaalsContact C-N 3.34Å; D495-A497 PolarHBondContact O-N 3.49Å; D495-V498 PolarHBondContact O-N 3.46Å; D495-S499 WeakPolarHBondContact O-CB 3.19Å; D495-S499 PolarHBondContact O-N 2.87Å; D495-S499 PolarHBondContact O-OG 3.25Å
496M94.6Very high93.6Very high0 Ų010.7 Ų10.70%05%0.051CC..Hα-helixtrans-59-42.7176.5-175.6171.5-174.100112.2L133 P144 A147 M152 F294 V488 E493 N500L133-M496 HydrophobicContact CB-CE 4.44Å; L133-M496 HydrophobicContact CD1-CE 4.19Å; P144-M496 HydrophobicContact CB-CB 4.21Å; P144-M496 HydrophobicContact CB-SD 4.19Å; P144-M496 VanDerWaalsContact O-CG 3.27Å; P144-M496 WeakPolarHBondContact O-CG 3.32Å; A147-M496 HydrophobicContact CB-CE 4.35Å; M152-M496 HydrophobicContact CB-CE 4.4Å; M152-M496 HydrophobicContact SD-CE 3.69Å; M152-M496 HydrophobicContact SD-CG 4.05Å; F294-M496 HydrophobicContact CD1-SD 4.48Å; F294-M496 HydrophobicContact CD2-SD 4.38Å; F294-M496 HydrophobicContact CE1-CE 3.9Å; F294-M496 HydrophobicContact CE1-SD 3.85Å; F294-M496 HydrophobicContact CE2-CE 4.44Å; F294-M496 HydrophobicContact CE2-SD 3.76Å; F294-M496 HydrophobicContact CZ-CE 3.6Å; F294-M496 HydrophobicContact CZ-SD 3.46Å; F294-M496 WeakPolarHBondContact CZ-SD 3.24Å; V488-M496 HydrophobicContact CB-SD 4.28Å; V488-M496 HydrophobicContact CG1-CE 4.36Å; V488-M496 HydrophobicContact CG1-SD 4.02Å; V488-M496 HydrophobicContact CG2-CB 4.37Å; V488-M496 HydrophobicContact CG2-CG 4.27Å; E493-M496 HydrophobicContact CB-CB 3.8Å; E493-M496 PolarHBondContact O-N 2.97Å; M496-N500 VanDerWaalsContact O-CB 3.28Å; M496-N500 WeakPolarHBondContact O-CB 3.19Å; M496-N500 PolarHBondContact O-N 3.31Å
497A95.7Very high93.6Very high2 Ų210.7 Ų10.72%0.0175%0.05CC..Hα-helixtrans-63.7-45.1177.700000113V488 V489 E493 G494 D495 N500 A501V488-A497 HydrophobicContact CG2-CB 3.8Å; V489-A497 HydrophobicContact CB-CB 4.38Å; V489-A497 HydrophobicContact CG2-CB 3.55Å; E493-A497 PolarHBondContact O-N 3Å; G494-A497 PolarHBondContact O-N 3.33Å; D495-A497 VanDerWaalsContact C-N 3.34Å; D495-A497 PolarHBondContact O-N 3.49Å; A497-N500 PolarHBondContact O-N 2.9Å; A497-A501 PolarHBondContact O-N 2.86Å
498V94.7Very high93.7Very high4 Ų49.7 Ų9.72%0.0245%0.045CC..Hα-helixtrans-72.3-40.9-179-174.90000110.5V192 L205 L210 G494 D495 N500 A501 V502 L560V192-V498 HydrophobicContact CG1-CG2 4.23Å; V192-V498 HydrophobicContact CG2-CG1 4.42Å; L205-V498 HydrophobicContact CD1-CG2 4.12Å; L205-V498 HydrophobicContact CD2-CG2 3.9Å; L210-V498 HydrophobicContact CD1-CG1 3.58Å; G494-V498 WeakPolarHBondContact O-CG2 3.39Å; G494-V498 PolarHBondContact O-N 2.73Å; G494-V498 VanDerWaalsContact O-N 3.13Å; D495-V498 PolarHBondContact O-N 3.46Å; V498-N500 VanDerWaalsContact C-N 3.3Å; V498-N500 PolarHBondContact O-N 2.67Å; V498-A501 PolarHBondContact O-N 2.64Å; V498-V502 PolarHBondContact O-N 3.11Å; V498-L560 HydrophobicContact CG2-CD1 4.42Å
499S96Very high93.7Very high3 Ų39.8 Ų9.82%0.0215%0.045CC..Hα-helixtrans-62.2-35.3173-81.30000112.5D145 A149 D213 D495 G503D145-S499 WeakPolarHBondContact O-CB 3.32Å; A149-S499 WeakPolarHBondContact CA-O 3.35Å; D213-S499 VanDerWaalsContact OD2-CB 3.25Å; D213-S499 WeakPolarHBondContact OD2-CB 3.14Å; D213-S499 PolarHBondContact OD2-OG 2.82Å; D495-S499 WeakPolarHBondContact O-CB 3.19Å; D495-S499 PolarHBondContact O-N 2.87Å; D495-S499 PolarHBondContact O-OG 3.25Å; S499-G503 VanDerWaalsContact O-CA 3.31Å; S499-G503 WeakPolarHBondContact O-CA 3.42Å; S499-G503 PolarHBondContact O-N 3.48Å
500N96.5Very high93.8Very high0 Ų09.7 Ų9.70%04%0.044CC..Hα-helixtrans-62.6-52.8169.7-178.474.1000111G148 M152 A153 D481 S485 M496 A497 V498 V502 G503 S504G148-N500 WeakPolarHBondContact O-CA 3.34Å; G148-N500 PolarHBondContact O-OD1 3.49Å; M152-N500 WeakPolarHBondContact CB-OD1 3.16Å; M152-N500 HydrophobicContact CE-CB 3.92Å; M152-N500 HydrophobicContact CG-CB 4.27Å; M152-N500 WeakPolarHBondContact CG-OD1 3.34Å; M152-N500 HydrophobicContact SD-CB 3.64Å; A153-N500 WeakPolarHBondContact CA-OD1 3.43Å; A153-N500 PolarHBondContact N-OD1 3.36Å; D481-N500 PolarHBondContact OD1-ND2 3.29Å; S485-N500 PolarHBondContact OG-ND2 3.06Å; M496-N500 VanDerWaalsContact O-CB 3.28Å; M496-N500 WeakPolarHBondContact O-CB 3.19Å; M496-N500 PolarHBondContact O-N 3.31Å; A497-N500 PolarHBondContact O-N 2.9Å; V498-N500 VanDerWaalsContact C-N 3.3Å; V498-N500 PolarHBondContact O-N 2.67Å; N500-V502 VanDerWaalsContact C-N 3.26Å; N500-V502 PolarHBondContact O-N 3.14Å; N500-G503 PolarHBondContact O-N 2.89Å; N500-G503 VanDerWaalsContact O-N 3.16Å; N500-S504 WeakPolarHBondContact O-CB 3.28Å; N500-S504 PolarHBondContact O-N 3.08Å; N500-S504 PolarHBondContact O-OG 3.37Å
501A95.6Very high94.1Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-57.1-37.3-178.100000113.7V191 V192 A497 V498V191-A501 HydrophobicContact CB-CB 4.39Å; V191-A501 HydrophobicContact CG1-CB 4.07Å; V192-A501 HydrophobicContact CG2-CB 3.48Å; V192-A501 VanDerWaalsContact CG2-CB 3.48Å; A497-A501 PolarHBondContact O-N 2.86Å; V498-A501 PolarHBondContact O-N 2.64Å
502V95.6Very high94.4Very high1 Ų13.2 Ų3.21%0.0062%0.019CC..Hα-helixtrans-79.9-44.1175.1-178.80000111.2L210 D213 Y217 V498 N500 S504 N505 V506 L549L210-V502 HydrophobicContact CD1-CG2 4.15Å; D213-V502 HydrophobicContact CB-CB 4.15Å; D213-V502 HydrophobicContact CB-CG1 3.76Å; Y217-V502 HydrophobicContact CD1-CG1 4.13Å; Y217-V502 HydrophobicContact CG-CG1 4.29Å; V498-V502 PolarHBondContact O-N 3.11Å; N500-V502 VanDerWaalsContact C-N 3.26Å; N500-V502 PolarHBondContact O-N 3.14Å; V502-S504 PolarHBondContact O-N 3.34Å; V502-N505 WeakPolarHBondContact O-CB 3.45Å; V502-N505 PolarHBondContact O-N 2.88Å; V502-N505 VanDerWaalsContact O-N 3.16Å; V502-V506 PolarHBondContact O-N 3.32Å; V502-L549 HydrophobicContact CG2-CD2 4.14Å
503G96.6Very high94.6Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-63.3-38-178.400000113.9S499 N500 N505 V506 F507S499-G503 VanDerWaalsContact O-CA 3.31Å; S499-G503 WeakPolarHBondContact O-CA 3.42Å; S499-G503 PolarHBondContact O-N 3.48Å; N500-G503 PolarHBondContact O-N 2.89Å; N500-G503 VanDerWaalsContact O-N 3.16Å; G503-N505 PolarHBondContact O-N 3.37Å; G503-V506 WeakPolarHBondContact O-CB 3.4Å; G503-V506 PolarHBondContact O-N 3.37Å; G503-V506 VanDerWaalsContact O-N 3.14Å; G503-F507 WeakPolarHBondContact O-CB 3.47Å; G503-F507 PolarHBondContact O-N 3.49Å
504S95.6Very high94.8Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-57.8-38.4173.4-57.20000111A153 S156 D481 N500 V502 F507 D508A153-S504 WeakPolarHBondContact CA-OG 3.37Å; S156-S504 PolarHBondContact OG-OG 3.5Å; D481-S504 WeakPolarHBondContact OD1-CB 3.44Å; D481-S504 PolarHBondContact OD1-OG 3.07Å; N500-S504 WeakPolarHBondContact O-CB 3.28Å; N500-S504 PolarHBondContact O-N 3.08Å; N500-S504 PolarHBondContact O-OG 3.37Å; V502-S504 PolarHBondContact O-N 3.34Å; S504-F507 WeakPolarHBondContact O-CB 3.45Å; S504-F507 PolarHBondContact O-N 3.49Å; S504-D508 VanDerWaalsContact O-CB 3.26Å; S504-D508 WeakPolarHBondContact O-CB 3.24Å; S504-D508 PolarHBondContact O-N 2.85Å
505N94.7Very high94.9Very high0 Ų05.7 Ų5.70%03%0.03CC..Hα-helixtrans-73-35.3177.2-67.6-0.9000113.2A184 N187 I188 Y217 V502 G503 F507 D508 I509A184-N505 WeakPolarHBondContact CA-ND2 3.12Å; A184-N505 WeakPolarHBondContact CA-OD1 3.32Å; A184-N505 HydrophobicContact CB-CB 4.42Å; A184-N505 PolarHBondContact O-ND2 2.94Å; N187-N505 WeakPolarHBondContact CB-OD1 3.42Å; N187-N505 PolarHBondContact ND2-OD1 2.89Å; I188-N505 WeakPolarHBondContact CG2-ND2 3.45Å; Y217-N505 HydrophobicContact CD2-CB 3.97Å; Y217-N505 HydrophobicContact CE1-CB 4.29Å; Y217-N505 HydrophobicContact CE2-CB 3.48Å; Y217-N505 VanDerWaalsContact CE2-CB 3.48Å; Y217-N505 PolarHBondContact OH-ND2 2.99Å; V502-N505 WeakPolarHBondContact O-CB 3.45Å; V502-N505 PolarHBondContact O-N 2.88Å; V502-N505 VanDerWaalsContact O-N 3.16Å; G503-N505 PolarHBondContact O-N 3.37Å; N505-F507 VanDerWaalsContact C-N 3.31Å; N505-D508 PolarHBondContact O-N 3.11Å; N505-I509 WeakPolarHBondContact O-CG1 3.5Å; N505-I509 PolarHBondContact O-N 3.3Å
506V96.5Very high94.9Very high0 Ų05.3 Ų5.30%03%0.028CC..Hα-helixtrans-61.3-46.2171.3-179.70000109.7V216 Y217 Y248 V502 G503 L510V216-V506 HydrophobicContact CG1-CG1 3.93Å; Y217-V506 HydrophobicContact CD2-CG2 4.24Å; Y217-V506 HydrophobicContact CG-CG2 4.26Å; Y248-V506 HydrophobicContact CD1-CG1 3.99Å; Y248-V506 HydrophobicContact CE1-CB 4.46Å; Y248-V506 HydrophobicContact CE1-CG1 3.98Å; Y248-V506 HydrophobicContact CG-CG1 4.45Å; V502-V506 PolarHBondContact O-N 3.32Å; G503-V506 WeakPolarHBondContact O-CB 3.4Å; G503-V506 PolarHBondContact O-N 3.37Å; G503-V506 VanDerWaalsContact O-N 3.14Å; V506-L510 HydrophobicContact CG1-CD1 3.69Å; V506-L510 HydrophobicContact CG1-CG 4.36Å; V506-L510 VanDerWaalsContact O-CB 3.3Å; V506-L510 WeakPolarHBondContact O-CB 3.25Å; V506-L510 VanDerWaalsContact O-CG 3.3Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.41Å
