A0A060XTN4_ONCMY Loading...

Cyclin-dependent kinase 8

AlphaFold DB (A0A4W5Q6A8), UniProt , Accession A0A060XTN4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cdk8, Length 465 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
1M81.6Confident94.6Very high183 Ų183106.3 Ų106.390%0.90156%0.556SS**  0129.10-179.2177-80.700106.3F5 K6M1-F5 HydrophobicContact CG-CD1 4.17Å; M1-K6 HydrophobicContact CG-CB 4.23Å; M1-K6 HydrophobicContact SD-CB 3.9Å; M1-K6 HydrophobicContact SD-CD 4.22Å; M1-K6 HydrophobicContact SD-CG 3.93Å
2D97.1Very high94.8Very high100 Ų100109.7 Ų109.754%0.53557%0.567SS.*  trans-60.5141.8176.7175.1-102000111.2D4 F5 K6D2-D4 PolarHBondContact OD1-N 2.84Å; D2-F5 HydrophobicContact CB-CB 3.85Å; D2-F5 WeakPolarHBondContact OD1-CB 3.44Å; D2-F5 PolarHBondContact OD1-N 3.22Å; D2-K6 WeakPolarHBondContact O-CB 3.35Å; D2-K6 PolarHBondContact O-N 3.41Å; D2-K6 VanDerWaalsContact O-N 3.08Å
3Y96.6Very high94.9Very high172 Ų172107.2 Ų107.268%0.67555%0.546SS*.Hα-helixtrans-71.3-47.1-173.3176.6-96.7000111.5F5 K6 V7Y3-F5 VanDerWaalsContact C-N 3.33Å; Y3-F5 PolarHBondContact O-N 3.08Å; Y3-K6 WeakPolarHBondContact O-CB 3.4Å; Y3-K6 PolarHBondContact O-N 2.91Å; Y3-K6 VanDerWaalsContact O-N 3.11Å; Y3-V7 HydrophobicContact CD1-CG2 4.21Å; Y3-V7 HydrophobicContact CD2-CG2 4.4Å; Y3-V7 HydrophobicContact CE1-CG2 3.75Å; Y3-V7 HydrophobicContact CE2-CG2 3.95Å; Y3-V7 WeakPolarHBondContact O-CG2 3.44Å; Y3-V7 PolarHBondContact O-N 3.46Å
4D97.1Very high95.1Very high111 Ų111106.6 Ų106.659%0.59454%0.54SS*.Hα-helixtrans-65.3-41.4-178.6-64.6-26.3000110.4D2 K6 V7 M8D2-D4 PolarHBondContact OD1-N 2.84Å; D4-K6 VanDerWaalsContact C-N 3.33Å; D4-K6 PolarHBondContact O-N 3.19Å; D4-V7 PolarHBondContact O-N 2.92Å; D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.41Å; D4-M8 PolarHBondContact O-N 3.08Å
5F96.7Very high95.2Very high100 Ų100106.9 Ų106.944%0.43953%0.532SS..Hα-helixtrans-56.9-44.4171.4-178.6-103.8000112.4M1 D2 Y3 L9M1-F5 HydrophobicContact CG-CD1 4.17Å; D2-F5 HydrophobicContact CB-CB 3.85Å; D2-F5 WeakPolarHBondContact OD1-CB 3.44Å; D2-F5 PolarHBondContact OD1-N 3.22Å; Y3-F5 VanDerWaalsContact C-N 3.33Å; Y3-F5 PolarHBondContact O-N 3.08Å; F5-L9 HydrophobicContact CD1-CD1 4.06Å; F5-L9 HydrophobicContact CD2-CD1 4.48Å; F5-L9 HydrophobicContact CE1-CD1 3.43Å; F5-L9 VanDerWaalsContact CE1-CD1 3.43Å; F5-L9 HydrophobicContact CE1-CG 4.46Å; F5-L9 HydrophobicContact CE2-CD1 3.91Å; F5-L9 HydrophobicContact CE2-CG 4.33Å; F5-L9 HydrophobicContact CZ-CD1 3.35Å; F5-L9 HydrophobicContact CZ-CG 4.25Å; F5-L9 WeakPolarHBondContact O-CB 3.27Å; F5-L9 WeakPolarHBondContact O-CG 3.44Å; F5-L9 PolarHBondContact O-N 3.11Å; F5-L9 VanDerWaalsContact O-N 3.11Å
6K95.5Very high95.3Very high118 Ų118100.4 Ų100.451%0.51350%0.5SS..Hα-helixtrans-64.7-47.4178.7-176-177.8176.4-1730111.3M1 D2 Y3 D4 L9 T10M1-K6 HydrophobicContact CG-CB 4.23Å; M1-K6 HydrophobicContact SD-CB 3.9Å; M1-K6 HydrophobicContact SD-CD 4.22Å; M1-K6 HydrophobicContact SD-CG 3.93Å; D2-K6 WeakPolarHBondContact O-CB 3.35Å; D2-K6 PolarHBondContact O-N 3.41Å; D2-K6 VanDerWaalsContact O-N 3.08Å; Y3-K6 WeakPolarHBondContact O-CB 3.4Å; Y3-K6 PolarHBondContact O-N 2.91Å; Y3-K6 VanDerWaalsContact O-N 3.11Å; D4-K6 VanDerWaalsContact C-N 3.33Å; D4-K6 PolarHBondContact O-N 3.19Å; K6-L9 PolarHBondContact O-N 3.49Å; K6-T10 WeakPolarHBondContact O-CB 3.47Å; K6-T10 PolarHBondContact O-N 2.95Å; K6-T10 PolarHBondContact O-OG1 2.91Å; K6-T10 VanDerWaalsContact O-OG1 3.08Å
7V96.1Very high95.4Very high73 Ų7398.7 Ų98.744%0.44249%0.49SS..Hα-helixtrans-65-45-178.1172.70000111Y3 D4 T10 G11Y3-V7 HydrophobicContact CD1-CG2 4.21Å; Y3-V7 HydrophobicContact CD2-CG2 4.4Å; Y3-V7 HydrophobicContact CE1-CG2 3.75Å; Y3-V7 HydrophobicContact CE2-CG2 3.95Å; Y3-V7 WeakPolarHBondContact O-CG2 3.44Å; Y3-V7 PolarHBondContact O-N 3.46Å; D4-V7 PolarHBondContact O-N 2.92Å; V7-T10 PolarHBondContact O-N 3.11Å; V7-G11 PolarHBondContact O-N 3.34Å
8M96.8Very high95.4Very high109 Ų10998.5 Ų98.554%0.53749%0.491SS..Hα-helixtrans-55.9-53.7175.9-176-161.3-53.600111.1D4 T10 G11 E12D4-M8 VanDerWaalsContact O-CB 3.27Å; D4-M8 WeakPolarHBondContact O-CB 3.41Å; D4-M8 PolarHBondContact O-N 3.08Å; M8-T10 VanDerWaalsContact C-N 3.27Å; M8-T10 PolarHBondContact O-N 3.28Å; M8-G11 PolarHBondContact O-N 3.39Å; M8-G11 VanDerWaalsContact O-N 3.11Å; M8-E12 PolarHBondContact O-N 3.29Å; M8-E12 VanDerWaalsContact O-N 3.08Å
9L96Very high95.6Very high63 Ų6395.5 Ų95.533%0.3348%0.477SS..Hα-helixtrans-64.6-29.6178.7-73.9-175.6000113.3F5 K6 R13F5-L9 HydrophobicContact CD1-CD1 4.06Å; F5-L9 HydrophobicContact CD2-CD1 4.48Å; F5-L9 HydrophobicContact CE1-CD1 3.43Å; F5-L9 VanDerWaalsContact CE1-CD1 3.43Å; F5-L9 HydrophobicContact CE1-CG 4.46Å; F5-L9 HydrophobicContact CE2-CD1 3.91Å; F5-L9 HydrophobicContact CE2-CG 4.33Å; F5-L9 HydrophobicContact CZ-CD1 3.35Å; F5-L9 HydrophobicContact CZ-CG 4.25Å; F5-L9 WeakPolarHBondContact O-CB 3.27Å; F5-L9 WeakPolarHBondContact O-CG 3.44Å; F5-L9 PolarHBondContact O-N 3.11Å; F5-L9 VanDerWaalsContact O-N 3.11Å; K6-L9 PolarHBondContact O-N 3.49Å; L9-R13 WeakPolarHBondContact O-CB 3.22Å; L9-R13 PolarHBondContact O-N 3.3Å
10T93.4Very high95.7Very high70 Ų7091.3 Ų91.343%0.42946%0.455SS..Hα-helixtrans-72.4-34.6174.4-68.80000111.8K6 V7 M8K6-T10 WeakPolarHBondContact O-CB 3.47Å; K6-T10 PolarHBondContact O-N 2.95Å; K6-T10 PolarHBondContact O-OG1 2.91Å; K6-T10 VanDerWaalsContact O-OG1 3.08Å; V7-T10 PolarHBondContact O-N 3.11Å; M8-T10 VanDerWaalsContact C-N 3.27Å; M8-T10 PolarHBondContact O-N 3.28Å
11G94.1Very high95.8Very high70 Ų7090.9 Ų90.972%0.72245%0.452SS*.Hα-helixtrans-71.8-34.9177.700000113.9V7 M8V7-G11 PolarHBondContact O-N 3.34Å; M8-G11 PolarHBondContact O-N 3.39Å; M8-G11 VanDerWaalsContact O-N 3.11Å
12E96.4Very high96.5Very high147 Ų14783.7 Ų83.769%0.68742%0.415SS*.Hα-helixtrans-92.2-11-178.3-65.9-174.8173.500114.4M8 E14M8-E12 PolarHBondContact O-N 3.29Å; M8-E12 VanDerWaalsContact O-N 3.08Å; E12-E14 PolarHBondContact O-N 3.49Å; E12-E14 VanDerWaalsContact O-N 3.08Å
13R96.6Very high96.3Very high77 Ų7786 Ų8629%0.29142%0.422SS..  trans-67.9112.8-174.6179.1175.4-57-96.8-5.4111.4L9 R15 L86 H88L9-R13 WeakPolarHBondContact O-CB 3.22Å; L9-R13 PolarHBondContact O-N 3.3Å; R13-R15 WeakPolarHBondContact O-CG 3.49Å; R13-R15 PolarHBondContact O-N 3.08Å; R13-L86 PolarHBondContact NH1-O 3.11Å; R13-H88 VanDerWaalsContact CZ-CD2 3.49Å; R13-H88 VanDerWaalsContact CZ-NE2 3.28Å; R13-H88 PolarHBondContact NH1-CD2 3.08Å; R13-H88 PolarHBondContact NH1-NE2 2.87Å; R13-H88 PolarHBondContact NH2-CE1 3.03Å; R13-H88 PolarHBondContact NH2-NE2 3.27Å
14E97.2Very high96.2Very high99 Ų9980.5 Ų80.546%0.46342%0.418SS..  trans-58.9124.7164.3-68.9-174.7146.800110.6E12 L19 K83 F85E12-E14 PolarHBondContact O-N 3.49Å; E12-E14 VanDerWaalsContact O-N 3.08Å; E14-L19 HydrophobicContact CB-CD1 3.82Å; E14-L19 HydrophobicContact CG-CD1 4.1Å; E14-K83 IonicContact OE1-NZ 2.96Å; E14-K83 PolarHBondContact OE1-NZ 2.96Å; E14-K83 IonicContact OE2-NZ 2.7Å; E14-K83 PolarHBondContact OE2-NZ 3.01Å; E14-F85 HydrophobicContact CB-CE1 4.24Å
15R96.8Very high96.1Very high111 Ų11176.7 Ų76.742%0.41940%0.4SS..  trans-107.7145.8176.3-44.7-173.8-176.4171.32.9110.3R13 E17 D18 L19R13-R15 WeakPolarHBondContact O-CG 3.49Å; R13-R15 PolarHBondContact O-N 3.08Å; R15-E17 VanDerWaalsContact C-N 3.33Å; R15-E17 HydrophobicContact CB-CG 4.34Å; R15-E17 WeakPolarHBondContact CB-OE1 3.44Å; R15-E17 WeakPolarHBondContact CB-OE2 3.5Å; R15-E17 WeakPolarHBondContact CD-OE1 3.47Å; R15-E17 PolarHBondContact O-N 3.35Å; R15-D18 HydrophobicContact CB-CB 4.26Å; R15-D18 WeakPolarHBondContact CB-OD2 3.43Å; R15-D18 WeakPolarHBondContact CD-OD2 3.48Å; R15-D18 WeakPolarHBondContact CG-OD2 3.26Å; R15-D18 PolarHBondContact O-N 3.41Å; R15-L19 WeakPolarHBondContact O-CG 3.33Å; R15-L19 PolarHBondContact O-N 3.46Å
16V97.3Very high96.1Very high3 Ų373 Ų732%0.01838%0.384CS..Hα-helixtrans-66.9-40.2-174.662.80000110.8D18 L19 F20 Y22 L51 F85 W94V16-D18 VanDerWaalsContact C-N 3.31Å; V16-D18 PolarHBondContact O-N 2.89Å; V16-L19 PolarHBondContact O-N 2.7Å; V16-F20 HydrophobicContact CG2-CD2 4.46Å; V16-F20 PolarHBondContact O-N 2.85Å; V16-Y22 HydrophobicContact CG1-CE1 4.49Å; V16-Y22 HydrophobicContact CG2-CE1 4.07Å; V16-L51 HydrophobicContact CG2-CD1 3.53Å; V16-L51 HydrophobicContact CG2-CD2 3.72Å; V16-L51 HydrophobicContact CG2-CG 4.29Å; V16-F85 HydrophobicContact CB-CB 4.28Å; V16-F85 HydrophobicContact CB-CD2 4.17Å; V16-F85 HydrophobicContact CB-CG 4.13Å; V16-F85 HydrophobicContact CG2-CD2 4.2Å; V16-W94 HydrophobicContact CG1-CD2 4.15Å; V16-W94 HydrophobicContact CG1-CG 4.16Å; V16-W94 HydrophobicContact CG1-CZ2 4.48Å; V16-W94 HydrophobicContact CG2-CD2 4.37Å; V16-W94 HydrophobicContact CG2-CE3 4.45Å; V16-W94 HydrophobicContact CG2-CG 4.46Å
17E96.4Very high96Very high72 Ų7268.2 Ų68.234%0.33637%0.365SS..Hα-helixtrans-67.4-27.3178.465.4-84.6-161.400113.5R15 K41R15-E17 VanDerWaalsContact C-N 3.33Å; R15-E17 HydrophobicContact CB-CG 4.34Å; R15-E17 WeakPolarHBondContact CB-OE1 3.44Å; R15-E17 WeakPolarHBondContact CB-OE2 3.5Å; R15-E17 WeakPolarHBondContact CD-OE1 3.47Å; R15-E17 PolarHBondContact O-N 3.35Å; E17-K41 PolarHBondContact O-NZ 3.26Å
18D96.5Very high95.6Very high95 Ų9565.8 Ų65.851%0.50835%0.354SS..Hα-helixtrans-80.6-34177.2-64.8-24.9000111.2R15 V16 K41R15-D18 HydrophobicContact CB-CB 4.26Å; R15-D18 WeakPolarHBondContact CB-OD2 3.43Å; R15-D18 WeakPolarHBondContact CD-OD2 3.48Å; R15-D18 WeakPolarHBondContact CG-OD2 3.26Å; R15-D18 PolarHBondContact O-N 3.41Å; V16-D18 VanDerWaalsContact C-N 3.31Å; V16-D18 PolarHBondContact O-N 2.89Å; D18-K41 WeakPolarHBondContact O-CD 3.09Å
19L97.4Very high95Very high42 Ų4267.9 Ų67.922%0.2236%0.356CS..Hα-helixtrans-91.2-30.2-174.1-68.6-178.5000114E14 R15 V16 R40 K41 F85E14-L19 HydrophobicContact CB-CD1 3.82Å; E14-L19 HydrophobicContact CG-CD1 4.1Å; R15-L19 WeakPolarHBondContact O-CG 3.33Å; R15-L19 PolarHBondContact O-N 3.46Å; V16-L19 PolarHBondContact O-N 2.7Å; L19-R40 WeakPolarHBondContact O-CA 3.05Å; L19-K41 PolarHBondContact O-N 2.96Å; L19-F85 HydrophobicContact CD1-CE1 3.77Å; L19-F85 HydrophobicContact CD1-CZ 4.12Å
20F98.1Very high93.9Very high10 Ų1066.9 Ų66.94%0.04436%0.361CS..EExtended strand (participates in β ladder)trans-127.8140.5-171.1-67-84.8000112.7V16 Y22 A38 K39 R40 K41 Y49 L51 F85 L96V16-F20 HydrophobicContact CG2-CD2 4.46Å; V16-F20 PolarHBondContact O-N 2.85Å; F20-Y22 HydrophobicContact CB-CD1 4.14Å; F20-A38 HydrophobicContact CB-CB 4.27Å; F20-A38 HydrophobicContact CD1-CB 4.14Å; F20-K39 CarbonylContact C-O 3.5Å; F20-K39 VanDerWaalsContact CA-O 3.29Å; F20-K39 WeakPolarHBondContact CA-O 3.22Å; F20-R40 HydrophobicContact CD1-CG 4.13Å; F20-R40 HydrophobicContact CE1-CG 3.57Å; F20-R40 HydrophobicContact CZ-CG 4.2Å; F20-K41 VanDerWaalsContact O-CE 3.29Å; F20-K41 WeakPolarHBondContact O-CE 3.16Å; F20-Y49 HydrophobicContact CD1-CD2 4.47Å; F20-Y49 AromaticContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CE2 4.27Å; F20-Y49 AromaticContact CE1-CG 3.96Å; F20-Y49 HydrophobicContact CE1-CG 3.96Å; F20-L51 HydrophobicContact CB-CD1 3.77Å; F20-L51 HydrophobicContact CD2-CD1 4.38Å; F20-L51 HydrophobicContact CG-CD1 4.05Å; F20-F85 HydrophobicContact CD2-CZ 4.48Å; F20-F85 HydrophobicContact CE2-CE2 4.03Å; F20-F85 AromaticContact CE2-CZ 3.8Å; F20-F85 HydrophobicContact CE2-CZ 3.8Å; F20-L96 HydrophobicContact CD1-CD1 4.49Å; F20-L96 HydrophobicContact CE1-CD1 3.83Å; F20-L96 HydrophobicContact CE1-CD2 4.4Å; F20-L96 HydrophobicContact CE2-CD1 4.09Å; F20-L96 HydrophobicContact CE2-CD2 4.07Å; F20-L96 HydrophobicContact CZ-CD1 3.62Å; F20-L96 HydrophobicContact CZ-CD2 3.54Å; F20-L96 HydrophobicContact CZ-CG 4.25Å
21E97.5Very high92.7Very high83 Ų8368.1 Ų68.139%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-93.1119166.1-173.852.7-108.400108.7E23 A38 K39 K41E21-E23 PolarHBondContact OE1-N 3.08Å; E21-A38 VanDerWaalsContact O-CA 3.26Å; E21-A38 WeakPolarHBondContact O-CA 3.45Å; E21-K39 PolarHBondContact N-O 2.98Å; E21-K39 PolarHBondContact O-N 2.56Å; E21-K41 HydrophobicContact CB-CG 4.23Å; E21-K41 WeakPolarHBondContact OE2-CE 2.79Å; E21-K41 IonicContact OE2-NZ 2.87Å
22Y96.6Very high91.6Very high33 Ų3367.5 Ų67.513%0.12935%0.345CS..  trans-148.51.2-175.964.6-95.4000113.6V16 F20 C25 Y36 L51 W94V16-Y22 HydrophobicContact CG1-CE1 4.49Å; V16-Y22 HydrophobicContact CG2-CE1 4.07Å; F20-Y22 HydrophobicContact CB-CD1 4.14Å; Y22-C25 WeakPolarHBondContact O-CB 3.46Å; Y22-C25 PolarHBondContact O-N 3.21Å; Y22-C25 VanDerWaalsContact O-N 3.13Å; Y22-Y36 AromaticContact CD2-CD1 3.99Å; Y22-Y36 HydrophobicContact CD2-CD1 3.99Å; Y22-Y36 HydrophobicContact CD2-CE1 4.36Å; Y22-Y36 HydrophobicContact CD2-CG 4.16Å; Y22-L51 HydrophobicContact CD1-CD1 3.65Å; Y22-L51 HydrophobicContact CE1-CD1 4.26Å; Y22-L51 HydrophobicContact CG-CD1 4.05Å; Y22-W94 AromaticContact CE2-CH2 3.81Å; Y22-W94 HydrophobicContact CE2-CH2 3.81Å; Y22-W94 HydrophobicContact CE2-CZ3 4.3Å
23E94.3Very high91.1Very high147 Ų14760.8 Ų60.869%0.68731%0.314SS*.THydrogen-bonded Turntrans-65.9137.5-179.7-66.4-17317400110.4E21 C25E21-E23 PolarHBondContact OE1-N 3.08Å; E23-C25 PolarHBondContact O-N 2.92Å; E23-C25 PolarHBondContact O-SG 3.48Å
24G92.8Very high90.9Very high57 Ų5758.6 Ų58.659%0.58831%0.307SS*.THydrogen-bonded Turntrans65.80.6-173.800000115.4
25C95.9Very high90.8Very high31 Ų3156 Ų5621%0.20930%0.299CS..  trans-10327-172.9-590000113.5Y22 E23 V27 Y36 K37 F358Y22-C25 WeakPolarHBondContact O-CB 3.46Å; Y22-C25 PolarHBondContact O-N 3.21Å; Y22-C25 VanDerWaalsContact O-N 3.13Å; E23-C25 PolarHBondContact O-N 2.92Å; E23-C25 PolarHBondContact O-SG 3.48Å; C25-V27 PolarHBondContact O-N 2.86Å; C25-Y36 WeakPolarHBondContact O-CA 3.43Å; C25-K37 HydrophobicContact CB-CB 4.48Å; C25-K37 WeakPolarHBondContact CB-O 3.3Å; C25-K37 PolarHBondContact O-N 3.27Å; C25-F358 HydrophobicContact CB-CD1 4.29Å; C25-F358 HydrophobicContact CB-CE1 3.91Å; C25-F358 HydrophobicContact CB-CZ 4.31Å
26K95.8Very high90.8Very high23 Ų2351.8 Ų51.810%0.128%0.283CS..EExtended strand (participates in β ladder)trans-67.8127.3179.5-169.5179.2-66.1161.40109.7Y36 F358 L359 E361K26-Y36 HydrophobicContact CB-CD1 3.88Å; K26-Y36 HydrophobicContact CB-CE1 3.84Å; K26-Y36 HydrophobicContact CD-CE1 4.49Å; K26-Y36 VanDerWaalsContact CE-OH 3.32Å; K26-Y36 WeakPolarHBondContact CE-OH 3.15Å; K26-Y36 HydrophobicContact CG-CD1 4.36Å; K26-Y36 HydrophobicContact CG-CE1 4.09Å; K26-F358 CarbonylContact O-C 3.52Å; K26-F358 VanDerWaalsContact O-CA 3.29Å; K26-F358 WeakPolarHBondContact O-CA 3.5Å; K26-L359 HydrophobicContact CB-CB 4.47Å; K26-L359 HydrophobicContact CG-CB 4.42Å; K26-L359 PolarHBondContact O-N 3.14Å; K26-E361 IonicContact NZ-OE1 2.73Å; K26-E361 PolarHBondContact NZ-OE1 3.29Å
27V93.5Very high90.9Very high18 Ų1853 Ų5311%0.10929%0.288CS..EExtended strand (participates in β ladder)trans-117.4-11-178.3-66.30000113.4C25 V35 K37 Y99 R356 F358C25-V27 PolarHBondContact O-N 2.86Å; V27-V35 HydrophobicContact CG2-CB 4.32Å; V27-V35 HydrophobicContact CG2-CG1 3.96Å; V27-V35 WeakPolarHBondContact CG2-O 3.37Å; V27-V35 PolarHBondContact N-O 3.07Å; V27-K37 HydrophobicContact CG1-CB 3.99Å; V27-Y99 HydrophobicContact CG2-CE2 4.3Å; V27-R356 HydrophobicContact CB-CB 4.34Å; V27-R356 HydrophobicContact CG1-CB 4.22Å; V27-F358 HydrophobicContact CG1-CD1 3.69Å; V27-F358 HydrophobicContact CG1-CE1 3.81Å
28G88.3Confident90.9Very high22 Ų2249.6 Ų49.623%0.22727%0.272CS..EExtended strand (participates in β ladder)trans-155.8144.3-18000000112.8V35G28-V35 PolarHBondContact N-O 2.79Å; G28-V35 PolarHBondContact O-N 3.34Å
29R83.9Confident91Very high153 Ų15348.4 Ų48.458%0.57726%0.262SS*.EExtended strand (participates in β ladder)trans-136.4135.4170.9-178.2175.5177.8-158.1-8.2108.5L359 E365R29-L359 HydrophobicContact CB-CD1 4.48Å; R29-E365 IonicContact NH2-OE1 2.64Å
30G73.8Confident90.9Very high41 Ų4149.9 Ų49.942%0.42327%0.265SS..EExtended strand (participates in β ladder)trans-164.4-174.2176.100000111.7Y32 G33G30-Y32 PolarHBondContact O-N 3.34Å; G30-G33 PolarHBondContact N-O 3.21Å; G30-G33 VanDerWaalsContact N-O 3.09Å; G30-G33 PolarHBondContact O-N 2.96Å
31T68.2Low90.9Very high96 Ų9654.5 Ų54.559%0.58929%0.285SS*.THydrogen-bonded Turntrans-56.3-21.1179.5-46.20000113.4
32Y70.7Confident90.7Very high58 Ų5853.6 Ų53.623%0.22728%0.283CS..THydrogen-bonded Turntrans-96.2-0.2-176-40.1-49.6000113.6G30 E55 D151 D173 F176G30-Y32 PolarHBondContact O-N 3.34Å; Y32-E55 PolarHBondContact O-N 2.84Å; Y32-D151 PolarHBondContact OH-OD2 2.96Å; Y32-D173 WeakPolarHBondContact CD2-OD2 3.45Å; Y32-D173 WeakPolarHBondContact CE2-OD2 3.03Å; Y32-F176 HydrophobicContact CD1-CE2 4.21Å; Y32-F176 HydrophobicContact CE1-CD2 4.39Å; Y32-F176 AromaticContact CE1-CE2 3.2Å; Y32-F176 HydrophobicContact CE1-CE2 3.2Å; Y32-F176 AromaticContact CE1-CZ 3.59Å; Y32-F176 HydrophobicContact CE1-CZ 3.59Å; Y32-F176 HydrophobicContact CE2-CE2 4.33Å; Y32-F176 AromaticContact CZ-CE2 3.25Å; Y32-F176 AromaticContact CZ-CZ 3.83Å; Y32-F176 WeakPolarHBondContact OH-CE2 3.35Å; Y32-F176 VanDerWaalsContact OH-CZ 3.27Å; Y32-F176 WeakPolarHBondContact OH-CZ 3.33Å
33G85.7Confident90.3Very high5 Ų555 Ų555%0.05231%0.307CS..EExtended strand (participates in β ladder)trans118-146.8174.900000113.1G30 Q53G30-G33 PolarHBondContact N-O 3.21Å; G30-G33 VanDerWaalsContact N-O 3.09Å; G30-G33 PolarHBondContact O-N 2.96Å; G33-Q53 WeakPolarHBondContact CA-O 3.38Å
34H91.8Very high90.1Very high31 Ų3155.4 Ų55.414%0.14431%0.306CS..EExtended strand (participates in β ladder)trans-118.1136.5-172.8-58.293.7000110.5Y36 K52 Q53 E55H34-Y36 HydrophobicContact CB-CD2 4.36Å; H34-Y36 HydrophobicContact CB-CE2 3.48Å; H34-Y36 VanDerWaalsContact CB-CE2 3.48Å; H34-K52 CarbonylContact O-C 3.54Å; H34-K52 WeakPolarHBondContact O-CA 3.29Å; H34-Q53 HydrophobicContact CB-CB 4.45Å; H34-Q53 PolarHBondContact N-O 3.31Å; H34-Q53 PolarHBondContact O-N 3.38Å; H34-E55 IonicContact CE1-OE2 3.5Å
35V95.7Very high90.1Very high46 Ų4654.6 Ų54.628%0.27929%0.289SS..EExtended strand (participates in β ladder)trans-115.8130.1175.9-1760000109.2V27 G28 A50 L51 K52V27-V35 HydrophobicContact CG2-CB 4.32Å; V27-V35 HydrophobicContact CG2-CG1 3.96Å; V27-V35 WeakPolarHBondContact CG2-O 3.37Å; V27-V35 PolarHBondContact N-O 3.07Å; G28-V35 PolarHBondContact N-O 2.79Å; G28-V35 PolarHBondContact O-N 3.34Å; V35-A50 HydrophobicContact CG1-CB 4.35Å; V35-L51 CarbonylContact C-O 2.99Å; V35-L51 WeakPolarHBondContact CA-O 3.17Å; V35-K52 HydrophobicContact CG2-CB 4.37Å; V35-K52 HydrophobicContact CG2-CG 4.22Å
36Y97.4Very high89.9Confident21 Ų2159.7 Ų59.78%0.08231%0.314CS..EExtended strand (participates in β ladder)trans-118.8141-179.9-57-101.7000109.9Y22 C25 K26 H34 A50 L51 Q53 W94Y22-Y36 AromaticContact CD2-CD1 3.99Å; Y22-Y36 HydrophobicContact CD2-CD1 3.99Å; Y22-Y36 HydrophobicContact CD2-CE1 4.36Å; Y22-Y36 HydrophobicContact CD2-CG 4.16Å; C25-Y36 WeakPolarHBondContact O-CA 3.43Å; K26-Y36 HydrophobicContact CB-CD1 3.88Å; K26-Y36 HydrophobicContact CB-CE1 3.84Å; K26-Y36 HydrophobicContact CD-CE1 4.49Å; K26-Y36 VanDerWaalsContact CE-OH 3.32Å; K26-Y36 WeakPolarHBondContact CE-OH 3.15Å; K26-Y36 HydrophobicContact CG-CD1 4.36Å; K26-Y36 HydrophobicContact CG-CE1 4.09Å; H34-Y36 HydrophobicContact CB-CD2 4.36Å; H34-Y36 HydrophobicContact CB-CE2 3.48Å; H34-Y36 VanDerWaalsContact CB-CE2 3.48Å; Y36-A50 WeakPolarHBondContact O-CA 3.47Å; Y36-L51 PolarHBondContact N-O 2.79Å; Y36-L51 PolarHBondContact O-N 2.91Å; Y36-Q53 HydrophobicContact CE2-CB 4.4Å; Y36-W94 HydrophobicContact CD2-CH2 4.38Å; Y36-W94 AromaticContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CD2-CZ3 3.82Å; Y36-W94 AromaticContact CE2-CH2 3.97Å; Y36-W94 HydrophobicContact CE2-CH2 3.97Å; Y36-W94 AromaticContact CE2-CZ3 3.8Å; Y36-W94 HydrophobicContact CE2-CZ3 3.8Å
37K97.8Very high89.9Confident29 Ų2964 Ų6413%0.12633%0.333CS..EExtended strand (participates in β ladder)trans-77.9130.9161.8-174.1174.1-175.9165.10107.7C25 V27 D48 Y49 Y99 E101 F358C25-K37 HydrophobicContact CB-CB 4.48Å; C25-K37 WeakPolarHBondContact CB-O 3.3Å; C25-K37 PolarHBondContact O-N 3.27Å; V27-K37 HydrophobicContact CG1-CB 3.99Å; K37-D48 VanDerWaalsContact CE-OD1 3.22Å; K37-D48 WeakPolarHBondContact CE-OD1 3.41Å; K37-D48 WeakPolarHBondContact CE-OD2 3.34Å; K37-D48 IonicContact NZ-OD1 3.73Å; K37-D48 IonicContact NZ-OD2 3.53Å; K37-D48 PolarHBondContact NZ-OD2 3.46Å; K37-Y49 CarbonylContact C-O 3.58Å; K37-Y49 WeakPolarHBondContact CA-O 3.48Å; K37-Y99 HydrophobicContact CB-CD2 4.26Å; K37-Y99 HydrophobicContact CB-CE2 3.79Å; K37-Y99 HydrophobicContact CD-CD1 4.48Å; K37-Y99 HydrophobicContact CD-CE1 3.94Å; K37-Y99 HydrophobicContact CD-CE2 4.11Å; K37-Y99 HydrophobicContact CG-CD2 4.03Å; K37-Y99 HydrophobicContact CG-CE1 4.36Å; K37-Y99 HydrophobicContact CG-CE2 3.81Å; K37-Y99 HydrophobicContact CG-CG 4.42Å; K37-E101 IonicContact NZ-OE2 3.88Å; K37-E101 PolarHBondContact NZ-OE2 3.04Å; K37-F358 HydrophobicContact CB-CE1 4Å; K37-F358 HydrophobicContact CD-CE1 4.22Å; K37-F358 HydrophobicContact CD-CZ 4.31Å
38A97.8Very high90.1Very high1 Ų165.3 Ų65.31%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-133.7147.5-172.600000112.2F20 E21 Y49 L51F20-A38 HydrophobicContact CB-CB 4.27Å; F20-A38 HydrophobicContact CD1-CB 4.14Å; E21-A38 VanDerWaalsContact O-CA 3.26Å; E21-A38 WeakPolarHBondContact O-CA 3.45Å; A38-Y49 PolarHBondContact N-O 3.19Å; A38-Y49 PolarHBondContact O-N 3.45Å; A38-L51 HydrophobicContact CB-CB 4.49Å; A38-L51 HydrophobicContact CB-CD1 3.68Å; A38-L51 HydrophobicContact CB-CG 3.96Å
39K97.5Very high90.5Very high70 Ų7065.1 Ų65.130%0.30433%0.332SS..EExtended strand (participates in β ladder)trans-118.7148.2171.5-75.5-70.8-159.4177.50109.7F20 E21 D46 K47 D48F20-K39 CarbonylContact C-O 3.5Å; F20-K39 VanDerWaalsContact CA-O 3.29Å; F20-K39 WeakPolarHBondContact CA-O 3.22Å; E21-K39 PolarHBondContact N-O 2.98Å; E21-K39 PolarHBondContact O-N 2.56Å; K39-D46 PolarHBondContact NZ-O 3.3Å; K39-D46 IonicContact NZ-OD1 3.27Å; K39-D46 PolarHBondContact NZ-OD1 3.28Å; K39-K47 WeakPolarHBondContact CD-O 3.38Å; K39-D48 WeakPolarHBondContact CD-OD1 3.21Å; K39-D48 WeakPolarHBondContact CE-OD1 3.13Å; K39-D48 IonicContact NZ-OD1 3.61Å; K39-D48 PolarHBondContact NZ-OD1 3.48Å; K39-D48 VanDerWaalsContact NZ-OD1 3.13Å
40R96.8Very high91.2Very high73 Ų7358.4 Ų58.428%0.27531%0.309SS..EExtended strand (participates in β ladder)trans-72.2135.6174.5-68.7176.36814213.4110.9L19 F20 D42 D45 Y49L19-R40 WeakPolarHBondContact O-CA 3.05Å; F20-R40 HydrophobicContact CD1-CG 4.13Å; F20-R40 HydrophobicContact CE1-CG 3.57Å; F20-R40 HydrophobicContact CZ-CG 4.2Å; R40-D42 IonicContact CZ-OD1 3.47Å; R40-D42 IonicContact CZ-OD2 3.66Å; R40-D42 IonicContact NE-OD1 3.84Å; R40-D42 PolarHBondContact NE-OD1 3.43Å; R40-D42 IonicContact NE-OD2 3.73Å; R40-D42 IonicContact NH2-OD1 3.38Å; R40-D42 PolarHBondContact NH2-OD1 3.37Å; R40-D42 IonicContact NH2-OD2 2.79Å; R40-D42 PolarHBondContact NH2-OD2 3.19Å; R40-D45 WeakPolarHBondContact CD-OD2 3.49Å; R40-D45 IonicContact CZ-OD2 3.44Å; R40-D45 IonicContact NE-OD2 2.98Å; R40-D45 IonicContact NH1-OD2 3.57Å; R40-D45 PolarHBondContact NH1-OD2 2.92Å; R40-D45 VanDerWaalsContact NH1-OD2 3.08Å; R40-Y49 HydrophobicContact CG-CD2 4.21Å; R40-Y49 HydrophobicContact CG-CE2 3.69Å
41K96.6Very high92.4Very high107 Ų10756.4 Ų56.447%0.46529%0.289SS..THydrogen-bonded Turntrans-75.3-27.2175.7-71.8-178.6171.3176.20113.1E17 D18 L19 F20 E21 G43E17-K41 PolarHBondContact O-NZ 3.26Å; D18-K41 WeakPolarHBondContact O-CD 3.09Å; L19-K41 PolarHBondContact O-N 2.96Å; F20-K41 VanDerWaalsContact O-CE 3.29Å; F20-K41 WeakPolarHBondContact O-CE 3.16Å; E21-K41 HydrophobicContact CB-CG 4.23Å; E21-K41 WeakPolarHBondContact OE2-CE 2.79Å; E21-K41 IonicContact OE2-NZ 2.87Å; K41-G43 PolarHBondContact O-N 3.15Å
42D93.7Very high93.7Very high64 Ų6452.7 Ų52.734%0.34226%0.264SS..THydrogen-bonded Turntrans-77.8-3.5-178.270.7-2.8000114.3R40 K44R40-D42 IonicContact CZ-OD1 3.47Å; R40-D42 IonicContact CZ-OD2 3.66Å; R40-D42 IonicContact NE-OD1 3.84Å; R40-D42 PolarHBondContact NE-OD1 3.43Å; R40-D42 IonicContact NE-OD2 3.73Å; R40-D42 IonicContact NH2-OD1 3.38Å; R40-D42 PolarHBondContact NH2-OD1 3.37Å; R40-D42 IonicContact NH2-OD2 2.79Å; R40-D42 PolarHBondContact NH2-OD2 3.19Å; D42-K44 HydrophobicContact CB-CG 4.39Å; D42-K44 PolarHBondContact O-N 2.9Å; D42-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact OD1-N 3.07Å; D42-K44 WeakPolarHBondContact OD2-CD 3.28Å; D42-K44 WeakPolarHBondContact OD2-CE 3.3Å; D42-K44 IonicContact OD2-NZ 2.89Å; D42-K44 PolarHBondContact OD2-NZ 2.99Å
43G88.7Confident94.8Very high61 Ų6151.1 Ų51.163%0.62926%0.259SS*.  trans6313.7176.300000115K41 D45K41-G43 PolarHBondContact O-N 3.15Å; G43-D45 PolarHBondContact O-N 3.01Å
44K90.6Very high95.1Very high156 Ų15651.5 Ų51.568%0.67826%0.26SS*.SBendtrans-68.3-24.1-177.2-72.5-175.2-167.8142.50113.6D42D42-K44 HydrophobicContact CB-CG 4.39Å; D42-K44 PolarHBondContact O-N 2.9Å; D42-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact OD1-N 3.07Å; D42-K44 WeakPolarHBondContact OD2-CD 3.28Å; D42-K44 WeakPolarHBondContact OD2-CE 3.3Å; D42-K44 IonicContact OD2-NZ 2.89Å; D42-K44 PolarHBondContact OD2-NZ 2.99Å
45D92.9Very high94.8Very high41 Ų4154.6 Ų54.622%0.21927%0.274CS..  trans-149158.4171.764.166.5000110R40 G43 K47 Y49R40-D45 WeakPolarHBondContact CD-OD2 3.49Å; R40-D45 IonicContact CZ-OD2 3.44Å; R40-D45 IonicContact NE-OD2 2.98Å; R40-D45 IonicContact NH1-OD2 3.57Å; R40-D45 PolarHBondContact NH1-OD2 2.92Å; R40-D45 VanDerWaalsContact NH1-OD2 3.08Å; G43-D45 PolarHBondContact O-N 3.01Å; D45-K47 HydrophobicContact CB-CG 4.33Å; D45-K47 WeakPolarHBondContact OD1-CB 3.25Å; D45-K47 PolarHBondContact OD1-N 2.89Å; D45-K47 VanDerWaalsContact OD1-N 3.11Å; D45-Y49 VanDerWaalsContact CG-OH 3.29Å; D45-Y49 VanDerWaalsContact OD1-CE2 3.31Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.48Å; D45-Y49 PolarHBondContact OD1-OH 3.41Å; D45-Y49 PolarHBondContact OD2-OH 2.96Å
46D91.8Very high94.4Very high138 Ų13854 Ų5474%0.73828%0.278SS*.  trans-100.125.6176.3-168.424.8000111.7K39K39-D46 PolarHBondContact NZ-O 3.3Å; K39-D46 IonicContact NZ-OD1 3.27Å; K39-D46 PolarHBondContact NZ-OD1 3.28Å
47K94.6Very high93.9Very high113 Ų11357.5 Ų57.549%0.49130%0.301SS..  trans-77.9145-179.5-63.3178.7-178.6177.50110.5K39 D45 Y49K39-K47 WeakPolarHBondContact CD-O 3.38Å; D45-K47 HydrophobicContact CB-CG 4.33Å; D45-K47 WeakPolarHBondContact OD1-CB 3.25Å; D45-K47 PolarHBondContact OD1-N 2.89Å; D45-K47 VanDerWaalsContact OD1-N 3.11Å; K47-Y49 HydrophobicContact CB-CE2 3.85Å; K47-Y49 WeakPolarHBondContact O-CD2 3.32Å
48D97.4Very high93.5Very high46 Ų4657 Ų5725%0.24631%0.305CS..  trans-81.3134165.1-69.7-35.5000109.2K37 K39 Y99K37-D48 VanDerWaalsContact CE-OD1 3.22Å; K37-D48 WeakPolarHBondContact CE-OD1 3.41Å; K37-D48 WeakPolarHBondContact CE-OD2 3.34Å; K37-D48 IonicContact NZ-OD1 3.73Å; K37-D48 IonicContact NZ-OD2 3.53Å; K37-D48 PolarHBondContact NZ-OD2 3.46Å; K39-D48 WeakPolarHBondContact CD-OD1 3.21Å; K39-D48 WeakPolarHBondContact CE-OD1 3.13Å; K39-D48 IonicContact NZ-OD1 3.61Å; K39-D48 PolarHBondContact NZ-OD1 3.48Å; K39-D48 VanDerWaalsContact NZ-OD1 3.13Å; D48-Y99 VanDerWaalsContact C-CB 3.41Å; D48-Y99 HydrophobicContact CB-CD1 3.88Å; D48-Y99 HydrophobicContact CB-CG 3.97Å; D48-Y99 WeakPolarHBondContact O-CB 3.38Å; D48-Y99 PolarHBondContact O-N 2.9Å; D48-Y99 VanDerWaalsContact O-N 3.15Å
49Y98.1Very high93Very high17 Ų1762.1 Ų62.17%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-114.6155.5174.9-66-88.1000111.2F20 K37 A38 R40 D45 K47 L96 F97F20-Y49 HydrophobicContact CD1-CD2 4.47Å; F20-Y49 AromaticContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CE2 4.27Å; F20-Y49 AromaticContact CE1-CG 3.96Å; F20-Y49 HydrophobicContact CE1-CG 3.96Å; K37-Y49 CarbonylContact C-O 3.58Å; K37-Y49 WeakPolarHBondContact CA-O 3.48Å; A38-Y49 PolarHBondContact N-O 3.19Å; A38-Y49 PolarHBondContact O-N 3.45Å; R40-Y49 HydrophobicContact CG-CD2 4.21Å; R40-Y49 HydrophobicContact CG-CE2 3.69Å; D45-Y49 VanDerWaalsContact CG-OH 3.29Å; D45-Y49 VanDerWaalsContact OD1-CE2 3.31Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.48Å; D45-Y49 PolarHBondContact OD1-OH 3.41Å; D45-Y49 PolarHBondContact OD2-OH 2.96Å; K47-Y49 HydrophobicContact CB-CE2 3.85Å; K47-Y49 WeakPolarHBondContact O-CD2 3.32Å; Y49-L96 HydrophobicContact CD1-CD1 3.92Å; Y49-L96 HydrophobicContact CD1-CD2 4.36Å; Y49-L96 HydrophobicContact CD1-CG 4.16Å; Y49-L96 HydrophobicContact CG-CD1 4.01Å; Y49-F97 WeakPolarHBondContact CA-O 3.42Å
50A98Very high92.5Very high12 Ų1261.1 Ų61.110%0.09933%0.332CS..EExtended strand (participates in β ladder)trans-104.3122.7166.900000109.4V35 Y36 F97 Y99V35-A50 HydrophobicContact CG1-CB 4.35Å; Y36-A50 WeakPolarHBondContact O-CA 3.47Å; A50-F97 HydrophobicContact CB-CB 4.28Å; A50-F97 PolarHBondContact N-O 2.88Å; A50-F97 PolarHBondContact O-N 2.73Å; A50-Y99 HydrophobicContact CB-CD2 4.12Å
51L97.6Very high91.6Very high0 Ų064.9 Ų64.90%036%0.355CS..EExtended strand (participates in β ladder)trans-103.1115.5170.1-82.3173.6000109.2V16 F20 Y22 V35 Y36 A38 F85 W94 L95 L96V16-L51 HydrophobicContact CG2-CD1 3.53Å; V16-L51 HydrophobicContact CG2-CD2 3.72Å; V16-L51 HydrophobicContact CG2-CG 4.29Å; F20-L51 HydrophobicContact CB-CD1 3.77Å; F20-L51 HydrophobicContact CD2-CD1 4.38Å; F20-L51 HydrophobicContact CG-CD1 4.05Å; Y22-L51 HydrophobicContact CD1-CD1 3.65Å; Y22-L51 HydrophobicContact CE1-CD1 4.26Å; Y22-L51 HydrophobicContact CG-CD1 4.05Å; V35-L51 CarbonylContact C-O 2.99Å; V35-L51 WeakPolarHBondContact CA-O 3.17Å; Y36-L51 PolarHBondContact N-O 2.79Å; Y36-L51 PolarHBondContact O-N 2.91Å; A38-L51 HydrophobicContact CB-CB 4.49Å; A38-L51 HydrophobicContact CB-CD1 3.68Å; A38-L51 HydrophobicContact CB-CG 3.96Å; L51-F85 HydrophobicContact CD2-CD2 4.5Å; L51-F85 HydrophobicContact CD2-CE2 4.36Å; L51-W94 HydrophobicContact CB-CE3 4.21Å; L51-W94 HydrophobicContact CB-CZ3 4.38Å; L51-L95 WeakPolarHBondContact CA-O 3.05Å; L51-L96 HydrophobicContact CD2-CB 4.29Å; L51-L96 HydrophobicContact CD2-CD1 3.7Å; L51-L96 HydrophobicContact CG-CD1 4.09Å
52K95.7Very high90.8Very high17 Ų1761.7 Ų61.77%0.07435%0.346CS..EExtended strand (participates in β ladder)trans-99.9110.9173.3-177.6180177.8-175.60109.3H34 V35 E66 W94 L95 F97 D173H34-K52 CarbonylContact O-C 3.54Å; H34-K52 WeakPolarHBondContact O-CA 3.29Å; V35-K52 HydrophobicContact CG2-CB 4.37Å; V35-K52 HydrophobicContact CG2-CG 4.22Å; K52-E66 VanDerWaalsContact NZ-CD 3.3Å; K52-E66 IonicContact NZ-OE1 3.97Å; K52-E66 PolarHBondContact NZ-OE1 2.87Å; K52-E66 IonicContact NZ-OE2 2.97Å; K52-E66 PolarHBondContact NZ-OE2 3.25Å; K52-W94 CarbonylContact O-C 3.58Å; K52-W94 WeakPolarHBondContact O-CA 3.36Å; K52-L95 HydrophobicContact CB-CB 4.37Å; K52-L95 PolarHBondContact N-O 3.06Å; K52-L95 PolarHBondContact O-N 3.44Å; K52-F97 HydrophobicContact CB-CE2 4.03Å; K52-D173 IonicContact NZ-OD1 3.9Å
53Q95Very high90.4Very high26 Ų2658.7 Ų58.712%0.12133%0.33CS..EExtended strand (participates in β ladder)trans-81.3119.1165.1-166.1-174.156.900108.4G33 H34 Y36 K92 W94G33-Q53 WeakPolarHBondContact CA-O 3.38Å; H34-Q53 HydrophobicContact CB-CB 4.45Å; H34-Q53 PolarHBondContact N-O 3.31Å; H34-Q53 PolarHBondContact O-N 3.38Å; Y36-Q53 HydrophobicContact CE2-CB 4.4Å; Q53-K92 HydrophobicContact CG-CD 4.34Å; Q53-W94 HydrophobicContact CB-CD2 3.94Å; Q53-W94 HydrophobicContact CB-CE3 3.64Å; Q53-W94 HydrophobicContact CB-CH2 3.77Å; Q53-W94 HydrophobicContact CB-CZ2 4.06Å; Q53-W94 HydrophobicContact CB-CZ3 3.57Å; Q53-W94 HydrophobicContact CG-CD2 3.97Å; Q53-W94 HydrophobicContact CG-CE3 4.19Å; Q53-W94 HydrophobicContact CG-CH2 3.97Å; Q53-W94 HydrophobicContact CG-CZ2 3.74Å; Q53-W94 HydrophobicContact CG-CZ3 4.2Å
