A0A5K4F8G6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F8G6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 411 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
1M75.7Confident82.4Confident129 Ų12949.5 Ų49.564%0.63523%0.233SC*.  0-760-60.5-157.2-63.200112.7I3 D4 A5 C32M1-I3 PolarHBondContact O-N 3.18Å; M1-D4 PolarHBondContact N-OD2 3.11Å; M1-D4 WeakPolarHBondContact O-CB 3.5Å; M1-D4 PolarHBondContact O-N 3.09Å; M1-D4 VanDerWaalsContact O-N 3.14Å; M1-A5 PolarHBondContact O-N 2.88Å; M1-C32 WeakPolarHBondContact CB-O 3.49Å; M1-C32 WeakPolarHBondContact CE-O 3.45Å
2M79.9Confident82.4Confident28 Ų2849.8 Ų49.814%0.13825%0.245CC..Hα-helixtrans-56.2-46.9-177.8-73.1-178.4-165.400113.9D4 A5 L6 C32 I34 I41 I45 L46 F49M2-D4 VanDerWaalsContact C-N 3.31Å; M2-D4 PolarHBondContact O-N 3.41Å; M2-A5 PolarHBondContact O-N 3.24Å; M2-L6 PolarHBondContact O-N 3.18Å; M2-C32 HydrophobicContact CG-CB 4.06Å; M2-I34 HydrophobicContact CE-CD1 3.34Å; M2-I34 HydrophobicContact CE-CG1 3.64Å; M2-I34 HydrophobicContact CG-CD1 4.4Å; M2-I34 HydrophobicContact SD-CD1 4.45Å; M2-I41 HydrophobicContact CE-CD1 3.61Å; M2-I41 HydrophobicContact CE-CG2 4.02Å; M2-I45 HydrophobicContact CE-CG2 4.2Å; M2-I45 HydrophobicContact SD-CG2 3.88Å; M2-L46 HydrophobicContact CE-CD2 4.45Å; M2-F49 HydrophobicContact CB-CD2 3.73Å; M2-F49 HydrophobicContact CB-CE2 3.71Å; M2-F49 HydrophobicContact CG-CD2 3.96Å; M2-F49 HydrophobicContact CG-CE2 3.97Å; M2-F49 HydrophobicContact CG-CG 4.43Å; M2-F49 HydrophobicContact CG-CZ 4.48Å; M2-F49 HydrophobicContact SD-CB 4.17Å; M2-F49 HydrophobicContact SD-CD2 3.96Å; M2-F49 HydrophobicContact SD-CG 3.97Å
3I82Confident82.5Confident28 Ų2846.2 Ų46.214%0.14423%0.227CC..Hα-helixtrans-65.8-36.4179.7-60.4174.2000111.2M1 L6 R7 P164 H165 L179M1-I3 PolarHBondContact O-N 3.18Å; I3-L6 PolarHBondContact O-N 3.27Å; I3-R7 WeakPolarHBondContact O-CB 3.23Å; I3-R7 PolarHBondContact O-N 3.35Å; I3-P164 WeakPolarHBondContact CG2-O 3.47Å; I3-H165 HydrophobicContact CD1-CB 4.38Å; I3-H165 WeakPolarHBondContact CD1-O 3.49Å; I3-L179 HydrophobicContact CD1-CB 4.35Å; I3-L179 HydrophobicContact CG1-CB 4.28Å
4D83.5Confident82.5Confident58 Ų5845.3 Ų45.331%0.3122%0.22SC..Hα-helixtrans-64.6-45.3176.3-57.9-59.5000111.5M1 M2 R7 Q8 H165M1-D4 PolarHBondContact N-OD2 3.11Å; M1-D4 WeakPolarHBondContact O-CB 3.5Å; M1-D4 PolarHBondContact O-N 3.09Å; M1-D4 VanDerWaalsContact O-N 3.14Å; M2-D4 VanDerWaalsContact C-N 3.31Å; M2-D4 PolarHBondContact O-N 3.41Å; D4-R7 PolarHBondContact O-N 3.14Å; D4-Q8 WeakPolarHBondContact O-CG 3.48Å; D4-Q8 PolarHBondContact O-N 3.36Å; D4-H165 IonicContact OD1-CE1 3Å; D4-H165 PolarHBondContact OD1-CE1 2.9Å; D4-H165 IonicContact OD1-NE2 3.59Å; D4-H165 IonicContact OD2-CE1 2.68Å
5A80.9Confident82.6Confident6 Ų651.3 Ų51.35%0.0524%0.24CC..Hα-helixtrans-60.2-48.2175.900000110.9M1 M2 R7 Q8 Y9M1-A5 PolarHBondContact O-N 2.88Å; M2-A5 PolarHBondContact O-N 3.24Å; A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 2.95Å; A5-Q8 PolarHBondContact O-N 3.16Å; A5-Y9 HydrophobicContact CB-CE2 4.45Å; A5-Y9 WeakPolarHBondContact O-CD2 3.5Å; A5-Y9 PolarHBondContact O-N 2.95Å
6L83.9Confident82Confident5 Ų551.1 Ų51.13%0.02625%0.247CC..Hα-helixtrans-57.2-44.8175.2-78.3170.9000112M2 I3 Y9 C10 F49 Q52 L53 L179M2-L6 PolarHBondContact O-N 3.18Å; I3-L6 PolarHBondContact O-N 3.27Å; L6-Y9 PolarHBondContact O-N 3.39Å; L6-C10 PolarHBondContact O-N 2.98Å; L6-C10 PolarHBondContact O-SG 3.29Å; L6-F49 HydrophobicContact CD1-CD2 3.67Å; L6-F49 HydrophobicContact CD1-CE2 3.85Å; L6-F49 HydrophobicContact CD2-CD2 4.5Å; L6-F49 HydrophobicContact CD2-CE2 4.15Å; L6-F49 HydrophobicContact CG-CD2 4.04Å; L6-F49 HydrophobicContact CG-CE2 3.67Å; L6-Q52 HydrophobicContact CD1-CB 4Å; L6-Q52 HydrophobicContact CD1-CG 4.49Å; L6-Q52 HydrophobicContact CD2-CB 3.98Å; L6-L53 HydrophobicContact CD2-CD2 3.73Å; L6-L53 HydrophobicContact CD2-CG 4.08Å; L6-L179 HydrophobicContact CD1-CD1 3.47Å; L6-L179 VanDerWaalsContact CD1-CD1 3.47Å
7R83.3Confident80.9Confident93 Ų9348.5 Ų48.535%0.35124%0.236SC..Hα-helixtrans-62.5-48.3179.5-179.6-179.8172-174-2.6111.5I3 D4 A5 Y9 C10 E11I3-R7 WeakPolarHBondContact O-CB 3.23Å; I3-R7 PolarHBondContact O-N 3.35Å; D4-R7 PolarHBondContact O-N 3.14Å; A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 2.95Å; R7-Y9 PolarHBondContact O-N 3.32Å; R7-C10 PolarHBondContact O-N 3.08Å; R7-C10 VanDerWaalsContact O-N 3.12Å; R7-E11 HydrophobicContact CG-CG 4.32Å; R7-E11 IonicContact CZ-OE1 3.22Å; R7-E11 VanDerWaalsContact CZ-OE1 3.26Å; R7-E11 IonicContact NE-OE1 3.6Å; R7-E11 PolarHBondContact NE-OE1 3.04Å; R7-E11 IonicContact NH2-OE1 3.23Å; R7-E11 PolarHBondContact NH2-OE1 3.2Å; R7-E11 WeakPolarHBondContact O-CB 3.32Å; R7-E11 WeakPolarHBondContact O-CG 3.32Å; R7-E11 PolarHBondContact O-N 3.41Å
8Q83.8Confident79.7Confident111 Ų11152.5 Ų52.552%0.51926%0.258SS..Hα-helixtrans-57.3-40.6177.3-74.3176.1-2.800111.6D4 A5 S12D4-Q8 WeakPolarHBondContact O-CG 3.48Å; D4-Q8 PolarHBondContact O-N 3.36Å; A5-Q8 PolarHBondContact O-N 3.16Å; Q8-S12 VanDerWaalsContact O-CB 3.29Å; Q8-S12 WeakPolarHBondContact O-CB 3.34Å; Q8-S12 PolarHBondContact O-N 3.32Å
9Y83.6Confident78.7Confident28 Ų2855.2 Ų55.211%0.1127%0.27CS..Hα-helixtrans-68.9-40175.9-67-53.3000113.1A5 L6 R7 S12 L13 Y20 K31 L56A5-Y9 HydrophobicContact CB-CE2 4.45Å; A5-Y9 WeakPolarHBondContact O-CD2 3.5Å; A5-Y9 PolarHBondContact O-N 2.95Å; L6-Y9 PolarHBondContact O-N 3.39Å; R7-Y9 PolarHBondContact O-N 3.32Å; Y9-S12 PolarHBondContact O-N 2.91Å; Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 PolarHBondContact O-N 3.29Å; Y9-Y20 HydrophobicContact CD1-CD2 4.12Å; Y9-Y20 AromaticContact CD1-CE2 3.27Å; Y9-Y20 HydrophobicContact CD1-CE2 3.27Å; Y9-Y20 AromaticContact CD1-CZ 3.52Å; Y9-Y20 WeakPolarHBondContact CD1-OH 3.37Å; Y9-Y20 HydrophobicContact CE1-CD2 4.47Å; Y9-Y20 AromaticContact CE1-CE2 3.32Å; Y9-Y20 HydrophobicContact CE1-CE2 3.32Å; Y9-Y20 AromaticContact CE1-CZ 3.54Å; Y9-Y20 WeakPolarHBondContact CE1-OH 3.49Å; Y9-Y20 VanDerWaalsContact CE2-OH 3.27Å; Y9-Y20 WeakPolarHBondContact CE2-OH 3.42Å; Y9-Y20 HydrophobicContact CG-CE2 4.05Å; Y9-Y20 AromaticContact CG-CZ 3.88Å; Y9-Y20 AromaticContact CZ-CZ 3.86Å; Y9-Y20 PolarHBondContact OH-OH 2.97Å; Y9-K31 VanDerWaalsContact CE1-NZ 3.34Å; Y9-K31 HydrophobicContact CE2-CD 4.36Å; Y9-K31 WeakPolarHBondContact OH-CD 3.35Å; Y9-K31 PolarHBondContact OH-NZ 2.97Å; Y9-L56 VanDerWaalsContact CB-CD2 3.44Å; Y9-L56 HydrophobicContact CD2-CD2 4.5Å; Y9-L56 HydrophobicContact CG-CD2 4.18Å
10C84.9Confident77.9Confident4 Ų454.2 Ų54.23%0.02726%0.263CS..Hα-helixtrans-62.7-43.9174.2-660000111.5L6 R7 L13 W14 I120 R123 V124L6-C10 PolarHBondContact O-N 2.98Å; L6-C10 PolarHBondContact O-SG 3.29Å; R7-C10 PolarHBondContact O-N 3.08Å; R7-C10 VanDerWaalsContact O-N 3.12Å; C10-L13 PolarHBondContact O-N 3.37Å; C10-W14 VanDerWaalsContact O-CB 3.25Å; C10-W14 WeakPolarHBondContact O-CB 3.26Å; C10-W14 PolarHBondContact O-N 2.95Å; C10-I120 HydrophobicContact CB-CB 4.44Å; C10-R123 HydrophobicContact CB-CB 4.45Å; C10-V124 HydrophobicContact CB-CG2 3.73Å
11E85.1Confident77.4Confident55 Ų5560.1 Ų60.126%0.25729%0.288SS..Hα-helixtrans-64.2-46.6177.7-75177.7173.500111R7 L13 W14 Y15 V124R7-E11 HydrophobicContact CG-CG 4.32Å; R7-E11 IonicContact CZ-OE1 3.22Å; R7-E11 VanDerWaalsContact CZ-OE1 3.26Å; R7-E11 IonicContact NE-OE1 3.6Å; R7-E11 PolarHBondContact NE-OE1 3.04Å; R7-E11 IonicContact NH2-OE1 3.23Å; R7-E11 PolarHBondContact NH2-OE1 3.2Å; R7-E11 WeakPolarHBondContact O-CB 3.32Å; R7-E11 WeakPolarHBondContact O-CG 3.32Å; R7-E11 PolarHBondContact O-N 3.41Å; E11-L13 VanDerWaalsContact C-N 3.35Å; E11-L13 PolarHBondContact O-N 2.68Å; E11-W14 PolarHBondContact O-N 3.02Å; E11-Y15 HydrophobicContact CB-CD2 4.26Å; E11-Y15 HydrophobicContact CB-CE2 4.47Å; E11-Y15 HydrophobicContact CG-CE2 4.43Å; E11-Y15 WeakPolarHBondContact O-CB 3.46Å; E11-Y15 VanDerWaalsContact O-CD2 3.23Å; E11-Y15 WeakPolarHBondContact O-CD2 3.49Å; E11-Y15 PolarHBondContact O-N 3.35Å; E11-V124 HydrophobicContact CG-CG1 4.11Å; E11-V124 HydrophobicContact CG-CG2 4.05Å
12S82.5Confident77Confident53 Ų5359.8 Ų59.837%0.37128%0.279SS..Iπ-helixtrans-56.6-49.8174.5-178.20000110.8Q8 Y9 W14 S16 G17Q8-S12 VanDerWaalsContact O-CB 3.29Å; Q8-S12 WeakPolarHBondContact O-CB 3.34Å; Q8-S12 PolarHBondContact O-N 3.32Å; Y9-S12 PolarHBondContact O-N 2.91Å; S12-W14 PolarHBondContact O-N 3.17Å; S12-S16 WeakPolarHBondContact O-CA 3.36Å; S12-S16 VanDerWaalsContact O-CB 3.24Å; S12-S16 WeakPolarHBondContact O-CB 3.3Å; S12-S16 PolarHBondContact O-N 3.38Å; S12-S16 PolarHBondContact O-OG 3.42Å; S12-S16 PolarHBondContact OG-OG 3.38Å; S12-G17 PolarHBondContact O-N 3.41Å; S12-G17 VanDerWaalsContact O-N 3.12Å
13L83.2Confident76.5Confident2 Ų259.2 Ų59.21%0.0128%0.278CS..Iπ-helixtrans-66.1-38.3-179.8-178.462000112.7Y9 C10 E11 G17 L56 M59 I63 I120Y9-L13 WeakPolarHBondContact O-CB 3.49Å; Y9-L13 PolarHBondContact O-N 3.29Å; C10-L13 PolarHBondContact O-N 3.37Å; E11-L13 VanDerWaalsContact C-N 3.35Å; E11-L13 PolarHBondContact O-N 2.68Å; L13-G17 WeakPolarHBondContact O-CA 3.33Å; L13-G17 PolarHBondContact O-N 2.96Å; L13-G17 VanDerWaalsContact O-N 3.15Å; L13-L56 HydrophobicContact CB-CD1 4.48Å; L13-L56 HydrophobicContact CD2-CD1 3.72Å; L13-M59 HydrophobicContact CD2-CB 4.34Å; L13-M59 HydrophobicContact CD2-CG 4.29Å; L13-I63 HydrophobicContact CD1-CB 4.4Å; L13-I63 HydrophobicContact CD1-CG2 4.35Å; L13-I63 HydrophobicContact CD2-CD1 4.03Å; L13-I63 HydrophobicContact CG-CD1 3.9Å; L13-I120 HydrophobicContact CB-CD1 4.45Å; L13-I120 HydrophobicContact CD2-CD1 3.75Å; L13-I120 HydrophobicContact CG-CD1 4.08Å
14W82.9Confident76.2Confident34 Ų3461.4 Ų61.413%0.12929%0.293CS..Iπ-helixtrans-69.9-48.5-179.3-171-93.9000112.1C10 E11 S12 R67 I120 Y121 V124 E189 I192C10-W14 VanDerWaalsContact O-CB 3.25Å; C10-W14 WeakPolarHBondContact O-CB 3.26Å; C10-W14 PolarHBondContact O-N 2.95Å; E11-W14 PolarHBondContact O-N 3.02Å; S12-W14 PolarHBondContact O-N 3.17Å; W14-R67 PolarHBondContact O-NH2 3.37Å; W14-R67 VanDerWaalsContact O-NH2 3.16Å; W14-I120 HydrophobicContact CE3-CD1 3.98Å; W14-I120 HydrophobicContact CE3-CG1 3.93Å; W14-I120 HydrophobicContact CZ3-CG1 4.33Å; W14-Y121 HydrophobicContact CD2-CD2 4.47Å; W14-Y121 AromaticContact CE2-CD2 3.85Å; W14-Y121 AromaticContact CH2-CD2 3.38Å; W14-Y121 HydrophobicContact CH2-CD2 3.38Å; W14-Y121 HydrophobicContact CH2-CE2 4.2Å; W14-Y121 HydrophobicContact CH2-CG 4.11Å; W14-Y121 AromaticContact CZ2-CD2 3.29Å; W14-Y121 HydrophobicContact CZ2-CD2 3.29Å; W14-Y121 AromaticContact CZ2-CE2 3.76Å; W14-Y121 HydrophobicContact CZ2-CE2 3.76Å; W14-Y121 HydrophobicContact CZ2-CG 4.4Å; W14-Y121 HydrophobicContact CZ3-CD2 4.02Å; W14-Y121 HydrophobicContact CZ3-CG 4.47Å; W14-V124 HydrophobicContact CB-CG1 4.27Å; W14-V124 HydrophobicContact CB-CG2 4.01Å; W14-V124 HydrophobicContact CG-CB 4.5Å; W14-V124 HydrophobicContact CG-CG1 4.18Å; W14-V124 HydrophobicContact CG-CG2 4.46Å; W14-E189 HydrophobicContact CZ3-CG 4.09Å; W14-I192 HydrophobicContact CH2-CD1 3.46Å; W14-I192 VanDerWaalsContact CH2-CD1 3.46Å; W14-I192 HydrophobicContact CZ2-CD1 3.65Å; W14-I192 HydrophobicContact CZ3-CD1 4.43Å
15Y83.1Confident75.6Confident135 Ų13563.4 Ų63.453%0.52930%0.3SS..Iπ-helixtrans-85.9-54.5-175.1-66-66.9000112.1E11 R67 V124E11-Y15 HydrophobicContact CB-CD2 4.26Å; E11-Y15 HydrophobicContact CB-CE2 4.47Å; E11-Y15 HydrophobicContact CG-CE2 4.43Å; E11-Y15 WeakPolarHBondContact O-CB 3.46Å; E11-Y15 VanDerWaalsContact O-CD2 3.23Å; E11-Y15 WeakPolarHBondContact O-CD2 3.49Å; E11-Y15 PolarHBondContact O-N 3.35Å; Y15-R67 PolarHBondContact O-NH2 3.43Å; Y15-R67 VanDerWaalsContact O-NH2 3.1Å; Y15-V124 HydrophobicContact CD2-CG1 4.32Å; Y15-V124 HydrophobicContact CE2-CG1 3.43Å; Y15-V124 VanDerWaalsContact CE2-CG1 3.43Å
16S74Confident75.1Confident49 Ų4970 Ų7034%0.34333%0.33SS..Iπ-helixtrans-78.7-31-178.682.40000112.4S12 L18 R67S12-S16 WeakPolarHBondContact O-CA 3.36Å; S12-S16 VanDerWaalsContact O-CB 3.24Å; S12-S16 WeakPolarHBondContact O-CB 3.3Å; S12-S16 PolarHBondContact O-N 3.38Å; S12-S16 PolarHBondContact O-OG 3.42Å; S12-S16 PolarHBondContact OG-OG 3.38Å; S16-L18 PolarHBondContact O-N 3.5Å; S16-L18 WeakPolarHBondContact OG-CG 3.43Å; S16-L18 PolarHBondContact OG-N 2.71Å; S16-R67 PolarHBondContact O-NH1 3.44Å
17G62.2Low74.7Confident6 Ų675 Ų756%0.06235%0.353CS..  trans36.138.7-170.900000115.6S12 L13 R67S12-G17 PolarHBondContact O-N 3.41Å; S12-G17 VanDerWaalsContact O-N 3.12Å; L13-G17 WeakPolarHBondContact O-CA 3.33Å; L13-G17 PolarHBondContact O-N 2.96Å; L13-G17 VanDerWaalsContact O-N 3.15Å; G17-R67 VanDerWaalsContact N-NH2 3.16Å
18L61Low74.1Confident121 Ų12170.9 Ų70.963%0.63434%0.338SS*.  trans-58.7136.8156.7-65.3170.1000108S16 Y20S16-L18 PolarHBondContact O-N 3.5Å; S16-L18 WeakPolarHBondContact OG-CG 3.43Å; S16-L18 PolarHBondContact OG-N 2.71Å; L18-Y20 PolarHBondContact O-N 2.94Å; L18-Y20 VanDerWaalsContact O-N 3.1Å
19E60Low73.5Confident104 Ų10467.4 Ų67.449%0.48632%0.322SS..  trans-58.2120.5170.8-172.7-179.8-171.300108K21E19-K21 PolarHBondContact O-N 2.9Å
20Y62.7Low72.9Confident34 Ų3467.9 Ų67.913%0.13333%0.333CS..  trans-76.1103.4-178.7-174.1-126.3000108.7Y9 L18 R22 P23 L56 F57Y9-Y20 HydrophobicContact CD1-CD2 4.12Å; Y9-Y20 AromaticContact CD1-CE2 3.27Å; Y9-Y20 HydrophobicContact CD1-CE2 3.27Å; Y9-Y20 AromaticContact CD1-CZ 3.52Å; Y9-Y20 WeakPolarHBondContact CD1-OH 3.37Å; Y9-Y20 HydrophobicContact CE1-CD2 4.47Å; Y9-Y20 AromaticContact CE1-CE2 3.32Å; Y9-Y20 HydrophobicContact CE1-CE2 3.32Å; Y9-Y20 AromaticContact CE1-CZ 3.54Å; Y9-Y20 WeakPolarHBondContact CE1-OH 3.49Å; Y9-Y20 VanDerWaalsContact CE2-OH 3.27Å; Y9-Y20 WeakPolarHBondContact CE2-OH 3.42Å; Y9-Y20 HydrophobicContact CG-CE2 4.05Å; Y9-Y20 AromaticContact CG-CZ 3.88Å; Y9-Y20 AromaticContact CZ-CZ 3.86Å; Y9-Y20 PolarHBondContact OH-OH 2.97Å; L18-Y20 PolarHBondContact O-N 2.94Å; L18-Y20 VanDerWaalsContact O-N 3.1Å; Y20-R22 PolarHBondContact O-N 2.9Å; Y20-P23 HydrophobicContact CE2-CG 4.37Å; Y20-P23 VanDerWaalsContact OH-CD 3.32Å; Y20-P23 WeakPolarHBondContact OH-CD 3.27Å; Y20-P23 WeakPolarHBondContact OH-CG 3.36Å; Y20-L56 HydrophobicContact CD1-CD2 3.85Å; Y20-L56 HydrophobicContact CD1-CG 4.2Å; Y20-L56 HydrophobicContact CE1-CD2 3.66Å; Y20-L56 HydrophobicContact CE1-CG 4.46Å; Y20-F57 AromaticContact CD1-CD1 3.41Å; Y20-F57 HydrophobicContact CD1-CD1 3.41Å; Y20-F57 VanDerWaalsContact CD1-CD1 3.41Å; Y20-F57 AromaticContact CD1-CE1 3.03Å; Y20-F57 HydrophobicContact CD1-CE1 3.03Å; Y20-F57 HydrophobicContact CD1-CG 4.45Å; Y20-F57 AromaticContact CD1-CZ 3.89Å; Y20-F57 HydrophobicContact CD1-CZ 3.89Å; Y20-F57 AromaticContact CE1-CD1 3.79Å; Y20-F57 HydrophobicContact CE1-CD1 3.79Å; Y20-F57 AromaticContact CE1-CE1 2.96Å; Y20-F57 HydrophobicContact CE1-CE1 2.96Å; Y20-F57 HydrophobicContact CE1-CE2 4.37Å; Y20-F57 AromaticContact CE1-CZ 3.32Å; Y20-F57 HydrophobicContact CE1-CZ 3.32Å; Y20-F57 HydrophobicContact CG-CD1 4.44Å; Y20-F57 HydrophobicContact CG-CE1 4.11Å; Y20-F57 AromaticContact CZ-CE1 3.97Å
21K66.5Low72.3Confident179 Ų17972.7 Ų72.778%0.77835%0.353SS*.  trans-66128.3169.4-70.5-174179.3-178.80108.7E19 P23E19-K21 PolarHBondContact O-N 2.9Å; K21-P23 WeakPolarHBondContact O-CD 3.33Å; K21-P23 VanDerWaalsContact O-N 3.15Å
22R68.9Low71.6Confident122 Ų12270.3 Ų70.346%0.4634%0.342SS..  trans-61.6111.5176.6-179.3165.9-178.2165.14110.3Y20 H25 E54 F57Y20-R22 PolarHBondContact O-N 2.9Å; R22-H25 PolarHBondContact NH2-NE2 2.97Å; R22-E54 IonicContact CZ-OE1 3.63Å; R22-E54 IonicContact NH1-OE1 3.85Å; R22-E54 PolarHBondContact NH1-OE1 3.32Å; R22-E54 IonicContact NH1-OE2 2.6Å; R22-E54 PolarHBondContact NH1-OE2 3.4Å; R22-E54 IonicContact NH2-OE1 2.86Å; R22-E54 PolarHBondContact NH2-OE1 3.15Å; R22-F57 HydrophobicContact CB-CD1 3.99Å; R22-F57 HydrophobicContact CB-CE1 3.5Å; R22-F57 VanDerWaalsContact CB-CE1 3.5Å; R22-F57 HydrophobicContact CB-CE2 4.34Å; R22-F57 HydrophobicContact CB-CZ 3.72Å; R22-F57 HydrophobicContact CG-CD1 4.5Å; R22-F57 HydrophobicContact CG-CD2 4.45Å; R22-F57 HydrophobicContact CG-CE1 3.88Å; R22-F57 HydrophobicContact CG-CE2 3.82Å; R22-F57 HydrophobicContact CG-CZ 3.52Å
23P68.3Low70.9Confident16 Ų1668.3 Ų68.310%0.10433%0.33CS..  trans-64.7153.9169-7.123.9000108.5Y20 K21 E27 I28Y20-P23 HydrophobicContact CE2-CG 4.37Å; Y20-P23 VanDerWaalsContact OH-CD 3.32Å; Y20-P23 WeakPolarHBondContact OH-CD 3.27Å; Y20-P23 WeakPolarHBondContact OH-CG 3.36Å; K21-P23 WeakPolarHBondContact O-CD 3.33Å; K21-P23 VanDerWaalsContact O-N 3.15Å; P23-E27 WeakPolarHBondContact CA-OE2 3.43Å; P23-E27 HydrophobicContact CB-CB 3.73Å; P23-E27 WeakPolarHBondContact CB-OE2 3.44Å; P23-I28 HydrophobicContact CB-CG1 4.08Å; P23-I28 HydrophobicContact CG-CG1 4.26Å
24T76Confident70.2Confident74 Ų7469.5 Ų69.545%0.45434%0.336SS..  trans-61.5158.4174.6660000110E26 E27 I28T24-E26 PolarHBondContact O-N 2.9Å; T24-E27 PolarHBondContact N-OE2 3.2Å; T24-E27 PolarHBondContact O-N 3.46Å; T24-E27 VanDerWaalsContact O-N 3.14Å; T24-E27 VanDerWaalsContact OG1-CG 3.3Å; T24-E27 WeakPolarHBondContact OG1-CG 3.26Å; T24-E27 PolarHBondContact OG1-N 3.34Å; T24-I28 WeakPolarHBondContact O-CG1 3.36Å; T24-I28 PolarHBondContact O-N 3.37Å
25H70.6Confident69.3Low100 Ų10072.7 Ų72.746%0.46336%0.355SS..Hα-helixtrans-55.8-38.7175.4-67.3151000111.1R22 I28 L29R22-H25 PolarHBondContact NH2-NE2 2.97Å; H25-I28 WeakPolarHBondContact O-CB 3.44Å; H25-I28 PolarHBondContact O-N 3.33Å; H25-L29 WeakPolarHBondContact O-CB 3.49Å; H25-L29 WeakPolarHBondContact O-CG 3.44Å; H25-L29 PolarHBondContact O-N 2.88Å
26E70.2Confident68.6Low146 Ų14674.3 Ų74.368%0.68237%0.365SS*.Hα-helixtrans-60.4-46.8175.1-65.7179.1174.200112.7T24 I28 L29 A30T24-E26 PolarHBondContact O-N 2.9Å; E26-I28 VanDerWaalsContact C-N 3.29Å; E26-I28 PolarHBondContact O-N 2.93Å; E26-L29 PolarHBondContact O-N 3.37Å; E26-A30 VanDerWaalsContact O-CB 3.26Å; E26-A30 WeakPolarHBondContact O-CB 3.35Å; E26-A30 PolarHBondContact O-N 3.49Å
27E75.3Confident68.3Low110 Ų11077.8 Ų77.851%0.51437%0.372SS..Hα-helixtrans-60.9-39.5176.6-74.8172.9154.100111.8P23 T24 K31P23-E27 WeakPolarHBondContact CA-OE2 3.43Å; P23-E27 HydrophobicContact CB-CB 3.73Å; P23-E27 WeakPolarHBondContact CB-OE2 3.44Å; T24-E27 PolarHBondContact N-OE2 3.2Å; T24-E27 PolarHBondContact O-N 3.46Å; T24-E27 VanDerWaalsContact O-N 3.14Å; T24-E27 VanDerWaalsContact OG1-CG 3.3Å; T24-E27 WeakPolarHBondContact OG1-CG 3.26Å; T24-E27 PolarHBondContact OG1-N 3.34Å; E27-K31 VanDerWaalsContact O-CB 3.24Å; E27-K31 WeakPolarHBondContact O-CB 3.41Å; E27-K31 PolarHBondContact O-N 3.14Å
28I71.1Confident68.5Low5 Ų581.5 Ų81.53%0.02641%0.41CS..Hα-helixtrans-64.4-48.8176.8-68.2163000110.3P23 T24 H25 E26 K31 C32 F49 L53P23-I28 HydrophobicContact CB-CG1 4.08Å; P23-I28 HydrophobicContact CG-CG1 4.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.36Å; T24-I28 PolarHBondContact O-N 3.37Å; H25-I28 WeakPolarHBondContact O-CB 3.44Å; H25-I28 PolarHBondContact O-N 3.33Å; E26-I28 VanDerWaalsContact C-N 3.29Å; E26-I28 PolarHBondContact O-N 2.93Å; I28-K31 PolarHBondContact O-N 3.13Å; I28-C32 WeakPolarHBondContact O-CB 3.23Å; I28-C32 PolarHBondContact O-N 3.28Å; I28-C32 PolarHBondContact O-SG 3.27Å; I28-F49 HydrophobicContact CG2-CE1 3.61Å; I28-F49 HydrophobicContact CG2-CZ 4.07Å; I28-L53 HydrophobicContact CD1-CD1 4.08Å; I28-L53 HydrophobicContact CG1-CD1 4.47Å; I28-L53 HydrophobicContact CG2-CD1 3.63Å
29L71Confident69.2Low38 Ų3882 Ų8220%0.19941%0.409CS..Hα-helixtrans-64.4-42.2-179.5-66.3170.6000111.1H25 E26 G33 I34 L35H25-L29 WeakPolarHBondContact O-CB 3.49Å; H25-L29 WeakPolarHBondContact O-CG 3.44Å; H25-L29 PolarHBondContact O-N 2.88Å; E26-L29 PolarHBondContact O-N 3.37Å; L29-G33 PolarHBondContact O-N 3.27Å; L29-I34 HydrophobicContact CB-CB 4.37Å; L29-I34 HydrophobicContact CD2-CB 4.01Å; L29-I34 HydrophobicContact CD2-CD1 3.87Å; L29-I34 HydrophobicContact CD2-CG2 3.65Å; L29-I34 WeakPolarHBondContact O-CB 3.35Å; L29-I34 PolarHBondContact O-N 2.97Å; L29-L35 HydrophobicContact CB-CD1 4.23Å; L29-L35 HydrophobicContact CB-CD2 3.75Å; L29-L35 HydrophobicContact CB-CG 3.66Å; L29-L35 HydrophobicContact CD1-CD2 4.07Å; L29-L35 PolarHBondContact O-N 3.37Å
30A71.8Confident69.9Low39 Ų3983 Ų8332%0.32243%0.425SS..Hα-helixtrans-61.6-51176.300000111.4E26 C32 G33 L35E26-A30 VanDerWaalsContact O-CB 3.26Å; E26-A30 WeakPolarHBondContact O-CB 3.35Å; E26-A30 PolarHBondContact O-N 3.49Å; A30-C32 VanDerWaalsContact C-N 3.28Å; A30-C32 PolarHBondContact O-N 3.3Å; A30-G33 PolarHBondContact O-N 3.15Å; A30-L35 HydrophobicContact CB-CD1 3.77Å
31K72.5Confident70.6Confident105 Ų10582.8 Ų82.846%0.45743%0.426SS..Hα-helixtrans-66.1-30.7-177.4-166.2178.9-175.71720113Y9 E27 I28 G33Y9-K31 VanDerWaalsContact CE1-NZ 3.34Å; Y9-K31 HydrophobicContact CE2-CD 4.36Å; Y9-K31 WeakPolarHBondContact OH-CD 3.35Å; Y9-K31 PolarHBondContact OH-NZ 2.97Å; E27-K31 VanDerWaalsContact O-CB 3.24Å; E27-K31 WeakPolarHBondContact O-CB 3.41Å; E27-K31 PolarHBondContact O-N 3.14Å; I28-K31 PolarHBondContact O-N 3.13Å; K31-G33 PolarHBondContact O-N 3.43Å
32C69.6Low71.4Confident4 Ų477.6 Ų77.63%0.02741%0.41CS..THydrogen-bonded Turntrans-81.5-1.2176.1-64.20000113.3M1 M2 I28 A30 I34 F49M1-C32 WeakPolarHBondContact CB-O 3.49Å; M1-C32 WeakPolarHBondContact CE-O 3.45Å; M2-C32 HydrophobicContact CG-CB 4.06Å; I28-C32 WeakPolarHBondContact O-CB 3.23Å; I28-C32 PolarHBondContact O-N 3.28Å; I28-C32 PolarHBondContact O-SG 3.27Å; A30-C32 VanDerWaalsContact C-N 3.28Å; A30-C32 PolarHBondContact O-N 3.3Å; C32-I34 HydrophobicContact CB-CD1 3.64Å; C32-I34 HydrophobicContact CB-CG1 3.71Å; C32-I34 PolarHBondContact O-N 2.94Å; C32-F49 WeakPolarHBondContact SG-CZ 3.49Å
33G68.4Low72.1Confident12 Ų1277.5 Ų77.512%0.12442%0.423CS..THydrogen-bonded Turntrans7011.3-175.900000113.5L29 A30 K31 F36 Y37L29-G33 PolarHBondContact O-N 3.27Å; A30-G33 PolarHBondContact O-N 3.15Å; K31-G33 PolarHBondContact O-N 3.43Å; G33-F36 CarbonylContact O-C 3.59Å; G33-F36 PolarHBondContact O-N 2.85Å; G33-Y37 PolarHBondContact O-N 3.15Å; G33-Y37 VanDerWaalsContact O-N 3.15Å