507F96.4Very high94.7Very high18 Ų185.9 Ų5.98%0.0793%0.03CC..Hα-helixtrans-61.5-45176.7-173.6-89.9000111.4A154 S157 Y245 G503 S504 N505 L510 I511 C512A154-F507 HydrophobicContact CB-CD2 4.03Å; A154-F507 HydrophobicContact CB-CE2 3.57Å; A154-F507 HydrophobicContact CB-CZ 3.85Å; S157-F507 VanDerWaalsContact CB-CD1 3.49Å; Y245-F507 HydrophobicContact CE1-CD2 4.4Å; Y245-F507 HydrophobicContact CE1-CE2 4.49Å; Y245-F507 HydrophobicContact CE2-CB 4.36Å; Y245-F507 AromaticContact CE2-CD2 3.73Å; Y245-F507 HydrophobicContact CE2-CD2 3.73Å; Y245-F507 AromaticContact CZ-CD2 3.58Å; Y245-F507 WeakPolarHBondContact OH-CD2 3.43Å; G503-F507 WeakPolarHBondContact O-CB 3.47Å; G503-F507 PolarHBondContact O-N 3.49Å; S504-F507 WeakPolarHBondContact O-CB 3.45Å; S504-F507 PolarHBondContact O-N 3.49Å; N505-F507 VanDerWaalsContact C-N 3.31Å; F507-L510 PolarHBondContact O-N 2.96Å; F507-I511 HydrophobicContact CD1-CB 4.37Å; F507-I511 HydrophobicContact CD2-CB 4.19Å; F507-I511 HydrophobicContact CD2-CG1 4.01Å; F507-I511 HydrophobicContact CE1-CB 4.2Å; F507-I511 HydrophobicContact CE1-CG2 4.08Å; F507-I511 HydrophobicContact CE2-CB 4Å; F507-I511 HydrophobicContact CE2-CG1 3.94Å; F507-I511 HydrophobicContact CE2-CG2 3.99Å; F507-I511 HydrophobicContact CG-CB 4.37Å; F507-I511 HydrophobicContact CZ-CB 4.01Å; F507-I511 HydrophobicContact CZ-CG1 4.44Å; F507-I511 HydrophobicContact CZ-CG2 3.66Å; F507-I511 VanDerWaalsContact O-CA 3.32Å; F507-I511 WeakPolarHBondContact O-CA 3.38Å; F507-I511 VanDerWaalsContact O-CB 3.27Å; F507-I511 WeakPolarHBondContact O-CB 3.41Å; F507-I511 PolarHBondContact O-N 3.01Å; F507-C512 VanDerWaalsContact CD1-SG 3.56Å; F507-C512 VanDerWaalsContact CE1-SG 3.51Å; F507-C512 PolarHBondContact O-N 2.95Å; F507-C512 VanDerWaalsContact O-N 3.1Å
508D94.6Very high94.6Very high0 Ų07.7 Ų7.70%04%0.039CC..Iπ-helixtrans-62.2-47.5-178.5-79-10000112.6S157 V180 S504 N505 C512 M513S157-D508 WeakPolarHBondContact CB-OD1 3.3Å; S157-D508 PolarHBondContact OG-OD1 2.8Å; V180-D508 HydrophobicContact CG1-CB 3.68Å; S504-D508 VanDerWaalsContact O-CB 3.26Å; S504-D508 WeakPolarHBondContact O-CB 3.24Å; S504-D508 PolarHBondContact O-N 2.85Å; N505-D508 PolarHBondContact O-N 3.11Å; D508-C512 HydrophobicContact CB-CB 4.49Å; D508-C512 CarbonylContact O-C 3.59Å; D508-C512 WeakPolarHBondContact O-CA 3.38Å; D508-C512 VanDerWaalsContact O-CB 3.24Å; D508-C512 WeakPolarHBondContact O-CB 3.44Å; D508-C512 PolarHBondContact O-N 3.46Å; D508-C512 VanDerWaalsContact O-N 3.15Å; D508-C512 PolarHBondContact OD1-SG 2.85Å; D508-M513 PolarHBondContact O-N 3.01Å
509I93.5Very high94.5Very high2 Ų211.3 Ų11.31%0.016%0.057CC..Iπ-helixtrans-68.7-47.1178.4-66.3178.4000110.9Y217 I221 L224 N505 M513Y217-I509 HydrophobicContact CD2-CD1 4.31Å; Y217-I509 HydrophobicContact CE2-CD1 3.7Å; I221-I509 HydrophobicContact CG1-CD1 4.04Å; L224-I509 HydrophobicContact CB-CG2 3.9Å; L224-I509 HydrophobicContact CD2-CD1 4.22Å; L224-I509 HydrophobicContact CD2-CG1 4.27Å; L224-I509 HydrophobicContact CD2-CG2 4.18Å; L224-I509 HydrophobicContact CG-CG2 4.45Å; N505-I509 WeakPolarHBondContact O-CG1 3.5Å; N505-I509 PolarHBondContact O-N 3.3Å; I509-M513 WeakPolarHBondContact O-CB 3.43Å
510L96.2Very high94.2Very high0 Ų013.5 Ų13.50%07%0.066CC..Iπ-helixtrans-82.2-38.1-170.6-61.5-178.5000113.1S220 L241 I242 V244 Y245 V506 F507 G514S220-L510 WeakPolarHBondContact OG-CD1 3.35Å; S220-L510 WeakPolarHBondContact OG-CG 3.26Å; L241-L510 HydrophobicContact CB-CD2 4.23Å; L241-L510 HydrophobicContact CD2-CD2 3.93Å; I242-L510 WeakPolarHBondContact CD1-O 3.39Å; V244-L510 HydrophobicContact CB-CD1 4.39Å; V244-L510 HydrophobicContact CB-CD2 4.44Å; V244-L510 HydrophobicContact CG1-CD1 3.9Å; V244-L510 HydrophobicContact CG1-CD2 4.29Å; Y245-L510 HydrophobicContact CD2-CB 4.35Å; Y245-L510 HydrophobicContact CD2-CD1 4.27Å; Y245-L510 HydrophobicContact CG-CB 4.49Å; V506-L510 HydrophobicContact CG1-CD1 3.69Å; V506-L510 HydrophobicContact CG1-CG 4.36Å; V506-L510 VanDerWaalsContact O-CB 3.3Å; V506-L510 WeakPolarHBondContact O-CB 3.25Å; V506-L510 VanDerWaalsContact O-CG 3.3Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.41Å; F507-L510 PolarHBondContact O-N 2.96Å; L510-G514 WeakPolarHBondContact O-CA 3.4Å
511I95.9Very high93.9Very high19 Ų1913.7 Ų13.710%0.0977%0.067CC..Iπ-helixtrans-103.2-54.8-177.3-58.5-55.1000111.4I242 Y245 F507 M513 G514 L515I242-I511 HydrophobicContact CD1-CD1 3.57Å; Y245-I511 HydrophobicContact CD1-CD1 3.49Å; Y245-I511 VanDerWaalsContact CD1-CD1 3.49Å; Y245-I511 HydrophobicContact CD1-CG1 3.63Å; Y245-I511 HydrophobicContact CD2-CD1 4.39Å; Y245-I511 HydrophobicContact CD2-CG1 3.89Å; Y245-I511 HydrophobicContact CE1-CD1 4.2Å; Y245-I511 HydrophobicContact CE1-CG1 3.96Å; Y245-I511 HydrophobicContact CE2-CG1 4.23Å; Y245-I511 HydrophobicContact CG-CD1 3.59Å; Y245-I511 HydrophobicContact CG-CG1 3.59Å; F507-I511 HydrophobicContact CD1-CB 4.37Å; F507-I511 HydrophobicContact CD2-CB 4.19Å; F507-I511 HydrophobicContact CD2-CG1 4.01Å; F507-I511 HydrophobicContact CE1-CB 4.2Å; F507-I511 HydrophobicContact CE1-CG2 4.08Å; F507-I511 HydrophobicContact CE2-CB 4Å; F507-I511 HydrophobicContact CE2-CG1 3.94Å; F507-I511 HydrophobicContact CE2-CG2 3.99Å; F507-I511 HydrophobicContact CG-CB 4.37Å; F507-I511 HydrophobicContact CZ-CB 4.01Å; F507-I511 HydrophobicContact CZ-CG1 4.44Å; F507-I511 HydrophobicContact CZ-CG2 3.66Å; F507-I511 VanDerWaalsContact O-CA 3.32Å; F507-I511 WeakPolarHBondContact O-CA 3.38Å; F507-I511 VanDerWaalsContact O-CB 3.27Å; F507-I511 WeakPolarHBondContact O-CB 3.41Å; F507-I511 PolarHBondContact O-N 3.01Å; I511-M513 VanDerWaalsContact C-N 3.27Å; I511-M513 PolarHBondContact O-N 3.33Å; I511-G514 PolarHBondContact O-N 2.9Å; I511-L515 HydrophobicContact CG2-CB 4.47Å; I511-L515 WeakPolarHBondContact O-CB 3.3Å; I511-L515 PolarHBondContact O-N 3.05Å
512C93.2Very high93.8Very high0 Ų018.2 Ų18.20%09%0.09CC..Iπ-helixtrans-64.9-30-174.7-57.90000112.6E160 T164 F507 D508 P516E160-C512 HydrophobicContact CB-CB 4.4Å; T164-C512 WeakPolarHBondContact CB-O 2.78Å; T164-C512 HydrophobicContact CG2-CB 4.43Å; T164-C512 WeakPolarHBondContact CG2-O 3.08Å; T164-C512 PolarHBondContact OG1-O 3.14Å; F507-C512 VanDerWaalsContact CD1-SG 3.56Å; F507-C512 VanDerWaalsContact CE1-SG 3.51Å; F507-C512 PolarHBondContact O-N 2.95Å; F507-C512 VanDerWaalsContact O-N 3.1Å; D508-C512 HydrophobicContact CB-CB 4.49Å; D508-C512 CarbonylContact O-C 3.59Å; D508-C512 WeakPolarHBondContact O-CA 3.38Å; D508-C512 VanDerWaalsContact O-CB 3.24Å; D508-C512 WeakPolarHBondContact O-CB 3.44Å; D508-C512 PolarHBondContact O-N 3.46Å; D508-C512 VanDerWaalsContact O-N 3.15Å; D508-C512 PolarHBondContact OD1-SG 2.85Å; C512-P516 WeakPolarHBondContact O-CD 3.27Å; C512-P516 WeakPolarHBondContact O-CG 3.12Å
513M90.4Very high93.6Very high3 Ų323.6 Ų23.62%0.01512%0.118CC..Iπ-helixtrans-90.1-48.4168.8-58-179.2-179.800112.7L177 V180 V181 L224 D508 I509 I511 L515 P516 W517L177-M513 HydrophobicContact CD1-CE 3.37Å; L177-M513 HydrophobicContact CD1-CG 4.31Å; L177-M513 HydrophobicContact CD1-SD 3.38Å; L177-M513 WeakPolarHBondContact CD1-SD 3.46Å; V180-M513 HydrophobicContact CB-CE 3.55Å; V180-M513 HydrophobicContact CG1-CE 3.37Å; V180-M513 HydrophobicContact CG1-CG 4.32Å; V181-M513 HydrophobicContact CG2-CE 3.82Å; L224-M513 HydrophobicContact CD1-SD 3.62Å; L224-M513 HydrophobicContact CD2-CE 4.19Å; L224-M513 HydrophobicContact CD2-SD 4.08Å; D508-M513 PolarHBondContact O-N 3.01Å; I509-M513 WeakPolarHBondContact O-CB 3.43Å; I511-M513 VanDerWaalsContact C-N 3.27Å; I511-M513 PolarHBondContact O-N 3.33Å; M513-L515 VanDerWaalsContact C-N 3.35Å; M513-L515 PolarHBondContact O-N 3.19Å; M513-P516 WeakPolarHBondContact O-CD 3.3Å; M513-W517 HydrophobicContact CB-CD2 4.37Å; M513-W517 HydrophobicContact CB-CE3 4.21Å; M513-W517 HydrophobicContact CB-CH2 4.06Å; M513-W517 HydrophobicContact CB-CZ2 4.22Å; M513-W517 HydrophobicContact CB-CZ3 4.05Å; M513-W517 WeakPolarHBondContact O-CB 3.33Å; M513-W517 VanDerWaalsContact O-CG 3.26Å; M513-W517 PolarHBondContact O-N 2.66Å; M513-W517 HydrophobicContact SD-CH2 4Å; M513-W517 HydrophobicContact SD-CZ2 4.43Å
514G93.9Very high93.2Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-61.3-38.3-173.600000113.9L510 I511 L518L510-G514 WeakPolarHBondContact O-CA 3.4Å; I511-G514 PolarHBondContact O-N 2.9Å; G514-L518 WeakPolarHBondContact O-CB 3.24Å; G514-L518 PolarHBondContact O-N 2.01Å
515L94.1Very high92.8Very high59 Ų5934.3 Ų34.331%0.30917%0.173SC..Hα-helixtrans-72.3-50.6-175.7-178.1151.3000112.1L161 L165 I242 I511 M513 W517 L518 M519L161-L515 HydrophobicContact CD1-CD2 4.39Å; L165-L515 HydrophobicContact CD2-CD2 4.12Å; I242-L515 HydrophobicContact CD1-CB 3.94Å; I511-L515 HydrophobicContact CG2-CB 4.47Å; I511-L515 WeakPolarHBondContact O-CB 3.3Å; I511-L515 PolarHBondContact O-N 3.05Å; M513-L515 VanDerWaalsContact C-N 3.35Å; M513-L515 PolarHBondContact O-N 3.19Å; L515-W517 VanDerWaalsContact C-N 3.35Å; L515-W517 PolarHBondContact O-N 3.11Å; L515-L518 PolarHBondContact O-N 3.17Å; L515-M519 HydrophobicContact CD2-CG 4.36Å; L515-M519 HydrophobicContact CD2-SD 3.45Å; L515-M519 WeakPolarHBondContact CD2-SD 3.5Å; L515-M519 HydrophobicContact CG-SD 4.28Å; L515-M519 WeakPolarHBondContact O-CG 3.19Å; L515-M519 PolarHBondContact O-N 3.01Å