54I90.9Very high90.3Very high12 Ų1258.9 Ų58.96%0.06232%0.321CS..EExtended strand (participates in β ladder)trans-71138.8178.6-56.7-175.2000110.1A63 V93 L95I54-A63 HydrophobicContact CD1-CB 3.59Å; I54-A63 HydrophobicContact CG2-CB 4.11Å; I54-V93 HydrophobicContact CB-CB 4.38Å; I54-V93 HydrophobicContact CD1-CB 4.12Å; I54-V93 HydrophobicContact CD1-CG1 3.73Å; I54-V93 HydrophobicContact CG1-CB 4.36Å; I54-V93 HydrophobicContact CG1-CG1 4.32Å; I54-V93 PolarHBondContact N-O 2.63Å; I54-L95 HydrophobicContact CD1-CD1 3.99Å; I54-L95 HydrophobicContact CD1-CD2 4.42Å; I54-L95 HydrophobicContact CD1-CG 4.11Å; I54-L95 HydrophobicContact CG1-CD1 4.39Å; I54-L95 HydrophobicContact CG1-CG 4.35Å
55E86.1Confident89.9Confident96 Ų9652.6 Ų52.645%0.44929%0.293SS..SBendtrans-59.5145.8176-16853.3-133.200112.5Y32 H34Y32-E55 PolarHBondContact O-N 2.84Å; H34-E55 IonicContact CE1-OE2 3.5Å
56G87Confident89.6Confident35 Ų3551 Ų5136%0.36128%0.284SS..SBendtrans80.1-160-17800000114.5K92G56-K92 WeakPolarHBondContact O-CD 3.43Å; G56-K92 WeakPolarHBondContact O-CE 3.38Å; G56-K92 PolarHBondContact O-NZ 3.08Å
57T88.1Confident89.6Confident93 Ų9346.2 Ų46.257%0.57126%0.258SS*.SBendtrans-132.8152.117959.90000110.8
58G89.3Confident89.3Confident19 Ų1943.5 Ų43.520%0.19626%0.257CS..SBendtrans72-163.8-174.200000113.1R91 V93G58-R91 PolarHBondContact N-O 3.18Å; G58-V93 WeakPolarHBondContact O-CG2 3.25Å
59I87.6Confident89Confident108 Ų10842 Ų4255%0.55425%0.249SC*.  trans-101.695.5-179.3-55.4177000107.9A63 C64 V93I59-A63 HydrophobicContact CG2-CB 4.29Å; I59-C64 HydrophobicContact CG2-CB 3.7Å; I59-V93 HydrophobicContact CG1-CG2 4.34Å
60S85.1Confident88.8Confident49 Ų4941.5 Ų41.534%0.34325%0.247SC..  trans-67.2162171.771.30000111.1S62 A63 C64S60-S62 PolarHBondContact O-N 2.87Å; S60-A63 WeakPolarHBondContact O-CB 3.42Å; S60-A63 PolarHBondContact O-N 3.09Å; S60-A63 VanDerWaalsContact O-N 3.08Å; S60-A63 WeakPolarHBondContact OG-CB 3.25Å; S60-A63 PolarHBondContact OG-N 2.89Å; S60-A63 VanDerWaalsContact OG-N 3.09Å; S60-C64 WeakPolarHBondContact O-CB 3.35Å; S60-C64 PolarHBondContact O-N 2.94Å
61M79.3Confident88.6Confident153 Ų15349.1 Ų49.175%0.75427%0.273SS*.Hα-helixtrans-57.3-33.3173.9-72.8-60.9-63.500112.3R65M61-R65 VanDerWaalsContact O-CB 3.28Å; M61-R65 WeakPolarHBondContact O-CB 3.42Å; M61-R65 PolarHBondContact O-N 3.35Å
62S79.8Confident88.5Confident40 Ų4056.3 Ų56.328%0.2831%0.307SS..Hα-helixtrans-67.8-46.6173.8-64.40000111.8S60 R65 E66S60-S62 PolarHBondContact O-N 2.87Å; S62-R65 PolarHBondContact O-N 2.72Å; S62-R65 PolarHBondContact OG-NH2 3.44Å; S62-E66 WeakPolarHBondContact O-CB 3.04Å; S62-E66 PolarHBondContact O-N 3.37Å
63A84.5Confident88.4Confident0 Ų056.1 Ų56.10%031%0.307CS..Hα-helixtrans-60.8-48.3176.700000112.4I54 I59 S60 R65 E66 I67I54-A63 HydrophobicContact CD1-CB 3.59Å; I54-A63 HydrophobicContact CG2-CB 4.11Å; I59-A63 HydrophobicContact CG2-CB 4.29Å; S60-A63 WeakPolarHBondContact O-CB 3.42Å; S60-A63 PolarHBondContact O-N 3.09Å; S60-A63 VanDerWaalsContact O-N 3.08Å; S60-A63 WeakPolarHBondContact OG-CB 3.25Å; S60-A63 PolarHBondContact OG-N 2.89Å; S60-A63 VanDerWaalsContact OG-N 3.09Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 2.94Å; A63-E66 PolarHBondContact O-N 3.19Å; A63-I67 WeakPolarHBondContact O-CB 3.05Å; A63-I67 VanDerWaalsContact O-CG1 3.3Å; A63-I67 WeakPolarHBondContact O-CG1 3.26Å; A63-I67 PolarHBondContact O-N 3.49Å
64C86.1Confident88.6Confident65 Ų6563.3 Ų63.344%0.43934%0.338SS..Hα-helixtrans-56.8-48.6179.8-178.80000111.1I59 S60 A68I59-C64 HydrophobicContact CG2-CB 3.7Å; S60-C64 WeakPolarHBondContact O-CB 3.35Å; S60-C64 PolarHBondContact O-N 2.94Å; C64-A68 VanDerWaalsContact O-CB 3.26Å; C64-A68 WeakPolarHBondContact O-CB 3.29Å; C64-A68 PolarHBondContact O-N 2.88Å
65R83.7Confident88.9Confident25 Ų2564.5 Ų64.59%0.09434%0.343CS..Hα-helixtrans-65.2-45.7178.7173.6-167.328.5175.7-2112.2M61 S62 A63 I67 A68 L69 G175 F176 A177M61-R65 VanDerWaalsContact O-CB 3.28Å; M61-R65 WeakPolarHBondContact O-CB 3.42Å; M61-R65 PolarHBondContact O-N 3.35Å; S62-R65 PolarHBondContact O-N 2.72Å; S62-R65 PolarHBondContact OG-NH2 3.44Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-R65 PolarHBondContact O-N 2.94Å; R65-I67 VanDerWaalsContact C-N 3.31Å; R65-I67 PolarHBondContact O-N 3.44Å; R65-A68 PolarHBondContact O-N 2.75Å; R65-L69 HydrophobicContact CG-CD1 3.79Å; R65-L69 HydrophobicContact CG-CG 4.28Å; R65-L69 WeakPolarHBondContact O-CB 3.35Å; R65-L69 WeakPolarHBondContact O-CG 3.46Å; R65-L69 PolarHBondContact O-N 3.1Å; R65-G175 PolarHBondContact NH1-O 2.78Å; R65-G175 PolarHBondContact NH2-O 2.82Å; R65-F176 PolarHBondContact NH1-O 3.28Å; R65-A177 WeakPolarHBondContact CD-O 3.11Å; R65-A177 PolarHBondContact NE-O 3.45Å; R65-A177 PolarHBondContact NH1-O 3.33Å
66E86.5Confident89.5Confident7 Ų763 Ų633%0.03334%0.342CS..Hα-helixtrans-59.6-45.3-179.6-176.8168.8-161.800110.2K52 S62 A63 L70 L95K52-E66 VanDerWaalsContact NZ-CD 3.3Å; K52-E66 IonicContact NZ-OE1 3.97Å; K52-E66 PolarHBondContact NZ-OE1 2.87Å; K52-E66 IonicContact NZ-OE2 2.97Å; K52-E66 PolarHBondContact NZ-OE2 3.25Å; S62-E66 WeakPolarHBondContact O-CB 3.04Å; S62-E66 PolarHBondContact O-N 3.37Å; A63-E66 PolarHBondContact O-N 3.19Å; E66-L70 HydrophobicContact CG-CD1 3.57Å; E66-L70 HydrophobicContact CG-CG 4.43Å; E66-L70 VanDerWaalsContact O-CB 3.25Å; E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 VanDerWaalsContact O-CG 3.25Å; E66-L70 WeakPolarHBondContact O-CG 3.29Å; E66-L70 PolarHBondContact O-N 3.38Å; E66-L95 HydrophobicContact CG-CD1 4.03Å
67I90.6Very high90.1Very high38 Ų3861.7 Ų61.720%0.19533%0.326CS..Hα-helixtrans-61.9-50174.2-66.8165.2000111.1A63 R65 L69 R71 V84 V93 L95A63-I67 WeakPolarHBondContact O-CB 3.05Å; A63-I67 VanDerWaalsContact O-CG1 3.3Å; A63-I67 WeakPolarHBondContact O-CG1 3.26Å; A63-I67 PolarHBondContact O-N 3.49Å; R65-I67 VanDerWaalsContact C-N 3.31Å; R65-I67 PolarHBondContact O-N 3.44Å; I67-L69 PolarHBondContact O-N 3.12Å; I67-R71 VanDerWaalsContact O-CB 3.22Å; I67-R71 WeakPolarHBondContact O-CB 3.5Å; I67-R71 PolarHBondContact O-N 2.9Å; I67-V84 HydrophobicContact CD1-CG1 4.15Å; I67-V84 HydrophobicContact CG1-CG2 4.37Å; I67-V84 HydrophobicContact CG2-CG2 4.25Å; I67-V93 HydrophobicContact CD1-CG1 3.99Å; I67-L95 HydrophobicContact CD1-CD2 4.22Å; I67-L95 HydrophobicContact CG1-CD2 3.72Å
68A90Very high90.6Very high55 Ų5557.4 Ų57.446%0.45530%0.3SS..Hα-helixtrans-61.7-43.1-175.900000112.5C64 R65C64-A68 VanDerWaalsContact O-CB 3.26Å; C64-A68 WeakPolarHBondContact O-CB 3.29Å; C64-A68 PolarHBondContact O-N 2.88Å; R65-A68 PolarHBondContact O-N 2.75Å
69L90.9Very high91Very high16 Ų1657.1 Ų57.18%0.08429%0.294CS..Hα-helixtrans-71-51.5178.4-69.1175.6000111.3R65 I67 R71 E72 L73 V147 A177 L179R65-L69 HydrophobicContact CG-CD1 3.79Å; R65-L69 HydrophobicContact CG-CG 4.28Å; R65-L69 WeakPolarHBondContact O-CB 3.35Å; R65-L69 WeakPolarHBondContact O-CG 3.46Å; R65-L69 PolarHBondContact O-N 3.1Å; I67-L69 PolarHBondContact O-N 3.12Å; L69-R71 PolarHBondContact O-N 3.4Å; L69-R71 VanDerWaalsContact O-N 3.15Å; L69-E72 PolarHBondContact O-N 3.03Å; L69-L73 HydrophobicContact CB-CD1 4.09Å; L69-L73 WeakPolarHBondContact O-CG 3.31Å; L69-L73 PolarHBondContact O-N 3.31Å; L69-V147 HydrophobicContact CD1-CG1 4.32Å; L69-V147 HydrophobicContact CD2-CG2 3.91Å; L69-A177 HydrophobicContact CD1-CB 3.65Å; L69-L179 HydrophobicContact CD2-CD2 3.95Å; L69-L179 HydrophobicContact CD2-CG 4.09Å
70L93.7Very high91.4Very high5 Ų554.2 Ų54.23%0.02628%0.283CS..Hα-helixtrans-67.6-16.9-176.1-67.3171.9000113.2E66 I79 L81 F97 M174E66-L70 HydrophobicContact CG-CD1 3.57Å; E66-L70 HydrophobicContact CG-CG 4.43Å; E66-L70 VanDerWaalsContact O-CB 3.25Å; E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 VanDerWaalsContact O-CG 3.25Å; E66-L70 WeakPolarHBondContact O-CG 3.29Å; E66-L70 PolarHBondContact O-N 3.38Å; L70-I79 HydrophobicContact CD2-CG2 4.01Å; L70-L81 HydrophobicContact CB-CB 3.75Å; L70-L81 HydrophobicContact CB-CD2 4.05Å; L70-F97 HydrophobicContact CD1-CE1 3.95Å; L70-F97 HydrophobicContact CD1-CZ 4.07Å; L70-M174 HydrophobicContact CD2-CG 3.77Å; L70-M174 HydrophobicContact CG-CG 4.24Å
71R94.1Very high92Very high173 Ų17352.4 Ų52.465%0.65327%0.27SS*.Hα-helixtrans-71.4-32.3172.9-169.858.8172.6165.71.1112.9I67 L69I67-R71 VanDerWaalsContact O-CB 3.22Å; I67-R71 WeakPolarHBondContact O-CB 3.5Å; I67-R71 PolarHBondContact O-N 2.9Å; L69-R71 PolarHBondContact O-N 3.4Å; L69-R71 VanDerWaalsContact O-N 3.15Å
72E94.1Very high92.8Very high150 Ų15049 Ų4970%0.70125%0.251SS*.Hα-helixtrans-96.9-30.8-177.1-58.6-55.4126.400112.7L69 K74L69-E72 PolarHBondContact O-N 3.03Å; E72-K74 PolarHBondContact O-N 3Å
73L95.1Very high93.6Very high14 Ų1451.1 Ų51.17%0.07326%0.256CS..  trans-72.9128-176.6-66.7170.3000111.5L69 Y141 L142 N145 V147L69-L73 HydrophobicContact CB-CD1 4.09Å; L69-L73 WeakPolarHBondContact O-CG 3.31Å; L69-L73 PolarHBondContact O-N 3.31Å; L73-Y141 HydrophobicContact CB-CE1 4.25Å; L73-Y141 HydrophobicContact CD2-CD1 4.46Å; L73-Y141 HydrophobicContact CD2-CE1 3.64Å; L73-L142 HydrophobicContact CD1-CD2 3.68Å; L73-L142 HydrophobicContact CD2-CD2 3.87Å; L73-L142 HydrophobicContact CG-CD2 4.38Å; L73-N145 HydrophobicContact CD2-CB 4.37Å; L73-V147 HydrophobicContact CD2-CG2 4.28Å
74K97.6Very high94.3Very high177 Ų17753.6 Ų53.677%0.7727%0.271SS*.  trans-142.4101.1177.9-172.2176.1-178.2177.50110.9E72 Y141E72-K74 PolarHBondContact O-N 3Å; K74-Y141 PolarHBondContact N-OH 3.16Å; K74-Y141 PolarHBondContact O-OH 2.83Å
75H98.6Very high94.8Very high36 Ų3651 Ų5117%0.16725%0.252CS..  trans-149.6143.2177.4-171.8-97.1000110.5N77 V78 D137 Y141H75-N77 PolarHBondContact ND1-N 3.17Å; H75-N77 PolarHBondContact O-N 2.83Å; H75-N77 VanDerWaalsContact O-N 3.11Å; H75-V78 HydrophobicContact CB-CB 4.18Å; H75-V78 HydrophobicContact CB-CG2 3.98Å; H75-V78 PolarHBondContact O-N 3.34Å; H75-V78 VanDerWaalsContact O-N 3.11Å; H75-V78 VanDerWaalsContact O-O 3.12Å; H75-D137 IonicContact CE1-OD1 3.74Å; H75-D137 IonicContact CE1-OD2 2.7Å; H75-D137 PolarHBondContact CE1-OD2 3.46Å; H75-D137 IonicContact NE2-OD1 3.08Å; H75-D137 IonicContact NE2-OD2 3.68Å; H75-Y141 HydrophobicContact CB-CD1 3.45Å; H75-Y141 VanDerWaalsContact CB-CD1 3.45Å; H75-Y141 HydrophobicContact CB-CD2 4.07Å; H75-Y141 HydrophobicContact CB-CE1 3.7Å; H75-Y141 HydrophobicContact CB-CE2 4.3Å; H75-Y141 HydrophobicContact CB-CG 3.64Å; H75-Y141 AromaticContact CD2-CD2 3.75Å; H75-Y141 AromaticContact CD2-CG 3.65Å; H75-Y141 AromaticContact CG-CD1 3.96Å; H75-Y141 AromaticContact CG-CG 3.68Å
76P98.5Very high95.4Very high66 Ų6653.2 Ų53.243%0.42927%0.265SS..THydrogen-bonded Turntrans-54.3-33.4179.4-27.535.7000113.8R168 K170P76-R168 WeakPolarHBondContact O-CD 3.14Å; P76-K170 VanDerWaalsContact O-CD 3.31Å; P76-K170 WeakPolarHBondContact O-CD 3.29Å; P76-K170 WeakPolarHBondContact O-CE 3.35Å; P76-K170 PolarHBondContact O-NZ 3.4Å
77N98.8Very high95.9Very high7 Ų754.2 Ų54.24%0.03727%0.273CS..THydrogen-bonded Turntrans-98.213.3-178.7-58.2115.5000116H75 Q134 D137 V169 I171H75-N77 PolarHBondContact ND1-N 3.17Å; H75-N77 PolarHBondContact O-N 2.83Å; H75-N77 VanDerWaalsContact O-N 3.11Å; N77-Q134 WeakPolarHBondContact CB-O 3.25Å; N77-Q134 PolarHBondContact ND2-OE1 2.76Å; N77-D137 PolarHBondContact OD1-OD2 3.03Å; N77-V169 VanDerWaalsContact CA-O 3.25Å; N77-V169 WeakPolarHBondContact CA-O 3.36Å; N77-V169 PolarHBondContact ND2-O 3.08Å; N77-I171 WeakPolarHBondContact O-CG1 3.16Å; N77-I171 PolarHBondContact O-N 3.45Å
78V98.4Very high96Very high2 Ų258.3 Ų58.31%0.01229%0.291CS..BIsolated β-bridgetrans-118.6139170.9179.30000108.2H75 S80 Y141 L142 M174H75-V78 HydrophobicContact CB-CB 4.18Å; H75-V78 HydrophobicContact CB-CG2 3.98Å; H75-V78 PolarHBondContact O-N 3.34Å; H75-V78 VanDerWaalsContact O-N 3.11Å; H75-V78 VanDerWaalsContact O-O 3.12Å; V78-S80 PolarHBondContact O-N 2.99Å; V78-Y141 HydrophobicContact CG2-CD1 4.13Å; V78-L142 HydrophobicContact CG1-CD2 4.36Å; V78-L142 HydrophobicContact CG2-CD2 4.05Å; V78-L142 HydrophobicContact CG2-CG 4.13Å; V78-M174 HydrophobicContact CG1-CE 4.18Å
79I97.4Very high96.1Very high13 Ų1360.7 Ų60.77%0.06731%0.311CS..  trans-61.4135.2179.1-163.767.2000110.5L70 F97 L158 K170 I171 A172L70-I79 HydrophobicContact CD2-CG2 4.01Å; I79-F97 HydrophobicContact CD1-CB 4.32Å; I79-F97 HydrophobicContact CG1-CB 4.2Å; I79-F97 HydrophobicContact CG1-CD1 3.68Å; I79-F97 HydrophobicContact CG1-CE1 4.34Å; I79-F97 HydrophobicContact CG1-CG 4.1Å; I79-F97 HydrophobicContact CG2-CE1 4.41Å; I79-L158 HydrophobicContact CD1-CD1 4.4Å; I79-K170 HydrophobicContact CB-CB 4.45Å; I79-K170 HydrophobicContact CD1-CB 4.03Å; I79-K170 HydrophobicContact CD1-CG 4.24Å; I79-I171 PolarHBondContact N-O 3.21Å; I79-A172 HydrophobicContact CB-CB 4.28Å; I79-A172 HydrophobicContact CG2-CB 4.13Å
80S96.6Very high96.2Very high48 Ų4863.4 Ų63.434%0.33633%0.326SS..  trans-102120.8-175.1-1760000111.1V78 Q82 F97V78-S80 PolarHBondContact O-N 2.99Å; S80-Q82 PolarHBondContact O-N 2.87Å; S80-F97 WeakPolarHBondContact O-CD1 3.32Å
81L97.4Very high96.3Very high11 Ų1170.8 Ų70.86%0.05835%0.353CS..  trans-72.7113.9174.2176.764.9000110.3L70 K83 V84 L95 F97L70-L81 HydrophobicContact CB-CB 3.75Å; L70-L81 HydrophobicContact CB-CD2 4.05Å; L81-K83 WeakPolarHBondContact CD1-O 3.39Å; L81-V84 HydrophobicContact CD1-CG2 4.18Å; L81-V84 HydrophobicContact CD2-CG2 3.77Å; L81-V84 HydrophobicContact CG-CG2 4.29Å; L81-L95 HydrophobicContact CD1-CB 3.82Å; L81-L95 HydrophobicContact CD1-CD2 4.01Å; L81-L95 HydrophobicContact CD1-CG 4.36Å; L81-F97 HydrophobicContact CB-CE1 4.01Å; L81-F97 HydrophobicContact CD1-CE1 3.88Å; L81-F97 HydrophobicContact CD1-CZ 4.03Å
82Q96.9Very high96.3Very high80 Ų8064.5 Ų64.537%0.37433%0.331SS..  trans-82.3-50.5-178.5-62.7-66.3-7.300111.5S80 L96 D98S80-Q82 PolarHBondContact O-N 2.87Å; Q82-L96 HydrophobicContact CB-CB 4.35Å; Q82-L96 HydrophobicContact CB-CD2 4.02Å; Q82-L96 HydrophobicContact CB-CG 4.11Å; Q82-L96 WeakPolarHBondContact CB-O 3.25Å; Q82-L96 PolarHBondContact N-O 3.09Å; Q82-D98 PolarHBondContact NE2-OD2 2.7Å
83K97.3Very high96.4Very high85 Ų8557.6 Ų57.637%0.3730%0.299SS..EExtended strand (participates in β ladder)trans-149.1157.6-179.6-78.2-168.7173.1-171.50111.6E14 L81 F85 L96E14-K83 IonicContact OE1-NZ 2.96Å; E14-K83 PolarHBondContact OE1-NZ 2.96Å; E14-K83 IonicContact OE2-NZ 2.7Å; E14-K83 PolarHBondContact OE2-NZ 3.01Å; L81-K83 WeakPolarHBondContact CD1-O 3.39Å; K83-F85 HydrophobicContact CB-CE2 4.12Å; K83-F85 HydrophobicContact CB-CZ 4Å; K83-F85 HydrophobicContact CD-CE1 4.24Å; K83-F85 HydrophobicContact CD-CZ 3.88Å; K83-L96 HydrophobicContact CB-CB 4.11Å; K83-L96 HydrophobicContact CB-CD2 4.06Å; K83-L96 HydrophobicContact CG-CD2 4.46Å; K83-L96 PolarHBondContact O-N 3.48Å
84V97.6Very high96.5Very high53 Ų5357.4 Ų57.432%0.32130%0.297SS..EExtended strand (participates in β ladder)trans-118.8128.4170.3-178.30000108.1I67 L81 L86 V93 W94 L95I67-V84 HydrophobicContact CD1-CG1 4.15Å; I67-V84 HydrophobicContact CG1-CG2 4.37Å; I67-V84 HydrophobicContact CG2-CG2 4.25Å; L81-V84 HydrophobicContact CD1-CG2 4.18Å; L81-V84 HydrophobicContact CD2-CG2 3.77Å; L81-V84 HydrophobicContact CG-CG2 4.29Å; V84-L86 HydrophobicContact CG1-CD2 4.09Å; V84-L86 HydrophobicContact CG1-CG 4.42Å; V84-V93 HydrophobicContact CG1-CG1 4.31Å; V84-W94 CarbonylContact C-O 3.55Å; V84-W94 WeakPolarHBondContact CA-O 3.32Å; V84-L95 HydrophobicContact CB-CD2 4.46Å; V84-L95 HydrophobicContact CG1-CD2 4.13Å; V84-L95 HydrophobicContact CG2-CD2 3.88Å
85F97.6Very high96.5Very high9 Ų949 Ų494%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-109.2130.7170.7-51.3-83.9000110E14 V16 L19 F20 L51 K83 W94 L96E14-F85 HydrophobicContact CB-CE1 4.24Å; V16-F85 HydrophobicContact CB-CB 4.28Å; V16-F85 HydrophobicContact CB-CD2 4.17Å; V16-F85 HydrophobicContact CB-CG 4.13Å; V16-F85 HydrophobicContact CG2-CD2 4.2Å; L19-F85 HydrophobicContact CD1-CE1 3.77Å; L19-F85 HydrophobicContact CD1-CZ 4.12Å; F20-F85 HydrophobicContact CD2-CZ 4.48Å; F20-F85 HydrophobicContact CE2-CE2 4.03Å; F20-F85 AromaticContact CE2-CZ 3.8Å; F20-F85 HydrophobicContact CE2-CZ 3.8Å; L51-F85 HydrophobicContact CD2-CD2 4.5Å; L51-F85 HydrophobicContact CD2-CE2 4.36Å; K83-F85 HydrophobicContact CB-CE2 4.12Å; K83-F85 HydrophobicContact CB-CZ 4Å; K83-F85 HydrophobicContact CD-CE1 4.24Å; K83-F85 HydrophobicContact CD-CZ 3.88Å; F85-W94 HydrophobicContact CB-CB 4.12Å; F85-W94 HydrophobicContact CD2-CB 4.28Å; F85-W94 PolarHBondContact N-O 2.82Å; F85-W94 PolarHBondContact O-N 3.09Å; F85-L96 HydrophobicContact CE2-CB 4.11Å; F85-L96 HydrophobicContact CE2-CD2 4.43Å
86L96.7Very high96.5Very high72 Ų7247.6 Ų47.638%0.37725%0.254SS..EExtended strand (participates in β ladder)trans-110.7104.5175.4-60179.1000108R13 V84 H88 V93R13-L86 PolarHBondContact NH1-O 3.11Å; V84-L86 HydrophobicContact CG1-CD2 4.09Å; V84-L86 HydrophobicContact CG1-CG 4.42Å; L86-H88 PolarHBondContact O-CD2 2.64Å; L86-H88 PolarHBondContact O-N 3.33Å; L86-V93 HydrophobicContact CD2-CB 4.43Å; L86-V93 HydrophobicContact CD2-CG1 4.08Å; L86-V93 HydrophobicContact CD2-CG2 3.9Å
87S95.4Very high96.4Very high28 Ų2845.2 Ų45.220%0.19624%0.237CC..  trans-81.6114.8174173.70000108.9D90 R91 K92S87-D90 WeakPolarHBondContact CB-OD1 3.44Å; S87-D90 PolarHBondContact OG-OD1 3.21Å; S87-R91 CarbonylContact O-C 3.58Å; S87-R91 WeakPolarHBondContact O-CA 3.24Å; S87-R91 PolarHBondContact O-N 2.91Å; S87-K92 PolarHBondContact N-O 3.27Å; S87-K92 PolarHBondContact O-N 3.11Å
88H93.2Very high96.4Very high124 Ų12446.6 Ų46.657%0.57424%0.244SC*.THydrogen-bonded Turntrans-78.7-27.6-175.3-83-132.9000113R13 L86R13-H88 VanDerWaalsContact CZ-CD2 3.49Å; R13-H88 VanDerWaalsContact CZ-NE2 3.28Å; R13-H88 PolarHBondContact NH1-CD2 3.08Å; R13-H88 PolarHBondContact NH1-NE2 2.87Å; R13-H88 PolarHBondContact NH2-CE1 3.03Å; R13-H88 PolarHBondContact NH2-NE2 3.27Å; L86-H88 PolarHBondContact O-CD2 2.64Å; L86-H88 PolarHBondContact O-N 3.33Å
89A92.6Very high96.4Very high105 Ų10547.4 Ų47.487%0.86825%0.247SC*.THydrogen-bonded Turntrans-70.4-48.5-174.500000112
90D93.6Very high96.4Very high74 Ų7447 Ų4740%0.39625%0.246SC..THydrogen-bonded Turntrans-102.8-0.2179.966-4.5000113.1S87 K92S87-D90 WeakPolarHBondContact CB-OD1 3.44Å; S87-D90 PolarHBondContact OG-OD1 3.21Å; D90-K92 HydrophobicContact CB-CG 4.18Å; D90-K92 PolarHBondContact O-N 3.06Å; D90-K92 WeakPolarHBondContact OD1-CB 3.46Å; D90-K92 PolarHBondContact OD1-N 3.25Å; D90-K92 WeakPolarHBondContact OD2-CG 3.38Å
91R94.9Very high96.5Very high160 Ų16045.6 Ų45.660%0.60423%0.234SC*.  trans5829.7-178.2-55.3177.264.4-175.1-0.5112.8G58 S87G58-R91 PolarHBondContact N-O 3.18Å; S87-R91 CarbonylContact O-C 3.58Å; S87-R91 WeakPolarHBondContact O-CA 3.24Å; S87-R91 PolarHBondContact O-N 2.91Å
92K94.9Very high96.5Very high41 Ų4145.6 Ų45.618%0.17823%0.234CC..  trans-85.1147.4176.9-67.3-68.4-174.4171.50112.2Q53 G56 S87 D90Q53-K92 HydrophobicContact CG-CD 4.34Å; G56-K92 WeakPolarHBondContact O-CD 3.43Å; G56-K92 WeakPolarHBondContact O-CE 3.38Å; G56-K92 PolarHBondContact O-NZ 3.08Å; S87-K92 PolarHBondContact N-O 3.27Å; S87-K92 PolarHBondContact O-N 3.11Å; D90-K92 HydrophobicContact CB-CG 4.18Å; D90-K92 PolarHBondContact O-N 3.06Å; D90-K92 WeakPolarHBondContact OD1-CB 3.46Å; D90-K92 PolarHBondContact OD1-N 3.25Å; D90-K92 WeakPolarHBondContact OD2-CG 3.38Å
93V95.8Very high96.6Very high5 Ų542.1 Ų42.13%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-112.6129176.5-178.60000108.6I54 G58 I59 I67 V84 L86 L95I54-V93 HydrophobicContact CB-CB 4.38Å; I54-V93 HydrophobicContact CD1-CB 4.12Å; I54-V93 HydrophobicContact CD1-CG1 3.73Å; I54-V93 HydrophobicContact CG1-CB 4.36Å; I54-V93 HydrophobicContact CG1-CG1 4.32Å; I54-V93 PolarHBondContact N-O 2.63Å; G58-V93 WeakPolarHBondContact O-CG2 3.25Å; I59-V93 HydrophobicContact CG1-CG2 4.34Å; I67-V93 HydrophobicContact CD1-CG1 3.99Å; V84-V93 HydrophobicContact CG1-CG1 4.31Å; L86-V93 HydrophobicContact CD2-CB 4.43Å; L86-V93 HydrophobicContact CD2-CG1 4.08Å; L86-V93 HydrophobicContact CD2-CG2 3.9Å; V93-L95 HydrophobicContact CG1-CD2 4.33Å
94W96.9Very high96.6Very high10 Ų1038 Ų384%0.03820%0.2CC..EExtended strand (participates in β ladder)trans-121.5136178.4-60.982.8000110.8V16 Y22 Y36 L51 K52 Q53 V84 F85V16-W94 HydrophobicContact CG1-CD2 4.15Å; V16-W94 HydrophobicContact CG1-CG 4.16Å; V16-W94 HydrophobicContact CG1-CZ2 4.48Å; V16-W94 HydrophobicContact CG2-CD2 4.37Å; V16-W94 HydrophobicContact CG2-CE3 4.45Å; V16-W94 HydrophobicContact CG2-CG 4.46Å; Y22-W94 AromaticContact CE2-CH2 3.81Å; Y22-W94 HydrophobicContact CE2-CH2 3.81Å; Y22-W94 HydrophobicContact CE2-CZ3 4.3Å; Y36-W94 HydrophobicContact CD2-CH2 4.38Å; Y36-W94 AromaticContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CD2-CZ3 3.82Å; Y36-W94 AromaticContact CE2-CH2 3.97Å; Y36-W94 HydrophobicContact CE2-CH2 3.97Å; Y36-W94 AromaticContact CE2-CZ3 3.8Å; Y36-W94 HydrophobicContact CE2-CZ3 3.8Å; L51-W94 HydrophobicContact CB-CE3 4.21Å; L51-W94 HydrophobicContact CB-CZ3 4.38Å; K52-W94 CarbonylContact O-C 3.58Å; K52-W94 WeakPolarHBondContact O-CA 3.36Å; Q53-W94 HydrophobicContact CB-CD2 3.94Å; Q53-W94 HydrophobicContact CB-CE3 3.64Å; Q53-W94 HydrophobicContact CB-CH2 3.77Å; Q53-W94 HydrophobicContact CB-CZ2 4.06Å; Q53-W94 HydrophobicContact CB-CZ3 3.57Å; Q53-W94 HydrophobicContact CG-CD2 3.97Å; Q53-W94 HydrophobicContact CG-CE3 4.19Å; Q53-W94 HydrophobicContact CG-CH2 3.97Å; Q53-W94 HydrophobicContact CG-CZ2 3.74Å; Q53-W94 HydrophobicContact CG-CZ3 4.2Å; V84-W94 CarbonylContact C-O 3.55Å; V84-W94 WeakPolarHBondContact CA-O 3.32Å; F85-W94 HydrophobicContact CB-CB 4.12Å; F85-W94 HydrophobicContact CD2-CB 4.28Å; F85-W94 PolarHBondContact N-O 2.82Å; F85-W94 PolarHBondContact O-N 3.09Å
95L97Very high96.5Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-114.3131.6176.2-52.5-177.2000109.5L51 K52 I54 E66 I67 L81 V84 V93 F97L51-L95 WeakPolarHBondContact CA-O 3.05Å; K52-L95 HydrophobicContact CB-CB 4.37Å; K52-L95 PolarHBondContact N-O 3.06Å; K52-L95 PolarHBondContact O-N 3.44Å; I54-L95 HydrophobicContact CD1-CD1 3.99Å; I54-L95 HydrophobicContact CD1-CD2 4.42Å; I54-L95 HydrophobicContact CD1-CG 4.11Å; I54-L95 HydrophobicContact CG1-CD1 4.39Å; I54-L95 HydrophobicContact CG1-CG 4.35Å; E66-L95 HydrophobicContact CG-CD1 4.03Å; I67-L95 HydrophobicContact CD1-CD2 4.22Å; I67-L95 HydrophobicContact CG1-CD2 3.72Å; L81-L95 HydrophobicContact CD1-CB 3.82Å; L81-L95 HydrophobicContact CD1-CD2 4.01Å; L81-L95 HydrophobicContact CD1-CG 4.36Å; V84-L95 HydrophobicContact CB-CD2 4.46Å; V84-L95 HydrophobicContact CG1-CD2 4.13Å; V84-L95 HydrophobicContact CG2-CD2 3.88Å; V93-L95 HydrophobicContact CG1-CD2 4.33Å; L95-F97 HydrophobicContact CB-CD2 4.4Å; L95-F97 HydrophobicContact CB-CE2 3.44Å; L95-F97 VanDerWaalsContact CB-CE2 3.44Å; L95-F97 HydrophobicContact CB-CZ 3.59Å; L95-F97 HydrophobicContact CD1-CE2 4.34Å; L95-F97 HydrophobicContact CD1-CZ 3.92Å; L95-F97 HydrophobicContact CG-CZ 4.42Å
96L98Very high96.4Very high7 Ų744.5 Ų44.54%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-102.6132.1178.5-176.672.4000110.6F20 Y49 L51 Q82 K83 F85F20-L96 HydrophobicContact CD1-CD1 4.49Å; F20-L96 HydrophobicContact CE1-CD1 3.83Å; F20-L96 HydrophobicContact CE1-CD2 4.4Å; F20-L96 HydrophobicContact CE2-CD1 4.09Å; F20-L96 HydrophobicContact CE2-CD2 4.07Å; F20-L96 HydrophobicContact CZ-CD1 3.62Å; F20-L96 HydrophobicContact CZ-CD2 3.54Å; F20-L96 HydrophobicContact CZ-CG 4.25Å; Y49-L96 HydrophobicContact CD1-CD1 3.92Å; Y49-L96 HydrophobicContact CD1-CD2 4.36Å; Y49-L96 HydrophobicContact CD1-CG 4.16Å; Y49-L96 HydrophobicContact CG-CD1 4.01Å; L51-L96 HydrophobicContact CD2-CB 4.29Å; L51-L96 HydrophobicContact CD2-CD1 3.7Å; L51-L96 HydrophobicContact CG-CD1 4.09Å; Q82-L96 HydrophobicContact CB-CB 4.35Å; Q82-L96 HydrophobicContact CB-CD2 4.02Å; Q82-L96 HydrophobicContact CB-CG 4.11Å; Q82-L96 WeakPolarHBondContact CB-O 3.25Å; Q82-L96 PolarHBondContact N-O 3.09Å; K83-L96 HydrophobicContact CB-CB 4.11Å; K83-L96 HydrophobicContact CB-CD2 4.06Å; K83-L96 HydrophobicContact CG-CD2 4.46Å; K83-L96 PolarHBondContact O-N 3.48Å; F85-L96 HydrophobicContact CE2-CB 4.11Å; F85-L96 HydrophobicContact CE2-CD2 4.43Å
97F98Very high96.4Very high16 Ų1641 Ų417%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-135.3162.6176.5-51.4-82.5000110.8Y49 A50 K52 L70 I79 S80 L81 L95Y49-F97 WeakPolarHBondContact CA-O 3.42Å; A50-F97 HydrophobicContact CB-CB 4.28Å; A50-F97 PolarHBondContact N-O 2.88Å; A50-F97 PolarHBondContact O-N 2.73Å; K52-F97 HydrophobicContact CB-CE2 4.03Å; L70-F97 HydrophobicContact CD1-CE1 3.95Å; L70-F97 HydrophobicContact CD1-CZ 4.07Å; I79-F97 HydrophobicContact CD1-CB 4.32Å; I79-F97 HydrophobicContact CG1-CB 4.2Å; I79-F97 HydrophobicContact CG1-CD1 3.68Å; I79-F97 HydrophobicContact CG1-CE1 4.34Å; I79-F97 HydrophobicContact CG1-CG 4.1Å; I79-F97 HydrophobicContact CG2-CE1 4.41Å; S80-F97 WeakPolarHBondContact O-CD1 3.32Å; L81-F97 HydrophobicContact CB-CE1 4.01Å; L81-F97 HydrophobicContact CD1-CE1 3.88Å; L81-F97 HydrophobicContact CD1-CZ 4.03Å; L95-F97 HydrophobicContact CB-CD2 4.4Å; L95-F97 HydrophobicContact CB-CE2 3.44Å; L95-F97 VanDerWaalsContact CB-CE2 3.44Å; L95-F97 HydrophobicContact CB-CZ 3.59Å; L95-F97 HydrophobicContact CD1-CE2 4.34Å; L95-F97 HydrophobicContact CD1-CZ 3.92Å; L95-F97 HydrophobicContact CG-CZ 4.42Å
98D98Very high96.4Very high35 Ų3539.8 Ų39.819%0.18720%0.195CC..EExtended strand (participates in β ladder)trans-65.9140.6162.7-62.2-54000109.8Q82 M160Q82-D98 PolarHBondContact NE2-OD2 2.7Å; D98-M160 HydrophobicContact CB-CE 4.2Å
99Y98.3Very high96.5Very high19 Ų1939 Ų398%0.07519%0.19CC..  trans-78.7125.6-175.1-175.7-103.3000112.5V27 K37 D48 A50 E101 R356V27-Y99 HydrophobicContact CG2-CE2 4.3Å; K37-Y99 HydrophobicContact CB-CD2 4.26Å; K37-Y99 HydrophobicContact CB-CE2 3.79Å; K37-Y99 HydrophobicContact CD-CD1 4.48Å; K37-Y99 HydrophobicContact CD-CE1 3.94Å; K37-Y99 HydrophobicContact CD-CE2 4.11Å; K37-Y99 HydrophobicContact CG-CD2 4.03Å; K37-Y99 HydrophobicContact CG-CE1 4.36Å; K37-Y99 HydrophobicContact CG-CE2 3.81Å; K37-Y99 HydrophobicContact CG-CG 4.42Å; D48-Y99 VanDerWaalsContact C-CB 3.41Å; D48-Y99 HydrophobicContact CB-CD1 3.88Å; D48-Y99 HydrophobicContact CB-CG 3.97Å; D48-Y99 WeakPolarHBondContact O-CB 3.38Å; D48-Y99 PolarHBondContact O-N 2.9Å; D48-Y99 VanDerWaalsContact O-N 3.15Å; A50-Y99 HydrophobicContact CB-CD2 4.12Å; Y99-E101 HydrophobicContact CE1-CB 4.12Å; Y99-E101 HydrophobicContact CE1-CG 4.46Å; Y99-E101 WeakPolarHBondContact CE1-OE2 3.13Å; Y99-E101 PolarHBondContact OH-OE1 2.82Å; Y99-R356 WeakPolarHBondContact OH-CD 3.41Å
100A98.2Very high96.5Very high6 Ų637 Ų375%0.0516%0.162CC..  trans-100.6110.3170.800000110.7H102 L158 M160 R356A100-H102 PolarHBondContact O-N 3.38Å; A100-L158 HydrophobicContact CB-CB 3.64Å; A100-L158 HydrophobicContact CB-CD1 3.96Å; A100-L158 HydrophobicContact CB-CG 4.36Å; A100-M160 HydrophobicContact CB-SD 3.9Å; A100-R356 PolarHBondContact O-NE 3.04Å
101E97.9Very high96.4Very high17 Ų1733.6 Ų33.68%0.07914%0.144CC..  trans-64.2-28.4-177.2-167.167.9-104.600112.6K37 Y99 K355 R356K37-E101 IonicContact NZ-OE2 3.88Å; K37-E101 PolarHBondContact NZ-OE2 3.04Å; Y99-E101 HydrophobicContact CE1-CB 4.12Å; Y99-E101 HydrophobicContact CE1-CG 4.46Å; Y99-E101 WeakPolarHBondContact CE1-OE2 3.13Å; Y99-E101 PolarHBondContact OH-OE1 2.82Å; E101-K355 HydrophobicContact CG-CB 4.34Å; E101-K355 HydrophobicContact CG-CG 3.99Å; E101-K355 WeakPolarHBondContact OE1-CA 3.31Å; E101-K355 WeakPolarHBondContact OE1-CB 3.25Å; E101-R356 WeakPolarHBondContact O-CG 3.42Å; E101-R356 PolarHBondContact O-NE 3.46Å; E101-R356 PolarHBondContact OE1-N 3.2Å; E101-R356 VanDerWaalsContact OE1-N 3.1Å
102H98.1Very high96.2Very high12 Ų1230 Ų306%0.05613%0.13CC..EExtended strand (participates in β ladder)trans-123162.2-174.5-49.9-59.6000112.3A100 I107 L158 V159 R356A100-H102 PolarHBondContact O-N 3.38Å; H102-I107 HydrophobicContact CB-CD1 4.08Å; H102-I107 HydrophobicContact CB-CG1 4.44Å; H102-L158 WeakPolarHBondContact O-CA 3.5Å; H102-V159 HydrophobicContact CB-CB 4.19Å; H102-V159 PolarHBondContact N-O 2.95Å; H102-V159 VanDerWaalsContact N-O 3.12Å; H102-V159 PolarHBondContact O-N 2.89Å; H102-R356 PolarHBondContact O-NH2 3.02Å
103D97.8Very high95.9Very high6 Ų630.3 Ų30.33%0.03214%0.14CC..EExtended strand (participates in β ladder)trans-144164165.460.761.1000109.5W105 H106 I107 I157 L158 R356D103-W105 PolarHBondContact O-N 2.85Å; D103-W105 WeakPolarHBondContact OD1-CA 3.46Å; D103-W105 VanDerWaalsContact OD1-CB 3.25Å; D103-W105 WeakPolarHBondContact OD1-CB 3.44Å; D103-W105 PolarHBondContact OD1-N 2.83Å; D103-H106 VanDerWaalsContact CG-ND1 3.25Å; D103-H106 PolarHBondContact O-N 3.45Å; D103-H106 IonicContact OD1-CG 3.03Å; D103-H106 PolarHBondContact OD1-N 2.85Å; D103-H106 IonicContact OD1-ND1 3.59Å; D103-H106 PolarHBondContact OD1-ND1 2.85Å; D103-H106 IonicContact OD2-CE1 3.96Å; D103-H106 IonicContact OD2-CG 3.66Å; D103-H106 IonicContact OD2-ND1 3.81Å; D103-H106 PolarHBondContact OD2-ND1 3.49Å; D103-I107 WeakPolarHBondContact O-CG1 3.05Å; D103-I107 PolarHBondContact O-N 3.4Å; D103-I107 VanDerWaalsContact O-N 3.07Å; D103-I157 VanDerWaalsContact CA-O 3.3Å; D103-I157 WeakPolarHBondContact CA-O 2.98Å; D103-I157 WeakPolarHBondContact CB-O 3.26Å; D103-L158 HydrophobicContact CB-CD2 3.93Å; D103-R356 IonicContact OD2-CZ 3.8Å; D103-R356 IonicContact OD2-NH1 3.88Å; D103-R356 PolarHBondContact OD2-NH1 3.03Å; D103-R356 IonicContact OD2-NH2 3.48Å; D103-R356 PolarHBondContact OD2-NH2 3.22Å
104L98.2Very high95.2Very high0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-64.9-29.5-178.6-68.5-168.7000112.9I107 I108 L131 I135 P154 I157 V159 I223 L227L104-I107 HydrophobicContact CD2-CD1 4.27Å; L104-I107 PolarHBondContact O-N 2.91Å; L104-I108 HydrophobicContact CB-CD1 4.1Å; L104-I108 WeakPolarHBondContact O-CB 3.38Å; L104-I108 VanDerWaalsContact O-CD1 3.26Å; L104-I108 WeakPolarHBondContact O-CD1 2.9Å; L104-I108 WeakPolarHBondContact O-CG1 3.26Å; L104-I108 PolarHBondContact O-N 3.3Å; L104-L131 HydrophobicContact CD2-CD1 3.68Å; L104-L131 HydrophobicContact CD2-CD2 3.77Å; L104-L131 HydrophobicContact CD2-CG 4.32Å; L104-I135 HydrophobicContact CD1-CD1 3.95Å; L104-P154 HydrophobicContact CB-CB 3.81Å; L104-P154 WeakPolarHBondContact CB-O 3.38Å; L104-P154 PolarHBondContact N-O 3.36Å; L104-I157 HydrophobicContact CB-CB 4.35Å; L104-I157 HydrophobicContact CD1-CB 3.74Å; L104-I157 HydrophobicContact CD1-CG1 4.19Å; L104-I157 HydrophobicContact CD1-CG2 3.56Å; L104-I157 HydrophobicContact CG-CB 3.81Å; L104-I157 HydrophobicContact CG-CG2 3.71Å; L104-I157 PolarHBondContact N-O 3.43Å; L104-V159 HydrophobicContact CD2-CG2 4.19Å; L104-I223 HydrophobicContact CD1-CG2 3.77Å; L104-L227 HydrophobicContact CD1-CD1 4.27Å; L104-L227 HydrophobicContact CD1-CD2 4.23Å; L104-L227 HydrophobicContact CD2-CD2 4.11Å
105W95.6Very high94.1Very high113 Ų11335.4 Ų35.443%0.42817%0.165SC..Hα-helixtrans-61.9-47.8178-176.990.8000111.3D103 K109 P154 A155D103-W105 PolarHBondContact O-N 2.85Å; D103-W105 WeakPolarHBondContact OD1-CA 3.46Å; D103-W105 VanDerWaalsContact OD1-CB 3.25Å; D103-W105 WeakPolarHBondContact OD1-CB 3.44Å; D103-W105 PolarHBondContact OD1-N 2.83Å; W105-K109 HydrophobicContact CE3-CD 4.39Å; W105-K109 HydrophobicContact CH2-CD 3.71Å; W105-K109 HydrophobicContact CZ2-CD 4.21Å; W105-K109 HydrophobicContact CZ3-CD 3.79Å; W105-K109 WeakPolarHBondContact O-CB 2.88Å; W105-K109 PolarHBondContact O-N 3.37Å; W105-P154 HydrophobicContact CB-CB 4.06Å; W105-P154 PolarHBondContact N-O 3.25Å; W105-A155 HydrophobicContact CB-CB 4.21Å
106H95.8Very high93.1Very high84 Ų8439.1 Ų39.139%0.38920%0.196SC..Hα-helixtrans-68-41.7177.5-7291.8000112.2D103 K109 F110D103-H106 VanDerWaalsContact CG-ND1 3.25Å; D103-H106 PolarHBondContact O-N 3.45Å; D103-H106 IonicContact OD1-CG 3.03Å; D103-H106 PolarHBondContact OD1-N 2.85Å; D103-H106 IonicContact OD1-ND1 3.59Å; D103-H106 PolarHBondContact OD1-ND1 2.85Å; D103-H106 IonicContact OD2-CE1 3.96Å; D103-H106 IonicContact OD2-CG 3.66Å; D103-H106 IonicContact OD2-ND1 3.81Å; D103-H106 PolarHBondContact OD2-ND1 3.49Å; H106-K109 PolarHBondContact O-N 3.46Å; H106-F110 WeakPolarHBondContact O-CB 2.88Å; H106-F110 PolarHBondContact O-N 3.2Å