34I69.1Low72.9Confident26 Ų2679.7 Ų79.713%0.13343%0.434CS..G310 helixtrans-69-39.6-174.8-64.8170.2000110.4M2 L29 C32 F36 Y37 I41 L46M2-I34 HydrophobicContact CE-CD1 3.34Å; M2-I34 HydrophobicContact CE-CG1 3.64Å; M2-I34 HydrophobicContact CG-CD1 4.4Å; M2-I34 HydrophobicContact SD-CD1 4.45Å; L29-I34 HydrophobicContact CB-CB 4.37Å; L29-I34 HydrophobicContact CD2-CB 4.01Å; L29-I34 HydrophobicContact CD2-CD1 3.87Å; L29-I34 HydrophobicContact CD2-CG2 3.65Å; L29-I34 WeakPolarHBondContact O-CB 3.35Å; L29-I34 PolarHBondContact O-N 2.97Å; C32-I34 HydrophobicContact CB-CD1 3.64Å; C32-I34 HydrophobicContact CB-CG1 3.71Å; C32-I34 PolarHBondContact O-N 2.94Å; I34-F36 PolarHBondContact O-N 3.23Å; I34-Y37 WeakPolarHBondContact O-CB 3.25Å; I34-Y37 PolarHBondContact O-N 3.46Å; I34-I41 HydrophobicContact CB-CD1 3.91Å; I34-I41 HydrophobicContact CD1-CD1 4.11Å; I34-I41 HydrophobicContact CG1-CD1 3.56Å; I34-I41 HydrophobicContact CG2-CD1 3.37Å; I34-L46 HydrophobicContact CD1-CD2 4.47Å
35L63.7Low73.3Confident101 Ų10178.6 Ų78.653%0.52943%0.425SS..G310 helixtrans-61.4-23.4175.8-63.7178.6000112.8L29 A30L29-L35 HydrophobicContact CB-CD1 4.23Å; L29-L35 HydrophobicContact CB-CD2 3.75Å; L29-L35 HydrophobicContact CB-CG 3.66Å; L29-L35 HydrophobicContact CD1-CD2 4.07Å; L29-L35 PolarHBondContact O-N 3.37Å; A30-L35 HydrophobicContact CB-CD1 3.77Å
36F67.9Low73.9Confident170 Ų17076 Ų7675%0.74641%0.414SS*.G310 helixtrans-102.20.2-179.9-52.4-73000112.5G33 I34 G38G33-F36 CarbonylContact O-C 3.59Å; G33-F36 PolarHBondContact O-N 2.85Å; I34-F36 PolarHBondContact O-N 3.23Å; F36-G38 PolarHBondContact O-N 2.83Å
37Y67.6Low74.7Confident121 Ų12174.7 Ų74.748%0.47540%0.403SS..  trans-86.1107.8-178.5-162-108.5000108.8G33 I34 Q39 I41G33-Y37 PolarHBondContact O-N 3.15Å; G33-Y37 VanDerWaalsContact O-N 3.15Å; I34-Y37 WeakPolarHBondContact O-CB 3.25Å; I34-Y37 PolarHBondContact O-N 3.46Å; Y37-Q39 HydrophobicContact CD1-CB 4.24Å; Y37-Q39 WeakPolarHBondContact CD1-O 3.47Å; Y37-Q39 HydrophobicContact CE1-CB 3.8Å; Y37-Q39 PolarHBondContact O-N 3.26Å; Y37-I41 HydrophobicContact CD1-CD1 4.42Å; Y37-I41 HydrophobicContact CD1-CG1 3.86Å; Y37-I41 HydrophobicContact CE1-CG1 4.37Å
38G67Low75.2Confident84 Ų8469.4 Ų69.487%0.86638%0.379SS*.SBendtrans-69.71.6-173.400000116F36F36-G38 PolarHBondContact O-N 2.83Å
39Q74.6Confident75.9Confident131 Ų13169.3 Ų69.361%0.61238%0.378SS*.SBendtrans-119.3146178.9-69.3-176.5-1300110.8Y37 I41Y37-Q39 HydrophobicContact CD1-CB 4.24Å; Y37-Q39 WeakPolarHBondContact CD1-O 3.47Å; Y37-Q39 HydrophobicContact CE1-CB 3.8Å; Y37-Q39 PolarHBondContact O-N 3.26Å; Q39-I41 PolarHBondContact O-N 3.3Å
40P75.7Confident76.6Confident125 Ų12571 Ų7181%0.81238%0.382SS*.PPolyproline II helixtrans-61.8130.6175.126.2-33.5000110.2
41I77.7Confident77.4Confident30 Ų3072.1 Ų72.115%0.15438%0.379CS..PPolyproline II helixtrans-79.5131.3178.2-59.6175.6000108.7M2 I34 Y37 Q39 V43 I45 L46M2-I41 HydrophobicContact CE-CD1 3.61Å; M2-I41 HydrophobicContact CE-CG2 4.02Å; I34-I41 HydrophobicContact CB-CD1 3.91Å; I34-I41 HydrophobicContact CD1-CD1 4.11Å; I34-I41 HydrophobicContact CG1-CD1 3.56Å; I34-I41 HydrophobicContact CG2-CD1 3.37Å; Y37-I41 HydrophobicContact CD1-CD1 4.42Å; Y37-I41 HydrophobicContact CD1-CG1 3.86Å; Y37-I41 HydrophobicContact CE1-CG1 4.37Å; Q39-I41 PolarHBondContact O-N 3.3Å; I41-V43 PolarHBondContact O-N 3.29Å; I41-I45 HydrophobicContact CG2-CB 4.1Å; I41-I45 HydrophobicContact CG2-CG2 3.97Å; I41-L46 HydrophobicContact CB-CD1 4.16Å; I41-L46 HydrophobicContact CB-CD2 4.24Å; I41-L46 HydrophobicContact CB-CG 4.04Å; I41-L46 HydrophobicContact CD1-CD2 4.33Å; I41-L46 HydrophobicContact CG2-CD1 4.39Å; I41-L46 HydrophobicContact CG2-CD2 4Å; I41-L46 HydrophobicContact CG2-CG 3.75Å
42P82.7Confident78.1Confident70 Ų7067.4 Ų67.446%0.45536%0.359SS..PPolyproline II helixtrans-51.4134.5175.5-29.535.6000113.2N44 I45 L46P42-N44 VanDerWaalsContact C-N 3.26Å; P42-N44 WeakPolarHBondContact CB-OD1 3.41Å; P42-N44 PolarHBondContact O-N 3.18Å; P42-I45 HydrophobicContact CB-CD1 4.04Å; P42-I45 HydrophobicContact CB-CG1 4.25Å; P42-I45 HydrophobicContact CG-CD1 3.93Å; P42-I45 WeakPolarHBondContact O-CB 3.47Å; P42-I45 PolarHBondContact O-N 3.29Å; P42-L46 PolarHBondContact O-N 3.24Å
43V83.9Confident78.9Confident121 Ų12167.4 Ų67.473%0.73336%0.358SS*.Hα-helixtrans-57.9-37.2-174.8178.60000112.3I41 I45 L46 Y47I41-V43 PolarHBondContact O-N 3.29Å; V43-I45 PolarHBondContact O-N 3.4Å; V43-L46 PolarHBondContact O-N 3.29Å; V43-Y47 WeakPolarHBondContact O-CB 3.46Å; V43-Y47 PolarHBondContact O-N 3.46Å
44N83.9Confident79.8Confident61 Ų6170.7 Ų70.733%0.32637%0.37SS..Hα-helixtrans-63-38.4176.960.5-23.5000112.9P42 A48P42-N44 VanDerWaalsContact C-N 3.26Å; P42-N44 WeakPolarHBondContact CB-OD1 3.41Å; P42-N44 PolarHBondContact O-N 3.18Å; N44-A48 WeakPolarHBondContact O-CB 3.47Å; N44-A48 PolarHBondContact O-N 3.29Å
45I85.1Confident80.7Confident51 Ų5170 Ų7026%0.26237%0.367SS..Hα-helixtrans-66.8-46.9176.2-66.6173.1000109.9M2 I41 P42 V43 A48 F49 L179 F180M2-I45 HydrophobicContact CE-CG2 4.2Å; M2-I45 HydrophobicContact SD-CG2 3.88Å; I41-I45 HydrophobicContact CG2-CB 4.1Å; I41-I45 HydrophobicContact CG2-CG2 3.97Å; P42-I45 HydrophobicContact CB-CD1 4.04Å; P42-I45 HydrophobicContact CB-CG1 4.25Å; P42-I45 HydrophobicContact CG-CD1 3.93Å; P42-I45 WeakPolarHBondContact O-CB 3.47Å; P42-I45 PolarHBondContact O-N 3.29Å; V43-I45 PolarHBondContact O-N 3.4Å; I45-A48 PolarHBondContact O-N 3.39Å; I45-F49 VanDerWaalsContact O-CB 3.29Å; I45-F49 WeakPolarHBondContact O-CB 3.45Å; I45-F49 PolarHBondContact O-N 3.32Å; I45-L179 HydrophobicContact CG2-CD2 3.89Å; I45-F180 HydrophobicContact CG1-CE1 4.38Å; I45-F180 HydrophobicContact CG1-CZ 3.76Å
46L83.2Confident81.9Confident46 Ų4665.2 Ų65.224%0.24134%0.342CS..Hα-helixtrans-60.7-46.8177.8-73.2172.8000111.3M2 I34 I41 P42 V43 F49 Y50M2-L46 HydrophobicContact CE-CD2 4.45Å; I34-L46 HydrophobicContact CD1-CD2 4.47Å; I41-L46 HydrophobicContact CB-CD1 4.16Å; I41-L46 HydrophobicContact CB-CD2 4.24Å; I41-L46 HydrophobicContact CB-CG 4.04Å; I41-L46 HydrophobicContact CD1-CD2 4.33Å; I41-L46 HydrophobicContact CG2-CD1 4.39Å; I41-L46 HydrophobicContact CG2-CD2 4Å; I41-L46 HydrophobicContact CG2-CG 3.75Å; P42-L46 PolarHBondContact O-N 3.24Å; V43-L46 PolarHBondContact O-N 3.29Å; L46-F49 PolarHBondContact O-N 3.01Å; L46-Y50 HydrophobicContact CB-CD2 4.47Å; L46-Y50 HydrophobicContact CD2-CE2 4.45Å; L46-Y50 WeakPolarHBondContact O-CD2 3.43Å; L46-Y50 PolarHBondContact O-N 2.98Å
47Y86.2Confident82.7Confident118 Ų11858 Ų5846%0.46331%0.31SS..Hα-helixtrans-57.8-51.1177.2175.2-92.7000111.8V43 F49 Y50 Y51 T139V43-Y47 WeakPolarHBondContact O-CB 3.46Å; V43-Y47 PolarHBondContact O-N 3.46Å; Y47-F49 VanDerWaalsContact C-N 3.27Å; Y47-F49 PolarHBondContact O-N 3.42Å; Y47-Y50 PolarHBondContact O-N 3.28Å; Y47-Y51 WeakPolarHBondContact O-CB 3.07Å; Y47-Y51 PolarHBondContact O-N 3.21Å; Y47-T139 HydrophobicContact CD1-CG2 3.41Å; Y47-T139 VanDerWaalsContact CD1-CG2 3.41Å; Y47-T139 HydrophobicContact CE1-CG2 3.88Å; Y47-T139 HydrophobicContact CG-CG2 4.45Å
48A87Confident83.6Confident0 Ų053.9 Ų53.90%030%0.302CS..Hα-helixtrans-60.8-39.2179.300000111.5N44 I45 Q52 L179 F180N44-A48 WeakPolarHBondContact O-CB 3.47Å; N44-A48 PolarHBondContact O-N 3.29Å; I45-A48 PolarHBondContact O-N 3.39Å; A48-Q52 VanDerWaalsContact O-CG 3.25Å; A48-Q52 WeakPolarHBondContact O-CG 3.22Å; A48-Q52 PolarHBondContact O-N 3.18Å; A48-Q52 VanDerWaalsContact O-N 3.08Å; A48-L179 HydrophobicContact CB-CD2 4.42Å; A48-L179 HydrophobicContact CB-CG 4.04Å; A48-F180 HydrophobicContact CB-CD1 3.7Å; A48-F180 HydrophobicContact CB-CE1 3.94Å
49F86.1Confident84.7Confident3 Ų349.9 Ų49.91%0.01326%0.26CS..Hα-helixtrans-65.4-48.9176.9-178.6-103.3000113.1M2 L6 I28 C32 I45 L46 Y47 Y51 Q52 L53 L179M2-F49 HydrophobicContact CB-CD2 3.73Å; M2-F49 HydrophobicContact CB-CE2 3.71Å; M2-F49 HydrophobicContact CG-CD2 3.96Å; M2-F49 HydrophobicContact CG-CE2 3.97Å; M2-F49 HydrophobicContact CG-CG 4.43Å; M2-F49 HydrophobicContact CG-CZ 4.48Å; M2-F49 HydrophobicContact SD-CB 4.17Å; M2-F49 HydrophobicContact SD-CD2 3.96Å; M2-F49 HydrophobicContact SD-CG 3.97Å; L6-F49 HydrophobicContact CD1-CD2 3.67Å; L6-F49 HydrophobicContact CD1-CE2 3.85Å; L6-F49 HydrophobicContact CD2-CD2 4.5Å; L6-F49 HydrophobicContact CD2-CE2 4.15Å; L6-F49 HydrophobicContact CG-CD2 4.04Å; L6-F49 HydrophobicContact CG-CE2 3.67Å; I28-F49 HydrophobicContact CG2-CE1 3.61Å; I28-F49 HydrophobicContact CG2-CZ 4.07Å; C32-F49 WeakPolarHBondContact SG-CZ 3.49Å; I45-F49 VanDerWaalsContact O-CB 3.29Å; I45-F49 WeakPolarHBondContact O-CB 3.45Å; I45-F49 PolarHBondContact O-N 3.32Å; L46-F49 PolarHBondContact O-N 3.01Å; Y47-F49 VanDerWaalsContact C-N 3.27Å; Y47-F49 PolarHBondContact O-N 3.42Å; F49-Y51 VanDerWaalsContact C-N 3.31Å; F49-Y51 PolarHBondContact O-N 3.18Å; F49-Q52 PolarHBondContact O-N 2.92Å; F49-L53 HydrophobicContact CD1-CD1 3.89Å; F49-L53 HydrophobicContact CE1-CD1 3.32Å; F49-L53 HydrophobicContact CE1-CG 4.13Å; F49-L53 HydrophobicContact CZ-CD1 3.7Å; F49-L53 HydrophobicContact CZ-CD2 4.37Å; F49-L53 HydrophobicContact CZ-CG 4.13Å; F49-L53 PolarHBondContact O-N 2.98Å; F49-L179 HydrophobicContact CB-CD1 4.09Å; F49-L179 HydrophobicContact CB-CD2 4.43Å; F49-L179 HydrophobicContact CD2-CD1 4.06Å
50Y84.6Confident85.3Confident72 Ų7243.8 Ų43.828%0.28223%0.232SC..Hα-helixtrans-62.2-39.6176.2-80.1-64.3000112.1L46 Y47 Q52 L53 E54L46-Y50 HydrophobicContact CB-CD2 4.47Å; L46-Y50 HydrophobicContact CD2-CE2 4.45Å; L46-Y50 WeakPolarHBondContact O-CD2 3.43Å; L46-Y50 PolarHBondContact O-N 2.98Å; Y47-Y50 PolarHBondContact O-N 3.28Å; Y50-Q52 VanDerWaalsContact C-N 3.34Å; Y50-Q52 PolarHBondContact O-N 2.89Å; Y50-L53 HydrophobicContact CD1-CD1 4.42Å; Y50-L53 PolarHBondContact O-N 3.01Å; Y50-E54 WeakPolarHBondContact O-CG 3.44Å; Y50-E54 PolarHBondContact O-N 3.39Å
51Y88.9Confident85.8Confident64 Ų6444.2 Ų44.225%0.25122%0.221SC..Hα-helixtrans-57.4-47.4174.2-177.6-85.1000111.7Y47 F49 L53 E54 N55 R136 L138Y47-Y51 WeakPolarHBondContact O-CB 3.07Å; Y47-Y51 PolarHBondContact O-N 3.21Å; F49-Y51 VanDerWaalsContact C-N 3.31Å; F49-Y51 PolarHBondContact O-N 3.18Å; Y51-L53 VanDerWaalsContact C-N 3.3Å; Y51-L53 PolarHBondContact O-N 3.07Å; Y51-E54 PolarHBondContact O-N 2.87Å; Y51-N55 WeakPolarHBondContact O-CB 3.5Å; Y51-N55 PolarHBondContact O-N 2.85Å; Y51-R136 PolarHBondContact OH-NH2 3.13Å; Y51-L138 HydrophobicContact CD1-CD1 3.44Å; Y51-L138 VanDerWaalsContact CD1-CD1 3.44Å; Y51-L138 HydrophobicContact CD1-CD2 3.65Å; Y51-L138 HydrophobicContact CD1-CG 4.21Å; Y51-L138 HydrophobicContact CE1-CD1 4.01Å; Y51-L138 HydrophobicContact CE1-CD2 3.42Å; Y51-L138 VanDerWaalsContact CE1-CD2 3.42Å; Y51-L138 HydrophobicContact CE1-CG 4.37Å; Y51-L138 HydrophobicContact CE2-CD2 4.41Å; Y51-L138 HydrophobicContact CG-CD1 4.09Å; Y51-L138 HydrophobicContact CG-CD2 4.24Å
52Q88.2Confident86.4Confident6 Ų642.9 Ų42.93%0.02821%0.214CC..Hα-helixtrans-64.5-34.5178.7-67.8-66.1-22.100112.2L6 A48 F49 Y50 L56 L138 L179 L181L6-Q52 HydrophobicContact CD1-CB 4Å; L6-Q52 HydrophobicContact CD1-CG 4.49Å; L6-Q52 HydrophobicContact CD2-CB 3.98Å; A48-Q52 VanDerWaalsContact O-CG 3.25Å; A48-Q52 WeakPolarHBondContact O-CG 3.22Å; A48-Q52 PolarHBondContact O-N 3.18Å; A48-Q52 VanDerWaalsContact O-N 3.08Å; F49-Q52 PolarHBondContact O-N 2.92Å; Y50-Q52 VanDerWaalsContact C-N 3.34Å; Y50-Q52 PolarHBondContact O-N 2.89Å; Q52-L56 WeakPolarHBondContact O-CB 3.44Å; Q52-L56 PolarHBondContact O-N 2.7Å; Q52-L138 HydrophobicContact CG-CD1 4.34Å; Q52-L138 VanDerWaalsContact NE2-CD1 3.26Å; Q52-L179 HydrophobicContact CG-CD1 4.39Å; Q52-L181 PolarHBondContact NE2-O 2.8Å
53L85.7Confident86.7Confident3 Ų340.4 Ų40.42%0.01620%0.197CC..Hα-helixtrans-67.2-47.6174.3-73.9175.9000112.4L6 I28 F49 Y50 Y51 N55 L56 F57L6-L53 HydrophobicContact CD2-CD2 3.73Å; L6-L53 HydrophobicContact CD2-CG 4.08Å; I28-L53 HydrophobicContact CD1-CD1 4.08Å; I28-L53 HydrophobicContact CG1-CD1 4.47Å; I28-L53 HydrophobicContact CG2-CD1 3.63Å; F49-L53 HydrophobicContact CD1-CD1 3.89Å; F49-L53 HydrophobicContact CE1-CD1 3.32Å; F49-L53 HydrophobicContact CE1-CG 4.13Å; F49-L53 HydrophobicContact CZ-CD1 3.7Å; F49-L53 HydrophobicContact CZ-CD2 4.37Å; F49-L53 HydrophobicContact CZ-CG 4.13Å; F49-L53 PolarHBondContact O-N 2.98Å; Y50-L53 HydrophobicContact CD1-CD1 4.42Å; Y50-L53 PolarHBondContact O-N 3.01Å; Y51-L53 VanDerWaalsContact C-N 3.3Å; Y51-L53 PolarHBondContact O-N 3.07Å; L53-N55 VanDerWaalsContact C-N 3.28Å; L53-N55 PolarHBondContact O-N 3Å; L53-L56 WeakPolarHBondContact O-CB 3.49Å; L53-L56 PolarHBondContact O-N 3.15Å; L53-L56 VanDerWaalsContact O-N 3.13Å; L53-F57 HydrophobicContact CB-CE2 4.15Å; L53-F57 WeakPolarHBondContact O-CD2 3.46Å; L53-F57 PolarHBondContact O-N 2.71Å
54E86.7Confident86.9Confident82 Ų8238.1 Ų38.138%0.38318%0.178SC..Hα-helixtrans-59.9-41.4175.9-69-60.1150.600111.3R22 Y50 Y51 L56 F57 A58R22-E54 IonicContact CZ-OE1 3.63Å; R22-E54 IonicContact NH1-OE1 3.85Å; R22-E54 PolarHBondContact NH1-OE1 3.32Å; R22-E54 IonicContact NH1-OE2 2.6Å; R22-E54 PolarHBondContact NH1-OE2 3.4Å; R22-E54 IonicContact NH2-OE1 2.86Å; R22-E54 PolarHBondContact NH2-OE1 3.15Å; Y50-E54 WeakPolarHBondContact O-CG 3.44Å; Y50-E54 PolarHBondContact O-N 3.39Å; Y51-E54 PolarHBondContact O-N 2.87Å; E54-L56 PolarHBondContact O-N 3.4Å; E54-F57 PolarHBondContact O-N 3.35Å; E54-A58 PolarHBondContact O-N 2.68Å
55N89.2Confident87.1Confident10 Ų1037.3 Ų37.35%0.05318%0.177CC..Hα-helixtrans-59.9-44.8173.7-177.157.2000112Y51 L53 F57 A58 M59 L117 G118Y51-N55 WeakPolarHBondContact O-CB 3.5Å; Y51-N55 PolarHBondContact O-N 2.85Å; L53-N55 VanDerWaalsContact C-N 3.28Å; L53-N55 PolarHBondContact O-N 3Å; N55-F57 PolarHBondContact O-N 2.72Å; N55-A58 PolarHBondContact O-N 3.36Å; N55-M59 VanDerWaalsContact O-CB 3.28Å; N55-M59 WeakPolarHBondContact O-CB 3.26Å; N55-M59 PolarHBondContact O-N 3.1Å; N55-L117 WeakPolarHBondContact OD1-CD2 3.34Å; N55-G118 WeakPolarHBondContact ND2-CA 3.46Å; N55-G118 PolarHBondContact ND2-O 3.26Å; N55-G118 PolarHBondContact OD1-N 3.29Å
56L87.9Confident87.3Confident2 Ų235.5 Ų35.51%0.0117%0.168CC..Hα-helixtrans-61.4-40.7176.8178.574.7000112.2Y9 L13 Y20 Q52 L53 E54 M59 S60 I120Y9-L56 VanDerWaalsContact CB-CD2 3.44Å; Y9-L56 HydrophobicContact CD2-CD2 4.5Å; Y9-L56 HydrophobicContact CG-CD2 4.18Å; L13-L56 HydrophobicContact CB-CD1 4.48Å; L13-L56 HydrophobicContact CD2-CD1 3.72Å; Y20-L56 HydrophobicContact CD1-CD2 3.85Å; Y20-L56 HydrophobicContact CD1-CG 4.2Å; Y20-L56 HydrophobicContact CE1-CD2 3.66Å; Y20-L56 HydrophobicContact CE1-CG 4.46Å; Q52-L56 WeakPolarHBondContact O-CB 3.44Å; Q52-L56 PolarHBondContact O-N 2.7Å; L53-L56 WeakPolarHBondContact O-CB 3.49Å; L53-L56 PolarHBondContact O-N 3.15Å; L53-L56 VanDerWaalsContact O-N 3.13Å; E54-L56 PolarHBondContact O-N 3.4Å; L56-M59 PolarHBondContact O-N 3.19Å; L56-S60 PolarHBondContact O-N 2.7Å; L56-I120 HydrophobicContact CD1-CG2 4.23Å
57F84.9Confident87.5Confident17 Ų1736.3 Ų36.38%0.07517%0.168CC..Hα-helixtrans-66.2-40.9176-70.5-57.6000113Y20 R22 L53 E54 N55 M59 S60 K61Y20-F57 AromaticContact CD1-CD1 3.41Å; Y20-F57 HydrophobicContact CD1-CD1 3.41Å; Y20-F57 VanDerWaalsContact CD1-CD1 3.41Å; Y20-F57 AromaticContact CD1-CE1 3.03Å; Y20-F57 HydrophobicContact CD1-CE1 3.03Å; Y20-F57 HydrophobicContact CD1-CG 4.45Å; Y20-F57 AromaticContact CD1-CZ 3.89Å; Y20-F57 HydrophobicContact CD1-CZ 3.89Å; Y20-F57 AromaticContact CE1-CD1 3.79Å; Y20-F57 HydrophobicContact CE1-CD1 3.79Å; Y20-F57 AromaticContact CE1-CE1 2.96Å; Y20-F57 HydrophobicContact CE1-CE1 2.96Å; Y20-F57 HydrophobicContact CE1-CE2 4.37Å; Y20-F57 AromaticContact CE1-CZ 3.32Å; Y20-F57 HydrophobicContact CE1-CZ 3.32Å; Y20-F57 HydrophobicContact CG-CD1 4.44Å; Y20-F57 HydrophobicContact CG-CE1 4.11Å; Y20-F57 AromaticContact CZ-CE1 3.97Å; R22-F57 HydrophobicContact CB-CD1 3.99Å; R22-F57 HydrophobicContact CB-CE1 3.5Å; R22-F57 VanDerWaalsContact CB-CE1 3.5Å; R22-F57 HydrophobicContact CB-CE2 4.34Å; R22-F57 HydrophobicContact CB-CZ 3.72Å; R22-F57 HydrophobicContact CG-CD1 4.5Å; R22-F57 HydrophobicContact CG-CD2 4.45Å; R22-F57 HydrophobicContact CG-CE1 3.88Å; R22-F57 HydrophobicContact CG-CE2 3.82Å; R22-F57 HydrophobicContact CG-CZ 3.52Å; L53-F57 HydrophobicContact CB-CE2 4.15Å; L53-F57 WeakPolarHBondContact O-CD2 3.46Å; L53-F57 PolarHBondContact O-N 2.71Å; E54-F57 PolarHBondContact O-N 3.35Å; N55-F57 PolarHBondContact O-N 2.72Å; F57-M59 VanDerWaalsContact C-N 3.33Å; F57-S60 PolarHBondContact O-N 3.24Å; F57-S60 PolarHBondContact O-OG 2.89Å; F57-K61 PolarHBondContact O-N 2.95Å
58A87.4Confident87.7Confident36 Ų3633.7 Ų33.730%0.29816%0.164SC..Hα-helixtrans-66.6-40.317500000110.9E54 N55 S60 K61 V62 L117E54-A58 PolarHBondContact O-N 2.68Å; N55-A58 PolarHBondContact O-N 3.36Å; A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.14Å; A58-K61 PolarHBondContact O-N 3.46Å; A58-V62 PolarHBondContact O-N 2.83Å; A58-L117 HydrophobicContact CB-CD1 4.12Å; A58-L117 HydrophobicContact CB-CD2 3.46Å; A58-L117 VanDerWaalsContact CB-CD2 3.46Å; A58-L117 HydrophobicContact CB-CG 4.44Å
59M89.6Confident87.9Confident0 Ų033.8 Ų33.80%017%0.165CC..Hα-helixtrans-64.2-35.4175.9-168.360.772.800112.3L13 N55 L56 F57 K61 V62 I63 L114 L117 G118 I120 T185 E189L13-M59 HydrophobicContact CD2-CB 4.34Å; L13-M59 HydrophobicContact CD2-CG 4.29Å; N55-M59 VanDerWaalsContact O-CB 3.28Å; N55-M59 WeakPolarHBondContact O-CB 3.26Å; N55-M59 PolarHBondContact O-N 3.1Å; L56-M59 PolarHBondContact O-N 3.19Å; F57-M59 VanDerWaalsContact C-N 3.33Å; M59-K61 VanDerWaalsContact C-N 3.32Å; M59-K61 PolarHBondContact O-N 3.43Å; M59-V62 PolarHBondContact O-N 3.4Å; M59-V62 HydrophobicContact SD-CB 4.5Å; M59-I63 HydrophobicContact CG-CD1 3.78Å; M59-I63 HydrophobicContact CG-CG1 4.24Å; M59-I63 WeakPolarHBondContact O-CG1 3.43Å; M59-I63 PolarHBondContact O-N 3.41Å; M59-I63 HydrophobicContact SD-CD1 4.32Å; M59-I63 HydrophobicContact SD-CG1 4.35Å; M59-L114 HydrophobicContact CE-CD2 3.84Å; M59-L114 HydrophobicContact SD-CD2 3.69Å; M59-L117 HydrophobicContact CE-CB 3.8Å; M59-L117 HydrophobicContact CE-CD1 4.13Å; M59-L117 HydrophobicContact SD-CD1 4.45Å; M59-G118 WeakPolarHBondContact CE-O 3.31Å; M59-I120 HydrophobicContact CB-CG2 4.36Å; M59-I120 HydrophobicContact CG-CD1 3.81Å; M59-I120 HydrophobicContact CG-CG1 4.02Å; M59-I120 HydrophobicContact CG-CG2 4Å; M59-T185 HydrophobicContact CE-CG2 3.86Å; M59-E189 HydrophobicContact CE-CG 4.12Å; M59-E189 HydrophobicContact SD-CG 3.98Å
60S86.6Confident88.1Confident2 Ų236.8 Ų36.81%0.01418%0.18CC..Hα-helixtrans-62.4-41.1179.275.10000112L56 F57 A58 V62 I63 H64L56-S60 PolarHBondContact O-N 2.7Å; F57-S60 PolarHBondContact O-N 3.24Å; F57-S60 PolarHBondContact O-OG 2.89Å; A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.14Å; S60-V62 PolarHBondContact O-N 3.43Å; S60-I63 PolarHBondContact O-N 3.02Å; S60-H64 WeakPolarHBondContact O-CB 3.34Å; S60-H64 PolarHBondContact O-N 3.37Å
61K87.3Confident88.2Confident135 Ų13538 Ų3859%0.58719%0.191SC*.Hα-helixtrans-63.1-40.6174.2-65.1179.5179.8-178.30112.2F57 A58 M59 S65F57-K61 PolarHBondContact O-N 2.95Å; A58-K61 PolarHBondContact O-N 3.46Å; M59-K61 VanDerWaalsContact C-N 3.32Å; M59-K61 PolarHBondContact O-N 3.43Å; K61-S65 WeakPolarHBondContact O-CB 3.33Å; K61-S65 PolarHBondContact O-N 2.99Å; K61-S65 PolarHBondContact O-OG 3.31Å
62V90.3Very high88.3Confident2 Ų237.4 Ų37.41%0.01219%0.188CC..Hα-helixtrans-66-49.8177.61740000110.9A58 M59 S60 H64 S65 I66 C110 L113 L114 L117A58-V62 PolarHBondContact O-N 2.83Å; M59-V62 PolarHBondContact O-N 3.4Å; M59-V62 HydrophobicContact SD-CB 4.5Å; S60-V62 PolarHBondContact O-N 3.43Å; V62-H64 VanDerWaalsContact C-N 3.34Å; V62-H64 PolarHBondContact O-N 3.02Å; V62-S65 WeakPolarHBondContact O-CB 3.46Å; V62-S65 PolarHBondContact O-N 3.43Å; V62-I66 HydrophobicContact CG1-CD1 3.88Å; V62-I66 HydrophobicContact CG1-CG1 4.49Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.38Å; V62-C110 HydrophobicContact CG1-CB 4.09Å; V62-L113 HydrophobicContact CG2-CB 3.92Å; V62-L113 HydrophobicContact CG2-CD1 3.94Å; V62-L114 HydrophobicContact CG1-CD1 4.49Å; V62-L114 HydrophobicContact CG1-CD2 3.86Å; V62-L114 HydrophobicContact CG1-CG 4.02Å; V62-L117 HydrophobicContact CG2-CD1 3.96Å
63I87.9Confident88.4Confident18 Ų1837.1 Ų37.19%0.09219%0.187CC..Hα-helixtrans-63.8-41.4-179.9-71.7174.9000111.2L13 M59 S60 I66 R67 I120L13-I63 HydrophobicContact CD1-CB 4.4Å; L13-I63 HydrophobicContact CD1-CG2 4.35Å; L13-I63 HydrophobicContact CD2-CD1 4.03Å; L13-I63 HydrophobicContact CG-CD1 3.9Å; M59-I63 HydrophobicContact CG-CD1 3.78Å; M59-I63 HydrophobicContact CG-CG1 4.24Å; M59-I63 WeakPolarHBondContact O-CG1 3.43Å; M59-I63 PolarHBondContact O-N 3.41Å; M59-I63 HydrophobicContact SD-CD1 4.32Å; M59-I63 HydrophobicContact SD-CG1 4.35Å; S60-I63 PolarHBondContact O-N 3.02Å; I63-I66 PolarHBondContact O-N 3.45Å; I63-R67 WeakPolarHBondContact O-CG 3.39Å; I63-R67 PolarHBondContact O-N 2.89Å; I63-I120 HydrophobicContact CD1-CD1 3.4Å; I63-I120 HydrophobicContact CD1-CG1 4.35Å
64H87.3Confident88.4Confident73 Ų7339.5 Ų39.534%0.33820%0.2SC..Hα-helixtrans-59.9-47.2174.4-176.770.1000111S60 V62 I66 R67 T68S60-H64 WeakPolarHBondContact O-CB 3.34Å; S60-H64 PolarHBondContact O-N 3.37Å; V62-H64 VanDerWaalsContact C-N 3.34Å; V62-H64 PolarHBondContact O-N 3.02Å; H64-I66 VanDerWaalsContact C-N 3.35Å; H64-I66 PolarHBondContact O-N 2.98Å; H64-R67 PolarHBondContact O-N 3.24Å; H64-R67 VanDerWaalsContact O-N 3.16Å; H64-T68 PolarHBondContact O-N 3.12Å; H64-T68 PolarHBondContact O-OG1 3.02Å; H64-T68 VanDerWaalsContact O-OG1 3.05Å
65S89.3Confident88.4Confident44 Ų4438.5 Ų38.531%0.30821%0.206SC..Hα-helixtrans-59.6-43.2176.9-58.70000112.6K61 V62 R67 T68 V69K61-S65 WeakPolarHBondContact O-CB 3.33Å; K61-S65 PolarHBondContact O-N 2.99Å; K61-S65 PolarHBondContact O-OG 3.31Å; V62-S65 WeakPolarHBondContact O-CB 3.46Å; V62-S65 PolarHBondContact O-N 3.43Å; S65-R67 VanDerWaalsContact C-N 3.33Å; S65-R67 PolarHBondContact O-N 2.9Å; S65-T68 PolarHBondContact O-N 3.07Å; S65-V69 VanDerWaalsContact O-CG2 3.29Å; S65-V69 WeakPolarHBondContact O-CG2 3.2Å; S65-V69 PolarHBondContact O-N 2.98Å; S65-V69 VanDerWaalsContact O-N 3.12Å