516P91.9Very high92.5Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-59.1-42.4174.8-27.236.4000113.4L165 V168 C512 M513 M519 K520L165-P516 HydrophobicContact CD2-CB 4.07Å; L165-P516 HydrophobicContact CD2-CG 3.79Å; L165-P516 HydrophobicContact CG-CG 3.95Å; V168-P516 HydrophobicContact CB-CB 4.02Å; V168-P516 HydrophobicContact CG1-CB 4.31Å; V168-P516 HydrophobicContact CG2-CB 3.82Å; C512-P516 WeakPolarHBondContact O-CD 3.27Å; C512-P516 WeakPolarHBondContact O-CG 3.12Å; M513-P516 WeakPolarHBondContact O-CD 3.3Å; P516-M519 PolarHBondContact O-N 3.08Å; P516-K520 VanDerWaalsContact O-CB 3.26Å; P516-K520 WeakPolarHBondContact O-CB 3.47Å; P516-K520 PolarHBondContact O-N 2.61Å
517W91.4Very high92Very high13 Ų1339.3 Ų39.35%0.04921%0.206CC..Hα-helixtrans-63.6-44.1177.8-67.5-18.9000112.1L177 L224 V227 I228 V233 S238 L241 M513 L515 M519 K520 S521 I528 I530L177-W517 HydrophobicContact CD1-CH2 3.81Å; L177-W517 HydrophobicContact CD1-CZ2 3.59Å; L177-W517 HydrophobicContact CD2-CZ2 4.06Å; L177-W517 HydrophobicContact CG-CZ2 4.35Å; L224-W517 HydrophobicContact CD1-CH2 3.84Å; L224-W517 HydrophobicContact CD1-CZ3 4.18Å; V227-W517 HydrophobicContact CG1-CZ3 4.05Å; I228-W517 HydrophobicContact CG2-CH2 4.38Å; V233-W517 HydrophobicContact CG1-CB 4.21Å; V233-W517 HydrophobicContact CG1-CD2 4.15Å; V233-W517 HydrophobicContact CG1-CE3 3.88Å; V233-W517 HydrophobicContact CG1-CG 4.34Å; V233-W517 HydrophobicContact CG2-CE3 4.39Å; V233-W517 HydrophobicContact CG2-CZ3 4.42Å; S238-W517 WeakPolarHBondContact OG-CB 3.3Å; L241-W517 HydrophobicContact CD1-CE3 4.1Å; L241-W517 HydrophobicContact CD1-CZ3 3.99Å; M513-W517 HydrophobicContact CB-CD2 4.37Å; M513-W517 HydrophobicContact CB-CE3 4.21Å; M513-W517 HydrophobicContact CB-CH2 4.06Å; M513-W517 HydrophobicContact CB-CZ2 4.22Å; M513-W517 HydrophobicContact CB-CZ3 4.05Å; M513-W517 WeakPolarHBondContact O-CB 3.33Å; M513-W517 VanDerWaalsContact O-CG 3.26Å; M513-W517 PolarHBondContact O-N 2.66Å; M513-W517 HydrophobicContact SD-CH2 4Å; M513-W517 HydrophobicContact SD-CZ2 4.43Å; L515-W517 VanDerWaalsContact C-N 3.35Å; L515-W517 PolarHBondContact O-N 3.11Å; W517-M519 PolarHBondContact O-N 3.1Å; W517-K520 PolarHBondContact O-N 3.17Å; W517-S521 VanDerWaalsContact O-CB 3.24Å; W517-S521 WeakPolarHBondContact O-CB 3.49Å; W517-S521 PolarHBondContact O-N 3.26Å; W517-I528 HydrophobicContact CB-CD1 3.88Å; W517-I528 HydrophobicContact CG-CD1 4.06Å; W517-I530 HydrophobicContact CH2-CD1 4.19Å; W517-I530 HydrophobicContact CZ2-CD1 3.85Å
518L94.2Very high91.4Very high40 Ų4040 Ų4021%0.20921%0.21CC..Hα-helixtrans-59-50.7176-178.263.9000111W235 I242 G514 L515 K520 I522W235-L518 HydrophobicContact CB-CD1 4.43Å; W235-L518 HydrophobicContact CE3-CD1 4.45Å; W235-L518 WeakPolarHBondContact O-CD1 3.42Å; I242-L518 HydrophobicContact CG1-CD2 4.23Å; G514-L518 WeakPolarHBondContact O-CB 3.24Å; G514-L518 PolarHBondContact O-N 2.01Å; L515-L518 PolarHBondContact O-N 3.17Å; L518-K520 PolarHBondContact O-N 2.83Å; L518-I522 HydrophobicContact CD1-CD1 3.65Å; L518-I522 HydrophobicContact CD1-CG1 4.22Å; L518-I522 HydrophobicContact CG-CD1 3.85Å; L518-I522 WeakPolarHBondContact O-CB 3.25Å; L518-I522 VanDerWaalsContact O-CG1 3.24Å; L518-I522 WeakPolarHBondContact O-CG1 3.39Å; L518-I522 PolarHBondContact O-N 3.42Å
519M92.3Very high90.9Very high80 Ų8044.9 Ų44.939%0.39424%0.235SC..Hα-helixtrans-59.9-47.2179.6-68.8175.861.500111.2L165 F169 L515 P516 W517 I523L165-M519 HydrophobicContact CD2-SD 4.19Å; F169-M519 HydrophobicContact CE2-CB 4.14Å; F169-M519 HydrophobicContact CE2-CE 4.2Å; F169-M519 HydrophobicContact CZ-CB 3.78Å; F169-M519 HydrophobicContact CZ-CE 4.13Å; L515-M519 HydrophobicContact CD2-CG 4.36Å; L515-M519 HydrophobicContact CD2-SD 3.45Å; L515-M519 WeakPolarHBondContact CD2-SD 3.5Å; L515-M519 HydrophobicContact CG-SD 4.28Å; L515-M519 WeakPolarHBondContact O-CG 3.19Å; L515-M519 PolarHBondContact O-N 3.01Å; P516-M519 PolarHBondContact O-N 3.08Å; W517-M519 PolarHBondContact O-N 3.1Å; M519-I523 WeakPolarHBondContact O-CB 3.42Å; M519-I523 VanDerWaalsContact O-CD1 3.32Å; M519-I523 WeakPolarHBondContact O-CD1 3.35Å; M519-I523 WeakPolarHBondContact O-CG1 3.38Å; M519-I523 PolarHBondContact O-N 3.18Å
520K89.8Confident90.2Very high48 Ų4844.8 Ų44.821%0.20924%0.235CC..Hα-helixtrans-67.9-42.4-177178.962179153.30112.7V168 F169 P516 W517 L518 I523 S524 I528V168-K520 HydrophobicContact CG1-CB 3.36Å; V168-K520 HydrophobicContact CG1-CD 4.28Å; V168-K520 HydrophobicContact CG1-CG 3.58Å; F169-K520 HydrophobicContact CD1-CD 4.44Å; F169-K520 HydrophobicContact CE1-CD 4.26Å; F169-K520 HydrophobicContact CZ-CB 4.32Å; P516-K520 VanDerWaalsContact O-CB 3.26Å; P516-K520 WeakPolarHBondContact O-CB 3.47Å; P516-K520 PolarHBondContact O-N 2.61Å; W517-K520 PolarHBondContact O-N 3.17Å; L518-K520 PolarHBondContact O-N 2.83Å; K520-I523 PolarHBondContact O-N 3.18Å; K520-S524 WeakPolarHBondContact CD-OG 3.27Å; K520-S524 VanDerWaalsContact CE-OG 3.28Å; K520-S524 WeakPolarHBondContact CE-OG 3.18Å; K520-S524 PolarHBondContact NZ-OG 3Å; K520-S524 VanDerWaalsContact O-CB 3.23Å; K520-S524 WeakPolarHBondContact O-CB 3.33Å; K520-S524 PolarHBondContact O-N 3.16Å; K520-S524 PolarHBondContact O-OG 3.33Å; K520-I528 HydrophobicContact CB-CD1 4.01Å; K520-I528 HydrophobicContact CG-CD1 4.02Å; K520-I528 HydrophobicContact CG-CG1 4.3Å
521S89.9Confident89Confident4 Ų453.4 Ų53.43%0.02827%0.269CS..Hα-helixtrans-68-38.6179.5-170.20000111.5W235 W517 Q525 S526W235-S521 WeakPolarHBondContact CB-OG 3.42Å; W235-S521 PolarHBondContact N-OG 3.32Å; W235-S521 VanDerWaalsContact N-OG 3.15Å; W517-S521 VanDerWaalsContact O-CB 3.24Å; W517-S521 WeakPolarHBondContact O-CB 3.49Å; W517-S521 PolarHBondContact O-N 3.26Å; S521-Q525 VanDerWaalsContact O-CA 3.29Å; S521-Q525 WeakPolarHBondContact O-CA 3.4Å; S521-Q525 PolarHBondContact O-N 2.89Å; S521-S526 PolarHBondContact OG-O 3.44Å; S521-S526 VanDerWaalsContact OG-O 3.13Å
522I93.1Very high87.1Confident95 Ų9553.1 Ų53.149%0.48727%0.268SS..Hα-helixtrans-65.2-48173.5-69.5172.6000111.3W235 L518 S524 Q525W235-I522 HydrophobicContact CB-CG1 4.15Å; L518-I522 HydrophobicContact CD1-CD1 3.65Å; L518-I522 HydrophobicContact CD1-CG1 4.22Å; L518-I522 HydrophobicContact CG-CD1 3.85Å; L518-I522 WeakPolarHBondContact O-CB 3.25Å; L518-I522 VanDerWaalsContact O-CG1 3.24Å; L518-I522 WeakPolarHBondContact O-CG1 3.39Å; L518-I522 PolarHBondContact O-N 3.42Å; I522-S524 VanDerWaalsContact C-N 3.34Å; I522-S524 PolarHBondContact O-N 2.86Å; I522-Q525 PolarHBondContact O-N 3.43Å
523I91.6Very high85.9Confident114 Ų11462.7 Ų62.759%0.58530%0.304SS*.Hα-helixtrans-66-38.6-177.6-68.9164.9000111.3F169 M519 K520F169-I523 HydrophobicContact CE1-CD1 3.85Å; F169-I523 HydrophobicContact CZ-CD1 3.98Å; M519-I523 WeakPolarHBondContact O-CB 3.42Å; M519-I523 VanDerWaalsContact O-CD1 3.32Å; M519-I523 WeakPolarHBondContact O-CD1 3.35Å; M519-I523 WeakPolarHBondContact O-CG1 3.38Å; M519-I523 PolarHBondContact O-N 3.18Å; K520-I523 PolarHBondContact O-N 3.18Å
524S87.6Confident84.7Confident41 Ų4163.2 Ų63.229%0.28731%0.31SS..Hα-helixtrans-89.1-14.3-176.2-43.30000113K520 I522 S526K520-S524 WeakPolarHBondContact CD-OG 3.27Å; K520-S524 VanDerWaalsContact CE-OG 3.28Å; K520-S524 WeakPolarHBondContact CE-OG 3.18Å; K520-S524 PolarHBondContact NZ-OG 3Å; K520-S524 VanDerWaalsContact O-CB 3.23Å; K520-S524 WeakPolarHBondContact O-CB 3.33Å; K520-S524 PolarHBondContact O-N 3.16Å; K520-S524 PolarHBondContact O-OG 3.33Å; I522-S524 VanDerWaalsContact C-N 3.34Å; I522-S524 PolarHBondContact O-N 2.86Å; S524-S526 WeakPolarHBondContact CB-OG 3.4Å; S524-S526 PolarHBondContact O-N 3.07Å; S524-S526 VanDerWaalsContact O-N 3.1Å
525Q88.2Confident83.7Confident185 Ų18564 Ų6486%0.86432%0.315SS*.THydrogen-bonded Turntrans50.727.7-173-61.4-174-24.600113.6S521 I522S521-Q525 VanDerWaalsContact O-CA 3.29Å; S521-Q525 WeakPolarHBondContact O-CA 3.4Å; S521-Q525 PolarHBondContact O-N 2.89Å; I522-Q525 PolarHBondContact O-N 3.43Å
526S86.9Confident82.9Confident57 Ų5765.1 Ų65.140%0.39932%0.32SS..SBendtrans-133.3148.3-177.966.50000109.7S521 S524S521-S526 PolarHBondContact OG-O 3.44Å; S521-S526 VanDerWaalsContact OG-O 3.13Å; S524-S526 WeakPolarHBondContact CB-OG 3.4Å; S524-S526 PolarHBondContact O-N 3.07Å; S524-S526 VanDerWaalsContact O-N 3.1Å
527P86.3Confident82.3Confident48 Ų4870.8 Ų70.831%0.31234%0.343SS..PPolyproline II helixtrans-62.5151.2169.228.5-33.6000110L232 V233 Y234L232-P527 HydrophobicContact CB-CB 4.29Å; L232-P527 HydrophobicContact CD2-CB 4.27Å; L232-P527 HydrophobicContact CD2-CG 4.28Å; V233-P527 WeakPolarHBondContact O-CA 3.27Å; Y234-P527 HydrophobicContact CD1-CB 4.2Å; Y234-P527 HydrophobicContact CE1-CB 4.16Å; Y234-P527 HydrophobicContact CE1-CG 4.42Å