107I96.9Very high92.1Very high0 Ų044.7 Ų44.70%023%0.226CC..Hα-helixtrans-60.8-50.5176.9-70.7167.8000110.4H102 D103 L104 K109 F110 H111 L123 M127 V159 Y353H102-I107 HydrophobicContact CB-CD1 4.08Å; H102-I107 HydrophobicContact CB-CG1 4.44Å; D103-I107 WeakPolarHBondContact O-CG1 3.05Å; D103-I107 PolarHBondContact O-N 3.4Å; D103-I107 VanDerWaalsContact O-N 3.07Å; L104-I107 HydrophobicContact CD2-CD1 4.27Å; L104-I107 PolarHBondContact O-N 2.91Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 3.11Å; I107-F110 WeakPolarHBondContact O-CB 3.27Å; I107-F110 PolarHBondContact O-N 2.85Å; I107-H111 PolarHBondContact O-CD2 2.89Å; I107-H111 VanDerWaalsContact O-CD2 3.23Å; I107-H111 PolarHBondContact O-N 3.11Å; I107-L123 HydrophobicContact CG2-CD2 4.13Å; I107-M127 HydrophobicContact CD1-CE 4.09Å; I107-M127 HydrophobicContact CG2-CE 3.91Å; I107-V159 HydrophobicContact CD1-CB 4.38Å; I107-V159 HydrophobicContact CD1-CG2 4.08Å; I107-Y353 HydrophobicContact CB-CE1 4.35Å; I107-Y353 HydrophobicContact CD1-CD2 4.4Å; I107-Y353 HydrophobicContact CD1-CE2 4.4Å; I107-Y353 HydrophobicContact CG1-CD1 4.14Å; I107-Y353 HydrophobicContact CG1-CD2 3.98Å; I107-Y353 HydrophobicContact CG1-CE1 4.25Å; I107-Y353 HydrophobicContact CG1-CE2 4.14Å; I107-Y353 HydrophobicContact CG1-CG 4Å; I107-Y353 HydrophobicContact CG2-CE1 3.85Å; I107-Y353 HydrophobicContact CG2-CE2 4.4Å
108I95.8Very high90.8Very high2 Ų253 Ų531%0.0126%0.262CS..Hα-helixtrans-62.9-42.3179.2-68.8161.4000110.5L104 F110 H111 R112 P154 E226 L227L104-I108 HydrophobicContact CB-CD1 4.1Å; L104-I108 WeakPolarHBondContact O-CB 3.38Å; L104-I108 VanDerWaalsContact O-CD1 3.26Å; L104-I108 WeakPolarHBondContact O-CD1 2.9Å; L104-I108 WeakPolarHBondContact O-CG1 3.26Å; L104-I108 PolarHBondContact O-N 3.3Å; I108-F110 VanDerWaalsContact C-N 3.34Å; I108-F110 PolarHBondContact O-N 3.17Å; I108-H111 PolarHBondContact O-N 3.45Å; I108-R112 WeakPolarHBondContact O-CB 3.49Å; I108-R112 PolarHBondContact O-N 3.03Å; I108-P154 HydrophobicContact CD1-CB 4.08Å; I108-P154 HydrophobicContact CD1-CG 4.12Å; I108-E226 HydrophobicContact CD1-CG 3.95Å; I108-E226 HydrophobicContact CG2-CG 3.82Å; I108-L227 HydrophobicContact CD1-CD2 4Å; I108-L227 HydrophobicContact CD1-CG 4.48Å; I108-L227 HydrophobicContact CG1-CD2 4Å
109K93.7Very high89.5Confident108 Ų10859.3 Ų59.347%0.4729%0.288SS..Hα-helixtrans-60.2-41.9177-177.2-178177.2-171.20112W105 H106 I107 R112 A113W105-K109 HydrophobicContact CE3-CD 4.39Å; W105-K109 HydrophobicContact CH2-CD 3.71Å; W105-K109 HydrophobicContact CZ2-CD 4.21Å; W105-K109 HydrophobicContact CZ3-CD 3.79Å; W105-K109 WeakPolarHBondContact O-CB 2.88Å; W105-K109 PolarHBondContact O-N 3.37Å; H106-K109 PolarHBondContact O-N 3.46Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 3.11Å; K109-R112 PolarHBondContact O-N 2.92Å; K109-A113 WeakPolarHBondContact O-CB 3.45Å; K109-A113 PolarHBondContact O-N 3.08Å
110F93.6Very high88Confident61 Ų6163.3 Ų63.327%0.26832%0.316SS..Hα-helixtrans-57-51.5176.1176.5-93.6000111.2H106 I107 I108 R112 A113 S114 L121 P352 Y353H106-F110 WeakPolarHBondContact O-CB 2.88Å; H106-F110 PolarHBondContact O-N 3.2Å; I107-F110 WeakPolarHBondContact O-CB 3.27Å; I107-F110 PolarHBondContact O-N 2.85Å; I108-F110 VanDerWaalsContact C-N 3.34Å; I108-F110 PolarHBondContact O-N 3.17Å; F110-R112 PolarHBondContact O-N 3.45Å; F110-A113 PolarHBondContact O-N 2.75Å; F110-S114 PolarHBondContact O-N 2.98Å; F110-S114 VanDerWaalsContact O-N 3.13Å; F110-S114 PolarHBondContact O-OG 3.09Å; F110-S114 VanDerWaalsContact O-OG 3.1Å; F110-L121 HydrophobicContact CE1-CD2 4.06Å; F110-P352 HydrophobicContact CE1-CB 4.47Å; F110-P352 HydrophobicContact CE1-CG 4.48Å; F110-P352 HydrophobicContact CZ-CB 4.35Å; F110-Y353 HydrophobicContact CB-CD1 4.19Å; F110-Y353 AromaticContact CD1-CD1 3.77Å; F110-Y353 HydrophobicContact CD1-CD1 3.77Å; F110-Y353 AromaticContact CD1-CE1 3.74Å; F110-Y353 HydrophobicContact CD1-CE1 3.74Å; F110-Y353 HydrophobicContact CE1-CD1 4.29Å; F110-Y353 HydrophobicContact CE1-CE1 4.24Å; F110-Y353 AromaticContact CG-CD1 3.97Å; F110-Y353 HydrophobicContact CG-CD1 3.97Å; F110-Y353 HydrophobicContact CG-CE1 4.34Å
111H91.9Very high87Confident3 Ų367.2 Ų67.21%0.01434%0.335CS..Hα-helixtrans-66.4-37.5178.8-74.3-80.3000113.3I107 I108 A113 S114 K115 L121 L123 Y353I107-H111 PolarHBondContact O-CD2 2.89Å; I107-H111 VanDerWaalsContact O-CD2 3.23Å; I107-H111 PolarHBondContact O-N 3.11Å; I108-H111 PolarHBondContact O-N 3.45Å; H111-A113 PolarHBondContact O-N 3.17Å; H111-S114 PolarHBondContact O-N 3.22Å; H111-K115 PolarHBondContact O-N 2.95Å; H111-L121 PolarHBondContact ND1-O 3.45Å; H111-L123 HydrophobicContact CB-CD1 3.56Å; H111-L123 WeakPolarHBondContact CD2-CD1 3.4Å; H111-Y353 AromaticContact CD2-CE1 3.82Å; H111-Y353 AromaticContact NE2-CE1 3.4Å; H111-Y353 WeakPolarHBondContact NE2-CE1 3.49Å; H111-Y353 AromaticContact NE2-CZ 3.62Å; H111-Y353 PolarHBondContact NE2-OH 3.3Å
112R90.5Very high86.2Confident86 Ų8671.6 Ų71.633%0.32536%0.356SS..Hα-helixtrans-60.8-43.2174-173.7-178-62.3164.912.8111.6I108 K109 F110 K115 A116 E226 S230 P232I108-R112 WeakPolarHBondContact O-CB 3.49Å; I108-R112 PolarHBondContact O-N 3.03Å; K109-R112 PolarHBondContact O-N 2.92Å; F110-R112 PolarHBondContact O-N 3.45Å; R112-K115 WeakPolarHBondContact O-CB 3.42Å; R112-K115 PolarHBondContact O-N 3Å; R112-A116 PolarHBondContact O-N 3.06Å; R112-E226 IonicContact CZ-OE1 3.85Å; R112-E226 IonicContact NH2-OE1 3.27Å; R112-E226 PolarHBondContact NH2-OE1 2.95Å; R112-S230 PolarHBondContact NE-O 2.95Å; R112-S230 PolarHBondContact NH2-O 2.67Å; R112-P232 VanDerWaalsContact NH2-CD 3.29Å
113A88.1Confident85.8Confident47 Ų4771.5 Ų71.539%0.38836%0.356SS..Hα-helixtrans-65.9-38.8178.200000112.3K109 F110 H111 K115 A116 N117K109-A113 WeakPolarHBondContact O-CB 3.45Å; K109-A113 PolarHBondContact O-N 3.08Å; F110-A113 PolarHBondContact O-N 2.75Å; H111-A113 PolarHBondContact O-N 3.17Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.31Å; A113-A116 PolarHBondContact O-N 3.34Å; A113-N117 PolarHBondContact O-N 2.83Å; A113-N117 PolarHBondContact O-ND2 2.76Å
114S80.3Confident85.6Confident24 Ų2474.7 Ų74.717%0.16838%0.377CS..Hα-helixtrans-61.8-39.6175.5-51.20000112.4F110 H111 N117 K119F110-S114 PolarHBondContact O-N 2.98Å; F110-S114 VanDerWaalsContact O-N 3.13Å; F110-S114 PolarHBondContact O-OG 3.09Å; F110-S114 VanDerWaalsContact O-OG 3.1Å; H111-S114 PolarHBondContact O-N 3.22Å; S114-N117 PolarHBondContact O-N 2.85Å; S114-K119 CarbonylContact C-O 3.52Å; S114-K119 VanDerWaalsContact C-O 3.32Å; S114-K119 WeakPolarHBondContact CB-O 3.43Å; S114-K119 CarbonylContact O-C 3.27Å; S114-K119 VanDerWaalsContact O-C 3.27Å; S114-K119 PolarHBondContact O-N 2.74Å; S114-K119 VanDerWaalsContact O-N 3.12Å
115K74.6Confident85.4Confident97 Ų9783.6 Ų83.642%0.42241%0.41SS..Hα-helixtrans-61.1-43.3174.1-172.7-176.3176.8-172.80111.8H111 R112 A113 N117 K118 E231H111-K115 PolarHBondContact O-N 2.95Å; R112-K115 WeakPolarHBondContact O-CB 3.42Å; R112-K115 PolarHBondContact O-N 3Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.31Å; K115-N117 VanDerWaalsContact C-N 3.31Å; K115-N117 PolarHBondContact O-N 3.28Å; K115-K118 PolarHBondContact O-N 3.15Å; K115-E231 IonicContact NZ-OE1 2.72Å; K115-E231 PolarHBondContact NZ-OE1 2.86Å
116A76.4Confident85.5Confident78 Ų7879.1 Ų79.165%0.64540%0.399SS*.Hα-helixtrans-64.2-35.9176.800000112.4R112 A113 K118R112-A116 PolarHBondContact O-N 3.06Å; A113-A116 PolarHBondContact O-N 3.34Å; A116-K118 PolarHBondContact O-N 2.86Å; A116-K118 VanDerWaalsContact O-N 3.14Å
117N76.8Confident85.6Confident124 Ų12475.6 Ų75.666%0.66338%0.383SS*.THydrogen-bonded Turntrans-81.120179-68.2-21.3000114.2A113 S114 K115 K119A113-N117 PolarHBondContact O-N 2.83Å; A113-N117 PolarHBondContact O-ND2 2.76Å; S114-N117 PolarHBondContact O-N 2.85Å; K115-N117 VanDerWaalsContact C-N 3.31Å; K115-N117 PolarHBondContact O-N 3.28Å; N117-K119 PolarHBondContact O-N 3.26Å
118K70.4Confident85.7Confident192 Ų19275.7 Ų75.784%0.83538%0.384SS*.THydrogen-bonded Turntrans55.620-179.4-57.8-178.3-179.4177.70114.9K115 A116 P120K115-K118 PolarHBondContact O-N 3.15Å; A116-K118 PolarHBondContact O-N 2.86Å; A116-K118 VanDerWaalsContact O-N 3.14Å; K118-P120 WeakPolarHBondContact O-CD 3.08Å
119K70.3Confident85.8Confident167 Ų16775.8 Ų75.873%0.72638%0.384SS*.  trans-117.474170.5-69.8-174-179.8-178.20108.7S114 N117 L121S114-K119 CarbonylContact C-O 3.52Å; S114-K119 VanDerWaalsContact C-O 3.32Å; S114-K119 WeakPolarHBondContact CB-O 3.43Å; S114-K119 CarbonylContact O-C 3.27Å; S114-K119 VanDerWaalsContact O-C 3.27Å; S114-K119 PolarHBondContact O-N 2.74Å; S114-K119 VanDerWaalsContact O-N 3.12Å; N117-K119 PolarHBondContact O-N 3.26Å; K119-L121 PolarHBondContact O-N 2.89Å
120P66.9Low86.1Confident102 Ų10270.7 Ų70.766%0.66236%0.362SS*.  trans-64.9107.3-171.426.9-33.7000110.5K118K118-P120 WeakPolarHBondContact O-CD 3.08Å
121L77.8Confident86.3Confident88 Ų8867.8 Ų67.846%0.46135%0.349SS..  trans-10999.2170.3-172.470000107.3F110 H111 K119F110-L121 HydrophobicContact CE1-CD2 4.06Å; H111-L121 PolarHBondContact ND1-O 3.45Å; K119-L121 PolarHBondContact O-N 2.89Å
122Q79.8Confident86.7Confident109 Ų10967.7 Ų67.751%0.50935%0.349SS..PPolyproline II helixtrans-72.1155.4169.9-70.2-172.9-18.200109.9
123L89.8Confident87.1Confident10 Ų1067.3 Ų67.35%0.05235%0.348CS..PPolyproline II helixtrans-60.4135.5170.5-81.679000108.9I107 H111 R125 V128 L227I107-L123 HydrophobicContact CG2-CD2 4.13Å; H111-L123 HydrophobicContact CB-CD1 3.56Å; H111-L123 WeakPolarHBondContact CD2-CD1 3.4Å; L123-R125 PolarHBondContact O-N 2.69Å; L123-V128 HydrophobicContact CB-CG2 3.57Å; L123-V128 HydrophobicContact CD2-CG2 4.1Å; L123-V128 HydrophobicContact CG-CG2 4.49Å; L123-L227 HydrophobicContact CD2-CD2 3.53Å
124P94.1Very high87.6Confident73 Ų7365.7 Ų65.747%0.47433%0.332SS..PPolyproline II helixtrans-54.6131.6173.2-25.534.5000110.8G126 M127 V128P124-G126 VanDerWaalsContact C-N 3.27Å; P124-G126 PolarHBondContact O-N 2.82Å; P124-M127 HydrophobicContact CB-CB 4.09Å; P124-M127 WeakPolarHBondContact O-CB 3.33Å; P124-M127 PolarHBondContact O-N 2.98Å; P124-V128 PolarHBondContact O-N 2.83Å
125R94.5Very high88.5Confident187 Ų18764.5 Ų64.571%0.70632%0.324SS*.Hα-helixtrans-60.1-36.5-175.5-67.6-176.8-178.9176.90.7113.1L123 V128 K129L123-R125 PolarHBondContact O-N 2.69Å; R125-V128 PolarHBondContact O-N 3.18Å; R125-K129 PolarHBondContact O-N 3.21Å
126G97.5Very high89.6Confident19 Ų1959.9 Ų59.920%0.19630%0.304CS..Hα-helixtrans-61.9-44.5173.600000112P124 V128 K129 S130P124-G126 VanDerWaalsContact C-N 3.27Å; P124-G126 PolarHBondContact O-N 2.82Å; G126-V128 PolarHBondContact O-N 3Å; G126-K129 WeakPolarHBondContact O-CB 3.42Å; G126-K129 PolarHBondContact O-N 2.89Å; G126-S130 PolarHBondContact O-N 3.23Å; G126-S130 PolarHBondContact O-OG 3.09Å
127M98.3Very high90.7Very high10 Ų1058.2 Ų58.25%0.04928%0.284CS..Hα-helixtrans-60.7-46175.3179179.9176.100111.9I107 P124 K129 S130 L131 V345 F346 Y353I107-M127 HydrophobicContact CD1-CE 4.09Å; I107-M127 HydrophobicContact CG2-CE 3.91Å; P124-M127 HydrophobicContact CB-CB 4.09Å; P124-M127 WeakPolarHBondContact O-CB 3.33Å; P124-M127 PolarHBondContact O-N 2.98Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 2.98Å; M127-S130 PolarHBondContact O-N 3.13Å; M127-L131 HydrophobicContact CE-CD1 3.95Å; M127-L131 HydrophobicContact CG-CD1 3.94Å; M127-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 WeakPolarHBondContact O-CB 3.19Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.49Å; M127-L131 PolarHBondContact O-N 3.02Å; M127-V345 WeakPolarHBondContact CA-O 3.46Å; M127-V345 VanDerWaalsContact CB-O 3.28Å; M127-V345 WeakPolarHBondContact CB-O 3.44Å; M127-V345 HydrophobicContact CE-CG2 4.36Å; M127-V345 HydrophobicContact CG-CB 4.23Å; M127-V345 HydrophobicContact CG-CG2 4.34Å; M127-V345 VanDerWaalsContact CG-O 3.31Å; M127-V345 WeakPolarHBondContact CG-O 3.34Å; M127-F346 HydrophobicContact CE-CD1 3.94Å; M127-F346 HydrophobicContact CE-CE1 3.6Å; M127-F346 HydrophobicContact SD-CD1 4.18Å; M127-F346 HydrophobicContact SD-CE1 4.43Å; M127-Y353 HydrophobicContact CE-CE2 3.88Å; M127-Y353 WeakPolarHBondContact CE-OH 3.45Å; M127-Y353 HydrophobicContact SD-CE2 4.48Å; M127-Y353 PolarHBondContact SD-OH 2.93Å; M127-Y353 VanDerWaalsContact SD-OH 3.34Å
128V98.6Very high91.7Very high3 Ų352.3 Ų52.32%0.01825%0.253CS..Hα-helixtrans-57.6-43.9176.5174.20000111.2L123 P124 R125 G126 L132 F224 L227 L228L123-V128 HydrophobicContact CB-CG2 3.57Å; L123-V128 HydrophobicContact CD2-CG2 4.1Å; L123-V128 HydrophobicContact CG-CG2 4.49Å; P124-V128 PolarHBondContact O-N 2.83Å; R125-V128 PolarHBondContact O-N 3.18Å; G126-V128 PolarHBondContact O-N 3Å; V128-L132 WeakPolarHBondContact O-CB 3.26Å; V128-L132 PolarHBondContact O-N 3.22Å; V128-F224 HydrophobicContact CG1-CD2 4.02Å; V128-F224 HydrophobicContact CG1-CE2 3.78Å; V128-L227 HydrophobicContact CG1-CB 3.85Å; V128-L227 HydrophobicContact CG1-CD1 4.5Å; V128-L227 HydrophobicContact CG2-CB 4.21Å; V128-L228 HydrophobicContact CG1-CD2 4.07Å; V128-L228 HydrophobicContact CG1-CG 4.39Å
129K98.8Very high93.1Very high4 Ų443.1 Ų43.12%0.01721%0.213CC..Hα-helixtrans-64.5-48.8178.6-172.3-178.6-63.1-171.60111.8R125 G126 M127 L131 L132 Y133 Y334 F335 E337 P339 P341R125-K129 PolarHBondContact O-N 3.21Å; G126-K129 WeakPolarHBondContact O-CB 3.42Å; G126-K129 PolarHBondContact O-N 2.89Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 2.98Å; K129-L131 VanDerWaalsContact C-N 3.33Å; K129-L131 PolarHBondContact O-N 2.86Å; K129-L132 PolarHBondContact O-N 3.47Å; K129-Y133 WeakPolarHBondContact O-CB 3.49Å; K129-Y133 PolarHBondContact O-N 3.48Å; K129-Y334 HydrophobicContact CB-CE1 4.06Å; K129-Y334 WeakPolarHBondContact CB-OH 3.45Å; K129-Y334 HydrophobicContact CD-CE1 4.33Å; K129-Y334 VanDerWaalsContact CE-CE2 3.47Å; K129-Y334 VanDerWaalsContact CE-O 3.23Å; K129-Y334 WeakPolarHBondContact CE-O 3.41Å; K129-Y334 HydrophobicContact CG-CD1 4.23Å; K129-Y334 HydrophobicContact CG-CE1 3.62Å; K129-Y334 PolarHBondContact NZ-O 2.77Å; K129-F335 HydrophobicContact CD-CD1 4.18Å; K129-F335 HydrophobicContact CG-CD1 3.65Å; K129-F335 HydrophobicContact CG-CE1 3.84Å; K129-E337 PolarHBondContact NZ-O 3.44Å; K129-P339 WeakPolarHBondContact CD-O 3.38Å; K129-P339 VanDerWaalsContact CE-O 3.32Å; K129-P339 WeakPolarHBondContact CE-O 3.5Å; K129-P339 PolarHBondContact NZ-O 3.13Å; K129-P341 HydrophobicContact CD-CG 4.1Å; K129-P341 HydrophobicContact CG-CG 4.1Å
130S98.8Very high94.4Very high1 Ų138.1 Ų38.11%0.00719%0.192CC..Hα-helixtrans-61.4-41.1178.2-56.40000112G126 M127 Y133 Q134 T342G126-S130 PolarHBondContact O-N 3.23Å; G126-S130 PolarHBondContact O-OG 3.09Å; M127-S130 PolarHBondContact O-N 3.13Å; S130-Y133 PolarHBondContact O-N 3.18Å; S130-Q134 WeakPolarHBondContact O-CB 3.38Å; S130-Q134 WeakPolarHBondContact O-CG 3.38Å; S130-Q134 PolarHBondContact O-N 3.41Å; S130-T342 WeakPolarHBondContact CB-O 3.26Å; S130-T342 PolarHBondContact OG-N 3.13Å; S130-T342 PolarHBondContact OG-OG1 3.37Å
131L98.9Very high95.9Very high0 Ų035.4 Ų35.40%017%0.169CC..Hα-helixtrans-59.8-52.5174-76.5170.6000111.1L104 M127 K129 Y133 Q134 I135 V159 V169 L227 V345L104-L131 HydrophobicContact CD2-CD1 3.68Å; L104-L131 HydrophobicContact CD2-CD2 3.77Å; L104-L131 HydrophobicContact CD2-CG 4.32Å; M127-L131 HydrophobicContact CE-CD1 3.95Å; M127-L131 HydrophobicContact CG-CD1 3.94Å; M127-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 WeakPolarHBondContact O-CB 3.19Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.49Å; M127-L131 PolarHBondContact O-N 3.02Å; K129-L131 VanDerWaalsContact C-N 3.33Å; K129-L131 PolarHBondContact O-N 2.86Å; L131-Y133 VanDerWaalsContact C-N 3.32Å; L131-Y133 PolarHBondContact O-N 3.41Å; L131-Q134 PolarHBondContact O-N 3.3Å; L131-I135 WeakPolarHBondContact O-CD1 3.45Å; L131-I135 WeakPolarHBondContact O-CG1 3.48Å; L131-I135 PolarHBondContact O-N 2.82Å; L131-V159 HydrophobicContact CD2-CG2 3.89Å; L131-V169 HydrophobicContact CD2-CG2 3.62Å; L131-L227 HydrophobicContact CB-CD1 4.2Å; L131-L227 HydrophobicContact CD1-CD1 4.31Å; L131-L227 HydrophobicContact CD1-CD2 3.9Å; L131-V345 HydrophobicContact CD2-CB 4.18Å; L131-V345 HydrophobicContact CD2-CG1 3.88Å; L131-V345 HydrophobicContact CD2-CG2 3.93Å; L131-V345 HydrophobicContact CG-CB 4.15Å; L131-V345 HydrophobicContact CG-CG1 4.03Å; L131-V345 HydrophobicContact CG-CG2 4.28Å
132L98.9Very high96.9Very high1 Ų131.2 Ų31.21%0.00515%0.147CC..Hα-helixtrans-59.1-45179.8-179.563.8000111.5V128 K129 I135 L136 I220 F224 L311 Y334 F335V128-L132 WeakPolarHBondContact O-CB 3.26Å; V128-L132 PolarHBondContact O-N 3.22Å; K129-L132 PolarHBondContact O-N 3.47Å; L132-I135 PolarHBondContact O-N 3.44Å; L132-L136 HydrophobicContact CD1-CD1 4.21Å; L132-L136 HydrophobicContact CD1-CG 4.25Å; L132-L136 HydrophobicContact CD2-CD1 4.49Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.39Å; L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.45Å; L132-I220 HydrophobicContact CD1-CG2 3.62Å; L132-F224 HydrophobicContact CB-CD2 4.47Å; L132-F224 HydrophobicContact CD1-CB 4Å; L132-F224 HydrophobicContact CD1-CD2 4.48Å; L132-F224 HydrophobicContact CD1-CG 4.13Å; L132-F224 HydrophobicContact CD2-CD1 3.69Å; L132-F224 HydrophobicContact CD2-CD2 3.76Å; L132-F224 HydrophobicContact CD2-CE1 3.67Å; L132-F224 HydrophobicContact CD2-CE2 3.76Å; L132-F224 HydrophobicContact CD2-CG 3.73Å; L132-F224 HydrophobicContact CD2-CZ 3.71Å; L132-F224 HydrophobicContact CG-CD2 4.46Å; L132-F224 HydrophobicContact CG-CG 4.46Å; L132-L311 HydrophobicContact CD2-CD2 3.77Å; L132-Y334 HydrophobicContact CD2-CD1 4.5Å; L132-Y334 HydrophobicContact CD2-CE1 4.15Å; L132-F335 HydrophobicContact CB-CE1 4.47Å; L132-F335 HydrophobicContact CB-CZ 4.4Å; L132-F335 HydrophobicContact CD2-CE1 4.33Å; L132-F335 HydrophobicContact CD2-CZ 3.78Å; L132-F335 HydrophobicContact CG-CE1 4.45Å; L132-F335 HydrophobicContact CG-CZ 3.91Å
133Y98.9Very high97.6Very high78 Ų7826.2 Ų26.231%0.30612%0.124SC..Hα-helixtrans-59.8-48.8-179.9-169.7-93.4000111.6K129 S130 L131 I135 L136 D137 M330 F335 P341K129-Y133 WeakPolarHBondContact O-CB 3.49Å; K129-Y133 PolarHBondContact O-N 3.48Å; S130-Y133 PolarHBondContact O-N 3.18Å; L131-Y133 VanDerWaalsContact C-N 3.32Å; L131-Y133 PolarHBondContact O-N 3.41Å; Y133-I135 VanDerWaalsContact C-N 3.35Å; Y133-I135 PolarHBondContact O-N 3.21Å; Y133-L136 WeakPolarHBondContact O-CB 3.1Å; Y133-L136 PolarHBondContact O-N 3.41Å; Y133-D137 WeakPolarHBondContact O-CB 3.31Å; Y133-D137 PolarHBondContact O-N 2.96Å; Y133-M330 HydrophobicContact CE1-CE 4.34Å; Y133-M330 HydrophobicContact CE2-CB 4.24Å; Y133-M330 HydrophobicContact CE2-CE 4.43Å; Y133-M330 HydrophobicContact CE2-CG 4.46Å; Y133-F335 HydrophobicContact CD2-CB 4.19Å; Y133-F335 AromaticContact CD2-CD1 3.64Å; Y133-F335 HydrophobicContact CD2-CD1 3.64Å; Y133-F335 AromaticContact CD2-CD2 3.9Å; Y133-F335 HydrophobicContact CD2-CD2 3.9Å; Y133-F335 AromaticContact CD2-CE1 3.89Å; Y133-F335 HydrophobicContact CD2-CE1 3.89Å; Y133-F335 HydrophobicContact CD2-CE2 4.13Å; Y133-F335 AromaticContact CD2-CG 3.63Å; Y133-F335 HydrophobicContact CD2-CG 3.63Å; Y133-F335 HydrophobicContact CD2-CZ 4.12Å; Y133-F335 HydrophobicContact CE2-CB 4.4Å; Y133-F335 HydrophobicContact CE2-CD2 4.37Å; Y133-F335 HydrophobicContact CE2-CG 4.22Å; Y133-F335 HydrophobicContact CG-CD1 4.28Å; Y133-F335 HydrophobicContact CG-CE1 4.3Å; Y133-P341 HydrophobicContact CD1-CB 4.38Å; Y133-P341 HydrophobicContact CD2-CG 4.18Å; Y133-P341 HydrophobicContact CG-CB 4.09Å; Y133-P341 HydrophobicContact CG-CG 4.13Å
134Q98.9Very high97.9Very high12 Ų1228.4 Ų28.46%0.05614%0.143CC..Hα-helixtrans-68.9-30.4180-69.9-172.442.600113.2N77 S130 L131 G138 V169 T342 S343N77-Q134 WeakPolarHBondContact CB-O 3.25Å; N77-Q134 PolarHBondContact ND2-OE1 2.76Å; S130-Q134 WeakPolarHBondContact O-CB 3.38Å; S130-Q134 WeakPolarHBondContact O-CG 3.38Å; S130-Q134 PolarHBondContact O-N 3.41Å; L131-Q134 PolarHBondContact O-N 3.3Å; Q134-G138 PolarHBondContact O-N 2.87Å; Q134-V169 HydrophobicContact CB-CB 3.8Å; Q134-V169 HydrophobicContact CB-CG2 3.77Å; Q134-T342 PolarHBondContact NE2-O 3.15Å; Q134-S343 PolarHBondContact NE2-O 3.14Å
135I98.9Very high98Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-65.7-45.5170.5-66.4162.2000110.1L104 L131 L132 Y133 G138 I139 I157 V169 I220 I223L104-I135 HydrophobicContact CD1-CD1 3.95Å; L131-I135 WeakPolarHBondContact O-CD1 3.45Å; L131-I135 WeakPolarHBondContact O-CG1 3.48Å; L131-I135 PolarHBondContact O-N 2.82Å; L132-I135 PolarHBondContact O-N 3.44Å; Y133-I135 VanDerWaalsContact C-N 3.35Å; Y133-I135 PolarHBondContact O-N 3.21Å; I135-G138 PolarHBondContact O-N 2.91Å; I135-I139 WeakPolarHBondContact O-CG2 3.3Å; I135-I139 PolarHBondContact O-N 2.95Å; I135-I157 HydrophobicContact CD1-CG1 4.47Å; I135-I157 HydrophobicContact CD1-CG2 3.91Å; I135-I157 HydrophobicContact CG1-CD1 4.37Å; I135-I157 HydrophobicContact CG1-CG2 3.81Å; I135-I157 HydrophobicContact CG2-CD1 4.44Å; I135-V169 HydrophobicContact CG1-CG1 4.06Å; I135-I220 HydrophobicContact CG2-CD1 3.97Å; I135-I220 HydrophobicContact CG2-CG1 3.82Å; I135-I220 HydrophobicContact CG2-CG2 4.3Å; I135-I223 HydrophobicContact CD1-CG2 4.25Å
136L98.9Very high97.8Very high0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-61.6-43.4177.5-73.5169.6000111.7L132 Y133 I139 H140 I220 A329 M330 F335L132-L136 HydrophobicContact CD1-CD1 4.21Å; L132-L136 HydrophobicContact CD1-CG 4.25Å; L132-L136 HydrophobicContact CD2-CD1 4.49Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.39Å; L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.45Å; Y133-L136 WeakPolarHBondContact O-CB 3.1Å; Y133-L136 PolarHBondContact O-N 3.41Å; L136-I139 VanDerWaalsContact O-CG2 3.26Å; L136-I139 WeakPolarHBondContact O-CG2 3.49Å; L136-I139 PolarHBondContact O-N 2.69Å; L136-H140 WeakPolarHBondContact O-CB 3.39Å; L136-H140 PolarHBondContact O-N 2.67Å; L136-I220 HydrophobicContact CD2-CD1 4.34Å; L136-I220 HydrophobicContact CD2-CG2 4.06Å; L136-I220 HydrophobicContact CG-CG2 4.5Å; L136-A329 HydrophobicContact CD1-CB 3.79Å; L136-A329 HydrophobicContact CD2-CB 3.85Å; L136-A329 HydrophobicContact CG-CB 4.47Å; L136-M330 HydrophobicContact CB-CG 3.62Å; L136-M330 HydrophobicContact CB-SD 4.29Å; L136-M330 HydrophobicContact CD1-CG 4.4Å; L136-F335 HydrophobicContact CD1-CE2 3.76Å; L136-F335 HydrophobicContact CD1-CZ 3.7Å
137D98.9Very high97.5Very high42 Ų4225.4 Ų25.423%0.22512%0.122CC..Hα-helixtrans-62.3-48.1177.6-167.322.5000111.7H75 N77 Y133 I139 H140 Y141 M330H75-D137 IonicContact CE1-OD1 3.74Å; H75-D137 IonicContact CE1-OD2 2.7Å; H75-D137 PolarHBondContact CE1-OD2 3.46Å; H75-D137 IonicContact NE2-OD1 3.08Å; H75-D137 IonicContact NE2-OD2 3.68Å; N77-D137 PolarHBondContact OD1-OD2 3.03Å; Y133-D137 WeakPolarHBondContact O-CB 3.31Å; Y133-D137 PolarHBondContact O-N 2.96Å; D137-I139 PolarHBondContact O-N 3.25Å; D137-H140 PolarHBondContact O-N 3.41Å; D137-Y141 PolarHBondContact O-N 3.21Å; D137-M330 HydrophobicContact CB-CE 3.75Å; D137-M330 HydrophobicContact CB-SD 4.32Å; D137-M330 WeakPolarHBondContact OD1-CE 3.07Å
138G98.8Very high97.2Very high0 Ų025.1 Ų25.10%012%0.121CC..Hα-helixtrans-59.9-45.6174.900000113.3Q134 I135 H140 Y141 L142Q134-G138 PolarHBondContact O-N 2.87Å; I135-G138 PolarHBondContact O-N 2.91Å; G138-H140 VanDerWaalsContact C-N 3.35Å; G138-Y141 PolarHBondContact O-N 3.45Å; G138-L142 WeakPolarHBondContact O-CG 3.48Å; G138-L142 PolarHBondContact O-N 3.21Å
139I98.5Very high96.9Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-72-31.5179.5-16060.4000111.9I135 L136 D137 L142 H143 H149 L152 I171 D216 I220I135-I139 WeakPolarHBondContact O-CG2 3.3Å; I135-I139 PolarHBondContact O-N 2.95Å; L136-I139 VanDerWaalsContact O-CG2 3.26Å; L136-I139 WeakPolarHBondContact O-CG2 3.49Å; L136-I139 PolarHBondContact O-N 2.69Å; D137-I139 PolarHBondContact O-N 3.25Å; I139-L142 HydrophobicContact CD1-CB 4.31Å; I139-L142 HydrophobicContact CD1-CD1 3.92Å; I139-L142 PolarHBondContact O-N 3.05Å; I139-H143 WeakPolarHBondContact CG1-NE2 3.44Å; I139-H143 VanDerWaalsContact O-CB 3.32Å; I139-H143 WeakPolarHBondContact O-CB 3.43Å; I139-H143 PolarHBondContact O-CD2 3.25Å; I139-H143 VanDerWaalsContact O-CG 3.24Å; I139-H143 PolarHBondContact O-N 2.77Å; I139-H149 HydrophobicContact CD1-CB 3.92Å; I139-L152 HydrophobicContact CD1-CD1 3.97Å; I139-L152 HydrophobicContact CG1-CD1 4.26Å; I139-I171 HydrophobicContact CB-CD1 4.45Å; I139-D216 HydrophobicContact CD1-CB 4.12Å; I139-D216 HydrophobicContact CG1-CB 4.08Å; I139-I220 HydrophobicContact CB-CD1 3.99Å; I139-I220 HydrophobicContact CG1-CD1 4.15Å; I139-I220 HydrophobicContact CG2-CD1 3.41Å; I139-I220 VanDerWaalsContact CG2-CD1 3.41Å
140H98.7Very high96.4Very high61 Ų6125.8 Ų25.828%0.28212%0.123SC..Hα-helixtrans-60.7-48.5174.5174.274.7000110.2L136 D137 G138 L142 H143 A144 S326 M330L136-H140 WeakPolarHBondContact O-CB 3.39Å; L136-H140 PolarHBondContact O-N 2.67Å; D137-H140 PolarHBondContact O-N 3.41Å; G138-H140 VanDerWaalsContact C-N 3.35Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.27Å; H140-H143 PolarHBondContact O-N 2.87Å; H140-A144 WeakPolarHBondContact O-CB 3.36Å; H140-A144 PolarHBondContact O-N 3.16Å; H140-S326 WeakPolarHBondContact CA-OG 3.44Å; H140-M330 HydrophobicContact CB-SD 3.98Å
141Y98.6Very high95.9Very high45 Ų4526.4 Ų26.418%0.17613%0.126CC..Hα-helixtrans-56.1-46.4174.1173.3-97.5000112.3L73 K74 H75 V78 D137 G138 H143 A144 N145L73-Y141 HydrophobicContact CB-CE1 4.25Å; L73-Y141 HydrophobicContact CD2-CD1 4.46Å; L73-Y141 HydrophobicContact CD2-CE1 3.64Å; K74-Y141 PolarHBondContact N-OH 3.16Å; K74-Y141 PolarHBondContact O-OH 2.83Å; H75-Y141 HydrophobicContact CB-CD1 3.45Å; H75-Y141 VanDerWaalsContact CB-CD1 3.45Å; H75-Y141 HydrophobicContact CB-CD2 4.07Å; H75-Y141 HydrophobicContact CB-CE1 3.7Å; H75-Y141 HydrophobicContact CB-CE2 4.3Å; H75-Y141 HydrophobicContact CB-CG 3.64Å; H75-Y141 AromaticContact CD2-CD2 3.75Å; H75-Y141 AromaticContact CD2-CG 3.65Å; H75-Y141 AromaticContact CG-CD1 3.96Å; H75-Y141 AromaticContact CG-CG 3.68Å; V78-Y141 HydrophobicContact CG2-CD1 4.13Å; D137-Y141 PolarHBondContact O-N 3.21Å; G138-Y141 PolarHBondContact O-N 3.45Å; Y141-H143 PolarHBondContact O-N 2.85Å; Y141-A144 PolarHBondContact O-N 3.16Å; Y141-N145 VanDerWaalsContact CE2-ND2 3.25Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.27Å; Y141-N145 PolarHBondContact O-N 3.42Å; Y141-N145 VanDerWaalsContact O-N 3.12Å; Y141-N145 PolarHBondContact O-ND2 2.93Å
142L97.2Very high95.7Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-60.5-47.1176.5-66.8-179.8000111.5L73 V78 G138 I139 H140 A144 N145 W146 V147 M174L73-L142 HydrophobicContact CD1-CD2 3.68Å; L73-L142 HydrophobicContact CD2-CD2 3.87Å; L73-L142 HydrophobicContact CG-CD2 4.38Å; V78-L142 HydrophobicContact CG1-CD2 4.36Å; V78-L142 HydrophobicContact CG2-CD2 4.05Å; V78-L142 HydrophobicContact CG2-CG 4.13Å; G138-L142 WeakPolarHBondContact O-CG 3.48Å; G138-L142 PolarHBondContact O-N 3.21Å; I139-L142 HydrophobicContact CD1-CB 4.31Å; I139-L142 HydrophobicContact CD1-CD1 3.92Å; I139-L142 PolarHBondContact O-N 3.05Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.27Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 2.94Å; L142-N145 CarbonylContact O-C 3.28Å; L142-N145 PolarHBondContact O-N 2.95Å; L142-N145 VanDerWaalsContact O-N 3.1Å; L142-W146 PolarHBondContact O-N 3.3Å; L142-V147 CarbonylContact C-O 3.52Å; L142-V147 VanDerWaalsContact C-O 3.28Å; L142-V147 HydrophobicContact CB-CB 4.21Å; L142-V147 HydrophobicContact CD2-CB 4.33Å; L142-V147 HydrophobicContact CD2-CG1 4.23Å; L142-V147 PolarHBondContact O-N 3.29Å; L142-M174 HydrophobicContact CD1-CE 4.12Å; L142-M174 HydrophobicContact CD1-SD 4.28Å
143H96.2Very high95.5Very high5 Ų528.6 Ų28.62%0.02314%0.135CC..Hα-helixtrans-65.6-31-179.7-75-172.9000113.3I139 H140 Y141 W146 V147 K213 D216I139-H143 WeakPolarHBondContact CG1-NE2 3.44Å; I139-H143 VanDerWaalsContact O-CB 3.32Å; I139-H143 WeakPolarHBondContact O-CB 3.43Å; I139-H143 PolarHBondContact O-CD2 3.25Å; I139-H143 VanDerWaalsContact O-CG 3.24Å; I139-H143 PolarHBondContact O-N 2.77Å; H140-H143 PolarHBondContact O-N 2.87Å; Y141-H143 PolarHBondContact O-N 2.85Å; H143-W146 PolarHBondContact O-N 3.49Å; H143-V147 PolarHBondContact CD2-O 2.93Å; H143-K213 HydrophobicContact CB-CD 3.92Å; H143-K213 HydrophobicContact CB-CG 4.28Å; H143-K213 PolarHBondContact CE1-O 3.11Å; H143-K213 VanDerWaalsContact O-CE 3.25Å; H143-K213 WeakPolarHBondContact O-CE 3.26Å; H143-K213 PolarHBondContact O-NZ 3.4Å; H143-D216 IonicContact CD2-OD2 3.76Å; H143-D216 IonicContact CE1-OD2 3.66Å; H143-D216 IonicContact NE2-OD2 3.66Å; H143-D216 PolarHBondContact NE2-OD2 3.28Å
144A96.1Very high95.4Very high55 Ų5525 Ų2546%0.45512%0.121SC..Hα-helixtrans-70.5-32.6173.300000111.8H140 Y141 L142 W146H140-A144 WeakPolarHBondContact O-CB 3.36Å; H140-A144 PolarHBondContact O-N 3.16Å; Y141-A144 PolarHBondContact O-N 3.16Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 2.94Å; A144-W146 VanDerWaalsContact C-N 3.27Å; A144-W146 PolarHBondContact O-N 3.42Å
145N94.6Very high95.1Very high75 Ų7526.4 Ų26.440%0.40114%0.135SC..THydrogen-bonded Turntrans-91.120175.7-70.1-78.5000113.5L73 Y141 L142 V147L73-N145 HydrophobicContact CD2-CB 4.37Å; Y141-N145 VanDerWaalsContact CE2-ND2 3.25Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.27Å; Y141-N145 PolarHBondContact O-N 3.42Å; Y141-N145 VanDerWaalsContact O-N 3.12Å; Y141-N145 PolarHBondContact O-ND2 2.93Å; L142-N145 CarbonylContact O-C 3.28Å; L142-N145 PolarHBondContact O-N 2.95Å; L142-N145 VanDerWaalsContact O-N 3.1Å; N145-V147 PolarHBondContact O-N 3.32Å
146W91Very high95Very high139 Ų13927 Ų2753%0.52714%0.139SC..THydrogen-bonded Turntrans60.425.1177.4-57.778.1000114.8L142 H143 A144 L179 F180L142-W146 PolarHBondContact O-N 3.3Å; H143-W146 PolarHBondContact O-N 3.49Å; A144-W146 VanDerWaalsContact C-N 3.27Å; A144-W146 PolarHBondContact O-N 3.42Å; W146-L179 VanDerWaalsContact O-CA 3.3Å; W146-L179 WeakPolarHBondContact O-CA 3.46Å; W146-F180 VanDerWaalsContact C-CD1 3.43Å; W146-F180 HydrophobicContact CB-CD1 4.23Å; W146-F180 HydrophobicContact CB-CE1 3.95Å; W146-F180 HydrophobicContact CB-CZ 4.15Å; W146-F180 AromaticContact CD2-CE2 3.91Å; W146-F180 HydrophobicContact CD2-CE2 3.91Å; W146-F180 AromaticContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CE3-CD1 4.5Å; W146-F180 AromaticContact CE3-CD2 3.42Å; W146-F180 HydrophobicContact CE3-CD2 3.42Å; W146-F180 VanDerWaalsContact CE3-CD2 3.42Å; W146-F180 HydrophobicContact CE3-CE1 4.18Å; W146-F180 AromaticContact CE3-CE2 2.96Å; W146-F180 HydrophobicContact CE3-CE2 2.96Å; W146-F180 HydrophobicContact CE3-CG 4.17Å; W146-F180 AromaticContact CE3-CZ 3.35Å; W146-F180 HydrophobicContact CE3-CZ 3.35Å; W146-F180 HydrophobicContact CG-CE1 4.5Å; W146-F180 HydrophobicContact CG-CZ 4.22Å; W146-F180 HydrophobicContact CH2-CE2 4.28Å; W146-F180 AromaticContact CZ3-CD2 3.76Å; W146-F180 HydrophobicContact CZ3-CD2 3.76Å; W146-F180 AromaticContact CZ3-CE2 3.2Å; W146-F180 HydrophobicContact CZ3-CE2 3.2Å; W146-F180 AromaticContact CZ3-CZ 3.93Å; W146-F180 HydrophobicContact CZ3-CZ 3.93Å; W146-F180 WeakPolarHBondContact O-CD1 3.39Å; W146-F180 WeakPolarHBondContact O-CE1 3.5Å; W146-F180 PolarHBondContact O-N 3.41Å
147V91.5Very high94.9Very high2 Ų227 Ų271%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-104.3122.6177.3-178.50000110L69 L73 L142 H143 N145 A177 L179L69-V147 HydrophobicContact CD1-CG1 4.32Å; L69-V147 HydrophobicContact CD2-CG2 3.91Å; L73-V147 HydrophobicContact CD2-CG2 4.28Å; L142-V147 CarbonylContact C-O 3.52Å; L142-V147 VanDerWaalsContact C-O 3.28Å; L142-V147 HydrophobicContact CB-CB 4.21Å; L142-V147 HydrophobicContact CD2-CB 4.33Å; L142-V147 HydrophobicContact CD2-CG1 4.23Å; L142-V147 PolarHBondContact O-N 3.29Å; H143-V147 PolarHBondContact CD2-O 2.93Å; N145-V147 PolarHBondContact O-N 3.32Å; V147-A177 HydrophobicContact CG1-CB 4.02Å; V147-L179 HydrophobicContact CG2-CD2 3.94Å