66I89.5Confident88.2Confident12 Ų1238.3 Ų38.36%0.06221%0.205CC..Hα-helixtrans-59.8-44.2176-72.1171.2000110.7V62 I63 H64 V69 M70 C110 I192 L193 L196V62-I66 HydrophobicContact CG1-CD1 3.88Å; V62-I66 HydrophobicContact CG1-CG1 4.49Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.38Å; I63-I66 PolarHBondContact O-N 3.45Å; H64-I66 VanDerWaalsContact C-N 3.35Å; H64-I66 PolarHBondContact O-N 2.98Å; I66-V69 PolarHBondContact O-N 3.48Å; I66-M70 WeakPolarHBondContact O-CB 3.32Å; I66-M70 PolarHBondContact O-N 2.93Å; I66-C110 HydrophobicContact CG1-CB 4.48Å; I66-I192 HydrophobicContact CG2-CG2 4.07Å; I66-L193 HydrophobicContact CD1-CB 4.32Å; I66-L193 HydrophobicContact CD1-CD1 4.17Å; I66-L193 HydrophobicContact CG1-CD1 4.06Å; I66-L196 HydrophobicContact CB-CD2 4.47Å; I66-L196 HydrophobicContact CG2-CD2 3.76Å; I66-L196 WeakPolarHBondContact O-CD2 3.49Å
67R87.8Confident88Confident64 Ų6440.7 Ų40.724%0.24222%0.216CC..Hα-helixtrans-67.4-45.6179.8-74.2172.6170.8-1391.8112.2W14 Y15 S16 G17 I63 H64 S65 V69 M70 D71W14-R67 PolarHBondContact O-NH2 3.37Å; W14-R67 VanDerWaalsContact O-NH2 3.16Å; Y15-R67 PolarHBondContact O-NH2 3.43Å; Y15-R67 VanDerWaalsContact O-NH2 3.1Å; S16-R67 PolarHBondContact O-NH1 3.44Å; G17-R67 VanDerWaalsContact N-NH2 3.16Å; I63-R67 WeakPolarHBondContact O-CG 3.39Å; I63-R67 PolarHBondContact O-N 2.89Å; H64-R67 PolarHBondContact O-N 3.24Å; H64-R67 VanDerWaalsContact O-N 3.16Å; S65-R67 VanDerWaalsContact C-N 3.33Å; S65-R67 PolarHBondContact O-N 2.9Å; R67-V69 VanDerWaalsContact C-N 3.26Å; R67-V69 PolarHBondContact O-N 2.93Å; R67-M70 HydrophobicContact CG-CE 4.42Å; R67-M70 CarbonylContact O-C 3.39Å; R67-M70 WeakPolarHBondContact O-CA 3.3Å; R67-M70 WeakPolarHBondContact O-CB 3.31Å; R67-M70 PolarHBondContact O-N 3.31Å; R67-D71 VanDerWaalsContact O-CG 3.32Å; R67-D71 PolarHBondContact O-N 3.32Å
68T89.6Confident87.8Confident63 Ų6344.5 Ų44.539%0.38724%0.237SC..Hα-helixtrans-55.8-43176-57.90000111.6H64 S65 W72H64-T68 PolarHBondContact O-N 3.12Å; H64-T68 PolarHBondContact O-OG1 3.02Å; H64-T68 VanDerWaalsContact O-OG1 3.05Å; S65-T68 PolarHBondContact O-N 3.07Å; T68-W72 VanDerWaalsContact O-CB 3.26Å; T68-W72 WeakPolarHBondContact O-CB 3.29Å; T68-W72 PolarHBondContact O-N 2.96Å
69V91Very high87.4Confident2 Ų245 Ų451%0.01223%0.233CC..Hα-helixtrans-66.5-40.4175.6176.70000111.5S65 I66 R67 L73 H103 A106 L107 L196 F200S65-V69 VanDerWaalsContact O-CG2 3.29Å; S65-V69 WeakPolarHBondContact O-CG2 3.2Å; S65-V69 PolarHBondContact O-N 2.98Å; S65-V69 VanDerWaalsContact O-N 3.12Å; I66-V69 PolarHBondContact O-N 3.48Å; R67-V69 VanDerWaalsContact C-N 3.26Å; R67-V69 PolarHBondContact O-N 2.93Å; V69-L73 WeakPolarHBondContact O-CB 3.31Å; V69-L73 PolarHBondContact O-N 3.03Å; V69-H103 HydrophobicContact CG1-CB 4.19Å; V69-H103 HydrophobicContact CG2-CB 4.09Å; V69-H103 WeakPolarHBondContact CG2-ND1 3.37Å; V69-A106 HydrophobicContact CG2-CB 4.47Å; V69-L107 HydrophobicContact CB-CD2 4.3Å; V69-L107 HydrophobicContact CG1-CD1 4Å; V69-L107 HydrophobicContact CG1-CD2 3.95Å; V69-L107 HydrophobicContact CG1-CG 4.02Å; V69-L107 HydrophobicContact CG2-CD2 4.32Å; V69-L107 HydrophobicContact CG2-CG 4.4Å; V69-L196 HydrophobicContact CB-CD2 4.21Å; V69-L196 HydrophobicContact CG1-CD2 4.15Å; V69-L196 HydrophobicContact CG1-CG 4.47Å; V69-F200 HydrophobicContact CG1-CD2 4.17Å; V69-F200 HydrophobicContact CG1-CE2 4.31Å
70M89.6Confident86.8Confident66 Ų6645.1 Ų45.133%0.32523%0.234SC..Hα-helixtrans-65.7-48.2179.5-175.6173.171.200112.1I66 R67 W72 L73 D74 L196I66-M70 WeakPolarHBondContact O-CB 3.32Å; I66-M70 PolarHBondContact O-N 2.93Å; R67-M70 HydrophobicContact CG-CE 4.42Å; R67-M70 CarbonylContact O-C 3.39Å; R67-M70 WeakPolarHBondContact O-CA 3.3Å; R67-M70 WeakPolarHBondContact O-CB 3.31Å; R67-M70 PolarHBondContact O-N 3.31Å; M70-W72 VanDerWaalsContact C-N 3.34Å; M70-W72 PolarHBondContact O-N 2.81Å; M70-L73 WeakPolarHBondContact O-CB 3.18Å; M70-L73 PolarHBondContact O-N 3.09Å; M70-L73 VanDerWaalsContact O-N 3.16Å; M70-D74 PolarHBondContact O-N 2.76Å; M70-L196 HydrophobicContact CB-CD1 4.05Å; M70-L196 HydrophobicContact CB-CD2 4.29Å; M70-L196 HydrophobicContact CG-CD1 4.36Å
71D88.4Confident86.2Confident98 Ų9849.1 Ų49.152%0.52426%0.262SS..Hα-helixtrans-63-42.2178.4-65.3-19.3000110.8R67 D74 A75R67-D71 VanDerWaalsContact O-CG 3.32Å; R67-D71 PolarHBondContact O-N 3.32Å; D71-D74 PolarHBondContact O-N 2.85Å; D71-A75 WeakPolarHBondContact O-CB 3.3Å; D71-A75 PolarHBondContact O-N 2.92Å
72W90.7Very high85.6Confident50 Ų5052.4 Ų52.419%0.18927%0.271CS..Hα-helixtrans-61.5-44.6173.6-179.990000111.5T68 M70 A75 T76 F96 T99 L100 H103 F200 F203T68-W72 VanDerWaalsContact O-CB 3.26Å; T68-W72 WeakPolarHBondContact O-CB 3.29Å; T68-W72 PolarHBondContact O-N 2.96Å; M70-W72 VanDerWaalsContact C-N 3.34Å; M70-W72 PolarHBondContact O-N 2.81Å; W72-A75 PolarHBondContact O-N 2.89Å; W72-T76 HydrophobicContact CH2-CG2 3.86Å; W72-T76 HydrophobicContact CZ2-CG2 4.02Å; W72-T76 HydrophobicContact CZ3-CG2 4.23Å; W72-T76 WeakPolarHBondContact O-CB 3.44Å; W72-T76 PolarHBondContact O-N 2.76Å; W72-T76 PolarHBondContact O-OG1 3.23Å; W72-F96 HydrophobicContact CH2-CD2 4.34Å; W72-F96 AromaticContact CH2-CE2 3.81Å; W72-F96 HydrophobicContact CH2-CE2 3.81Å; W72-F96 AromaticContact CZ2-CD2 3.92Å; W72-F96 HydrophobicContact CZ2-CD2 3.92Å; W72-F96 AromaticContact CZ2-CE2 3.81Å; W72-F96 HydrophobicContact CZ2-CE2 3.81Å; W72-T99 HydrophobicContact CD2-CG2 4.37Å; W72-T99 HydrophobicContact CZ2-CG2 3.94Å; W72-L100 HydrophobicContact CH2-CD2 3.52Å; W72-L100 HydrophobicContact CH2-CG 3.89Å; W72-L100 HydrophobicContact CZ3-CD2 4.02Å; W72-H103 AromaticContact CD1-NE2 3.61Å; W72-H103 AromaticContact CD2-CD2 3.39Å; W72-H103 AromaticContact CD2-NE2 3.42Å; W72-H103 AromaticContact CE2-CD2 3.87Å; W72-H103 AromaticContact CE2-NE2 3.92Å; W72-H103 AromaticContact CE3-CD2 3.46Å; W72-H103 VanDerWaalsContact CE3-CD2 3.46Å; W72-H103 AromaticContact CE3-NE2 3.95Å; W72-H103 AromaticContact CG-CD2 3.75Å; W72-H103 AromaticContact CG-NE2 3.23Å; W72-H103 AromaticContact NE1-NE2 4Å; W72-F200 HydrophobicContact CE3-CE2 4.36Å; W72-F200 AromaticContact CZ3-CE2 3.87Å; W72-F200 HydrophobicContact CZ3-CE2 3.87Å; W72-F203 HydrophobicContact CH2-CE1 4.33Å; W72-F203 HydrophobicContact CZ3-CE1 4.4Å
73L89.4Confident84.6Confident0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-64.3-41.8179.4-175.363.9000111.3V69 M70 T76 E77 L196 R199 F200 F203V69-L73 WeakPolarHBondContact O-CB 3.31Å; V69-L73 PolarHBondContact O-N 3.03Å; M70-L73 WeakPolarHBondContact O-CB 3.18Å; M70-L73 PolarHBondContact O-N 3.09Å; M70-L73 VanDerWaalsContact O-N 3.16Å; L73-T76 PolarHBondContact O-N 3.25Å; L73-E77 HydrophobicContact CD1-CG 4.16Å; L73-E77 HydrophobicContact CG-CG 4.36Å; L73-E77 VanDerWaalsContact O-CB 3.27Å; L73-E77 WeakPolarHBondContact O-CB 3.05Å; L73-E77 WeakPolarHBondContact O-CG 3.49Å; L73-E77 PolarHBondContact O-N 3.5Å; L73-L196 HydrophobicContact CD2-CD1 4.01Å; L73-R199 HydrophobicContact CD2-CB 4.17Å; L73-R199 HydrophobicContact CD2-CG 3.8Å; L73-F200 HydrophobicContact CD1-CD2 4.15Å; L73-F200 HydrophobicContact CD2-CB 4.46Å; L73-F200 HydrophobicContact CD2-CD2 4.36Å; L73-F203 HydrophobicContact CD1-CB 3.74Å; L73-F203 HydrophobicContact CD1-CD1 3.82Å; L73-F203 HydrophobicContact CD1-CD2 4.06Å; L73-F203 HydrophobicContact CD1-CG 3.58Å
74D87.3Confident83.4Confident53 Ų5359.6 Ų59.628%0.28331%0.308SS..Hα-helixtrans-61.1-49.4175.4-76.5-30000111.5M70 D71 T76 N78 R199M70-D74 PolarHBondContact O-N 2.76Å; D71-D74 PolarHBondContact O-N 2.85Å; D74-T76 VanDerWaalsContact C-N 3.3Å; D74-T76 PolarHBondContact O-N 2.96Å; D74-N78 WeakPolarHBondContact O-CB 3.34Å; D74-N78 PolarHBondContact O-N 3.03Å; D74-N78 VanDerWaalsContact O-N 3.08Å; D74-N78 PolarHBondContact O-ND2 3.46Å; D74-R199 IonicContact OD1-CZ 2.6Å; D74-R199 IonicContact OD1-NH1 2.89Å; D74-R199 PolarHBondContact OD1-NH1 3.37Å; D74-R199 IonicContact OD1-NH2 3.26Å; D74-R199 PolarHBondContact OD1-NH2 3.44Å
75A85.2Confident82.5Confident62 Ų6256.5 Ų56.551%0.51230%0.295SS..Hα-helixtrans-61-41.8177.500000111.7D71 W72 H79D71-A75 WeakPolarHBondContact O-CB 3.3Å; D71-A75 PolarHBondContact O-N 2.92Å; W72-A75 PolarHBondContact O-N 2.89Å; A75-H79 WeakPolarHBondContact O-CB 3.44Å; A75-H79 PolarHBondContact O-N 2.96Å
76T85.3Confident81.6Confident5 Ų554.6 Ų54.63%0.03128%0.281CS..Hα-helixtrans-75-39.7-175.5-61.80000112.1W72 L73 D74 H79 A80 M89 L93 F96 F203W72-T76 HydrophobicContact CH2-CG2 3.86Å; W72-T76 HydrophobicContact CZ2-CG2 4.02Å; W72-T76 HydrophobicContact CZ3-CG2 4.23Å; W72-T76 WeakPolarHBondContact O-CB 3.44Å; W72-T76 PolarHBondContact O-N 2.76Å; W72-T76 PolarHBondContact O-OG1 3.23Å; L73-T76 PolarHBondContact O-N 3.25Å; D74-T76 VanDerWaalsContact C-N 3.3Å; D74-T76 PolarHBondContact O-N 2.96Å; T76-H79 PolarHBondContact O-N 3.14Å; T76-A80 WeakPolarHBondContact O-CB 3.35Å; T76-A80 PolarHBondContact O-N 2.7Å; T76-M89 HydrophobicContact CG2-CE 3.27Å; T76-M89 WeakPolarHBondContact O-CE 3.42Å; T76-L93 HydrophobicContact CG2-CD1 4.38Å; T76-F96 HydrophobicContact CG2-CE2 3.68Å; T76-F96 HydrophobicContact CG2-CZ 4.44Å; T76-F203 HydrophobicContact CG2-CE1 3.99Å; T76-F203 HydrophobicContact CG2-CE2 4.14Å; T76-F203 HydrophobicContact CG2-CZ 3.41Å; T76-F203 VanDerWaalsContact CG2-CZ 3.41Å
77E83.7Confident80.4Confident52 Ų5257 Ų5724%0.24329%0.29CS..Hα-helixtrans-63.1-42.9172.5-81.7-179-173.500111.2L73 H79 A80 S81 R199 F203L73-E77 HydrophobicContact CD1-CG 4.16Å; L73-E77 HydrophobicContact CG-CG 4.36Å; L73-E77 VanDerWaalsContact O-CB 3.27Å; L73-E77 WeakPolarHBondContact O-CB 3.05Å; L73-E77 WeakPolarHBondContact O-CG 3.49Å; L73-E77 PolarHBondContact O-N 3.5Å; E77-H79 VanDerWaalsContact C-N 3.31Å; E77-H79 PolarHBondContact O-N 3.33Å; E77-A80 PolarHBondContact O-N 3.45Å; E77-S81 PolarHBondContact O-N 3.19Å; E77-R199 IonicContact OE1-CZ 2.7Å; E77-R199 IonicContact OE1-NE 3.35Å; E77-R199 PolarHBondContact OE1-NE 3.44Å; E77-R199 IonicContact OE1-NH2 3.97Å; E77-R199 IonicContact OE2-CZ 3.46Å; E77-R199 IonicContact OE2-NE 3.88Å; E77-R199 PolarHBondContact OE2-NE 3.06Å; E77-R199 IonicContact OE2-NH2 3.24Å; E77-R199 PolarHBondContact OE2-NH2 2.99Å; E77-F203 HydrophobicContact CG-CD2 3.47Å; E77-F203 VanDerWaalsContact CG-CD2 3.47Å; E77-F203 HydrophobicContact CG-CE2 3.85Å; E77-F203 HydrophobicContact CG-CG 4.4Å
78N81.8Confident79.5Confident97 Ų9758.1 Ų58.152%0.51930%0.298SS..Hα-helixtrans-60.8-41.8173.8-75-35.6000111.2D74 S81 R82D74-N78 WeakPolarHBondContact O-CB 3.34Å; D74-N78 PolarHBondContact O-N 3.03Å; D74-N78 VanDerWaalsContact O-N 3.08Å; D74-N78 PolarHBondContact O-ND2 3.46Å; N78-S81 PolarHBondContact O-N 3.24Å; N78-S81 PolarHBondContact O-OG 3.17Å; N78-R82 PolarHBondContact O-N 3.4Å
79H78.7Confident78.5Confident47 Ų4755.2 Ų55.222%0.21828%0.28CS..Hα-helixtrans-65.8-44.4175.1-163.157.9000112.5A75 T76 E77 S81 R82 I83 M89 Q92A75-H79 WeakPolarHBondContact O-CB 3.44Å; A75-H79 PolarHBondContact O-N 2.96Å; T76-H79 PolarHBondContact O-N 3.14Å; E77-H79 VanDerWaalsContact C-N 3.31Å; E77-H79 PolarHBondContact O-N 3.33Å; H79-S81 PolarHBondContact O-N 3.39Å; H79-R82 PolarHBondContact O-N 3.49Å; H79-I83 WeakPolarHBondContact CE1-CD1 3.23Å; H79-I83 WeakPolarHBondContact NE2-CD1 3.49Å; H79-I83 PolarHBondContact O-N 2.96Å; H79-M89 HydrophobicContact CB-CE 4.37Å; H79-Q92 PolarHBondContact CE1-OE1 3.28Å; H79-Q92 PolarHBondContact NE2-OE1 3.09Å
80A77Confident77.6Confident3 Ų357.4 Ų57.43%0.02529%0.292CS..Hα-helixtrans-62.3-28.1175.200000112.5T76 E77 R82 M89 F203 M206 R210T76-A80 WeakPolarHBondContact O-CB 3.35Å; T76-A80 PolarHBondContact O-N 2.7Å; E77-A80 PolarHBondContact O-N 3.45Å; A80-R82 VanDerWaalsContact C-N 3.32Å; A80-M89 HydrophobicContact CB-CE 3.74Å; A80-M89 HydrophobicContact CB-SD 3.83Å; A80-F203 HydrophobicContact CB-CE2 4.23Å; A80-M206 HydrophobicContact CB-CE 3.99Å; A80-R210 PolarHBondContact O-NH1 3.4Å
81S72.4Confident76.6Confident85 Ų8557.6 Ų57.659%0.59430%0.299SS*.Hα-helixtrans-69.8-32.4174.880.40000112.3E77 N78 H79E77-S81 PolarHBondContact O-N 3.19Å; N78-S81 PolarHBondContact O-N 3.24Å; N78-S81 PolarHBondContact O-OG 3.17Å; H79-S81 PolarHBondContact O-N 3.39Å
82R75.1Confident75.8Confident205 Ų20558 Ų5877%0.77430%0.298SS*.Hα-helixtrans-82-38.3179.5-65.2174.7-176.8176.80.4112.2N78 H79 A80N78-R82 PolarHBondContact O-N 3.4Å; H79-R82 PolarHBondContact O-N 3.49Å; A80-R82 VanDerWaalsContact C-N 3.32Å
83I70.5Confident74.8Confident22 Ų2258 Ų5811%0.11330%0.301CS..  trans-93.6123.4-176.1-59-173.8000110.8H79 S85 E88 R210H79-I83 WeakPolarHBondContact CE1-CD1 3.23Å; H79-I83 WeakPolarHBondContact NE2-CD1 3.49Å; H79-I83 PolarHBondContact O-N 2.96Å; I83-S85 WeakPolarHBondContact CG2-O 3.27Å; I83-E88 HydrophobicContact CG2-CB 3.63Å; I83-R210 PolarHBondContact O-NH1 2.82Å
84L62.5Low73.8Confident148 Ų14864.4 Ų64.478%0.77534%0.336SS*.SBendtrans-70.2-36.1178.6-74.2161000111.6Q214L84-Q214 PolarHBondContact O-NE2 3.21Å
85S68.6Low73.2Confident9 Ų967.7 Ų67.76%0.06335%0.349CS..  trans-107.3133.7-177.4890000116.8I83 Y87 E88 M89I83-S85 WeakPolarHBondContact CG2-O 3.27Å; S85-Y87 PolarHBondContact O-N 2.81Å; S85-E88 WeakPolarHBondContact CB-OE2 3.44Å; S85-E88 PolarHBondContact O-N 2.8Å; S85-E88 VanDerWaalsContact OG-CB 3.22Å; S85-E88 WeakPolarHBondContact OG-CB 3.11Å; S85-E88 WeakPolarHBondContact OG-CG 3.09Å; S85-E88 PolarHBondContact OG-N 3.46Å; S85-E88 VanDerWaalsContact OG-N 3.1Å; S85-E88 PolarHBondContact OG-OE2 3.4Å; S85-M89 PolarHBondContact O-N 2.99Å
86I68.9Low73.1Confident4 Ų464.9 Ų64.92%0.02133%0.326CS..Hα-helixtrans-73.2-26.2177.6-68179.1000110.8M89 N90 C207 R210 A211 Q214 F370I86-M89 WeakPolarHBondContact O-CB 3.25Å; I86-M89 PolarHBondContact O-N 3.49Å; I86-N90 VanDerWaalsContact O-CB 3.25Å; I86-N90 WeakPolarHBondContact O-CB 3.28Å; I86-N90 PolarHBondContact O-N 3.19Å; I86-C207 HydrophobicContact CD1-CB 4.06Å; I86-C207 WeakPolarHBondContact CD1-O 3.46Å; I86-R210 HydrophobicContact CD1-CB 3.29Å; I86-R210 HydrophobicContact CD1-CG 4.3Å; I86-R210 HydrophobicContact CG1-CB 4.03Å; I86-A211 HydrophobicContact CD1-CB 4.39Å; I86-Q214 VanDerWaalsContact N-OE1 3.1Å; I86-F370 HydrophobicContact CB-CE1 4.47Å; I86-F370 HydrophobicContact CG2-CD1 4.07Å; I86-F370 HydrophobicContact CG2-CE1 3.26Å; I86-F370 HydrophobicContact CG2-CE2 4.09Å; I86-F370 HydrophobicContact CG2-CZ 3.3Å
87Y65.1Low72.8Confident63 Ų6365.9 Ų65.925%0.24733%0.33CS..Hα-helixtrans-56.9-50.5167.1179.2-96.1000111.6S85 M89 N90 S91 K363 A366 D367S85-Y87 PolarHBondContact O-N 2.81Å; Y87-M89 VanDerWaalsContact C-N 3.3Å; Y87-M89 PolarHBondContact O-N 3.33Å; Y87-N90 PolarHBondContact O-N 3.2Å; Y87-S91 WeakPolarHBondContact O-CB 3.38Å; Y87-S91 PolarHBondContact O-N 3.43Å; Y87-S91 PolarHBondContact O-OG 3.38Å; Y87-K363 HydrophobicContact CE1-CG 4.24Å; Y87-A366 HydrophobicContact CD2-CB 3.87Å; Y87-A366 HydrophobicContact CE2-CB 3.48Å; Y87-A366 VanDerWaalsContact CE2-CB 3.48Å; Y87-D367 WeakPolarHBondContact CB-OD1 2.89Å
88E68.9Low72.8Confident87 Ų8769 Ų6941%0.40734%0.344SS..Hα-helixtrans-62.5-41.7177.2-75.8154.1179.300110.6I83 S85 N90 S91 Q92I83-E88 HydrophobicContact CG2-CB 3.63Å; S85-E88 WeakPolarHBondContact CB-OE2 3.44Å; S85-E88 PolarHBondContact O-N 2.8Å; S85-E88 VanDerWaalsContact OG-CB 3.22Å; S85-E88 WeakPolarHBondContact OG-CB 3.11Å; S85-E88 WeakPolarHBondContact OG-CG 3.09Å; S85-E88 PolarHBondContact OG-N 3.46Å; S85-E88 VanDerWaalsContact OG-N 3.1Å; S85-E88 PolarHBondContact OG-OE2 3.4Å; E88-N90 PolarHBondContact O-N 3.26Å; E88-S91 VanDerWaalsContact CA-OG 3.28Å; E88-S91 WeakPolarHBondContact CA-OG 3.5Å; E88-S91 PolarHBondContact O-N 3.1Å; E88-S91 PolarHBondContact O-OG 3.42Å; E88-Q92 VanDerWaalsContact O-CB 3.31Å; E88-Q92 WeakPolarHBondContact O-CB 3.4Å; E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 3.46Å
89M69.3Low73Confident2 Ų266.2 Ų66.21%0.0133%0.331CS..Hα-helixtrans-58.6-47.7175.4-167.6176.9-168.600112.2T76 H79 A80 S85 I86 Y87 S91 Q92 L93 F96 F203T76-M89 HydrophobicContact CG2-CE 3.27Å; T76-M89 WeakPolarHBondContact O-CE 3.42Å; H79-M89 HydrophobicContact CB-CE 4.37Å; A80-M89 HydrophobicContact CB-CE 3.74Å; A80-M89 HydrophobicContact CB-SD 3.83Å; S85-M89 PolarHBondContact O-N 2.99Å; I86-M89 WeakPolarHBondContact O-CB 3.25Å; I86-M89 PolarHBondContact O-N 3.49Å; Y87-M89 VanDerWaalsContact C-N 3.3Å; Y87-M89 PolarHBondContact O-N 3.33Å; M89-S91 VanDerWaalsContact C-N 3.32Å; M89-S91 PolarHBondContact O-N 3.28Å; M89-Q92 PolarHBondContact O-N 3.41Å; M89-L93 HydrophobicContact CE-CD1 3.76Å; M89-L93 HydrophobicContact CG-CD1 3.84Å; M89-L93 HydrophobicContact CG-CG 4.48Å; M89-L93 VanDerWaalsContact O-CB 3.29Å; M89-L93 WeakPolarHBondContact O-CB 3.22Å; M89-L93 WeakPolarHBondContact O-CG 3.45Å; M89-L93 PolarHBondContact O-N 3.49Å; M89-F96 HydrophobicContact CE-CE2 4.08Å; M89-F96 HydrophobicContact CE-CZ 4.26Å; M89-F96 HydrophobicContact SD-CZ 4.22Å; M89-F203 HydrophobicContact CE-CZ 4.25Å
90N70.5Confident73.3Confident47 Ų4764 Ų6425%0.25132%0.321SS..Hα-helixtrans-68.8-29.6178.4-171.162.9000112.6I86 Y87 E88 F96 F370I86-N90 VanDerWaalsContact O-CB 3.25Å; I86-N90 WeakPolarHBondContact O-CB 3.28Å; I86-N90 PolarHBondContact O-N 3.19Å; Y87-N90 PolarHBondContact O-N 3.2Å; E88-N90 PolarHBondContact O-N 3.26Å; N90-F96 HydrophobicContact CB-CD1 4.42Å; N90-F370 HydrophobicContact CB-CD2 4.32Å; N90-F370 HydrophobicContact CB-CE2 4.3Å
91S69.6Low73.7Confident70 Ų7064.7 Ų64.749%0.4933%0.326SS..Hα-helixtrans-77.4-28.6174.967.10000113.3Y87 E88 M89Y87-S91 WeakPolarHBondContact O-CB 3.38Å; Y87-S91 PolarHBondContact O-N 3.43Å; Y87-S91 PolarHBondContact O-OG 3.38Å; E88-S91 VanDerWaalsContact CA-OG 3.28Å; E88-S91 WeakPolarHBondContact CA-OG 3.5Å; E88-S91 PolarHBondContact O-N 3.1Å; E88-S91 PolarHBondContact O-OG 3.42Å; M89-S91 VanDerWaalsContact C-N 3.32Å; M89-S91 PolarHBondContact O-N 3.28Å
92Q71.1Confident74.5Confident108 Ų10864.6 Ų64.651%0.50532%0.32SS..Hα-helixtrans-91.5-32-178-71.4178.113.300112.6H79 E88 M89 N94H79-Q92 PolarHBondContact CE1-OE1 3.28Å; H79-Q92 PolarHBondContact NE2-OE1 3.09Å; E88-Q92 VanDerWaalsContact O-CB 3.31Å; E88-Q92 WeakPolarHBondContact O-CB 3.4Å; E88-Q92 WeakPolarHBondContact O-CG 3.46Å; E88-Q92 PolarHBondContact O-N 3.46Å; M89-Q92 PolarHBondContact O-N 3.41Å; Q92-N94 PolarHBondContact O-N 3.31Å
93L70.4Confident75.2Confident48 Ų4856 Ų5625%0.25129%0.288SS..SBendtrans-92100.2174.8-64.3179.7000108.7T76 M89 H95 F96T76-L93 HydrophobicContact CG2-CD1 4.38Å; M89-L93 HydrophobicContact CE-CD1 3.76Å; M89-L93 HydrophobicContact CG-CD1 3.84Å; M89-L93 HydrophobicContact CG-CG 4.48Å; M89-L93 VanDerWaalsContact O-CB 3.29Å; M89-L93 WeakPolarHBondContact O-CB 3.22Å; M89-L93 WeakPolarHBondContact O-CG 3.45Å; M89-L93 PolarHBondContact O-N 3.49Å; L93-H95 PolarHBondContact O-N 3.49Å; L93-F96 HydrophobicContact CB-CB 3.9Å; L93-F96 HydrophobicContact CB-CD2 4.22Å; L93-F96 HydrophobicContact CB-CG 4.37Å; L93-F96 HydrophobicContact CD1-CD2 3.62Å; L93-F96 HydrophobicContact CD1-CE2 4.01Å; L93-F96 HydrophobicContact CD1-CG 4.4Å; L93-F96 WeakPolarHBondContact O-CB 3.16Å; L93-F96 PolarHBondContact O-N 3.4Å
94N68Low76Confident135 Ų13556 Ų5672%0.72229%0.288SS*.THydrogen-bonded Turntrans-51.3131.3172.6-67.9-19.7000109.5Q92 F96Q92-N94 PolarHBondContact O-N 3.31Å; N94-F96 PolarHBondContact O-N 2.98Å
95H75.1Confident77.2Confident123 Ų12353.2 Ų53.257%0.56927%0.27SS*.THydrogen-bonded Turntrans6122.4176.1-53.5-77.9000115.5L93 E97 E98 T99L93-H95 PolarHBondContact O-N 3.49Å; H95-E97 VanDerWaalsContact C-N 3.3Å; H95-E97 PolarHBondContact O-N 3.01Å; H95-E97 VanDerWaalsContact O-N 3.15Å; H95-E98 HydrophobicContact CB-CB 4.25Å; H95-E98 IonicContact CE1-OE2 2.81Å; H95-E98 IonicContact CG-OE2 3.76Å; H95-E98 IonicContact ND1-OE1 2.92Å; H95-E98 IonicContact ND1-OE2 2.76Å; H95-E98 PolarHBondContact ND1-OE2 3.33Å; H95-E98 WeakPolarHBondContact O-CB 3.48Å; H95-E98 PolarHBondContact O-N 3.21Å; H95-T99 PolarHBondContact O-N 3.06Å; H95-T99 PolarHBondContact O-OG1 3.07Å; H95-T99 VanDerWaalsContact O-OG1 3.08Å
96F82.1Confident78.2Confident3 Ų354 Ų541%0.01328%0.277CS..Hα-helixtrans-48.5-46.9-177.4179.8-115000114.3W72 T76 M89 N90 L93 N94 L100 F203 F370W72-F96 HydrophobicContact CH2-CD2 4.34Å; W72-F96 AromaticContact CH2-CE2 3.81Å; W72-F96 HydrophobicContact CH2-CE2 3.81Å; W72-F96 AromaticContact CZ2-CD2 3.92Å; W72-F96 HydrophobicContact CZ2-CD2 3.92Å; W72-F96 AromaticContact CZ2-CE2 3.81Å; W72-F96 HydrophobicContact CZ2-CE2 3.81Å; T76-F96 HydrophobicContact CG2-CE2 3.68Å; T76-F96 HydrophobicContact CG2-CZ 4.44Å; M89-F96 HydrophobicContact CE-CE2 4.08Å; M89-F96 HydrophobicContact CE-CZ 4.26Å; M89-F96 HydrophobicContact SD-CZ 4.22Å; N90-F96 HydrophobicContact CB-CD1 4.42Å; L93-F96 HydrophobicContact CB-CB 3.9Å; L93-F96 HydrophobicContact CB-CD2 4.22Å; L93-F96 HydrophobicContact CB-CG 4.37Å; L93-F96 HydrophobicContact CD1-CD2 3.62Å; L93-F96 HydrophobicContact CD1-CE2 4.01Å; L93-F96 HydrophobicContact CD1-CG 4.4Å; L93-F96 WeakPolarHBondContact O-CB 3.16Å; L93-F96 PolarHBondContact O-N 3.4Å; N94-F96 PolarHBondContact O-N 2.98Å; F96-L100 HydrophobicContact CD1-CD1 3.94Å; F96-L100 HydrophobicContact CE1-CD1 3.47Å; F96-L100 VanDerWaalsContact CE1-CD1 3.47Å; F96-L100 HydrophobicContact CE1-CG 4.37Å; F96-L100 HydrophobicContact CE2-CD1 4.19Å; F96-L100 HydrophobicContact CE2-CG 4.23Å; F96-L100 HydrophobicContact CG-CD1 4.48Å; F96-L100 HydrophobicContact CZ-CD1 3.62Å; F96-L100 HydrophobicContact CZ-CG 4.13Å; F96-L100 WeakPolarHBondContact O-CB 3.46Å; F96-L100 WeakPolarHBondContact O-CG 3.35Å; F96-L100 PolarHBondContact O-N 3.05Å; F96-F203 HydrophobicContact CE2-CE1 4.47Å; F96-F203 HydrophobicContact CZ-CE1 4.13Å; F96-F203 HydrophobicContact CZ-CZ 4.2Å; F96-F370 HydrophobicContact CD1-CE2 4.02Å; F96-F370 HydrophobicContact CD1-CZ 4.44Å; F96-F370 HydrophobicContact CE1-CE2 4.09Å; F96-F370 HydrophobicContact CE1-CZ 4.05Å
97E79.8Confident79.2Confident26 Ų2654 Ų5412%0.12128%0.277CS..Hα-helixtrans-64.1-39177.9-66.3171.6156.500112.9H95 A101 F370 K373 I377H95-E97 VanDerWaalsContact C-N 3.3Å; H95-E97 PolarHBondContact O-N 3.01Å; H95-E97 VanDerWaalsContact O-N 3.15Å; E97-A101 PolarHBondContact O-N 2.87Å; E97-A101 VanDerWaalsContact O-N 3.1Å; E97-F370 HydrophobicContact CG-CD2 3.9Å; E97-F370 HydrophobicContact CG-CE2 3.89Å; E97-F370 WeakPolarHBondContact OE1-CD2 3.28Å; E97-K373 VanDerWaalsContact OE1-CD 3.26Å; E97-K373 WeakPolarHBondContact OE1-CD 3.34Å; E97-K373 IonicContact OE1-NZ 3.81Å; E97-K373 WeakPolarHBondContact OE2-CD 3.47Å; E97-K373 WeakPolarHBondContact OE2-CE 3.35Å; E97-K373 IonicContact OE2-NZ 3.44Å; E97-K373 PolarHBondContact OE2-NZ 3.23Å; E97-I377 WeakPolarHBondContact O-CD1 3.26Å