528I84.3Confident81.7Confident31 Ų3171.3 Ų71.316%0.15935%0.348CS..EExtended strand (participates in β ladder)trans-90.6128.8173.6-56.5171000107.1L232 V233 W517 K520L232-I528 CarbonylContact C-O 3.6Å; L232-I528 WeakPolarHBondContact CA-O 3.47Å; V233-I528 HydrophobicContact CB-CB 4.28Å; V233-I528 PolarHBondContact N-O 3.36Å; V233-I528 PolarHBondContact O-N 2.98Å; W517-I528 HydrophobicContact CB-CD1 3.88Å; W517-I528 HydrophobicContact CG-CD1 4.06Å; K520-I528 HydrophobicContact CB-CD1 4.01Å; K520-I528 HydrophobicContact CG-CD1 4.02Å; K520-I528 HydrophobicContact CG-CG1 4.3Å
529I83.3Confident81.2Confident103 Ų10369.7 Ų69.753%0.52834%0.34SS..EExtended strand (participates in β ladder)trans-88.9129.3179.7-57.2164.5000108.2E231 L232E231-I529 CarbonylContact O-C 3.6Å; E231-I529 WeakPolarHBondContact O-CA 3.26Å; L232-I529 HydrophobicContact CD2-CB 4.46Å; L232-I529 HydrophobicContact CD2-CG1 3.73Å
530I79.3Confident80.8Confident1 Ų170.7 Ų70.71%0.00535%0.347CS..  trans-116.5132.9177.3-60.5-178.2000109.7L177 I228 E231 V233 W517 S532 L535L177-I530 HydrophobicContact CD2-CD1 3.94Å; L177-I530 HydrophobicContact CD2-CG2 3.74Å; I228-I530 HydrophobicContact CG2-CD1 4.09Å; E231-I530 VanDerWaalsContact CB-O 3.25Å; E231-I530 WeakPolarHBondContact CB-O 3.38Å; E231-I530 WeakPolarHBondContact CG-O 3.48Å; E231-I530 PolarHBondContact O-N 3.1Å; V233-I530 HydrophobicContact CG2-CD1 3.26Å; V233-I530 HydrophobicContact CG2-CG1 4.05Å; W517-I530 HydrophobicContact CH2-CD1 4.19Å; W517-I530 HydrophobicContact CZ2-CD1 3.85Å; I530-S532 PolarHBondContact O-N 2.73Å; I530-L535 HydrophobicContact CG2-CD2 3.96Å
531Y71.6Confident80.7Confident181 Ų18169.5 Ų69.571%0.7134%0.343SS*.  trans-86.799.6174.1-63.6-73.8000110.9D174D174-Y531 WeakPolarHBondContact OD2-CB 3.46Å; D174-Y531 VanDerWaalsContact OD2-CD2 3.27Å; D174-Y531 WeakPolarHBondContact OD2-CD2 3.23Å; D174-Y531 PolarHBondContact OD2-N 2.76Å
532S56.4Low80.7Confident12 Ų1269.3 Ų69.38%0.08434%0.342CS..  trans-90.1-12.6-155.3-79.60000118.9I228 E231 I530 G534 L535 L536I228-S532 PolarHBondContact O-OG 2.93Å; I228-S532 VanDerWaalsContact O-OG 3.07Å; E231-S532 WeakPolarHBondContact CG-OG 3.37Å; I530-S532 PolarHBondContact O-N 2.73Å; S532-G534 PolarHBondContact O-N 3.43Å; S532-L535 PolarHBondContact O-N 3.18Å; S532-L536 PolarHBondContact O-N 2.91Å; S532-L536 VanDerWaalsContact O-N 3.12Å
533R66.4Low80.6Confident201 Ų20168.5 Ų68.576%0.75834%0.335SS*.Hα-helixtrans-63.4-43.3-166-71.3-169.2-177.9-172.82114.2Y537R533-Y537 WeakPolarHBondContact O-CD2 3.07Å; R533-Y537 VanDerWaalsContact O-CE2 3.31Å; R533-Y537 WeakPolarHBondContact O-CE2 3.27Å
534G66.9Low80.5Confident14 Ų1466.6 Ų66.614%0.14433%0.332CS..Hα-helixtrans-71.8-38.517600000112.2S532 L536 Y537 S538S532-G534 PolarHBondContact O-N 3.43Å; G534-L536 PolarHBondContact O-N 3.22Å; G534-Y537 PolarHBondContact O-N 3Å; G534-S538 PolarHBondContact O-N 2.86Å; G534-S538 PolarHBondContact O-OG 3.4Å
535L72.3Confident80.7Confident17 Ų1764.8 Ų64.89%0.08932%0.319CS..Hα-helixtrans-63.1-41.5-174.4-174.467.4000113.1L177 V181 I228 I530 S532 Y537 S538 T539L177-L535 HydrophobicContact CD1-CD1 4.31Å; L177-L535 HydrophobicContact CD1-CD2 4.39Å; L177-L535 HydrophobicContact CD2-CD1 4.07Å; L177-L535 HydrophobicContact CD2-CD2 3.26Å; L177-L535 HydrophobicContact CD2-CG 4.28Å; L177-L535 HydrophobicContact CG-CD1 3.71Å; L177-L535 HydrophobicContact CG-CD2 3.84Å; L177-L535 HydrophobicContact CG-CG 4.43Å; V181-L535 HydrophobicContact CG2-CD1 3.79Å; I228-L535 HydrophobicContact CB-CD2 4.02Å; I228-L535 HydrophobicContact CD1-CD2 3.59Å; I228-L535 HydrophobicContact CD1-CG 3.78Å; I228-L535 HydrophobicContact CG1-CD2 4.35Å; I228-L535 HydrophobicContact CG2-CD2 3.81Å; I530-L535 HydrophobicContact CG2-CD2 3.96Å; S532-L535 PolarHBondContact O-N 3.18Å; L535-Y537 VanDerWaalsContact C-N 3.3Å; L535-Y537 PolarHBondContact O-N 3.43Å; L535-S538 PolarHBondContact O-N 3.39Å; L535-S538 VanDerWaalsContact O-N 3.14Å; L535-T539 PolarHBondContact O-N 3.03Å; L535-T539 PolarHBondContact O-OG1 3.42Å
536L76.4Confident81Confident82 Ų8256.1 Ų56.143%0.42928%0.279SS..Hα-helixtrans-59.3-41.8178.2-176.2148.2000111.6S532 G534 T539 L540S532-L536 PolarHBondContact O-N 2.91Å; S532-L536 VanDerWaalsContact O-N 3.12Å; G534-L536 PolarHBondContact O-N 3.22Å; L536-T539 PolarHBondContact O-N 3.12Å; L536-L540 HydrophobicContact CD2-CD1 3.8Å; L536-L540 HydrophobicContact CD2-CG 4.41Å; L536-L540 WeakPolarHBondContact O-CG 3.2Å; L536-L540 PolarHBondContact O-N 3.09Å; L536-L540 VanDerWaalsContact O-N 3.12Å
537Y79.5Confident81.3Confident119 Ų11957.5 Ų57.547%0.46728%0.281SS..Hα-helixtrans-64.6-41.7176.1-65.1-65.2000111.5R533 G534 L535 T539 L540 T541 V590R533-Y537 WeakPolarHBondContact O-CD2 3.07Å; R533-Y537 VanDerWaalsContact O-CE2 3.31Å; R533-Y537 WeakPolarHBondContact O-CE2 3.27Å; G534-Y537 PolarHBondContact O-N 3Å; L535-Y537 VanDerWaalsContact C-N 3.3Å; L535-Y537 PolarHBondContact O-N 3.43Å; Y537-T539 VanDerWaalsContact C-N 3.34Å; Y537-T539 PolarHBondContact O-N 3.27Å; Y537-L540 WeakPolarHBondContact O-CB 3.15Å; Y537-L540 PolarHBondContact O-N 3.34Å; Y537-L540 VanDerWaalsContact O-N 3.17Å; Y537-T541 PolarHBondContact O-N 3.12Å; Y537-V590 HydrophobicContact CD2-CG1 4.41Å
538S79.2Confident81.7Confident24 Ų2459.2 Ų59.217%0.16828%0.282CS..Hα-helixtrans-65.2-35.4176.4-51.80000112.3V181 G534 L535 L540 T541 L542V181-S538 VanDerWaalsContact CG1-CB 3.44Å; G534-S538 PolarHBondContact O-N 2.86Å; G534-S538 PolarHBondContact O-OG 3.4Å; L535-S538 PolarHBondContact O-N 3.39Å; L535-S538 VanDerWaalsContact O-N 3.14Å; S538-L540 VanDerWaalsContact C-N 3.31Å; S538-L540 PolarHBondContact O-N 2.69Å; S538-T541 PolarHBondContact O-N 3.02Å; S538-T541 PolarHBondContact O-OG1 3.3Å; S538-L542 WeakPolarHBondContact O-CG 3.42Å; S538-L542 PolarHBondContact O-N 2.98Å; S538-L542 VanDerWaalsContact O-N 3.13Å
539T83.9Confident82.1Confident7 Ų757.8 Ų57.84%0.04328%0.275CS..Hα-helixtrans-65.4-35.4172.8-50.10000112I221 A225 L535 L536 Y537 L542 F543I221-T539 HydrophobicContact CG2-CG2 3.66Å; A225-T539 HydrophobicContact CB-CG2 4Å; L535-T539 PolarHBondContact O-N 3.03Å; L535-T539 PolarHBondContact O-OG1 3.42Å; L536-T539 PolarHBondContact O-N 3.12Å; Y537-T539 VanDerWaalsContact C-N 3.34Å; Y537-T539 PolarHBondContact O-N 3.27Å; T539-L542 PolarHBondContact O-N 3.16Å; T539-F543 PolarHBondContact O-N 2.9Å
540L85Confident82.6Confident101 Ų10155.6 Ų55.653%0.52926%0.263SS..Hα-helixtrans-69.1-32.3174-66.8173.3000112.7L536 Y537 S538 F543 S544L536-L540 HydrophobicContact CD2-CD1 3.8Å; L536-L540 HydrophobicContact CD2-CG 4.41Å; L536-L540 WeakPolarHBondContact O-CG 3.2Å; L536-L540 PolarHBondContact O-N 3.09Å; L536-L540 VanDerWaalsContact O-N 3.12Å; Y537-L540 WeakPolarHBondContact O-CB 3.15Å; Y537-L540 PolarHBondContact O-N 3.34Å; Y537-L540 VanDerWaalsContact O-N 3.17Å; S538-L540 VanDerWaalsContact C-N 3.31Å; S538-L540 PolarHBondContact O-N 2.69Å; L540-F543 PolarHBondContact O-N 3.46Å; L540-S544 PolarHBondContact O-N 3.32Å; L540-S544 PolarHBondContact O-OG 2.91Å
541T86.5Confident83.3Confident22 Ų2261 Ų6114%0.13529%0.29CS..Hα-helixtrans-66.1-43.417361.30000110.7D185 Y537 S538 F543 S544 T545D185-T541 PolarHBondContact OD2-OG1 3.35Å; Y537-T541 PolarHBondContact O-N 3.12Å; S538-T541 PolarHBondContact O-N 3.02Å; S538-T541 PolarHBondContact O-OG1 3.3Å; T541-F543 VanDerWaalsContact C-N 3.31Å; T541-F543 PolarHBondContact O-N 2.95Å; T541-S544 WeakPolarHBondContact O-CA 3.41Å; T541-S544 WeakPolarHBondContact O-CB 3.3Å; T541-S544 PolarHBondContact O-N 3.24Å; T541-T545 WeakPolarHBondContact O-CG2 3.49Å; T541-T545 PolarHBondContact O-N 2.68Å; T541-T545 PolarHBondContact O-OG1 3.08Å
542L89.2Confident84.4Confident1 Ų153.1 Ų53.11%0.00526%0.262CS..Hα-helixtrans-54.6-45.6174.4-65.1-177.7000112.4V181 A184 D185 I221 S538 T539 S544 T545 V546V181-L542 HydrophobicContact CG1-CD1 4Å; V181-L542 HydrophobicContact CG1-CG 4.21Å; A184-L542 HydrophobicContact CB-CD1 4.31Å; A184-L542 HydrophobicContact CB-CD2 3.57Å; D185-L542 HydrophobicContact CB-CD2 4.38Å; D185-L542 WeakPolarHBondContact OD1-CD2 3.36Å; I221-L542 HydrophobicContact CD1-CB 3.9Å; I221-L542 HydrophobicContact CG1-CB 4.33Å; S538-L542 WeakPolarHBondContact O-CG 3.42Å; S538-L542 PolarHBondContact O-N 2.98Å; S538-L542 VanDerWaalsContact O-N 3.13Å; T539-L542 PolarHBondContact O-N 3.16Å; L542-S544 VanDerWaalsContact C-N 3.28Å; L542-S544 PolarHBondContact O-N 3.5Å; L542-T545 WeakPolarHBondContact CA-OG1 3.31Å; L542-T545 PolarHBondContact O-N 3.44Å; L542-T545 PolarHBondContact O-OG1 3.09Å; L542-V546 WeakPolarHBondContact O-CG2 3.49Å; L542-V546 PolarHBondContact O-N 2.88Å; L542-V546 VanDerWaalsContact O-N 3.14Å