148L90.7Very high94.9Very high4 Ų426.5 Ų26.52%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-95.6139.3166.9-58.5179.4000109.6R150 A177 R178 F180 Y211 K213L148-R150 HydrophobicContact CB-CG 3.82Å; L148-A177 CarbonylContact O-C 3.59Å; L148-A177 WeakPolarHBondContact O-CA 3.39Å; L148-A177 WeakPolarHBondContact O-CB 3.31Å; L148-R178 PolarHBondContact N-O 3.37Å; L148-R178 PolarHBondContact O-N 2.96Å; L148-R178 VanDerWaalsContact O-N 3.09Å; L148-F180 HydrophobicContact CD1-CB 4.29Å; L148-F180 HydrophobicContact CD1-CD1 4.19Å; L148-F180 HydrophobicContact CD1-CG 4.44Å; L148-F180 HydrophobicContact CD2-CD1 3.9Å; L148-F180 HydrophobicContact CD2-CE1 3.93Å; L148-F180 HydrophobicContact CG-CD1 3.64Å; L148-F180 HydrophobicContact CG-CE1 4.18Å; L148-F180 HydrophobicContact CG-CG 4.37Å; L148-Y211 WeakPolarHBondContact CD1-O 3.35Å; L148-K213 HydrophobicContact CD2-CB 4.38Å; L148-K213 HydrophobicContact CD2-CG 3.78Å
149H92.4Very high94.9Very high0 Ų026.5 Ų26.50%014%0.136CC..  trans-80.4-47.3-179.2-172.6-76.1000112.2I139 D151 L152 I171 A172 D216I139-H149 HydrophobicContact CD1-CB 3.92Å; H149-D151 PolarHBondContact CE1-O 3.13Å; H149-D151 VanDerWaalsContact CE1-O 3.31Å; H149-D151 VanDerWaalsContact ND1-C 3.29Å; H149-D151 PolarHBondContact ND1-N 3.33Å; H149-D151 PolarHBondContact O-N 3.34Å; H149-L152 HydrophobicContact CB-CD1 4.37Å; H149-L152 HydrophobicContact CB-CD2 4.07Å; H149-L152 HydrophobicContact CB-CG 3.87Å; H149-L152 VanDerWaalsContact CG-CD2 3.48Å; H149-L152 PolarHBondContact ND1-N 2.76Å; H149-I171 VanDerWaalsContact CD2-CG2 3.49Å; H149-I171 WeakPolarHBondContact CD2-CG2 3.29Å; H149-A172 PolarHBondContact NE2-O 3.07Å; H149-D216 PolarHBondContact N-OD2 2.86Å
150R89.1Confident94.9Very high22 Ų2227.4 Ų27.48%0.08314%0.14CC..  trans71.2-14.8172.3-52.5175.148.6-142.7-1.1117.3L148 F176 D191 Y211 D216L148-R150 HydrophobicContact CB-CG 3.82Å; R150-F176 HydrophobicContact CB-CB 4.09Å; R150-F176 VanDerWaalsContact CD-O 3.26Å; R150-F176 WeakPolarHBondContact CD-O 3.46Å; R150-F176 PolarHBondContact NH1-O 3.2Å; R150-D191 IonicContact CZ-OD1 2.73Å; R150-D191 IonicContact CZ-OD2 3.7Å; R150-D191 IonicContact NH1-OD1 2.82Å; R150-D191 PolarHBondContact NH1-OD1 3.38Å; R150-D191 IonicContact NH1-OD2 3.12Å; R150-D191 IonicContact NH2-OD1 2.68Å; R150-D191 PolarHBondContact NH2-OD1 3.39Å; R150-D191 IonicContact NH2-OD2 2.75Å; R150-D191 PolarHBondContact NH2-OD2 3.1Å; R150-Y211 HydrophobicContact CB-CD1 3.93Å; R150-Y211 HydrophobicContact CB-CE1 3.86Å; R150-Y211 HydrophobicContact CG-CD1 3.6Å; R150-Y211 HydrophobicContact CG-CE1 4.04Å; R150-Y211 HydrophobicContact CG-CG 3.88Å; R150-Y211 VanDerWaalsContact NE-CG 3.29Å; R150-Y211 PolarHBondContact NH2-OH 3.08Å; R150-D216 PolarHBondContact N-OD1 3.19Å
151D88.7Confident94.9Very high14 Ų1424.9 Ų24.98%0.07513%0.13CC..  trans-13346.5174.7-168.927.3000112.1Y32 H149 K153 N156 F176Y32-D151 PolarHBondContact OH-OD2 2.96Å; H149-D151 PolarHBondContact CE1-O 3.13Å; H149-D151 VanDerWaalsContact CE1-O 3.31Å; H149-D151 VanDerWaalsContact ND1-C 3.29Å; H149-D151 PolarHBondContact ND1-N 3.33Å; H149-D151 PolarHBondContact O-N 3.34Å; D151-K153 VanDerWaalsContact CG-NZ 3.35Å; D151-K153 PolarHBondContact O-N 3.09Å; D151-K153 IonicContact OD1-NZ 3.89Å; D151-K153 PolarHBondContact OD1-NZ 3.28Å; D151-K153 IonicContact OD2-NZ 2.71Å; D151-K153 PolarHBondContact OD2-NZ 3.36Å; D151-N156 PolarHBondContact O-ND2 3.35Å; D151-F176 HydrophobicContact CB-CB 4.1Å; D151-F176 HydrophobicContact CB-CD2 3.8Å; D151-F176 HydrophobicContact CB-CG 3.99Å
152L94.6Very high94.8Very high3 Ų329.1 Ų29.12%0.01615%0.152CC..  trans-71.4125.1175.4-73.4175.8000110.2I139 H149 I157 I171 Y199 D216 A219 I220 I223I139-L152 HydrophobicContact CD1-CD1 3.97Å; I139-L152 HydrophobicContact CG1-CD1 4.26Å; H149-L152 HydrophobicContact CB-CD1 4.37Å; H149-L152 HydrophobicContact CB-CD2 4.07Å; H149-L152 HydrophobicContact CB-CG 3.87Å; H149-L152 VanDerWaalsContact CG-CD2 3.48Å; H149-L152 PolarHBondContact ND1-N 2.76Å; L152-I157 HydrophobicContact CD2-CD1 4.02Å; L152-I171 HydrophobicContact CD2-CG2 3.99Å; L152-Y199 WeakPolarHBondContact O-CB 3.45Å; L152-D216 HydrophobicContact CD1-CB 3.81Å; L152-A219 HydrophobicContact CB-CB 3.76Å; L152-I220 HydrophobicContact CD1-CD1 4.01Å; L152-I220 HydrophobicContact CD1-CG1 3.82Å; L152-I223 HydrophobicContact CB-CD1 4.46Å
153K94.3Very high94.7Very high43 Ų4331.2 Ų31.219%0.18717%0.173CC..  trans-159.4161.8177.963.9-163.9177.8-1510109.5D151 A155 N156 I157 Y199D151-K153 VanDerWaalsContact CG-NZ 3.35Å; D151-K153 PolarHBondContact O-N 3.09Å; D151-K153 IonicContact OD1-NZ 3.89Å; D151-K153 PolarHBondContact OD1-NZ 3.28Å; D151-K153 IonicContact OD2-NZ 2.71Å; D151-K153 PolarHBondContact OD2-NZ 3.36Å; K153-A155 HydrophobicContact CG-CB 4.4Å; K153-A155 PolarHBondContact O-N 3.04Å; K153-A155 VanDerWaalsContact O-N 3.08Å; K153-N156 WeakPolarHBondContact CE-ND2 3.45Å; K153-N156 HydrophobicContact CG-CB 4.23Å; K153-N156 PolarHBondContact O-N 3.3Å; K153-I157 PolarHBondContact O-N 3.41Å; K153-Y199 HydrophobicContact CB-CD2 3.67Å; K153-Y199 HydrophobicContact CB-CE2 3.79Å; K153-Y199 HydrophobicContact CB-CG 4.15Å
154P96.7Very high94.8Very high2 Ų237.2 Ų37.21%0.01321%0.213CC..G310 helixtrans-53.7-33.7-177-30.837.1000115.2L104 W105 I108 N156 I157 Y199 I223L104-P154 HydrophobicContact CB-CB 3.81Å; L104-P154 WeakPolarHBondContact CB-O 3.38Å; L104-P154 PolarHBondContact N-O 3.36Å; W105-P154 HydrophobicContact CB-CB 4.06Å; W105-P154 PolarHBondContact N-O 3.25Å; I108-P154 HydrophobicContact CD1-CB 4.08Å; I108-P154 HydrophobicContact CD1-CG 4.12Å; P154-N156 PolarHBondContact O-N 2.88Å; P154-I157 PolarHBondContact O-N 3.26Å; P154-Y199 WeakPolarHBondContact CD-OH 3.42Å; P154-Y199 HydrophobicContact CG-CE1 3.93Å; P154-Y199 WeakPolarHBondContact CG-OH 3.41Å; P154-I223 HydrophobicContact CG-CG1 4.28Å
155A93.3Very high94.8Very high42 Ų4236.5 Ų36.535%0.34720%0.2SC..G310 helixtrans-67.9-22.8177.800000113.6W105 K153W105-A155 HydrophobicContact CB-CB 4.21Å; K153-A155 HydrophobicContact CG-CB 4.4Å; K153-A155 PolarHBondContact O-N 3.04Å; K153-A155 VanDerWaalsContact O-N 3.08Å
156N95.5Very high95Very high13 Ų1334.9 Ų34.97%0.0719%0.189CC..G310 helixtrans-96.81.2-179.6-691.3000112.3D151 K153 P154 A172 D173D151-N156 PolarHBondContact O-ND2 3.35Å; K153-N156 WeakPolarHBondContact CE-ND2 3.45Å; K153-N156 HydrophobicContact CG-CB 4.23Å; K153-N156 PolarHBondContact O-N 3.3Å; P154-N156 PolarHBondContact O-N 2.88Å; N156-A172 PolarHBondContact O-N 2.96Å; N156-D173 PolarHBondContact ND2-OD2 3.14Å
157I98.4Very high95.4Very high0 Ų028.3 Ų28.30%016%0.163CC..EExtended strand (participates in β ladder)trans-10695.6173-51.7-58.1000108D103 L104 I135 L152 K153 P154 V169 I171 I223D103-I157 VanDerWaalsContact CA-O 3.3Å; D103-I157 WeakPolarHBondContact CA-O 2.98Å; D103-I157 WeakPolarHBondContact CB-O 3.26Å; L104-I157 HydrophobicContact CB-CB 4.35Å; L104-I157 HydrophobicContact CD1-CB 3.74Å; L104-I157 HydrophobicContact CD1-CG1 4.19Å; L104-I157 HydrophobicContact CD1-CG2 3.56Å; L104-I157 HydrophobicContact CG-CB 3.81Å; L104-I157 HydrophobicContact CG-CG2 3.71Å; L104-I157 PolarHBondContact N-O 3.43Å; I135-I157 HydrophobicContact CD1-CG1 4.47Å; I135-I157 HydrophobicContact CD1-CG2 3.91Å; I135-I157 HydrophobicContact CG1-CD1 4.37Å; I135-I157 HydrophobicContact CG1-CG2 3.81Å; I135-I157 HydrophobicContact CG2-CD1 4.44Å; L152-I157 HydrophobicContact CD2-CD1 4.02Å; K153-I157 PolarHBondContact O-N 3.41Å; P154-I157 PolarHBondContact O-N 3.26Å; I157-V169 HydrophobicContact CG2-CG1 3.67Å; I157-I171 HydrophobicContact CD1-CG1 4.12Å; I157-I223 HydrophobicContact CG1-CD1 4.17Å
158L98.6Very high95.7Very high31 Ų3131.7 Ų31.716%0.16218%0.176CC..EExtended strand (participates in β ladder)trans-82.6154.8179.4-46.4179.9000110.2I79 A100 H102 D103 V169 K170 A172I79-L158 HydrophobicContact CD1-CD1 4.4Å; A100-L158 HydrophobicContact CB-CB 3.64Å; A100-L158 HydrophobicContact CB-CD1 3.96Å; A100-L158 HydrophobicContact CB-CG 4.36Å; H102-L158 WeakPolarHBondContact O-CA 3.5Å; D103-L158 HydrophobicContact CB-CD2 3.93Å; L158-V169 CarbonylContact O-C 3.59Å; L158-V169 WeakPolarHBondContact O-CA 3.46Å; L158-K170 HydrophobicContact CB-CB 4.23Å; L158-K170 WeakPolarHBondContact CB-O 3.39Å; L158-K170 PolarHBondContact N-O 3.25Å; L158-K170 PolarHBondContact O-N 3.05Å; L158-A172 HydrophobicContact CD1-CB 3.52Å; L158-A172 HydrophobicContact CG-CB 3.75Å
159V98.8Very high96.1Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-131.7125.2173.6-174.80000108.4H102 L104 I107 L131 R168 V345 F346H102-V159 HydrophobicContact CB-CB 4.19Å; H102-V159 PolarHBondContact N-O 2.95Å; H102-V159 VanDerWaalsContact N-O 3.12Å; H102-V159 PolarHBondContact O-N 2.89Å; L104-V159 HydrophobicContact CD2-CG2 4.19Å; I107-V159 HydrophobicContact CD1-CB 4.38Å; I107-V159 HydrophobicContact CD1-CG2 4.08Å; L131-V159 HydrophobicContact CD2-CG2 3.89Å; V159-R168 WeakPolarHBondContact CA-O 3.49Å; V159-V345 HydrophobicContact CG1-CG2 3.9Å; V159-F346 HydrophobicContact CG1-CE1 4.36Å; V159-F346 HydrophobicContact CG1-CE2 3.91Å; V159-F346 HydrophobicContact CG1-CZ 3.53Å
160M98.6Very high96.4Very high20 Ų2032 Ų3210%0.09918%0.177CC..  trans-63.6136.9178.6-61.6-58.6-74.500110.4D98 A100 E165 G167 R168 K170D98-M160 HydrophobicContact CB-CE 4.2Å; A100-M160 HydrophobicContact CB-SD 3.9Å; M160-E165 HydrophobicContact CB-CB 4.25Å; M160-E165 WeakPolarHBondContact CB-O 3.46Å; M160-E165 HydrophobicContact CE-CB 4.3Å; M160-E165 HydrophobicContact CG-CB 3.94Å; M160-G167 PolarHBondContact O-N 3.49Å; M160-R168 HydrophobicContact CG-CB 4.18Å; M160-R168 WeakPolarHBondContact CG-O 3.42Å; M160-R168 PolarHBondContact N-O 2.77Å; M160-K170 HydrophobicContact CG-CG 4.05Å; M160-K170 HydrophobicContact SD-CG 3.84Å
161G98Very high96.9Very high7 Ų731 Ų317%0.07217%0.173CC..  trans-78.9-148.9176.500000112.2R166G161-R166 VanDerWaalsContact O-CA 3.31Å; G161-R166 WeakPolarHBondContact O-CA 3.36Å
162E96.9Very high97.1Very high134 Ų13430.9 Ų30.963%0.62617%0.174SC*.SBendtrans-62.8141.4173.1-63.5-61.8167.300111.4R166 I351E162-R166 IonicContact OE1-CZ 2.67Å; E162-R166 IonicContact OE1-NE 3.43Å; E162-R166 PolarHBondContact OE1-NE 3.49Å; E162-R166 IonicContact OE1-NH2 3.13Å; E162-R166 PolarHBondContact OE1-NH2 2.74Å; E162-R166 WeakPolarHBondContact OE2-CD 3.34Å; E162-R166 IonicContact OE2-CZ 3.05Å; E162-R166 IonicContact OE2-NE 3.25Å; E162-R166 PolarHBondContact OE2-NE 3.22Å; E162-R166 IonicContact OE2-NH2 2.76Å; E162-I351 HydrophobicContact CG-CD1 4.25Å; E162-I351 WeakPolarHBondContact OE1-CD1 3.48Å
163G95.9Very high96.7Very high44 Ų4431.5 Ų31.545%0.45418%0.178SC..SBendtrans139.2-170-178.600000113.9E165 R166G163-E165 PolarHBondContact O-N 3.3Å; G163-R166 WeakPolarHBondContact O-CB 3.45Å; G163-R166 PolarHBondContact O-N 3.23Å
164P96.6Very high95.9Very high131 Ų13129.5 Ų29.585%0.85117%0.169SC*.THydrogen-bonded Turntrans-67.2-22.3-174.126.7-35.2000114.1
165E97.9Very high94.4Very high40 Ų4029.6 Ų29.619%0.18717%0.17CC..THydrogen-bonded Turntrans-106.326.5176.8-62.2-15999.200112.4M160 G163 G167 R168 K170M160-E165 HydrophobicContact CB-CB 4.25Å; M160-E165 WeakPolarHBondContact CB-O 3.46Å; M160-E165 HydrophobicContact CE-CB 4.3Å; M160-E165 HydrophobicContact CG-CB 3.94Å; G163-E165 PolarHBondContact O-N 3.3Å; E165-G167 PolarHBondContact O-N 3.31Å; E165-R168 HydrophobicContact CB-CB 4.23Å; E165-R168 WeakPolarHBondContact O-CB 3.5Å; E165-R168 PolarHBondContact O-N 3.47Å; E165-R168 VanDerWaalsContact OE1-CD 3.31Å; E165-R168 WeakPolarHBondContact OE1-CD 3.28Å; E165-R168 IonicContact OE1-CZ 3.21Å; E165-R168 IonicContact OE1-NE 3.65Å; E165-R168 IonicContact OE1-NH1 3.06Å; E165-R168 PolarHBondContact OE1-NH1 3.37Å; E165-K170 IonicContact OE1-NZ 3.81Å; E165-K170 PolarHBondContact OE1-NZ 3.22Å; E165-K170 VanDerWaalsContact OE2-CE 3.24Å; E165-K170 WeakPolarHBondContact OE2-CE 3.44Å; E165-K170 IonicContact OE2-NZ 3.58Å; E165-K170 PolarHBondContact OE2-NZ 2.96Å
166R98.4Very high93.2Very high42 Ų4227.8 Ų27.816%0.15816%0.155CC..THydrogen-bonded Turntrans-43.9126.8-174.6-172.5-176-163.5-91.5-1.4113.6G161 E162 G163 R168 D344 C349G161-R166 VanDerWaalsContact O-CA 3.31Å; G161-R166 WeakPolarHBondContact O-CA 3.36Å; E162-R166 IonicContact OE1-CZ 2.67Å; E162-R166 IonicContact OE1-NE 3.43Å; E162-R166 PolarHBondContact OE1-NE 3.49Å; E162-R166 IonicContact OE1-NH2 3.13Å; E162-R166 PolarHBondContact OE1-NH2 2.74Å; E162-R166 WeakPolarHBondContact OE2-CD 3.34Å; E162-R166 IonicContact OE2-CZ 3.05Å; E162-R166 IonicContact OE2-NE 3.25Å; E162-R166 PolarHBondContact OE2-NE 3.22Å; E162-R166 IonicContact OE2-NH2 2.76Å; G163-R166 WeakPolarHBondContact O-CB 3.45Å; G163-R166 PolarHBondContact O-N 3.23Å; R166-R168 PolarHBondContact O-N 3.35Å; R166-R168 VanDerWaalsContact O-N 3.16Å; R166-D344 IonicContact CZ-OD2 2.77Å; R166-D344 IonicContact NH1-OD1 2.76Å; R166-D344 IonicContact NH1-OD2 3.96Å; R166-D344 PolarHBondContact NH1-OD2 2.72Å; R166-D344 WeakPolarHBondContact O-CA 3.22Å; R166-D344 WeakPolarHBondContact O-CB 3.45Å; R166-C349 PolarHBondContact NH1-O 2.77Å; R166-C349 PolarHBondContact NH2-O 2.82Å
167G98.4Very high92Very high0 Ų027.1 Ų27.10%015%0.151CC..THydrogen-bonded Turntrans6710.2176.800000114.8M160 E165 D344 V345 F346M160-G167 PolarHBondContact O-N 3.49Å; E165-G167 PolarHBondContact O-N 3.31Å; G167-D344 WeakPolarHBondContact CA-OD1 3.45Å; G167-V345 VanDerWaalsContact O-CG1 3.3Å; G167-V345 WeakPolarHBondContact O-CG1 3.42Å; G167-V345 VanDerWaalsContact O-CG2 3.29Å; G167-V345 WeakPolarHBondContact O-CG2 3.15Å; G167-V345 PolarHBondContact O-N 3.21Å; G167-F346 VanDerWaalsContact CA-CE2 3.49Å
168R98.9Very high90.7Very high73 Ų7330.9 Ų30.928%0.27517%0.165SC..  trans-75.5134.4175-172.3168.3-67.8168.1-1.3110.6P76 V159 M160 E165 R166P76-R168 WeakPolarHBondContact O-CD 3.14Å; V159-R168 WeakPolarHBondContact CA-O 3.49Å; M160-R168 HydrophobicContact CG-CB 4.18Å; M160-R168 WeakPolarHBondContact CG-O 3.42Å; M160-R168 PolarHBondContact N-O 2.77Å; E165-R168 HydrophobicContact CB-CB 4.23Å; E165-R168 WeakPolarHBondContact O-CB 3.5Å; E165-R168 PolarHBondContact O-N 3.47Å; E165-R168 VanDerWaalsContact OE1-CD 3.31Å; E165-R168 WeakPolarHBondContact OE1-CD 3.28Å; E165-R168 IonicContact OE1-CZ 3.21Å; E165-R168 IonicContact OE1-NE 3.65Å; E165-R168 IonicContact OE1-NH1 3.06Å; E165-R168 PolarHBondContact OE1-NH1 3.37Å; R166-R168 PolarHBondContact O-N 3.35Å; R166-R168 VanDerWaalsContact O-N 3.16Å
169V98.8Very high89.2Confident0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-72.6139.6172172.50000109.8N77 L131 Q134 I135 I157 L158 V345N77-V169 VanDerWaalsContact CA-O 3.25Å; N77-V169 WeakPolarHBondContact CA-O 3.36Å; N77-V169 PolarHBondContact ND2-O 3.08Å; L131-V169 HydrophobicContact CD2-CG2 3.62Å; Q134-V169 HydrophobicContact CB-CB 3.8Å; Q134-V169 HydrophobicContact CB-CG2 3.77Å; I135-V169 HydrophobicContact CG1-CG1 4.06Å; I157-V169 HydrophobicContact CG2-CG1 3.67Å; L158-V169 CarbonylContact O-C 3.59Å; L158-V169 WeakPolarHBondContact O-CA 3.46Å; V169-V345 HydrophobicContact CG2-CG1 4.41Å
170K98.7Very high87.6Confident11 Ų1136 Ų365%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-127.5112167.9-56-70.3-176.8174.50109.1P76 I79 L158 M160 E165 A172P76-K170 VanDerWaalsContact O-CD 3.31Å; P76-K170 WeakPolarHBondContact O-CD 3.29Å; P76-K170 WeakPolarHBondContact O-CE 3.35Å; P76-K170 PolarHBondContact O-NZ 3.4Å; I79-K170 HydrophobicContact CB-CB 4.45Å; I79-K170 HydrophobicContact CD1-CB 4.03Å; I79-K170 HydrophobicContact CD1-CG 4.24Å; L158-K170 HydrophobicContact CB-CB 4.23Å; L158-K170 WeakPolarHBondContact CB-O 3.39Å; L158-K170 PolarHBondContact N-O 3.25Å; L158-K170 PolarHBondContact O-N 3.05Å; M160-K170 HydrophobicContact CG-CG 4.05Å; M160-K170 HydrophobicContact SD-CG 3.84Å; E165-K170 IonicContact OE1-NZ 3.81Å; E165-K170 PolarHBondContact OE1-NZ 3.22Å; E165-K170 VanDerWaalsContact OE2-CE 3.24Å; E165-K170 WeakPolarHBondContact OE2-CE 3.44Å; E165-K170 IonicContact OE2-NZ 3.58Å; E165-K170 PolarHBondContact OE2-NZ 2.96Å; K170-A172 PolarHBondContact O-N 3.35Å
171I98.5Very high85.6Confident0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-70.1125.1169.7-58.5174.3000107.7N77 I79 I139 H149 L152 I157 M174N77-I171 WeakPolarHBondContact O-CG1 3.16Å; N77-I171 PolarHBondContact O-N 3.45Å; I79-I171 PolarHBondContact N-O 3.21Å; I139-I171 HydrophobicContact CB-CD1 4.45Å; H149-I171 VanDerWaalsContact CD2-CG2 3.49Å; H149-I171 WeakPolarHBondContact CD2-CG2 3.29Å; L152-I171 HydrophobicContact CD2-CG2 3.99Å; I157-I171 HydrophobicContact CD1-CG1 4.12Å; I171-M174 HydrophobicContact CB-CE 4.46Å; I171-M174 HydrophobicContact CG2-CE 3.78Å
172A94.4Very high82.9Confident12 Ų1244.7 Ų44.710%0.09925%0.245CC..  trans-126.1171.8-174.300000112.1I79 H149 N156 L158 K170I79-A172 HydrophobicContact CB-CB 4.28Å; I79-A172 HydrophobicContact CG2-CB 4.13Å; H149-A172 PolarHBondContact NE2-O 3.07Å; N156-A172 PolarHBondContact O-N 2.96Å; L158-A172 HydrophobicContact CD1-CB 3.52Å; L158-A172 HydrophobicContact CG-CB 3.75Å; K170-A172 PolarHBondContact O-N 3.35Å
173D84.3Confident80.7Confident17 Ų1743.5 Ų43.59%0.09125%0.249CC..  trans65.970.4176.2-165.921.6000114.6Y32 K52 N156 G175Y32-D173 WeakPolarHBondContact CD2-OD2 3.45Å; Y32-D173 WeakPolarHBondContact CE2-OD2 3.03Å; K52-D173 IonicContact NZ-OD1 3.9Å; N156-D173 PolarHBondContact ND2-OD2 3.14Å; D173-G175 PolarHBondContact O-N 3.3Å; D173-G175 VanDerWaalsContact O-N 3.09Å
174M77.7Confident78.8Confident0 Ų045.2 Ų45.20%025%0.247CC..G310 helixtrans-7715.2174.5-56.9-61.3145.500112.7L70 V78 L142 I171 F176 A177L70-M174 HydrophobicContact CD2-CG 3.77Å; L70-M174 HydrophobicContact CG-CG 4.24Å; V78-M174 HydrophobicContact CG1-CE 4.18Å; L142-M174 HydrophobicContact CD1-CE 4.12Å; L142-M174 HydrophobicContact CD1-SD 4.28Å; I171-M174 HydrophobicContact CB-CE 4.46Å; I171-M174 HydrophobicContact CG2-CE 3.78Å; M174-F176 PolarHBondContact O-N 3.49Å; M174-F176 VanDerWaalsContact O-N 3.09Å; M174-A177 HydrophobicContact CB-CB 3.91Å; M174-A177 VanDerWaalsContact O-CB 3.29Å; M174-A177 WeakPolarHBondContact O-CB 3.48Å; M174-A177 PolarHBondContact O-N 2.91Å; M174-A177 HydrophobicContact SD-CB 4.24Å
175G66Low76.7Confident4 Ų446.8 Ų46.84%0.04124%0.241CC..G310 helixtrans-61.4-16.1-178.800000114.5R65 D173R65-G175 PolarHBondContact NH1-O 2.78Å; R65-G175 PolarHBondContact NH2-O 2.82Å; D173-G175 PolarHBondContact O-N 3.3Å; D173-G175 VanDerWaalsContact O-N 3.09Å
176F68.3Low74.7Confident4 Ų449 Ų492%0.01826%0.259CS..G310 helixtrans-110.8-6172.1-68.2-96.5000113.1Y32 R65 R150 D151 M174 P192 V194Y32-F176 HydrophobicContact CD1-CE2 4.21Å; Y32-F176 HydrophobicContact CE1-CD2 4.39Å; Y32-F176 AromaticContact CE1-CE2 3.2Å; Y32-F176 HydrophobicContact CE1-CE2 3.2Å; Y32-F176 AromaticContact CE1-CZ 3.59Å; Y32-F176 HydrophobicContact CE1-CZ 3.59Å; Y32-F176 HydrophobicContact CE2-CE2 4.33Å; Y32-F176 AromaticContact CZ-CE2 3.25Å; Y32-F176 AromaticContact CZ-CZ 3.83Å; Y32-F176 WeakPolarHBondContact OH-CE2 3.35Å; Y32-F176 VanDerWaalsContact OH-CZ 3.27Å; Y32-F176 WeakPolarHBondContact OH-CZ 3.33Å; R65-F176 PolarHBondContact NH1-O 3.28Å; R150-F176 HydrophobicContact CB-CB 4.09Å; R150-F176 VanDerWaalsContact CD-O 3.26Å; R150-F176 WeakPolarHBondContact CD-O 3.46Å; R150-F176 PolarHBondContact NH1-O 3.2Å; D151-F176 HydrophobicContact CB-CB 4.1Å; D151-F176 HydrophobicContact CB-CD2 3.8Å; D151-F176 HydrophobicContact CB-CG 3.99Å; M174-F176 PolarHBondContact O-N 3.49Å; M174-F176 VanDerWaalsContact O-N 3.09Å; F176-P192 HydrophobicContact CE1-CB 3.89Å; F176-P192 HydrophobicContact CE1-CG 3.73Å; F176-P192 HydrophobicContact CZ-CB 3.88Å; F176-P192 HydrophobicContact CZ-CG 3.78Å; F176-V194 HydrophobicContact CE1-CG2 4.11Å
177A69.8Low72.6Confident0 Ų050.2 Ų50.20%027%0.268CS..  trans-59.8151.1-170.100000111.9R65 L69 V147 L148 M174R65-A177 WeakPolarHBondContact CD-O 3.11Å; R65-A177 PolarHBondContact NE-O 3.45Å; R65-A177 PolarHBondContact NH1-O 3.33Å; L69-A177 HydrophobicContact CD1-CB 3.65Å; V147-A177 HydrophobicContact CG1-CB 4.02Å; L148-A177 CarbonylContact O-C 3.59Å; L148-A177 WeakPolarHBondContact O-CA 3.39Å; L148-A177 WeakPolarHBondContact O-CB 3.31Å; M174-A177 HydrophobicContact CB-CB 3.91Å; M174-A177 VanDerWaalsContact O-CB 3.29Å; M174-A177 WeakPolarHBondContact O-CB 3.48Å; M174-A177 PolarHBondContact O-N 2.91Å; M174-A177 HydrophobicContact SD-CB 4.24Å
178R71Confident70.4Confident78 Ų7852.9 Ų52.929%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-139.9142172.8-66.1-70.4-177-143.1-10.4108.9L148 F180 D191L148-R178 PolarHBondContact N-O 3.37Å; L148-R178 PolarHBondContact O-N 2.96Å; L148-R178 VanDerWaalsContact O-N 3.09Å; R178-F180 PolarHBondContact O-N 2.87Å; R178-D191 IonicContact CZ-OD1 3.74Å; R178-D191 IonicContact NE-OD1 3.8Å; R178-D191 IonicContact NH2-OD1 2.84Å; R178-D191 PolarHBondContact NH2-OD1 3.05Å
179L67.3Low68Low106 Ų10657.7 Ų57.756%0.55532%0.322SS*.EExtended strand (participates in β ladder)trans-64.7125156.1-66.3174.4000107.2L69 W146 V147L69-L179 HydrophobicContact CD2-CD2 3.95Å; L69-L179 HydrophobicContact CD2-CG 4.09Å; W146-L179 VanDerWaalsContact O-CA 3.3Å; W146-L179 WeakPolarHBondContact O-CA 3.46Å; V147-L179 HydrophobicContact CG2-CD2 3.94Å
180F65.4Low65.5Low32 Ų3264.6 Ų64.614%0.1436%0.357CS..PPolyproline II helixtrans-93.6122.5166.166.1-80.6000107.9W146 L148 R178 L184 K213W146-F180 VanDerWaalsContact C-CD1 3.43Å; W146-F180 HydrophobicContact CB-CD1 4.23Å; W146-F180 HydrophobicContact CB-CE1 3.95Å; W146-F180 HydrophobicContact CB-CZ 4.15Å; W146-F180 AromaticContact CD2-CE2 3.91Å; W146-F180 HydrophobicContact CD2-CE2 3.91Å; W146-F180 AromaticContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CE3-CD1 4.5Å; W146-F180 AromaticContact CE3-CD2 3.42Å; W146-F180 HydrophobicContact CE3-CD2 3.42Å; W146-F180 VanDerWaalsContact CE3-CD2 3.42Å; W146-F180 HydrophobicContact CE3-CE1 4.18Å; W146-F180 AromaticContact CE3-CE2 2.96Å; W146-F180 HydrophobicContact CE3-CE2 2.96Å; W146-F180 HydrophobicContact CE3-CG 4.17Å; W146-F180 AromaticContact CE3-CZ 3.35Å; W146-F180 HydrophobicContact CE3-CZ 3.35Å; W146-F180 HydrophobicContact CG-CE1 4.5Å; W146-F180 HydrophobicContact CG-CZ 4.22Å; W146-F180 HydrophobicContact CH2-CE2 4.28Å; W146-F180 AromaticContact CZ3-CD2 3.76Å; W146-F180 HydrophobicContact CZ3-CD2 3.76Å; W146-F180 AromaticContact CZ3-CE2 3.2Å; W146-F180 HydrophobicContact CZ3-CE2 3.2Å; W146-F180 AromaticContact CZ3-CZ 3.93Å; W146-F180 HydrophobicContact CZ3-CZ 3.93Å; W146-F180 WeakPolarHBondContact O-CD1 3.39Å; W146-F180 WeakPolarHBondContact O-CE1 3.5Å; W146-F180 PolarHBondContact O-N 3.41Å; L148-F180 HydrophobicContact CD1-CB 4.29Å; L148-F180 HydrophobicContact CD1-CD1 4.19Å; L148-F180 HydrophobicContact CD1-CG 4.44Å; L148-F180 HydrophobicContact CD2-CD1 3.9Å; L148-F180 HydrophobicContact CD2-CE1 3.93Å; L148-F180 HydrophobicContact CG-CD1 3.64Å; L148-F180 HydrophobicContact CG-CE1 4.18Å; L148-F180 HydrophobicContact CG-CG 4.37Å; R178-F180 PolarHBondContact O-N 2.87Å; F180-L184 HydrophobicContact CB-CD2 4.16Å; F180-L184 HydrophobicContact CD2-CD2 4.37Å; F180-K213 HydrophobicContact CZ-CD 4.49Å
181N56.8Low63.3Low97 Ų9766 Ų6652%0.51937%0.366SS..PPolyproline II helixtrans-96.3154.6170.6-69.821.6000108.2P183 L184N181-P183 CarbonylContact O-C 3.54Å; N181-L184 PolarHBondContact O-N 3.2Å
182S40.2Very low61.1Low113 Ų11368.2 Ų68.279%0.7938%0.38SS*.SBendtrans-88.9121.7161-171.50000108
183P52.3Low59.1Low109 Ų10972.5 Ų72.571%0.70841%0.405SS*.SBendcis-81.2153.91.733.1-34.5000113.5N181 K185N181-P183 CarbonylContact O-C 3.54Å; P183-K185 PolarHBondContact O-N 2.95Å
184L56.1Low57.9Low80 Ų8073.4 Ų73.442%0.41941%0.411SS..PPolyproline II helixtrans-57.5119.1178.9-67.3170.9000110.2F180 N181 H210F180-L184 HydrophobicContact CB-CD2 4.16Å; F180-L184 HydrophobicContact CD2-CD2 4.37Å; N181-L184 PolarHBondContact O-N 3.2Å; L184-H210 HydrophobicContact CB-CB 4.44Å; L184-H210 HydrophobicContact CD1-CB 4.28Å; L184-H210 PolarHBondContact O-CE1 3.16Å
185K52.5Low57Low164 Ų16476.7 Ų76.771%0.71343%0.431SS*.PPolyproline II helixtrans-72139174.6-69.1-173.7177.3-178.80109.8P183 H210P183-K185 PolarHBondContact O-N 2.95Å; K185-H210 PolarHBondContact O-ND1 3.02Å
186P54.8Low57.1Low88 Ų8878.4 Ų78.457%0.57144%0.441SS*.PPolyproline II helixtrans-56.8151.6168.7-20.931.6000110.9A188P186-A188 PolarHBondContact O-N 3.18Å
187L55.3Low57.7Low66 Ų6679.3 Ų79.335%0.34645%0.445SS..  trans-42.3122.5161.8-82.7156.6000109.3R209 Y211L187-R209 HydrophobicContact CD1-CB 4.47Å; L187-R209 VanDerWaalsContact CG-O 3.29Å; L187-R209 WeakPolarHBondContact CG-O 3.35Å; L187-R209 PolarHBondContact N-O 2.93Å; L187-Y211 HydrophobicContact CD2-CD2 4.13Å; L187-Y211 HydrophobicContact CD2-CE2 3.46Å; L187-Y211 VanDerWaalsContact CD2-CE2 3.46Å; L187-Y211 HydrophobicContact CG-CE2 4.37Å
188A50.5Low58.8Low57 Ų5781.7 Ų81.747%0.47145%0.453SS..  trans-78.7144.3158.800000107.3P186 L190P186-A188 PolarHBondContact O-N 3.18Å; A188-L190 HydrophobicContact CB-CB 4.32Å; A188-L190 HydrophobicContact CB-CD1 4.15Å; A188-L190 HydrophobicContact CB-CG 4.46Å; A188-L190 PolarHBondContact O-N 3.28Å
189D49.1Very low59.9Low174 Ų17479 Ų7993%0.9344%0.444SS*.THydrogen-bonded Turntrans-61.117.3177-59.7-49.5000114.6
190L46.8Very low61.1Low144 Ų14476.5 Ų76.575%0.75443%0.427SS*.THydrogen-bonded Turntrans-111.94.4-164.9-71.2165.3000113.7A188A188-L190 HydrophobicContact CB-CB 4.32Å; A188-L190 HydrophobicContact CB-CD1 4.15Å; A188-L190 HydrophobicContact CB-CG 4.46Å; A188-L190 PolarHBondContact O-N 3.28Å
191D52.5Low62.5Low41 Ų4175 Ų7522%0.21942%0.42CS..SBendtrans-78.9131.5175.1-69.6-54.7000110.2R150 R178R150-D191 IonicContact CZ-OD1 2.73Å; R150-D191 IonicContact CZ-OD2 3.7Å; R150-D191 IonicContact NH1-OD1 2.82Å; R150-D191 PolarHBondContact NH1-OD1 3.38Å; R150-D191 IonicContact NH1-OD2 3.12Å; R150-D191 IonicContact NH2-OD1 2.68Å; R150-D191 PolarHBondContact NH2-OD1 3.39Å; R150-D191 IonicContact NH2-OD2 2.75Å; R150-D191 PolarHBondContact NH2-OD2 3.1Å; R178-D191 IonicContact CZ-OD1 3.74Å; R178-D191 IonicContact NE-OD1 3.8Å; R178-D191 IonicContact NH2-OD1 2.84Å; R178-D191 PolarHBondContact NH2-OD1 3.05Å
192P51.4Low64.4Low46 Ų4670.4 Ų70.430%0.29940%0.396SS..  trans-53.1144178.5-23.128.5000111.9F176 V194F176-P192 HydrophobicContact CE1-CB 3.89Å; F176-P192 HydrophobicContact CE1-CG 3.73Å; F176-P192 HydrophobicContact CZ-CB 3.88Å; F176-P192 HydrophobicContact CZ-CG 3.78Å; P192-V194 PolarHBondContact O-N 3.31Å
193V52.5Low67Low102 Ų10265.3 Ų65.362%0.61836%0.359SS*.  trans-57.7110175.1179.60000109I241V193-I241 HydrophobicContact CG1-CG2 3.93Å
194V60.4Low68.9Low37 Ų3760.3 Ų60.322%0.22433%0.327CS..  trans-77.5126.7176.4-179.90000108.3F176 P192 F197F176-V194 HydrophobicContact CE1-CG2 4.11Å; P192-V194 PolarHBondContact O-N 3.31Å; V194-F197 HydrophobicContact CB-CE1 4.36Å; V194-F197 VanDerWaalsContact O-CE1 3.28Å; V194-F197 WeakPolarHBondContact O-CE1 3.16Å; V194-F197 WeakPolarHBondContact O-CZ 3.37Å
195V57.6Low70.6Confident69 Ų6956.5 Ų56.542%0.41831%0.307SS..SBendtrans-89.9-13.1-172.1-1770000112.8I241V195-I241 HydrophobicContact CB-CD1 4.35Å; V195-I241 HydrophobicContact CG1-CD1 3.67Å; V195-I241 WeakPolarHBondContact O-CD1 3.37Å
196T67.9Low72.5Confident40 Ų4048.8 Ų48.825%0.24527%0.273CS..  trans-131.4114.4-176.8-55.50000111.4W198 Y199T196-W198 HydrophobicContact CG2-CB 4.21Å; T196-W198 HydrophobicContact CG2-CD2 3.64Å; T196-W198 HydrophobicContact CG2-CE3 3.94Å; T196-W198 HydrophobicContact CG2-CG 3.77Å; T196-Y199 HydrophobicContact CG2-CE2 4.44Å
197F82.3Confident74.2Confident23 Ų2345 Ų4510%0.10125%0.25CS..  trans-97.12.6-176-54.9-60.6000114.5V194 Y199 R200 I241 H248 Q251V194-F197 HydrophobicContact CB-CE1 4.36Å; V194-F197 VanDerWaalsContact O-CE1 3.28Å; V194-F197 WeakPolarHBondContact O-CE1 3.16Å; V194-F197 WeakPolarHBondContact O-CZ 3.37Å; F197-Y199 PolarHBondContact O-N 2.97Å; F197-R200 HydrophobicContact CB-CB 4.31Å; F197-R200 VanDerWaalsContact CE1-NH1 3.26Å; F197-R200 VanDerWaalsContact O-CB 3.29Å; F197-R200 WeakPolarHBondContact O-CB 3.41Å; F197-R200 PolarHBondContact O-N 2.98Å; F197-I241 HydrophobicContact CE2-CG1 4.3Å; F197-I241 HydrophobicContact CE2-CG2 4.29Å; F197-I241 HydrophobicContact CZ-CG2 4.27Å; F197-H248 AromaticContact CD2-CD2 3.85Å; F197-H248 AromaticContact CD2-NE2 3.97Å; F197-H248 AromaticContact CE1-NE2 3.5Å; F197-H248 WeakPolarHBondContact CE1-NE2 3.49Å; F197-H248 AromaticContact CE2-CD2 3.78Å; F197-H248 AromaticContact CE2-CE1 3.46Å; F197-H248 VanDerWaalsContact CE2-CE1 3.46Å; F197-H248 WeakPolarHBondContact CE2-CE1 3.43Å; F197-H248 AromaticContact CE2-CG 4Å; F197-H248 AromaticContact CE2-ND1 3.8Å; F197-H248 AromaticContact CE2-NE2 3.42Å; F197-H248 WeakPolarHBondContact CE2-NE2 3.4Å; F197-H248 AromaticContact CG-CD2 4Å; F197-H248 AromaticContact CZ-CD2 3.86Å; F197-H248 AromaticContact CZ-CE1 3.49Å; F197-H248 VanDerWaalsContact CZ-CE1 3.49Å; F197-H248 WeakPolarHBondContact CZ-CE1 3.3Å; F197-H248 AromaticContact CZ-NE2 3.15Å; F197-H248 WeakPolarHBondContact CZ-NE2 3.33Å; F197-Q251 HydrophobicContact CB-CG 3.91Å
198W91.8Very high75.7Confident49 Ų4942.7 Ų42.719%0.18624%0.241CC..THydrogen-bonded Turntrans-60.2-22.2-175.4-53.3-18.7000114.3T196 P232 H235 C236T196-W198 HydrophobicContact CG2-CB 4.21Å; T196-W198 HydrophobicContact CG2-CD2 3.64Å; T196-W198 HydrophobicContact CG2-CE3 3.94Å; T196-W198 HydrophobicContact CG2-CG 3.77Å; W198-P232 HydrophobicContact CE3-CB 3.97Å; W198-P232 HydrophobicContact CE3-CG 4.09Å; W198-P232 HydrophobicContact CZ3-CB 4.46Å; W198-P232 HydrophobicContact CZ3-CG 4.06Å; W198-H235 AromaticContact CE2-CD2 3.9Å; W198-H235 AromaticContact CH2-CD2 3.64Å; W198-H235 AromaticContact CZ2-CD2 3.45Å; W198-H235 VanDerWaalsContact CZ2-CD2 3.45Å; W198-H235 WeakPolarHBondContact CZ2-CD2 3.29Å; W198-H235 AromaticContact CZ2-NE2 3.79Å; W198-C236 PolarHBondContact NE1-O 3.12Å
199Y94.3Very high77.2Confident23 Ų2348 Ų489%0.0925%0.249CC..THydrogen-bonded Turntrans-108.84.1179.4-47.5-85000112.4L152 K153 P154 T196 F197 C222 I223 E226L152-Y199 WeakPolarHBondContact O-CB 3.45Å; K153-Y199 HydrophobicContact CB-CD2 3.67Å; K153-Y199 HydrophobicContact CB-CE2 3.79Å; K153-Y199 HydrophobicContact CB-CG 4.15Å; P154-Y199 WeakPolarHBondContact CD-OH 3.42Å; P154-Y199 HydrophobicContact CG-CE1 3.93Å; P154-Y199 WeakPolarHBondContact CG-OH 3.41Å; T196-Y199 HydrophobicContact CG2-CE2 4.44Å; F197-Y199 PolarHBondContact O-N 2.97Å; Y199-C222 HydrophobicContact CD1-CB 3.64Å; Y199-C222 HydrophobicContact CE1-CB 4.3Å; Y199-I223 HydrophobicContact CD1-CG1 4.16Å; Y199-I223 HydrophobicContact CE1-CG1 4.2Å; Y199-E226 PolarHBondContact OH-OE2 2.98Å
200R91.9Very high78.6Confident52 Ų5243 Ų4320%0.19622%0.22CC..  trans-80.2132.2-177.8-167.5165.7-176.5-171.2-0.2109.8F197 L204 L205 W218F197-R200 HydrophobicContact CB-CB 4.31Å; F197-R200 VanDerWaalsContact CE1-NH1 3.26Å; F197-R200 VanDerWaalsContact O-CB 3.29Å; F197-R200 WeakPolarHBondContact O-CB 3.41Å; F197-R200 PolarHBondContact O-N 2.98Å; R200-L204 HydrophobicContact CG-CB 3.75Å; R200-L204 HydrophobicContact CG-CD1 3.76Å; R200-L204 HydrophobicContact CG-CG 4.45Å; R200-L205 HydrophobicContact CB-CD2 4.35Å; R200-L205 HydrophobicContact CG-CD2 4.08Å; R200-L205 HydrophobicContact CG-CG 4.38Å; R200-W218 PolarHBondContact O-NE1 2.82Å; R200-W218 VanDerWaalsContact O-NE1 3.16Å
201A95.6Very high80.1Confident0 Ų038 Ų380%019%0.191CC..  trans-69.3148179.900000111.9E203 L204 L205 I215 W218A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 HydrophobicContact CB-CG 4.34Å; A201-E203 VanDerWaalsContact CB-OE1 3.27Å; A201-E203 WeakPolarHBondContact CB-OE1 3.13Å; A201-E203 VanDerWaalsContact CB-OE2 3.31Å; A201-E203 WeakPolarHBondContact CB-OE2 3.34Å; A201-E203 PolarHBondContact O-N 3.44Å; A201-L204 WeakPolarHBondContact O-CB 3.34Å; A201-L204 PolarHBondContact O-N 2.75Å; A201-L205 PolarHBondContact O-N 3.31Å; A201-I215 HydrophobicContact CB-CB 4.45Å; A201-I215 HydrophobicContact CB-CG1 4.14Å; A201-I215 HydrophobicContact CB-CG2 4.36Å; A201-W218 HydrophobicContact CB-CB 3.8Å; A201-W218 HydrophobicContact CB-CD2 4.33Å; A201-W218 HydrophobicContact CB-CG 3.7Å