98E82.8Confident80.2Confident116 Ų11653.6 Ų53.654%0.54228%0.277SS..Hα-helixtrans-70.4-45179.6-65.7169.9-176.200110H95 L100 A101 D102H95-E98 HydrophobicContact CB-CB 4.25Å; H95-E98 IonicContact CE1-OE2 2.81Å; H95-E98 IonicContact CG-OE2 3.76Å; H95-E98 IonicContact ND1-OE1 2.92Å; H95-E98 IonicContact ND1-OE2 2.76Å; H95-E98 PolarHBondContact ND1-OE2 3.33Å; H95-E98 WeakPolarHBondContact O-CB 3.48Å; H95-E98 PolarHBondContact O-N 3.21Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 3.45Å; E98-A101 WeakPolarHBondContact O-CB 3.41Å; E98-A101 PolarHBondContact O-N 3.3Å; E98-A101 VanDerWaalsContact O-N 3.14Å; E98-D102 PolarHBondContact O-N 3.09Å
99T86.6Confident81.1Confident39 Ų3952 Ų5224%0.23927%0.271CS..Hα-helixtrans-60.8-40.6174.9-510000111.9W72 H95 A101 D102 H103W72-T99 HydrophobicContact CD2-CG2 4.37Å; W72-T99 HydrophobicContact CZ2-CG2 3.94Å; H95-T99 PolarHBondContact O-N 3.06Å; H95-T99 PolarHBondContact O-OG1 3.07Å; H95-T99 VanDerWaalsContact O-OG1 3.08Å; T99-A101 PolarHBondContact O-N 2.8Å; T99-D102 PolarHBondContact O-N 3.48Å; T99-H103 VanDerWaalsContact CG2-NE2 3.34Å; T99-H103 WeakPolarHBondContact CG2-NE2 3.18Å; T99-H103 WeakPolarHBondContact O-CB 3.49Å; T99-H103 PolarHBondContact O-CD2 3.39Å; T99-H103 PolarHBondContact O-N 2.64Å
100L85.9Confident82.1Confident0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-58.4-46.9172.7-85.9174000112.2W72 F96 E98 D102 L104 F200 F203 L204 L374 I377W72-L100 HydrophobicContact CH2-CD2 3.52Å; W72-L100 HydrophobicContact CH2-CG 3.89Å; W72-L100 HydrophobicContact CZ3-CD2 4.02Å; F96-L100 HydrophobicContact CD1-CD1 3.94Å; F96-L100 HydrophobicContact CE1-CD1 3.47Å; F96-L100 VanDerWaalsContact CE1-CD1 3.47Å; F96-L100 HydrophobicContact CE1-CG 4.37Å; F96-L100 HydrophobicContact CE2-CD1 4.19Å; F96-L100 HydrophobicContact CE2-CG 4.23Å; F96-L100 HydrophobicContact CG-CD1 4.48Å; F96-L100 HydrophobicContact CZ-CD1 3.62Å; F96-L100 HydrophobicContact CZ-CG 4.13Å; F96-L100 WeakPolarHBondContact O-CB 3.46Å; F96-L100 WeakPolarHBondContact O-CG 3.35Å; F96-L100 PolarHBondContact O-N 3.05Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 3.45Å; L100-D102 VanDerWaalsContact C-N 3.35Å; L100-L104 WeakPolarHBondContact O-CB 3.42Å; L100-L104 PolarHBondContact O-N 3.46Å; L100-F200 HydrophobicContact CD2-CE1 4.5Å; L100-F200 HydrophobicContact CD2-CE2 4.45Å; L100-F200 HydrophobicContact CD2-CZ 3.85Å; L100-F203 HydrophobicContact CD2-CD1 4.38Å; L100-F203 HydrophobicContact CD2-CE1 4.11Å; L100-L204 HydrophobicContact CD2-CD2 3.9Å; L100-L374 HydrophobicContact CD1-CD2 3.89Å; L100-I377 HydrophobicContact CB-CD1 4.43Å
101A85.2Confident82.9Confident18 Ų1852.3 Ų52.315%0.14927%0.273CS..Hα-helixtrans-63.6-42.117900000111.4E97 E98 T99 L104 K105 I377E97-A101 PolarHBondContact O-N 2.87Å; E97-A101 VanDerWaalsContact O-N 3.1Å; E98-A101 WeakPolarHBondContact O-CB 3.41Å; E98-A101 PolarHBondContact O-N 3.3Å; E98-A101 VanDerWaalsContact O-N 3.14Å; T99-A101 PolarHBondContact O-N 2.8Å; A101-L104 PolarHBondContact O-N 2.99Å; A101-K105 VanDerWaalsContact O-CG 3.28Å; A101-K105 WeakPolarHBondContact O-CG 3.43Å; A101-K105 PolarHBondContact O-N 2.96Å; A101-I377 HydrophobicContact CB-CD1 4.26Å; A101-I377 HydrophobicContact CB-CG1 4.07Å
102D88.3Confident83.7Confident84 Ų8453.1 Ų53.145%0.44927%0.265SS..Hα-helixtrans-72.9-37.1-177.7-69.9-18.7000112.6E98 T99 L100 K105 A106E98-D102 PolarHBondContact O-N 3.09Å; T99-D102 PolarHBondContact O-N 3.48Å; L100-D102 VanDerWaalsContact C-N 3.35Å; D102-K105 WeakPolarHBondContact O-CB 3.22Å; D102-K105 PolarHBondContact O-N 2.76Å; D102-K105 IonicContact OD1-NZ 3.88Å; D102-K105 PolarHBondContact OD1-NZ 3.27Å; D102-A106 WeakPolarHBondContact O-CB 3.29Å; D102-A106 PolarHBondContact O-N 3.25Å
103H90.6Very high84.6Confident23 Ų2351.6 Ų51.611%0.10626%0.26CS..Hα-helixtrans-65.4-40.9171.4-72.8-31.3000112.4V69 W72 T99 K105 A106 L107 F200V69-H103 HydrophobicContact CG1-CB 4.19Å; V69-H103 HydrophobicContact CG2-CB 4.09Å; V69-H103 WeakPolarHBondContact CG2-ND1 3.37Å; W72-H103 AromaticContact CD1-NE2 3.61Å; W72-H103 AromaticContact CD2-CD2 3.39Å; W72-H103 AromaticContact CD2-NE2 3.42Å; W72-H103 AromaticContact CE2-CD2 3.87Å; W72-H103 AromaticContact CE2-NE2 3.92Å; W72-H103 AromaticContact CE3-CD2 3.46Å; W72-H103 VanDerWaalsContact CE3-CD2 3.46Å; W72-H103 AromaticContact CE3-NE2 3.95Å; W72-H103 AromaticContact CG-CD2 3.75Å; W72-H103 AromaticContact CG-NE2 3.23Å; W72-H103 AromaticContact NE1-NE2 4Å; T99-H103 VanDerWaalsContact CG2-NE2 3.34Å; T99-H103 WeakPolarHBondContact CG2-NE2 3.18Å; T99-H103 WeakPolarHBondContact O-CB 3.49Å; T99-H103 PolarHBondContact O-CD2 3.39Å; T99-H103 PolarHBondContact O-N 2.64Å; H103-K105 VanDerWaalsContact C-N 3.28Å; H103-K105 PolarHBondContact O-N 3.31Å; H103-A106 PolarHBondContact O-N 2.79Å; H103-L107 WeakPolarHBondContact O-CG 3.35Å; H103-L107 PolarHBondContact O-N 2.78Å; H103-F200 HydrophobicContact CB-CE2 3.85Å; H103-F200 HydrophobicContact CB-CZ 3.85Å
104L86.8Confident85.5Confident23 Ų2349.3 Ų49.312%0.1225%0.248CC..Hα-helixtrans-61.9-39.2174.1-17562.7000111.5L100 A101 K108 F200 I377L100-L104 WeakPolarHBondContact O-CB 3.42Å; L100-L104 PolarHBondContact O-N 3.46Å; A101-L104 PolarHBondContact O-N 2.99Å; L104-K108 WeakPolarHBondContact O-CG 3.44Å; L104-K108 PolarHBondContact O-N 3.21Å; L104-F200 HydrophobicContact CB-CE1 4.04Å; L104-F200 HydrophobicContact CD1-CD1 4.31Å; L104-F200 HydrophobicContact CD1-CE1 4.22Å; L104-I377 HydrophobicContact CD2-CG2 3.87Å; L104-I377 VanDerWaalsContact CD2-O 3.26Å; L104-I377 WeakPolarHBondContact CD2-O 3.16Å
105K87.7Confident86.3Confident89 Ų8947.4 Ų47.439%0.38724%0.237SC..Hα-helixtrans-63.6-48.4173.4-70.4169.5-160.7156.80111.8A101 D102 H103 L107 K108 L109 I382A101-K105 VanDerWaalsContact O-CG 3.28Å; A101-K105 WeakPolarHBondContact O-CG 3.43Å; A101-K105 PolarHBondContact O-N 2.96Å; D102-K105 WeakPolarHBondContact O-CB 3.22Å; D102-K105 PolarHBondContact O-N 2.76Å; D102-K105 IonicContact OD1-NZ 3.88Å; D102-K105 PolarHBondContact OD1-NZ 3.27Å; H103-K105 VanDerWaalsContact C-N 3.28Å; H103-K105 PolarHBondContact O-N 3.31Å; K105-L107 VanDerWaalsContact C-N 3.34Å; K105-L107 PolarHBondContact O-N 2.92Å; K105-K108 PolarHBondContact O-N 3.47Å; K105-L109 WeakPolarHBondContact O-CG 3.4Å; K105-L109 PolarHBondContact O-N 2.93Å; K105-I382 HydrophobicContact CB-CD1 4.11Å; K105-I382 HydrophobicContact CG-CD1 4.11Å
106A89.3Confident86.8Confident27 Ų2747.8 Ų47.822%0.22324%0.244CC..Hα-helixtrans-58.1-44.6179.500000111.8V69 D102 H103 K108 L109 C110V69-A106 HydrophobicContact CG2-CB 4.47Å; D102-A106 WeakPolarHBondContact O-CB 3.29Å; D102-A106 PolarHBondContact O-N 3.25Å; H103-A106 PolarHBondContact O-N 2.79Å; A106-K108 PolarHBondContact O-N 3.44Å; A106-L109 PolarHBondContact O-N 3.32Å; A106-C110 WeakPolarHBondContact O-CB 3.39Å; A106-C110 PolarHBondContact O-N 2.85Å; A106-C110 PolarHBondContact O-SG 3.28Å
107L89Confident87.1Confident3 Ų348.9 Ų48.92%0.01625%0.25CC..Hα-helixtrans-62.5-40.4177.8-71.4177.1000112.9V69 H103 K105 D111 L193 L196 Q197 F200V69-L107 HydrophobicContact CB-CD2 4.3Å; V69-L107 HydrophobicContact CG1-CD1 4Å; V69-L107 HydrophobicContact CG1-CD2 3.95Å; V69-L107 HydrophobicContact CG1-CG 4.02Å; V69-L107 HydrophobicContact CG2-CD2 4.32Å; V69-L107 HydrophobicContact CG2-CG 4.4Å; H103-L107 WeakPolarHBondContact O-CG 3.35Å; H103-L107 PolarHBondContact O-N 2.78Å; K105-L107 VanDerWaalsContact C-N 3.34Å; K105-L107 PolarHBondContact O-N 2.92Å; L107-D111 PolarHBondContact O-N 3.3Å; L107-L193 HydrophobicContact CD2-CD1 3.74Å; L107-L196 HydrophobicContact CD2-CD2 3.6Å; L107-L196 HydrophobicContact CD2-CG 3.96Å; L107-Q197 HydrophobicContact CB-CG 4.25Å; L107-Q197 HydrophobicContact CD1-CG 4.39Å; L107-Q197 PolarHBondContact O-NE2 3.15Å; L107-F200 HydrophobicContact CD1-CB 3.98Å; L107-F200 HydrophobicContact CD1-CD1 4.21Å; L107-F200 HydrophobicContact CD1-CD2 4.15Å; L107-F200 HydrophobicContact CD1-CG 3.86Å
108K86.1Confident87.5Confident55 Ų5547.7 Ų47.724%0.23924%0.244CC..Hα-helixtrans-70.5-36176.6-74.8174.5176.7170.30112L104 K105 A106 R112 T380 I382L104-K108 WeakPolarHBondContact O-CG 3.44Å; L104-K108 PolarHBondContact O-N 3.21Å; K105-K108 PolarHBondContact O-N 3.47Å; A106-K108 PolarHBondContact O-N 3.44Å; K108-R112 PolarHBondContact O-N 3.49Å; K108-T380 PolarHBondContact NZ-O 3.23Å; K108-I382 HydrophobicContact CB-CD1 3.44Å; K108-I382 VanDerWaalsContact CB-CD1 3.44Å; K108-I382 HydrophobicContact CB-CG1 4.5Å; K108-I382 HydrophobicContact CD-CD1 3.54Å; K108-I382 HydrophobicContact CD-CG1 3.88Å; K108-I382 HydrophobicContact CG-CD1 4.1Å
109L88.3Confident87.9Confident54 Ų5442.2 Ų42.228%0.28322%0.219SC..Hα-helixtrans-66.3-43173.4-74.1172000111.6K105 A106 D111 R112 L113 E387K105-L109 WeakPolarHBondContact O-CG 3.4Å; K105-L109 PolarHBondContact O-N 2.93Å; A106-L109 PolarHBondContact O-N 3.32Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 3.3Å; L109-R112 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-CG 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.4Å; L109-E387 WeakPolarHBondContact CD2-OE2 3.48Å
110C90.4Very high88Confident4 Ų440.5 Ų40.53%0.02721%0.208CC..Hα-helixtrans-57.7-42.6176.1-70.40000111.7V62 I66 A106 R112 L113 L114 L193V62-C110 HydrophobicContact CG1-CB 4.09Å; I66-C110 HydrophobicContact CG1-CB 4.48Å; A106-C110 WeakPolarHBondContact O-CB 3.39Å; A106-C110 PolarHBondContact O-N 2.85Å; A106-C110 PolarHBondContact O-SG 3.28Å; C110-R112 PolarHBondContact O-N 2.84Å; C110-L113 PolarHBondContact O-N 2.85Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.43Å; C110-L114 PolarHBondContact O-N 2.93Å; C110-L193 HydrophobicContact CB-CD1 4.05Å; C110-L193 HydrophobicContact CB-CD2 4.04Å
111D88.4Confident88Confident51 Ų5143.1 Ų43.127%0.27322%0.218SC..Hα-helixtrans-58.6-48179.7-162.340.5000111.4L107 L109 L113 L114 D115 L193L107-D111 PolarHBondContact O-N 3.3Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 3.3Å; D111-L113 PolarHBondContact O-N 3.38Å; D111-L114 PolarHBondContact O-N 3.44Å; D111-D115 PolarHBondContact O-N 2.9Å; D111-L193 HydrophobicContact CB-CD2 3.62Å; D111-L193 VanDerWaalsContact N-CD2 3.3Å
112R85.7Confident88.1Confident87 Ų8742.6 Ų42.633%0.32821%0.213SC..Hα-helixtrans-68.4-33.3177.9-67.3179172.1157.9-7.2113.3K108 L109 C110 N116 I382 T384K108-R112 PolarHBondContact O-N 3.49Å; L109-R112 PolarHBondContact O-N 3.34Å; C110-R112 PolarHBondContact O-N 2.84Å; R112-N116 PolarHBondContact O-ND2 3.44Å; R112-I382 VanDerWaalsContact NH1-CG2 3.32Å; R112-I382 PolarHBondContact NH1-O 2.87Å; R112-I382 PolarHBondContact NH2-O 3.49Å; R112-T384 PolarHBondContact NH1-OG1 3.35Å; R112-T384 PolarHBondContact NH2-OG1 3.26Å
113L89.2Confident88Confident76 Ų7640 Ų4040%0.39820%0.197SC..Hα-helixtrans-68-43.4174.9-73.1172.5000110.4V62 L109 C110 D111 D115 N116 L117V62-L113 HydrophobicContact CG2-CB 3.92Å; V62-L113 HydrophobicContact CG2-CD1 3.94Å; L109-L113 VanDerWaalsContact O-CG 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.4Å; C110-L113 PolarHBondContact O-N 2.85Å; D111-L113 PolarHBondContact O-N 3.38Å; L113-D115 PolarHBondContact O-N 2.92Å; L113-N116 PolarHBondContact O-N 2.94Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.02Å
114L89.5Confident87.7Confident0 Ų039.3 Ų39.30%019%0.194CC..Hα-helixtrans-60.4-29.3178.2-72.8177.6000113.2M59 V62 C110 D111 N116 L117 T185 E189 K190 L193M59-L114 HydrophobicContact CE-CD2 3.84Å; M59-L114 HydrophobicContact SD-CD2 3.69Å; V62-L114 HydrophobicContact CG1-CD1 4.49Å; V62-L114 HydrophobicContact CG1-CD2 3.86Å; V62-L114 HydrophobicContact CG1-CG 4.02Å; C110-L114 VanDerWaalsContact O-CG 3.31Å; C110-L114 WeakPolarHBondContact O-CG 3.43Å; C110-L114 PolarHBondContact O-N 2.93Å; D111-L114 PolarHBondContact O-N 3.44Å; L114-N116 PolarHBondContact O-N 3.43Å; L114-L117 PolarHBondContact O-N 2.85Å; L114-T185 HydrophobicContact CD2-CG2 4.09Å; L114-T185 PolarHBondContact O-OG1 2.71Å; L114-E189 HydrophobicContact CD1-CB 4.06Å; L114-E189 HydrophobicContact CD2-CB 3.73Å; L114-E189 HydrophobicContact CD2-CG 4.29Å; L114-K190 HydrophobicContact CB-CG 4.08Å; L114-K190 HydrophobicContact CD1-CG 3.95Å; L114-L193 HydrophobicContact CD1-CB 4.22Å; L114-L193 HydrophobicContact CD1-CD2 3.77Å
115D85.5Confident87.7Confident94 Ų9443.5 Ų43.550%0.50321%0.208SC..THydrogen-bonded Turntrans-60-27.6173.5-70.8-32000113.5D111 L113 K190D111-D115 PolarHBondContact O-N 2.9Å; L113-D115 PolarHBondContact O-N 2.92Å; D115-K190 WeakPolarHBondContact OD1-CE 3.12Å; D115-K190 IonicContact OD1-NZ 3.98Å; D115-K190 PolarHBondContact OD1-NZ 2.9Å
116N85.3Confident87.6Confident131 Ų13142.9 Ų42.970%0.70121%0.214SC*.THydrogen-bonded Turntrans-105.4-3.7-175.5-60.3-68.6000113.4R112 L113 L114R112-N116 PolarHBondContact O-ND2 3.44Å; L113-N116 PolarHBondContact O-N 2.94Å; L114-N116 PolarHBondContact O-N 3.43Å
117L88.9Confident87.4Confident27 Ų2742.4 Ų42.414%0.14121%0.207CC..SBendtrans-103.8153.3-177-65.9176.3000111.5N55 A58 M59 V62 L113 L114 T185N55-L117 WeakPolarHBondContact OD1-CD2 3.34Å; A58-L117 HydrophobicContact CB-CD1 4.12Å; A58-L117 HydrophobicContact CB-CD2 3.46Å; A58-L117 VanDerWaalsContact CB-CD2 3.46Å; A58-L117 HydrophobicContact CB-CG 4.44Å; M59-L117 HydrophobicContact CE-CB 3.8Å; M59-L117 HydrophobicContact CE-CD1 4.13Å; M59-L117 HydrophobicContact SD-CD1 4.45Å; V62-L117 HydrophobicContact CG2-CD1 3.96Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.02Å; L114-L117 PolarHBondContact O-N 2.85Å; L117-T185 VanDerWaalsContact O-CG2 3.24Å; L117-T185 WeakPolarHBondContact O-CG2 3.41Å
118G87.9Confident87.1Confident0 Ų049.7 Ų49.70%024%0.239CC..BIsolated β-bridgetrans-80.9141.8170.600000112.5N55 M59 D182 V183N55-G118 WeakPolarHBondContact ND2-CA 3.46Å; N55-G118 PolarHBondContact ND2-O 3.26Å; N55-G118 PolarHBondContact OD1-N 3.29Å; M59-G118 WeakPolarHBondContact CE-O 3.31Å; G118-D182 WeakPolarHBondContact CA-OD1 3.2Å; G118-V183 CarbonylContact C-O 3.51Å
119S90.4Very high86.6Confident2 Ų257 Ų571%0.01427%0.27CS..PPolyproline II helixtrans-69131.2178.3-177.30000112Y121 V183 S184 E189S119-Y121 WeakPolarHBondContact OG-CB 3.31Å; S119-Y121 PolarHBondContact OG-N 2.94Å; S119-V183 WeakPolarHBondContact CB-O 3.35Å; S119-V183 PolarHBondContact N-O 3.17Å; S119-S184 WeakPolarHBondContact CB-O 3.46Å; S119-E189 WeakPolarHBondContact CA-OE1 3.34Å; S119-E189 PolarHBondContact OG-OE1 2.88Å; S119-E189 PolarHBondContact OG-OE2 2.85Å
120I89.5Confident86.1Confident2 Ų258.5 Ų58.51%0.0130%0.299CS..SBendtrans-92.1-22.816766167.1000111.1C10 L13 W14 L56 M59 I63 H122 R123 V124 E189C10-I120 HydrophobicContact CB-CB 4.44Å; L13-I120 HydrophobicContact CB-CD1 4.45Å; L13-I120 HydrophobicContact CD2-CD1 3.75Å; L13-I120 HydrophobicContact CG-CD1 4.08Å; W14-I120 HydrophobicContact CE3-CD1 3.98Å; W14-I120 HydrophobicContact CE3-CG1 3.93Å; W14-I120 HydrophobicContact CZ3-CG1 4.33Å; L56-I120 HydrophobicContact CD1-CG2 4.23Å; M59-I120 HydrophobicContact CB-CG2 4.36Å; M59-I120 HydrophobicContact CG-CD1 3.81Å; M59-I120 HydrophobicContact CG-CG1 4.02Å; M59-I120 HydrophobicContact CG-CG2 4Å; I63-I120 HydrophobicContact CD1-CD1 3.4Å; I63-I120 HydrophobicContact CD1-CG1 4.35Å; I120-H122 VanDerWaalsContact C-N 3.33Å; I120-H122 PolarHBondContact O-N 3.39Å; I120-R123 WeakPolarHBondContact O-CB 3.27Å; I120-R123 PolarHBondContact O-N 3.23Å; I120-V124 PolarHBondContact O-N 3.41Å; I120-E189 WeakPolarHBondContact CG1-OE1 3.21Å; I120-E189 PolarHBondContact N-OE1 3.37Å
121Y87Confident85.8Confident56 Ų5662.6 Ų62.622%0.2232%0.317CS..Hα-helixtrans-54.7-47.4-178.4176.4-106.4000112.1W14 S119 R123 V124 R125 F187 E189W14-Y121 HydrophobicContact CD2-CD2 4.47Å; W14-Y121 AromaticContact CE2-CD2 3.85Å; W14-Y121 AromaticContact CH2-CD2 3.38Å; W14-Y121 HydrophobicContact CH2-CD2 3.38Å; W14-Y121 HydrophobicContact CH2-CE2 4.2Å; W14-Y121 HydrophobicContact CH2-CG 4.11Å; W14-Y121 AromaticContact CZ2-CD2 3.29Å; W14-Y121 HydrophobicContact CZ2-CD2 3.29Å; W14-Y121 AromaticContact CZ2-CE2 3.76Å; W14-Y121 HydrophobicContact CZ2-CE2 3.76Å; W14-Y121 HydrophobicContact CZ2-CG 4.4Å; W14-Y121 HydrophobicContact CZ3-CD2 4.02Å; W14-Y121 HydrophobicContact CZ3-CG 4.47Å; S119-Y121 WeakPolarHBondContact OG-CB 3.31Å; S119-Y121 PolarHBondContact OG-N 2.94Å; Y121-R123 PolarHBondContact O-N 3.09Å; Y121-V124 PolarHBondContact O-N 3.13Å; Y121-V124 VanDerWaalsContact O-N 3.15Å; Y121-R125 HydrophobicContact CD2-CB 4.43Å; Y121-R125 HydrophobicContact CD2-CG 4.42Å; Y121-R125 HydrophobicContact CE1-CB 4.4Å; Y121-R125 HydrophobicContact CE2-CB 4.04Å; Y121-R125 HydrophobicContact CE2-CG 3.99Å; Y121-R125 PolarHBondContact O-N 3.34Å; Y121-F187 HydrophobicContact CD1-CB 4.34Å; Y121-F187 HydrophobicContact CE1-CB 4.48Å; Y121-E189 WeakPolarHBondContact CB-OE1 3.47Å; Y121-E189 PolarHBondContact N-OE1 3.49Å
122H86Confident85.7Confident7 Ų762.6 Ų62.63%0.03232%0.32CS..Hα-helixtrans-73.3-11.7-179.3-68-66.5000113.9I120 I133 N161 V183 F187I120-H122 VanDerWaalsContact C-N 3.33Å; I120-H122 PolarHBondContact O-N 3.39Å; H122-I133 HydrophobicContact CB-CD1 4.17Å; H122-N161 PolarHBondContact O-ND2 2.87Å; H122-V183 VanDerWaalsContact CD2-CG1 3.47Å; H122-V183 WeakPolarHBondContact CD2-CG1 3.41Å; H122-F187 AromaticContact CE1-CD2 3.87Å; H122-F187 AromaticContact CE1-CG 3.9Å; H122-F187 WeakPolarHBondContact NE2-CB 3.25Å; H122-F187 AromaticContact NE2-CD2 3.27Å; H122-F187 VanDerWaalsContact NE2-CD2 3.27Å; H122-F187 WeakPolarHBondContact NE2-CD2 3.35Å; H122-F187 AromaticContact NE2-CG 3.57Å
123R86Confident85.8Confident28 Ų2858.7 Ų58.711%0.10631%0.305CS..Hα-helixtrans-82.3-30.3169.9-61.9-175.4172.4-72.7-7.5111.9C10 I120 Y121 W167 S178 L181C10-R123 HydrophobicContact CB-CB 4.45Å; I120-R123 WeakPolarHBondContact O-CB 3.27Å; I120-R123 PolarHBondContact O-N 3.23Å; Y121-R123 PolarHBondContact O-N 3.09Å; R123-W167 HydrophobicContact CG-CH2 4.07Å; R123-W167 HydrophobicContact CG-CZ2 4.02Å; R123-S178 PolarHBondContact NH1-O 3.22Å; R123-S178 VanDerWaalsContact NH1-O 3.11Å; R123-S178 PolarHBondContact NH2-O 3.17Å; R123-L181 PolarHBondContact NH2-O 2.99Å
124V85.5Confident85.8Confident9 Ų959.7 Ų59.76%0.05531%0.31CS..Hα-helixtrans-90.5-42.3-179.2176.50000111.9C10 E11 W14 Y15 I120 Y121C10-V124 HydrophobicContact CB-CG2 3.73Å; E11-V124 HydrophobicContact CG-CG1 4.11Å; E11-V124 HydrophobicContact CG-CG2 4.05Å; W14-V124 HydrophobicContact CB-CG1 4.27Å; W14-V124 HydrophobicContact CB-CG2 4.01Å; W14-V124 HydrophobicContact CG-CB 4.5Å; W14-V124 HydrophobicContact CG-CG1 4.18Å; W14-V124 HydrophobicContact CG-CG2 4.46Å; Y15-V124 HydrophobicContact CD2-CG1 4.32Å; Y15-V124 HydrophobicContact CE2-CG1 3.43Å; Y15-V124 VanDerWaalsContact CE2-CG1 3.43Å; I120-V124 PolarHBondContact O-N 3.41Å; Y121-V124 PolarHBondContact O-N 3.13Å; Y121-V124 VanDerWaalsContact O-N 3.15Å
125R85.6Confident85.9Confident112 Ų11259.7 Ų59.742%0.42331%0.31SS..SBendtrans-113.1114.2-176.3-66.9-154.5-178.4-179.4-5.4111.5Y121Y121-R125 HydrophobicContact CD2-CB 4.43Å; Y121-R125 HydrophobicContact CD2-CG 4.42Å; Y121-R125 HydrophobicContact CE1-CB 4.4Å; Y121-R125 HydrophobicContact CE2-CB 4.04Å; Y121-R125 HydrophobicContact CE2-CG 3.99Å; Y121-R125 PolarHBondContact O-N 3.34Å
126P86Confident86.2Confident76 Ų7657.7 Ų57.749%0.49430%0.296SS..PPolyproline II helixtrans-60.4151.6172.5-24.834.5000113.2N161P126-N161 VanDerWaalsContact CA-OD1 3.25Å; P126-N161 WeakPolarHBondContact CA-OD1 3.45Å
127L85.6Confident86.4Confident16 Ų1651.5 Ų51.58%0.08426%0.262CS..PPolyproline II helixtrans-64141.5173.8-65.5170000110.2Q131 I133 I158 N161L127-Q131 HydrophobicContact CB-CB 4.39Å; L127-Q131 HydrophobicContact CD2-CB 4.29Å; L127-I133 HydrophobicContact CD1-CD1 3.99Å; L127-I133 HydrophobicContact CD1-CG1 3.93Å; L127-I133 HydrophobicContact CD1-CG2 4.5Å; L127-I133 HydrophobicContact CD2-CD1 4.18Å; L127-I133 HydrophobicContact CD2-CG1 4.34Å; L127-I133 HydrophobicContact CD2-CG2 3.52Å; L127-I133 HydrophobicContact CG-CD1 4.41Å; L127-I158 HydrophobicContact CD1-CG2 4.02Å; L127-N161 WeakPolarHBondContact CB-OD1 3.08Å; L127-N161 WeakPolarHBondContact CG-OD1 3.45Å; L127-N161 PolarHBondContact N-OD1 3.27Å
128K82.5Confident86.4Confident157 Ų15750.3 Ų50.368%0.68326%0.256SS*.PPolyproline II helixtrans-74.3154.8170.4-61.8-176.6178.3-176.30109.7G130 Q131K128-G130 PolarHBondContact O-N 3.48Å; K128-Q131 HydrophobicContact CB-CG 4.24Å; K128-Q131 VanDerWaalsContact N-OE1 3.11Å; K128-Q131 WeakPolarHBondContact O-CB 3.29Å; K128-Q131 PolarHBondContact O-N 2.94Å
129K75.9Confident86.5Confident208 Ų20850.9 Ų50.990%0.90426%0.26SS*.THydrogen-bonded Turntrans-50.2127.1176.8-70.4-173.8178.3-177.70110.4
130G77Confident86.3Confident85 Ų8555.3 Ų55.388%0.87628%0.283SS*.THydrogen-bonded Turntrans87.2-6.3179.100000116K128K128-G130 PolarHBondContact O-N 3.48Å
131Q84.7Confident86.1Confident90 Ų9057 Ų5742%0.42129%0.29SS..  trans-81.5140.9173.7-65.9-175.6-32.600110.9L127 K128L127-Q131 HydrophobicContact CB-CB 4.39Å; L127-Q131 HydrophobicContact CD2-CB 4.29Å; K128-Q131 HydrophobicContact CB-CG 4.24Å; K128-Q131 VanDerWaalsContact N-OE1 3.11Å; K128-Q131 WeakPolarHBondContact O-CB 3.29Å; K128-Q131 PolarHBondContact O-N 2.94Å
132T85.7Confident86Confident52 Ų5260 Ų6032%0.31931%0.307SS..  trans-127.9142.4171.864.80000109.8R157 I158T132-R157 HydrophobicContact CG2-CG 4.14Å; T132-R157 PolarHBondContact OG1-NH1 2.95Å; T132-I158 VanDerWaalsContact CA-O 3.29Å; T132-I158 WeakPolarHBondContact CA-O 3.45Å
133I89.2Confident85.6Confident4 Ų460.7 Ų60.72%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-122.7154.117759177.3000110H122 L127 R157 I158 V183 F187H122-I133 HydrophobicContact CB-CD1 4.17Å; L127-I133 HydrophobicContact CD1-CD1 3.99Å; L127-I133 HydrophobicContact CD1-CG1 3.93Å; L127-I133 HydrophobicContact CD1-CG2 4.5Å; L127-I133 HydrophobicContact CD2-CD1 4.18Å; L127-I133 HydrophobicContact CD2-CG1 4.34Å; L127-I133 HydrophobicContact CD2-CG2 3.52Å; L127-I133 HydrophobicContact CG-CD1 4.41Å; I133-R157 CarbonylContact O-C 3.58Å; I133-R157 WeakPolarHBondContact O-CA 3.47Å; I133-I158 HydrophobicContact CD1-CB 4.2Å; I133-I158 HydrophobicContact CD1-CD1 3.75Å; I133-I158 HydrophobicContact CD1-CG2 4.43Å; I133-I158 HydrophobicContact CG1-CB 3.66Å; I133-I158 HydrophobicContact CG1-CD1 3.89Å; I133-I158 HydrophobicContact CG1-CG1 4.24Å; I133-I158 HydrophobicContact CG1-CG2 4.28Å; I133-I158 PolarHBondContact N-O 3.08Å; I133-I158 PolarHBondContact O-N 3.3Å; I133-V183 HydrophobicContact CB-CG1 4.42Å; I133-V183 HydrophobicContact CD1-CG1 3.92Å; I133-V183 HydrophobicContact CD1-CG2 4.01Å; I133-F187 HydrophobicContact CG2-CD2 4.25Å; I133-F187 HydrophobicContact CG2-CE2 3.78Å; I133-F187 HydrophobicContact CG2-CZ 4.19Å