543F91.1Very high86.1Confident77 Ų7752.7 Ų52.734%0.33826%0.259SS..Hα-helixtrans-60.1-42177.8-170.2-87.6000111.5L218 I221 T539 L540 T541 I547L218-F543 HydrophobicContact CD1-CD2 3.3Å; L218-F543 HydrophobicContact CD1-CE2 3.25Å; L218-F543 HydrophobicContact CD1-CG 4.17Å; L218-F543 HydrophobicContact CD1-CZ 4.07Å; L218-F543 HydrophobicContact CD2-CE2 4.15Å; L218-F543 HydrophobicContact CG-CD2 4.3Å; L218-F543 HydrophobicContact CG-CE2 3.87Å; I221-F543 HydrophobicContact CG2-CB 4.49Å; T539-F543 PolarHBondContact O-N 2.9Å; L540-F543 PolarHBondContact O-N 3.46Å; T541-F543 VanDerWaalsContact C-N 3.31Å; T541-F543 PolarHBondContact O-N 2.95Å; F543-I547 HydrophobicContact CD1-CD1 3.71Å; F543-I547 HydrophobicContact CE1-CD1 3.34Å; F543-I547 HydrophobicContact CE1-CG1 4.4Å; F543-I547 HydrophobicContact CZ-CD1 4.19Å; F543-I547 PolarHBondContact O-N 3.25Å
544S90.8Very high87.3Confident74 Ų7448.6 Ų48.652%0.51725%0.249SC..Hα-helixtrans-67.8-38.7179.6-56.60000112.2L540 T541 L542 I547 Y548L540-S544 PolarHBondContact O-N 3.32Å; L540-S544 PolarHBondContact O-OG 2.91Å; T541-S544 WeakPolarHBondContact O-CA 3.41Å; T541-S544 WeakPolarHBondContact O-CB 3.3Å; T541-S544 PolarHBondContact O-N 3.24Å; L542-S544 VanDerWaalsContact C-N 3.28Å; L542-S544 PolarHBondContact O-N 3.5Å; S544-I547 PolarHBondContact O-N 3.32Å; S544-Y548 PolarHBondContact O-N 3.44Å
545T92.3Very high88.5Confident3 Ų353.5 Ų53.52%0.01827%0.27CS..Hα-helixtrans-70.6-34.2-178.855.70000111.6D185 I188 M189 T541 L542 Y548 L549 V575D185-T545 VanDerWaalsContact OD1-CG2 3.24Å; D185-T545 WeakPolarHBondContact OD1-CG2 3.36Å; D185-T545 PolarHBondContact OD1-OG1 3.14Å; I188-T545 VanDerWaalsContact CD1-OG1 3.27Å; I188-T545 WeakPolarHBondContact CD1-OG1 3.24Å; M189-T545 HydrophobicContact CE-CG2 4.49Å; M189-T545 HydrophobicContact CG-CG2 4.4Å; M189-T545 HydrophobicContact SD-CG2 3.53Å; M189-T545 VanDerWaalsContact SD-CG2 3.53Å; T541-T545 WeakPolarHBondContact O-CG2 3.49Å; T541-T545 PolarHBondContact O-N 2.68Å; T541-T545 PolarHBondContact O-OG1 3.08Å; L542-T545 WeakPolarHBondContact CA-OG1 3.31Å; L542-T545 PolarHBondContact O-N 3.44Å; L542-T545 PolarHBondContact O-OG1 3.09Å; T545-Y548 PolarHBondContact O-N 3.03Å; T545-L549 PolarHBondContact O-N 3.36Å; T545-V575 HydrophobicContact CG2-CG1 4.17Å; T545-V575 HydrophobicContact CG2-CG2 3.95Å
546V93.6Very high89.4Confident4 Ų454.7 Ų54.72%0.02428%0.277CS..Hα-helixtrans-63.3-46.7173.4174.70000111.7I188 Y217 I221 L542 Y548 L549 L550I188-V546 HydrophobicContact CD1-CG2 3.86Å; Y217-V546 HydrophobicContact CD1-CG2 3.34Å; Y217-V546 HydrophobicContact CE1-CG2 3.12Å; Y217-V546 HydrophobicContact CG-CG2 4.49Å; I221-V546 HydrophobicContact CD1-CG2 4.01Å; L542-V546 WeakPolarHBondContact O-CG2 3.49Å; L542-V546 PolarHBondContact O-N 2.88Å; L542-V546 VanDerWaalsContact O-N 3.14Å; V546-Y548 VanDerWaalsContact C-N 3.27Å; V546-Y548 PolarHBondContact O-N 3.3Å; V546-L549 PolarHBondContact O-N 2.78Å; V546-L550 HydrophobicContact CG1-CD1 4.26Å; V546-L550 WeakPolarHBondContact O-CG 3.41Å; V546-L550 PolarHBondContact O-N 3.33Å
547I93Very high90Very high85 Ų8557.8 Ų57.844%0.43628%0.283SS..Hα-helixtrans-60.5-42.7177-67.7173.3000110.2F543 S544 L550 M551F543-I547 HydrophobicContact CD1-CD1 3.71Å; F543-I547 HydrophobicContact CE1-CD1 3.34Å; F543-I547 HydrophobicContact CE1-CG1 4.4Å; F543-I547 HydrophobicContact CZ-CD1 4.19Å; F543-I547 PolarHBondContact O-N 3.25Å; S544-I547 PolarHBondContact O-N 3.32Å; I547-L550 PolarHBondContact O-N 2.82Å; I547-M551 VanDerWaalsContact O-CB 3.28Å; I547-M551 WeakPolarHBondContact O-CB 3.36Å; I547-M551 PolarHBondContact O-N 2.59Å
548Y94.1Very high90.5Very high84 Ų8452.7 Ų52.733%0.32926%0.263SS..Hα-helixtrans-61.1-44.6176.6178.6-102.1000112.3M189 S544 T545 V546 M551 A552 A567 L568M189-Y548 HydrophobicContact CE-CD1 3.63Å; M189-Y548 HydrophobicContact CE-CE1 3.75Å; S544-Y548 PolarHBondContact O-N 3.44Å; T545-Y548 PolarHBondContact O-N 3.03Å; V546-Y548 VanDerWaalsContact C-N 3.27Å; V546-Y548 PolarHBondContact O-N 3.3Å; Y548-M551 PolarHBondContact O-N 3.02Å; Y548-A552 WeakPolarHBondContact O-CB 2.98Å; Y548-A552 PolarHBondContact O-N 3.04Å; Y548-A567 PolarHBondContact OH-O 3.25Å; Y548-L568 HydrophobicContact CD1-CD2 4.15Å; Y548-L568 HydrophobicContact CE1-CD2 3.76Å
549L93.8Very high90.9Very high2 Ų253.9 Ų53.91%0.0126%0.264CS..Hα-helixtrans-58.4-49.6176.2178.972000111.5I188 V192 L210 V502 T545 V546 A552 T553 Y564 L568I188-L549 HydrophobicContact CB-CD2 4.31Å; V192-L549 HydrophobicContact CG1-CD1 4.22Å; L210-L549 HydrophobicContact CD1-CD2 4.49Å; V502-L549 HydrophobicContact CG2-CD2 4.14Å; T545-L549 PolarHBondContact O-N 3.36Å; V546-L549 PolarHBondContact O-N 2.78Å; L549-A552 PolarHBondContact O-N 2.71Å; L549-T553 WeakPolarHBondContact O-CB 3.24Å; L549-T553 PolarHBondContact O-N 3.26Å; L549-T553 PolarHBondContact O-OG1 3.04Å; L549-Y564 WeakPolarHBondContact CD1-OH 3.41Å; L549-L568 HydrophobicContact CD1-CD1 3.93Å; L549-L568 HydrophobicContact CD1-CD2 4.05Å
550L93.5Very high91.2Very high56 Ų5653.6 Ų53.629%0.29326%0.262SS..Hα-helixtrans-63.8-43.8180-69.4175.8000111.6L210 V546 I547 T553 H554L210-L550 HydrophobicContact CD2-CD2 4.31Å; L210-L550 HydrophobicContact CG-CD2 4.09Å; V546-L550 HydrophobicContact CG1-CD1 4.26Å; V546-L550 WeakPolarHBondContact O-CG 3.41Å; V546-L550 PolarHBondContact O-N 3.33Å; I547-L550 PolarHBondContact O-N 2.82Å; L550-T553 PolarHBondContact O-N 2.89Å; L550-H554 VanDerWaalsContact O-CB 3.31Å; L550-H554 WeakPolarHBondContact O-CB 3.34Å; L550-H554 PolarHBondContact O-N 3.2Å
551M93.8Very high91.7Very high114 Ų11449.8 Ų49.856%0.56224%0.243SC*.Hα-helixtrans-64.2-46.2177.4-175.9175.5179.500111.5I547 Y548 T553 H554 I555I547-M551 VanDerWaalsContact O-CB 3.28Å; I547-M551 WeakPolarHBondContact O-CB 3.36Å; I547-M551 PolarHBondContact O-N 2.59Å; Y548-M551 PolarHBondContact O-N 3.02Å; M551-T553 VanDerWaalsContact C-N 3.32Å; M551-T553 PolarHBondContact O-N 2.61Å; M551-H554 PolarHBondContact O-N 3.35Å; M551-I555 HydrophobicContact CE-CD1 3.83Å; M551-I555 HydrophobicContact CG-CD1 3.72Å; M551-I555 HydrophobicContact CG-CG1 4.4Å; M551-I555 WeakPolarHBondContact O-CB 3Å; M551-I555 VanDerWaalsContact O-CG1 3.23Å; M551-I555 WeakPolarHBondContact O-CG1 3.42Å; M551-I555 PolarHBondContact O-N 3.2Å
552A94.6Very high92.1Very high16 Ų1654.4 Ų54.413%0.13226%0.261CS..Hα-helixtrans-61.6-40.9177.100000111.5Y548 L549 N556 Y564 L568Y548-A552 WeakPolarHBondContact O-CB 2.98Å; Y548-A552 PolarHBondContact O-N 3.04Å; L549-A552 PolarHBondContact O-N 2.71Å; A552-N556 VanDerWaalsContact O-CB 3.28Å; A552-N556 WeakPolarHBondContact O-CB 3.3Å; A552-N556 PolarHBondContact O-N 3.02Å; A552-Y564 HydrophobicContact CB-CE2 4.09Å; A552-L568 HydrophobicContact CB-CD2 3.99Å
553T92.6Very high92.4Very high3 Ų359 Ų592%0.01829%0.289CS..Hα-helixtrans-65.9-44.8177.6-55.60000111.4L205 L210 L549 L550 M551 N556 R557 W558 Y564L205-T553 HydrophobicContact CD1-CG2 4.29Å; L210-T553 HydrophobicContact CD2-CG2 3.7Å; L549-T553 WeakPolarHBondContact O-CB 3.24Å; L549-T553 PolarHBondContact O-N 3.26Å; L549-T553 PolarHBondContact O-OG1 3.04Å; L550-T553 PolarHBondContact O-N 2.89Å; M551-T553 VanDerWaalsContact C-N 3.32Å; M551-T553 PolarHBondContact O-N 2.61Å; T553-N556 CarbonylContact O-C 3.58Å; T553-N556 PolarHBondContact O-N 3.37Å; T553-R557 PolarHBondContact O-N 2.92Å; T553-W558 HydrophobicContact CG2-CD2 3.97Å; T553-W558 HydrophobicContact CG2-CE3 3.64Å; T553-W558 HydrophobicContact CG2-CG 4.48Å; T553-W558 HydrophobicContact CG2-CZ3 3.99Å; T553-W558 PolarHBondContact O-N 3.14Å; T553-Y564 PolarHBondContact OG1-OH 3.17Å
554H90.6Very high92.5Very high116 Ų11655.6 Ų55.654%0.53727%0.274SS..Hα-helixtrans-64.4-46.3178.4-175.8-88.9000111.8L550 M551 N556 R557 W558L550-H554 VanDerWaalsContact O-CB 3.31Å; L550-H554 WeakPolarHBondContact O-CB 3.34Å; L550-H554 PolarHBondContact O-N 3.2Å; M551-H554 PolarHBondContact O-N 3.35Å; H554-N556 VanDerWaalsContact C-N 3.27Å; H554-N556 PolarHBondContact O-N 2.81Å; H554-R557 PolarHBondContact O-N 2.96Å; H554-W558 AromaticContact CD2-NE1 3.86Å
555I92Very high92.8Very high116 Ų11652 Ų5260%0.59525%0.249SC*.Hα-helixtrans-60.5-39.8175.4-69.5169.1000110.6M551 R557M551-I555 HydrophobicContact CE-CD1 3.83Å; M551-I555 HydrophobicContact CG-CD1 3.72Å; M551-I555 HydrophobicContact CG-CG1 4.4Å; M551-I555 WeakPolarHBondContact O-CB 3Å; M551-I555 VanDerWaalsContact O-CG1 3.23Å; M551-I555 WeakPolarHBondContact O-CG1 3.42Å; M551-I555 PolarHBondContact O-N 3.2Å; I555-R557 PolarHBondContact O-N 3.42Å; I555-R557 VanDerWaalsContact O-N 3.14Å
556N92Very high93Very high43 Ų4358.1 Ų58.123%0.2327%0.273CS..THydrogen-bonded Turntrans-8016.8176.8-154.261.8000113.9A552 T553 H554 W558 R559 T561 Y564A552-N556 VanDerWaalsContact O-CB 3.28Å; A552-N556 WeakPolarHBondContact O-CB 3.3Å; A552-N556 PolarHBondContact O-N 3.02Å; T553-N556 CarbonylContact O-C 3.58Å; T553-N556 PolarHBondContact O-N 3.37Å; H554-N556 VanDerWaalsContact C-N 3.27Å; H554-N556 PolarHBondContact O-N 2.81Å; N556-W558 PolarHBondContact O-N 2.94Å; N556-W558 VanDerWaalsContact O-N 3.13Å; N556-R559 PolarHBondContact ND2-O 3.46Å; N556-R559 PolarHBondContact O-N 3.38Å; N556-R559 VanDerWaalsContact O-N 3.14Å; N556-T561 PolarHBondContact ND2-OG1 3.35Å; N556-Y564 HydrophobicContact CB-CD2 3.88Å; N556-Y564 HydrophobicContact CB-CG 4.45Å; N556-Y564 WeakPolarHBondContact ND2-CB 3.47Å