202P96.6Very high81.9Confident1 Ų138.2 Ų38.21%0.00619%0.194CC..Hα-helixtrans-60.5-34-175.324.5-34.6000112.7L204 L205 L206 W218 W267P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.85Å; P202-L205 CarbonylContact O-C 3.2Å; P202-L205 WeakPolarHBondContact O-CB 3.31Å; P202-L205 PolarHBondContact O-N 3.48Å; P202-L205 VanDerWaalsContact O-N 3.09Å; P202-L206 WeakPolarHBondContact O-CG 3.18Å; P202-L206 PolarHBondContact O-N 3.49Å; P202-W218 HydrophobicContact CG-CH2 4.15Å; P202-W218 HydrophobicContact CG-CZ2 4.39Å; P202-W218 HydrophobicContact CG-CZ3 4.22Å; P202-W267 HydrophobicContact CB-CH2 4.22Å; P202-W267 HydrophobicContact CB-CZ3 4.07Å; P202-W267 HydrophobicContact CG-CH2 4.31Å; P202-W267 HydrophobicContact CG-CZ3 4.18Å
203E95.3Very high83.9Confident6 Ų640 Ų403%0.02820%0.197CC..Hα-helixtrans-60.6-34.6176.162.9-86.7-158.800112.6A201 L206 G207 A208 I215 W267 M273 P320 R323A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 HydrophobicContact CB-CG 4.34Å; A201-E203 VanDerWaalsContact CB-OE1 3.27Å; A201-E203 WeakPolarHBondContact CB-OE1 3.13Å; A201-E203 VanDerWaalsContact CB-OE2 3.31Å; A201-E203 WeakPolarHBondContact CB-OE2 3.34Å; A201-E203 PolarHBondContact O-N 3.44Å; E203-L206 CarbonylContact O-C 3.51Å; E203-L206 PolarHBondContact O-N 2.92Å; E203-G207 PolarHBondContact O-N 3.24Å; E203-A208 HydrophobicContact CB-CB 4.06Å; E203-A208 HydrophobicContact CG-CB 4.35Å; E203-A208 WeakPolarHBondContact O-CB 3.4Å; E203-A208 PolarHBondContact O-N 3.35Å; E203-I215 HydrophobicContact CG-CG1 4.42Å; E203-I215 WeakPolarHBondContact OE1-CG1 3.43Å; E203-W267 HydrophobicContact CB-CH2 4.06Å; E203-W267 HydrophobicContact CB-CZ2 3.98Å; E203-M273 HydrophobicContact CB-SD 4.33Å; E203-P320 HydrophobicContact CB-CG 4.38Å; E203-P320 HydrophobicContact CG-CB 4.47Å; E203-P320 HydrophobicContact CG-CG 4.3Å; E203-R323 IonicContact OE1-CZ 2.89Å; E203-R323 IonicContact OE1-NH1 2.86Å; E203-R323 PolarHBondContact OE1-NH1 3.44Å; E203-R323 IonicContact OE1-NH2 2.69Å; E203-R323 PolarHBondContact OE1-NH2 2.77Å; E203-R323 IonicContact OE2-CZ 2.98Å; E203-R323 IonicContact OE2-NH1 3.56Å; E203-R323 IonicContact OE2-NH2 2.74Å; E203-R323 PolarHBondContact OE2-NH2 2.76Å
204L91.5Very high86Confident5 Ų535.9 Ų35.93%0.02617%0.173CC..Hα-helixtrans-72.6-32.7175.4-73.5178.1000112.4R200 A201 P202 G207 Y211 I215R200-L204 HydrophobicContact CG-CB 3.75Å; R200-L204 HydrophobicContact CG-CD1 3.76Å; R200-L204 HydrophobicContact CG-CG 4.45Å; A201-L204 WeakPolarHBondContact O-CB 3.34Å; A201-L204 PolarHBondContact O-N 2.75Å; P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.85Å; L204-G207 PolarHBondContact O-N 2.99Å; L204-Y211 HydrophobicContact CD1-CD1 4.35Å; L204-Y211 HydrophobicContact CD1-CE1 3.74Å; L204-Y211 HydrophobicContact CD2-CD1 4.48Å; L204-Y211 HydrophobicContact CD2-CE1 4.18Å; L204-I215 HydrophobicContact CD1-CD1 3.89Å; L204-I215 HydrophobicContact CD1-CG1 4.24Å; L204-I215 HydrophobicContact CD1-CG2 3.65Å; L204-I215 HydrophobicContact CD2-CD1 3.79Å; L204-I215 HydrophobicContact CG-CD1 3.72Å; L204-I215 HydrophobicContact CG-CG1 4.21Å
205L91.8Very high87.6Confident0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-71.6-21.6173.7-58.2174.6000111.5R200 A201 P202 G207 P246 Y247 H248 Q251 L252 I255R200-L205 HydrophobicContact CB-CD2 4.35Å; R200-L205 HydrophobicContact CG-CD2 4.08Å; R200-L205 HydrophobicContact CG-CG 4.38Å; A201-L205 PolarHBondContact O-N 3.31Å; P202-L205 CarbonylContact O-C 3.2Å; P202-L205 WeakPolarHBondContact O-CB 3.31Å; P202-L205 PolarHBondContact O-N 3.48Å; P202-L205 VanDerWaalsContact O-N 3.09Å; L205-G207 VanDerWaalsContact C-N 3.34Å; L205-P246 WeakPolarHBondContact CA-O 3.47Å; L205-Y247 WeakPolarHBondContact O-CA 3.33Å; L205-H248 HydrophobicContact CD2-CB 4.3Å; L205-Q251 HydrophobicContact CD1-CB 4.31Å; L205-Q251 HydrophobicContact CD1-CG 3.7Å; L205-Q251 HydrophobicContact CD2-CG 4.24Å; L205-L252 HydrophobicContact CB-CD1 4.3Å; L205-L252 HydrophobicContact CB-CD2 3.87Å; L205-L252 HydrophobicContact CB-CG 3.97Å; L205-L252 HydrophobicContact CD1-CD2 3.95Å; L205-L252 HydrophobicContact CD1-CG 4.09Å; L205-I255 HydrophobicContact CD1-CD1 3.57Å
206L93.6Very high89.5Confident1 Ų131.2 Ų31.21%0.00515%0.145CC..THydrogen-bonded Turntrans-94.713.4174.4-62.5176.5000113.4P202 E203 Y247 L252 W267 I270 M273 P274 E275 L279P202-L206 WeakPolarHBondContact O-CG 3.18Å; P202-L206 PolarHBondContact O-N 3.49Å; E203-L206 CarbonylContact O-C 3.51Å; E203-L206 PolarHBondContact O-N 2.92Å; L206-Y247 HydrophobicContact CD2-CE2 4.34Å; L206-L252 HydrophobicContact CD2-CD1 3.93Å; L206-L252 HydrophobicContact CD2-CD2 4.39Å; L206-W267 HydrophobicContact CD1-CH2 3.67Å; L206-W267 HydrophobicContact CD1-CZ3 3.89Å; L206-I270 HydrophobicContact CD1-CD1 4.26Å; L206-I270 HydrophobicContact CD1-CG1 3.99Å; L206-M273 HydrophobicContact CB-CB 3.82Å; L206-M273 HydrophobicContact CB-CG 3.98Å; L206-M273 HydrophobicContact CB-SD 4.49Å; L206-M273 HydrophobicContact CD1-CB 4.48Å; L206-M273 HydrophobicContact CD1-CG 4.18Å; L206-P274 WeakPolarHBondContact O-CD 3.42Å; L206-E275 HydrophobicContact CD2-CB 4.45Å; L206-E275 WeakPolarHBondContact O-CB 3.27Å; L206-E275 PolarHBondContact O-N 3.37Å; L206-E275 VanDerWaalsContact O-N 3.08Å; L206-L279 HydrophobicContact CD1-CD2 4.25Å; L206-L279 HydrophobicContact CD2-CB 4.06Å; L206-L279 HydrophobicContact CD2-CD1 4.13Å; L206-L279 HydrophobicContact CD2-CD2 4.03Å; L206-L279 HydrophobicContact CD2-CG 4.29Å
207G89.1Confident90.9Very high9 Ų929.4 Ų29.49%0.09313%0.134CC..THydrogen-bonded Turntrans85.616172.100000115.4E203 L204 L205 R209 P274E203-G207 PolarHBondContact O-N 3.24Å; L204-G207 PolarHBondContact O-N 2.99Å; L205-G207 VanDerWaalsContact C-N 3.34Å; G207-R209 PolarHBondContact O-N 3.28Å; G207-P274 WeakPolarHBondContact O-CG 3.4Å
208A88.2Confident91.7Very high18 Ų1828.3 Ų28.315%0.14913%0.129CC..  trans-53.2129.4174.400000111.1E203 M273E203-A208 HydrophobicContact CB-CB 4.06Å; E203-A208 HydrophobicContact CG-CB 4.35Å; E203-A208 WeakPolarHBondContact O-CB 3.4Å; E203-A208 PolarHBondContact O-N 3.35Å; A208-M273 HydrophobicContact CB-SD 4.3Å
209R80.6Confident92Very high169 Ų16926.1 Ų26.164%0.63812%0.122SC*.  trans-89.9-3.9-171.9-64.8-173.1179.2-175.7-0.9115.1L187 G207L187-R209 HydrophobicContact CD1-CB 4.47Å; L187-R209 VanDerWaalsContact CG-O 3.29Å; L187-R209 WeakPolarHBondContact CG-O 3.35Å; L187-R209 PolarHBondContact N-O 2.93Å; G207-R209 PolarHBondContact O-N 3.28Å
210H79.4Confident92.2Very high69 Ų6925 Ų2532%0.31912%0.117SC..SBendtrans-127.1131.5-174.9-59.3-65.7000110.1L184 K185L184-H210 HydrophobicContact CB-CB 4.44Å; L184-H210 HydrophobicContact CD1-CB 4.28Å; L184-H210 PolarHBondContact O-CE1 3.16Å; K185-H210 PolarHBondContact O-ND1 3.02Å
211Y78.5Confident92.6Very high38 Ų3822.6 Ų22.615%0.14911%0.108CC..  trans-75.5139.4165.9-75.1-92.1000110.2L148 R150 L187 L204 I215L148-Y211 WeakPolarHBondContact CD1-O 3.35Å; R150-Y211 HydrophobicContact CB-CD1 3.93Å; R150-Y211 HydrophobicContact CB-CE1 3.86Å; R150-Y211 HydrophobicContact CG-CD1 3.6Å; R150-Y211 HydrophobicContact CG-CE1 4.04Å; R150-Y211 HydrophobicContact CG-CG 3.88Å; R150-Y211 VanDerWaalsContact NE-CG 3.29Å; R150-Y211 PolarHBondContact NH2-OH 3.08Å; L187-Y211 HydrophobicContact CD2-CD2 4.13Å; L187-Y211 HydrophobicContact CD2-CE2 3.46Å; L187-Y211 VanDerWaalsContact CD2-CE2 3.46Å; L187-Y211 HydrophobicContact CG-CE2 4.37Å; L204-Y211 HydrophobicContact CD1-CD1 4.35Å; L204-Y211 HydrophobicContact CD1-CE1 3.74Å; L204-Y211 HydrophobicContact CD2-CD1 4.48Å; L204-Y211 HydrophobicContact CD2-CE1 4.18Å; Y211-I215 HydrophobicContact CD1-CD1 3.67Å; Y211-I215 HydrophobicContact CD1-CG2 4.19Å; Y211-I215 HydrophobicContact CE1-CD1 4.41Å; Y211-I215 HydrophobicContact CE1-CG2 4.41Å; Y211-I215 HydrophobicContact CG-CD1 4.19Å
212T88.8Confident92.7Very high46 Ų4622.6 Ų22.628%0.28211%0.108SC..  trans-130.6163.4179.167.70000109.2A214 I215T212-A214 PolarHBondContact O-N 3.33Å; T212-A214 PolarHBondContact OG1-N 3.16Å; T212-I215 PolarHBondContact O-N 3.26Å
213K93.8Very high92.8Very high83 Ų8322.6 Ų22.636%0.36111%0.108SC..Hα-helixtrans-53.5-36.8171.1-65.6-177178.6-172.60111.7H143 L148 F180 I215 D216 I217H143-K213 HydrophobicContact CB-CD 3.92Å; H143-K213 HydrophobicContact CB-CG 4.28Å; H143-K213 PolarHBondContact CE1-O 3.11Å; H143-K213 VanDerWaalsContact O-CE 3.25Å; H143-K213 WeakPolarHBondContact O-CE 3.26Å; H143-K213 PolarHBondContact O-NZ 3.4Å; L148-K213 HydrophobicContact CD2-CB 4.38Å; L148-K213 HydrophobicContact CD2-CG 3.78Å; F180-K213 HydrophobicContact CZ-CD 4.49Å; K213-I215 PolarHBondContact O-N 3.23Å; K213-D216 PolarHBondContact O-N 2.89Å; K213-D216 VanDerWaalsContact O-N 3.16Å; K213-I217 WeakPolarHBondContact O-CG1 3.34Å; K213-I217 PolarHBondContact O-N 3.31Å
214A96.3Very high93Very high15 Ų1522.3 Ų22.312%0.12411%0.107CC..Hα-helixtrans-60.3-30.1-177.900000113T212 I217 W218 P320 R323T212-A214 PolarHBondContact O-N 3.33Å; T212-A214 PolarHBondContact OG1-N 3.16Å; A214-I217 PolarHBondContact O-N 3.12Å; A214-W218 PolarHBondContact O-N 2.93Å; A214-P320 HydrophobicContact CB-CB 3.94Å; A214-P320 WeakPolarHBondContact CB-O 3.19Å; A214-R323 VanDerWaalsContact O-CD 3.3Å; A214-R323 WeakPolarHBondContact O-CD 3.28Å; A214-R323 PolarHBondContact O-NH1 2.95Å
215I94.7Very high93.3Very high6 Ų622.1 Ų22.13%0.03111%0.106CC..Hα-helixtrans-65.9-43.5177.9-67.8164.5000110.9A201 E203 L204 Y211 T212 K213 I217 W218 A219A201-I215 HydrophobicContact CB-CB 4.45Å; A201-I215 HydrophobicContact CB-CG1 4.14Å; A201-I215 HydrophobicContact CB-CG2 4.36Å; E203-I215 HydrophobicContact CG-CG1 4.42Å; E203-I215 WeakPolarHBondContact OE1-CG1 3.43Å; L204-I215 HydrophobicContact CD1-CD1 3.89Å; L204-I215 HydrophobicContact CD1-CG1 4.24Å; L204-I215 HydrophobicContact CD1-CG2 3.65Å; L204-I215 HydrophobicContact CD2-CD1 3.79Å; L204-I215 HydrophobicContact CG-CD1 3.72Å; L204-I215 HydrophobicContact CG-CG1 4.21Å; Y211-I215 HydrophobicContact CD1-CD1 3.67Å; Y211-I215 HydrophobicContact CD1-CG2 4.19Å; Y211-I215 HydrophobicContact CE1-CD1 4.41Å; Y211-I215 HydrophobicContact CE1-CG2 4.41Å; Y211-I215 HydrophobicContact CG-CD1 4.19Å; T212-I215 PolarHBondContact O-N 3.26Å; K213-I215 PolarHBondContact O-N 3.23Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 2.98Å; I215-W218 PolarHBondContact O-N 3.05Å; I215-A219 PolarHBondContact O-N 3.08Å; I215-A219 VanDerWaalsContact O-N 3.16Å
216D96.8Very high93.6Very high2 Ų222.4 Ų22.41%0.01111%0.107CC..Hα-helixtrans-63.2-39175.2-69.8-26.2000110.4I139 H143 H149 R150 L152 K213 W218 A219 I220I139-D216 HydrophobicContact CD1-CB 4.12Å; I139-D216 HydrophobicContact CG1-CB 4.08Å; H143-D216 IonicContact CD2-OD2 3.76Å; H143-D216 IonicContact CE1-OD2 3.66Å; H143-D216 IonicContact NE2-OD2 3.66Å; H143-D216 PolarHBondContact NE2-OD2 3.28Å; H149-D216 PolarHBondContact N-OD2 2.86Å; R150-D216 PolarHBondContact N-OD1 3.19Å; L152-D216 HydrophobicContact CD1-CB 3.81Å; K213-D216 PolarHBondContact O-N 2.89Å; K213-D216 VanDerWaalsContact O-N 3.16Å; D216-W218 PolarHBondContact O-N 3.33Å; D216-A219 PolarHBondContact O-N 2.98Å; D216-I220 WeakPolarHBondContact O-CG1 3.47Å; D216-I220 PolarHBondContact O-N 2.96Å
217I98.8Very high93.9Very high2 Ų222.5 Ų22.51%0.0111%0.108CC..Hα-helixtrans-63.3-40.9176.7-58.2-53.8000112.2K213 A214 I215 A219 I220 G221 L315 R323 I324K213-I217 WeakPolarHBondContact O-CG1 3.34Å; K213-I217 PolarHBondContact O-N 3.31Å; A214-I217 PolarHBondContact O-N 3.12Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 2.98Å; I217-A219 VanDerWaalsContact C-N 3.34Å; I217-A219 PolarHBondContact O-N 3.33Å; I217-I220 HydrophobicContact CD1-CD1 4.42Å; I217-I220 PolarHBondContact O-N 3.49Å; I217-G221 PolarHBondContact O-N 2.95Å; I217-L315 HydrophobicContact CG2-CB 4.48Å; I217-L315 HydrophobicContact CG2-CD2 3.48Å; I217-L315 VanDerWaalsContact CG2-CD2 3.48Å; I217-R323 HydrophobicContact CB-CG 4.44Å; I217-R323 HydrophobicContact CG2-CG 3.96Å; I217-I324 HydrophobicContact CG2-CG2 4.43Å; I217-I324 WeakPolarHBondContact CG2-O 3.21Å
218W98.7Very high94.2Very high0 Ų023.6 Ų23.60%011%0.111CC..Hα-helixtrans-59.6-46.9174.9175.5-87.5000111.2R200 A201 P202 A214 I215 D216 I220 G221 C222 F234 I255 L316 M318R200-W218 PolarHBondContact O-NE1 2.82Å; R200-W218 VanDerWaalsContact O-NE1 3.16Å; A201-W218 HydrophobicContact CB-CB 3.8Å; A201-W218 HydrophobicContact CB-CD2 4.33Å; A201-W218 HydrophobicContact CB-CG 3.7Å; P202-W218 HydrophobicContact CG-CH2 4.15Å; P202-W218 HydrophobicContact CG-CZ2 4.39Å; P202-W218 HydrophobicContact CG-CZ3 4.22Å; A214-W218 PolarHBondContact O-N 2.93Å; I215-W218 PolarHBondContact O-N 3.05Å; D216-W218 PolarHBondContact O-N 3.33Å; W218-I220 VanDerWaalsContact C-N 3.28Å; W218-I220 PolarHBondContact O-N 3.1Å; W218-G221 WeakPolarHBondContact O-CA 3.33Å; W218-G221 PolarHBondContact O-N 3.36Å; W218-C222 PolarHBondContact O-N 2.73Å; W218-C222 PolarHBondContact O-SG 2.68Å; W218-C222 VanDerWaalsContact O-SG 3.4Å; W218-F234 AromaticContact CE2-CE2 3.79Å; W218-F234 HydrophobicContact CH2-CE2 4.02Å; W218-F234 AromaticContact CH2-CZ 3.94Å; W218-F234 HydrophobicContact CH2-CZ 3.94Å; W218-F234 HydrophobicContact CZ2-CD2 4.02Å; W218-F234 AromaticContact CZ2-CE2 3.28Å; W218-F234 HydrophobicContact CZ2-CE2 3.28Å; W218-F234 AromaticContact CZ2-CZ 3.63Å; W218-F234 HydrophobicContact CZ2-CZ 3.63Å; W218-I255 HydrophobicContact CH2-CG2 4.27Å; W218-I255 HydrophobicContact CZ2-CD1 4.28Å; W218-I255 HydrophobicContact CZ2-CG1 4.46Å; W218-I255 HydrophobicContact CZ2-CG2 4.36Å; W218-L316 HydrophobicContact CD2-CD2 3.98Å; W218-L316 HydrophobicContact CE3-CD2 3.99Å; W218-L316 HydrophobicContact CH2-CD2 4.42Å; W218-L316 HydrophobicContact CZ2-CD2 4.41Å; W218-L316 HydrophobicContact CZ3-CB 4.34Å; W218-L316 HydrophobicContact CZ3-CD2 4.22Å; W218-L316 WeakPolarHBondContact CZ3-O 3.5Å; W218-M318 HydrophobicContact CH2-CG 4.44Å; W218-M318 HydrophobicContact CZ3-CG 4.4Å
219A98.2Very high94.6Very high4 Ų423.1 Ų23.13%0.03311%0.106CC..Hα-helixtrans-59.7-38.6177.100000112.1L152 I215 D216 I217 C222 I223L152-A219 HydrophobicContact CB-CB 3.76Å; I215-A219 PolarHBondContact O-N 3.08Å; I215-A219 VanDerWaalsContact O-N 3.16Å; D216-A219 PolarHBondContact O-N 2.98Å; I217-A219 VanDerWaalsContact C-N 3.34Å; I217-A219 PolarHBondContact O-N 3.33Å; A219-C222 WeakPolarHBondContact O-CB 3.34Å; A219-C222 PolarHBondContact O-N 2.97Å; A219-I223 WeakPolarHBondContact O-CG1 3.48Å; A219-I223 PolarHBondContact O-N 2.81Å
220I98.9Very high95.3Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-64.1-41.2173.2-67.5168.3000111.2L132 I135 L136 I139 L152 D216 I217 W218 C222 I223 F224L132-I220 HydrophobicContact CD1-CG2 3.62Å; I135-I220 HydrophobicContact CG2-CD1 3.97Å; I135-I220 HydrophobicContact CG2-CG1 3.82Å; I135-I220 HydrophobicContact CG2-CG2 4.3Å; L136-I220 HydrophobicContact CD2-CD1 4.34Å; L136-I220 HydrophobicContact CD2-CG2 4.06Å; L136-I220 HydrophobicContact CG-CG2 4.5Å; I139-I220 HydrophobicContact CB-CD1 3.99Å; I139-I220 HydrophobicContact CG1-CD1 4.15Å; I139-I220 HydrophobicContact CG2-CD1 3.41Å; I139-I220 VanDerWaalsContact CG2-CD1 3.41Å; L152-I220 HydrophobicContact CD1-CD1 4.01Å; L152-I220 HydrophobicContact CD1-CG1 3.82Å; D216-I220 WeakPolarHBondContact O-CG1 3.47Å; D216-I220 PolarHBondContact O-N 2.96Å; I217-I220 HydrophobicContact CD1-CD1 4.42Å; I217-I220 PolarHBondContact O-N 3.49Å; W218-I220 VanDerWaalsContact C-N 3.28Å; W218-I220 PolarHBondContact O-N 3.1Å; I220-C222 VanDerWaalsContact C-N 3.31Å; I220-C222 PolarHBondContact O-N 3.15Å; I220-I223 PolarHBondContact O-N 3.44Å; I220-F224 WeakPolarHBondContact O-CB 3.38Å; I220-F224 PolarHBondContact O-N 3.39Å
221G98.9Very high96Very high0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-57.6-42.8171.800000112.4I217 W218 F224 A225 L312I217-G221 PolarHBondContact O-N 2.95Å; W218-G221 WeakPolarHBondContact O-CA 3.33Å; W218-G221 PolarHBondContact O-N 3.36Å; G221-F224 PolarHBondContact O-N 3.16Å; G221-A225 PolarHBondContact O-N 2.92Å; G221-L312 WeakPolarHBondContact O-CD1 3.31Å
222C98.8Very high96.8Very high1 Ų113.8 Ų13.81%0.0077%0.073CC..Hα-helixtrans-62.1-46.4175-64.40000112.1Y199 W218 A219 I220 F224 A225 E226 I233 F234Y199-C222 HydrophobicContact CD1-CB 3.64Å; Y199-C222 HydrophobicContact CE1-CB 4.3Å; W218-C222 PolarHBondContact O-N 2.73Å; W218-C222 PolarHBondContact O-SG 2.68Å; W218-C222 VanDerWaalsContact O-SG 3.4Å; A219-C222 WeakPolarHBondContact O-CB 3.34Å; A219-C222 PolarHBondContact O-N 2.97Å; I220-C222 VanDerWaalsContact C-N 3.31Å; I220-C222 PolarHBondContact O-N 3.15Å; C222-F224 VanDerWaalsContact C-N 3.32Å; C222-F224 PolarHBondContact O-N 3.44Å; C222-A225 PolarHBondContact O-N 3.02Å; C222-E226 PolarHBondContact O-N 3.11Å; C222-I233 HydrophobicContact CB-CG2 4.2Å; C222-F234 WeakPolarHBondContact SG-CD2 3.31Å; C222-F234 WeakPolarHBondContact SG-CE2 3.15Å
223I98.8Very high97.2Very high1 Ų111.7 Ų11.71%0.0056%0.06CC..Hα-helixtrans-61.6-42.5177-67.3163.9000110.2L104 I135 L152 P154 I157 Y199 A219 I220 E226 L227L104-I223 HydrophobicContact CD1-CG2 3.77Å; I135-I223 HydrophobicContact CD1-CG2 4.25Å; L152-I223 HydrophobicContact CB-CD1 4.46Å; P154-I223 HydrophobicContact CG-CG1 4.28Å; I157-I223 HydrophobicContact CG1-CD1 4.17Å; Y199-I223 HydrophobicContact CD1-CG1 4.16Å; Y199-I223 HydrophobicContact CE1-CG1 4.2Å; A219-I223 WeakPolarHBondContact O-CG1 3.48Å; A219-I223 PolarHBondContact O-N 2.81Å; I220-I223 PolarHBondContact O-N 3.44Å; I223-E226 PolarHBondContact O-N 3.24Å; I223-L227 HydrophobicContact CG2-CD1 4.07Å; I223-L227 HydrophobicContact CG2-CG 4.34Å; I223-L227 WeakPolarHBondContact O-CG 3.44Å; I223-L227 PolarHBondContact O-N 2.74Å
224F98.9Very high97.4Very high0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-63.7-45.5179-176.4-150.4000112V128 L132 I220 G221 C222 E226 L227 L228 A308 L311 L312 L315 Y334V128-F224 HydrophobicContact CG1-CD2 4.02Å; V128-F224 HydrophobicContact CG1-CE2 3.78Å; L132-F224 HydrophobicContact CB-CD2 4.47Å; L132-F224 HydrophobicContact CD1-CB 4Å; L132-F224 HydrophobicContact CD1-CD2 4.48Å; L132-F224 HydrophobicContact CD1-CG 4.13Å; L132-F224 HydrophobicContact CD2-CD1 3.69Å; L132-F224 HydrophobicContact CD2-CD2 3.76Å; L132-F224 HydrophobicContact CD2-CE1 3.67Å; L132-F224 HydrophobicContact CD2-CE2 3.76Å; L132-F224 HydrophobicContact CD2-CG 3.73Å; L132-F224 HydrophobicContact CD2-CZ 3.71Å; L132-F224 HydrophobicContact CG-CD2 4.46Å; L132-F224 HydrophobicContact CG-CG 4.46Å; I220-F224 WeakPolarHBondContact O-CB 3.38Å; I220-F224 PolarHBondContact O-N 3.39Å; G221-F224 PolarHBondContact O-N 3.16Å; C222-F224 VanDerWaalsContact C-N 3.32Å; C222-F224 PolarHBondContact O-N 3.44Å; F224-E226 VanDerWaalsContact C-N 3.27Å; F224-E226 PolarHBondContact O-N 3.48Å; F224-L227 PolarHBondContact O-N 3.45Å; F224-L228 HydrophobicContact CD1-CD1 4.48Å; F224-L228 HydrophobicContact CD2-CD1 3.99Å; F224-L228 HydrophobicContact CD2-CG 4.01Å; F224-L228 HydrophobicContact CE1-CD1 4.26Å; F224-L228 HydrophobicContact CE2-CD1 3.73Å; F224-L228 HydrophobicContact CE2-CD2 3.97Å; F224-L228 HydrophobicContact CE2-CG 3.79Å; F224-L228 HydrophobicContact CG-CD1 4.36Å; F224-L228 HydrophobicContact CZ-CD1 3.88Å; F224-L228 HydrophobicContact CZ-CD2 4.49Å; F224-L228 HydrophobicContact CZ-CG 4.41Å; F224-L228 VanDerWaalsContact O-CG 3.3Å; F224-L228 WeakPolarHBondContact O-CG 3.36Å; F224-L228 PolarHBondContact O-N 3.15Å; F224-A308 VanDerWaalsContact CE1-O 3.31Å; F224-A308 WeakPolarHBondContact CE1-O 3.24Å; F224-A308 HydrophobicContact CZ-CB 4.11Å; F224-L311 HydrophobicContact CE1-CB 4.46Å; F224-L311 HydrophobicContact CE1-CD2 4.43Å; F224-L311 HydrophobicContact CE1-CG 4.38Å; F224-L312 HydrophobicContact CB-CD1 4.18Å; F224-L312 HydrophobicContact CD1-CB 3.85Å; F224-L312 HydrophobicContact CD1-CD1 3.76Å; F224-L312 HydrophobicContact CD1-CG 4.38Å; F224-L312 HydrophobicContact CE1-CB 3.87Å; F224-L312 HydrophobicContact CG-CD1 4.28Å; F224-L315 HydrophobicContact CD1-CD1 3.98Å; F224-Y334 HydrophobicContact CE2-CE1 4.3Å; F224-Y334 AromaticContact CZ-CE1 3.88Å; F224-Y334 HydrophobicContact CZ-CE1 3.88Å
225A98.6Very high97.2Very high0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-58.8-40.2173.100000112G221 C222 L228 T229 I233 L312G221-A225 PolarHBondContact O-N 2.92Å; C222-A225 PolarHBondContact O-N 3.02Å; A225-L228 PolarHBondContact O-N 2.79Å; A225-T229 WeakPolarHBondContact O-CB 3.34Å; A225-T229 VanDerWaalsContact O-CG2 3.32Å; A225-T229 WeakPolarHBondContact O-CG2 3.43Å; A225-T229 PolarHBondContact O-N 3.38Å; A225-T229 PolarHBondContact O-OG1 3.27Å; A225-I233 HydrophobicContact CB-CB 3.81Å; A225-I233 HydrophobicContact CB-CD1 3.68Å; A225-I233 HydrophobicContact CB-CG1 4.34Å; A225-I233 HydrophobicContact CB-CG2 3.87Å; A225-L312 HydrophobicContact CB-CD1 3.98Å; A225-L312 HydrophobicContact CB-CD2 4.06Å
226E98.2Very high96.7Very high7 Ų710.9 Ų10.93%0.0336%0.056CC..Hα-helixtrans-69.9-36.4178.4-171.5169.3-171.500112.7I108 R112 Y199 C222 I223 F224 L228 T229 S230 E231 P232I108-E226 HydrophobicContact CD1-CG 3.95Å; I108-E226 HydrophobicContact CG2-CG 3.82Å; R112-E226 IonicContact CZ-OE1 3.85Å; R112-E226 IonicContact NH2-OE1 3.27Å; R112-E226 PolarHBondContact NH2-OE1 2.95Å; Y199-E226 PolarHBondContact OH-OE2 2.98Å; C222-E226 PolarHBondContact O-N 3.11Å; I223-E226 PolarHBondContact O-N 3.24Å; F224-E226 VanDerWaalsContact C-N 3.27Å; F224-E226 PolarHBondContact O-N 3.48Å; E226-L228 VanDerWaalsContact C-N 3.32Å; E226-L228 PolarHBondContact O-N 3.01Å; E226-T229 PolarHBondContact O-N 2.83Å; E226-S230 WeakPolarHBondContact O-CA 3.3Å; E226-S230 PolarHBondContact O-N 2.71Å; E226-E231 WeakPolarHBondContact CA-O 3.49Å; E226-E231 WeakPolarHBondContact CG-O 3.47Å; E226-P232 WeakPolarHBondContact OE1-CG 3.4Å
227L98.2Very high95.5Very high3 Ų321 Ų212%0.0169%0.094CC..Hα-helixtrans-63.2-38.9172.3-72.3170.7000111.9L104 I108 L123 V128 L131 I223 F224L104-L227 HydrophobicContact CD1-CD1 4.27Å; L104-L227 HydrophobicContact CD1-CD2 4.23Å; L104-L227 HydrophobicContact CD2-CD2 4.11Å; I108-L227 HydrophobicContact CD1-CD2 4Å; I108-L227 HydrophobicContact CD1-CG 4.48Å; I108-L227 HydrophobicContact CG1-CD2 4Å; L123-L227 HydrophobicContact CD2-CD2 3.53Å; V128-L227 HydrophobicContact CG1-CB 3.85Å; V128-L227 HydrophobicContact CG1-CD1 4.5Å; V128-L227 HydrophobicContact CG2-CB 4.21Å; L131-L227 HydrophobicContact CB-CD1 4.2Å; L131-L227 HydrophobicContact CD1-CD1 4.31Å; L131-L227 HydrophobicContact CD1-CD2 3.9Å; I223-L227 HydrophobicContact CG2-CD1 4.07Å; I223-L227 HydrophobicContact CG2-CG 4.34Å; I223-L227 WeakPolarHBondContact O-CG 3.44Å; I223-L227 PolarHBondContact O-N 2.74Å; F224-L227 PolarHBondContact O-N 3.45Å
228L97.3Very high93.8Very high31 Ų3126 Ų2616%0.16212%0.117CC..Hα-helixtrans-70.5-32.9178.9-70.4169.5000113.1V128 F224 A225 E226 M297 V302 L312V128-L228 HydrophobicContact CG1-CD2 4.07Å; V128-L228 HydrophobicContact CG1-CG 4.39Å; F224-L228 HydrophobicContact CD1-CD1 4.48Å; F224-L228 HydrophobicContact CD2-CD1 3.99Å; F224-L228 HydrophobicContact CD2-CG 4.01Å; F224-L228 HydrophobicContact CE1-CD1 4.26Å; F224-L228 HydrophobicContact CE2-CD1 3.73Å; F224-L228 HydrophobicContact CE2-CD2 3.97Å; F224-L228 HydrophobicContact CE2-CG 3.79Å; F224-L228 HydrophobicContact CG-CD1 4.36Å; F224-L228 HydrophobicContact CZ-CD1 3.88Å; F224-L228 HydrophobicContact CZ-CD2 4.49Å; F224-L228 HydrophobicContact CZ-CG 4.41Å; F224-L228 VanDerWaalsContact O-CG 3.3Å; F224-L228 WeakPolarHBondContact O-CG 3.36Å; F224-L228 PolarHBondContact O-N 3.15Å; A225-L228 PolarHBondContact O-N 2.79Å; E226-L228 VanDerWaalsContact C-N 3.32Å; E226-L228 PolarHBondContact O-N 3.01Å; L228-M297 HydrophobicContact CB-CE 4.29Å; L228-M297 HydrophobicContact CD1-CE 4.03Å; L228-V302 HydrophobicContact CB-CG2 4.15Å; L228-L312 HydrophobicContact CD1-CD2 4.21Å
229T95.6Very high91.8Very high8 Ų829.7 Ų29.75%0.04914%0.135CC..Hα-helixtrans-113.7-11.4-16965.10000114.3A225 E226 E231 M297 H300A225-T229 WeakPolarHBondContact O-CB 3.34Å; A225-T229 VanDerWaalsContact O-CG2 3.32Å; A225-T229 WeakPolarHBondContact O-CG2 3.43Å; A225-T229 PolarHBondContact O-N 3.38Å; A225-T229 PolarHBondContact O-OG1 3.27Å; E226-T229 PolarHBondContact O-N 2.83Å; T229-E231 PolarHBondContact O-N 3.04Å; T229-E231 PolarHBondContact OG1-N 3.46Å; T229-E231 PolarHBondContact OG1-O 2.73Å; T229-E231 VanDerWaalsContact OG1-O 3.08Å; T229-M297 HydrophobicContact CG2-CE 3.82Å; T229-M297 HydrophobicContact CG2-SD 4.25Å; T229-H300 HydrophobicContact CG2-CB 3.53Å
230S95.4Very high89.6Confident7 Ų735.4 Ų35.45%0.04917%0.165CC..SBendtrans58.113.2-164.7-55.60000114.6R112 E226R112-S230 PolarHBondContact NE-O 2.95Å; R112-S230 PolarHBondContact NH2-O 2.67Å; E226-S230 WeakPolarHBondContact O-CA 3.3Å; E226-S230 PolarHBondContact O-N 2.71Å
231E93.8Very high87.4Confident64 Ų6437.8 Ų37.830%0.29918%0.177SC..SBendtrans-128.9138-175.9-69.5179.8-145.300111.3K115 E226 T229 I233 H300K115-E231 IonicContact NZ-OE1 2.72Å; K115-E231 PolarHBondContact NZ-OE1 2.86Å; E226-E231 WeakPolarHBondContact CA-O 3.49Å; E226-E231 WeakPolarHBondContact CG-O 3.47Å; T229-E231 PolarHBondContact O-N 3.04Å; T229-E231 PolarHBondContact OG1-N 3.46Å; T229-E231 PolarHBondContact OG1-O 2.73Å; T229-E231 VanDerWaalsContact OG1-O 3.08Å; E231-I233 PolarHBondContact O-N 3.31Å; E231-I233 VanDerWaalsContact O-N 3.11Å; E231-H300 IonicContact OE1-CE1 3.35Å; E231-H300 IonicContact OE2-CE1 3.47Å; E231-H300 PolarHBondContact OE2-CE1 3.41Å; E231-H300 VanDerWaalsContact OE2-CE1 3.27Å
232P95.7Very high85.2Confident9 Ų945.5 Ų45.56%0.05821%0.21CC..  trans-69.9116.5-179.3-3.822.1000107.7R112 W198 E226 F234 H235R112-P232 VanDerWaalsContact NH2-CD 3.29Å; W198-P232 HydrophobicContact CE3-CB 3.97Å; W198-P232 HydrophobicContact CE3-CG 4.09Å; W198-P232 HydrophobicContact CZ3-CB 4.46Å; W198-P232 HydrophobicContact CZ3-CG 4.06Å; E226-P232 WeakPolarHBondContact OE1-CG 3.4Å; P232-F234 VanDerWaalsContact C-N 3.26Å; P232-F234 PolarHBondContact O-N 3.3Å; P232-H235 HydrophobicContact CB-CB 4.06Å; P232-H235 HydrophobicContact CG-CB 4.15Å; P232-H235 VanDerWaalsContact O-CB 3.28Å; P232-H235 WeakPolarHBondContact O-CB 3.29Å; P232-H235 PolarHBondContact O-N 2.8Å
233I97.8Very high83.2Confident2 Ų249.7 Ų49.71%0.0124%0.236CC..THydrogen-bonded Turntrans-54.7-42.9-171.3-179.1160.2000112.2C222 A225 E231 R254 V258 L293 Y296 M297 L316C222-I233 HydrophobicContact CB-CG2 4.2Å; A225-I233 HydrophobicContact CB-CB 3.81Å; A225-I233 HydrophobicContact CB-CD1 3.68Å; A225-I233 HydrophobicContact CB-CG1 4.34Å; A225-I233 HydrophobicContact CB-CG2 3.87Å; E231-I233 PolarHBondContact O-N 3.31Å; E231-I233 VanDerWaalsContact O-N 3.11Å; I233-R254 PolarHBondContact O-NE 2.99Å; I233-R254 VanDerWaalsContact O-NE 3.1Å; I233-R254 PolarHBondContact O-NH2 3.26Å; I233-V258 HydrophobicContact CD1-CG1 3.86Å; I233-V258 HydrophobicContact CG1-CG1 3.75Å; I233-L293 HydrophobicContact CD1-CD1 3.63Å; I233-Y296 HydrophobicContact CB-CE1 4.25Å; I233-Y296 HydrophobicContact CD1-CD1 3.95Å; I233-Y296 HydrophobicContact CD1-CE1 3.81Å; I233-Y296 HydrophobicContact CG1-CD1 4.09Å; I233-Y296 HydrophobicContact CG1-CE1 3.58Å; I233-M297 HydrophobicContact CD1-SD 4.47Å; I233-L316 HydrophobicContact CD1-CD1 3.85Å
234F96.8Very high81.7Confident2 Ų255.4 Ų55.41%0.00928%0.276CS..THydrogen-bonded Turntrans-104.836.5177.7-48.5-56000113.1W218 C222 P232 C236 Q251 R254 I255 V258 M259 L316W218-F234 AromaticContact CE2-CE2 3.79Å; W218-F234 HydrophobicContact CH2-CE2 4.02Å; W218-F234 AromaticContact CH2-CZ 3.94Å; W218-F234 HydrophobicContact CH2-CZ 3.94Å; W218-F234 HydrophobicContact CZ2-CD2 4.02Å; W218-F234 AromaticContact CZ2-CE2 3.28Å; W218-F234 HydrophobicContact CZ2-CE2 3.28Å; W218-F234 AromaticContact CZ2-CZ 3.63Å; W218-F234 HydrophobicContact CZ2-CZ 3.63Å; C222-F234 WeakPolarHBondContact SG-CD2 3.31Å; C222-F234 WeakPolarHBondContact SG-CE2 3.15Å; P232-F234 VanDerWaalsContact C-N 3.26Å; P232-F234 PolarHBondContact O-N 3.3Å; F234-C236 PolarHBondContact O-N 3.06Å; F234-C236 VanDerWaalsContact O-N 3.11Å; F234-Q251 PolarHBondContact O-NE2 2.93Å; F234-R254 HydrophobicContact CB-CG 4.24Å; F234-I255 HydrophobicContact CB-CG1 4.26Å; F234-I255 HydrophobicContact CD1-CB 4.31Å; F234-I255 HydrophobicContact CD1-CG1 3.78Å; F234-I255 HydrophobicContact CD2-CG1 4.31Å; F234-I255 HydrophobicContact CE1-CB 4.43Å; F234-I255 HydrophobicContact CE1-CG1 4.18Å; F234-I255 HydrophobicContact CE1-CG2 4.4Å; F234-I255 HydrophobicContact CG-CG1 3.85Å; F234-V258 HydrophobicContact CD1-CB 4.2Å; F234-V258 HydrophobicContact CD1-CG1 4.43Å; F234-V258 HydrophobicContact CD1-CG2 4.25Å; F234-V258 HydrophobicContact CE1-CB 3.86Å; F234-V258 HydrophobicContact CE1-CG1 3.79Å; F234-V258 HydrophobicContact CE1-CG2 4.38Å; F234-M259 HydrophobicContact CE1-CG 3.83Å; F234-M259 HydrophobicContact CE1-SD 4.1Å; F234-M259 HydrophobicContact CZ-CG 3.99Å; F234-M259 HydrophobicContact CZ-SD 3.93Å; F234-L316 HydrophobicContact CE2-CD1 4.48Å; F234-L316 HydrophobicContact CE2-CD2 4.04Å; F234-L316 HydrophobicContact CZ-CD1 4.27Å; F234-L316 HydrophobicContact CZ-CD2 4.4Å
235H92.6Very high80.6Confident72 Ų7258.5 Ų58.533%0.33329%0.293SS..  trans-55.1117.8173.1175.9-87.8000111.1W198 P232 R254W198-H235 AromaticContact CE2-CD2 3.9Å; W198-H235 AromaticContact CH2-CD2 3.64Å; W198-H235 AromaticContact CZ2-CD2 3.45Å; W198-H235 VanDerWaalsContact CZ2-CD2 3.45Å; W198-H235 WeakPolarHBondContact CZ2-CD2 3.29Å; W198-H235 AromaticContact CZ2-NE2 3.79Å; P232-H235 HydrophobicContact CB-CB 4.06Å; P232-H235 HydrophobicContact CG-CB 4.15Å; P232-H235 VanDerWaalsContact O-CB 3.28Å; P232-H235 WeakPolarHBondContact O-CB 3.29Å; P232-H235 PolarHBondContact O-N 2.8Å; H235-R254 WeakPolarHBondContact O-CD 3.12Å; H235-R254 WeakPolarHBondContact O-CG 3.38Å
236C84.4Confident79.8Confident14 Ų1460.5 Ų60.510%0.09531%0.305CS..  trans-121.9143.6174.9-1730000109.5W198 F234 D250W198-C236 PolarHBondContact NE1-O 3.12Å; F234-C236 PolarHBondContact O-N 3.06Å; F234-C236 VanDerWaalsContact O-N 3.11Å; C236-D250 VanDerWaalsContact SG-C 3.51Å; C236-D250 WeakPolarHBondContact SG-CB 3.4Å
237R72.6Confident79.3Confident214 Ų21461.1 Ų61.181%0.80831%0.308SS*.  trans-61.7144.8171.3-68.7-176.3177.7-178.90108.2E239R237-E239 PolarHBondContact O-N 3.25Å
238Q62.8Low78.8Confident106 Ų10661.8 Ų61.850%0.49531%0.311SS..  trans-64.9105.9172.1-74.3174.8-44.600107.2I241Q238-I241 HydrophobicContact CG-CD1 4.48Å
239E55.9Low78.5Confident79 Ų7963.5 Ų63.537%0.36932%0.318SS..  trans-62.2159.1155.8-69.1179.7-147.300108.1R237 I241 D250R237-E239 PolarHBondContact O-N 3.25Å; E239-I241 WeakPolarHBondContact O-CG1 3.25Å; E239-I241 PolarHBondContact O-N 3.17Å; E239-D250 HydrophobicContact CG-CB 4.39Å; E239-D250 WeakPolarHBondContact OE1-CB 3.19Å; E239-D250 PolarHBondContact OE1-N 2.89Å
240D51Low78.3Confident123 Ų12366.3 Ų66.366%0.65833%0.332SS*.  trans-57.199.6170.1-92-43000109K242D240-K242 HydrophobicContact CB-CD 4.15Å; D240-K242 HydrophobicContact CB-CG 4.23Å; D240-K242 PolarHBondContact O-N 3.23Å; D240-K242 WeakPolarHBondContact OD1-CE 3.36Å; D240-K242 IonicContact OD1-NZ 3.82Å; D240-K242 PolarHBondContact OD1-NZ 3.45Å; D240-K242 IonicContact OD2-NZ 3.65Å; D240-K242 PolarHBondContact OD2-NZ 3.35Å
241I54.4Low78.1Confident50 Ų5066.3 Ų66.326%0.25633%0.332SS..  trans-72.257178.5-53.6155.1000108.9V193 V195 F197 Q238 E239V193-I241 HydrophobicContact CG1-CG2 3.93Å; V195-I241 HydrophobicContact CB-CD1 4.35Å; V195-I241 HydrophobicContact CG1-CD1 3.67Å; V195-I241 WeakPolarHBondContact O-CD1 3.37Å; F197-I241 HydrophobicContact CE2-CG1 4.3Å; F197-I241 HydrophobicContact CE2-CG2 4.29Å; F197-I241 HydrophobicContact CZ-CG2 4.27Å; Q238-I241 HydrophobicContact CG-CD1 4.48Å; E239-I241 WeakPolarHBondContact O-CG1 3.25Å; E239-I241 PolarHBondContact O-N 3.17Å
242K52.2Low78.2Confident163 Ų16363.2 Ų63.271%0.70932%0.317SS*.  trans-99.7-11.2-178.3-68.2178.6-174.6159.20112.1D240D240-K242 HydrophobicContact CB-CD 4.15Å; D240-K242 HydrophobicContact CB-CG 4.23Å; D240-K242 PolarHBondContact O-N 3.23Å; D240-K242 WeakPolarHBondContact OD1-CE 3.36Å; D240-K242 IonicContact OD1-NZ 3.82Å; D240-K242 PolarHBondContact OD1-NZ 3.45Å; D240-K242 IonicContact OD2-NZ 3.65Å; D240-K242 PolarHBondContact OD2-NZ 3.35Å