134L89.3Confident85Confident98 Ų9868.6 Ų68.651%0.51335%0.347SS..EExtended strand (participates in β ladder)trans-92.8130.4172.1-67.6172.5000109.3R157L134-R157 HydrophobicContact CD2-CB 4.33Å
135A90.6Very high84.2Confident0 Ų077 Ų770%039%0.386CS..EExtended strand (participates in β ladder)trans-125.4136.7174.100000110.9F155 Y156 I158 L181 D182 V183A135-F155 CarbonylContact O-C 3.6Å; A135-F155 WeakPolarHBondContact O-CA 3.4Å; A135-Y156 PolarHBondContact N-O 3.49Å; A135-Y156 PolarHBondContact O-N 3.45Å; A135-I158 HydrophobicContact CB-CD1 3.37Å; A135-I158 HydrophobicContact CB-CG1 3.96Å; A135-L181 HydrophobicContact CB-CB 4.25Å; A135-L181 HydrophobicContact CB-CD2 4.41Å; A135-D182 CarbonylContact C-O 3.6Å; A135-D182 WeakPolarHBondContact CA-O 3.34Å; A135-V183 HydrophobicContact CB-CG2 3.92Å
136R91.2Very high83.3Confident52 Ų5275.8 Ų75.820%0.19639%0.386CS..EExtended strand (participates in β ladder)trans-86.1135.6171.8-175177.559.995.73.7109.4Y51 N153 H154 F155 D182Y51-R136 PolarHBondContact OH-NH2 3.13Å; R136-N153 PolarHBondContact NH1-OD1 3.3Å; R136-H154 WeakPolarHBondContact CA-O 3.34Å; R136-F155 HydrophobicContact CB-CD1 4.05Å; R136-F155 HydrophobicContact CB-CE1 3.8Å; R136-F155 HydrophobicContact CB-CZ 4.35Å; R136-F155 HydrophobicContact CG-CE1 4.33Å; R136-F155 HydrophobicContact CG-CZ 4.4Å; R136-D182 IonicContact CZ-OD2 2.98Å; R136-D182 PolarHBondContact N-O 3.18Å; R136-D182 IonicContact NE-OD2 2.81Å; R136-D182 IonicContact NH2-OD2 3.43Å; R136-D182 PolarHBondContact NH2-OD2 2.96Å; R136-D182 PolarHBondContact O-N 3.04Å
137A90.2Very high82.7Confident0 Ų081.4 Ų81.40%040%0.403CS..EExtended strand (participates in β ladder)trans-77.9130.417000000110.9V150 Y151 N153 H154 Y156 F180A137-V150 HydrophobicContact CB-CG1 3.39Å; A137-Y151 WeakPolarHBondContact CB-O 3.36Å; A137-N153 WeakPolarHBondContact O-CA 3.48Å; A137-N153 PolarHBondContact O-N 3.13Å; A137-H154 PolarHBondContact N-O 3.31Å; A137-Y156 HydrophobicContact CB-CD2 4.27Å; A137-Y156 HydrophobicContact CB-CE2 3.97Å; A137-F180 CarbonylContact C-O 3.57Å; A137-F180 WeakPolarHBondContact CA-O 3.33Å
138L89.4Confident82.3Confident2 Ų280.8 Ų80.81%0.0140%0.4CS..SBendtrans-78.8-34.5-178.8-68.5-179.2000113.4Y51 Q52 M152 F180 D182Y51-L138 HydrophobicContact CD1-CD1 3.44Å; Y51-L138 VanDerWaalsContact CD1-CD1 3.44Å; Y51-L138 HydrophobicContact CD1-CD2 3.65Å; Y51-L138 HydrophobicContact CD1-CG 4.21Å; Y51-L138 HydrophobicContact CE1-CD1 4.01Å; Y51-L138 HydrophobicContact CE1-CD2 3.42Å; Y51-L138 VanDerWaalsContact CE1-CD2 3.42Å; Y51-L138 HydrophobicContact CE1-CG 4.37Å; Y51-L138 HydrophobicContact CE2-CD2 4.41Å; Y51-L138 HydrophobicContact CG-CD1 4.09Å; Y51-L138 HydrophobicContact CG-CD2 4.24Å; Q52-L138 HydrophobicContact CG-CD1 4.34Å; Q52-L138 VanDerWaalsContact NE2-CD1 3.26Å; L138-M152 WeakPolarHBondContact O-CG 3.03Å; L138-F180 PolarHBondContact N-O 3.1Å; L138-D182 HydrophobicContact CD2-CB 3.75Å; L138-D182 HydrophobicContact CG-CB 4.09Å
139T88.8Confident82.4Confident12 Ų1278.7 Ų78.77%0.07439%0.391CS..SBendtrans-143.5163.8-179.2600000109.5Y47 F141 F180Y47-T139 HydrophobicContact CD1-CG2 3.41Å; Y47-T139 VanDerWaalsContact CD1-CG2 3.41Å; Y47-T139 HydrophobicContact CE1-CG2 3.88Å; Y47-T139 HydrophobicContact CG-CG2 4.45Å; T139-F141 PolarHBondContact O-N 3.48Å; T139-F180 WeakPolarHBondContact OG1-CD1 3.29Å; T139-F180 WeakPolarHBondContact OG1-CE1 3.5Å
140D87.8Confident82.8Confident95 Ų9568.9 Ų68.951%0.50835%0.348SS..  trans-62.4136.4167.3-61.5-38.7000110.3V150 Y151 M152D140-V150 WeakPolarHBondContact CA-O 3.42Å; D140-Y151 WeakPolarHBondContact OD1-CA 3.34Å; D140-M152 WeakPolarHBondContact OD1-CB 3.41Å; D140-M152 PolarHBondContact OD1-N 2.88Å
141F84.8Confident83.4Confident37 Ų3771 Ų7116%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-136.3119.6175.2175.7-99.4000109.5T139 V150 I176 P177 F180T139-F141 PolarHBondContact O-N 3.48Å; F141-V150 HydrophobicContact CB-CB 4.19Å; F141-V150 HydrophobicContact CD1-CG2 4.27Å; F141-V150 PolarHBondContact N-O 2.64Å; F141-V150 PolarHBondContact O-N 3.02Å; F141-I176 HydrophobicContact CD1-CG2 4.38Å; F141-P177 HydrophobicContact CE2-CG 4.09Å; F141-P177 HydrophobicContact CZ-CG 3.89Å; F141-F180 HydrophobicContact CB-CD2 4.46Å; F141-F180 AromaticContact CD2-CD2 3.87Å; F141-F180 HydrophobicContact CD2-CD2 3.87Å; F141-F180 AromaticContact CD2-CE2 3.47Å; F141-F180 HydrophobicContact CD2-CE2 3.47Å; F141-F180 VanDerWaalsContact CD2-CE2 3.47Å; F141-F180 HydrophobicContact CD2-CZ 4.01Å; F141-F180 HydrophobicContact CE2-CD2 4.38Å; F141-F180 AromaticContact CE2-CE2 3.81Å; F141-F180 HydrophobicContact CE2-CE2 3.81Å; F141-F180 HydrophobicContact CG-CD2 4.22Å; F141-F180 HydrophobicContact CG-CE2 4.26Å
142E83.8Confident83.5Confident121 Ų12170.5 Ų70.557%0.56533%0.329SS*.EExtended strand (participates in β ladder)trans-118.3118.1172.4-179.8168.6-17300108.9C148 K149E142-C148 WeakPolarHBondContact CA-O 3.26Å; E142-K149 HydrophobicContact CB-CG 4.49Å; E142-K149 HydrophobicContact CG-CG 4.09Å; E142-K149 WeakPolarHBondContact OE1-CE 3.47Å; E142-K149 IonicContact OE1-NZ 3.05Å; E142-K149 PolarHBondContact OE1-NZ 2.75Å; E142-K149 IonicContact OE2-NZ 3.45Å; E142-K149 PolarHBondContact OE2-NZ 3.12Å
143S78.5Confident83.7Confident20 Ų2071.9 Ų71.914%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-98.6111.2170.9177.70000109.6Q145 M146 K147 C148S143-Q145 PolarHBondContact O-N 2.99Å; S143-Q145 PolarHBondContact OG-N 2.9Å; S143-M146 PolarHBondContact O-N 3.09Å; S143-M146 PolarHBondContact OG-N 3.21Å; S143-M146 VanDerWaalsContact OG-N 3.15Å; S143-K147 PolarHBondContact O-N 3.46Å; S143-C148 PolarHBondContact N-O 3.05Å
144K72.2Confident83.7Confident195 Ų19576.7 Ų76.785%0.84836%0.357SS*.THydrogen-bonded Turntrans-58.3-34.1172.5-68.5-173.8178.9-178.70111.9
145Q70.4Confident83.7Confident184 Ų18478.8 Ų78.886%0.8636%0.362SS*.THydrogen-bonded Turntrans-74.9-39.3-178.9-68.5178.8-9.200112.5S143S143-Q145 PolarHBondContact O-N 2.99Å; S143-Q145 PolarHBondContact OG-N 2.9Å
146M66.9Low83.7Confident88 Ų8880.6 Ų80.643%0.43337%0.369SS..THydrogen-bonded Turntrans-98.60-174.2-61.7-145.7-178.800114.4S143 C148 H174S143-M146 PolarHBondContact O-N 3.09Å; S143-M146 PolarHBondContact OG-N 3.21Å; S143-M146 VanDerWaalsContact OG-N 3.15Å; M146-C148 HydrophobicContact CB-CB 4.36Å; M146-C148 PolarHBondContact O-N 2.85Å; M146-C148 VanDerWaalsContact O-N 3.08Å; M146-H174 PolarHBondContact O-CE1 3.4Å; M146-H174 VanDerWaalsContact O-CE1 3.28Å; M146-H174 PolarHBondContact O-NE2 3.3Å
147K72.3Confident83.7Confident193 Ų19384.1 Ų84.184%0.83938%0.383SS*.THydrogen-bonded Turntrans48.833.4-173.7-62.1-175.9179.3179.90112.9S143S143-K147 PolarHBondContact O-N 3.46Å
148C77.4Confident83.7Confident3 Ų384.1 Ų84.12%0.0238%0.383CS..EExtended strand (participates in β ladder)trans-105.3130.2-179.9-175.10000109.5E142 S143 M146 H174E142-C148 WeakPolarHBondContact CA-O 3.26Å; S143-C148 PolarHBondContact N-O 3.05Å; M146-C148 HydrophobicContact CB-CB 4.36Å; M146-C148 PolarHBondContact O-N 2.85Å; M146-C148 VanDerWaalsContact O-N 3.08Å; C148-H174 HydrophobicContact CB-CB 4.03Å; C148-H174 VanDerWaalsContact CB-CD2 3.45Å; C148-H174 WeakPolarHBondContact CB-CD2 3.37Å
149K83.6Confident83.6Confident113 Ų11386.2 Ų86.249%0.49140%0.396SS..EExtended strand (participates in β ladder)trans-117.9125.9171.6-67.7-172.7-179.3-151.10109.3E142E142-K149 HydrophobicContact CB-CG 4.49Å; E142-K149 HydrophobicContact CG-CG 4.09Å; E142-K149 WeakPolarHBondContact OE1-CE 3.47Å; E142-K149 IonicContact OE1-NZ 3.05Å; E142-K149 PolarHBondContact OE1-NZ 2.75Å; E142-K149 IonicContact OE2-NZ 3.45Å; E142-K149 PolarHBondContact OE2-NZ 3.12Å
150V85.9Confident83.5Confident3 Ų386.6 Ų86.62%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-118.8129.7176.7-174.90000106.7A137 D140 F141 Y156 I176A137-V150 HydrophobicContact CB-CG1 3.39Å; D140-V150 WeakPolarHBondContact CA-O 3.42Å; F141-V150 HydrophobicContact CB-CB 4.19Å; F141-V150 HydrophobicContact CD1-CG2 4.27Å; F141-V150 PolarHBondContact N-O 2.64Å; F141-V150 PolarHBondContact O-N 3.02Å; V150-Y156 HydrophobicContact CG1-CD2 4.04Å; V150-Y156 HydrophobicContact CG1-CE2 3.42Å; V150-Y156 VanDerWaalsContact CG1-CE2 3.42Å; V150-I176 HydrophobicContact CG2-CD1 3.32Å; V150-I176 HydrophobicContact CG2-CG1 3.9Å; V150-I176 HydrophobicContact CG2-CG2 4.46Å
151Y87.9Confident83.6Confident128 Ų12882.3 Ų82.350%0.50238%0.376SS..  trans-101.3137.5-178.9-61.7-75.2000110.3A137 D140 N153 H154 Y156A137-Y151 WeakPolarHBondContact CB-O 3.36Å; D140-Y151 WeakPolarHBondContact OD1-CA 3.34Å; Y151-N153 PolarHBondContact O-N 2.69Å; Y151-H154 WeakPolarHBondContact CB-ND1 3.29Å; Y151-H154 WeakPolarHBondContact O-CB 3.41Å; Y151-H154 PolarHBondContact O-N 3.28Å; Y151-Y156 PolarHBondContact N-OH 3.32Å
152M88.5Confident83.6Confident80 Ų8087.1 Ų87.139%0.39440%0.399SS..THydrogen-bonded Turntrans-51.4139.6176.6-177.1174.5178.600110.9L138 D140 H154L138-M152 WeakPolarHBondContact O-CG 3.03Å; D140-M152 WeakPolarHBondContact OD1-CB 3.41Å; D140-M152 PolarHBondContact OD1-N 2.88Å; M152-H154 PolarHBondContact O-N 2.91Å; M152-H154 PolarHBondContact O-ND1 2.72Å; M152-H154 VanDerWaalsContact O-ND1 3.08Å
153N88Confident83.7Confident81 Ų8185.1 Ų85.143%0.43339%0.392SS..THydrogen-bonded Turntrans59.86.1-179.5-64.2-39.8000116.5R136 A137 Y151R136-N153 PolarHBondContact NH1-OD1 3.3Å; A137-N153 WeakPolarHBondContact O-CA 3.48Å; A137-N153 PolarHBondContact O-N 3.13Å; Y151-N153 PolarHBondContact O-N 2.69Å
154H90.2Very high84Confident106 Ų10685.5 Ų85.549%0.49139%0.394SS..  trans-80.3147.2171.2-73.862.4000111R136 A137 Y151 M152 Y156R136-H154 WeakPolarHBondContact CA-O 3.34Å; A137-H154 PolarHBondContact N-O 3.31Å; Y151-H154 WeakPolarHBondContact CB-ND1 3.29Å; Y151-H154 WeakPolarHBondContact O-CB 3.41Å; Y151-H154 PolarHBondContact O-N 3.28Å; M152-H154 PolarHBondContact O-N 2.91Å; M152-H154 PolarHBondContact O-ND1 2.72Å; M152-H154 VanDerWaalsContact O-ND1 3.08Å; H154-Y156 HydrophobicContact CB-CD2 4.46Å; H154-Y156 HydrophobicContact CB-CE2 3.57Å; H154-Y156 WeakPolarHBondContact O-CD2 3.26Å; H154-Y156 WeakPolarHBondContact O-CE2 3.27Å
155F89.8Confident84.7Confident142 Ų14279.8 Ų79.862%0.62337%0.37SS*.EExtended strand (participates in β ladder)trans-95.4127.6178.7-67.9-88.6000110.7A135 R136A135-F155 CarbonylContact O-C 3.6Å; A135-F155 WeakPolarHBondContact O-CA 3.4Å; R136-F155 HydrophobicContact CB-CD1 4.05Å; R136-F155 HydrophobicContact CB-CE1 3.8Å; R136-F155 HydrophobicContact CB-CZ 4.35Å; R136-F155 HydrophobicContact CG-CE1 4.33Å; R136-F155 HydrophobicContact CG-CZ 4.4Å
156Y90.2Very high85.6Confident37 Ų3772.1 Ų72.115%0.14534%0.338CS..EExtended strand (participates in β ladder)trans-119.7141.8178.8-62-87.1000109.8A135 A137 V150 Y151 H154 I169A135-Y156 PolarHBondContact N-O 3.49Å; A135-Y156 PolarHBondContact O-N 3.45Å; A137-Y156 HydrophobicContact CB-CD2 4.27Å; A137-Y156 HydrophobicContact CB-CE2 3.97Å; V150-Y156 HydrophobicContact CG1-CD2 4.04Å; V150-Y156 HydrophobicContact CG1-CE2 3.42Å; V150-Y156 VanDerWaalsContact CG1-CE2 3.42Å; Y151-Y156 PolarHBondContact N-OH 3.32Å; H154-Y156 HydrophobicContact CB-CD2 4.46Å; H154-Y156 HydrophobicContact CB-CE2 3.57Å; H154-Y156 WeakPolarHBondContact O-CD2 3.26Å; H154-Y156 WeakPolarHBondContact O-CE2 3.27Å; Y156-I169 HydrophobicContact CD1-CD1 4.14Å
157R91Very high86.7Confident127 Ų12768.1 Ų68.148%0.47932%0.318SS..EExtended strand (participates in β ladder)trans-87.7116.2177.8-175.9179.7-71-118.18.5109.2T132 I133 L134 I169 N170T132-R157 HydrophobicContact CG2-CG 4.14Å; T132-R157 PolarHBondContact OG1-NH1 2.95Å; I133-R157 CarbonylContact O-C 3.58Å; I133-R157 WeakPolarHBondContact O-CA 3.47Å; L134-R157 HydrophobicContact CD2-CB 4.33Å; R157-I169 CarbonylContact O-C 3.58Å; R157-I169 WeakPolarHBondContact O-CA 3.45Å; R157-N170 HydrophobicContact CB-CB 4.22Å; R157-N170 WeakPolarHBondContact CD-ND2 3.28Å; R157-N170 PolarHBondContact O-N 3.48Å
158I89.7Confident87.5Confident0 Ų063.3 Ų63.30%030%0.299CS..EExtended strand (participates in β ladder)trans-82.7130.2176-60.7166.2000109.1L127 T132 I133 A135 W167 Q168 I169 L181 V183L127-I158 HydrophobicContact CD1-CG2 4.02Å; T132-I158 VanDerWaalsContact CA-O 3.29Å; T132-I158 WeakPolarHBondContact CA-O 3.45Å; I133-I158 HydrophobicContact CD1-CB 4.2Å; I133-I158 HydrophobicContact CD1-CD1 3.75Å; I133-I158 HydrophobicContact CD1-CG2 4.43Å; I133-I158 HydrophobicContact CG1-CB 3.66Å; I133-I158 HydrophobicContact CG1-CD1 3.89Å; I133-I158 HydrophobicContact CG1-CG1 4.24Å; I133-I158 HydrophobicContact CG1-CG2 4.28Å; I133-I158 PolarHBondContact N-O 3.08Å; I133-I158 PolarHBondContact O-N 3.3Å; A135-I158 HydrophobicContact CB-CD1 3.37Å; A135-I158 HydrophobicContact CB-CG1 3.96Å; I158-W167 HydrophobicContact CD1-CD2 4.24Å; I158-W167 HydrophobicContact CD1-CE3 3.3Å; I158-W167 HydrophobicContact CD1-CZ3 3.73Å; I158-W167 HydrophobicContact CG1-CE3 4.44Å; I158-W167 HydrophobicContact CG2-CB 4.22Å; I158-Q168 CarbonylContact C-O 3.48Å; I158-Q168 WeakPolarHBondContact CA-O 3.34Å; I158-Q168 WeakPolarHBondContact CG2-O 3.34Å; I158-I169 HydrophobicContact CG1-CG2 4.43Å; I158-L181 HydrophobicContact CD1-CD1 4.35Å; I158-V183 HydrophobicContact CD1-CG2 4.19Å
159T87.3Confident88Confident46 Ų4663.3 Ų63.328%0.28230%0.298SS..EExtended strand (participates in β ladder)trans-94.7-32.5174.648.20000113.2Q168 N170T159-Q168 PolarHBondContact N-O 3.22Å; T159-Q168 WeakPolarHBondContact OG1-CB 2.87Å; T159-Q168 PolarHBondContact OG1-O 3.41Å; T159-Q168 VanDerWaalsContact OG1-O 3.12Å; T159-N170 HydrophobicContact CG2-CB 3.93Å; T159-N170 WeakPolarHBondContact CG2-ND2 3.47Å; T159-N170 WeakPolarHBondContact CG2-OD1 3.43Å
160S87.2Confident87.8Confident20 Ų2061.7 Ų61.714%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-152.2132.6-177.6-177.30000110.9Q162 W167 Q168S160-Q162 PolarHBondContact OG-N 2.88Å; S160-W167 CarbonylContact O-C 3.57Å; S160-W167 WeakPolarHBondContact O-CA 3.5Å; S160-Q168 PolarHBondContact O-N 3.27Å
161N89.3Confident86.9Confident5 Ų569 Ų693%0.02733%0.334CS..  trans-12226.4171.966.6-21.3000110.9H122 P126 L127 N163 W167H122-N161 PolarHBondContact O-ND2 2.87Å; P126-N161 VanDerWaalsContact CA-OD1 3.25Å; P126-N161 WeakPolarHBondContact CA-OD1 3.45Å; L127-N161 WeakPolarHBondContact CB-OD1 3.08Å; L127-N161 WeakPolarHBondContact CG-OD1 3.45Å; L127-N161 PolarHBondContact N-OD1 3.27Å; N161-N163 VanDerWaalsContact C-N 3.27Å; N161-N163 PolarHBondContact O-N 2.95Å; N161-W167 HydrophobicContact CB-CD2 4.03Å; N161-W167 HydrophobicContact CB-CG 3.88Å; N161-W167 HydrophobicContact CB-CZ2 4.46Å
162Q86.5Confident85.6Confident138 Ų13866 Ų6665%0.64533%0.33SS*.  trans-61.2-38179.1-70.8-177.2-1.900112S160S160-Q162 PolarHBondContact OG-N 2.88Å
163N85.9Confident84.8Confident79 Ų7964.7 Ų64.742%0.42234%0.338SS..SBendtrans-83.9118.6170.3-177.6-11.5000108.8N161 H165 A166 W167N161-N163 VanDerWaalsContact C-N 3.27Å; N161-N163 PolarHBondContact O-N 2.95Å; N163-H165 PolarHBondContact O-N 3.46Å; N163-H165 WeakPolarHBondContact OD1-CB 3.3Å; N163-H165 PolarHBondContact OD1-CD2 3.23Å; N163-H165 PolarHBondContact OD1-N 3.33Å; N163-A166 WeakPolarHBondContact CB-O 3.22Å; N163-W167 VanDerWaalsContact O-CD1 3.23Å
164P84.4Confident84.6Confident27 Ų2763.1 Ų63.118%0.17533%0.328CS..SBendtrans-64.8-25.7179.629.7-39.4000112.8I3 S178I3-P164 WeakPolarHBondContact CG2-O 3.47Å; P164-S178 WeakPolarHBondContact O-CB 3.33Å; P164-S178 PolarHBondContact O-OG 3.3Å
165H87.2Confident84.3Confident76 Ų7659.8 Ų59.835%0.35232%0.318SS..SBendtrans-82-35.2-176.8-57.2-78.1000113.1I3 D4 N163 P177 S178I3-H165 HydrophobicContact CD1-CB 4.38Å; I3-H165 WeakPolarHBondContact CD1-O 3.49Å; D4-H165 IonicContact OD1-CE1 3Å; D4-H165 PolarHBondContact OD1-CE1 2.9Å; D4-H165 IonicContact OD1-NE2 3.59Å; D4-H165 IonicContact OD2-CE1 2.68Å; N163-H165 PolarHBondContact O-N 3.46Å; N163-H165 WeakPolarHBondContact OD1-CB 3.3Å; N163-H165 PolarHBondContact OD1-CD2 3.23Å; N163-H165 PolarHBondContact OD1-N 3.33Å; H165-P177 CarbonylContact O-C 3.53Å; H165-P177 VanDerWaalsContact O-CA 3.27Å; H165-P177 WeakPolarHBondContact O-CA 3.42Å; H165-S178 PolarHBondContact O-N 2.98Å
166A88.6Confident84.2Confident22 Ų2253 Ų5318%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-141.4126.3-175.700000110.8N163 A175 I176N163-A166 WeakPolarHBondContact CB-O 3.22Å; A166-A175 HydrophobicContact CB-CB 3.92Å; A166-I176 CarbonylContact C-O 3.59Å; A166-I176 VanDerWaalsContact CA-O 3.24Å; A166-I176 WeakPolarHBondContact CA-O 3.4Å
167W90.6Very high84.2Confident4 Ų453 Ų532%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-101.8139.7180-63.6-8.9000109.9R123 I158 S160 N161 N163 A175 I176 S178 L181 V183R123-W167 HydrophobicContact CG-CH2 4.07Å; R123-W167 HydrophobicContact CG-CZ2 4.02Å; I158-W167 HydrophobicContact CD1-CD2 4.24Å; I158-W167 HydrophobicContact CD1-CE3 3.3Å; I158-W167 HydrophobicContact CD1-CZ3 3.73Å; I158-W167 HydrophobicContact CG1-CE3 4.44Å; I158-W167 HydrophobicContact CG2-CB 4.22Å; S160-W167 CarbonylContact O-C 3.57Å; S160-W167 WeakPolarHBondContact O-CA 3.5Å; N161-W167 HydrophobicContact CB-CD2 4.03Å; N161-W167 HydrophobicContact CB-CG 3.88Å; N161-W167 HydrophobicContact CB-CZ2 4.46Å; N163-W167 VanDerWaalsContact O-CD1 3.23Å; W167-A175 WeakPolarHBondContact O-CA 3.26Å; W167-I176 PolarHBondContact N-O 2.68Å; W167-I176 PolarHBondContact O-N 2.6Å; W167-S178 VanDerWaalsContact CE2-CB 3.48Å; W167-L181 HydrophobicContact CB-CD1 4.01Å; W167-L181 HydrophobicContact CD2-CD1 4.4Å; W167-L181 HydrophobicContact CE3-CB 3.88Å; W167-L181 HydrophobicContact CE3-CD1 3.73Å; W167-L181 HydrophobicContact CE3-CG 4.47Å; W167-L181 HydrophobicContact CZ3-CB 3.99Å; W167-V183 HydrophobicContact CH2-CG2 4.07Å; W167-V183 HydrophobicContact CZ3-CG2 3.59Å
168Q89.2Confident84.1Confident93 Ų9347 Ų4744%0.43527%0.27SS..EExtended strand (participates in β ladder)trans-84.8126.6178.5-66.7179.1-16.900109.7I158 T159 S160 H174I158-Q168 CarbonylContact C-O 3.48Å; I158-Q168 WeakPolarHBondContact CA-O 3.34Å; I158-Q168 WeakPolarHBondContact CG2-O 3.34Å; T159-Q168 PolarHBondContact N-O 3.22Å; T159-Q168 WeakPolarHBondContact OG1-CB 2.87Å; T159-Q168 PolarHBondContact OG1-O 3.41Å; T159-Q168 VanDerWaalsContact OG1-O 3.12Å; S160-Q168 PolarHBondContact O-N 3.27Å; Q168-H174 WeakPolarHBondContact CA-O 3.48Å
169I86.6Confident84.2Confident2 Ų247.3 Ų47.31%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-97.8145.1171.855.5156.1000111.2Y156 R157 I158 N171 G173 H174 I176Y156-I169 HydrophobicContact CD1-CD1 4.14Å; R157-I169 CarbonylContact O-C 3.58Å; R157-I169 WeakPolarHBondContact O-CA 3.45Å; I158-I169 HydrophobicContact CG1-CG2 4.43Å; I169-N171 PolarHBondContact O-N 2.85Å; I169-G173 WeakPolarHBondContact O-CA 3.45Å; I169-G173 PolarHBondContact O-N 2.79Å; I169-G173 VanDerWaalsContact O-N 3.08Å; I169-H174 WeakPolarHBondContact CG1-O 3.45Å; I169-H174 PolarHBondContact N-O 3.23Å; I169-H174 VanDerWaalsContact N-O 3.07Å; I169-I176 HydrophobicContact CB-CD1 4.28Å; I169-I176 HydrophobicContact CD1-CD1 3.34Å; I169-I176 HydrophobicContact CD1-CG1 4.41Å; I169-I176 HydrophobicContact CG1-CD1 3.6Å; I169-I176 HydrophobicContact CG1-CG1 4.38Å; I169-I176 HydrophobicContact CG2-CD1 3.74Å
170N78.8Confident84.4Confident79 Ų7945.5 Ų45.542%0.42226%0.26SS..SBendtrans-64.8129.2166.7-102.2-25.1000108.9R157 T159R157-N170 HydrophobicContact CB-CB 4.22Å; R157-N170 WeakPolarHBondContact CD-ND2 3.28Å; R157-N170 PolarHBondContact O-N 3.48Å; T159-N170 HydrophobicContact CG2-CB 3.93Å; T159-N170 WeakPolarHBondContact CG2-ND2 3.47Å; T159-N170 WeakPolarHBondContact CG2-OD1 3.43Å
171N67.8Low84.5Confident156 Ų15644.5 Ų44.583%0.83425%0.253SS*.SBendtrans50.784.9173.6-121.2-0.5000113.9I169I169-N171 PolarHBondContact O-N 2.85Å
172P60.6Low84.6Confident65 Ų6545 Ų4542%0.42226%0.256SS..SBendcis-115.151.433.412.612.5000112.4H174P172-H174 VanDerWaalsContact CB-CD2 3.46Å; P172-H174 WeakPolarHBondContact CB-CD2 3.43Å; P172-H174 VanDerWaalsContact CB-NE2 3.34Å; P172-H174 WeakPolarHBondContact CB-NE2 3.47Å; P172-H174 WeakPolarHBondContact CG-CD2 3.47Å; P172-H174 PolarHBondContact O-CD2 3.48Å; P172-H174 VanDerWaalsContact O-CD2 3.3Å; P172-H174 PolarHBondContact O-CE1 3.28Å; P172-H174 VanDerWaalsContact O-CE1 3.31Å; P172-H174 PolarHBondContact O-N 3.25Å; P172-H174 PolarHBondContact O-ND1 3.47Å; P172-H174 VanDerWaalsContact O-ND1 3.1Å; P172-H174 PolarHBondContact O-NE2 3.01Å
173G71.7Confident84.8Confident54 Ų5438.7 Ų38.756%0.55723%0.227SC*.  trans5811.9172.300000115.1I169I169-G173 WeakPolarHBondContact O-CA 3.45Å; I169-G173 PolarHBondContact O-N 2.79Å; I169-G173 VanDerWaalsContact O-N 3.08Å
174H83Confident84.9Confident48 Ų4837.3 Ų37.322%0.22222%0.224CC..  trans-85.1148.4-168.6-65.7-44.9000110.7M146 C148 Q168 I169 P172M146-H174 PolarHBondContact O-CE1 3.4Å; M146-H174 VanDerWaalsContact O-CE1 3.28Å; M146-H174 PolarHBondContact O-NE2 3.3Å; C148-H174 HydrophobicContact CB-CB 4.03Å; C148-H174 VanDerWaalsContact CB-CD2 3.45Å; C148-H174 WeakPolarHBondContact CB-CD2 3.37Å; Q168-H174 WeakPolarHBondContact CA-O 3.48Å; I169-H174 WeakPolarHBondContact CG1-O 3.45Å; I169-H174 PolarHBondContact N-O 3.23Å; I169-H174 VanDerWaalsContact N-O 3.07Å; P172-H174 VanDerWaalsContact CB-CD2 3.46Å; P172-H174 WeakPolarHBondContact CB-CD2 3.43Å; P172-H174 VanDerWaalsContact CB-NE2 3.34Å; P172-H174 WeakPolarHBondContact CB-NE2 3.47Å; P172-H174 WeakPolarHBondContact CG-CD2 3.47Å; P172-H174 PolarHBondContact O-CD2 3.48Å; P172-H174 VanDerWaalsContact O-CD2 3.3Å; P172-H174 PolarHBondContact O-CE1 3.28Å; P172-H174 VanDerWaalsContact O-CE1 3.31Å; P172-H174 PolarHBondContact O-N 3.25Å; P172-H174 PolarHBondContact O-ND1 3.47Å; P172-H174 VanDerWaalsContact O-ND1 3.1Å; P172-H174 PolarHBondContact O-NE2 3.01Å
175A85.8Confident85Confident35 Ų3536.1 Ų36.129%0.28922%0.216SC..EExtended strand (participates in β ladder)trans-85.6115.4173.300000109.1A166 W167A166-A175 HydrophobicContact CB-CB 3.92Å; W167-A175 WeakPolarHBondContact O-CA 3.26Å