557R88.8Confident93.1Very high147 Ų14759.9 Ų59.956%0.55529%0.288SS*.THydrogen-bonded Turntrans52.336.7175-56-174.8176-174.8-1.6113.3T553 H554 I555 R559T553-R557 PolarHBondContact O-N 2.92Å; H554-R557 PolarHBondContact O-N 2.96Å; I555-R557 PolarHBondContact O-N 3.42Å; I555-R557 VanDerWaalsContact O-N 3.14Å; R557-R559 PolarHBondContact O-N 3.44Å
558W89.8Confident93.2Very high12 Ų1255.9 Ų55.95%0.04527%0.267CS..THydrogen-bonded Turntrans6029.6177-55.782.4000113.7L205 W207 L210 V211 P274 T553 H554 N556L205-W558 PolarHBondContact N-O 3.12Å; W207-W558 HydrophobicContact CB-CD2 3.98Å; W207-W558 HydrophobicContact CB-CE3 3.8Å; W207-W558 HydrophobicContact CB-CH2 3.7Å; W207-W558 HydrophobicContact CB-CZ2 3.87Å; W207-W558 HydrophobicContact CB-CZ3 3.67Å; L210-W558 HydrophobicContact CB-CZ3 3.95Å; L210-W558 HydrophobicContact CD2-CE3 4.3Å; L210-W558 HydrophobicContact CD2-CH2 4.25Å; L210-W558 HydrophobicContact CD2-CZ3 3.57Å; L210-W558 HydrophobicContact CG-CZ3 4.2Å; V211-W558 HydrophobicContact CG2-CH2 3.97Å; P274-W558 HydrophobicContact CB-CZ2 4.2Å; P274-W558 HydrophobicContact CG-CZ2 3.73Å; T553-W558 HydrophobicContact CG2-CD2 3.97Å; T553-W558 HydrophobicContact CG2-CE3 3.64Å; T553-W558 HydrophobicContact CG2-CG 4.48Å; T553-W558 HydrophobicContact CG2-CZ3 3.99Å; T553-W558 PolarHBondContact O-N 3.14Å; H554-W558 AromaticContact CD2-NE1 3.86Å; N556-W558 PolarHBondContact O-N 2.94Å; N556-W558 VanDerWaalsContact O-N 3.13Å
559R88.8Confident93.3Very high49 Ų4954.1 Ų54.119%0.18526%0.263CS..EExtended strand (participates in β ladder)trans-105.6125.5174.5-62.1-178.7-178.7-172.6-6.7109.5V202 Y204 D280 N556 R557 T561V202-R559 HydrophobicContact CG1-CB 4.01Å; Y204-R559 HydrophobicContact CD1-CG 3.83Å; Y204-R559 HydrophobicContact CE1-CG 3.75Å; Y204-R559 VanDerWaalsContact CE1-NE 3.27Å; D280-R559 IonicContact OD2-NH1 3.97Å; D280-R559 IonicContact OD2-NH2 4Å; D280-R559 PolarHBondContact OD2-NH2 3.47Å; N556-R559 PolarHBondContact ND2-O 3.46Å; N556-R559 PolarHBondContact O-N 3.38Å; N556-R559 VanDerWaalsContact O-N 3.14Å; R557-R559 PolarHBondContact O-N 3.44Å; R559-T561 HydrophobicContact CB-CG2 3.85Å; R559-T561 PolarHBondContact O-N 2.81Å; R559-T561 VanDerWaalsContact O-N 3.11Å
560L90.6Very high93.3Very high1 Ų159 Ų591%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-78.195.7169.9-162.674.9000108.8A196 I203 L205 V489 V498 Y564A196-L560 HydrophobicContact CB-CD1 3.7Å; A196-L560 HydrophobicContact CB-CG 3.82Å; I203-L560 HydrophobicContact CB-CB 4.2Å; I203-L560 HydrophobicContact CD1-CD2 4.43Å; I203-L560 PolarHBondContact N-O 3.44Å; I203-L560 WeakPolarHBondContact O-CB 3.37Å; I203-L560 PolarHBondContact O-N 3.36Å; L205-L560 HydrophobicContact CD1-CB 4.49Å; L205-L560 HydrophobicContact CD1-CD1 4.28Å; L205-L560 HydrophobicContact CG-CB 4.37Å; V489-L560 HydrophobicContact CG2-CD2 3.66Å; V498-L560 HydrophobicContact CG2-CD1 4.42Å; L560-Y564 HydrophobicContact CD1-CD1 3.9Å; L560-Y564 HydrophobicContact CD1-CE1 3.64Å
561T94.2Very high93.3Very high21 Ų2156.7 Ų56.713%0.12928%0.278CS..  trans-117160.1-177.562.90000111.2V202 N556 R559 T563 Y564 G565V202-T561 HydrophobicContact CG1-CG2 3.76Å; V202-T561 HydrophobicContact CG2-CG2 4.1Å; N556-T561 PolarHBondContact ND2-OG1 3.35Å; R559-T561 HydrophobicContact CB-CG2 3.85Å; R559-T561 PolarHBondContact O-N 2.81Å; R559-T561 VanDerWaalsContact O-N 3.11Å; T561-T563 VanDerWaalsContact C-N 3.27Å; T561-T563 PolarHBondContact O-N 3.16Å; T561-T563 PolarHBondContact OG1-OG1 3.16Å; T561-Y564 WeakPolarHBondContact O-CB 3.42Å; T561-Y564 PolarHBondContact O-N 3.17Å; T561-Y564 WeakPolarHBondContact OG1-CB 3.48Å; T561-Y564 PolarHBondContact OG1-N 3.08Å; T561-G565 PolarHBondContact O-N 3.43Å
562K94.9Very high93.2Very high118 Ų11852.1 Ų52.151%0.51326%0.255SS..Hα-helixtrans-62.5-34.5175.1-64.1-175.7178.9176.90112.7L197 G565 Y566L197-K562 HydrophobicContact CD2-CB 4.39Å; K562-G565 PolarHBondContact O-N 3.24Å; K562-Y566 HydrophobicContact CB-CE2 4.45Å; K562-Y566 WeakPolarHBondContact O-CD2 3.04Å; K562-Y566 PolarHBondContact O-N 3.45Å
563T94.8Very high93Very high98 Ų9855.4 Ų55.460%0.60127%0.269SS*.Hα-helixtrans-64.7-41.9175.842.90000111.7T561 G565 Y566 A567T561-T563 VanDerWaalsContact C-N 3.27Å; T561-T563 PolarHBondContact O-N 3.16Å; T561-T563 PolarHBondContact OG1-OG1 3.16Å; T563-G565 VanDerWaalsContact C-N 3.34Å; T563-Y566 PolarHBondContact O-N 3.11Å; T563-A567 PolarHBondContact O-N 2.66Å
564Y94.8Very high93Very high5 Ų560.6 Ų60.62%0.0230%0.296CS..Hα-helixtrans-59.9-44.4170.8167.9-97.5000111.7V192 A196 L549 A552 T553 N556 L560 T561 Y566 A567 L568V192-Y564 HydrophobicContact CG1-CE1 3.91Å; A196-Y564 HydrophobicContact CB-CD1 3.97Å; A196-Y564 HydrophobicContact CB-CE1 4.46Å; L549-Y564 WeakPolarHBondContact CD1-OH 3.41Å; A552-Y564 HydrophobicContact CB-CE2 4.09Å; T553-Y564 PolarHBondContact OG1-OH 3.17Å; N556-Y564 HydrophobicContact CB-CD2 3.88Å; N556-Y564 HydrophobicContact CB-CG 4.45Å; N556-Y564 WeakPolarHBondContact ND2-CB 3.47Å; L560-Y564 HydrophobicContact CD1-CD1 3.9Å; L560-Y564 HydrophobicContact CD1-CE1 3.64Å; T561-Y564 WeakPolarHBondContact O-CB 3.42Å; T561-Y564 PolarHBondContact O-N 3.17Å; T561-Y564 WeakPolarHBondContact OG1-CB 3.48Å; T561-Y564 PolarHBondContact OG1-N 3.08Å; Y564-Y566 PolarHBondContact O-N 3.1Å; Y564-A567 WeakPolarHBondContact O-CB 3.36Å; Y564-A567 PolarHBondContact O-N 3.06Å; Y564-A567 VanDerWaalsContact O-N 3.15Å; Y564-L568 HydrophobicContact CD1-CD1 4.28Å; Y564-L568 HydrophobicContact CE1-CD1 3.53Å; Y564-L568 HydrophobicContact CE1-CG 4.27Å; Y564-L568 HydrophobicContact CE2-CD1 4.11Å; Y564-L568 HydrophobicContact CE2-CD2 4.39Å; Y564-L568 HydrophobicContact CE2-CG 4.16Å; Y564-L568 VanDerWaalsContact CZ-CD1 3.45Å; Y564-L568 PolarHBondContact O-N 3.38Å; Y564-L568 WeakPolarHBondContact OH-CD1 3.29Å
565G96.1Very high92.9Very high0 Ų056.5 Ų56.50%028%0.279CS..Hα-helixtrans-56.8-47.1173.900000113.1S193 T561 K562 T563 A567 L568 L569S193-G565 WeakPolarHBondContact CB-O 3.3Å; T561-G565 PolarHBondContact O-N 3.43Å; K562-G565 PolarHBondContact O-N 3.24Å; T563-G565 VanDerWaalsContact C-N 3.34Å; G565-A567 VanDerWaalsContact C-N 3.34Å; G565-A567 PolarHBondContact O-N 3.13Å; G565-L568 PolarHBondContact O-N 3.12Å; G565-L569 WeakPolarHBondContact O-CB 3.06Å; G565-L569 PolarHBondContact O-N 3.28Å
566Y96.5Very high92.6Very high131 Ų13153 Ų5351%0.51426%0.261SS..Hα-helixtrans-63.1-37.6175.2-70.6-59.1000113.1L197 K562 T563 Y564 L569 I570L197-Y566 HydrophobicContact CD1-CD1 4.45Å; L197-Y566 HydrophobicContact CD1-CE1 4.34Å; L197-Y566 HydrophobicContact CD2-CD1 3.78Å; L197-Y566 HydrophobicContact CD2-CD2 3.87Å; L197-Y566 HydrophobicContact CD2-CE1 3.59Å; L197-Y566 HydrophobicContact CD2-CE2 3.69Å; L197-Y566 HydrophobicContact CD2-CG 3.91Å; K562-Y566 HydrophobicContact CB-CE2 4.45Å; K562-Y566 WeakPolarHBondContact O-CD2 3.04Å; K562-Y566 PolarHBondContact O-N 3.45Å; T563-Y566 PolarHBondContact O-N 3.11Å; Y564-Y566 PolarHBondContact O-N 3.1Å; Y566-L569 PolarHBondContact O-N 3.43Å; Y566-I570 VanDerWaalsContact O-CG1 3.29Å; Y566-I570 WeakPolarHBondContact O-CG1 3.4Å; Y566-I570 PolarHBondContact O-N 2.81Å
567A95.8Very high92.4Very high40 Ų4054.8 Ų54.833%0.33127%0.273SS..Hα-helixtrans-63.7-44.3177.200000111.9Y548 T563 Y564 G565 I570 G571Y548-A567 PolarHBondContact OH-O 3.25Å; T563-A567 PolarHBondContact O-N 2.66Å; Y564-A567 WeakPolarHBondContact O-CB 3.36Å; Y564-A567 PolarHBondContact O-N 3.06Å; Y564-A567 VanDerWaalsContact O-N 3.15Å; G565-A567 VanDerWaalsContact C-N 3.34Å; G565-A567 PolarHBondContact O-N 3.13Å; A567-I570 PolarHBondContact O-N 2.91Å; A567-G571 PolarHBondContact O-N 3.11Å; A567-G571 VanDerWaalsContact O-N 3.09Å
568L95.6Very high92.3Very high1 Ų152.4 Ų52.41%0.00527%0.267CS..Hα-helixtrans-63.8-42.7174.4-70.6-174.3000112.2V192 Y548 L549 A552 Y564 G565 I570 G571 Y572V192-L568 HydrophobicContact CB-CD1 3.92Å; V192-L568 HydrophobicContact CG1-CD1 3.55Å; Y548-L568 HydrophobicContact CD1-CD2 4.15Å; Y548-L568 HydrophobicContact CE1-CD2 3.76Å; L549-L568 HydrophobicContact CD1-CD1 3.93Å; L549-L568 HydrophobicContact CD1-CD2 4.05Å; A552-L568 HydrophobicContact CB-CD2 3.99Å; Y564-L568 HydrophobicContact CD1-CD1 4.28Å; Y564-L568 HydrophobicContact CE1-CD1 3.53Å; Y564-L568 HydrophobicContact CE1-CG 4.27Å; Y564-L568 HydrophobicContact CE2-CD1 4.11Å; Y564-L568 HydrophobicContact CE2-CD2 4.39Å; Y564-L568 HydrophobicContact CE2-CG 4.16Å; Y564-L568 VanDerWaalsContact CZ-CD1 3.45Å; Y564-L568 PolarHBondContact O-N 3.38Å; Y564-L568 WeakPolarHBondContact OH-CD1 3.29Å; G565-L568 PolarHBondContact O-N 3.12Å; L568-I570 VanDerWaalsContact C-N 3.35Å; L568-I570 PolarHBondContact O-N 3.35Å; L568-G571 PolarHBondContact O-N 2.78Å; L568-Y572 WeakPolarHBondContact O-CB 3.46Å; L568-Y572 PolarHBondContact O-N 3.1Å