243T57Low78.2Confident88 Ų8865.1 Ų65.154%0.5433%0.327SS..  trans-107.7132.7-178.263.80000110.5N245T243-N245 PolarHBondContact O-N 3.48Å; T243-N245 VanDerWaalsContact O-N 3.13Å
244S66Low78.1Confident121 Ų12168.5 Ų68.585%0.84634%0.34SS*.  trans-71.78.7171.251.50000113.1
245N77Confident78.2Confident66 Ų6668.5 Ų68.535%0.35334%0.339SS..  trans-71.1129-178.1-174-7.4000109.6T243 Y247 H248T243-N245 PolarHBondContact O-N 3.48Å; T243-N245 VanDerWaalsContact O-N 3.13Å; N245-Y247 PolarHBondContact O-N 3.29Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.46Å; N245-Y247 PolarHBondContact OD1-N 2.99Å; N245-H248 PolarHBondContact O-CE1 3.37Å; N245-H248 VanDerWaalsContact O-CE1 3.22Å; N245-H248 PolarHBondContact O-NE2 3.03Å
246P80.6Confident78.5Confident41 Ų4165.1 Ų65.127%0.26632%0.324SS..SBendtrans-62.1-23.9173.125.3-36.2000114.1L205 H248L205-P246 WeakPolarHBondContact CA-O 3.47Å; P246-H248 PolarHBondContact O-CD2 2.89Å; P246-H248 VanDerWaalsContact O-CD2 3.23Å; P246-H248 PolarHBondContact O-N 2.92Å
247Y87.7Confident79.1Confident20 Ų2067.8 Ų67.88%0.07834%0.337CS..  trans-79117.2-178-169.1-98.7000112.4L205 L206 N245 H249 L252 E275 T278 D282 F283L205-Y247 WeakPolarHBondContact O-CA 3.33Å; L206-Y247 HydrophobicContact CD2-CE2 4.34Å; N245-Y247 PolarHBondContact O-N 3.29Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.46Å; N245-Y247 PolarHBondContact OD1-N 2.99Å; Y247-H249 HydrophobicContact CE1-CB 4.35Å; Y247-L252 HydrophobicContact CD2-CD1 3.91Å; Y247-L252 HydrophobicContact CE2-CD1 3.54Å; Y247-E275 HydrophobicContact CD2-CB 3.68Å; Y247-E275 HydrophobicContact CD2-CG 4.07Å; Y247-E275 HydrophobicContact CE2-CB 4.26Å; Y247-E275 HydrophobicContact CG-CG 4.48Å; Y247-T278 HydrophobicContact CD1-CG2 4.02Å; Y247-T278 HydrophobicContact CD2-CG2 4.43Å; Y247-T278 HydrophobicContact CE1-CG2 3.57Å; Y247-T278 HydrophobicContact CE2-CG2 4.04Å; Y247-T278 HydrophobicContact CG-CG2 4.4Å; Y247-D282 WeakPolarHBondContact CE1-OD2 3.12Å; Y247-D282 PolarHBondContact OH-OD2 3.45Å; Y247-F283 WeakPolarHBondContact OH-CE2 3.49Å
248H87.9Confident80.3Confident17 Ų1757.7 Ų57.78%0.07930%0.299CS..  trans-124.2104.7177.8-59.1-65.3000109.9F197 L205 N245 P246 Q251 L252F197-H248 AromaticContact CD2-CD2 3.85Å; F197-H248 AromaticContact CD2-NE2 3.97Å; F197-H248 AromaticContact CE1-NE2 3.5Å; F197-H248 WeakPolarHBondContact CE1-NE2 3.49Å; F197-H248 AromaticContact CE2-CD2 3.78Å; F197-H248 AromaticContact CE2-CE1 3.46Å; F197-H248 VanDerWaalsContact CE2-CE1 3.46Å; F197-H248 WeakPolarHBondContact CE2-CE1 3.43Å; F197-H248 AromaticContact CE2-CG 4Å; F197-H248 AromaticContact CE2-ND1 3.8Å; F197-H248 AromaticContact CE2-NE2 3.42Å; F197-H248 WeakPolarHBondContact CE2-NE2 3.4Å; F197-H248 AromaticContact CG-CD2 4Å; F197-H248 AromaticContact CZ-CD2 3.86Å; F197-H248 AromaticContact CZ-CE1 3.49Å; F197-H248 VanDerWaalsContact CZ-CE1 3.49Å; F197-H248 WeakPolarHBondContact CZ-CE1 3.3Å; F197-H248 AromaticContact CZ-NE2 3.15Å; F197-H248 WeakPolarHBondContact CZ-NE2 3.33Å; L205-H248 HydrophobicContact CD2-CB 4.3Å; N245-H248 PolarHBondContact O-CE1 3.37Å; N245-H248 VanDerWaalsContact O-CE1 3.22Å; N245-H248 PolarHBondContact O-NE2 3.03Å; P246-H248 PolarHBondContact O-CD2 2.89Å; P246-H248 VanDerWaalsContact O-CD2 3.23Å; P246-H248 PolarHBondContact O-N 2.92Å; H248-Q251 HydrophobicContact CB-CB 3.96Å; H248-Q251 PolarHBondContact O-N 2.87Å; H248-L252 PolarHBondContact O-N 3.33Å; H248-L252 VanDerWaalsContact O-N 3.16Å
249H91.4Very high82Confident67 Ų6753.9 Ų53.931%0.3128%0.282SS..Hα-helixtrans-60.1-56.5-171.9175-83.4000112.3Y247 Q251 L252 D253 F283Y247-H249 HydrophobicContact CE1-CB 4.35Å; H249-Q251 PolarHBondContact O-N 2.93Å; H249-L252 PolarHBondContact O-N 3.27Å; H249-L252 VanDerWaalsContact O-N 3.1Å; H249-D253 PolarHBondContact O-N 3.33Å; H249-F283 AromaticContact CD2-CE2 3.7Å; H249-F283 AromaticContact CD2-CZ 3.54Å; H249-F283 AromaticContact NE2-CZ 3.6Å
250D90.6Very high84Confident67 Ų6750.5 Ų50.536%0.35827%0.268SS..Hα-helixtrans-67.8-26.3-173.8-63.5-11.2000111.9C236 E239 R254C236-D250 VanDerWaalsContact SG-C 3.51Å; C236-D250 WeakPolarHBondContact SG-CB 3.4Å; E239-D250 HydrophobicContact CG-CB 4.39Å; E239-D250 WeakPolarHBondContact OE1-CB 3.19Å; E239-D250 PolarHBondContact OE1-N 2.89Å; D250-R254 WeakPolarHBondContact O-CB 3.27Å; D250-R254 PolarHBondContact O-N 3.17Å
251Q92.5Very high86.3Confident7 Ų745.8 Ų45.83%0.03324%0.241CC..Hα-helixtrans-68.9-41.6174.8-17260.977.800111.8F197 L205 F234 H248 H249 R254 I255F197-Q251 HydrophobicContact CB-CG 3.91Å; L205-Q251 HydrophobicContact CD1-CB 4.31Å; L205-Q251 HydrophobicContact CD1-CG 3.7Å; L205-Q251 HydrophobicContact CD2-CG 4.24Å; F234-Q251 PolarHBondContact O-NE2 2.93Å; H248-Q251 HydrophobicContact CB-CB 3.96Å; H248-Q251 PolarHBondContact O-N 2.87Å; H249-Q251 PolarHBondContact O-N 2.93Å; Q251-R254 PolarHBondContact O-N 2.7Å; Q251-I255 WeakPolarHBondContact O-CG1 3.16Å; Q251-I255 PolarHBondContact O-N 2.89Å; Q251-I255 VanDerWaalsContact O-N 3.13Å
252L95.2Very high88.3Confident0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-66.9-44.6173.3-78.5168.2000111.2L205 L206 Y247 H248 H249 R254 I255 F256 L279 F283L205-L252 HydrophobicContact CB-CD1 4.3Å; L205-L252 HydrophobicContact CB-CD2 3.87Å; L205-L252 HydrophobicContact CB-CG 3.97Å; L205-L252 HydrophobicContact CD1-CD2 3.95Å; L205-L252 HydrophobicContact CD1-CG 4.09Å; L206-L252 HydrophobicContact CD2-CD1 3.93Å; L206-L252 HydrophobicContact CD2-CD2 4.39Å; Y247-L252 HydrophobicContact CD2-CD1 3.91Å; Y247-L252 HydrophobicContact CE2-CD1 3.54Å; H248-L252 PolarHBondContact O-N 3.33Å; H248-L252 VanDerWaalsContact O-N 3.16Å; H249-L252 PolarHBondContact O-N 3.27Å; H249-L252 VanDerWaalsContact O-N 3.1Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.29Å; L252-I255 WeakPolarHBondContact O-CB 3.09Å; L252-I255 PolarHBondContact O-N 3.49Å; L252-F256 HydrophobicContact CB-CE2 3.91Å; L252-F256 HydrophobicContact CB-CZ 4.37Å; L252-F256 HydrophobicContact CD2-CE2 4.36Å; L252-F256 HydrophobicContact CD2-CZ 3.98Å; L252-F256 WeakPolarHBondContact O-CD2 3.47Å; L252-F256 WeakPolarHBondContact O-CG 3.39Å; L252-F256 PolarHBondContact O-N 3.37Å; L252-L279 HydrophobicContact CD1-CD1 4.42Å; L252-F283 HydrophobicContact CB-CE2 4.24Å; L252-F283 HydrophobicContact CB-CZ 3.93Å
253D95.8Very high90.3Very high48 Ų4837 Ų3726%0.25721%0.207SC..Hα-helixtrans-54.6-44.6174.5-179.161.2000111.3H249 I255 F256 N257 F283 Y288H249-D253 PolarHBondContact O-N 3.33Å; D253-I255 PolarHBondContact O-N 3.3Å; D253-F256 PolarHBondContact O-N 2.88Å; D253-N257 VanDerWaalsContact CG-ND2 3.31Å; D253-N257 WeakPolarHBondContact O-CB 3.47Å; D253-N257 PolarHBondContact O-N 3.26Å; D253-N257 PolarHBondContact O-ND2 2.82Å; D253-N257 PolarHBondContact OD1-ND2 3.21Å; D253-N257 PolarHBondContact OD2-ND2 3.48Å; D253-F283 HydrophobicContact CB-CE1 3.78Å; D253-F283 HydrophobicContact CB-CZ 4.21Å; D253-Y288 WeakPolarHBondContact OD1-CE1 3.47Å; D253-Y288 PolarHBondContact OD1-OH 2.89Å
254R96.5Very high92Very high74 Ų7438.8 Ų38.828%0.27921%0.209SC..Hα-helixtrans-61.9-42176177.560-171.3-173.6-1.4112.4I233 F234 H235 D250 Q251 L252 V258I233-R254 PolarHBondContact O-NE 2.99Å; I233-R254 VanDerWaalsContact O-NE 3.1Å; I233-R254 PolarHBondContact O-NH2 3.26Å; F234-R254 HydrophobicContact CB-CG 4.24Å; H235-R254 WeakPolarHBondContact O-CD 3.12Å; H235-R254 WeakPolarHBondContact O-CG 3.38Å; D250-R254 WeakPolarHBondContact O-CB 3.27Å; D250-R254 PolarHBondContact O-N 3.17Å; Q251-R254 PolarHBondContact O-N 2.7Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.29Å; R254-V258 WeakPolarHBondContact O-CG2 3.09Å; R254-V258 PolarHBondContact O-N 3.34Å
255I97.9Very high93.5Very high1 Ų140.4 Ų40.41%0.00520%0.2CC..Hα-helixtrans-61.2-47.6176.3-69.8166.3000109.8L205 W218 F234 Q251 L252 D253 N257 V258 M259L205-I255 HydrophobicContact CD1-CD1 3.57Å; W218-I255 HydrophobicContact CH2-CG2 4.27Å; W218-I255 HydrophobicContact CZ2-CD1 4.28Å; W218-I255 HydrophobicContact CZ2-CG1 4.46Å; W218-I255 HydrophobicContact CZ2-CG2 4.36Å; F234-I255 HydrophobicContact CB-CG1 4.26Å; F234-I255 HydrophobicContact CD1-CB 4.31Å; F234-I255 HydrophobicContact CD1-CG1 3.78Å; F234-I255 HydrophobicContact CD2-CG1 4.31Å; F234-I255 HydrophobicContact CE1-CB 4.43Å; F234-I255 HydrophobicContact CE1-CG1 4.18Å; F234-I255 HydrophobicContact CE1-CG2 4.4Å; F234-I255 HydrophobicContact CG-CG1 3.85Å; Q251-I255 WeakPolarHBondContact O-CG1 3.16Å; Q251-I255 PolarHBondContact O-N 2.89Å; Q251-I255 VanDerWaalsContact O-N 3.13Å; L252-I255 WeakPolarHBondContact O-CB 3.09Å; L252-I255 PolarHBondContact O-N 3.49Å; D253-I255 PolarHBondContact O-N 3.3Å; I255-N257 PolarHBondContact O-N 3.44Å; I255-V258 PolarHBondContact O-N 3.03Å; I255-V258 VanDerWaalsContact O-N 3.14Å; I255-M259 HydrophobicContact CG2-CB 4.49Å; I255-M259 HydrophobicContact CG2-CG 4.02Å; I255-M259 WeakPolarHBondContact O-CB 3.38Å; I255-M259 WeakPolarHBondContact O-CG 3.38Å; I255-M259 PolarHBondContact O-N 2.71Å
256F98.3Very high94.3Very high2 Ų240.4 Ų40.41%0.00920%0.2CC..Hα-helixtrans-69.2-33.4-178.4-56.3-39.9000113.3L252 D253 V258 G260 F261 L279 F283 Y288 C291L252-F256 HydrophobicContact CB-CE2 3.91Å; L252-F256 HydrophobicContact CB-CZ 4.37Å; L252-F256 HydrophobicContact CD2-CE2 4.36Å; L252-F256 HydrophobicContact CD2-CZ 3.98Å; L252-F256 WeakPolarHBondContact O-CD2 3.47Å; L252-F256 WeakPolarHBondContact O-CG 3.39Å; L252-F256 PolarHBondContact O-N 3.37Å; D253-F256 PolarHBondContact O-N 2.88Å; F256-V258 PolarHBondContact O-N 3.05Å; F256-G260 WeakPolarHBondContact O-CA 3.41Å; F256-G260 PolarHBondContact O-N 2.88Å; F256-F261 HydrophobicContact CD1-CD2 4.23Å; F256-F261 AromaticContact CD2-CD2 3.97Å; F256-F261 HydrophobicContact CD2-CD2 3.97Å; F256-F261 HydrophobicContact CD2-CE2 4.27Å; F256-F261 HydrophobicContact CE1-CD2 4.37Å; F256-F261 HydrophobicContact CE2-CD2 4.11Å; F256-F261 AromaticContact CE2-CE2 3.97Å; F256-F261 HydrophobicContact CE2-CE2 3.97Å; F256-F261 HydrophobicContact CG-CD2 4.04Å; F256-F261 HydrophobicContact CZ-CD2 4.31Å; F256-F261 HydrophobicContact CZ-CE2 4.14Å; F256-L279 HydrophobicContact CE2-CD1 3.63Å; F256-L279 HydrophobicContact CZ-CD1 3.7Å; F256-F283 AromaticContact CD2-CD1 3.79Å; F256-F283 HydrophobicContact CD2-CD1 3.79Å; F256-F283 AromaticContact CD2-CE1 3.94Å; F256-F283 HydrophobicContact CD2-CE1 3.94Å; F256-F283 HydrophobicContact CD2-CG 4.32Å; F256-F283 AromaticContact CE2-CD1 4Å; F256-F283 HydrophobicContact CE2-CD1 4Å; F256-F283 HydrophobicContact CE2-CD2 4.36Å; F256-F283 HydrophobicContact CE2-CE1 4.16Å; F256-F283 HydrophobicContact CE2-CE2 4.48Å; F256-F283 HydrophobicContact CE2-CG 4.1Å; F256-F283 HydrophobicContact CE2-CZ 4.39Å; F256-Y288 HydrophobicContact CB-CD1 3.61Å; F256-Y288 HydrophobicContact CB-CD2 3.95Å; F256-Y288 HydrophobicContact CB-CE1 3.66Å; F256-Y288 HydrophobicContact CB-CE2 4Å; F256-Y288 HydrophobicContact CB-CG 3.76Å; F256-Y288 HydrophobicContact CD2-CE2 4.28Å; F256-C291 WeakPolarHBondContact O-CB 3.16Å
257N97.8Very high95.2Very high69 Ų6938.6 Ų38.637%0.36919%0.188SC..Hα-helixtrans-62-28.2172.3-86.4-56.3000113.1D253 I255 C291D253-N257 VanDerWaalsContact CG-ND2 3.31Å; D253-N257 WeakPolarHBondContact O-CB 3.47Å; D253-N257 PolarHBondContact O-N 3.26Å; D253-N257 PolarHBondContact O-ND2 2.82Å; D253-N257 PolarHBondContact OD1-ND2 3.21Å; D253-N257 PolarHBondContact OD2-ND2 3.48Å; I255-N257 PolarHBondContact O-N 3.44Å; N257-C291 WeakPolarHBondContact O-CB 3.32Å; N257-C291 PolarHBondContact O-SG 3.34Å; N257-C291 VanDerWaalsContact O-SG 3.37Å
258V98.3Very high95.6Very high2 Ų243.4 Ų43.41%0.01221%0.212CC..Hα-helixtrans-90.9-50.3177.11730000111.5I233 F234 R254 I255 F256 S292 L293 Y296I233-V258 HydrophobicContact CD1-CG1 3.86Å; I233-V258 HydrophobicContact CG1-CG1 3.75Å; F234-V258 HydrophobicContact CD1-CB 4.2Å; F234-V258 HydrophobicContact CD1-CG1 4.43Å; F234-V258 HydrophobicContact CD1-CG2 4.25Å; F234-V258 HydrophobicContact CE1-CB 3.86Å; F234-V258 HydrophobicContact CE1-CG1 3.79Å; F234-V258 HydrophobicContact CE1-CG2 4.38Å; R254-V258 WeakPolarHBondContact O-CG2 3.09Å; R254-V258 PolarHBondContact O-N 3.34Å; I255-V258 PolarHBondContact O-N 3.03Å; I255-V258 VanDerWaalsContact O-N 3.14Å; F256-V258 PolarHBondContact O-N 3.05Å; V258-S292 CarbonylContact O-C 3.33Å; V258-S292 WeakPolarHBondContact O-CA 3.19Å; V258-S292 PolarHBondContact O-N 3.17Å; V258-S292 VanDerWaalsContact O-O 3.08Å; V258-L293 HydrophobicContact CG1-CD1 4.27Å; V258-L293 PolarHBondContact O-N 3.05Å; V258-L293 VanDerWaalsContact O-N 3.09Å; V258-Y296 HydrophobicContact CG1-CD1 3.98Å; V258-Y296 HydrophobicContact CG1-CD2 4.19Å; V258-Y296 HydrophobicContact CG1-CG 3.78Å; V258-Y296 HydrophobicContact CG2-CD2 3.95Å; V258-Y296 HydrophobicContact CG2-CE2 4.13Å; V258-Y296 HydrophobicContact CG2-CG 4.4Å
259M98.4Very high96Very high27 Ų2744.9 Ų44.913%0.13322%0.22CC..Hα-helixtrans-89.1-21-169.1-59.9-57.4-64.800113.6F234 I255 L293 L316 M318F234-M259 HydrophobicContact CE1-CG 3.83Å; F234-M259 HydrophobicContact CE1-SD 4.1Å; F234-M259 HydrophobicContact CZ-CG 3.99Å; F234-M259 HydrophobicContact CZ-SD 3.93Å; I255-M259 HydrophobicContact CG2-CB 4.49Å; I255-M259 HydrophobicContact CG2-CG 4.02Å; I255-M259 WeakPolarHBondContact O-CB 3.38Å; I255-M259 WeakPolarHBondContact O-CG 3.38Å; I255-M259 PolarHBondContact O-N 2.71Å; M259-L293 HydrophobicContact CE-CB 4.08Å; M259-L293 HydrophobicContact CE-CD2 4.08Å; M259-L293 HydrophobicContact CE-CG 4.5Å; M259-L293 HydrophobicContact SD-CB 3.95Å; M259-L293 HydrophobicContact SD-CD1 3.89Å; M259-L293 HydrophobicContact SD-CD2 4.33Å; M259-L293 HydrophobicContact SD-CG 4.26Å; M259-L316 HydrophobicContact CE-CB 4.08Å; M259-L316 WeakPolarHBondContact CE-O 3.26Å; M259-M318 HydrophobicContact CB-CE 4.2Å; M259-M318 HydrophobicContact CB-SD 4.29Å
260G98.1Very high96.2Very high7 Ų742.5 Ų42.57%0.07221%0.21CC..  trans83162.7-159.200000111.7F256 C291F256-G260 WeakPolarHBondContact O-CA 3.41Å; F256-G260 PolarHBondContact O-N 2.88Å; G260-C291 WeakPolarHBondContact CA-O 3.5Å
261F97.8Very high96.5Very high24 Ų2444.9 Ų44.911%0.10522%0.217CC..PPolyproline II helixtrans-82.3128.1175.9-166.2-82.5000110.3F256 A263 L279 M280 F283 R285 Y288F256-F261 HydrophobicContact CD1-CD2 4.23Å; F256-F261 AromaticContact CD2-CD2 3.97Å; F256-F261 HydrophobicContact CD2-CD2 3.97Å; F256-F261 HydrophobicContact CD2-CE2 4.27Å; F256-F261 HydrophobicContact CE1-CD2 4.37Å; F256-F261 HydrophobicContact CE2-CD2 4.11Å; F256-F261 AromaticContact CE2-CE2 3.97Å; F256-F261 HydrophobicContact CE2-CE2 3.97Å; F256-F261 HydrophobicContact CG-CD2 4.04Å; F256-F261 HydrophobicContact CZ-CD2 4.31Å; F256-F261 HydrophobicContact CZ-CE2 4.14Å; F261-A263 PolarHBondContact O-N 2.81Å; F261-L279 HydrophobicContact CE2-CD1 4.3Å; F261-L279 HydrophobicContact CE2-CG 4.48Å; F261-L279 HydrophobicContact CZ-CD2 4.24Å; F261-L279 HydrophobicContact CZ-CG 4.35Å; F261-M280 HydrophobicContact CE1-CE 4.28Å; F261-M280 HydrophobicContact CZ-CE 3.72Å; F261-F283 HydrophobicContact CD2-CB 4.46Å; F261-F283 HydrophobicContact CE2-CB 3.77Å; F261-R285 HydrophobicContact CB-CG 4.41Å; F261-R285 HydrophobicContact CD1-CB 4.13Å; F261-R285 HydrophobicContact CD1-CG 4.23Å; F261-R285 HydrophobicContact CG-CB 4.44Å; F261-R285 PolarHBondContact O-NH1 2.94Å; F261-Y288 HydrophobicContact CB-CD2 3.9Å; F261-Y288 HydrophobicContact CB-CG 4.34Å; F261-Y288 HydrophobicContact CD2-CD2 4Å; F261-Y288 HydrophobicContact CD2-CE2 4.24Å; F261-Y288 HydrophobicContact CG-CD2 4.39Å
262P96.7Very high96.6Very high4 Ų451.2 Ų51.23%0.02624%0.244CC..PPolyproline II helixtrans-61.4132-172.323.8-32.6000112W267 I270 R285 M318P262-W267 HydrophobicContact CB-CB 4.39Å; P262-W267 HydrophobicContact CG-CE3 4.43Å; P262-I270 HydrophobicContact CG-CD1 3.83Å; P262-R285 VanDerWaalsContact C-NH1 3.28Å; P262-R285 VanDerWaalsContact O-CZ 3.25Å; P262-R285 PolarHBondContact O-NH1 3.34Å; P262-R285 PolarHBondContact O-NH2 2.86Å; P262-M318 HydrophobicContact CB-CE 3.7Å; P262-M318 HydrophobicContact CB-SD 3.99Å; P262-M318 HydrophobicContact CG-CE 4.27Å; P262-M318 HydrophobicContact CG-SD 4Å
263A95.3Very high96.6Very high25 Ų2552.9 Ų52.921%0.20725%0.252CS..PPolyproline II helixtrans-69.5159.2166.500000110.9F261 K265 D266 W267F261-A263 PolarHBondContact O-N 2.81Å; A263-K265 HydrophobicContact CB-CG 3.99Å; A263-K265 PolarHBondContact O-N 3.41Å; A263-D266 HydrophobicContact CB-CB 4.45Å; A263-D266 WeakPolarHBondContact CB-OD2 3.42Å; A263-D266 PolarHBondContact N-OD2 2.85Å; A263-D266 WeakPolarHBondContact O-CA 3.23Å; A263-D266 WeakPolarHBondContact O-CB 3.34Å; A263-D266 PolarHBondContact O-N 2.99Å; A263-W267 PolarHBondContact O-N 3.2Å
264E93.1Very high96.5Very high126 Ų12653.8 Ų53.859%0.58926%0.261SS*.THydrogen-bonded Turntrans-56.7-41.3177.4-174171.6-171.400111.1D266 W267 E268 K271E264-D266 PolarHBondContact O-N 2.97Å; E264-W267 CarbonylContact O-C 3.6Å; E264-W267 PolarHBondContact O-N 3.45Å; E264-E268 VanDerWaalsContact O-CA 3.27Å; E264-E268 WeakPolarHBondContact O-CA 3.49Å; E264-E268 WeakPolarHBondContact O-CG 3.36Å; E264-E268 PolarHBondContact O-N 3.13Å; E264-E268 VanDerWaalsContact O-N 3.1Å; E264-K271 IonicContact OE1-NZ 2.75Å
265K95.8Very high96.4Very high154 Ų15452.3 Ų52.367%0.6726%0.257SS*.THydrogen-bonded Turntrans-66.4-18173.868.7174.4-173.5176.50114.9A263 R322A263-K265 HydrophobicContact CB-CG 3.99Å; A263-K265 PolarHBondContact O-N 3.41Å; K265-R322 PolarHBondContact O-NH1 2.99Å
266D95.8Very high96.3Very high66 Ų6654.3 Ų54.335%0.35327%0.266SS..THydrogen-bonded Turntrans-86.4-30-179.3-59-33.3000110.5A263 E264 D319 R322A263-D266 HydrophobicContact CB-CB 4.45Å; A263-D266 WeakPolarHBondContact CB-OD2 3.42Å; A263-D266 PolarHBondContact N-OD2 2.85Å; A263-D266 WeakPolarHBondContact O-CA 3.23Å; A263-D266 WeakPolarHBondContact O-CB 3.34Å; A263-D266 PolarHBondContact O-N 2.99Å; E264-D266 PolarHBondContact O-N 2.97Å; D266-D319 WeakPolarHBondContact O-CB 3.14Å; D266-R322 PolarHBondContact O-NH1 2.94Å
267W97.7Very high96.3Very high3 Ų358.3 Ų58.31%0.01130%0.295CS..  trans-151.685.1176.6-170.64.6000111.4P202 E203 L206 P262 A263 E264 D269 I270 M273 M318 D319P202-W267 HydrophobicContact CB-CH2 4.22Å; P202-W267 HydrophobicContact CB-CZ3 4.07Å; P202-W267 HydrophobicContact CG-CH2 4.31Å; P202-W267 HydrophobicContact CG-CZ3 4.18Å; E203-W267 HydrophobicContact CB-CH2 4.06Å; E203-W267 HydrophobicContact CB-CZ2 3.98Å; L206-W267 HydrophobicContact CD1-CH2 3.67Å; L206-W267 HydrophobicContact CD1-CZ3 3.89Å; P262-W267 HydrophobicContact CB-CB 4.39Å; P262-W267 HydrophobicContact CG-CE3 4.43Å; A263-W267 PolarHBondContact O-N 3.2Å; E264-W267 CarbonylContact O-C 3.6Å; E264-W267 PolarHBondContact O-N 3.45Å; W267-D269 VanDerWaalsContact C-N 3.31Å; W267-D269 PolarHBondContact O-N 2.77Å; W267-I270 HydrophobicContact CB-CB 4.31Å; W267-I270 HydrophobicContact CD2-CB 3.74Å; W267-I270 HydrophobicContact CD2-CD1 4.15Å; W267-I270 HydrophobicContact CD2-CG1 3.92Å; W267-I270 HydrophobicContact CE3-CB 4.16Å; W267-I270 HydrophobicContact CE3-CD1 3.64Å; W267-I270 HydrophobicContact CE3-CG1 3.84Å; W267-I270 HydrophobicContact CG-CB 3.8Å; W267-I270 HydrophobicContact CG-CG1 4.47Å; W267-I270 HydrophobicContact CH2-CG1 4.47Å; W267-I270 HydrophobicContact CZ3-CD1 4.02Å; W267-I270 HydrophobicContact CZ3-CG1 4.13Å; W267-I270 WeakPolarHBondContact O-CB 3.31Å; W267-I270 WeakPolarHBondContact O-CG2 3.28Å; W267-I270 PolarHBondContact O-N 3.04Å; W267-M273 HydrophobicContact CZ2-CE 4.43Å; W267-M273 HydrophobicContact CZ2-CG 4.22Å; W267-M273 HydrophobicContact CZ2-SD 4.33Å; W267-M318 HydrophobicContact CE3-CB 4.19Å; W267-D319 HydrophobicContact CB-CB 3.88Å; W267-D319 HydrophobicContact CD2-CB 4.42Å; W267-D319 HydrophobicContact CG-CB 3.75Å
268E96.6Very high96.2Very high121 Ų12157 Ų5757%0.56529%0.289SS*.G310 helixtrans-66.8-35-173.9-65.5179.4-173.100112.5E264 I270 K271E264-E268 VanDerWaalsContact O-CA 3.27Å; E264-E268 WeakPolarHBondContact O-CA 3.49Å; E264-E268 WeakPolarHBondContact O-CG 3.36Å; E264-E268 PolarHBondContact O-N 3.13Å; E264-E268 VanDerWaalsContact O-N 3.1Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 2.9Å; E268-K271 WeakPolarHBondContact O-CE 3.41Å; E268-K271 WeakPolarHBondContact O-CG 3.42Å
269D96.5Very high96.1Very high49 Ų4956.9 Ų56.926%0.26229%0.288SS..G310 helixtrans-82.93.1-177.5-82.5-3.8000113.7W267 K271 K272W267-D269 VanDerWaalsContact C-N 3.31Å; W267-D269 PolarHBondContact O-N 2.77Å; D269-K271 PolarHBondContact O-N 2.84Å; D269-K271 VanDerWaalsContact O-N 3.16Å; D269-K272 HydrophobicContact CB-CD 4.17Å; D269-K272 WeakPolarHBondContact O-CB 3.47Å; D269-K272 PolarHBondContact O-N 3.32Å; D269-K272 WeakPolarHBondContact OD1-CD 3.11Å; D269-K272 WeakPolarHBondContact OD1-CE 3.49Å; D269-K272 IonicContact OD1-NZ 2.73Å; D269-K272 PolarHBondContact OD1-NZ 3.07Å; D269-K272 IonicContact OD2-NZ 3.06Å; D269-K272 PolarHBondContact OD2-NZ 2.92Å
270I96.6Very high96Very high17 Ų1759.9 Ų59.99%0.08730%0.303CS..G310 helixtrans-56.9-32.5174.4-159.9174.6000111.6L206 P262 W267 E268 K272 M273 H276 L279L206-I270 HydrophobicContact CD1-CD1 4.26Å; L206-I270 HydrophobicContact CD1-CG1 3.99Å; P262-I270 HydrophobicContact CG-CD1 3.83Å; W267-I270 HydrophobicContact CB-CB 4.31Å; W267-I270 HydrophobicContact CD2-CB 3.74Å; W267-I270 HydrophobicContact CD2-CD1 4.15Å; W267-I270 HydrophobicContact CD2-CG1 3.92Å; W267-I270 HydrophobicContact CE3-CB 4.16Å; W267-I270 HydrophobicContact CE3-CD1 3.64Å; W267-I270 HydrophobicContact CE3-CG1 3.84Å; W267-I270 HydrophobicContact CG-CB 3.8Å; W267-I270 HydrophobicContact CG-CG1 4.47Å; W267-I270 HydrophobicContact CH2-CG1 4.47Å; W267-I270 HydrophobicContact CZ3-CD1 4.02Å; W267-I270 HydrophobicContact CZ3-CG1 4.13Å; W267-I270 WeakPolarHBondContact O-CB 3.31Å; W267-I270 WeakPolarHBondContact O-CG2 3.28Å; W267-I270 PolarHBondContact O-N 3.04Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 2.9Å; I270-K272 PolarHBondContact O-N 3.46Å; I270-M273 WeakPolarHBondContact O-CB 3.43Å; I270-M273 WeakPolarHBondContact O-CG 3.48Å; I270-M273 PolarHBondContact O-N 3.38Å; I270-M273 VanDerWaalsContact O-N 3.11Å; I270-H276 WeakPolarHBondContact O-CB 3.44Å; I270-H276 PolarHBondContact O-CD2 2.95Å; I270-L279 HydrophobicContact CD1-CD2 3.76Å; I270-L279 HydrophobicContact CG1-CD2 4.33Å
271K96.3Very high96Very high117 Ų11768 Ų6851%0.50934%0.336SS..G310 helixtrans-66.6-16.6176.666.7-167.2167.7-165.50114.4E264 E268 D269E264-K271 IonicContact OE1-NZ 2.75Å; E268-K271 WeakPolarHBondContact O-CE 3.41Å; E268-K271 WeakPolarHBondContact O-CG 3.42Å; D269-K271 PolarHBondContact O-N 2.84Å; D269-K271 VanDerWaalsContact O-N 3.16Å
272K95.1Very high95.9Very high140 Ų14069.8 Ų69.861%0.60935%0.347SS*.G310 helixtrans-89.3-8.1176.2-58.6177.2-178.3161.20112.4D269 I270D269-K272 HydrophobicContact CB-CD 4.17Å; D269-K272 WeakPolarHBondContact O-CB 3.47Å; D269-K272 PolarHBondContact O-N 3.32Å; D269-K272 WeakPolarHBondContact OD1-CD 3.11Å; D269-K272 WeakPolarHBondContact OD1-CE 3.49Å; D269-K272 IonicContact OD1-NZ 2.73Å; D269-K272 PolarHBondContact OD1-NZ 3.07Å; D269-K272 IonicContact OD2-NZ 3.06Å; D269-K272 PolarHBondContact OD2-NZ 2.92Å; I270-K272 PolarHBondContact O-N 3.46Å
273M94.2Very high95.9Very high35 Ų3570.1 Ų70.117%0.17235%0.348CS..SBendtrans-70.6138.6179.7-65.2-63.8121.900110.9E203 L206 A208 W267 I270 E275 H276E203-M273 HydrophobicContact CB-SD 4.33Å; L206-M273 HydrophobicContact CB-CB 3.82Å; L206-M273 HydrophobicContact CB-CG 3.98Å; L206-M273 HydrophobicContact CB-SD 4.49Å; L206-M273 HydrophobicContact CD1-CB 4.48Å; L206-M273 HydrophobicContact CD1-CG 4.18Å; A208-M273 HydrophobicContact CB-SD 4.3Å; W267-M273 HydrophobicContact CZ2-CE 4.43Å; W267-M273 HydrophobicContact CZ2-CG 4.22Å; W267-M273 HydrophobicContact CZ2-SD 4.33Å; I270-M273 WeakPolarHBondContact O-CB 3.43Å; I270-M273 WeakPolarHBondContact O-CG 3.48Å; I270-M273 PolarHBondContact O-N 3.38Å; I270-M273 VanDerWaalsContact O-N 3.11Å; M273-E275 PolarHBondContact O-N 3.42Å; M273-H276 HydrophobicContact CB-CB 4.47Å; M273-H276 VanDerWaalsContact O-CB 3.26Å; M273-H276 WeakPolarHBondContact O-CB 3.42Å; M273-H276 PolarHBondContact O-N 2.95Å
274P93.9Very high95.9Very high66 Ų6678.5 Ų78.543%0.42937%0.374SS..THydrogen-bonded Turntrans-53.7-38.2-179.8-31.438.8000114.3L206 G207L206-P274 WeakPolarHBondContact O-CD 3.42Å; G207-P274 WeakPolarHBondContact O-CG 3.4Å
275E94.8Very high95.8Very high43 Ų4377.8 Ų77.820%0.20137%0.366CS..THydrogen-bonded Turntrans-94.616-177.7-58.7-61.1152.400113.6L206 Y247 M273 S277 T278 L279L206-E275 HydrophobicContact CD2-CB 4.45Å; L206-E275 WeakPolarHBondContact O-CB 3.27Å; L206-E275 PolarHBondContact O-N 3.37Å; L206-E275 VanDerWaalsContact O-N 3.08Å; Y247-E275 HydrophobicContact CD2-CB 3.68Å; Y247-E275 HydrophobicContact CD2-CG 4.07Å; Y247-E275 HydrophobicContact CE2-CB 4.26Å; Y247-E275 HydrophobicContact CG-CG 4.48Å; M273-E275 PolarHBondContact O-N 3.42Å; E275-S277 VanDerWaalsContact C-N 3.33Å; E275-S277 PolarHBondContact O-N 3.1Å; E275-T278 WeakPolarHBondContact O-CB 3.45Å; E275-T278 PolarHBondContact O-N 2.92Å; E275-T278 PolarHBondContact OE2-OG1 2.9Å; E275-L279 WeakPolarHBondContact O-CB 3.34Å; E275-L279 PolarHBondContact O-N 2.97Å
276H96.3Very high95.7Very high44 Ų4476.9 Ų76.920%0.20437%0.369CS..Hα-helixtrans-61.1-39.7-179.7176.9-103.5000112.8I270 M273 T278 L279 M280I270-H276 WeakPolarHBondContact O-CB 3.44Å; I270-H276 PolarHBondContact O-CD2 2.95Å; M273-H276 HydrophobicContact CB-CB 4.47Å; M273-H276 VanDerWaalsContact O-CB 3.26Å; M273-H276 WeakPolarHBondContact O-CB 3.42Å; M273-H276 PolarHBondContact O-N 2.95Å; H276-T278 VanDerWaalsContact C-N 3.33Å; H276-T278 PolarHBondContact O-N 3.44Å; H276-L279 WeakPolarHBondContact O-CB 3.46Å; H276-L279 PolarHBondContact O-N 2.9Å; H276-M280 WeakPolarHBondContact O-CG 3.26Å; H276-M280 PolarHBondContact O-N 3.31Å
277S96.5Very high95.8Very high86 Ų8678.2 Ų78.260%0.60138%0.379SS*.Hα-helixtrans-63.9-39.8176.849.30000112.2E275 M280 K281E275-S277 VanDerWaalsContact C-N 3.33Å; E275-S277 PolarHBondContact O-N 3.1Å; S277-M280 PolarHBondContact O-N 3.5Å; S277-K281 PolarHBondContact O-N 3.2Å; S277-K281 VanDerWaalsContact O-N 3.15Å
278T96.2Very high95.7Very high41 Ų4178.6 Ų78.625%0.25238%0.381SS..Hα-helixtrans-63.9-46.3175.6-450000109.9Y247 E275 H276 M280 K281 D282Y247-T278 HydrophobicContact CD1-CG2 4.02Å; Y247-T278 HydrophobicContact CD2-CG2 4.43Å; Y247-T278 HydrophobicContact CE1-CG2 3.57Å; Y247-T278 HydrophobicContact CE2-CG2 4.04Å; Y247-T278 HydrophobicContact CG-CG2 4.4Å; E275-T278 WeakPolarHBondContact O-CB 3.45Å; E275-T278 PolarHBondContact O-N 2.92Å; E275-T278 PolarHBondContact OE2-OG1 2.9Å; H276-T278 VanDerWaalsContact C-N 3.33Å; H276-T278 PolarHBondContact O-N 3.44Å; T278-M280 PolarHBondContact O-N 2.89Å; T278-K281 WeakPolarHBondContact O-CB 3.47Å; T278-K281 PolarHBondContact O-N 2.96Å; T278-K281 VanDerWaalsContact O-N 3.11Å; T278-D282 PolarHBondContact O-N 3.11Å
279L96.6Very high95.6Very high0 Ų077.5 Ų77.50%038%0.383CS..Hα-helixtrans-55.5-46.7175.4-18073.8000112.3L206 L252 F256 F261 I270 E275 H276 K281 D282 F283L206-L279 HydrophobicContact CD1-CD2 4.25Å; L206-L279 HydrophobicContact CD2-CB 4.06Å; L206-L279 HydrophobicContact CD2-CD1 4.13Å; L206-L279 HydrophobicContact CD2-CD2 4.03Å; L206-L279 HydrophobicContact CD2-CG 4.29Å; L252-L279 HydrophobicContact CD1-CD1 4.42Å; F256-L279 HydrophobicContact CE2-CD1 3.63Å; F256-L279 HydrophobicContact CZ-CD1 3.7Å; F261-L279 HydrophobicContact CE2-CD1 4.3Å; F261-L279 HydrophobicContact CE2-CG 4.48Å; F261-L279 HydrophobicContact CZ-CD2 4.24Å; F261-L279 HydrophobicContact CZ-CG 4.35Å; I270-L279 HydrophobicContact CD1-CD2 3.76Å; I270-L279 HydrophobicContact CG1-CD2 4.33Å; E275-L279 WeakPolarHBondContact O-CB 3.34Å; E275-L279 PolarHBondContact O-N 2.97Å; H276-L279 WeakPolarHBondContact O-CB 3.46Å; H276-L279 PolarHBondContact O-N 2.9Å; L279-K281 VanDerWaalsContact C-N 3.29Å; L279-K281 PolarHBondContact O-N 3.4Å; L279-D282 PolarHBondContact O-N 2.99Å; L279-F283 HydrophobicContact CD1-CB 4.39Å; L279-F283 HydrophobicContact CD1-CD2 3.55Å; L279-F283 HydrophobicContact CD1-CE2 4.11Å; L279-F283 HydrophobicContact CD1-CG 4.12Å; L279-F283 HydrophobicContact CG-CD2 4.46Å; L279-F283 WeakPolarHBondContact O-CB 3.46Å; L279-F283 PolarHBondContact O-N 3.25Å
280M96.6Very high95.6Very high89 Ų8981.1 Ų81.144%0.43840%0.402SS..Hα-helixtrans-68.9-26.4179.8-67.5-58.9104.100113.6F261 H276 S277 T278F261-M280 HydrophobicContact CE1-CE 4.28Å; F261-M280 HydrophobicContact CZ-CE 3.72Å; H276-M280 WeakPolarHBondContact O-CG 3.26Å; H276-M280 PolarHBondContact O-N 3.31Å; S277-M280 PolarHBondContact O-N 3.5Å; T278-M280 PolarHBondContact O-N 2.89Å
281K96.9Very high95.6Very high177 Ų17781.9 Ų81.977%0.7741%0.408SS*.Hα-helixtrans-74-43.7175.8-179.7-170.4170.2-166.30111.2S277 T278 L279S277-K281 PolarHBondContact O-N 3.2Å; S277-K281 VanDerWaalsContact O-N 3.15Å; T278-K281 WeakPolarHBondContact O-CB 3.47Å; T278-K281 PolarHBondContact O-N 2.96Å; T278-K281 VanDerWaalsContact O-N 3.11Å; L279-K281 VanDerWaalsContact C-N 3.29Å; L279-K281 PolarHBondContact O-N 3.4Å
282D95.9Very high95.7Very high63 Ų6377.9 Ų77.934%0.33740%0.395SS..Hα-helixtrans-87.5-32-170.4-61.5-14.6000112.4Y247 T278 L279Y247-D282 WeakPolarHBondContact CE1-OD2 3.12Å; Y247-D282 PolarHBondContact OH-OD2 3.45Å; T278-D282 PolarHBondContact O-N 3.11Å; L279-D282 PolarHBondContact O-N 2.99Å
283F97.1Very high95.9Very high10 Ų1071.5 Ų71.54%0.04437%0.368CS..  trans-113.8138.6-171.7-65.5-86.1000113.4Y247 H249 L252 D253 F256 F261 L279 Y288Y247-F283 WeakPolarHBondContact OH-CE2 3.49Å; H249-F283 AromaticContact CD2-CE2 3.7Å; H249-F283 AromaticContact CD2-CZ 3.54Å; H249-F283 AromaticContact NE2-CZ 3.6Å; L252-F283 HydrophobicContact CB-CE2 4.24Å; L252-F283 HydrophobicContact CB-CZ 3.93Å; D253-F283 HydrophobicContact CB-CE1 3.78Å; D253-F283 HydrophobicContact CB-CZ 4.21Å; F256-F283 AromaticContact CD2-CD1 3.79Å; F256-F283 HydrophobicContact CD2-CD1 3.79Å; F256-F283 AromaticContact CD2-CE1 3.94Å; F256-F283 HydrophobicContact CD2-CE1 3.94Å; F256-F283 HydrophobicContact CD2-CG 4.32Å; F256-F283 AromaticContact CE2-CD1 4Å; F256-F283 HydrophobicContact CE2-CD1 4Å; F256-F283 HydrophobicContact CE2-CD2 4.36Å; F256-F283 HydrophobicContact CE2-CE1 4.16Å; F256-F283 HydrophobicContact CE2-CE2 4.48Å; F256-F283 HydrophobicContact CE2-CG 4.1Å; F256-F283 HydrophobicContact CE2-CZ 4.39Å; F261-F283 HydrophobicContact CD2-CB 4.46Å; F261-F283 HydrophobicContact CE2-CB 3.77Å; L279-F283 HydrophobicContact CD1-CB 4.39Å; L279-F283 HydrophobicContact CD1-CD2 3.55Å; L279-F283 HydrophobicContact CD1-CE2 4.11Å; L279-F283 HydrophobicContact CD1-CG 4.12Å; L279-F283 HydrophobicContact CG-CD2 4.46Å; L279-F283 WeakPolarHBondContact O-CB 3.46Å; L279-F283 PolarHBondContact O-N 3.25Å; F283-Y288 AromaticContact CD1-CE2 3.96Å; F283-Y288 HydrophobicContact CD1-CE2 3.96Å; F283-Y288 AromaticContact CD1-CZ 3.94Å; F283-Y288 WeakPolarHBondContact CD1-OH 3.33Å; F283-Y288 WeakPolarHBondContact CE1-OH 3.18Å
284R94.9Very high96.1Very high202 Ų20273 Ų7376%0.76238%0.376SS*.  trans-114.6126171.9-62.7-174.9-179.9-162.10.1110.2N286 T287R284-N286 PolarHBondContact O-N 2.87Å; R284-N286 VanDerWaalsContact O-N 3.13Å; R284-T287 VanDerWaalsContact O-CB 3.26Å; R284-T287 WeakPolarHBondContact O-CB 3.38Å; R284-T287 PolarHBondContact O-N 3.16Å; R284-T287 PolarHBondContact O-OG1 3.16Å
285R92.1Very high96.3Very high110 Ų11074 Ų7442%0.41537%0.374SS..G310 helixtrans-48.9-43178.2-180-175.6-65.9-73-4.6112.9F261 P262 T287 Y288F261-R285 HydrophobicContact CB-CG 4.41Å; F261-R285 HydrophobicContact CD1-CB 4.13Å; F261-R285 HydrophobicContact CD1-CG 4.23Å; F261-R285 HydrophobicContact CG-CB 4.44Å; F261-R285 PolarHBondContact O-NH1 2.94Å; P262-R285 VanDerWaalsContact C-NH1 3.28Å; P262-R285 VanDerWaalsContact O-CZ 3.25Å; P262-R285 PolarHBondContact O-NH1 3.34Å; P262-R285 PolarHBondContact O-NH2 2.86Å; R285-T287 PolarHBondContact O-N 3.32Å; R285-T287 VanDerWaalsContact O-N 3.15Å; R285-Y288 PolarHBondContact O-N 2.84Å