176I87.5Confident84.8Confident0 Ų038.5 Ų38.50%023%0.227CC..EExtended strand (participates in β ladder)trans-105.6137.3176.6-66.1163000108.5F141 V150 A166 W167 I169 S178 L181F141-I176 HydrophobicContact CD1-CG2 4.38Å; V150-I176 HydrophobicContact CG2-CD1 3.32Å; V150-I176 HydrophobicContact CG2-CG1 3.9Å; V150-I176 HydrophobicContact CG2-CG2 4.46Å; A166-I176 CarbonylContact C-O 3.59Å; A166-I176 VanDerWaalsContact CA-O 3.24Å; A166-I176 WeakPolarHBondContact CA-O 3.4Å; W167-I176 PolarHBondContact N-O 2.68Å; W167-I176 PolarHBondContact O-N 2.6Å; I169-I176 HydrophobicContact CB-CD1 4.28Å; I169-I176 HydrophobicContact CD1-CD1 3.34Å; I169-I176 HydrophobicContact CD1-CG1 4.41Å; I169-I176 HydrophobicContact CG1-CD1 3.6Å; I169-I176 HydrophobicContact CG1-CG1 4.38Å; I169-I176 HydrophobicContact CG2-CD1 3.74Å; I176-S178 PolarHBondContact O-N 2.84Å; I176-L181 HydrophobicContact CB-CD1 4.26Å; I176-L181 HydrophobicContact CG2-CD1 4.14Å; I176-L181 HydrophobicContact CG2-CD2 4.36Å; I176-L181 HydrophobicContact CG2-CG 4.17Å
177P88.7Confident84.5Confident36 Ų3642 Ų4223%0.23424%0.238CC..EExtended strand (participates in β ladder)trans-55.2127.1175.5-23.532.8000111.8F141 H165 L179 F180F141-P177 HydrophobicContact CE2-CG 4.09Å; F141-P177 HydrophobicContact CZ-CG 3.89Å; H165-P177 CarbonylContact O-C 3.53Å; H165-P177 VanDerWaalsContact O-CA 3.27Å; H165-P177 WeakPolarHBondContact O-CA 3.42Å; P177-L179 PolarHBondContact O-N 3.31Å; P177-F180 HydrophobicContact CB-CD2 3.81Å; P177-F180 HydrophobicContact CB-CE2 4.01Å; P177-F180 HydrophobicContact CG-CD2 4.12Å; P177-F180 HydrophobicContact CG-CE2 4.08Å; P177-F180 PolarHBondContact O-N 3.29Å; P177-F180 VanDerWaalsContact O-N 3.13Å
178S90.6Very high84.2Confident1 Ų142 Ų421%0.00724%0.24CC..G310 helixtrans-62.8-14.8-175.368.30000113.8R123 P164 H165 W167 I176 F180 L181R123-S178 PolarHBondContact NH1-O 3.22Å; R123-S178 VanDerWaalsContact NH1-O 3.11Å; R123-S178 PolarHBondContact NH2-O 3.17Å; P164-S178 WeakPolarHBondContact O-CB 3.33Å; P164-S178 PolarHBondContact O-OG 3.3Å; H165-S178 PolarHBondContact O-N 2.98Å; W167-S178 VanDerWaalsContact CE2-CB 3.48Å; I176-S178 PolarHBondContact O-N 2.84Å; S178-F180 VanDerWaalsContact C-N 3.29Å; S178-F180 PolarHBondContact O-N 2.86Å; S178-L181 PolarHBondContact O-N 3.17Å
179L90.6Very high84.2Confident8 Ų837.9 Ų37.94%0.04222%0.22CC..G310 helixtrans-60.3-38.3175.1-172.965.9000112.2I3 L6 I45 A48 F49 Q52 P177 L181I3-L179 HydrophobicContact CD1-CB 4.35Å; I3-L179 HydrophobicContact CG1-CB 4.28Å; L6-L179 HydrophobicContact CD1-CD1 3.47Å; L6-L179 VanDerWaalsContact CD1-CD1 3.47Å; I45-L179 HydrophobicContact CG2-CD2 3.89Å; A48-L179 HydrophobicContact CB-CD2 4.42Å; A48-L179 HydrophobicContact CB-CG 4.04Å; F49-L179 HydrophobicContact CB-CD1 4.09Å; F49-L179 HydrophobicContact CB-CD2 4.43Å; F49-L179 HydrophobicContact CD2-CD1 4.06Å; Q52-L179 HydrophobicContact CG-CD1 4.39Å; P177-L179 PolarHBondContact O-N 3.31Å; L179-L181 VanDerWaalsContact C-N 3.3Å; L179-L181 PolarHBondContact O-N 2.88Å
180F90.6Very high84.3Confident7 Ų738.8 Ų38.83%0.03122%0.224CC..G310 helixtrans-85.6-2.5-175.2-61.2-65.8000113.8I45 A48 A137 L138 T139 F141 P177 S178I45-F180 HydrophobicContact CG1-CE1 4.38Å; I45-F180 HydrophobicContact CG1-CZ 3.76Å; A48-F180 HydrophobicContact CB-CD1 3.7Å; A48-F180 HydrophobicContact CB-CE1 3.94Å; A137-F180 CarbonylContact C-O 3.57Å; A137-F180 WeakPolarHBondContact CA-O 3.33Å; L138-F180 PolarHBondContact N-O 3.1Å; T139-F180 WeakPolarHBondContact OG1-CD1 3.29Å; T139-F180 WeakPolarHBondContact OG1-CE1 3.5Å; F141-F180 HydrophobicContact CB-CD2 4.46Å; F141-F180 AromaticContact CD2-CD2 3.87Å; F141-F180 HydrophobicContact CD2-CD2 3.87Å; F141-F180 AromaticContact CD2-CE2 3.47Å; F141-F180 HydrophobicContact CD2-CE2 3.47Å; F141-F180 VanDerWaalsContact CD2-CE2 3.47Å; F141-F180 HydrophobicContact CD2-CZ 4.01Å; F141-F180 HydrophobicContact CE2-CD2 4.38Å; F141-F180 AromaticContact CE2-CE2 3.81Å; F141-F180 HydrophobicContact CE2-CE2 3.81Å; F141-F180 HydrophobicContact CG-CD2 4.22Å; F141-F180 HydrophobicContact CG-CE2 4.26Å; P177-F180 HydrophobicContact CB-CD2 3.81Å; P177-F180 HydrophobicContact CB-CE2 4.01Å; P177-F180 HydrophobicContact CG-CD2 4.12Å; P177-F180 HydrophobicContact CG-CE2 4.08Å; P177-F180 PolarHBondContact O-N 3.29Å; P177-F180 VanDerWaalsContact O-N 3.13Å; S178-F180 VanDerWaalsContact C-N 3.29Å; S178-F180 PolarHBondContact O-N 2.86Å
181L90.7Very high84.8Confident0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-111.1135.4-173.9-62.8175.9000110.3Q52 R123 A135 I158 W167 I176 S178 L179Q52-L181 PolarHBondContact NE2-O 2.8Å; R123-L181 PolarHBondContact NH2-O 2.99Å; A135-L181 HydrophobicContact CB-CB 4.25Å; A135-L181 HydrophobicContact CB-CD2 4.41Å; I158-L181 HydrophobicContact CD1-CD1 4.35Å; W167-L181 HydrophobicContact CB-CD1 4.01Å; W167-L181 HydrophobicContact CD2-CD1 4.4Å; W167-L181 HydrophobicContact CE3-CB 3.88Å; W167-L181 HydrophobicContact CE3-CD1 3.73Å; W167-L181 HydrophobicContact CE3-CG 4.47Å; W167-L181 HydrophobicContact CZ3-CB 3.99Å; I176-L181 HydrophobicContact CB-CD1 4.26Å; I176-L181 HydrophobicContact CG2-CD1 4.14Å; I176-L181 HydrophobicContact CG2-CD2 4.36Å; I176-L181 HydrophobicContact CG2-CG 4.17Å; S178-L181 PolarHBondContact O-N 3.17Å; L179-L181 VanDerWaalsContact C-N 3.3Å; L179-L181 PolarHBondContact O-N 2.88Å
182D91Very high85.7Confident15 Ų1534.9 Ų34.98%0.0820%0.202CC..EExtended strand (participates in β ladder)trans-124.7131.5178.6-175.330000110.1G118 A135 R136 L138G118-D182 WeakPolarHBondContact CA-OD1 3.2Å; A135-D182 CarbonylContact C-O 3.6Å; A135-D182 WeakPolarHBondContact CA-O 3.34Å; R136-D182 IonicContact CZ-OD2 2.98Å; R136-D182 PolarHBondContact N-O 3.18Å; R136-D182 IonicContact NE-OD2 2.81Å; R136-D182 IonicContact NH2-OD2 3.43Å; R136-D182 PolarHBondContact NH2-OD2 2.96Å; R136-D182 PolarHBondContact O-N 3.04Å; L138-D182 HydrophobicContact CD2-CB 3.75Å; L138-D182 HydrophobicContact CG-CB 4.09Å
183V90.8Very high87.1Confident6 Ų631.8 Ų31.84%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-117.4144.6-169-178.10000109.7G118 S119 H122 I133 A135 I158 W167G118-V183 CarbonylContact C-O 3.51Å; S119-V183 WeakPolarHBondContact CB-O 3.35Å; S119-V183 PolarHBondContact N-O 3.17Å; H122-V183 VanDerWaalsContact CD2-CG1 3.47Å; H122-V183 WeakPolarHBondContact CD2-CG1 3.41Å; I133-V183 HydrophobicContact CB-CG1 4.42Å; I133-V183 HydrophobicContact CD1-CG1 3.92Å; I133-V183 HydrophobicContact CD1-CG2 4.01Å; A135-V183 HydrophobicContact CB-CG2 3.92Å; I158-V183 HydrophobicContact CD1-CG2 4.19Å; W167-V183 HydrophobicContact CH2-CG2 4.07Å; W167-V183 HydrophobicContact CZ3-CG2 3.59Å
184S87.7Confident88Confident50 Ų5035.2 Ų35.235%0.3518%0.182SC..BIsolated β-bridgetrans-62.1143.7173.61790000112.6S119 E186S119-S184 WeakPolarHBondContact CB-O 3.46Å; S184-E186 PolarHBondContact O-N 2.64Å; S184-E186 WeakPolarHBondContact OG-CG 3.43Å; S184-E186 PolarHBondContact OG-N 2.98Å
185T87.4Confident88.3Confident1 Ų141 Ų411%0.00620%0.202CC..THydrogen-bonded Turntrans-76.35.1178.653.80000114.5M59 L114 L117 F187 E189 K190M59-T185 HydrophobicContact CE-CG2 3.86Å; L114-T185 HydrophobicContact CD2-CG2 4.09Å; L114-T185 PolarHBondContact O-OG1 2.71Å; L117-T185 VanDerWaalsContact O-CG2 3.24Å; L117-T185 WeakPolarHBondContact O-CG2 3.41Å; T185-F187 PolarHBondContact O-N 3.42Å; T185-F187 VanDerWaalsContact O-N 3.14Å; T185-E189 HydrophobicContact CG2-CB 4.48Å; T185-K190 VanDerWaalsContact O-CB 3.27Å; T185-K190 WeakPolarHBondContact O-CB 3.37Å; T185-K190 WeakPolarHBondContact O-CG 3.38Å; T185-K190 PolarHBondContact O-N 3.16Å; T185-K190 WeakPolarHBondContact OG1-CE 3.39Å
186E83.3Confident88.5Confident126 Ų12639.9 Ų39.959%0.58919%0.191SC*.THydrogen-bonded Turntrans-56.6-28.7-175.2-82.9175.7-16100115.3S184 K190S184-E186 PolarHBondContact O-N 2.64Å; S184-E186 WeakPolarHBondContact OG-CG 3.43Å; S184-E186 PolarHBondContact OG-N 2.98Å; E186-K190 HydrophobicContact CG-CD 4.23Å
187F81.6Confident88.6Confident96 Ų9641.9 Ų41.942%0.42120%0.2SC..THydrogen-bonded Turntrans-87.5-80-175.8-67-85.5000112.6Y121 H122 I133 T185 L191Y121-F187 HydrophobicContact CD1-CB 4.34Å; Y121-F187 HydrophobicContact CE1-CB 4.48Å; H122-F187 AromaticContact CE1-CD2 3.87Å; H122-F187 AromaticContact CE1-CG 3.9Å; H122-F187 WeakPolarHBondContact NE2-CB 3.25Å; H122-F187 AromaticContact NE2-CD2 3.27Å; H122-F187 VanDerWaalsContact NE2-CD2 3.27Å; H122-F187 WeakPolarHBondContact NE2-CD2 3.35Å; H122-F187 AromaticContact NE2-CG 3.57Å; I133-F187 HydrophobicContact CG2-CD2 4.25Å; I133-F187 HydrophobicContact CG2-CE2 3.78Å; I133-F187 HydrophobicContact CG2-CZ 4.19Å; T185-F187 PolarHBondContact O-N 3.42Å; T185-F187 VanDerWaalsContact O-N 3.14Å; F187-L191 WeakPolarHBondContact O-CB 3.27Å; F187-L191 PolarHBondContact O-N 3.48Å
188G83.3Confident88.6Confident5 Ų546.1 Ų46.15%0.05222%0.215CC..Hα-helixtrans-71.6-62.1-170.500000112.5L191 I192G188-L191 PolarHBondContact O-N 2.68Å; G188-I192 WeakPolarHBondContact O-CG1 3.37Å; G188-I192 PolarHBondContact O-N 3.43Å; G188-I192 VanDerWaalsContact O-N 3.09Å
189E89.6Confident88.4Confident5 Ų549.9 Ų49.92%0.02323%0.229CC..Hα-helixtrans-65.9-53-169.2-61.781.9173.700111.8W14 M59 L114 S119 I120 Y121 T185 L191 I192 L193W14-E189 HydrophobicContact CZ3-CG 4.09Å; M59-E189 HydrophobicContact CE-CG 4.12Å; M59-E189 HydrophobicContact SD-CG 3.98Å; L114-E189 HydrophobicContact CD1-CB 4.06Å; L114-E189 HydrophobicContact CD2-CB 3.73Å; L114-E189 HydrophobicContact CD2-CG 4.29Å; S119-E189 WeakPolarHBondContact CA-OE1 3.34Å; S119-E189 PolarHBondContact OG-OE1 2.88Å; S119-E189 PolarHBondContact OG-OE2 2.85Å; I120-E189 WeakPolarHBondContact CG1-OE1 3.21Å; I120-E189 PolarHBondContact N-OE1 3.37Å; Y121-E189 WeakPolarHBondContact CB-OE1 3.47Å; Y121-E189 PolarHBondContact N-OE1 3.49Å; T185-E189 HydrophobicContact CG2-CB 4.48Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.19Å; E189-I192 PolarHBondContact O-N 3.19Å; E189-L193 PolarHBondContact O-N 2.96Å
190K89.2Confident88.3Confident22 Ų2249.6 Ų49.610%0.09623%0.227CC..Hα-helixtrans-65.7-32.1179-76.9-177.5172.5174.40112.5L114 D115 T185 E186 L193 K194L114-K190 HydrophobicContact CB-CG 4.08Å; L114-K190 HydrophobicContact CD1-CG 3.95Å; D115-K190 WeakPolarHBondContact OD1-CE 3.12Å; D115-K190 IonicContact OD1-NZ 3.98Å; D115-K190 PolarHBondContact OD1-NZ 2.9Å; T185-K190 VanDerWaalsContact O-CB 3.27Å; T185-K190 WeakPolarHBondContact O-CB 3.37Å; T185-K190 WeakPolarHBondContact O-CG 3.38Å; T185-K190 PolarHBondContact O-N 3.16Å; T185-K190 WeakPolarHBondContact OG1-CE 3.39Å; E186-K190 HydrophobicContact CG-CD 4.23Å; K190-L193 PolarHBondContact O-N 3.45Å; K190-K194 WeakPolarHBondContact O-CB 3.38Å; K190-K194 VanDerWaalsContact O-CG 3.25Å; K190-K194 WeakPolarHBondContact O-CG 3.5Å; K190-K194 PolarHBondContact O-N 3.19Å
191L88.5Confident88.1Confident82 Ų8251.9 Ų51.943%0.42924%0.238SC..Hα-helixtrans-68-41.9176.2-176.268.8000111.7F187 G188 E189 L193 K194 R195F187-L191 WeakPolarHBondContact O-CB 3.27Å; F187-L191 PolarHBondContact O-N 3.48Å; G188-L191 PolarHBondContact O-N 2.68Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.19Å; L191-L193 VanDerWaalsContact C-N 3.33Å; L191-K194 PolarHBondContact O-N 3.36Å; L191-R195 WeakPolarHBondContact O-CB 3.34Å; L191-R195 VanDerWaalsContact O-CG 3.3Å; L191-R195 WeakPolarHBondContact O-CG 3.25Å; L191-R195 PolarHBondContact O-N 2.9Å
192I88Confident87.8Confident71 Ų7156.7 Ų56.736%0.36426%0.261SS..Hα-helixtrans-60.4-47.5174-69169000109.5W14 I66 G188 E189 K194 R195 L196W14-I192 HydrophobicContact CH2-CD1 3.46Å; W14-I192 VanDerWaalsContact CH2-CD1 3.46Å; W14-I192 HydrophobicContact CZ2-CD1 3.65Å; W14-I192 HydrophobicContact CZ3-CD1 4.43Å; I66-I192 HydrophobicContact CG2-CG2 4.07Å; G188-I192 WeakPolarHBondContact O-CG1 3.37Å; G188-I192 PolarHBondContact O-N 3.43Å; G188-I192 VanDerWaalsContact O-N 3.09Å; E189-I192 PolarHBondContact O-N 3.19Å; I192-K194 PolarHBondContact O-N 3.29Å; I192-R195 PolarHBondContact O-N 3.27Å; I192-L196 PolarHBondContact O-N 3.48Å
193L90.2Very high87.6Confident0 Ų056.2 Ų56.20%026%0.258CS..Hα-helixtrans-61-46.5178.9-17864.3000112.2I66 L107 C110 D111 L114 E189 K190 L191 R195 L196 Q197I66-L193 HydrophobicContact CD1-CB 4.32Å; I66-L193 HydrophobicContact CD1-CD1 4.17Å; I66-L193 HydrophobicContact CG1-CD1 4.06Å; L107-L193 HydrophobicContact CD2-CD1 3.74Å; C110-L193 HydrophobicContact CB-CD1 4.05Å; C110-L193 HydrophobicContact CB-CD2 4.04Å; D111-L193 HydrophobicContact CB-CD2 3.62Å; D111-L193 VanDerWaalsContact N-CD2 3.3Å; L114-L193 HydrophobicContact CD1-CB 4.22Å; L114-L193 HydrophobicContact CD1-CD2 3.77Å; E189-L193 PolarHBondContact O-N 2.96Å; K190-L193 PolarHBondContact O-N 3.45Å; L191-L193 VanDerWaalsContact C-N 3.33Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 3.35Å; L193-L196 PolarHBondContact O-N 2.93Å; L193-Q197 HydrophobicContact CD1-CG 4.33Å; L193-Q197 HydrophobicContact CG-CG 4.35Å; L193-Q197 WeakPolarHBondContact O-CB 3.33Å; L193-Q197 WeakPolarHBondContact O-CG 3.35Å; L193-Q197 PolarHBondContact O-N 2.88Å
194K89.5Confident87.3Confident125 Ų12556 Ų5654%0.54326%0.257SS..Hα-helixtrans-60.9-38.8177.5-77.3176.6-179.8179.80112.4K190 L191 I192 K198K190-K194 WeakPolarHBondContact O-CB 3.38Å; K190-K194 VanDerWaalsContact O-CG 3.25Å; K190-K194 WeakPolarHBondContact O-CG 3.5Å; K190-K194 PolarHBondContact O-N 3.19Å; L191-K194 PolarHBondContact O-N 3.36Å; I192-K194 PolarHBondContact O-N 3.29Å; K194-K198 WeakPolarHBondContact O-CB 3.45Å; K194-K198 PolarHBondContact O-N 3.08Å
195R89.8Confident87.1Confident171 Ų17156.7 Ų56.765%0.64526%0.255SS*.Hα-helixtrans-64.4-44.8174.8-75175.6-179.7-174.20.1111.4L191 I192 L193 K198 R199L191-R195 WeakPolarHBondContact O-CB 3.34Å; L191-R195 VanDerWaalsContact O-CG 3.3Å; L191-R195 WeakPolarHBondContact O-CG 3.25Å; L191-R195 PolarHBondContact O-N 2.9Å; I192-R195 PolarHBondContact O-N 3.27Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 3.35Å; R195-K198 PolarHBondContact O-N 3.49Å; R195-R199 PolarHBondContact O-N 3.39Å
196L90.3Very high86.9Confident10 Ų1059.1 Ų59.15%0.05227%0.267CS..Hα-helixtrans-65-44.2177.5-17859.3000111.6I66 V69 M70 L73 L107 I192 L193 K198 R199 F200I66-L196 HydrophobicContact CB-CD2 4.47Å; I66-L196 HydrophobicContact CG2-CD2 3.76Å; I66-L196 WeakPolarHBondContact O-CD2 3.49Å; V69-L196 HydrophobicContact CB-CD2 4.21Å; V69-L196 HydrophobicContact CG1-CD2 4.15Å; V69-L196 HydrophobicContact CG1-CG 4.47Å; M70-L196 HydrophobicContact CB-CD1 4.05Å; M70-L196 HydrophobicContact CB-CD2 4.29Å; M70-L196 HydrophobicContact CG-CD1 4.36Å; L73-L196 HydrophobicContact CD2-CD1 4.01Å; L107-L196 HydrophobicContact CD2-CD2 3.6Å; L107-L196 HydrophobicContact CD2-CG 3.96Å; I192-L196 PolarHBondContact O-N 3.48Å; L193-L196 PolarHBondContact O-N 2.93Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.41Å; L196-R199 PolarHBondContact O-N 3.46Å; L196-F200 WeakPolarHBondContact O-CB 3.47Å; L196-F200 PolarHBondContact O-N 3.14Å
197Q89.3Confident86.9Confident42 Ų4253.1 Ų53.120%0.19624%0.239CC..Hα-helixtrans-57.5-46.7174.6-76.1175.5-10.900111.4L107 L193 R199 F200 E201L107-Q197 HydrophobicContact CB-CG 4.25Å; L107-Q197 HydrophobicContact CD1-CG 4.39Å; L107-Q197 PolarHBondContact O-NE2 3.15Å; L193-Q197 HydrophobicContact CD1-CG 4.33Å; L193-Q197 HydrophobicContact CG-CG 4.35Å; L193-Q197 WeakPolarHBondContact O-CB 3.33Å; L193-Q197 WeakPolarHBondContact O-CG 3.35Å; L193-Q197 PolarHBondContact O-N 2.88Å; Q197-R199 PolarHBondContact O-N 2.85Å; Q197-F200 PolarHBondContact O-N 3.1Å; Q197-E201 WeakPolarHBondContact O-CB 3.5Å; Q197-E201 WeakPolarHBondContact O-CG 3.39Å; Q197-E201 PolarHBondContact O-N 2.94Å
198K87.6Confident87Confident126 Ų12648.5 Ų48.555%0.54822%0.219SC..Hα-helixtrans-60.2-45.7176.6-173.6-174.8178-165.60111.9K194 R195 L196 F200 E201 E202K194-K198 WeakPolarHBondContact O-CB 3.45Å; K194-K198 PolarHBondContact O-N 3.08Å; R195-K198 PolarHBondContact O-N 3.49Å; L196-K198 VanDerWaalsContact C-N 3.35Å; L196-K198 PolarHBondContact O-N 3.41Å; K198-F200 VanDerWaalsContact C-N 3.32Å; K198-F200 PolarHBondContact O-N 2.9Å; K198-E201 WeakPolarHBondContact O-CB 3.27Å; K198-E201 PolarHBondContact O-N 3Å; K198-E202 WeakPolarHBondContact CE-OE1 2.85Å; K198-E202 IonicContact NZ-OE1 2.77Å; K198-E202 WeakPolarHBondContact O-CG 3.46Å; K198-E202 PolarHBondContact O-N 3.42Å
199R88.1Confident86.9Confident80 Ų8049.4 Ų49.430%0.30223%0.228SC..Hα-helixtrans-62.8-41177.5-168.5-174.6171.7-176.84.2111.5L73 D74 E77 R195 L196 Q197 E202 F203L73-R199 HydrophobicContact CD2-CB 4.17Å; L73-R199 HydrophobicContact CD2-CG 3.8Å; D74-R199 IonicContact OD1-CZ 2.6Å; D74-R199 IonicContact OD1-NH1 2.89Å; D74-R199 PolarHBondContact OD1-NH1 3.37Å; D74-R199 IonicContact OD1-NH2 3.26Å; D74-R199 PolarHBondContact OD1-NH2 3.44Å; E77-R199 IonicContact OE1-CZ 2.7Å; E77-R199 IonicContact OE1-NE 3.35Å; E77-R199 PolarHBondContact OE1-NE 3.44Å; E77-R199 IonicContact OE1-NH2 3.97Å; E77-R199 IonicContact OE2-CZ 3.46Å; E77-R199 IonicContact OE2-NE 3.88Å; E77-R199 PolarHBondContact OE2-NE 3.06Å; E77-R199 IonicContact OE2-NH2 3.24Å; E77-R199 PolarHBondContact OE2-NH2 2.99Å; R195-R199 PolarHBondContact O-N 3.39Å; L196-R199 PolarHBondContact O-N 3.46Å; Q197-R199 PolarHBondContact O-N 2.85Å; R199-E202 WeakPolarHBondContact O-CB 3.42Å; R199-E202 PolarHBondContact O-N 2.8Å; R199-F203 PolarHBondContact O-N 2.73Å
200F88.6Confident86.4Confident1 Ų152 Ų520%0.00424%0.238CC..Hα-helixtrans-64.7-40.9175.9-163-89.9000111.9V69 W72 L73 L100 H103 L104 L107 L196 Q197 K198 F203 L204V69-F200 HydrophobicContact CG1-CD2 4.17Å; V69-F200 HydrophobicContact CG1-CE2 4.31Å; W72-F200 HydrophobicContact CE3-CE2 4.36Å; W72-F200 AromaticContact CZ3-CE2 3.87Å; W72-F200 HydrophobicContact CZ3-CE2 3.87Å; L73-F200 HydrophobicContact CD1-CD2 4.15Å; L73-F200 HydrophobicContact CD2-CB 4.46Å; L73-F200 HydrophobicContact CD2-CD2 4.36Å; L100-F200 HydrophobicContact CD2-CE1 4.5Å; L100-F200 HydrophobicContact CD2-CE2 4.45Å; L100-F200 HydrophobicContact CD2-CZ 3.85Å; H103-F200 HydrophobicContact CB-CE2 3.85Å; H103-F200 HydrophobicContact CB-CZ 3.85Å; L104-F200 HydrophobicContact CB-CE1 4.04Å; L104-F200 HydrophobicContact CD1-CD1 4.31Å; L104-F200 HydrophobicContact CD1-CE1 4.22Å; L107-F200 HydrophobicContact CD1-CB 3.98Å; L107-F200 HydrophobicContact CD1-CD1 4.21Å; L107-F200 HydrophobicContact CD1-CD2 4.15Å; L107-F200 HydrophobicContact CD1-CG 3.86Å; L196-F200 WeakPolarHBondContact O-CB 3.47Å; L196-F200 PolarHBondContact O-N 3.14Å; Q197-F200 PolarHBondContact O-N 3.1Å; K198-F200 VanDerWaalsContact C-N 3.32Å; K198-F200 PolarHBondContact O-N 2.9Å; F200-F203 WeakPolarHBondContact O-CB 3.35Å; F200-F203 PolarHBondContact O-N 3.41Å; F200-L204 HydrophobicContact CD1-CD1 3.89Å; F200-L204 HydrophobicContact CD1-CG 4.17Å; F200-L204 HydrophobicContact CE1-CD1 3.84Å; F200-L204 HydrophobicContact CE1-CD2 4.39Å; F200-L204 HydrophobicContact CE1-CG 4.09Å; F200-L204 WeakPolarHBondContact O-CG 3.44Å; F200-L204 PolarHBondContact O-N 3Å
201E85Confident86Confident55 Ų5551 Ų5126%0.25723%0.234SC..Hα-helixtrans-60.5-44172.4-75.3179.5173.700111.5Q197 K198 F203 L204 I205 M314 K318Q197-E201 WeakPolarHBondContact O-CB 3.5Å; Q197-E201 WeakPolarHBondContact O-CG 3.39Å; Q197-E201 PolarHBondContact O-N 2.94Å; K198-E201 WeakPolarHBondContact O-CB 3.27Å; K198-E201 PolarHBondContact O-N 3Å; E201-F203 VanDerWaalsContact C-N 3.34Å; E201-F203 PolarHBondContact O-N 3.05Å; E201-L204 PolarHBondContact O-N 2.98Å; E201-I205 WeakPolarHBondContact O-CG1 3.24Å; E201-I205 PolarHBondContact O-N 3.28Å; E201-M314 HydrophobicContact CB-CE 3.86Å; E201-M314 HydrophobicContact CB-SD 3.92Å; E201-M314 HydrophobicContact CG-CE 4.27Å; E201-M314 HydrophobicContact CG-SD 3.87Å; E201-K318 IonicContact OE1-NZ 2.68Å; E201-K318 PolarHBondContact OE1-NZ 3.48Å; E201-K318 IonicContact OE2-NZ 3.99Å
202E85.3Confident85.7Confident102 Ų10249 Ų4948%0.47722%0.221SC..Hα-helixtrans-61.9-41.3175-72.8172.1-174.400111.8K198 R199 I205 M206K198-E202 WeakPolarHBondContact CE-OE1 2.85Å; K198-E202 IonicContact NZ-OE1 2.77Å; K198-E202 WeakPolarHBondContact O-CG 3.46Å; K198-E202 PolarHBondContact O-N 3.42Å; R199-E202 WeakPolarHBondContact O-CB 3.42Å; R199-E202 PolarHBondContact O-N 2.8Å; E202-I205 PolarHBondContact O-N 3.26Å; E202-M206 WeakPolarHBondContact O-CB 3.31Å; E202-M206 PolarHBondContact O-N 3.12Å
203F86.4Confident85.3Confident5 Ų553 Ų532%0.02223%0.231CC..Hα-helixtrans-62.2-44.5174.5-178.7-103.6000112W72 L73 T76 E77 A80 M89 F96 L100 R199 F200 E201 I205 M206 C207W72-F203 HydrophobicContact CH2-CE1 4.33Å; W72-F203 HydrophobicContact CZ3-CE1 4.4Å; L73-F203 HydrophobicContact CD1-CB 3.74Å; L73-F203 HydrophobicContact CD1-CD1 3.82Å; L73-F203 HydrophobicContact CD1-CD2 4.06Å; L73-F203 HydrophobicContact CD1-CG 3.58Å; T76-F203 HydrophobicContact CG2-CE1 3.99Å; T76-F203 HydrophobicContact CG2-CE2 4.14Å; T76-F203 HydrophobicContact CG2-CZ 3.41Å; T76-F203 VanDerWaalsContact CG2-CZ 3.41Å; E77-F203 HydrophobicContact CG-CD2 3.47Å; E77-F203 VanDerWaalsContact CG-CD2 3.47Å; E77-F203 HydrophobicContact CG-CE2 3.85Å; E77-F203 HydrophobicContact CG-CG 4.4Å; A80-F203 HydrophobicContact CB-CE2 4.23Å; M89-F203 HydrophobicContact CE-CZ 4.25Å; F96-F203 HydrophobicContact CE2-CE1 4.47Å; F96-F203 HydrophobicContact CZ-CE1 4.13Å; F96-F203 HydrophobicContact CZ-CZ 4.2Å; L100-F203 HydrophobicContact CD2-CD1 4.38Å; L100-F203 HydrophobicContact CD2-CE1 4.11Å; R199-F203 PolarHBondContact O-N 2.73Å; F200-F203 WeakPolarHBondContact O-CB 3.35Å; F200-F203 PolarHBondContact O-N 3.41Å; E201-F203 VanDerWaalsContact C-N 3.34Å; E201-F203 PolarHBondContact O-N 3.05Å; F203-I205 PolarHBondContact O-N 2.79Å; F203-M206 HydrophobicContact CD2-CE 3.44Å; F203-M206 VanDerWaalsContact CD2-CE 3.44Å; F203-M206 HydrophobicContact CE2-CE 3.32Å; F203-M206 HydrophobicContact CG-CE 4.41Å; F203-M206 HydrophobicContact CZ-CE 4.2Å; F203-M206 WeakPolarHBondContact O-CB 3.32Å; F203-M206 PolarHBondContact O-N 2.77Å; F203-C207 VanDerWaalsContact CE1-SG 3.6Å; F203-C207 WeakPolarHBondContact CZ-SG 3.29Å; F203-C207 WeakPolarHBondContact O-CB 3.38Å; F203-C207 PolarHBondContact O-N 3.03Å; F203-C207 PolarHBondContact O-SG 3.47Å