569L95.1Very high91.9Very high47 Ų4752.9 Ų52.925%0.24627%0.272CS..Hα-helixtrans-62.5-40.2179.1-176.564.9000112.4L190 L197 G565 Y566 Y572 I573L190-L569 HydrophobicContact CD1-CD1 3.69Å; L197-L569 HydrophobicContact CD1-CD2 4.27Å; G565-L569 WeakPolarHBondContact O-CB 3.06Å; G565-L569 PolarHBondContact O-N 3.28Å; Y566-L569 PolarHBondContact O-N 3.43Å; L569-Y572 HydrophobicContact CD1-CD1 4.28Å; L569-Y572 WeakPolarHBondContact O-CB 3.5Å; L569-Y572 PolarHBondContact O-N 2.99Å; L569-I573 HydrophobicContact CG-CD1 4.33Å; L569-I573 WeakPolarHBondContact O-CG1 3.43Å; L569-I573 PolarHBondContact O-N 3.22Å
570I94.9Very high91.6Very high104 Ų10451.5 Ų51.553%0.53327%0.27SS..Hα-helixtrans-65.2-45.9175.4-69.4165.4000110.4Y566 A567 L568 Y572 I573 I574Y566-I570 VanDerWaalsContact O-CG1 3.29Å; Y566-I570 WeakPolarHBondContact O-CG1 3.4Å; Y566-I570 PolarHBondContact O-N 2.81Å; A567-I570 PolarHBondContact O-N 2.91Å; L568-I570 VanDerWaalsContact C-N 3.35Å; L568-I570 PolarHBondContact O-N 3.35Å; I570-Y572 VanDerWaalsContact C-N 3.26Å; I570-Y572 PolarHBondContact O-N 3.43Å; I570-I573 PolarHBondContact O-N 2.91Å; I570-I574 HydrophobicContact CG2-CD1 4.05Å; I570-I574 WeakPolarHBondContact O-CG1 3.41Å; I570-I574 PolarHBondContact O-N 2.84Å; I570-I574 VanDerWaalsContact O-N 3.08Å
571G92.6Very high91.3Very high8 Ų854.3 Ų54.38%0.08229%0.285CS..Hα-helixtrans-56.5-43.9175.400000111.6A567 L568 I574 V575A567-G571 PolarHBondContact O-N 3.11Å; A567-G571 VanDerWaalsContact O-N 3.09Å; L568-G571 PolarHBondContact O-N 2.78Å; G571-I574 WeakPolarHBondContact O-CB 3.33Å; G571-I574 PolarHBondContact O-N 3.43Å; G571-V575 WeakPolarHBondContact O-CG2 3.1Å; G571-V575 PolarHBondContact O-N 3.13Å
572Y91.6Very high90.6Very high18 Ų1856.6 Ų56.67%0.07129%0.291CS..Hα-helixtrans-61-46.6178.1167.6-104.6000112.1F186 M189 L190 L568 L569 I570 I574 V575 L576F186-Y572 HydrophobicContact CD1-CE2 4.16Å; F186-Y572 HydrophobicContact CD2-CE2 4.02Å; F186-Y572 HydrophobicContact CE1-CE2 4.2Å; F186-Y572 AromaticContact CE1-CZ 3.69Å; F186-Y572 WeakPolarHBondContact CE1-OH 3.26Å; F186-Y572 HydrophobicContact CE2-CE2 4.07Å; F186-Y572 WeakPolarHBondContact CE2-OH 3.5Å; F186-Y572 HydrophobicContact CG-CE2 4.1Å; F186-Y572 HydrophobicContact CZ-CE2 4.2Å; F186-Y572 AromaticContact CZ-CZ 3.8Å; F186-Y572 WeakPolarHBondContact CZ-OH 3.28Å; M189-Y572 HydrophobicContact CB-CD2 4.06Å; M189-Y572 HydrophobicContact CB-CG 4.23Å; M189-Y572 HydrophobicContact SD-CD2 4.42Å; L190-Y572 HydrophobicContact CB-CD1 4.45Å; L190-Y572 HydrophobicContact CB-CD2 4.38Å; L190-Y572 HydrophobicContact CB-CE1 4.48Å; L190-Y572 HydrophobicContact CB-CE2 4.4Å; L190-Y572 HydrophobicContact CB-CG 4.41Å; L190-Y572 HydrophobicContact CD1-CD1 4.09Å; L190-Y572 HydrophobicContact CD1-CE1 4.1Å; L568-Y572 WeakPolarHBondContact O-CB 3.46Å; L568-Y572 PolarHBondContact O-N 3.1Å; L569-Y572 HydrophobicContact CD1-CD1 4.28Å; L569-Y572 WeakPolarHBondContact O-CB 3.5Å; L569-Y572 PolarHBondContact O-N 2.99Å; I570-Y572 VanDerWaalsContact C-N 3.26Å; I570-Y572 PolarHBondContact O-N 3.43Å; Y572-I574 VanDerWaalsContact C-N 3.26Å; Y572-I574 PolarHBondContact O-N 3.26Å; Y572-V575 PolarHBondContact O-N 2.89Å; Y572-L576 HydrophobicContact CE1-CD2 4.21Å; Y572-L576 HydrophobicContact CE2-CD1 4.43Å; Y572-L576 VanDerWaalsContact O-CB 3.29Å; Y572-L576 WeakPolarHBondContact O-CB 3.21Å; Y572-L576 PolarHBondContact O-N 2.98Å; Y572-L576 WeakPolarHBondContact OH-CD1 3.16Å
573I91.9Very high89.6Confident85 Ų8552.4 Ų52.444%0.43627%0.274SS..Hα-helixtrans-60.5-37.8177.2-68.1165.9000111L569 I570 V577L569-I573 HydrophobicContact CG-CD1 4.33Å; L569-I573 WeakPolarHBondContact O-CG1 3.43Å; L569-I573 PolarHBondContact O-N 3.22Å; I570-I573 PolarHBondContact O-N 2.91Å; I573-V577 HydrophobicContact CG2-CG2 4.45Å; I573-V577 WeakPolarHBondContact O-CB 3.37Å; I573-V577 VanDerWaalsContact O-CG2 3.24Å; I573-V577 WeakPolarHBondContact O-CG2 3.29Å; I573-V577 PolarHBondContact O-N 3.25Å
574I91.3Very high88.9Confident112 Ų11251.6 Ų51.657%0.57427%0.265SS*.Hα-helixtrans-64.1-48.7176.9-66.9165.3000110.7I570 G571 Y572 L576 V577 F578I570-I574 HydrophobicContact CG2-CD1 4.05Å; I570-I574 WeakPolarHBondContact O-CG1 3.41Å; I570-I574 PolarHBondContact O-N 2.84Å; I570-I574 VanDerWaalsContact O-N 3.08Å; G571-I574 WeakPolarHBondContact O-CB 3.33Å; G571-I574 PolarHBondContact O-N 3.43Å; Y572-I574 VanDerWaalsContact C-N 3.26Å; Y572-I574 PolarHBondContact O-N 3.26Å; I574-L576 VanDerWaalsContact C-N 3.35Å; I574-V577 PolarHBondContact O-N 2.78Å; I574-F578 WeakPolarHBondContact O-CB 3.42Å; I574-F578 PolarHBondContact O-N 2.8Å
575V88.8Confident88.1Confident30 Ų3053.7 Ų53.718%0.18228%0.277CS..Hα-helixtrans-60.8-45.8177.4173.70000110.4M189 T545 G571 Y572 V577 F578 C579M189-V575 HydrophobicContact CE-CG2 4.27Å; M189-V575 HydrophobicContact SD-CB 4.35Å; M189-V575 HydrophobicContact SD-CG2 4.05Å; T545-V575 HydrophobicContact CG2-CG1 4.17Å; T545-V575 HydrophobicContact CG2-CG2 3.95Å; G571-V575 WeakPolarHBondContact O-CG2 3.1Å; G571-V575 PolarHBondContact O-N 3.13Å; Y572-V575 PolarHBondContact O-N 2.89Å; V575-V577 VanDerWaalsContact C-N 3.35Å; V575-V577 PolarHBondContact O-N 2.99Å; V575-F578 WeakPolarHBondContact O-CB 3.49Å; V575-F578 PolarHBondContact O-N 3Å; V575-F578 VanDerWaalsContact O-N 3.12Å; V575-C579 PolarHBondContact O-N 3.17Å; V575-C579 PolarHBondContact O-SG 3.23Å
576L86.7Confident87.4Confident44 Ų4461.9 Ų61.923%0.2331%0.309CS..Hα-helixtrans-57.6-45.6178.3-169.871.3000112.4F186 T471 Y572 I574 S580F186-L576 HydrophobicContact CE2-CD1 4.1Å; F186-L576 HydrophobicContact CZ-CD1 4.15Å; T471-L576 HydrophobicContact CG2-CD1 3.51Å; T471-L576 HydrophobicContact CG2-CD2 4.4Å; T471-L576 HydrophobicContact CG2-CG 4.11Å; Y572-L576 HydrophobicContact CE1-CD2 4.21Å; Y572-L576 HydrophobicContact CE2-CD1 4.43Å; Y572-L576 VanDerWaalsContact O-CB 3.29Å; Y572-L576 WeakPolarHBondContact O-CB 3.21Å; Y572-L576 PolarHBondContact O-N 2.98Å; Y572-L576 WeakPolarHBondContact OH-CD1 3.16Å; I574-L576 VanDerWaalsContact C-N 3.35Å; L576-S580 VanDerWaalsContact O-CB 3.29Å; L576-S580 WeakPolarHBondContact O-CB 3.21Å; L576-S580 PolarHBondContact O-N 2.86Å; L576-S580 PolarHBondContact O-OG 3.48Å
577V88.2Confident86.5Confident80 Ų8061.2 Ų61.249%0.48531%0.309SS..Hα-helixtrans-64-43.3176.9169.40000110.3I573 I574 V575 S580 L581I573-V577 HydrophobicContact CG2-CG2 4.45Å; I573-V577 WeakPolarHBondContact O-CB 3.37Å; I573-V577 VanDerWaalsContact O-CG2 3.24Å; I573-V577 WeakPolarHBondContact O-CG2 3.29Å; I573-V577 PolarHBondContact O-N 3.25Å; I574-V577 PolarHBondContact O-N 2.78Å; V575-V577 VanDerWaalsContact C-N 3.35Å; V575-V577 PolarHBondContact O-N 2.99Å; V577-S580 PolarHBondContact O-N 3.2Å; V577-L581 HydrophobicContact CG1-CD1 4.02Å; V577-L581 HydrophobicContact CG1-CG 4.45Å; V577-L581 VanDerWaalsContact O-CG 3.26Å; V577-L581 WeakPolarHBondContact O-CG 3.46Å; V577-L581 PolarHBondContact O-N 3.4Å
578F85.8Confident85.4Confident96 Ų9661 Ų6142%0.42131%0.311SS..Hα-helixtrans-61.6-52.6177.6-172.9-98.5000111.4I574 V575 S580 L581 Y582I574-F578 WeakPolarHBondContact O-CB 3.42Å; I574-F578 PolarHBondContact O-N 2.8Å; V575-F578 WeakPolarHBondContact O-CB 3.49Å; V575-F578 PolarHBondContact O-N 3Å; V575-F578 VanDerWaalsContact O-N 3.12Å; F578-S580 VanDerWaalsContact C-N 3.3Å; F578-S580 PolarHBondContact O-N 2.92Å; F578-L581 PolarHBondContact O-N 2.7Å; F578-L581 VanDerWaalsContact O-N 3.08Å; F578-Y582 AromaticContact CD1-CD2 3.88Å; F578-Y582 HydrophobicContact CD1-CD2 3.88Å; F578-Y582 AromaticContact CD1-CE2 3.84Å; F578-Y582 HydrophobicContact CD1-CE2 3.84Å; F578-Y582 HydrophobicContact CD2-CD2 4.43Å; F578-Y582 HydrophobicContact CD2-CE2 4Å; F578-Y582 AromaticContact CE1-CD2 3.7Å; F578-Y582 HydrophobicContact CE1-CD2 3.7Å; F578-Y582 AromaticContact CE1-CE2 3.24Å; F578-Y582 HydrophobicContact CE1-CE2 3.24Å; F578-Y582 AromaticContact CE1-CZ 3.9Å; F578-Y582 HydrophobicContact CE2-CD2 4.29Å; F578-Y582 AromaticContact CE2-CE2 3.45Å; F578-Y582 HydrophobicContact CE2-CE2 3.45Å; F578-Y582 VanDerWaalsContact CE2-CE2 3.45Å; F578-Y582 HydrophobicContact CG-CD2 4.27Å; F578-Y582 HydrophobicContact CG-CE2 4.2Å; F578-Y582 AromaticContact CZ-CD2 3.95Å; F578-Y582 HydrophobicContact CZ-CD2 3.95Å; F578-Y582 AromaticContact CZ-CE2 3.05Å; F578-Y582 HydrophobicContact CZ-CE2 3.05Å; F578-Y582 AromaticContact CZ-CZ 3.6Å; F578-Y582 WeakPolarHBondContact CZ-OH 3.28Å; F578-Y582 WeakPolarHBondContact O-CD2 3.36Å; F578-Y582 PolarHBondContact O-N 2.96Å
579C81.5Confident84.1Confident22 Ų2267.4 Ų67.415%0.14935%0.35CS..Hα-helixtrans-57.6-43.2177.1-63.40000111.5V575 L581 Y582 E583V575-C579 PolarHBondContact O-N 3.17Å; V575-C579 PolarHBondContact O-SG 3.23Å; C579-L581 VanDerWaalsContact C-N 3.33Å; C579-L581 PolarHBondContact O-N 3.44Å; C579-Y582 PolarHBondContact O-N 3.48Å; C579-E583 WeakPolarHBondContact O-CB 3.2Å; C579-E583 WeakPolarHBondContact O-CG 3.47Å; C579-E583 PolarHBondContact O-N 3.49Å