286N94Very high96.5Very high136 Ų13673 Ų7373%0.72737%0.368SS*.G310 helixtrans-60.4-27.6-175.1-68.46.2000113R284 Y288 T289R284-N286 PolarHBondContact O-N 2.87Å; R284-N286 VanDerWaalsContact O-N 3.13Å; N286-Y288 PolarHBondContact O-N 2.63Å; N286-T289 WeakPolarHBondContact CA-OG1 3.47Å; N286-T289 PolarHBondContact O-N 3.44Å; N286-T289 PolarHBondContact O-OG1 2.95Å
287T96.1Very high96.5Very high93 Ų9371 Ų7157%0.57136%0.359SS*.G310 helixtrans-57.7-32.1175.9-54.10000112.3R284 R285R284-T287 VanDerWaalsContact O-CB 3.26Å; R284-T287 WeakPolarHBondContact O-CB 3.38Å; R284-T287 PolarHBondContact O-N 3.16Å; R284-T287 PolarHBondContact O-OG1 3.16Å; R285-T287 PolarHBondContact O-N 3.32Å; R285-T287 VanDerWaalsContact O-N 3.15Å
288Y97.3Very high96.6Very high11 Ų1171.8 Ų71.84%0.04335%0.353CS..G310 helixtrans-110.715.4-172.3-49.2-77.4000113.6D253 F256 F261 F283 R285 N286 N290 C291D253-Y288 WeakPolarHBondContact OD1-CE1 3.47Å; D253-Y288 PolarHBondContact OD1-OH 2.89Å; F256-Y288 HydrophobicContact CB-CD1 3.61Å; F256-Y288 HydrophobicContact CB-CD2 3.95Å; F256-Y288 HydrophobicContact CB-CE1 3.66Å; F256-Y288 HydrophobicContact CB-CE2 4Å; F256-Y288 HydrophobicContact CB-CG 3.76Å; F256-Y288 HydrophobicContact CD2-CE2 4.28Å; F261-Y288 HydrophobicContact CB-CD2 3.9Å; F261-Y288 HydrophobicContact CB-CG 4.34Å; F261-Y288 HydrophobicContact CD2-CD2 4Å; F261-Y288 HydrophobicContact CD2-CE2 4.24Å; F261-Y288 HydrophobicContact CG-CD2 4.39Å; F283-Y288 AromaticContact CD1-CE2 3.96Å; F283-Y288 HydrophobicContact CD1-CE2 3.96Å; F283-Y288 AromaticContact CD1-CZ 3.94Å; F283-Y288 WeakPolarHBondContact CD1-OH 3.33Å; F283-Y288 WeakPolarHBondContact CE1-OH 3.18Å; R285-Y288 PolarHBondContact O-N 2.84Å; N286-Y288 PolarHBondContact O-N 2.63Å; Y288-N290 PolarHBondContact O-N 3.4Å; Y288-N290 VanDerWaalsContact O-N 3.14Å; Y288-C291 WeakPolarHBondContact O-CB 3.21Å; Y288-C291 PolarHBondContact O-N 3.09Å
289T94.4Very high96.6Very high99 Ų9977.9 Ų77.961%0.60738%0.376SS*.THydrogen-bonded Turntrans-56.7-33.4-176.6-50.40000112.7N286N286-T289 WeakPolarHBondContact CA-OG1 3.47Å; N286-T289 PolarHBondContact O-N 3.44Å; N286-T289 PolarHBondContact O-OG1 2.95Å
290N95.3Very high96.5Very high125 Ų12579.5 Ų79.567%0.66838%0.383SS*.THydrogen-bonded Turntrans-956.9-178.9-75.4-41.7000113.8Y288 K295Y288-N290 PolarHBondContact O-N 3.4Å; Y288-N290 VanDerWaalsContact O-N 3.14Å; N290-K295 WeakPolarHBondContact O-CD 3.36Å; N290-K295 PolarHBondContact O-NZ 3.2Å
291C97.9Very high96.4Very high32 Ų3283.5 Ų83.522%0.21640%0.398CS..  trans-99.1134.8-177.8-61.20000110.8F256 N257 G260 Y288F256-C291 WeakPolarHBondContact O-CB 3.16Å; N257-C291 WeakPolarHBondContact O-CB 3.32Å; N257-C291 PolarHBondContact O-SG 3.34Å; N257-C291 VanDerWaalsContact O-SG 3.37Å; G260-C291 WeakPolarHBondContact CA-O 3.5Å; Y288-C291 WeakPolarHBondContact O-CB 3.21Å; Y288-C291 PolarHBondContact O-N 3.09Å
292S98.3Very high96.4Very high34 Ų3475.9 Ų75.924%0.23837%0.367CS..  trans-161.3152173.469.10000110.6V258 I294 K295 Y296V258-S292 CarbonylContact O-C 3.33Å; V258-S292 WeakPolarHBondContact O-CA 3.19Å; V258-S292 PolarHBondContact O-N 3.17Å; V258-S292 VanDerWaalsContact O-O 3.08Å; S292-I294 PolarHBondContact O-N 3.48Å; S292-K295 PolarHBondContact O-N 3Å; S292-K295 VanDerWaalsContact O-N 3.1Å; S292-K295 PolarHBondContact OG-N 3.22Å; S292-Y296 PolarHBondContact O-N 3.45Å
293L98.4Very high96.4Very high6 Ų679.7 Ų79.73%0.03138%0.38CS..Hα-helixtrans-56.9-35.2177.3-177.261.6000111.3I233 V258 M259 Y296 M297 F309 L312 Q313 L316I233-L293 HydrophobicContact CD1-CD1 3.63Å; V258-L293 HydrophobicContact CG1-CD1 4.27Å; V258-L293 PolarHBondContact O-N 3.05Å; V258-L293 VanDerWaalsContact O-N 3.09Å; M259-L293 HydrophobicContact CE-CB 4.08Å; M259-L293 HydrophobicContact CE-CD2 4.08Å; M259-L293 HydrophobicContact CE-CG 4.5Å; M259-L293 HydrophobicContact SD-CB 3.95Å; M259-L293 HydrophobicContact SD-CD1 3.89Å; M259-L293 HydrophobicContact SD-CD2 4.33Å; M259-L293 HydrophobicContact SD-CG 4.26Å; L293-Y296 PolarHBondContact O-N 3.12Å; L293-M297 HydrophobicContact CD1-CG 3.81Å; L293-M297 HydrophobicContact CD1-SD 4.24Å; L293-M297 HydrophobicContact CG-CG 4.1Å; L293-M297 WeakPolarHBondContact O-CB 3.17Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.34Å; L293-M297 PolarHBondContact O-N 3.38Å; L293-F309 HydrophobicContact CD2-CE2 4.35Å; L293-F309 HydrophobicContact CD2-CZ 4.48Å; L293-F309 HydrophobicContact CG-CE2 3.93Å; L293-F309 HydrophobicContact CG-CZ 4.25Å; L293-L312 HydrophobicContact CD2-CG 4.42Å; L293-Q313 HydrophobicContact CD2-CB 4.24Å; L293-Q313 HydrophobicContact CD2-CG 4.45Å; L293-L316 HydrophobicContact CD1-CD1 4.45Å; L293-L316 HydrophobicContact CD2-CB 4.5Å
294I98.5Very high96.4Very high67 Ų6780.6 Ų80.634%0.34439%0.387SS..Hα-helixtrans-53.8-59.1173.8-66.5172.7000110.2S292 Y296 M297 E298 P304 F309S292-I294 PolarHBondContact O-N 3.48Å; I294-Y296 VanDerWaalsContact C-N 3.26Å; I294-Y296 PolarHBondContact O-N 3.26Å; I294-M297 PolarHBondContact O-N 3.43Å; I294-E298 HydrophobicContact CG2-CG 4.49Å; I294-E298 WeakPolarHBondContact O-CG 3.45Å; I294-E298 PolarHBondContact O-N 3.03Å; I294-P304 HydrophobicContact CG2-CB 4.01Å; I294-P304 HydrophobicContact CG2-CG 3.71Å; I294-F309 HydrophobicContact CB-CZ 4.16Å; I294-F309 HydrophobicContact CG1-CE1 3.84Å; I294-F309 HydrophobicContact CG1-CE2 4.41Å; I294-F309 HydrophobicContact CG1-CZ 3.42Å; I294-F309 VanDerWaalsContact CG1-CZ 3.42Å
295K98.1Very high96.5Very high87 Ų8776.8 Ų76.838%0.37838%0.382SS..Hα-helixtrans-62.5-34.8-177.4-71.9177-179-177.80112.2N290 S292 K299N290-K295 WeakPolarHBondContact O-CD 3.36Å; N290-K295 PolarHBondContact O-NZ 3.2Å; S292-K295 PolarHBondContact O-N 3Å; S292-K295 VanDerWaalsContact O-N 3.1Å; S292-K295 PolarHBondContact OG-N 3.22Å; K295-K299 VanDerWaalsContact O-CG 3.29Å; K295-K299 WeakPolarHBondContact O-CG 3.46Å; K295-K299 PolarHBondContact O-N 3.01Å
296Y98.3Very high96.8Very high22 Ų2273 Ų739%0.08637%0.373CS..Hα-helixtrans-64.4-54.2174.9-179.7-97.5000110.5I233 V258 S292 L293 I294 E298 K299 H300I233-Y296 HydrophobicContact CB-CE1 4.25Å; I233-Y296 HydrophobicContact CD1-CD1 3.95Å; I233-Y296 HydrophobicContact CD1-CE1 3.81Å; I233-Y296 HydrophobicContact CG1-CD1 4.09Å; I233-Y296 HydrophobicContact CG1-CE1 3.58Å; V258-Y296 HydrophobicContact CG1-CD1 3.98Å; V258-Y296 HydrophobicContact CG1-CD2 4.19Å; V258-Y296 HydrophobicContact CG1-CG 3.78Å; V258-Y296 HydrophobicContact CG2-CD2 3.95Å; V258-Y296 HydrophobicContact CG2-CE2 4.13Å; V258-Y296 HydrophobicContact CG2-CG 4.4Å; S292-Y296 PolarHBondContact O-N 3.45Å; L293-Y296 PolarHBondContact O-N 3.12Å; I294-Y296 VanDerWaalsContact C-N 3.26Å; I294-Y296 PolarHBondContact O-N 3.26Å; Y296-E298 VanDerWaalsContact C-N 3.34Å; Y296-E298 PolarHBondContact O-N 2.92Å; Y296-K299 WeakPolarHBondContact O-CB 3.37Å; Y296-K299 PolarHBondContact O-N 3Å; Y296-K299 VanDerWaalsContact O-N 3.17Å; Y296-H300 AromaticContact CE1-CD2 3.98Å; Y296-H300 AromaticContact CE2-CD2 3.96Å; Y296-H300 AromaticContact CE2-NE2 3.61Å; Y296-H300 AromaticContact CZ-CD2 3.76Å; Y296-H300 AromaticContact CZ-NE2 3.56Å; Y296-H300 PolarHBondContact O-CD2 3.28Å; Y296-H300 VanDerWaalsContact O-CD2 3.3Å; Y296-H300 PolarHBondContact O-N 3.03Å
297M98.2Very high97Very high0 Ų070.2 Ų70.20%035%0.354CS..Hα-helixtrans-65.9-33.7-176.1-65.4-54.1-6700112.9L228 T229 I233 L293 I294 K299 H300 K301 V302 F309 L312L228-M297 HydrophobicContact CB-CE 4.29Å; L228-M297 HydrophobicContact CD1-CE 4.03Å; T229-M297 HydrophobicContact CG2-CE 3.82Å; T229-M297 HydrophobicContact CG2-SD 4.25Å; I233-M297 HydrophobicContact CD1-SD 4.47Å; L293-M297 HydrophobicContact CD1-CG 3.81Å; L293-M297 HydrophobicContact CD1-SD 4.24Å; L293-M297 HydrophobicContact CG-CG 4.1Å; L293-M297 WeakPolarHBondContact O-CB 3.17Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.34Å; L293-M297 PolarHBondContact O-N 3.38Å; I294-M297 PolarHBondContact O-N 3.43Å; M297-K299 PolarHBondContact O-N 3.34Å; M297-H300 CarbonylContact O-C 3.32Å; M297-H300 WeakPolarHBondContact O-CA 2.97Å; M297-H300 PolarHBondContact O-N 3.44Å; M297-K301 PolarHBondContact O-N 2.84Å; M297-V302 CarbonylContact C-O 3.38Å; M297-V302 HydrophobicContact CB-CB 4.13Å; M297-V302 HydrophobicContact CB-CG1 4.46Å; M297-V302 HydrophobicContact CE-CB 3.81Å; M297-V302 HydrophobicContact CE-CG1 3.91Å; M297-V302 HydrophobicContact CE-CG2 3.71Å; M297-V302 PolarHBondContact O-N 3.06Å; M297-F309 HydrophobicContact CB-CD2 3.82Å; M297-F309 HydrophobicContact CB-CE2 3.79Å; M297-F309 HydrophobicContact CG-CD2 3.85Å; M297-F309 HydrophobicContact CG-CE2 3.7Å; M297-L312 HydrophobicContact CE-CD2 3.6Å; M297-L312 HydrophobicContact CG-CD2 4.2Å; M297-L312 HydrophobicContact SD-CD2 3.86Å
298E97.3Very high97.2Very high103 Ų10366.4 Ų66.448%0.48133%0.332SS..Hα-helixtrans-59.8-43.5172.6-76.6179.1146.900112.5I294 Y296 H300 K301 P304I294-E298 HydrophobicContact CG2-CG 4.49Å; I294-E298 WeakPolarHBondContact O-CG 3.45Å; I294-E298 PolarHBondContact O-N 3.03Å; Y296-E298 VanDerWaalsContact C-N 3.34Å; Y296-E298 PolarHBondContact O-N 2.92Å; E298-H300 PolarHBondContact O-N 3.31Å; E298-K301 PolarHBondContact O-N 2.77Å; E298-P304 HydrophobicContact CG-CG 3.42Å; E298-P304 VanDerWaalsContact CG-CG 3.42Å; E298-P304 WeakPolarHBondContact OE1-CG 3.47Å
299K96.5Very high97.2Very high170 Ų17066 Ų6674%0.73933%0.33SS*.Hα-helixtrans-59.3-29.5175-70.5170.2-177.6-178.40112K295 Y296 M297 K301K295-K299 VanDerWaalsContact O-CG 3.29Å; K295-K299 WeakPolarHBondContact O-CG 3.46Å; K295-K299 PolarHBondContact O-N 3.01Å; Y296-K299 WeakPolarHBondContact O-CB 3.37Å; Y296-K299 PolarHBondContact O-N 3Å; Y296-K299 VanDerWaalsContact O-N 3.17Å; M297-K299 PolarHBondContact O-N 3.34Å; K299-K301 VanDerWaalsContact C-N 3.35Å
300H94.5Very high97.4Very high33 Ų3365.3 Ų65.315%0.15332%0.32CS..THydrogen-bonded Turntrans-93.914.5176.1-68.5-92.2000113.7T229 E231 Y296 M297 E298 V302T229-H300 HydrophobicContact CG2-CB 3.53Å; E231-H300 IonicContact OE1-CE1 3.35Å; E231-H300 IonicContact OE2-CE1 3.47Å; E231-H300 PolarHBondContact OE2-CE1 3.41Å; E231-H300 VanDerWaalsContact OE2-CE1 3.27Å; Y296-H300 AromaticContact CE1-CD2 3.98Å; Y296-H300 AromaticContact CE2-CD2 3.96Å; Y296-H300 AromaticContact CE2-NE2 3.61Å; Y296-H300 AromaticContact CZ-CD2 3.76Å; Y296-H300 AromaticContact CZ-NE2 3.56Å; Y296-H300 PolarHBondContact O-CD2 3.28Å; Y296-H300 VanDerWaalsContact O-CD2 3.3Å; Y296-H300 PolarHBondContact O-N 3.03Å; M297-H300 CarbonylContact O-C 3.32Å; M297-H300 WeakPolarHBondContact O-CA 2.97Å; M297-H300 PolarHBondContact O-N 3.44Å; E298-H300 PolarHBondContact O-N 3.31Å; H300-V302 VanDerWaalsContact C-N 3.29Å; H300-V302 PolarHBondContact O-N 2.79Å
301K95Very high97.6Very high173 Ų17359.4 Ų59.475%0.75229%0.288SS*.THydrogen-bonded Turntrans6427.8175.6-49.7-178.2178.8-174.80114.3M297 E298 K299M297-K301 PolarHBondContact O-N 2.84Å; E298-K301 PolarHBondContact O-N 2.77Å; K299-K301 VanDerWaalsContact C-N 3.35Å
302V96.3Very high97.6Very high17 Ų1757.9 Ų57.910%0.10328%0.278CS..  trans-100123.6169.5176.60000108.1L228 M297 H300 F309L228-V302 HydrophobicContact CB-CG2 4.15Å; M297-V302 CarbonylContact C-O 3.38Å; M297-V302 HydrophobicContact CB-CB 4.13Å; M297-V302 HydrophobicContact CB-CG1 4.46Å; M297-V302 HydrophobicContact CE-CB 3.81Å; M297-V302 HydrophobicContact CE-CG1 3.91Å; M297-V302 HydrophobicContact CE-CG2 3.71Å; M297-V302 PolarHBondContact O-N 3.06Å; H300-V302 VanDerWaalsContact C-N 3.29Å; H300-V302 PolarHBondContact O-N 2.79Å; V302-F309 HydrophobicContact CG1-CB 4.41Å
303K97.1Very high97.7Very high143 Ų14360.2 Ų60.262%0.62229%0.285SS*.  trans-76.3131.3-174.3-54.8-174.8172.5-173.90111.2D305 S306 F309K303-D305 VanDerWaalsContact C-N 3.26Å; K303-D305 WeakPolarHBondContact CB-OD1 3.23Å; K303-D305 PolarHBondContact O-N 3.35Å; K303-S306 VanDerWaalsContact O-CB 3.31Å; K303-S306 WeakPolarHBondContact O-CB 3.5Å; K303-S306 PolarHBondContact O-N 3.18Å; K303-S306 VanDerWaalsContact O-N 3.14Å; K303-S306 PolarHBondContact O-OG 3.08Å; K303-F309 WeakPolarHBondContact O-CB 3.46Å
304P96.8Very high97.7Very high30 Ų3064 Ų6420%0.19530%0.301CS..THydrogen-bonded Turntrans-65.6-23.8-179.3-24.334.8000115.2I294 E298 S306 F309 H310I294-P304 HydrophobicContact CG2-CB 4.01Å; I294-P304 HydrophobicContact CG2-CG 3.71Å; E298-P304 HydrophobicContact CG-CG 3.42Å; E298-P304 VanDerWaalsContact CG-CG 3.42Å; E298-P304 WeakPolarHBondContact OE1-CG 3.47Å; P304-S306 VanDerWaalsContact C-N 3.27Å; P304-F309 HydrophobicContact CB-CD1 4.27Å; P304-F309 HydrophobicContact CB-CE1 4.3Å; P304-F309 WeakPolarHBondContact O-CD1 3.17Å; P304-H310 PolarHBondContact O-NE2 2.87Å
305D97Very high97.7Very high121 Ų12160.8 Ų60.865%0.64729%0.285SS*.THydrogen-bonded Turntrans-82.7-3.617763.9-21.4000112.9K303K303-D305 VanDerWaalsContact C-N 3.26Å; K303-D305 WeakPolarHBondContact CB-OD1 3.23Å; K303-D305 PolarHBondContact O-N 3.35Å
306S98.3Very high97.7Very high32 Ų3256.7 Ų56.722%0.22427%0.267CS..SBendtrans-77.2145.1-179.970.90000112.2K303 P304 A308 F309 H310K303-S306 VanDerWaalsContact O-CB 3.31Å; K303-S306 WeakPolarHBondContact O-CB 3.5Å; K303-S306 PolarHBondContact O-N 3.18Å; K303-S306 VanDerWaalsContact O-N 3.14Å; K303-S306 PolarHBondContact O-OG 3.08Å; P304-S306 VanDerWaalsContact C-N 3.27Å; S306-A308 PolarHBondContact O-N 3.41Å; S306-F309 WeakPolarHBondContact O-CB 3.32Å; S306-F309 PolarHBondContact O-N 2.94Å; S306-F309 WeakPolarHBondContact OG-CB 3.23Å; S306-F309 PolarHBondContact OG-N 3.23Å; S306-H310 PolarHBondContact O-CD2 3.47Å; S306-H310 PolarHBondContact O-N 3.14Å; S306-H310 VanDerWaalsContact O-N 3.09Å
307K98.6Very high97.8Very high77 Ų7757.3 Ų57.334%0.33527%0.273SS..Hα-helixtrans-57.4-34.8173.9-64.1-177.2-174.8137.40112.5F309 H310 L311 P333 Y334 E337K307-F309 VanDerWaalsContact C-N 3.35Å; K307-F309 PolarHBondContact O-N 3.47Å; K307-H310 PolarHBondContact O-N 3.3Å; K307-L311 WeakPolarHBondContact O-CB 3.43Å; K307-L311 PolarHBondContact O-N 3.29Å; K307-P333 HydrophobicContact CD-CB 4.08Å; K307-Y334 HydrophobicContact CB-CD2 4.15Å; K307-E337 HydrophobicContact CD-CB 4.09Å; K307-E337 WeakPolarHBondContact CD-OE1 3.46Å; K307-E337 WeakPolarHBondContact CE-OE1 3.42Å; K307-E337 IonicContact NZ-OE1 3.8Å; K307-E337 PolarHBondContact NZ-OE1 2.74Å
308A98.4Very high97.8Very high12 Ų1258.5 Ų58.510%0.09928%0.279CS..Hα-helixtrans-56.9-46.6173.600000112F224 S306 L312 Y334F224-A308 VanDerWaalsContact CE1-O 3.31Å; F224-A308 WeakPolarHBondContact CE1-O 3.24Å; F224-A308 HydrophobicContact CZ-CB 4.11Å; S306-A308 PolarHBondContact O-N 3.41Å; A308-L312 WeakPolarHBondContact O-CB 3.31Å; A308-L312 PolarHBondContact O-N 3.2Å; A308-Y334 HydrophobicContact CB-CD2 3.97Å; A308-Y334 HydrophobicContact CB-CE2 3.55Å
309F98.8Very high97.8Very high3 Ų354 Ų541%0.01326%0.258CS..Hα-helixtrans-66.8-44.2178.2177.2-91.5000112L293 I294 M297 V302 K303 P304 S306 K307 L311 L312 Q313L293-F309 HydrophobicContact CD2-CE2 4.35Å; L293-F309 HydrophobicContact CD2-CZ 4.48Å; L293-F309 HydrophobicContact CG-CE2 3.93Å; L293-F309 HydrophobicContact CG-CZ 4.25Å; I294-F309 HydrophobicContact CB-CZ 4.16Å; I294-F309 HydrophobicContact CG1-CE1 3.84Å; I294-F309 HydrophobicContact CG1-CE2 4.41Å; I294-F309 HydrophobicContact CG1-CZ 3.42Å; I294-F309 VanDerWaalsContact CG1-CZ 3.42Å; M297-F309 HydrophobicContact CB-CD2 3.82Å; M297-F309 HydrophobicContact CB-CE2 3.79Å; M297-F309 HydrophobicContact CG-CD2 3.85Å; M297-F309 HydrophobicContact CG-CE2 3.7Å; V302-F309 HydrophobicContact CG1-CB 4.41Å; K303-F309 WeakPolarHBondContact O-CB 3.46Å; P304-F309 HydrophobicContact CB-CD1 4.27Å; P304-F309 HydrophobicContact CB-CE1 4.3Å; P304-F309 WeakPolarHBondContact O-CD1 3.17Å; S306-F309 WeakPolarHBondContact O-CB 3.32Å; S306-F309 PolarHBondContact O-N 2.94Å; S306-F309 WeakPolarHBondContact OG-CB 3.23Å; S306-F309 PolarHBondContact OG-N 3.23Å; K307-F309 VanDerWaalsContact C-N 3.35Å; K307-F309 PolarHBondContact O-N 3.47Å; F309-L311 VanDerWaalsContact C-N 3.35Å; F309-L311 PolarHBondContact O-N 2.92Å; F309-L312 WeakPolarHBondContact O-CB 3.32Å; F309-L312 PolarHBondContact O-N 3.29Å; F309-Q313 PolarHBondContact O-N 3.1Å
310H98.8Very high97.9Very high85 Ų8547 Ų4739%0.39423%0.231SC..Hα-helixtrans-60.9-42.6178.2-74.3-71.3000112.3P304 S306 K307 Q313 K314P304-H310 PolarHBondContact O-NE2 2.87Å; S306-H310 PolarHBondContact O-CD2 3.47Å; S306-H310 PolarHBondContact O-N 3.14Å; S306-H310 VanDerWaalsContact O-N 3.09Å; K307-H310 PolarHBondContact O-N 3.3Å; H310-Q313 PolarHBondContact O-N 3.11Å; H310-K314 WeakPolarHBondContact O-CG 3.39Å; H310-K314 PolarHBondContact O-N 2.99Å
311L98.9Very high98Very high0 Ų051.7 Ų51.70%026%0.255CS..Hα-helixtrans-62.6-44.9173.317856.9000111.4L132 F224 K307 F309 Q313 K314 L315 A329 D332 Y334 F335L132-L311 HydrophobicContact CD2-CD2 3.77Å; F224-L311 HydrophobicContact CE1-CB 4.46Å; F224-L311 HydrophobicContact CE1-CD2 4.43Å; F224-L311 HydrophobicContact CE1-CG 4.38Å; K307-L311 WeakPolarHBondContact O-CB 3.43Å; K307-L311 PolarHBondContact O-N 3.29Å; F309-L311 VanDerWaalsContact C-N 3.35Å; F309-L311 PolarHBondContact O-N 2.92Å; L311-Q313 VanDerWaalsContact C-N 3.3Å; L311-Q313 PolarHBondContact O-N 2.92Å; L311-K314 PolarHBondContact O-N 3.27Å; L311-L315 HydrophobicContact CD1-CD1 4.37Å; L311-L315 HydrophobicContact CD1-CG 4.35Å; L311-L315 HydrophobicContact CG-CD1 4.13Å; L311-L315 WeakPolarHBondContact O-CG 3.5Å; L311-L315 PolarHBondContact O-N 2.73Å; L311-A329 HydrophobicContact CD1-CB 4.05Å; L311-D332 HydrophobicContact CD1-CB 3.87Å; L311-D332 HydrophobicContact CD2-CB 4.32Å; L311-Y334 HydrophobicContact CD2-CD1 3.57Å; L311-Y334 HydrophobicContact CD2-CE1 4.41Å; L311-Y334 HydrophobicContact CD2-CG 4.17Å; L311-F335 HydrophobicContact CD2-CE2 3.79Å; L311-F335 HydrophobicContact CD2-CZ 3.93Å
312L98.9Very high98.1Very high0 Ų050.3 Ų50.30%025%0.245CC..Hα-helixtrans-57.6-42.4177.2178.663.5000112.2G221 F224 A225 L228 L293 M297 A308 F309 K314 L315 L316G221-L312 WeakPolarHBondContact O-CD1 3.31Å; F224-L312 HydrophobicContact CB-CD1 4.18Å; F224-L312 HydrophobicContact CD1-CB 3.85Å; F224-L312 HydrophobicContact CD1-CD1 3.76Å; F224-L312 HydrophobicContact CD1-CG 4.38Å; F224-L312 HydrophobicContact CE1-CB 3.87Å; F224-L312 HydrophobicContact CG-CD1 4.28Å; A225-L312 HydrophobicContact CB-CD1 3.98Å; A225-L312 HydrophobicContact CB-CD2 4.06Å; L228-L312 HydrophobicContact CD1-CD2 4.21Å; L293-L312 HydrophobicContact CD2-CG 4.42Å; M297-L312 HydrophobicContact CE-CD2 3.6Å; M297-L312 HydrophobicContact CG-CD2 4.2Å; M297-L312 HydrophobicContact SD-CD2 3.86Å; A308-L312 WeakPolarHBondContact O-CB 3.31Å; A308-L312 PolarHBondContact O-N 3.2Å; F309-L312 WeakPolarHBondContact O-CB 3.32Å; F309-L312 PolarHBondContact O-N 3.29Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 2.82Å; L312-L315 PolarHBondContact O-N 3.44Å; L312-L316 HydrophobicContact CD1-CD1 3.67Å; L312-L316 HydrophobicContact CD1-CG 4.01Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 WeakPolarHBondContact O-CB 3.47Å; L312-L316 PolarHBondContact O-N 2.88Å
313Q98.8Very high98.3Very high83 Ų8350.1 Ų50.139%0.38824%0.243SC..Hα-helixtrans-63.7-37.6178.7-171.5177.342.200112.3L293 F309 H310 L311 L316 T317L293-Q313 HydrophobicContact CD2-CB 4.24Å; L293-Q313 HydrophobicContact CD2-CG 4.45Å; F309-Q313 PolarHBondContact O-N 3.1Å; H310-Q313 PolarHBondContact O-N 3.11Å; L311-Q313 VanDerWaalsContact C-N 3.3Å; L311-Q313 PolarHBondContact O-N 2.92Å; Q313-L316 CarbonylContact O-C 3.29Å; Q313-T317 PolarHBondContact O-N 3.32Å; Q313-T317 PolarHBondContact O-OG1 3.24Å
314K98.9Very high98.3Very high85 Ų8544.3 Ų44.337%0.3722%0.218SC..Hα-helixtrans-66.8-38.6174.8-64.7173.6-168.11740112H310 L311 L312 T317 I324 D332H310-K314 WeakPolarHBondContact O-CG 3.39Å; H310-K314 PolarHBondContact O-N 2.99Å; L311-K314 PolarHBondContact O-N 3.27Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 2.82Å; K314-T317 PolarHBondContact O-OG1 3.27Å; K314-I324 HydrophobicContact CB-CB 4.11Å; K314-I324 HydrophobicContact CB-CD1 4.31Å; K314-I324 HydrophobicContact CB-CG2 3.89Å; K314-I324 HydrophobicContact CD-CD1 3.91Å; K314-I324 PolarHBondContact O-N 3.45Å; K314-D332 IonicContact NZ-OD2 3.34Å; K314-D332 PolarHBondContact NZ-OD2 3.3Å
315L98.9Very high98.4Very high0 Ų045.8 Ų45.80%023%0.227CC..Hα-helixtrans-68.9-42.5176.2-66.3167.5000112I217 F224 L311 L312 T317 R323 I324 A329I217-L315 HydrophobicContact CG2-CB 4.48Å; I217-L315 HydrophobicContact CG2-CD2 3.48Å; I217-L315 VanDerWaalsContact CG2-CD2 3.48Å; F224-L315 HydrophobicContact CD1-CD1 3.98Å; L311-L315 HydrophobicContact CD1-CD1 4.37Å; L311-L315 HydrophobicContact CD1-CG 4.35Å; L311-L315 HydrophobicContact CG-CD1 4.13Å; L311-L315 WeakPolarHBondContact O-CG 3.5Å; L311-L315 PolarHBondContact O-N 2.73Å; L312-L315 PolarHBondContact O-N 3.44Å; L315-T317 VanDerWaalsContact C-N 3.3Å; L315-T317 PolarHBondContact O-N 3.44Å; L315-R323 VanDerWaalsContact O-CD 3.28Å; L315-R323 WeakPolarHBondContact O-CD 3.38Å; L315-R323 VanDerWaalsContact O-CG 3.26Å; L315-R323 WeakPolarHBondContact O-CG 3.28Å; L315-I324 HydrophobicContact CD2-CG2 3.78Å; L315-I324 HydrophobicContact CG-CG2 4.25Å; L315-A329 HydrophobicContact CD2-CB 4.18Å
316L98.8Very high98.5Very high1 Ų140.3 Ų40.31%0.00520%0.198CC..THydrogen-bonded Turntrans-92.332.9180-67.7-178.2000113.4W218 I233 F234 M259 L293 L312 Q313 M318W218-L316 HydrophobicContact CD2-CD2 3.98Å; W218-L316 HydrophobicContact CE3-CD2 3.99Å; W218-L316 HydrophobicContact CH2-CD2 4.42Å; W218-L316 HydrophobicContact CZ2-CD2 4.41Å; W218-L316 HydrophobicContact CZ3-CB 4.34Å; W218-L316 HydrophobicContact CZ3-CD2 4.22Å; W218-L316 WeakPolarHBondContact CZ3-O 3.5Å; I233-L316 HydrophobicContact CD1-CD1 3.85Å; F234-L316 HydrophobicContact CE2-CD1 4.48Å; F234-L316 HydrophobicContact CE2-CD2 4.04Å; F234-L316 HydrophobicContact CZ-CD1 4.27Å; F234-L316 HydrophobicContact CZ-CD2 4.4Å; M259-L316 HydrophobicContact CE-CB 4.08Å; M259-L316 WeakPolarHBondContact CE-O 3.26Å; L293-L316 HydrophobicContact CD1-CD1 4.45Å; L293-L316 HydrophobicContact CD2-CB 4.5Å; L312-L316 HydrophobicContact CD1-CD1 3.67Å; L312-L316 HydrophobicContact CD1-CG 4.01Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 WeakPolarHBondContact O-CB 3.47Å; L312-L316 PolarHBondContact O-N 2.88Å; Q313-L316 CarbonylContact O-C 3.29Å; L316-M318 PolarHBondContact O-N 3.16Å
317T98.8Very high98.5Very high36 Ų3643.6 Ų43.622%0.22121%0.21CC..  trans-73.2126.9170.9-66.40000109.8Q313 K314 L315 R322 R323Q313-T317 PolarHBondContact O-N 3.32Å; Q313-T317 PolarHBondContact O-OG1 3.24Å; K314-T317 PolarHBondContact O-OG1 3.27Å; L315-T317 VanDerWaalsContact C-N 3.3Å; L315-T317 PolarHBondContact O-N 3.44Å; T317-R322 HydrophobicContact CG2-CB 3.79Å; T317-R323 PolarHBondContact O-NE 3.25Å; T317-R323 PolarHBondContact O-NH2 3.3Å; T317-R323 VanDerWaalsContact O-NH2 3.12Å
318M98.3Very high98.5Very high25 Ų2544.7 Ų44.712%0.12322%0.216CC..SBendtrans-63.9-46.6-174.4-74.8-172.5-87.300112.3W218 M259 P262 W267 L316 P320 R323W218-M318 HydrophobicContact CH2-CG 4.44Å; W218-M318 HydrophobicContact CZ3-CG 4.4Å; M259-M318 HydrophobicContact CB-CE 4.2Å; M259-M318 HydrophobicContact CB-SD 4.29Å; P262-M318 HydrophobicContact CB-CE 3.7Å; P262-M318 HydrophobicContact CB-SD 3.99Å; P262-M318 HydrophobicContact CG-CE 4.27Å; P262-M318 HydrophobicContact CG-SD 4Å; W267-M318 HydrophobicContact CE3-CB 4.19Å; L316-M318 PolarHBondContact O-N 3.16Å; M318-P320 WeakPolarHBondContact O-CD 3.3Å; M318-R323 PolarHBondContact O-NH2 3.07Å
319D98.3Very high98.6Very high7 Ų744.1 Ų44.14%0.03721%0.211CC..SBendtrans-69.4116.4175.9-172.9-10.3000110.8D266 W267 I321 R322 R323D266-D319 WeakPolarHBondContact O-CB 3.14Å; W267-D319 HydrophobicContact CB-CB 3.88Å; W267-D319 HydrophobicContact CD2-CB 4.42Å; W267-D319 HydrophobicContact CG-CB 3.75Å; D319-I321 PolarHBondContact O-N 2.53Å; D319-I321 WeakPolarHBondContact OD1-CG1 3.36Å; D319-I321 PolarHBondContact OD1-N 3.28Å; D319-R322 HydrophobicContact CB-CB 4.26Å; D319-R322 HydrophobicContact CB-CG 4.18Å; D319-R322 PolarHBondContact O-N 2.89Å; D319-R322 VanDerWaalsContact O-N 3.14Å; D319-R323 PolarHBondContact O-N 3.46Å
320P97.3Very high98.6Very high25 Ų2545.5 Ų45.516%0.16222%0.218CC..THydrogen-bonded Turntrans-61.2-26.7-176.724.2-34.9000114.1E203 A214 M318 R322E203-P320 HydrophobicContact CB-CG 4.38Å; E203-P320 HydrophobicContact CG-CB 4.47Å; E203-P320 HydrophobicContact CG-CG 4.3Å; A214-P320 HydrophobicContact CB-CB 3.94Å; A214-P320 WeakPolarHBondContact CB-O 3.19Å; M318-P320 WeakPolarHBondContact O-CD 3.3Å; P320-R322 VanDerWaalsContact C-N 3.32Å
321I97.2Very high98.5Very high130 Ų13047.8 Ų47.867%0.66723%0.229SC*.THydrogen-bonded Turntrans-80-18-179.276.7-172.7000112.7D319D319-I321 PolarHBondContact O-N 2.53Å; D319-I321 WeakPolarHBondContact OD1-CG1 3.36Å; D319-I321 PolarHBondContact OD1-N 3.28Å
322R98.1Very high98.5Very high145 Ų14548.1 Ų48.155%0.54723%0.231SC..THydrogen-bonded Turntrans-97.7-6.9177.7-60.5179.968.5174.26112.4K265 D266 T317 D319 P320K265-R322 PolarHBondContact O-NH1 2.99Å; D266-R322 PolarHBondContact O-NH1 2.94Å; T317-R322 HydrophobicContact CG2-CB 3.79Å; D319-R322 HydrophobicContact CB-CB 4.26Å; D319-R322 HydrophobicContact CB-CG 4.18Å; D319-R322 PolarHBondContact O-N 2.89Å; D319-R322 VanDerWaalsContact O-N 3.14Å; P320-R322 VanDerWaalsContact C-N 3.32Å
323R98.6Very high98.5Very high13 Ų1351.4 Ų51.45%0.04925%0.252CS..SBendtrans-72.1133.1177.9-159.3176.5-62142.44.4109.6E203 A214 I217 L315 T317 M318 D319E203-R323 IonicContact OE1-CZ 2.89Å; E203-R323 IonicContact OE1-NH1 2.86Å; E203-R323 PolarHBondContact OE1-NH1 3.44Å; E203-R323 IonicContact OE1-NH2 2.69Å; E203-R323 PolarHBondContact OE1-NH2 2.77Å; E203-R323 IonicContact OE2-CZ 2.98Å; E203-R323 IonicContact OE2-NH1 3.56Å; E203-R323 IonicContact OE2-NH2 2.74Å; E203-R323 PolarHBondContact OE2-NH2 2.76Å; A214-R323 VanDerWaalsContact O-CD 3.3Å; A214-R323 WeakPolarHBondContact O-CD 3.28Å; A214-R323 PolarHBondContact O-NH1 2.95Å; I217-R323 HydrophobicContact CB-CG 4.44Å; I217-R323 HydrophobicContact CG2-CG 3.96Å; L315-R323 VanDerWaalsContact O-CD 3.28Å; L315-R323 WeakPolarHBondContact O-CD 3.38Å; L315-R323 VanDerWaalsContact O-CG 3.26Å; L315-R323 WeakPolarHBondContact O-CG 3.28Å; T317-R323 PolarHBondContact O-NE 3.25Å; T317-R323 PolarHBondContact O-NH2 3.3Å; T317-R323 VanDerWaalsContact O-NH2 3.12Å; M318-R323 PolarHBondContact O-NH2 3.07Å; D319-R323 PolarHBondContact O-N 3.46Å
324I98.8Very high98.5Very high21 Ų2148 Ų4811%0.10824%0.235CC..PPolyproline II helixtrans-61.1151.1-179.4-166.7166.3000111.5I217 K314 L315 Q328 A329I217-I324 HydrophobicContact CG2-CG2 4.43Å; I217-I324 WeakPolarHBondContact CG2-O 3.21Å; K314-I324 HydrophobicContact CB-CB 4.11Å; K314-I324 HydrophobicContact CB-CD1 4.31Å; K314-I324 HydrophobicContact CB-CG2 3.89Å; K314-I324 HydrophobicContact CD-CD1 3.91Å; K314-I324 PolarHBondContact O-N 3.45Å; L315-I324 HydrophobicContact CD2-CG2 3.78Å; L315-I324 HydrophobicContact CG-CG2 4.25Å; I324-Q328 HydrophobicContact CD1-CB 3.66Å; I324-Q328 HydrophobicContact CG1-CB 3.27Å; I324-Q328 HydrophobicContact CG1-CG 4.32Å; I324-A329 HydrophobicContact CD1-CB 4.41Å; I324-A329 HydrophobicContact CG2-CB 4.37Å
325T98.8Very high98.5Very high61 Ų6144.3 Ų44.337%0.37422%0.22SC..PPolyproline II helixtrans-81.5166.9171.9710000111.8E327 Q328 A329T325-E327 VanDerWaalsContact C-N 3.33Å; T325-E327 PolarHBondContact O-N 2.69Å; T325-Q328 PolarHBondContact O-N 3.22Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.36Å; T325-Q328 PolarHBondContact OG1-N 3.02Å; T325-Q328 PolarHBondContact OG1-OE1 3.23Å; T325-A329 WeakPolarHBondContact O-CB 3.4Å; T325-A329 PolarHBondContact O-N 3.25Å
326S98.6Very high98.5Very high5 Ų550.8 Ų50.84%0.03525%0.253CS..Hα-helixtrans-60.3-41.7173.846.60000112.4H140 A329 M330H140-S326 WeakPolarHBondContact CA-OG 3.44Å; S326-A329 PolarHBondContact O-N 3.32Å; S326-M330 WeakPolarHBondContact O-CG 3.32Å; S326-M330 PolarHBondContact O-N 3.09Å
327E98.5Very high98.4Very high102 Ų10254.1 Ų54.148%0.47727%0.269SS..Hα-helixtrans-60.6-50.9176.6-179.5-179.2-168.600111.9T325 A329 M330 Q331T325-E327 VanDerWaalsContact C-N 3.33Å; T325-E327 PolarHBondContact O-N 2.69Å; E327-A329 VanDerWaalsContact C-N 3.26Å; E327-A329 PolarHBondContact O-N 3.19Å; E327-M330 PolarHBondContact O-N 3.32Å; E327-Q331 WeakPolarHBondContact O-CG 3.3Å; E327-Q331 PolarHBondContact O-N 3.1Å
328Q98.8Very high98.3Very high100 Ų10059.2 Ų59.247%0.46729%0.29SS..Hα-helixtrans-62.6-35.9178.4-71.4171.2-29.900111.4I324 T325 Q331 D332I324-Q328 HydrophobicContact CD1-CB 3.66Å; I324-Q328 HydrophobicContact CG1-CB 3.27Å; I324-Q328 HydrophobicContact CG1-CG 4.32Å; T325-Q328 PolarHBondContact O-N 3.22Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.36Å; T325-Q328 PolarHBondContact OG1-N 3.02Å; T325-Q328 PolarHBondContact OG1-OE1 3.23Å; Q328-Q331 PolarHBondContact O-N 3.04Å; Q328-D332 PolarHBondContact O-N 2.9Å
329A98.8Very high98.2Very high0 Ų061 Ų610%030%0.304CS..Hα-helixtrans-65.9-43.4175.500000111.8L136 L311 L315 I324 T325 S326 E327 Q331 D332 F335L136-A329 HydrophobicContact CD1-CB 3.79Å; L136-A329 HydrophobicContact CD2-CB 3.85Å; L136-A329 HydrophobicContact CG-CB 4.47Å; L311-A329 HydrophobicContact CD1-CB 4.05Å; L315-A329 HydrophobicContact CD2-CB 4.18Å; I324-A329 HydrophobicContact CD1-CB 4.41Å; I324-A329 HydrophobicContact CG2-CB 4.37Å; T325-A329 WeakPolarHBondContact O-CB 3.4Å; T325-A329 PolarHBondContact O-N 3.25Å; S326-A329 PolarHBondContact O-N 3.32Å; E327-A329 VanDerWaalsContact C-N 3.26Å; E327-A329 PolarHBondContact O-N 3.19Å; A329-Q331 PolarHBondContact O-N 3.47Å; A329-D332 WeakPolarHBondContact O-CB 3.4Å; A329-D332 PolarHBondContact O-N 3.17Å; A329-F335 WeakPolarHBondContact O-CD2 3.07Å; A329-F335 WeakPolarHBondContact O-CE2 3.36Å
330M98.8Very high98.2Very high32 Ų3264.7 Ų64.716%0.15832%0.323CS..Hα-helixtrans-61.9-26.6176.9-70.2170.970.200113.2Y133 L136 D137 H140 S326 E327 D332Y133-M330 HydrophobicContact CE1-CE 4.34Å; Y133-M330 HydrophobicContact CE2-CB 4.24Å; Y133-M330 HydrophobicContact CE2-CE 4.43Å; Y133-M330 HydrophobicContact CE2-CG 4.46Å; L136-M330 HydrophobicContact CB-CG 3.62Å; L136-M330 HydrophobicContact CB-SD 4.29Å; L136-M330 HydrophobicContact CD1-CG 4.4Å; D137-M330 HydrophobicContact CB-CE 3.75Å; D137-M330 HydrophobicContact CB-SD 4.32Å; D137-M330 WeakPolarHBondContact OD1-CE 3.07Å; H140-M330 HydrophobicContact CB-SD 3.98Å; S326-M330 WeakPolarHBondContact O-CG 3.32Å; S326-M330 PolarHBondContact O-N 3.09Å; E327-M330 PolarHBondContact O-N 3.32Å; M330-D332 VanDerWaalsContact C-N 3.32Å
331Q98.6Very high98.3Very high132 Ų13265.3 Ų65.362%0.61733%0.327SS*.THydrogen-bonded Turntrans-85.1-0.7176-65.8173.61.500113.4E327 Q328 A329E327-Q331 WeakPolarHBondContact O-CG 3.3Å; E327-Q331 PolarHBondContact O-N 3.1Å; Q328-Q331 PolarHBondContact O-N 3.04Å; A329-Q331 PolarHBondContact O-N 3.47Å
332D98.8Very high98.3Very high8 Ų861.7 Ų61.74%0.04331%0.311CS..SBendtrans-66.4140.5-176.7-169-82.2000111.9L311 K314 Q328 A329 M330 Y334 F335L311-D332 HydrophobicContact CD1-CB 3.87Å; L311-D332 HydrophobicContact CD2-CB 4.32Å; K314-D332 IonicContact NZ-OD2 3.34Å; K314-D332 PolarHBondContact NZ-OD2 3.3Å; Q328-D332 PolarHBondContact O-N 2.9Å; A329-D332 WeakPolarHBondContact O-CB 3.4Å; A329-D332 PolarHBondContact O-N 3.17Å; M330-D332 VanDerWaalsContact C-N 3.32Å; D332-Y334 PolarHBondContact O-N 3.36Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.36Å; D332-Y334 PolarHBondContact OD1-N 2.8Å; D332-F335 PolarHBondContact O-N 3.39Å
333P98.6Very high98.3Very high68 Ų6859.2 Ų59.244%0.44232%0.316SS..G310 helixtrans-55.9-17.2178.3-27.835.8000115.3K307 F335 L336 E337K307-P333 HydrophobicContact CD-CB 4.08Å; P333-F335 PolarHBondContact O-N 3.35Å; P333-L336 PolarHBondContact O-N 3.41Å; P333-L336 VanDerWaalsContact O-N 3.16Å; P333-E337 PolarHBondContact O-N 3.24Å; P333-E337 VanDerWaalsContact O-N 3.16Å