204L85.5Confident84.9Confident2 Ų254.9 Ų54.91%0.0124%0.24CC..Hα-helixtrans-61.6-42.8174.8-72.8175.2000112.1L100 F200 E201 M206 C207 H208 L374 M378L100-L204 HydrophobicContact CD2-CD2 3.9Å; F200-L204 HydrophobicContact CD1-CD1 3.89Å; F200-L204 HydrophobicContact CD1-CG 4.17Å; F200-L204 HydrophobicContact CE1-CD1 3.84Å; F200-L204 HydrophobicContact CE1-CD2 4.39Å; F200-L204 HydrophobicContact CE1-CG 4.09Å; F200-L204 WeakPolarHBondContact O-CG 3.44Å; F200-L204 PolarHBondContact O-N 3Å; E201-L204 PolarHBondContact O-N 2.98Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.23Å; L204-C207 PolarHBondContact O-N 3.44Å; L204-H208 VanDerWaalsContact O-CB 3.32Å; L204-H208 WeakPolarHBondContact O-CB 3.46Å; L204-H208 PolarHBondContact O-N 3.38Å; L204-L374 HydrophobicContact CD2-CD2 4.47Å; L204-M378 HydrophobicContact CD1-CG 4.33Å
205I83Confident84.6Confident63 Ų6348.9 Ų48.932%0.32321%0.214SC..Hα-helixtrans-59.1-45.9174.5-72.7164.9000110.5E201 E202 F203 H208 G209 P310 M314E201-I205 WeakPolarHBondContact O-CG1 3.24Å; E201-I205 PolarHBondContact O-N 3.28Å; E202-I205 PolarHBondContact O-N 3.26Å; F203-I205 PolarHBondContact O-N 2.79Å; I205-H208 PolarHBondContact O-N 3.47Å; I205-G209 PolarHBondContact O-N 2.99Å; I205-P310 HydrophobicContact CB-CG 4.39Å; I205-P310 HydrophobicContact CG1-CB 4.11Å; I205-P310 HydrophobicContact CG1-CG 4.3Å; I205-P310 HydrophobicContact CG2-CG 3.95Å; I205-M314 HydrophobicContact CD1-CE 3.34Å; I205-M314 HydrophobicContact CG1-CE 3.37Å
206M83.9Confident84.3Confident52 Ų5243.9 Ų43.926%0.25620%0.197SC..Hα-helixtrans-61.2-47.7179.2179.7-78.1-65.500110.7A80 E202 F203 L204 G209 R210A80-M206 HydrophobicContact CB-CE 3.99Å; E202-M206 WeakPolarHBondContact O-CB 3.31Å; E202-M206 PolarHBondContact O-N 3.12Å; F203-M206 HydrophobicContact CD2-CE 3.44Å; F203-M206 VanDerWaalsContact CD2-CE 3.44Å; F203-M206 HydrophobicContact CE2-CE 3.32Å; F203-M206 HydrophobicContact CG-CE 4.41Å; F203-M206 HydrophobicContact CZ-CE 4.2Å; F203-M206 WeakPolarHBondContact O-CB 3.32Å; F203-M206 PolarHBondContact O-N 2.77Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.23Å; M206-G209 PolarHBondContact O-N 2.92Å; M206-R210 WeakPolarHBondContact O-CB 3.35Å; M206-R210 WeakPolarHBondContact O-CG 3.49Å; M206-R210 PolarHBondContact O-N 2.85Å; M206-R210 WeakPolarHBondContact SD-CD 3.49Å; M206-R210 HydrophobicContact SD-CG 4.17Å; M206-R210 PolarHBondContact SD-NE 3.26Å
207C82.5Confident83.9Confident0 Ų046 Ų460%021%0.213CC..Hα-helixtrans-58.8-50.7176.8-77.50000111.4I86 F203 L204 G209 R210 A211 L374I86-C207 HydrophobicContact CD1-CB 4.06Å; I86-C207 WeakPolarHBondContact CD1-O 3.46Å; F203-C207 VanDerWaalsContact CE1-SG 3.6Å; F203-C207 WeakPolarHBondContact CZ-SG 3.29Å; F203-C207 WeakPolarHBondContact O-CB 3.38Å; F203-C207 PolarHBondContact O-N 3.03Å; F203-C207 PolarHBondContact O-SG 3.47Å; L204-C207 PolarHBondContact O-N 3.44Å; C207-G209 PolarHBondContact O-N 3.41Å; C207-R210 PolarHBondContact O-N 3.27Å; C207-A211 WeakPolarHBondContact O-CB 3.44Å; C207-A211 PolarHBondContact O-N 3.28Å; C207-L374 HydrophobicContact CB-CD1 4.33Å
208H82.9Confident83.5Confident0 Ų046.8 Ų46.80%021%0.214CC..Hα-helixtrans-58.4-48.6177.3-169.4-29.3000111.4L204 I205 R210 A211 R212 P310 L374 N375L204-H208 VanDerWaalsContact O-CB 3.32Å; L204-H208 WeakPolarHBondContact O-CB 3.46Å; L204-H208 PolarHBondContact O-N 3.38Å; I205-H208 PolarHBondContact O-N 3.47Å; H208-R210 PolarHBondContact O-N 3.45Å; H208-A211 PolarHBondContact O-N 2.89Å; H208-R212 PolarHBondContact CE1-NE 3.39Å; H208-R212 PolarHBondContact CE1-NH2 3.44Å; H208-R212 PolarHBondContact ND1-NE 3.42Å; H208-R212 PolarHBondContact NE2-NH2 2.99Å; H208-R212 PolarHBondContact O-N 3.14Å; H208-P310 HydrophobicContact CB-CB 3.97Å; H208-P310 HydrophobicContact CB-CG 4.4Å; H208-L374 HydrophobicContact CB-CD1 4.46Å; H208-N375 PolarHBondContact CD2-OD1 3.09Å; H208-N375 VanDerWaalsContact CD2-OD1 3.31Å; H208-N375 PolarHBondContact NE2-OD1 3.28Å
209G80.9Confident83.2Confident24 Ų2440.8 Ų40.825%0.24719%0.188CC..Hα-helixtrans-65.8-36.2-175.900000113.3I205 M206 C207 R213I205-G209 PolarHBondContact O-N 2.99Å; M206-G209 PolarHBondContact O-N 2.92Å; C207-G209 PolarHBondContact O-N 3.41Å; G209-R213 WeakPolarHBondContact O-CG 3.48Å; G209-R213 PolarHBondContact O-N 3.14Å; G209-R213 PolarHBondContact O-NE 2.84Å
210R79.8Confident82.8Confident59 Ų5938.3 Ų38.322%0.22318%0.182CC..Hα-helixtrans-69.4-45.4173.7-80.3-174.7-171.6-161.79.3111.8A80 I83 I86 M206 C207 H208 R212 R213 Q214A80-R210 PolarHBondContact O-NH1 3.4Å; I83-R210 PolarHBondContact O-NH1 2.82Å; I86-R210 HydrophobicContact CD1-CB 3.29Å; I86-R210 HydrophobicContact CD1-CG 4.3Å; I86-R210 HydrophobicContact CG1-CB 4.03Å; M206-R210 WeakPolarHBondContact O-CB 3.35Å; M206-R210 WeakPolarHBondContact O-CG 3.49Å; M206-R210 PolarHBondContact O-N 2.85Å; M206-R210 WeakPolarHBondContact SD-CD 3.49Å; M206-R210 HydrophobicContact SD-CG 4.17Å; M206-R210 PolarHBondContact SD-NE 3.26Å; C207-R210 PolarHBondContact O-N 3.27Å; H208-R210 PolarHBondContact O-N 3.45Å; R210-R212 VanDerWaalsContact C-N 3.34Å; R210-R212 PolarHBondContact O-N 3.43Å; R210-R213 VanDerWaalsContact CG-NH2 3.28Å; R210-R213 PolarHBondContact O-N 2.9Å; R210-Q214 WeakPolarHBondContact O-CG 3.43Å; R210-Q214 PolarHBondContact O-N 2.6Å
211A81.1Confident82.4Confident2 Ų244.6 Ų44.62%0.01721%0.209CC..Hα-helixtrans-60.1-44178.600000111.6I86 C207 H208 R213 Q214 L215 F370 I371I86-A211 HydrophobicContact CD1-CB 4.39Å; C207-A211 WeakPolarHBondContact O-CB 3.44Å; C207-A211 PolarHBondContact O-N 3.28Å; H208-A211 PolarHBondContact O-N 2.89Å; A211-R213 PolarHBondContact O-N 3.22Å; A211-Q214 PolarHBondContact O-N 3.44Å; A211-L215 WeakPolarHBondContact O-CB 3.23Å; A211-L215 PolarHBondContact O-N 3.22Å; A211-F370 HydrophobicContact CB-CD1 3.94Å; A211-F370 HydrophobicContact CB-CE1 3.95Å; A211-I371 HydrophobicContact CB-CD1 4.12Å; A211-I371 HydrophobicContact CB-CG1 3.68Å
212R82.3Confident82.1Confident40 Ų4043.1 Ų43.115%0.15120%0.202CC..Hα-helixtrans-56.4-47.7174-80.2-172.5-179.8164.129.5112.5H208 R210 Q214 F216 L304 L307 P308 I371H208-R212 PolarHBondContact CE1-NE 3.39Å; H208-R212 PolarHBondContact CE1-NH2 3.44Å; H208-R212 PolarHBondContact ND1-NE 3.42Å; H208-R212 PolarHBondContact NE2-NH2 2.99Å; H208-R212 PolarHBondContact O-N 3.14Å; R210-R212 VanDerWaalsContact C-N 3.34Å; R210-R212 PolarHBondContact O-N 3.43Å; R212-Q214 VanDerWaalsContact C-N 3.32Å; R212-Q214 PolarHBondContact O-N 2.86Å; R212-F216 VanDerWaalsContact O-CB 3.26Å; R212-F216 WeakPolarHBondContact O-CB 3Å; R212-F216 PolarHBondContact O-N 3.31Å; R212-L304 HydrophobicContact CG-CD2 4.31Å; R212-L307 PolarHBondContact NH1-O 2.8Å; R212-P308 VanDerWaalsContact CZ-O 3.23Å; R212-P308 PolarHBondContact NH1-O 3.21Å; R212-P308 PolarHBondContact NH2-O 3.31Å; R212-I371 HydrophobicContact CG-CD1 4.29Å
213R79Confident81.7Confident155 Ų15539.2 Ų39.259%0.58519%0.185SC*.Hα-helixtrans-62.6-40.5-179.4-76.7-177.2-72.2164.9-6111.9G209 R210 A211 S217G209-R213 WeakPolarHBondContact O-CG 3.48Å; G209-R213 PolarHBondContact O-N 3.14Å; G209-R213 PolarHBondContact O-NE 2.84Å; R210-R213 VanDerWaalsContact CG-NH2 3.28Å; R210-R213 PolarHBondContact O-N 2.9Å; A211-R213 PolarHBondContact O-N 3.22Å; R213-S217 WeakPolarHBondContact O-CB 3.39Å; R213-S217 PolarHBondContact O-N 3.1Å
214Q82.3Confident81Confident38 Ų3844.3 Ų44.318%0.17821%0.208CC..Hα-helixtrans-67.7-48.5-179.5-74.8175-11.400111.7L84 I86 R210 A211 R212 F216 S217 R218L84-Q214 PolarHBondContact O-NE2 3.21Å; I86-Q214 VanDerWaalsContact N-OE1 3.1Å; R210-Q214 WeakPolarHBondContact O-CG 3.43Å; R210-Q214 PolarHBondContact O-N 2.6Å; A211-Q214 PolarHBondContact O-N 3.44Å; R212-Q214 VanDerWaalsContact C-N 3.32Å; R212-Q214 PolarHBondContact O-N 2.86Å; Q214-F216 VanDerWaalsContact C-N 3.34Å; Q214-F216 PolarHBondContact O-N 3.03Å; Q214-S217 PolarHBondContact O-N 2.98Å; Q214-R218 WeakPolarHBondContact O-CB 3.24Å; Q214-R218 WeakPolarHBondContact O-CG 3.34Å; Q214-R218 PolarHBondContact O-N 2.9Å
215L83.4Confident79.9Confident0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-61.5-44.8177-175.255000111.3A211 S217 R218 I219 L300 W303 L304 I364 D367 A368 I371A211-L215 WeakPolarHBondContact O-CB 3.23Å; A211-L215 PolarHBondContact O-N 3.22Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.16Å; L215-R218 PolarHBondContact O-N 2.78Å; L215-I219 HydrophobicContact CD1-CD1 3.84Å; L215-I219 HydrophobicContact CD1-CG1 4.02Å; L215-I219 HydrophobicContact CD2-CD1 4.45Å; L215-I219 HydrophobicContact CG-CD1 3.7Å; L215-I219 HydrophobicContact CG-CG1 4.35Å; L215-I219 WeakPolarHBondContact O-CB 3.47Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.25Å; L215-I219 PolarHBondContact O-N 3.47Å; L215-L300 HydrophobicContact CD1-CD2 4.22Å; L215-L300 HydrophobicContact CD2-CD2 4.43Å; L215-W303 HydrophobicContact CD2-CZ3 4.39Å; L215-L304 HydrophobicContact CB-CD1 4.25Å; L215-L304 HydrophobicContact CD2-CD1 3.79Å; L215-L304 HydrophobicContact CD2-CD2 3.92Å; L215-L304 HydrophobicContact CD2-CG 4.24Å; L215-L304 HydrophobicContact CG-CD1 3.74Å; L215-I364 HydrophobicContact CD1-CB 4.15Å; L215-I364 HydrophobicContact CD1-CG1 4.12Å; L215-I364 HydrophobicContact CD1-CG2 3.82Å; L215-D367 HydrophobicContact CB-CB 4.13Å; L215-D367 HydrophobicContact CD1-CB 3.86Å; L215-D367 HydrophobicContact CD2-CB 4.4Å; L215-D367 HydrophobicContact CG-CB 4.33Å; L215-A368 HydrophobicContact CD2-CB 3.92Å; L215-I371 HydrophobicContact CB-CD1 4.19Å; L215-I371 HydrophobicContact CD2-CD1 3.72Å
216F83.7Confident78.3Confident66 Ų6647.5 Ų47.529%0.28923%0.23SC..Hα-helixtrans-59.2-44.7176.5-174.7-94000112.2R212 Q214 T220 R301 H305R212-F216 VanDerWaalsContact O-CB 3.26Å; R212-F216 WeakPolarHBondContact O-CB 3Å; R212-F216 PolarHBondContact O-N 3.31Å; Q214-F216 VanDerWaalsContact C-N 3.34Å; Q214-F216 PolarHBondContact O-N 3.03Å; F216-T220 VanDerWaalsContact O-CB 3.23Å; F216-T220 WeakPolarHBondContact O-CB 3.42Å; F216-T220 PolarHBondContact O-N 3.32Å; F216-T220 PolarHBondContact O-OG1 3.16Å; F216-R301 HydrophobicContact CE2-CG 4.19Å; F216-H305 AromaticContact CE2-CE1 3.66Å; F216-H305 AromaticContact CE2-NE2 3.49Å; F216-H305 WeakPolarHBondContact CE2-NE2 3.4Å
217S81.3Confident76.5Confident54 Ų5450.8 Ų50.838%0.37824%0.243SC..Hα-helixtrans-62.6-45.3177.1-177.20000111.9R213 Q214 L215 T220 K221R213-S217 WeakPolarHBondContact O-CB 3.39Å; R213-S217 PolarHBondContact O-N 3.1Å; Q214-S217 PolarHBondContact O-N 2.98Å; L215-S217 VanDerWaalsContact C-N 3.35Å; L215-S217 PolarHBondContact O-N 3.16Å; S217-T220 PolarHBondContact O-N 3.05Å; S217-K221 WeakPolarHBondContact O-CG 3.34Å; S217-K221 PolarHBondContact O-N 3.48Å
218R81.2Confident74.2Confident58 Ų5860.8 Ų60.822%0.21928%0.281CS..Hα-helixtrans-63.1-47.9178.3-73.1175.5177.2-177.6-4112Q214 L215 T220 K221 L222 I364 D367Q214-R218 WeakPolarHBondContact O-CB 3.24Å; Q214-R218 WeakPolarHBondContact O-CG 3.34Å; Q214-R218 PolarHBondContact O-N 2.9Å; L215-R218 PolarHBondContact O-N 2.78Å; R218-T220 VanDerWaalsContact C-N 3.33Å; R218-T220 PolarHBondContact O-N 3.15Å; R218-K221 PolarHBondContact O-N 3.35Å; R218-L222 PolarHBondContact O-N 2.89Å; R218-L222 VanDerWaalsContact O-N 3.17Å; R218-I364 HydrophobicContact CB-CD1 4.18Å; R218-I364 HydrophobicContact CB-CG1 3.91Å; R218-D367 WeakPolarHBondContact CD-OD2 3.21Å; R218-D367 IonicContact CZ-OD2 3.61Å; R218-D367 IonicContact NE-OD2 3.68Å; R218-D367 VanDerWaalsContact NH1-CG 3.29Å; R218-D367 IonicContact NH1-OD1 4Å; R218-D367 PolarHBondContact NH1-OD1 3.3Å; R218-D367 IonicContact NH1-OD2 2.7Å; R218-D367 PolarHBondContact NH1-OD2 2.97Å
219I81.6Confident71.7Confident0 Ų071.1 Ų71.10%032%0.321CS..Hα-helixtrans-59.6-45.8176.1-66.5164.7000110.5L215 K221 L222 L223 L297 L300 R301 L304 I364L215-I219 HydrophobicContact CD1-CD1 3.84Å; L215-I219 HydrophobicContact CD1-CG1 4.02Å; L215-I219 HydrophobicContact CD2-CD1 4.45Å; L215-I219 HydrophobicContact CG-CD1 3.7Å; L215-I219 HydrophobicContact CG-CG1 4.35Å; L215-I219 WeakPolarHBondContact O-CB 3.47Å; L215-I219 VanDerWaalsContact O-CG1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.25Å; L215-I219 PolarHBondContact O-N 3.47Å; I219-K221 PolarHBondContact O-N 2.92Å; I219-L222 PolarHBondContact O-N 3.48Å; I219-L223 HydrophobicContact CG2-CD1 3.69Å; I219-L223 HydrophobicContact CG2-CG 4.22Å; I219-L223 WeakPolarHBondContact O-CB 3.28Å; I219-L223 WeakPolarHBondContact O-CG 3.37Å; I219-L223 PolarHBondContact O-N 3.22Å; I219-L297 HydrophobicContact CG1-CD2 4.33Å; I219-L297 HydrophobicContact CG2-CB 4.32Å; I219-L300 HydrophobicContact CD1-CB 4.34Å; I219-L300 HydrophobicContact CD1-CD2 3.55Å; I219-L300 HydrophobicContact CD1-CG 3.76Å; I219-L300 HydrophobicContact CG1-CD2 4.12Å; I219-R301 HydrophobicContact CG2-CB 4.16Å; I219-L304 HydrophobicContact CD1-CD1 3.58Å; I219-I364 HydrophobicContact CG1-CD1 4.37Å; I219-I364 HydrophobicContact CG1-CG2 4.44Å
220T79.8Confident69.3Low29 Ų2974.2 Ų74.218%0.17834%0.339CS..Hα-helixtrans-62.9-45-178.5-60.10000111.2F216 S217 R218 L222 L223 H224F216-T220 VanDerWaalsContact O-CB 3.23Å; F216-T220 WeakPolarHBondContact O-CB 3.42Å; F216-T220 PolarHBondContact O-N 3.32Å; F216-T220 PolarHBondContact O-OG1 3.16Å; S217-T220 PolarHBondContact O-N 3.05Å; R218-T220 VanDerWaalsContact C-N 3.33Å; R218-T220 PolarHBondContact O-N 3.15Å; T220-L222 PolarHBondContact O-N 2.86Å; T220-L223 PolarHBondContact O-N 2.99Å; T220-H224 VanDerWaalsContact CG2-CD2 3.5Å; T220-H224 WeakPolarHBondContact CG2-CD2 3.43Å; T220-H224 PolarHBondContact O-CD2 2.77Å; T220-H224 PolarHBondContact O-N 2.7Å
221K80.3Confident66.9Low133 Ų13376.8 Ų76.858%0.57836%0.362SS*.Hα-helixtrans-57.8-45.4176.2-74.4178.1-177.9-172.50112.4S217 R218 I219 H224 N225S217-K221 WeakPolarHBondContact O-CG 3.34Å; S217-K221 PolarHBondContact O-N 3.48Å; R218-K221 PolarHBondContact O-N 3.35Å; I219-K221 PolarHBondContact O-N 2.92Å; K221-H224 PolarHBondContact O-N 3.4Å; K221-N225 WeakPolarHBondContact O-CB 3.17Å; K221-N225 VanDerWaalsContact O-CG 3.25Å; K221-N225 PolarHBondContact O-N 3.46Å
222L77.3Confident64.2Low23 Ų2384.5 Ų84.512%0.1240%0.402CS..Hα-helixtrans-66.2-42.5177.8-78.5176.9000113R218 I219 T220 H224 N225 S226 L297 L361 I364R218-L222 PolarHBondContact O-N 2.89Å; R218-L222 VanDerWaalsContact O-N 3.17Å; I219-L222 PolarHBondContact O-N 3.48Å; T220-L222 PolarHBondContact O-N 2.86Å; L222-H224 VanDerWaalsContact C-N 3.27Å; L222-H224 PolarHBondContact O-N 2.91Å; L222-N225 PolarHBondContact O-N 3.25Å; L222-S226 PolarHBondContact O-N 3.24Å; L222-S226 VanDerWaalsContact O-N 3.08Å; L222-S226 PolarHBondContact O-OG 3.49Å; L222-L297 HydrophobicContact CB-CD1 4.13Å; L222-L297 HydrophobicContact CD1-CD1 4.3Å; L222-L361 HydrophobicContact CD1-CD2 4.15Å; L222-I364 HydrophobicContact CD1-CD1 3.23Å; L222-I364 HydrophobicContact CG-CD1 4.4Å
223L76.9Confident61.6Low20 Ų2088.1 Ų88.111%0.10543%0.43CS..Hα-helixtrans-65.8-29.6176.9-71.3175.9000112.5I219 T220 S226 R294 L297I219-L223 HydrophobicContact CG2-CD1 3.69Å; I219-L223 HydrophobicContact CG2-CG 4.22Å; I219-L223 WeakPolarHBondContact O-CB 3.28Å; I219-L223 WeakPolarHBondContact O-CG 3.37Å; I219-L223 PolarHBondContact O-N 3.22Å; T220-L223 PolarHBondContact O-N 2.99Å; L223-S226 PolarHBondContact O-OG 2.68Å; L223-R294 HydrophobicContact CD2-CG 4.02Å; L223-L297 HydrophobicContact CD2-CB 3.96Å; L223-L297 HydrophobicContact CD2-CD1 4.28Å; L223-L297 HydrophobicContact CG-CB 4.34Å
224H72.6Confident59.2Low112 Ų11285.5 Ų85.552%0.51944%0.442SS..Hα-helixtrans-77.8-40.7173.5-82.6-74.1000112.7T220 K221 L222 S226 K227T220-H224 VanDerWaalsContact CG2-CD2 3.5Å; T220-H224 WeakPolarHBondContact CG2-CD2 3.43Å; T220-H224 PolarHBondContact O-CD2 2.77Å; T220-H224 PolarHBondContact O-N 2.7Å; K221-H224 PolarHBondContact O-N 3.4Å; L222-H224 VanDerWaalsContact C-N 3.27Å; L222-H224 PolarHBondContact O-N 2.91Å; H224-S226 VanDerWaalsContact C-N 3.3Å; H224-S226 PolarHBondContact O-N 3.02Å; H224-K227 WeakPolarHBondContact O-CB 3.44Å; H224-K227 PolarHBondContact O-N 2.81Å; H224-K227 VanDerWaalsContact O-N 3.14Å
225N61.7Low56.5Low84 Ų8491.8 Ų91.845%0.44947%0.473SS..Hα-helixtrans-64.8-34.9179.2-72-8.6000112.2K221 L222 K227 R228K221-N225 WeakPolarHBondContact O-CB 3.17Å; K221-N225 VanDerWaalsContact O-CG 3.25Å; K221-N225 PolarHBondContact O-N 3.46Å; L222-N225 PolarHBondContact O-N 3.25Å; N225-K227 PolarHBondContact O-N 3.29Å; N225-R228 PolarHBondContact O-N 3.41Å; N225-R228 VanDerWaalsContact O-N 3.09Å
226S50.2Low54Low49 Ų49102 Ų10234%0.34352%0.518SS..THydrogen-bonded Turntrans-65.1-16.517559.60000114.6L222 L223 H224L222-S226 PolarHBondContact O-N 3.24Å; L222-S226 VanDerWaalsContact O-N 3.08Å; L222-S226 PolarHBondContact O-OG 3.49Å; L223-S226 PolarHBondContact O-OG 2.68Å; H224-S226 VanDerWaalsContact C-N 3.3Å; H224-S226 PolarHBondContact O-N 3.02Å
227K46.2Very low51.4Low121 Ų121108.1 Ų108.153%0.52654%0.544SS..THydrogen-bonded Turntrans-78.3-17.6172.6-70.6-173.7176.5-174.10113.6H224 N225H224-K227 WeakPolarHBondContact O-CB 3.44Å; H224-K227 PolarHBondContact O-N 2.81Å; H224-K227 VanDerWaalsContact O-N 3.14Å; N225-K227 PolarHBondContact O-N 3.29Å
228R33.8Very low49.1Very low210 Ų210110.7 Ų110.779%0.79256%0.56SS**THydrogen-bonded Turntrans-84.4-13.2-178.6-76.2-171.7179.3177.4-0.3114.2N225N225-R228 PolarHBondContact O-N 3.41Å; N225-R228 VanDerWaalsContact O-N 3.09Å
229Y29.8Very low46.7Very low217 Ų217112.7 Ų112.785%0.85158%0.583SS**THydrogen-bonded Turntrans-95.57.4177.6-69-76.8000113.9
230S30.6Very low44.4Very low89 Ų89119.6 Ų119.662%0.62262%0.62SS**SBendtrans-123.821-176.672.80000114.6
231T28.8Very low42.2Very low113 Ų113123.5 Ų123.569%0.69365%0.648SS**  trans-120.479.9176.2530000110.9
232L25.9Very low40Very low164 Ų164122.5 Ų122.586%0.85966%0.655SS**  trans-76.8143.6148-84.5161.3000108.2A234L232-A234 PolarHBondContact O-N 3.28Å
233P26.3Very low37.6Very low116 Ų116127.6 Ų127.675%0.75369%0.687SS**  trans-81.3108.9-159.631-32.4000111.6M235P233-M235 PolarHBondContact O-N 3.32Å
234A29.6Very low35.4Very low100 Ų100131.7 Ų131.783%0.82672%0.717SS**  trans-7899.3161.100000108.4L232 F236L232-A234 PolarHBondContact O-N 3.28Å; A234-F236 PolarHBondContact O-N 2.9Å
235M24.7Very low33.3Very low169 Ų169131 Ų13183%0.83373%0.726SS**  trans-46.4114.1155.6-78.2168.157.100108.6P233P233-M235 PolarHBondContact O-N 3.32Å
236F31.1Very low31.8Very low214 Ų214132.8 Ų132.894%0.93974%0.744SS**  trans-172.4104.4142.2-88.8-66.3000107.5A234A234-F236 PolarHBondContact O-N 2.9Å
237K29.4Very low30.9Very low195 Ų195134 Ų13485%0.84876%0.757SS**  trans-99.3170.8162-112.6-173.8-179.5-178.70106.6
238P33.9Very low30.1Very low108 Ų108135.6 Ų135.670%0.70177%0.77SS**  cis-143.4-161.3-11.933.7-9.8000113.4
239S31.3Very low29.7Very low101 Ų101131.7 Ų131.771%0.70677%0.774SS**  trans95.5125.216676.40000115.4
240D33.3Very low29.7Very low145 Ų145124.4 Ų124.478%0.77577%0.765SS**  cis-155.8135.56.4-94-29.5000112.4
241S32.8Very low29.5Very low111 Ų111128.5 Ų128.578%0.77678%0.779SS**  trans74.4158.1138.591.40000120
242P33.2Very low29.7Very low111 Ų111132.3 Ų132.372%0.72178%0.782SS**  -142.1176.5-104.639.5-16.6000116.4
243V28.5Very low30Very low130 Ų130131.2 Ų131.279%0.78877%0.77SS**  trans66.4109.6154-162.20000120.7
244S30.3Very low30.1Very low106 Ų106131.6 Ų131.674%0.74177%0.773SS**  177.699.9116.752.50000108.6
245S28.9Very low30.1Very low99 Ų99138.8 Ų138.869%0.69278%0.779SS**  67.498.989.169.90000115.1
246S29.2Very low30.3Very low121 Ų121135.9 Ų135.985%0.84678%0.775SS**  trans71152.8144.788.90000116.3
247A31.1Very low30.3Very low73 Ų73132 Ų13260%0.60377%0.771SS**  cis-172.3149.8-1000000105.8
248L29.8Very low30.5Very low155 Ų155128.8 Ų128.881%0.81276%0.764SS**  trans59124.4138.6-64.4163.5000120
249C25.9Very low30.3Very low129 Ų129129.9 Ų129.987%0.87277%0.771SS**  trans68.8149.4138.8-68.30000117
250G28.5Very low30.2Very low64 Ų64128.9 Ų128.966%0.6677%0.768SS**  cis-179.91416.900000106.9Y252G250-Y252 PolarHBondContact O-N 3.48Å
251L27.4Very low30.2Very low174 Ų174131.5 Ų131.591%0.91177%0.773SS**  trans-63112.8166.6-72.7152.4000107.6
252Y31.9Very low30.1Very low193 Ų193136.7 Ų136.776%0.75778%0.775SS**  trans-137.1113.9174.8-134.8-94.5000115.4G250G250-Y252 PolarHBondContact O-N 3.48Å
253F32.6Very low30Very low141 Ų141143.2 Ų143.262%0.61879%0.786SS**  trans49.1139.3137.3-62.9-115.2000122.5R255F253-R255 PolarHBondContact O-N 3.23Å
254P28.7Very low30Very low124 Ų124147.5 Ų147.581%0.80579%0.788SS**SBendtrans-81.6110.4165.233-26.1000109.5
255R29.5Very low30.1Very low251 Ų251147.6 Ų147.695%0.94779%0.786SS**  trans-171.778.1147.9-97.8-180-159.9-153.35.4107.5F253F253-R255 PolarHBondContact O-N 3.23Å
256S28.4Very low30.3Very low108 Ų108148.5 Ų148.576%0.75579%0.792SS**  trans-151.6125.3160.5-172.40000109.8D258S256-D258 PolarHBondContact O-N 2.92Å
257P31.8Very low30.3Very low132 Ų132150 Ų15086%0.85779%0.791SS**  trans-98.258.4-170.639.7-34.4000112.2
258D33.9Very low30.3Very low129 Ų129152.7 Ų152.769%0.6980%0.795SS**  trans-144.2107171.2-153.3-11.7000112.4S256 A260S256-D258 PolarHBondContact O-N 2.92Å; D258-A260 PolarHBondContact O-N 3.29Å
259P29.5Very low30.4Very low131 Ų131149.7 Ų149.785%0.85179%0.793SS**  trans-88.110.5-16734.1-34.3000115
260A29.7Very low30.7Very low79 Ų79152.6 Ų152.665%0.65379%0.79SS**  trans-99.114.4-161.100000117.6D258D258-A260 PolarHBondContact O-N 3.29Å
261K31.8Very low30.9Very low200 Ų200156.9 Ų156.987%0.8780%0.796SS**SBendtrans-131.391178.4-70.5-174.6-177.6173.10114.9
262R31.4Very low30.9Very low221 Ų221158 Ų15883%0.83480%0.795SS**  trans6898.8140.7-71.3-178.2176.5-174.3-0.8119
263W30.5Very low30.7Very low248 Ų248153.7 Ų153.794%0.93979%0.793SS**  trans-70.2134.4145.5-7276.3000110.8
264R29.3Very low30.5Very low219 Ų219158.8 Ų158.883%0.82681%0.808SS**  trans-124.4123.9149.2-76.3-165.6-177.8-172.22.3107.9
265P32.9Very low30.6Very low108 Ų108161.5 Ų161.570%0.70181%0.81SS**  trans-76.7125.8175.129.2-28.3000109.1N267P265-N267 PolarHBondContact O-N 2.8Å
266S32.2Very low30.9Very low118 Ų118152.8 Ų152.883%0.82579%0.785SS**  trans-76.266.7168.5570000110N268S266-N268 PolarHBondContact O-N 2.99Å; S266-N268 VanDerWaalsContact O-N 3.11Å
267N29.3Very low31.2Very low153 Ų153151.6 Ų151.682%0.81878%0.782SS**  trans-75.880.1157-94.2-1.5000107.3P265P265-N267 PolarHBondContact O-N 2.8Å