580S82Confident82.8Confident20 Ų2067.3 Ų67.314%0.1435%0.351CS..Hα-helixtrans-62.2-37.8176.8-58.60000112.7L576 V577 F578 L584L576-S580 VanDerWaalsContact O-CB 3.29Å; L576-S580 WeakPolarHBondContact O-CB 3.21Å; L576-S580 PolarHBondContact O-N 2.86Å; L576-S580 PolarHBondContact O-OG 3.48Å; V577-S580 PolarHBondContact O-N 3.2Å; F578-S580 VanDerWaalsContact C-N 3.3Å; F578-S580 PolarHBondContact O-N 2.92Å; S580-L584 WeakPolarHBondContact O-CB 3.39Å; S580-L584 WeakPolarHBondContact O-CG 3.44Å; S580-L584 PolarHBondContact O-N 2.94Å
581L84.6Confident81.4Confident60 Ų6065.4 Ų65.431%0.31434%0.34SS..Hα-helixtrans-69.6-37177.5-72.2171.2000112.4V577 F578 C579 Y586 F587V577-L581 HydrophobicContact CG1-CD1 4.02Å; V577-L581 HydrophobicContact CG1-CG 4.45Å; V577-L581 VanDerWaalsContact O-CG 3.26Å; V577-L581 WeakPolarHBondContact O-CG 3.46Å; V577-L581 PolarHBondContact O-N 3.4Å; F578-L581 PolarHBondContact O-N 2.7Å; F578-L581 VanDerWaalsContact O-N 3.08Å; C579-L581 VanDerWaalsContact C-N 3.33Å; C579-L581 PolarHBondContact O-N 3.44Å; L581-Y586 HydrophobicContact CD2-CG 4.34Å; L581-Y586 WeakPolarHBondContact O-CB 2.88Å; L581-Y586 PolarHBondContact O-N 3.28Å; L581-F587 HydrophobicContact CB-CD2 4.43Å; L581-F587 HydrophobicContact CB-CE2 3.8Å; L581-F587 HydrophobicContact CD1-CE2 4.44Å
582Y78.7Confident80.2Confident69 Ų6969 Ų6927%0.27136%0.356SS..Hα-helixtrans-62.8-45.1173.5-90.9-97.1000111.5F578 C579 N585 F587F578-Y582 AromaticContact CD1-CD2 3.88Å; F578-Y582 HydrophobicContact CD1-CD2 3.88Å; F578-Y582 AromaticContact CD1-CE2 3.84Å; F578-Y582 HydrophobicContact CD1-CE2 3.84Å; F578-Y582 HydrophobicContact CD2-CD2 4.43Å; F578-Y582 HydrophobicContact CD2-CE2 4Å; F578-Y582 AromaticContact CE1-CD2 3.7Å; F578-Y582 HydrophobicContact CE1-CD2 3.7Å; F578-Y582 AromaticContact CE1-CE2 3.24Å; F578-Y582 HydrophobicContact CE1-CE2 3.24Å; F578-Y582 AromaticContact CE1-CZ 3.9Å; F578-Y582 HydrophobicContact CE2-CD2 4.29Å; F578-Y582 AromaticContact CE2-CE2 3.45Å; F578-Y582 HydrophobicContact CE2-CE2 3.45Å; F578-Y582 VanDerWaalsContact CE2-CE2 3.45Å; F578-Y582 HydrophobicContact CG-CD2 4.27Å; F578-Y582 HydrophobicContact CG-CE2 4.2Å; F578-Y582 AromaticContact CZ-CD2 3.95Å; F578-Y582 HydrophobicContact CZ-CD2 3.95Å; F578-Y582 AromaticContact CZ-CE2 3.05Å; F578-Y582 HydrophobicContact CZ-CE2 3.05Å; F578-Y582 AromaticContact CZ-CZ 3.6Å; F578-Y582 WeakPolarHBondContact CZ-OH 3.28Å; F578-Y582 WeakPolarHBondContact O-CD2 3.36Å; F578-Y582 PolarHBondContact O-N 2.96Å; C579-Y582 PolarHBondContact O-N 3.48Å; Y582-N585 WeakPolarHBondContact O-CA 3.2Å; Y582-N585 PolarHBondContact O-N 2.95Å; Y582-F587 AromaticContact CD2-CD2 3.69Å; Y582-F587 HydrophobicContact CD2-CD2 3.69Å; Y582-F587 AromaticContact CD2-CE2 3.97Å; Y582-F587 HydrophobicContact CD2-CE2 3.97Å; Y582-F587 AromaticContact CE2-CD2 3.52Å; Y582-F587 HydrophobicContact CE2-CD2 3.52Å; Y582-F587 AromaticContact CE2-CE2 3.75Å; Y582-F587 HydrophobicContact CE2-CE2 3.75Å; Y582-F587 HydrophobicContact CE2-CG 4.44Å; Y582-F587 HydrophobicContact CG-CD2 4.23Å
583E75.2Confident79.2Confident31 Ų3172.2 Ų72.215%0.14538%0.38CS..Hα-helixtrans-77.8-23.9-174.3-72.7-85.2-172.900113.1L470 C579 N585 H591L470-E583 HydrophobicContact CD1-CB 3.85Å; L470-E583 HydrophobicContact CD1-CG 3.38Å; C579-E583 WeakPolarHBondContact O-CB 3.2Å; C579-E583 WeakPolarHBondContact O-CG 3.47Å; C579-E583 PolarHBondContact O-N 3.49Å; E583-N585 PolarHBondContact O-N 2.72Å; E583-H591 IonicContact OE2-CG 3.23Å; E583-H591 IonicContact OE2-ND1 2.96Å
584L80Confident78.1Confident80 Ų8070.2 Ų70.242%0.41937%0.373SS..THydrogen-bonded Turntrans-7810.3166-68.9172000113P464 V467 S580 Y586P464-L584 HydrophobicContact CB-CD2 4.24Å; P464-L584 HydrophobicContact CG-CD2 4.27Å; V467-L584 HydrophobicContact CG2-CD1 4.46Å; V467-L584 HydrophobicContact CG2-CD2 4.37Å; V467-L584 HydrophobicContact CG2-CG 4.47Å; S580-L584 WeakPolarHBondContact O-CB 3.39Å; S580-L584 WeakPolarHBondContact O-CG 3.44Å; S580-L584 PolarHBondContact O-N 2.94Å; L584-Y586 PolarHBondContact O-N 3.38Å
585N78.3Confident77.1Confident49 Ų4965.5 Ų65.526%0.26235%0.35SS..THydrogen-bonded Turntrans56.228.9-179.4-67.3-46000114.2Y582 E583 F587 G588 T589 V590 H591Y582-N585 WeakPolarHBondContact O-CA 3.2Å; Y582-N585 PolarHBondContact O-N 2.95Å; E583-N585 PolarHBondContact O-N 2.72Å; N585-F587 VanDerWaalsContact C-N 3.35Å; N585-F587 PolarHBondContact O-N 3.44Å; N585-G588 CarbonylContact C-O 3.57Å; N585-G588 WeakPolarHBondContact CA-O 3.27Å; N585-G588 WeakPolarHBondContact CB-O 3.38Å; N585-G588 PolarHBondContact O-N 2.84Å; N585-G588 PolarHBondContact OD1-O 3.35Å; N585-T589 WeakPolarHBondContact OD1-CA 3.43Å; N585-V590 PolarHBondContact OD1-N 3.47Å; N585-H591 PolarHBondContact ND2-O 2.98Å; N585-H591 PolarHBondContact OD1-N 3.28Å; N585-H591 PolarHBondContact OD1-O 2.84Å
586Y80.7Confident76.2Confident173 Ų17368.6 Ų68.668%0.67837%0.371SS*.THydrogen-bonded Turntrans-67-36.6-177.9-172.6-97.6000112.4L581 L584L581-Y586 HydrophobicContact CD2-CG 4.34Å; L581-Y586 WeakPolarHBondContact O-CB 2.88Å; L581-Y586 PolarHBondContact O-N 3.28Å; L584-Y586 PolarHBondContact O-N 3.38Å
587F78Confident75.1Confident117 Ų11769.6 Ų69.651%0.51338%0.376SS..THydrogen-bonded Turntrans-92.8-1.3180-62-67.1000114L581 Y582 N585L581-F587 HydrophobicContact CB-CD2 4.43Å; L581-F587 HydrophobicContact CB-CE2 3.8Å; L581-F587 HydrophobicContact CD1-CE2 4.44Å; Y582-F587 AromaticContact CD2-CD2 3.69Å; Y582-F587 HydrophobicContact CD2-CD2 3.69Å; Y582-F587 AromaticContact CD2-CE2 3.97Å; Y582-F587 HydrophobicContact CD2-CE2 3.97Å; Y582-F587 AromaticContact CE2-CD2 3.52Å; Y582-F587 HydrophobicContact CE2-CD2 3.52Å; Y582-F587 AromaticContact CE2-CE2 3.75Å; Y582-F587 HydrophobicContact CE2-CE2 3.75Å; Y582-F587 HydrophobicContact CE2-CG 4.44Å; Y582-F587 HydrophobicContact CG-CD2 4.23Å; N585-F587 VanDerWaalsContact C-N 3.35Å; N585-F587 PolarHBondContact O-N 3.44Å
588G71.7Confident73.8Confident36 Ų3671 Ų7137%0.37138%0.381SS..SBendtrans146.7163.5-176.200000111.7N585 V590N585-G588 CarbonylContact C-O 3.57Å; N585-G588 WeakPolarHBondContact CA-O 3.27Å; N585-G588 WeakPolarHBondContact CB-O 3.38Å; N585-G588 PolarHBondContact O-N 2.84Å; N585-G588 PolarHBondContact OD1-O 3.35Å; G588-V590 PolarHBondContact O-N 3.11Å
589T69.8Low72Confident135 Ų13577.4 Ų77.483%0.82841%0.412SS*.  trans-75.693.2177.454.90000110.1N585N585-T589 WeakPolarHBondContact OD1-CA 3.43Å
590V67.4Low71.5Confident44 Ų4480.2 Ų80.227%0.26743%0.426SS..  trans-97.6-38.2175.8-176.50000110.4Y537 N585 G588Y537-V590 HydrophobicContact CD2-CG1 4.41Å; N585-V590 PolarHBondContact OD1-N 3.47Å; G588-V590 PolarHBondContact O-N 3.11Å
591H65.1Low70.9Confident64 Ų6483.4 Ų83.430%0.29644%0.441SS..SBendtrans-119.5149.4-177.8-155.972.2000111.8T85 E583 N585T85-H591 WeakPolarHBondContact CG2-NE2 3.49Å; E583-H591 IonicContact OE2-CG 3.23Å; E583-H591 IonicContact OE2-ND1 2.96Å; N585-H591 PolarHBondContact ND2-O 2.98Å; N585-H591 PolarHBondContact OD1-N 3.28Å; N585-H591 PolarHBondContact OD1-O 2.84Å
592L67.9Low70.2Confident83 Ų8384.7 Ų84.744%0.43545%0.448SS..PPolyproline II helixtrans-73.2151.6174.1-71.3111.9000110.7N83 T85N83-L592 HydrophobicContact CB-CD2 3.55Å; N83-L592 VanDerWaalsContact O-CD2 3.22Å; N83-L592 WeakPolarHBondContact O-CD2 3.47Å; T85-L592 HydrophobicContact CG2-CB 4.2Å
593P69Low69.7Low87 Ų8785.6 Ų85.657%0.56546%0.458SS*.PPolyproline II helixtrans-65.8150.7174.928.5-34.6000111.3C84 T85C84-P593 CarbonylContact C-O 3.51Å; C84-P593 WeakPolarHBondContact CA-O 3.32Å; C84-P593 WeakPolarHBondContact CB-O 3.4Å; T85-P593 PolarHBondContact N-O 3.2Å
594S68.9Low69.3Low42 Ų4289 Ų8929%0.29448%0.478SS..BIsolated β-bridgetrans-62.6144.8171.7-57.20000111.7D465D465-S594 WeakPolarHBondContact OD2-CB 3.48Å; D465-S594 PolarHBondContact OD2-OG 3.23Å
595C70.5Confident68.6Low14 Ų1489.6 Ų89.610%0.09548%0.482CS..PPolyproline II helixtrans-65.7147.1171-57.10000110.7C84 T85 L87C84-C595 VanDerWaalsContact C-SG 3.52Å; C84-C595 HydrophobicContact CB-CB 3.97Å; C84-C595 WeakPolarHBondContact CB-SG 3.15Å; C84-C595 WeakPolarHBondContact SG-CA 3.35Å; C84-C595 WeakPolarHBondContact SG-CB 3Å; C84-C595 CovalentContact SG-SG 2.03Å; C84-C595 PolarHBondContact SG-SG 3.11Å; T85-C595 PolarHBondContact O-N 3.36Å; T85-C595 PolarHBondContact O-SG 3.06Å; L87-C595 WeakPolarHBondContact CD2-O 3.43Å
596P69.8Low67.9Low94 Ų9492.5 Ų92.561%0.6150%0.497SS*.PPolyproline II helixtrans-62.7146.8173.327.5-33.8000110.6N598P596-N598 PolarHBondContact O-N 3.09Å
597L64.3Low67Low65 Ų6586.3 Ų86.334%0.3448%0.483SS..  trans-67.3115.9178-152.3126.5000109.6L87 V459 E599L87-L597 HydrophobicContact CD1-CB 4.05Å; L87-L597 HydrophobicContact CD1-CD1 3.99Å; L87-L597 HydrophobicContact CD1-CG 3.98Å; V459-L597 HydrophobicContact CG1-CD1 3.4Å; L597-E599 PolarHBondContact O-N 3.32Å
598N60.6Low66Low111 Ų11183.8 Ų83.859%0.59448%0.481SS*.  trans-72112.7168.4-73.9-27.6000107.7P596P596-N598 PolarHBondContact O-N 3.09Å
599E47.5Very low65.5Low230 Ų23088.1 Ų88.1100%1.07549%0.491SS*.  trans-70.40174-73.6-164.8150.600113.2L597L597-E599 PolarHBondContact O-N 3.32Å

Retrieved 599 of 599 residues in 1015.6 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).