334Y98.8Very high98.3Very high11 Ų1160 Ų604%0.04332%0.321CS..G310 helixtrans-53.9-37.1170.5176.3-120.4000112.7K129 L132 F224 K307 A308 L311 D332 L336K129-Y334 HydrophobicContact CB-CE1 4.06Å; K129-Y334 WeakPolarHBondContact CB-OH 3.45Å; K129-Y334 HydrophobicContact CD-CE1 4.33Å; K129-Y334 VanDerWaalsContact CE-CE2 3.47Å; K129-Y334 VanDerWaalsContact CE-O 3.23Å; K129-Y334 WeakPolarHBondContact CE-O 3.41Å; K129-Y334 HydrophobicContact CG-CD1 4.23Å; K129-Y334 HydrophobicContact CG-CE1 3.62Å; K129-Y334 PolarHBondContact NZ-O 2.77Å; L132-Y334 HydrophobicContact CD2-CD1 4.5Å; L132-Y334 HydrophobicContact CD2-CE1 4.15Å; F224-Y334 HydrophobicContact CE2-CE1 4.3Å; F224-Y334 AromaticContact CZ-CE1 3.88Å; F224-Y334 HydrophobicContact CZ-CE1 3.88Å; K307-Y334 HydrophobicContact CB-CD2 4.15Å; A308-Y334 HydrophobicContact CB-CD2 3.97Å; A308-Y334 HydrophobicContact CB-CE2 3.55Å; L311-Y334 HydrophobicContact CD2-CD1 3.57Å; L311-Y334 HydrophobicContact CD2-CE1 4.41Å; L311-Y334 HydrophobicContact CD2-CG 4.17Å; D332-Y334 PolarHBondContact O-N 3.36Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.36Å; D332-Y334 PolarHBondContact OD1-N 2.8Å; Y334-L336 VanDerWaalsContact C-N 3.35Å
335F98.7Very high98.3Very high8 Ų859 Ų594%0.03532%0.316CS..G310 helixtrans-82.1-13.4-179.7-62.3-58.8000114K129 L132 Y133 L136 L311 A329 D332 P333 L340 P341K129-F335 HydrophobicContact CD-CD1 4.18Å; K129-F335 HydrophobicContact CG-CD1 3.65Å; K129-F335 HydrophobicContact CG-CE1 3.84Å; L132-F335 HydrophobicContact CB-CE1 4.47Å; L132-F335 HydrophobicContact CB-CZ 4.4Å; L132-F335 HydrophobicContact CD2-CE1 4.33Å; L132-F335 HydrophobicContact CD2-CZ 3.78Å; L132-F335 HydrophobicContact CG-CE1 4.45Å; L132-F335 HydrophobicContact CG-CZ 3.91Å; Y133-F335 HydrophobicContact CD2-CB 4.19Å; Y133-F335 AromaticContact CD2-CD1 3.64Å; Y133-F335 HydrophobicContact CD2-CD1 3.64Å; Y133-F335 AromaticContact CD2-CD2 3.9Å; Y133-F335 HydrophobicContact CD2-CD2 3.9Å; Y133-F335 AromaticContact CD2-CE1 3.89Å; Y133-F335 HydrophobicContact CD2-CE1 3.89Å; Y133-F335 HydrophobicContact CD2-CE2 4.13Å; Y133-F335 AromaticContact CD2-CG 3.63Å; Y133-F335 HydrophobicContact CD2-CG 3.63Å; Y133-F335 HydrophobicContact CD2-CZ 4.12Å; Y133-F335 HydrophobicContact CE2-CB 4.4Å; Y133-F335 HydrophobicContact CE2-CD2 4.37Å; Y133-F335 HydrophobicContact CE2-CG 4.22Å; Y133-F335 HydrophobicContact CG-CD1 4.28Å; Y133-F335 HydrophobicContact CG-CE1 4.3Å; L136-F335 HydrophobicContact CD1-CE2 3.76Å; L136-F335 HydrophobicContact CD1-CZ 3.7Å; L311-F335 HydrophobicContact CD2-CE2 3.79Å; L311-F335 HydrophobicContact CD2-CZ 3.93Å; A329-F335 WeakPolarHBondContact O-CD2 3.07Å; A329-F335 WeakPolarHBondContact O-CE2 3.36Å; D332-F335 PolarHBondContact O-N 3.39Å; P333-F335 PolarHBondContact O-N 3.35Å; F335-L340 WeakPolarHBondContact O-CD2 3.28Å; F335-P341 HydrophobicContact CB-CG 4.18Å; F335-P341 HydrophobicContact CD1-CG 3.76Å; F335-P341 HydrophobicContact CG-CG 4.39Å; F335-P341 VanDerWaalsContact O-CD 3.31Å; F335-P341 WeakPolarHBondContact O-CD 3.48Å
336L98Very high98.3Very high136 Ų13656.8 Ų56.871%0.71230%0.301SS*.THydrogen-bonded Turntrans-92.8-14173.9-55.2179.5000112.6P333 Y334P333-L336 PolarHBondContact O-N 3.41Å; P333-L336 VanDerWaalsContact O-N 3.16Å; Y334-L336 VanDerWaalsContact C-N 3.35Å
337E97.9Very high98.2Very high72 Ų7259.6 Ų59.634%0.33633%0.325SS..SBendtrans-79.3143.2176.3-177.3172.5-94.400111.3K129 K307 P333 P339K129-E337 PolarHBondContact NZ-O 3.44Å; K307-E337 HydrophobicContact CD-CB 4.09Å; K307-E337 WeakPolarHBondContact CD-OE1 3.46Å; K307-E337 WeakPolarHBondContact CE-OE1 3.42Å; K307-E337 IonicContact NZ-OE1 3.8Å; K307-E337 PolarHBondContact NZ-OE1 2.74Å; P333-E337 PolarHBondContact O-N 3.24Å; P333-E337 VanDerWaalsContact O-N 3.16Å; E337-P339 CarbonylContact O-C 3.49Å; E337-P339 VanDerWaalsContact O-C 3.29Å
338E96Very high98.1Very high143 Ų14357.6 Ų57.667%0.66833%0.332SS*.SBendtrans-66.7142.7172.5-71-65.7169.700112.1L340E338-L340 PolarHBondContact OE2-N 3.04Å
339P96.7Very high98Very high63 Ų6356.8 Ų56.841%0.40934%0.336SS..SBendcis-70.2142.4-8.130.2-35.2000111.5K129 E337K129-P339 WeakPolarHBondContact CD-O 3.38Å; K129-P339 VanDerWaalsContact CE-O 3.32Å; K129-P339 WeakPolarHBondContact CE-O 3.5Å; K129-P339 PolarHBondContact NZ-O 3.13Å; E337-P339 CarbonylContact O-C 3.49Å; E337-P339 VanDerWaalsContact O-C 3.29Å
340L98.3Very high97.9Very high84 Ų8465.3 Ų65.344%0.4438%0.376SS..PPolyproline II helixtrans-67153.4172.4-63-179.8000112.2F335 E338F335-L340 WeakPolarHBondContact O-CD2 3.28Å; E338-L340 PolarHBondContact OE2-N 3.04Å
341P98.5Very high97.9Very high37 Ų3765 Ų6524%0.2438%0.375CS..PPolyproline II helixtrans-58.2144.2170.3-20.831.6000112.2K129 Y133 F335K129-P341 HydrophobicContact CD-CG 4.1Å; K129-P341 HydrophobicContact CG-CG 4.1Å; Y133-P341 HydrophobicContact CD1-CB 4.38Å; Y133-P341 HydrophobicContact CD2-CG 4.18Å; Y133-P341 HydrophobicContact CG-CB 4.09Å; Y133-P341 HydrophobicContact CG-CG 4.13Å; F335-P341 HydrophobicContact CB-CG 4.18Å; F335-P341 HydrophobicContact CD1-CG 3.76Å; F335-P341 HydrophobicContact CG-CG 4.39Å; F335-P341 VanDerWaalsContact O-CD 3.31Å; F335-P341 WeakPolarHBondContact O-CD 3.48Å
342T98.6Very high97.7Very high54 Ų5461.9 Ų61.933%0.33137%0.366SS..  trans-121.2147.2-179.955.50000111S130 Q134 D344S130-T342 WeakPolarHBondContact CB-O 3.26Å; S130-T342 PolarHBondContact OG-N 3.13Å; S130-T342 PolarHBondContact OG-OG1 3.37Å; Q134-T342 PolarHBondContact NE2-O 3.15Å; T342-D344 VanDerWaalsContact C-N 3.34Å; T342-D344 WeakPolarHBondContact CB-O 3.42Å; T342-D344 PolarHBondContact OG1-O 2.99Å
343S98.2Very high97.6Very high93 Ų9362.4 Ų62.465%0.6537%0.368SS*.SBendtrans-65.7-36.7176.4-55.20000112.8Q134Q134-S343 PolarHBondContact NE2-O 3.14Å
344D98.6Very high97.4Very high30 Ų3063.5 Ų63.516%0.1638%0.375CS..SBendtrans-92.7109.5165.9171.99.8000108.1R166 G167 T342 F346 A347 G348R166-D344 IonicContact CZ-OD2 2.77Å; R166-D344 IonicContact NH1-OD1 2.76Å; R166-D344 IonicContact NH1-OD2 3.96Å; R166-D344 PolarHBondContact NH1-OD2 2.72Å; R166-D344 WeakPolarHBondContact O-CA 3.22Å; R166-D344 WeakPolarHBondContact O-CB 3.45Å; G167-D344 WeakPolarHBondContact CA-OD1 3.45Å; T342-D344 VanDerWaalsContact C-N 3.34Å; T342-D344 WeakPolarHBondContact CB-O 3.42Å; T342-D344 PolarHBondContact OG1-O 2.99Å; D344-F346 PolarHBondContact O-N 3.48Å; D344-F346 VanDerWaalsContact O-N 3.17Å; D344-F346 WeakPolarHBondContact OD1-CA 3.34Å; D344-F346 WeakPolarHBondContact OD1-CB 3.38Å; D344-F346 WeakPolarHBondContact OD1-CD2 3.47Å; D344-F346 PolarHBondContact OD1-N 3.17Å; D344-A347 PolarHBondContact O-N 3.27Å; D344-G348 PolarHBondContact OD2-N 3.36Å
345V98.6Very high97.3Very high1 Ų169.9 Ų69.91%0.00640%0.403CS..THydrogen-bonded Turntrans-65.3-17-179-57.70000113.6M127 L131 V159 G167 V169 A347M127-V345 WeakPolarHBondContact CA-O 3.46Å; M127-V345 VanDerWaalsContact CB-O 3.28Å; M127-V345 WeakPolarHBondContact CB-O 3.44Å; M127-V345 HydrophobicContact CE-CG2 4.36Å; M127-V345 HydrophobicContact CG-CB 4.23Å; M127-V345 HydrophobicContact CG-CG2 4.34Å; M127-V345 VanDerWaalsContact CG-O 3.31Å; M127-V345 WeakPolarHBondContact CG-O 3.34Å; L131-V345 HydrophobicContact CD2-CB 4.18Å; L131-V345 HydrophobicContact CD2-CG1 3.88Å; L131-V345 HydrophobicContact CD2-CG2 3.93Å; L131-V345 HydrophobicContact CG-CB 4.15Å; L131-V345 HydrophobicContact CG-CG1 4.03Å; L131-V345 HydrophobicContact CG-CG2 4.28Å; V159-V345 HydrophobicContact CG1-CG2 3.9Å; G167-V345 VanDerWaalsContact O-CG1 3.3Å; G167-V345 WeakPolarHBondContact O-CG1 3.42Å; G167-V345 VanDerWaalsContact O-CG2 3.29Å; G167-V345 WeakPolarHBondContact O-CG2 3.15Å; G167-V345 PolarHBondContact O-N 3.21Å; V169-V345 HydrophobicContact CG2-CG1 4.41Å; V345-A347 VanDerWaalsContact C-N 3.31Å
346F98.2Very high97Very high13 Ų1371.8 Ų71.86%0.05741%0.41CS..THydrogen-bonded Turntrans-87.5-2.5174-47.2-58.2000112.4M127 V159 G167 D344 G348 C349 I351 Y353M127-F346 HydrophobicContact CE-CD1 3.94Å; M127-F346 HydrophobicContact CE-CE1 3.6Å; M127-F346 HydrophobicContact SD-CD1 4.18Å; M127-F346 HydrophobicContact SD-CE1 4.43Å; V159-F346 HydrophobicContact CG1-CE1 4.36Å; V159-F346 HydrophobicContact CG1-CE2 3.91Å; V159-F346 HydrophobicContact CG1-CZ 3.53Å; G167-F346 VanDerWaalsContact CA-CE2 3.49Å; D344-F346 PolarHBondContact O-N 3.48Å; D344-F346 VanDerWaalsContact O-N 3.17Å; D344-F346 WeakPolarHBondContact OD1-CA 3.34Å; D344-F346 WeakPolarHBondContact OD1-CB 3.38Å; D344-F346 WeakPolarHBondContact OD1-CD2 3.47Å; D344-F346 PolarHBondContact OD1-N 3.17Å; F346-G348 VanDerWaalsContact C-N 3.27Å; F346-G348 PolarHBondContact O-N 3.1Å; F346-C349 VanDerWaalsContact O-CB 3.26Å; F346-C349 WeakPolarHBondContact O-CB 3.05Å; F346-C349 PolarHBondContact O-N 3.49Å; F346-I351 HydrophobicContact CD2-CD1 3.67Å; F346-I351 HydrophobicContact CD2-CG1 3.81Å; F346-I351 HydrophobicContact CE1-CG2 4.43Å; F346-I351 HydrophobicContact CE2-CD1 3.57Å; F346-I351 HydrophobicContact CE2-CG1 4.06Å; F346-I351 HydrophobicContact CE2-CG2 4.46Å; F346-I351 HydrophobicContact CG-CD1 4.48Å; F346-I351 HydrophobicContact CG-CG1 4.15Å; F346-I351 HydrophobicContact CZ-CD1 4.34Å; F346-I351 HydrophobicContact CZ-CG2 4.26Å; F346-Y353 HydrophobicContact CD1-CE2 4.03Å; F346-Y353 AromaticContact CE1-CD2 3.93Å; F346-Y353 HydrophobicContact CE1-CD2 3.93Å; F346-Y353 AromaticContact CE1-CE2 3.52Å; F346-Y353 HydrophobicContact CE1-CE2 3.52Å; F346-Y353 HydrophobicContact CZ-CD2 4.43Å; F346-Y353 HydrophobicContact CZ-CE2 4.43Å
347A97.2Very high96.7Very high65 Ų6573.3 Ų73.354%0.53741%0.413SS..THydrogen-bonded Turntrans51.839.2175.700000114D344 V345 C349D344-A347 PolarHBondContact O-N 3.27Å; V345-A347 VanDerWaalsContact C-N 3.31Å; A347-C349 PolarHBondContact O-N 3.35Å; A347-C349 VanDerWaalsContact O-N 3.12Å
348G96.3Very high96.5Very high60 Ų6075 Ų7562%0.61942%0.419SS*.THydrogen-bonded Turntrans71.2-4.2-176.600000115.3D344 F346D344-G348 PolarHBondContact OD2-N 3.36Å; F346-G348 VanDerWaalsContact C-N 3.27Å; F346-G348 PolarHBondContact O-N 3.1Å
349C96.6Very high96.2Very high83 Ų8371.6 Ų71.656%0.56141%0.406SS*.SBendtrans-71.3153.7174.8-58.50000111R166 F346 A347 I351R166-C349 PolarHBondContact NH1-O 2.77Å; R166-C349 PolarHBondContact NH2-O 2.82Å; F346-C349 VanDerWaalsContact O-CB 3.26Å; F346-C349 WeakPolarHBondContact O-CB 3.05Å; F346-C349 PolarHBondContact O-N 3.49Å; A347-C349 PolarHBondContact O-N 3.35Å; A347-C349 VanDerWaalsContact O-N 3.12Å; C349-I351 PolarHBondContact O-N 3.13Å
350Q96.8Very high95.5Very high178 Ų17873.3 Ų73.383%0.83242%0.415SS*.  trans-55.5135.2175.1-173.6178.91100111.3P352Q350-P352 VanDerWaalsContact O-CD 3.28Å; Q350-P352 WeakPolarHBondContact O-CD 3.39Å
351I97.3Very high93.8Very high25 Ų2576.3 Ų76.313%0.12843%0.427CS..  trans-78.4115.7177.9-50.1-177.4000109E162 F346 C349 Y353E162-I351 HydrophobicContact CG-CD1 4.25Å; E162-I351 WeakPolarHBondContact OE1-CD1 3.48Å; F346-I351 HydrophobicContact CD2-CD1 3.67Å; F346-I351 HydrophobicContact CD2-CG1 3.81Å; F346-I351 HydrophobicContact CE1-CG2 4.43Å; F346-I351 HydrophobicContact CE2-CD1 3.57Å; F346-I351 HydrophobicContact CE2-CG1 4.06Å; F346-I351 HydrophobicContact CE2-CG2 4.46Å; F346-I351 HydrophobicContact CG-CD1 4.48Å; F346-I351 HydrophobicContact CG-CG1 4.15Å; F346-I351 HydrophobicContact CZ-CD1 4.34Å; F346-I351 HydrophobicContact CZ-CG2 4.26Å; C349-I351 PolarHBondContact O-N 3.13Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 HydrophobicContact CG2-CD2 3.52Å; I351-Y353 HydrophobicContact CG2-CE2 4.3Å; I351-Y353 HydrophobicContact CG2-CG 4.28Å
352P95.2Very high91.7Very high68 Ų6883 Ų8344%0.44246%0.455SS..  trans-87.1-6.6-17836.2-36.1000113.1F110 Q350F110-P352 HydrophobicContact CE1-CB 4.47Å; F110-P352 HydrophobicContact CE1-CG 4.48Å; F110-P352 HydrophobicContact CZ-CB 4.35Å; Q350-P352 VanDerWaalsContact O-CD 3.28Å; Q350-P352 WeakPolarHBondContact O-CD 3.39Å
353Y96.1Very high89.1Confident19 Ų1984.5 Ų84.58%0.07546%0.458CS..SBendtrans-79.7134.4-172.7-49.6-61.5000110.8I107 F110 H111 M127 F346 I351I107-Y353 HydrophobicContact CB-CE1 4.35Å; I107-Y353 HydrophobicContact CD1-CD2 4.4Å; I107-Y353 HydrophobicContact CD1-CE2 4.4Å; I107-Y353 HydrophobicContact CG1-CD1 4.14Å; I107-Y353 HydrophobicContact CG1-CD2 3.98Å; I107-Y353 HydrophobicContact CG1-CE1 4.25Å; I107-Y353 HydrophobicContact CG1-CE2 4.14Å; I107-Y353 HydrophobicContact CG1-CG 4Å; I107-Y353 HydrophobicContact CG2-CE1 3.85Å; I107-Y353 HydrophobicContact CG2-CE2 4.4Å; F110-Y353 HydrophobicContact CB-CD1 4.19Å; F110-Y353 AromaticContact CD1-CD1 3.77Å; F110-Y353 HydrophobicContact CD1-CD1 3.77Å; F110-Y353 AromaticContact CD1-CE1 3.74Å; F110-Y353 HydrophobicContact CD1-CE1 3.74Å; F110-Y353 HydrophobicContact CE1-CD1 4.29Å; F110-Y353 HydrophobicContact CE1-CE1 4.24Å; F110-Y353 AromaticContact CG-CD1 3.97Å; F110-Y353 HydrophobicContact CG-CD1 3.97Å; F110-Y353 HydrophobicContact CG-CE1 4.34Å; H111-Y353 AromaticContact CD2-CE1 3.82Å; H111-Y353 AromaticContact NE2-CE1 3.4Å; H111-Y353 WeakPolarHBondContact NE2-CE1 3.49Å; H111-Y353 AromaticContact NE2-CZ 3.62Å; H111-Y353 PolarHBondContact NE2-OH 3.3Å; M127-Y353 HydrophobicContact CE-CE2 3.88Å; M127-Y353 WeakPolarHBondContact CE-OH 3.45Å; M127-Y353 HydrophobicContact SD-CE2 4.48Å; M127-Y353 PolarHBondContact SD-OH 2.93Å; M127-Y353 VanDerWaalsContact SD-OH 3.34Å; F346-Y353 HydrophobicContact CD1-CE2 4.03Å; F346-Y353 AromaticContact CE1-CD2 3.93Å; F346-Y353 HydrophobicContact CE1-CD2 3.93Å; F346-Y353 AromaticContact CE1-CE2 3.52Å; F346-Y353 HydrophobicContact CE1-CE2 3.52Å; F346-Y353 HydrophobicContact CZ-CD2 4.43Å; F346-Y353 HydrophobicContact CZ-CE2 4.43Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 HydrophobicContact CG2-CD2 3.52Å; I351-Y353 HydrophobicContact CG2-CE2 4.3Å; I351-Y353 HydrophobicContact CG2-CG 4.28Å
354P95.8Very high86.6Confident91 Ų9184.2 Ų84.259%0.59145%0.454SS*.PPolyproline II helixtrans-63.4152.2175.628.2-34.4000110.9
355K95.4Very high84.2Confident145 Ų14589.6 Ų89.663%0.6348%0.478SS*.PPolyproline II helixtrans-66.4160.7168.8-65.8-168.8176.2-1760110.5E101 E357E101-K355 HydrophobicContact CG-CB 4.34Å; E101-K355 HydrophobicContact CG-CG 3.99Å; E101-K355 WeakPolarHBondContact OE1-CA 3.31Å; E101-K355 WeakPolarHBondContact OE1-CB 3.25Å; K355-E357 PolarHBondContact O-N 3.31Å
356R93.3Very high81.5Confident47 Ų4793.4 Ų93.418%0.17750%0.499CS..PPolyproline II helixtrans-65.2135.2175.9-58.7-175-176.6-91.1-4.4110.1V27 Y99 A100 E101 H102 D103V27-R356 HydrophobicContact CB-CB 4.34Å; V27-R356 HydrophobicContact CG1-CB 4.22Å; Y99-R356 WeakPolarHBondContact OH-CD 3.41Å; A100-R356 PolarHBondContact O-NE 3.04Å; E101-R356 WeakPolarHBondContact O-CG 3.42Å; E101-R356 PolarHBondContact O-NE 3.46Å; E101-R356 PolarHBondContact OE1-N 3.2Å; E101-R356 VanDerWaalsContact OE1-N 3.1Å; H102-R356 PolarHBondContact O-NH2 3.02Å; D103-R356 IonicContact OD2-CZ 3.8Å; D103-R356 IonicContact OD2-NH1 3.88Å; D103-R356 PolarHBondContact OD2-NH1 3.03Å; D103-R356 IonicContact OD2-NH2 3.48Å; D103-R356 PolarHBondContact OD2-NH2 3.22Å
357E92.1Very high78.7Confident168 Ų16898 Ų9879%0.78552%0.519SS*.PPolyproline II helixtrans-79.6149171.6-66.4177.2-177.200110.2K355K355-E357 PolarHBondContact O-N 3.31Å
358F93.1Very high76Confident107 Ų10798.4 Ų98.447%0.46952%0.522SS..PPolyproline II helixtrans-80.1137.5173.6-61.4-51.2000111C25 K26 V27 K37C25-F358 HydrophobicContact CB-CD1 4.29Å; C25-F358 HydrophobicContact CB-CE1 3.91Å; C25-F358 HydrophobicContact CB-CZ 4.31Å; K26-F358 CarbonylContact O-C 3.52Å; K26-F358 VanDerWaalsContact O-CA 3.29Å; K26-F358 WeakPolarHBondContact O-CA 3.5Å; V27-F358 HydrophobicContact CG1-CD1 3.69Å; V27-F358 HydrophobicContact CG1-CE1 3.81Å; K37-F358 HydrophobicContact CB-CE1 4Å; K37-F358 HydrophobicContact CD-CE1 4.22Å; K37-F358 HydrophobicContact CD-CZ 4.31Å
359L89.4Confident73.3Confident73 Ų73101.2 Ų101.238%0.38252%0.519SS..PPolyproline II helixtrans-87.8120.4174.5-56.5177.1000108.7K26 R29K26-L359 HydrophobicContact CB-CB 4.47Å; K26-L359 HydrophobicContact CG-CB 4.42Å; K26-L359 PolarHBondContact O-N 3.14Å; R29-L359 HydrophobicContact CB-CD1 4.48Å
360T82.6Confident70.5Confident98 Ų98102.4 Ų102.460%0.60152%0.515SS*.PPolyproline II helixtrans-75.4145.7172.155.10000110.3E362 E363T360-E362 PolarHBondContact O-N 2.93Å; T360-E363 PolarHBondContact O-N 3.2Å
361E62.3Low67.9Low147 Ų14798 Ų9869%0.68750%0.5SS*.THydrogen-bonded Turntrans-69.6-14.9-174.3-50.1-155.6124.900113.7K26K26-E361 IonicContact NZ-OE1 2.73Å; K26-E361 PolarHBondContact NZ-OE1 3.29Å
362E53.3Low65.3Low179 Ų179103 Ų10384%0.83652%0.517SS*.THydrogen-bonded Turntrans-89.2-0.7-177.4-67.9-167.9161.300115T360 P364T360-E362 PolarHBondContact O-N 2.93Å; E362-P364 WeakPolarHBondContact O-CD 3.36Å; E362-P364 VanDerWaalsContact O-N 3.16Å
363E45.7Very low62.7Low85 Ų85104.9 Ų104.940%0.39752%0.523SS..  trans-72.4108.1175.3-71.4-117.5131.600109.9T360 K367T360-E363 PolarHBondContact O-N 3.2Å; E363-K367 WeakPolarHBondContact OE1-CD 3.41Å; E363-K367 IonicContact OE1-NZ 2.88Å; E363-K367 PolarHBondContact OE1-NZ 2.97Å
364P44Very low59.8Low86 Ų86111.3 Ų111.356%0.55855%0.552SS**  trans-67.2149.8173.4-7.827.3000107.9E362 D366 K367E362-P364 WeakPolarHBondContact O-CD 3.36Å; E362-P364 VanDerWaalsContact O-N 3.16Å; P364-D366 PolarHBondContact O-N 3.39Å; P364-K367 PolarHBondContact O-N 3.39Å
365E48.7Very low57.1Low143 Ų143113.3 Ų113.367%0.66856%0.557SS**THydrogen-bonded Turntrans-41.8-27.9-177.3-66.5175.6159.100114.2R29 K367R29-E365 IonicContact NH2-OE1 2.64Å; E365-K367 PolarHBondContact O-N 2.88Å
366D41.8Very low54.8Low82 Ų82113.2 Ų113.244%0.43956%0.559SS.*Hα-helixtrans-61.1-28.2178.4-96.116.8000117P364 K370P364-D366 PolarHBondContact O-N 3.39Å; D366-K370 HydrophobicContact CB-CD 4.34Å; D366-K370 WeakPolarHBondContact O-CB 3.38Å; D366-K370 WeakPolarHBondContact O-CD 3.33Å; D366-K370 WeakPolarHBondContact O-CG 3.36Å; D366-K370 PolarHBondContact O-N 3.48Å; D366-K370 IonicContact OD2-NZ 2.69Å; D366-K370 PolarHBondContact OD2-NZ 3.36Å
367K39.2Very low52.2Low109 Ų109119.1 Ų119.147%0.47459%0.589SS.*Hα-helixtrans-82.8-35.8-175.2-86.2-175.1179.5176.50113.4E363 P364 E365 E369 K370 V371E363-K367 WeakPolarHBondContact OE1-CD 3.41Å; E363-K367 IonicContact OE1-NZ 2.88Å; E363-K367 PolarHBondContact OE1-NZ 2.97Å; P364-K367 PolarHBondContact O-N 3.39Å; E365-K367 PolarHBondContact O-N 2.88Å; K367-E369 VanDerWaalsContact C-N 3.29Å; K367-E369 PolarHBondContact O-N 3.07Å; K367-K370 PolarHBondContact O-N 2.92Å; K367-V371 VanDerWaalsContact O-CB 3.27Å; K367-V371 WeakPolarHBondContact O-CB 3.07Å; K367-V371 WeakPolarHBondContact O-CG2 3.36Å; K367-V371 PolarHBondContact O-N 3.18Å
368A40.4Very low49.5Very low74 Ų74120.5 Ų120.561%0.61260%0.595SS**Hα-helixtrans-65-36.417300000111.1R372A368-R372 WeakPolarHBondContact O-CB 3.36Å; A368-R372 PolarHBondContact O-N 3.19Å; A368-R372 VanDerWaalsContact O-N 3.15Å
369E41.3Very low46.7Very low118 Ų118118.5 Ų118.555%0.55161%0.605SS**Hα-helixtrans-74.4-40172.4-79.7-171.115500113.4K367 R372 N373K367-E369 VanDerWaalsContact C-N 3.29Å; K367-E369 PolarHBondContact O-N 3.07Å; E369-R372 CarbonylContact O-C 2.85Å; E369-R372 WeakPolarHBondContact O-CA 3.48Å; E369-R372 VanDerWaalsContact O-CB 3.23Å; E369-R372 WeakPolarHBondContact O-CB 3.39Å; E369-R372 PolarHBondContact O-N 3.43Å; E369-N373 WeakPolarHBondContact O-CB 3.09Å; E369-N373 PolarHBondContact O-N 2.95Å
370K36.8Very low44.1Very low109 Ų109122.1 Ų122.147%0.47463%0.625SS.*Hα-helixtrans-72.3-29.4176.7-76.4166.9179158.90113.2D366 K367 N373 K374D366-K370 HydrophobicContact CB-CD 4.34Å; D366-K370 WeakPolarHBondContact O-CB 3.38Å; D366-K370 WeakPolarHBondContact O-CD 3.33Å; D366-K370 WeakPolarHBondContact O-CG 3.36Å; D366-K370 PolarHBondContact O-N 3.48Å; D366-K370 IonicContact OD2-NZ 2.69Å; D366-K370 PolarHBondContact OD2-NZ 3.36Å; K367-K370 PolarHBondContact O-N 2.92Å; K370-N373 PolarHBondContact O-N 3.04Å; K370-K374 VanDerWaalsContact O-CB 3.24Å; K370-K374 WeakPolarHBondContact O-CB 3.29Å; K370-K374 WeakPolarHBondContact O-CG 3.44Å; K370-K374 PolarHBondContact O-N 3.12Å
371V41.5Very low41.8Very low86 Ų86124.8 Ų124.852%0.52164%0.635SS.*Hα-helixtrans-73.5-32.4170.1173.50000110.5K367 N373K367-V371 VanDerWaalsContact O-CB 3.27Å; K367-V371 WeakPolarHBondContact O-CB 3.07Å; K367-V371 WeakPolarHBondContact O-CG2 3.36Å; K367-V371 PolarHBondContact O-N 3.18Å; V371-N373 VanDerWaalsContact C-N 3.34Å
372R43.8Very low40.2Very low129 Ų129126.8 Ų126.849%0.48764%0.644SS.*Hα-helixtrans-61.2-40.1167.4-127.7173.7174.6176.3-2.7112.3A368 E369A368-R372 WeakPolarHBondContact O-CB 3.36Å; A368-R372 PolarHBondContact O-N 3.19Å; A368-R372 VanDerWaalsContact O-N 3.15Å; E369-R372 CarbonylContact O-C 2.85Å; E369-R372 WeakPolarHBondContact O-CA 3.48Å; E369-R372 VanDerWaalsContact O-CB 3.23Å; E369-R372 WeakPolarHBondContact O-CB 3.39Å; E369-R372 PolarHBondContact O-N 3.43Å
373N39.2Very low39Very low107 Ų107124.3 Ų124.357%0.57264%0.641SS**Hα-helixtrans-88.1-31.8-176.4-76.1-17000114.7E369 K370 V371 Q376E369-N373 WeakPolarHBondContact O-CB 3.09Å; E369-N373 PolarHBondContact O-N 2.95Å; K370-N373 PolarHBondContact O-N 3.04Å; V371-N373 VanDerWaalsContact C-N 3.34Å; N373-Q376 PolarHBondContact O-N 3.35Å
374K35.8Very low38.2Very low155 Ų155127.4 Ų127.467%0.67466%0.661SS**Hα-helixtrans-74.3-31.2-179.2-83.9-176.5173.1-179.30113.6K370 Q376 Q377K370-K374 VanDerWaalsContact O-CB 3.24Å; K370-K374 WeakPolarHBondContact O-CB 3.29Å; K370-K374 WeakPolarHBondContact O-CG 3.44Å; K370-K374 PolarHBondContact O-N 3.12Å; K374-Q376 PolarHBondContact O-N 3.47Å; K374-Q377 PolarHBondContact O-N 3.14Å
375N40.2Very low37.3Very low132 Ų132127 Ų12771%0.70667%0.671SS**THydrogen-bonded Turntrans-76.3-0.8177.1-76.3-9.5000113.9
376Q47.3Very low36.4Very low144 Ų144125.4 Ų125.467%0.67368%0.683SS**THydrogen-bonded Turntrans-100.1-5.9174.3-74-173.86.400114.4N373 K374N373-Q376 PolarHBondContact O-N 3.35Å; K374-Q376 PolarHBondContact O-N 3.47Å
377Q38.4Very low35.8Very low171 Ų171125.3 Ų125.380%0.79970%0.701SS**THydrogen-bonded Turntrans-105-13.2-178.8-83.8-178.1-3.300115.6K374 G379K374-Q377 PolarHBondContact O-N 3.14Å; Q377-G379 VanDerWaalsContact C-N 3.28Å; Q377-G379 PolarHBondContact O-N 3.27Å; Q377-G379 VanDerWaalsContact O-N 3.12Å
378Q34.6Very low35.3Very low197 Ų197129 Ų12992%0.92172%0.72SS**THydrogen-bonded Turntrans-89.563.7172.9-77.9-176.53.700111.7
379G34.2Very low34.7Very low65 Ų65132.1 Ų132.167%0.6773%0.731SS**THydrogen-bonded Turntrans-128.9-5.7171.700000114.3Q377Q377-G379 VanDerWaalsContact C-N 3.28Å; Q377-G379 PolarHBondContact O-N 3.27Å; Q377-G379 VanDerWaalsContact O-N 3.12Å
380N35.9Very low33.9Very low149 Ų149130.5 Ų130.580%0.79775%0.746SS**  trans-126.395.4179.4-94.64000110.4
381N32.7Very low33.5Very low153 Ų153132.9 Ų132.982%0.81877%0.765SS**  trans-169.993.7142.3-96.2-13.5000108.7
382H28.6Very low33.7Very low189 Ų189133.3 Ų133.388%0.87577%0.769SS**  trans179.5117.2138.8-92.3-37000111.9
383T28.9Very low32.9Very low127 Ų127134.3 Ų134.378%0.77978%0.784SS**  trans164.4126.5147.3440000105.8
384N29.3Very low32.3Very low151 Ų151136 Ų13681%0.80779%0.793SS**  cis-161.4150.817.3-80.8-31000109.9
385G25.4Very low32Very low76 Ų76133.6 Ų133.678%0.78480%0.795SS**  trans-107.7159.6138.400000107.3
386A29.5Very low31.4Very low110 Ų110136.5 Ų136.591%0.90981%0.805SS**  cis-162.61654.700000107.7
387G28.1Very low30.4Very low80 Ų80134.7 Ų134.783%0.82581%0.814SS**  trans154.2106.3161.900000117.2
388H28.6Very low29.9Very low187 Ų187136.1 Ų136.187%0.86682%0.821SS**  trans-36.2149.3171.1-82.8-17.3000118.1
389T28.3Very low29.6Very low139 Ų139130 Ų13085%0.85381%0.811SS**  -174.5154.773.936.20000111.3
390G25.9Very low29.6Very low84 Ų84132.9 Ų132.987%0.86682%0.818SS**  trans117.9117.5154.900000117.2
391N27.7Very low29.4Very low160 Ų160131.9 Ų131.986%0.85682%0.82SS**  trans-98.1-174.8-179.3-149.326000110.8
392P45.7Very low29.4Very low94 Ų94133.1 Ų133.161%0.6183%0.825SS**  -116.8167.2-94.237.3-21.7000113.9
393D27.1Very low29.4Very low151 Ų151133.7 Ų133.781%0.80783%0.825SS**  trans-171.8132.2138.6-105.1-23.2000116
394N27.2Very low29.4Very low143 Ų143137.5 Ų137.577%0.76583%0.831SS**  trans53.9129142.2-98.3-21.2000126.4
395S27.9Very low29.2Very low103 Ų103136.9 Ų136.972%0.7283%0.832SS**  trans102.6105.313172.70000121.2
396H27.1Very low29.2Very low194 Ų194144.2 Ų144.290%0.89884%0.836SS**  trans23.8126.9139.1-68.2-57000122.1
397A28.4Very low29.1Very low105 Ų105145.6 Ų145.687%0.86883%0.833SS**  -170.3135.4107.300000111.8
398Q26.9Very low29.2Very low201 Ų201147.3 Ų147.394%0.93983%0.827SS**  trans-82.2149.5178.9-73.5176.9-22.500112.8
399G29.1Very low29.3Very low70 Ų70143.2 Ų143.272%0.72282%0.817SS**  trans-154.2140.3159.200000110.5
400P33Very low29.4Very low125 Ų125143 Ų14381%0.81282%0.819SS**PPolyproline II helixtrans-87.1163.4-158.734.8-35.9000114.8
401P32.7Very low29.5Very low128 Ų128145.1 Ų145.183%0.83181%0.814SS**PPolyproline II helixtrans-83.5144.7-174.732.7-33000113.8
402L31.5Very low29.6Very low179 Ų179143.6 Ų143.694%0.93781%0.811SS**PPolyproline II helixtrans-70.9136175.3-78.4155000112.3
403K29.4Very low28.8Very low200 Ų200145.7 Ų145.787%0.8782%0.822SS**PPolyproline II helixtrans-68.4135.8-179.7-71.7175.7176.3176.10112.1
404K27.9Very low28.8Very low207 Ų207144 Ų14490%0.982%0.822SS**PPolyproline II helixtrans-67126.7166.8-72.4176.9175.4176.90110.4
405V26.2Very low28.8Very low139 Ų139143.1 Ų143.184%0.84283%0.827SS**PPolyproline II helixtrans-90.1126.5167.3176.40000108.7
406R25.5Very low28.7Very low230 Ų230142 Ų14287%0.86883%0.831SS**PPolyproline II helixtrans-92.1123-179.6-171.4177.9-171.71761.8108.8
407V27.8Very low28.6Very low138 Ų138141.2 Ų141.284%0.83683%0.833SS**PPolyproline II helixtrans-79.7132.1171.9178.70000108.9
408V29.7Very low28.6Very low117 Ų117143.5 Ų143.571%0.70983%0.829SS**  trans-109.4137.9175.5-178.80000108.2
409P30.6Very low28.7Very low101 Ų101143 Ų14366%0.65683%0.829SS**PPolyproline II helixtrans-7915117831.5-33.2000111.9
410P30.4Very low28.6Very low135 Ų135145.5 Ų145.588%0.87783%0.83SS**PPolyproline II helixtrans-79.7135.7-179.331.9-31.9000111.5
411V27.2Very low28.3Very low128 Ų128144.6 Ų144.678%0.77683%0.827SS**PPolyproline II helixtrans-98.4140.3173.1-175.60000108.7
412T31.2Very low28.1Very low127 Ų127146 Ų14678%0.77983%0.828SS**PPolyproline II helixtrans-59.2133.3171.3460000112.9
413T27.6Very low27.8Very low139 Ų139147.7 Ų147.785%0.85382%0.823SS**  trans-139.8127.1152.644.20000111.3
414S26.9Very low27.8Very low114 Ų114147.3 Ų147.380%0.79782%0.824SS**  trans-74139.9165.944.10000110.5
415S28.1Very low27.8Very low126 Ų126148.9 Ų148.988%0.88183%0.825SS**  trans-168.6119.3150.8-75.50000108.2
416G24.8Very low27.9Very low78 Ų78148.2 Ų148.280%0.80483%0.826SS**  trans-78155.5-176.800000113.4
417L26.8Very low27.9Very low179 Ų179144.5 Ų144.594%0.93782%0.824SS**  trans-137.8123.5155.2-94.7162.6000108.1
418I28.2Very low29Very low152 Ų152142.3 Ų142.378%0.77981%0.812SS**  trans-77.5129.6177.6-66.5163.7000107.5
419M27.3Very low28.9Very low190 Ų190145.9 Ų145.994%0.93682%0.821SS**  trans-135.8126.1153.2-94.7-157.5167.100110.4
420T26.9Very low28.8Very low123 Ų123145.7 Ų145.776%0.75583%0.828SS**  trans-71.5131.1-175.546.10000111.3
421S28.2Very low28.8Very low107 Ų107143.9 Ų143.975%0.74882%0.824SS**  trans-97.3110.1167.747.10000110Y423S421-Y423 PolarHBondContact O-N 3.12Å
422D27.1Very low28.8Very low158 Ų158148.8 Ų148.885%0.84583%0.83SS**  trans-72.5119.3170.5-86-40.9000110.6
423Y26.8Very low28.8Very low213 Ų213152.1 Ų152.184%0.83584%0.837SS**  trans-75.3124.3161.3-102.5-99.7000108.9S421S421-Y423 PolarHBondContact O-N 3.12Å
424Q28.3Very low29Very low192 Ų192152.6 Ų152.690%0.89784%0.835SS**  trans-123.9113.3153.8-84.8-171.2-14.100111
425R28.7Very low29.4Very low240 Ų240153 Ų15391%0.90683%0.834SS**  trans-63.8142.6161.6-74.7177.1170.9-173.7-2.5109.8
426S27Very low29.4Very low126 Ų126149.9 Ų149.988%0.88182%0.822SS**  trans-156.5136.4135.549.30000110.6
427N26.6Very low30.6Very low152 Ų152152.1 Ų152.181%0.81382%0.822SS**  trans-147.5174.5172.3-155.233000104.7
428P50.8Low30.7Very low91 Ų91148.3 Ų148.359%0.59181%0.811SS**  -116.1169.4-74.635.1-21.2000112.2
429H26.9Very low30.8Very low192 Ų192147.3 Ų147.389%0.88981%0.812SS**  trans171.7156137.5-101.1-52.3000115.2
430A29Very low30.9Very low97 Ų97144 Ų14480%0.80281%0.808SS**  trans83.3137.6160.700000117.1
431A29.9Very low31.1Very low97 Ų97145.1 Ų145.180%0.80281%0.808SS**  cis-163.9152.3-7.900000107.8
432Y27.8Very low31.8Very low232 Ų232145.9 Ų145.991%0.9181%0.81SS**  trans-68.4142166.2-87.5-97.9000110.8
433Q30.2Very low32.2Very low196 Ų196146.2 Ų146.292%0.91681%0.807SS**  trans-148.3125145.5-110.7175.711.700111.3
434N32.3Very low32.3Very low150 Ų150144.1 Ų144.180%0.80281%0.81SS**  trans-71.9156.9167.3-134.6-8.1000108.9
435P36.1Very low32.5Very low122 Ų122139.6 Ų139.679%0.79280%0.8SS**  -149.4150.993.135.6-17.4000115.3
436G27.2Very low32.7Very low61 Ų61136.5 Ų136.563%0.62980%0.8SS**  trans-103.1-165147.700000109.8
437P50Low32.9Very low124 Ų124133.7 Ų133.781%0.80579%0.791SS**  cis-132-170.9-14.638.6-20.4000112.9
438S29Very low33.1Very low100 Ų100137.6 Ų137.670%0.69980%0.795SS**  trans113.9114145.769.80000121
439T30.1Very low32.1Very low130 Ų130139 Ų13980%0.79881%0.808SS**  trans62.8117.4131.357.20000121.5
440S30.5Very low32.3Very low121 Ų121134.6 Ų134.685%0.84680%0.798SS**  165.4132.29458.50000112.9
441L30.8Very low32.3Very low147 Ų147136.4 Ų136.477%0.7780%0.799SS**  trans-55171.7165.5-87.1161.9000113.2Q443L441-Q443 HydrophobicContact CD2-CG 4.49Å
442P43.8Very low32.4Very low122 Ų122136.3 Ų136.379%0.79279%0.793SS**  cis-145170.236.538.5-15.7000120.1
443Q34Very low32.6Very low165 Ų165134.5 Ų134.577%0.77179%0.793SS**  trans-58.3155168.6-67.9163.8-54.500113.4L441L441-Q443 HydrophobicContact CD2-CG 4.49Å
444N29.5Very low32.9Very low169 Ų169134.3 Ų134.390%0.90479%0.792SS**  trans-137.9124.7140.9-119.3-6.7000111.2
445S32.6Very low33.4Very low97 Ų97132 Ų13268%0.67879%0.785SS**  trans-85.6152.7175.147.90000111.8
446I33.6Very low33.9Very low176 Ų176132.2 Ų132.290%0.90379%0.787SS**  trans-168.2130.7142.4-84.8137.7000103.5
447G29.7Very low34.1Very low67 Ų67137.9 Ų137.969%0.69180%0.797SS**  cis128.2116.322.800000107.7
448Y30.8Very low33.2Very low233 Ų233143.5 Ų143.591%0.91480%0.804SS**  trans-55.2153.8-175.1-79.5-102.4000115.8
449S29.9Very low33.2Very low122 Ų122143 Ų14385%0.85380%0.801SS**  -172.5149.3117-107.20000115.2
450S31.6Very low33.3Very low99 Ų99144.3 Ų144.369%0.69280%0.797SS**  trans-80.7153.4-172.451.10000115.5
451T30.2Very low33.4Very low134 Ų134146.1 Ų146.182%0.82279%0.792SS**  -168.3132.112513.40000113.8
452S31.8Very low33.3Very low96 Ų96145.3 Ų145.367%0.67179%0.793SS**  trans14131.4145.961.30000121.6
453Q31.6Very low33Very low194 Ų194148.1 Ų148.191%0.90780%0.796SS**  -175.2134.8107.3-96.6174.524.600111.1
454Q36.4Very low33.1Very low191 Ų191151.1 Ų151.189%0.89380%0.8SS**  trans-88.9167.9174-106.8-161.9-9.800111.4
455P42.8Very low33.6Very low102 Ų102157.4 Ų157.466%0.66281%0.813SS**  trans-96.8174.6-157.339.8-36.7000113.6
456P46.5Very low33.7Very low127 Ų127160.4 Ų160.483%0.82582%0.82SS**  trans-88.3142.4166.132.7-25.9000112.4
457Q31.6Very low33.7Very low180 Ų180159.6 Ų159.684%0.84182%0.815SS**  trans-69.5148.2177-63.6165.8-37.300112.5
458Y30.7Very low33.9Very low241 Ų241164.7 Ų164.795%0.94582%0.822SS**  trans-137.8123.8142.2-98.8-81.5000110
459S28.9Very low34.1Very low91 Ų91160.7 Ų160.764%0.63682%0.817SS**  trans-89.7145.8176.950.30000111.7
460H31.6Very low34.4Very low157 Ų157163.1 Ų163.173%0.72782%0.815SS**  trans173104.1133.7-95.7-69.2000107.5
461Q32.3Very low34.6Very low159 Ų159167.4 Ų167.474%0.74382%0.823SS**  96.9108.491.4-103.5-179.9-10.500112.8
462T29.7Very low34.9Very low129 Ų129169.8 Ų169.879%0.79182%0.823SS**  trans-57.5138.9158.543.70000112.4
463H37Very low35.1Very low182 Ų182175.5 Ų175.584%0.84384%0.835SS**  trans-134.1122.1145.5-100.9-68.3000110.2
464R35.4Very low35.4Very low227 Ų227173.9 Ų173.986%0.85783%0.829SS**  trans-65.1137.2156.7-74175.4171.8166.5-3.4108.6
465Y41.8Very low35.3Very low301 Ų301172.4 Ų172.4100%1.1882%0.823SS**  -157.10113.9-101.4-74.2000109.2

Retrieved 465 of 465 residues in 827.2 ms (Link to these results)

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