268N31.7Very low31.7Very low130 Ų130153.8 Ų153.870%0.69577%0.774SS**  trans-10594.6165.2-125.5-6.4000108S266 K270S266-N268 PolarHBondContact O-N 2.99Å; S266-N268 VanDerWaalsContact O-N 3.11Å; N268-K270 PolarHBondContact O-N 3.43Å
269A31.8Very low32.1Very low92 Ų92150 Ų15076%0.7675%0.754SS**THydrogen-bonded Turntrans-6924.7-176.400000114.5
270K32.8Very low32.7Very low190 Ų190150.3 Ų150.383%0.82675%0.748SS**THydrogen-bonded Turntrans-117.313.8-177-74.8-172.2175.6-178.40114.7N268N268-K270 PolarHBondContact O-N 3.43Å
271I32Very low33.5Very low153 Ų153150 Ų15079%0.78573%0.731SS**SBendtrans-119.425.4174.5-42.2179.9000111.2
272F27.2Very low34.1Very low199 Ų199149.3 Ų149.387%0.87373%0.731SS**  trans-105.968169.1-85.2-83.3000109.8
273S27.4Very low34.9Very low102 Ų102140.6 Ų140.671%0.71370%0.704SS**  trans-165.494.1165.447.50000110.6
274R28Very low36Very low248 Ų248133.8 Ų133.894%0.93669%0.692SS**  trans144.577.4158.5-80.8172.5-174.3-148.62.3108.1
275Q31.7Very low37.1Very low181 Ų181131 Ų13185%0.84669%0.688SS**PPolyproline II helixtrans-61.9129155.6-78.1-174.8-22.800107.1A277Q275-A277 PolarHBondContact O-N 3.32Å
276P35.8Very low38Very low68 Ų68130.1 Ų130.144%0.44267%0.674SS.*PPolyproline II helixtrans-62.9126.6165-11.726.2000107.4I295 R299P276-I295 HydrophobicContact CB-CG2 4.27Å; P276-R299 HydrophobicContact CG-CG 4.35Å
277A35.5Very low38.9Very low83 Ų83124.9 Ų124.969%0.68664%0.638SS**PPolyproline II helixtrans-51.6152.8172.300000110.6Q275 L279Q275-A277 PolarHBondContact O-N 3.32Å; A277-L279 PolarHBondContact O-N 3.46Å; A277-L279 VanDerWaalsContact O-N 3.15Å
278Y40.7Very low40.1Very low177 Ų177120.7 Ų120.769%0.69462%0.616SS**PPolyproline II helixtrans-46.5123.3170.9-79.5-91.6000109D280Y278-D280 VanDerWaalsContact C-N 3.35Å; Y278-D280 PolarHBondContact O-N 3.09Å; Y278-D280 VanDerWaalsContact O-N 3.15Å
279L43.3Very low41.4Very low51 Ų51119 Ų11927%0.26761%0.606SS.*  trans-80.692.4170.5-93.3131.5000107.1A277 Y281 I295A277-L279 PolarHBondContact O-N 3.46Å; A277-L279 VanDerWaalsContact O-N 3.15Å; L279-Y281 HydrophobicContact CB-CD2 4.32Å; L279-Y281 HydrophobicContact CB-CE1 4.1Å; L279-Y281 HydrophobicContact CB-CE2 3.67Å; L279-Y281 HydrophobicContact CD2-CD1 3.97Å; L279-Y281 HydrophobicContact CD2-CE1 3.19Å; L279-Y281 HydrophobicContact CD2-CE2 4.36Å; L279-Y281 VanDerWaalsContact CD2-CZ 3.43Å; L279-Y281 WeakPolarHBondContact CD2-OH 3.34Å; L279-Y281 HydrophobicContact CG-CE1 4.17Å; L279-I295 HydrophobicContact CD1-CB 4.46Å; L279-I295 HydrophobicContact CD1-CD1 4.47Å; L279-I295 HydrophobicContact CD1-CG2 3.76Å
280D41.9Very low42.9Very low136 Ų136119.5 Ų119.573%0.72760%0.602SS**  trans-77.4110.9155.6-74.8-33.4000106.6Y278Y278-D280 VanDerWaalsContact C-N 3.35Å; Y278-D280 PolarHBondContact O-N 3.09Å; Y278-D280 VanDerWaalsContact O-N 3.15Å
281Y46.8Very low44.6Very low74 Ų74116.8 Ų116.829%0.2959%0.591SS.*  trans-90.6109172.1-56.4-81.9000107.2L279 A287 T292L279-Y281 HydrophobicContact CB-CD2 4.32Å; L279-Y281 HydrophobicContact CB-CE1 4.1Å; L279-Y281 HydrophobicContact CB-CE2 3.67Å; L279-Y281 HydrophobicContact CD2-CD1 3.97Å; L279-Y281 HydrophobicContact CD2-CE1 3.19Å; L279-Y281 HydrophobicContact CD2-CE2 4.36Å; L279-Y281 VanDerWaalsContact CD2-CZ 3.43Å; L279-Y281 WeakPolarHBondContact CD2-OH 3.34Å; L279-Y281 HydrophobicContact CG-CE1 4.17Å; Y281-A287 HydrophobicContact CD1-CB 4.34Å; Y281-T292 HydrophobicContact CD1-CG2 4.46Å; Y281-T292 HydrophobicContact CE1-CG2 3.31Å; Y281-T292 VanDerWaalsContact OH-CG2 3.26Å; Y281-T292 WeakPolarHBondContact OH-CG2 3.42Å
282E44.9Very low46.3Very low184 Ų184109.9 Ų109.986%0.8656%0.557SS**  trans-84.5-15.3175.1-67.4-169.3163.600111.6
283S48.2Very low48.3Very low38 Ų38102 Ų10227%0.26652%0.523SS..SBendtrans-142149.1-178.374.30000115.6Q285 E286S283-Q285 PolarHBondContact O-N 3.31Å; S283-E286 PolarHBondContact O-N 3.34Å; S283-E286 WeakPolarHBondContact OG-CG 3.44Å
284P53Low50.5Low106 Ų106102.5 Ų102.569%0.68851%0.51SS*.THydrogen-bonded Turntrans-61.9-23.6176.3-20.731.2000114.2L288P284-L288 WeakPolarHBondContact O-CD1 2.96Å
285Q51.7Low52.8Low160 Ų16092.5 Ų92.575%0.74847%0.474SS*.THydrogen-bonded Turntrans-73.9-36.8-177.9-67.1174.2-500111.6S283 A287 L288S283-Q285 PolarHBondContact O-N 3.31Å; Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.19Å; Q285-L288 PolarHBondContact O-N 2.87Å
286E51.4Low54.8Low89 Ų8984.2 Ų84.242%0.41644%0.436SS..G310 helixtrans-68.7-32.2175.2-71.3173.316000112.6S283 L288 L289 T292S283-E286 PolarHBondContact O-N 3.34Å; S283-E286 WeakPolarHBondContact OG-CG 3.44Å; E286-L288 PolarHBondContact O-N 2.58Å; E286-L289 PolarHBondContact O-N 3.41Å; E286-T292 PolarHBondContact O-OG1 3.3Å
287A52.1Low56.8Low8 Ų881.4 Ų81.47%0.06642%0.417CS..G310 helixtrans-67.1-21.5178.800000113.2Y281 Q285 W347 T351Y281-A287 HydrophobicContact CD1-CB 4.34Å; Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.19Å; A287-W347 PolarHBondContact O-NE1 3.17Å; A287-T351 HydrophobicContact CB-CG2 3.73Å
288L55Low58.8Low66 Ų6680.2 Ų80.235%0.34640%0.401SS..G310 helixtrans-90.7-9.7-177.9-77.8159.7000113.9P284 Q285 E286 T354 V355P284-L288 WeakPolarHBondContact O-CD1 2.96Å; Q285-L288 PolarHBondContact O-N 2.87Å; E286-L288 PolarHBondContact O-N 2.58Å; L288-T354 VanDerWaalsContact CD2-OG1 3.25Å; L288-T354 WeakPolarHBondContact CD2-OG1 3.44Å; L288-V355 HydrophobicContact CD2-CG2 3.97Å
289L58.2Low60.5Low93 Ų9374 Ų7449%0.48738%0.376SS..  trans-64.2133.7-178.9-73162.5000110.9E286 H291 T292 I293E286-L289 PolarHBondContact O-N 3.41Å; L289-H291 PolarHBondContact O-N 2.68Å; L289-T292 VanDerWaalsContact O-CB 3.27Å; L289-T292 WeakPolarHBondContact O-CB 3.42Å; L289-T292 PolarHBondContact O-N 2.9Å; L289-I293 PolarHBondContact O-N 3.45Å
290P62.6Low62.3Low104 Ų10471.6 Ų71.668%0.67536%0.364SS*.Hα-helixtrans-54.4-28.1175.2-27.334.1000113.5R294P290-R294 WeakPolarHBondContact O-CB 3.33Å; P290-R294 PolarHBondContact O-N 3.01Å
291H68.7Low64.1Low132 Ų13269.1 Ų69.161%0.61134%0.344SS*.Hα-helixtrans-64.9-43.6175.2-165.370.1000112.2L289 R294 I295L289-H291 PolarHBondContact O-N 2.68Å; H291-R294 WeakPolarHBondContact O-CB 3.15Å; H291-R294 PolarHBondContact O-N 3.12Å; H291-I295 VanDerWaalsContact CD2-CD1 3.42Å; H291-I295 WeakPolarHBondContact CD2-CD1 3.46Å; H291-I295 WeakPolarHBondContact NE2-CD1 3.48Å; H291-I295 WeakPolarHBondContact O-CG1 3.32Å; H291-I295 PolarHBondContact O-N 2.82Å
292T67.8Low65.6Low9 Ų969.4 Ų69.46%0.05535%0.351CS..Hα-helixtrans-58.7-49.1176-600000111.4Y281 E286 L289 R294 I295 L296Y281-T292 HydrophobicContact CD1-CG2 4.46Å; Y281-T292 HydrophobicContact CE1-CG2 3.31Å; Y281-T292 VanDerWaalsContact OH-CG2 3.26Å; Y281-T292 WeakPolarHBondContact OH-CG2 3.42Å; E286-T292 PolarHBondContact O-OG1 3.3Å; L289-T292 VanDerWaalsContact O-CB 3.27Å; L289-T292 WeakPolarHBondContact O-CB 3.42Å; L289-T292 PolarHBondContact O-N 2.9Å; T292-R294 VanDerWaalsContact C-N 3.29Å; T292-R294 PolarHBondContact O-N 3.44Å; T292-I295 PolarHBondContact O-N 2.84Å; T292-L296 HydrophobicContact CG2-CD1 4.21Å; T292-L296 WeakPolarHBondContact O-CG 3.12Å; T292-L296 PolarHBondContact O-N 2.91Å
293I70.3Confident67.2Low34 Ų3461.2 Ų61.217%0.17431%0.312CS..Hα-helixtrans-58.8-44.3176.7-61.9173.7000110.3L289 L296 L297 W347 L361L289-I293 PolarHBondContact O-N 3.45Å; I293-L296 PolarHBondContact O-N 3.15Å; I293-L297 HydrophobicContact CG2-CD1 3.93Å; I293-L297 HydrophobicContact CG2-CG 4.29Å; I293-L297 WeakPolarHBondContact O-CB 3.34Å; I293-L297 VanDerWaalsContact O-CG 3.3Å; I293-L297 WeakPolarHBondContact O-CG 3.29Å; I293-L297 PolarHBondContact O-N 3.41Å; I293-W347 HydrophobicContact CD1-CH2 4.37Å; I293-W347 HydrophobicContact CD1-CZ2 4.2Å; I293-W347 HydrophobicContact CG1-CH2 3.88Å; I293-W347 HydrophobicContact CG1-CZ2 3.56Å; I293-L361 HydrophobicContact CG2-CD2 4.31Å
294R73.6Confident68.8Low112 Ų11260.1 Ų60.142%0.42330%0.303SS..Hα-helixtrans-64.6-40.3179.3-174.2172.6175.3164.7-6.6112.4L223 P290 H291 T292 T298L223-R294 HydrophobicContact CD2-CG 4.02Å; P290-R294 WeakPolarHBondContact O-CB 3.33Å; P290-R294 PolarHBondContact O-N 3.01Å; H291-R294 WeakPolarHBondContact O-CB 3.15Å; H291-R294 PolarHBondContact O-N 3.12Å; T292-R294 VanDerWaalsContact C-N 3.29Å; T292-R294 PolarHBondContact O-N 3.44Å; R294-T298 WeakPolarHBondContact O-CB 3.44Å; R294-T298 PolarHBondContact O-N 3.48Å; R294-T298 PolarHBondContact O-OG1 3.01Å
295I75Confident69.9Low37 Ų3760.8 Ų60.819%0.1930%0.297CS..Hα-helixtrans-62.2-49.2174.7-68.6164.9000109.9P276 L279 H291 T292 L297 T298 R299P276-I295 HydrophobicContact CB-CG2 4.27Å; L279-I295 HydrophobicContact CD1-CB 4.46Å; L279-I295 HydrophobicContact CD1-CD1 4.47Å; L279-I295 HydrophobicContact CD1-CG2 3.76Å; H291-I295 VanDerWaalsContact CD2-CD1 3.42Å; H291-I295 WeakPolarHBondContact CD2-CD1 3.46Å; H291-I295 WeakPolarHBondContact NE2-CD1 3.48Å; H291-I295 WeakPolarHBondContact O-CG1 3.32Å; H291-I295 PolarHBondContact O-N 2.82Å; T292-I295 PolarHBondContact O-N 2.84Å; I295-L297 PolarHBondContact O-N 3.1Å; I295-T298 WeakPolarHBondContact O-CB 3.39Å; I295-T298 PolarHBondContact O-N 3.41Å; I295-T298 VanDerWaalsContact O-N 3.15Å; I295-R299 HydrophobicContact CG2-CG 4.36Å; I295-R299 WeakPolarHBondContact O-CG 3.46Å; I295-R299 PolarHBondContact O-N 3.33Å
296L74.5Confident71.1Confident8 Ų859.8 Ų59.84%0.04229%0.292CS..Hα-helixtrans-59.7-46.7179.7-72.8171.8000112.1T292 I293 T298 R299 L300 W347T292-L296 HydrophobicContact CG2-CD1 4.21Å; T292-L296 WeakPolarHBondContact O-CG 3.12Å; T292-L296 PolarHBondContact O-N 2.91Å; I293-L296 PolarHBondContact O-N 3.15Å; L296-T298 VanDerWaalsContact C-N 3.29Å; L296-T298 PolarHBondContact O-N 3.23Å; L296-R299 PolarHBondContact O-N 3.47Å; L296-L300 WeakPolarHBondContact O-CB 3.32Å; L296-L300 PolarHBondContact O-N 3.42Å; L296-W347 HydrophobicContact CD1-CB 4.17Å; L296-W347 HydrophobicContact CD1-CD2 3.45Å; L296-W347 VanDerWaalsContact CD1-CD2 3.45Å; L296-W347 HydrophobicContact CD1-CE3 3.95Å; L296-W347 HydrophobicContact CD1-CG 3.51Å; L296-W347 HydrophobicContact CD1-CZ2 4.46Å
297L78Confident72Confident8 Ų856.3 Ų56.34%0.04228%0.276CS..Hα-helixtrans-63.4-35176.3-71.2178.5000112.3I219 L222 L223 I293 I295 R301 I364I219-L297 HydrophobicContact CG1-CD2 4.33Å; I219-L297 HydrophobicContact CG2-CB 4.32Å; L222-L297 HydrophobicContact CB-CD1 4.13Å; L222-L297 HydrophobicContact CD1-CD1 4.3Å; L223-L297 HydrophobicContact CD2-CB 3.96Å; L223-L297 HydrophobicContact CD2-CD1 4.28Å; L223-L297 HydrophobicContact CG-CB 4.34Å; I293-L297 HydrophobicContact CG2-CD1 3.93Å; I293-L297 HydrophobicContact CG2-CG 4.29Å; I293-L297 WeakPolarHBondContact O-CB 3.34Å; I293-L297 VanDerWaalsContact O-CG 3.3Å; I293-L297 WeakPolarHBondContact O-CG 3.29Å; I293-L297 PolarHBondContact O-N 3.41Å; I295-L297 PolarHBondContact O-N 3.1Å; L297-R301 WeakPolarHBondContact O-CB 3.24Å; L297-R301 PolarHBondContact O-N 3.39Å; L297-I364 HydrophobicContact CD2-CD1 4.16Å; L297-I364 HydrophobicContact CD2-CG2 4.17Å
298T77.6Confident72.9Confident58 Ų5857.4 Ų57.436%0.35628%0.283SS..Hα-helixtrans-69.3-42.5175.6-55.50000111.1R294 I295 L296 R301 N302R294-T298 WeakPolarHBondContact O-CB 3.44Å; R294-T298 PolarHBondContact O-N 3.48Å; R294-T298 PolarHBondContact O-OG1 3.01Å; I295-T298 WeakPolarHBondContact O-CB 3.39Å; I295-T298 PolarHBondContact O-N 3.41Å; I295-T298 VanDerWaalsContact O-N 3.15Å; L296-T298 VanDerWaalsContact C-N 3.29Å; L296-T298 PolarHBondContact O-N 3.23Å; T298-R301 PolarHBondContact O-N 3.49Å; T298-N302 VanDerWaalsContact O-CG 3.3Å; T298-N302 PolarHBondContact O-N 2.82Å
299R76.8Confident73.6Confident47 Ų4758.1 Ų58.118%0.17729%0.291CS..Hα-helixtrans-62.8-42.2173.8-69.4-179.585.1-159.9-1.5111.3P276 I295 L296 N302 W303 V340 E343P276-R299 HydrophobicContact CG-CG 4.35Å; I295-R299 HydrophobicContact CG2-CG 4.36Å; I295-R299 WeakPolarHBondContact O-CG 3.46Å; I295-R299 PolarHBondContact O-N 3.33Å; L296-R299 PolarHBondContact O-N 3.47Å; R299-N302 PolarHBondContact O-N 2.81Å; R299-W303 WeakPolarHBondContact O-CB 3.36Å; R299-W303 PolarHBondContact O-N 3.44Å; R299-V340 HydrophobicContact CB-CG1 4.17Å; R299-E343 IonicContact CZ-OE2 2.71Å; R299-E343 IonicContact NH1-OE1 3.45Å; R299-E343 IonicContact NH1-OE2 2.64Å; R299-E343 PolarHBondContact NH1-OE2 2.95Å; R299-E343 IonicContact NH2-OE2 3.07Å
300L80.6Confident74.1Confident0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-64.1-40175.8-174.167.6000112.2L215 I219 L296 W303 L304 V341 L344 I364 A368L215-L300 HydrophobicContact CD1-CD2 4.22Å; L215-L300 HydrophobicContact CD2-CD2 4.43Å; I219-L300 HydrophobicContact CD1-CB 4.34Å; I219-L300 HydrophobicContact CD1-CD2 3.55Å; I219-L300 HydrophobicContact CD1-CG 3.76Å; I219-L300 HydrophobicContact CG1-CD2 4.12Å; L296-L300 WeakPolarHBondContact O-CB 3.32Å; L296-L300 PolarHBondContact O-N 3.42Å; L300-W303 HydrophobicContact CD1-CD2 4.49Å; L300-W303 HydrophobicContact CD1-CE3 3.62Å; L300-W303 HydrophobicContact CD1-CZ3 4Å; L300-W303 WeakPolarHBondContact O-CB 3.4Å; L300-W303 PolarHBondContact O-N 3.41Å; L300-L304 WeakPolarHBondContact O-CG 3.43Å; L300-L304 PolarHBondContact O-N 3.37Å; L300-V341 HydrophobicContact CD1-CG2 4.45Å; L300-L344 HydrophobicContact CD2-CD1 3.94Å; L300-I364 HydrophobicContact CD2-CG2 3.61Å; L300-A368 HydrophobicContact CD1-CB 3.88Å; L300-A368 HydrophobicContact CD2-CB 4.31Å
301R79.6Confident74.2Confident85 Ų8550.9 Ų50.932%0.32125%0.254SS..Hα-helixtrans-62.8-43.8173.7-174.5178.8172.2176.10.9111.6F216 I219 L297 T298 W303 L304 H305F216-R301 HydrophobicContact CE2-CG 4.19Å; I219-R301 HydrophobicContact CG2-CB 4.16Å; L297-R301 WeakPolarHBondContact O-CB 3.24Å; L297-R301 PolarHBondContact O-N 3.39Å; T298-R301 PolarHBondContact O-N 3.49Å; R301-W303 VanDerWaalsContact C-N 3.35Å; R301-L304 PolarHBondContact O-N 2.76Å; R301-H305 PolarHBondContact O-CD2 2.87Å; R301-H305 PolarHBondContact O-N 2.86Å; R301-H305 VanDerWaalsContact O-N 3.14Å
302N77.8Confident74.1Confident80 Ų8047.9 Ų47.943%0.42825%0.246SC..Hα-helixtrans-63.9-41.9176.7-71.4-12.7000111.4T298 R299 L304 H305 Q306T298-N302 VanDerWaalsContact O-CG 3.3Å; T298-N302 PolarHBondContact O-N 2.82Å; R299-N302 PolarHBondContact O-N 2.81Å; N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.17Å; N302-H305 PolarHBondContact O-N 3.12Å; N302-H305 VanDerWaalsContact O-N 3.15Å; N302-Q306 WeakPolarHBondContact O-CG 3.32Å; N302-Q306 PolarHBondContact O-N 3.28Å
303W79.7Confident74Confident12 Ų1247.6 Ų47.65%0.04524%0.243CC..Hα-helixtrans-55.9-47172.6171.771.4000111.8L215 R299 L300 R301 H305 Q306 L307 G337 V340 V341 I371L215-W303 HydrophobicContact CD2-CZ3 4.39Å; R299-W303 WeakPolarHBondContact O-CB 3.36Å; R299-W303 PolarHBondContact O-N 3.44Å; L300-W303 HydrophobicContact CD1-CD2 4.49Å; L300-W303 HydrophobicContact CD1-CE3 3.62Å; L300-W303 HydrophobicContact CD1-CZ3 4Å; L300-W303 WeakPolarHBondContact O-CB 3.4Å; L300-W303 PolarHBondContact O-N 3.41Å; R301-W303 VanDerWaalsContact C-N 3.35Å; W303-H305 VanDerWaalsContact C-N 3.28Å; W303-H305 PolarHBondContact O-N 3.07Å; W303-Q306 PolarHBondContact O-N 2.77Å; W303-L307 HydrophobicContact CD2-CD1 4.23Å; W303-L307 HydrophobicContact CD2-CG 4.3Å; W303-L307 HydrophobicContact CE3-CD1 4.25Å; W303-L307 HydrophobicContact CH2-CD1 3.82Å; W303-L307 HydrophobicContact CZ2-CD1 3.75Å; W303-L307 HydrophobicContact CZ2-CD2 3.9Å; W303-L307 HydrophobicContact CZ2-CG 4.17Å; W303-L307 HydrophobicContact CZ3-CD1 4.05Å; W303-L307 WeakPolarHBondContact O-CG 3.44Å; W303-L307 PolarHBondContact O-N 2.89Å; W303-G337 PolarHBondContact NE1-O 2.85Å; W303-V340 HydrophobicContact CB-CG1 4.44Å; W303-V341 HydrophobicContact CD2-CG2 4.23Å; W303-V341 HydrophobicContact CE3-CG2 4.24Å; W303-V341 HydrophobicContact CH2-CG2 3.7Å; W303-V341 HydrophobicContact CZ2-CG2 3.7Å; W303-V341 HydrophobicContact CZ3-CG2 3.99Å; W303-I371 HydrophobicContact CH2-CB 4.04Å; W303-I371 HydrophobicContact CH2-CG2 3.63Å; W303-I371 HydrophobicContact CZ2-CG2 4.37Å; W303-I371 HydrophobicContact CZ3-CG2 4.32Å
304L80Confident73.6Confident15 Ų1546.6 Ų46.68%0.07924%0.238CC..Hα-helixtrans-60.1-35.6176.8-74.1168.2000113.7R212 L215 I219 L300 R301 N302 L307 I371R212-L304 HydrophobicContact CG-CD2 4.31Å; L215-L304 HydrophobicContact CB-CD1 4.25Å; L215-L304 HydrophobicContact CD2-CD1 3.79Å; L215-L304 HydrophobicContact CD2-CD2 3.92Å; L215-L304 HydrophobicContact CD2-CG 4.24Å; L215-L304 HydrophobicContact CG-CD1 3.74Å; I219-L304 HydrophobicContact CD1-CD1 3.58Å; L300-L304 WeakPolarHBondContact O-CG 3.43Å; L300-L304 PolarHBondContact O-N 3.37Å; R301-L304 PolarHBondContact O-N 2.76Å; N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.17Å; L304-L307 HydrophobicContact CD2-CD1 4.06Å; L304-I371 HydrophobicContact CD2-CD1 4.04Å
305H77.1Confident73Confident119 Ų11945 Ų4555%0.55124%0.238SC*.Hα-helixtrans-71.9-31.5175.5-75.4-61.5000112.7F216 R301 N302 W303F216-H305 AromaticContact CE2-CE1 3.66Å; F216-H305 AromaticContact CE2-NE2 3.49Å; F216-H305 WeakPolarHBondContact CE2-NE2 3.4Å; R301-H305 PolarHBondContact O-CD2 2.87Å; R301-H305 PolarHBondContact O-N 2.86Å; R301-H305 VanDerWaalsContact O-N 3.14Å; N302-H305 PolarHBondContact O-N 3.12Å; N302-H305 VanDerWaalsContact O-N 3.15Å; W303-H305 VanDerWaalsContact C-N 3.28Å; W303-H305 PolarHBondContact O-N 3.07Å
306Q75.9Confident71.5Confident140 Ų14045.1 Ų45.165%0.65424%0.243SC*.Hα-helixtrans-81.3-17.1178.9-70.9173.7-9.400113.2N302 W303N302-Q306 WeakPolarHBondContact O-CG 3.32Å; N302-Q306 PolarHBondContact O-N 3.28Å; W303-Q306 PolarHBondContact O-N 2.77Å
307L71.6Confident70.3Confident16 Ų1646.5 Ų46.58%0.08425%0.252CS..SBendtrans-64.2124.6179.3-77.6177.3000111.5R212 W303 L304 I371R212-L307 PolarHBondContact NH1-O 2.8Å; W303-L307 HydrophobicContact CD2-CD1 4.23Å; W303-L307 HydrophobicContact CD2-CG 4.3Å; W303-L307 HydrophobicContact CE3-CD1 4.25Å; W303-L307 HydrophobicContact CH2-CD1 3.82Å; W303-L307 HydrophobicContact CZ2-CD1 3.75Å; W303-L307 HydrophobicContact CZ2-CD2 3.9Å; W303-L307 HydrophobicContact CZ2-CG 4.17Å; W303-L307 HydrophobicContact CZ3-CD1 4.05Å; W303-L307 WeakPolarHBondContact O-CG 3.44Å; W303-L307 PolarHBondContact O-N 2.89Å; L304-L307 HydrophobicContact CD2-CD1 4.06Å; L307-I371 HydrophobicContact CD1-CG2 3.86Å
308P70.9Confident68.8Low30 Ų3051.9 Ų51.920%0.19528%0.276CS..PPolyproline II helixtrans-60.9152.3177.321.9-30.2000111.3R212 V312 I313 L334R212-P308 VanDerWaalsContact CZ-O 3.23Å; R212-P308 PolarHBondContact NH1-O 3.21Å; R212-P308 PolarHBondContact NH2-O 3.31Å; P308-V312 HydrophobicContact CB-CB 4.45Å; P308-V312 HydrophobicContact CB-CG1 4.44Å; P308-I313 HydrophobicContact CB-CG1 4.25Å; P308-I313 HydrophobicContact CG-CD1 4.02Å; P308-I313 HydrophobicContact CG-CG1 3.7Å; P308-L334 HydrophobicContact CG-CD1 4.1Å
309P70.2Confident66.8Low82 Ų8253.1 Ų53.153%0.53228%0.28SS..PPolyproline II helixtrans-55.4144175.1-22.832.5000111.4G311 V312 I313P309-G311 PolarHBondContact O-N 3.41Å; P309-G311 VanDerWaalsContact O-N 3.14Å; P309-V312 HydrophobicContact CB-CG2 4.28Å; P309-V312 HydrophobicContact CG-CG2 4.31Å; P309-V312 WeakPolarHBondContact O-CB 3.46Å; P309-V312 PolarHBondContact O-N 2.85Å; P309-I313 PolarHBondContact O-N 2.99Å
310P68.4Low64.7Low18 Ų1855 Ų5512%0.11730%0.3CS..Hα-helixtrans-56.6-33.3-174.521-33.1000114I205 H208 V312 I313 M314 M378I205-P310 HydrophobicContact CB-CG 4.39Å; I205-P310 HydrophobicContact CG1-CB 4.11Å; I205-P310 HydrophobicContact CG1-CG 4.3Å; I205-P310 HydrophobicContact CG2-CG 3.95Å; H208-P310 HydrophobicContact CB-CB 3.97Å; H208-P310 HydrophobicContact CB-CG 4.4Å; P310-V312 PolarHBondContact O-N 2.77Å; P310-I313 WeakPolarHBondContact O-CB 3.45Å; P310-I313 PolarHBondContact O-N 3.23Å; P310-M314 PolarHBondContact O-N 3.36Å; P310-M314 VanDerWaalsContact O-N 3.17Å; P310-M378 HydrophobicContact CB-CE 3.77Å; P310-M378 WeakPolarHBondContact O-CE 3.26Å
311G63.4Low62.4Low26 Ų2661.1 Ų61.127%0.26834%0.338SS..Hα-helixtrans-60.4-41.9173.900000113.2P309 I313 M314 D315P309-G311 PolarHBondContact O-N 3.41Å; P309-G311 VanDerWaalsContact O-N 3.14Å; G311-I313 VanDerWaalsContact C-N 3.3Å; G311-I313 PolarHBondContact O-N 3.08Å; G311-M314 PolarHBondContact O-N 3.29Å; G311-D315 PolarHBondContact O-N 2.78Å
312V68.1Low60Low70 Ų7065.1 Ų65.142%0.42436%0.358SS..Hα-helixtrans-67.1-34.2178.6-178.30000111.3P308 P309 P310 D315 S316P308-V312 HydrophobicContact CB-CB 4.45Å; P308-V312 HydrophobicContact CB-CG1 4.44Å; P309-V312 HydrophobicContact CB-CG2 4.28Å; P309-V312 HydrophobicContact CG-CG2 4.31Å; P309-V312 WeakPolarHBondContact O-CB 3.46Å; P309-V312 PolarHBondContact O-N 2.85Å; P310-V312 PolarHBondContact O-N 2.77Å; V312-D315 PolarHBondContact O-N 2.73Å; V312-S316 WeakPolarHBondContact O-CB 3.34Å; V312-S316 PolarHBondContact O-N 2.99Å
313I65.3Low57.6Low2 Ų269.3 Ų69.31%0.0138%0.38CS..Hα-helixtrans-63.6-44.4175.7-61.1177.2000109.9P308 P309 P310 G311 S316 N375 M378 Q379P308-I313 HydrophobicContact CB-CG1 4.25Å; P308-I313 HydrophobicContact CG-CD1 4.02Å; P308-I313 HydrophobicContact CG-CG1 3.7Å; P309-I313 PolarHBondContact O-N 2.99Å; P310-I313 WeakPolarHBondContact O-CB 3.45Å; P310-I313 PolarHBondContact O-N 3.23Å; G311-I313 VanDerWaalsContact C-N 3.3Å; G311-I313 PolarHBondContact O-N 3.08Å; I313-S316 PolarHBondContact O-OG 2.76Å; I313-N375 WeakPolarHBondContact CD1-OD1 3.33Å; I313-M378 HydrophobicContact CB-CE 4.38Å; I313-M378 HydrophobicContact CG2-CB 3.95Å; I313-Q379 HydrophobicContact CG2-CG 3.74Å
314M62.1Low55.3Low14 Ų1472.2 Ų72.27%0.06940%0.402CS..Hα-helixtrans-67.9-40.5177.8-63-168-63.900112.2E201 I205 P310 G311 S316 S317 M378E201-M314 HydrophobicContact CB-CE 3.86Å; E201-M314 HydrophobicContact CB-SD 3.92Å; E201-M314 HydrophobicContact CG-CE 4.27Å; E201-M314 HydrophobicContact CG-SD 3.87Å; I205-M314 HydrophobicContact CD1-CE 3.34Å; I205-M314 HydrophobicContact CG1-CE 3.37Å; P310-M314 PolarHBondContact O-N 3.36Å; P310-M314 VanDerWaalsContact O-N 3.17Å; G311-M314 PolarHBondContact O-N 3.29Å; M314-S316 PolarHBondContact O-N 2.92Å; M314-S317 WeakPolarHBondContact O-CB 3.41Å; M314-S317 PolarHBondContact O-N 2.9Å; M314-S317 PolarHBondContact O-OG 2.91Å; M314-M378 HydrophobicContact CE-CE 4.35Å; M314-M378 HydrophobicContact CG-CB 4.38Å; M314-M378 HydrophobicContact CG-CE 3.28Å; M314-M378 HydrophobicContact CG-CG 4.47Å; M314-M378 HydrophobicContact SD-CE 3.71Å
315D60.3Low53Low77 Ų7777.8 Ų77.841%0.41243%0.432SS..Hα-helixtrans-70.7-28.8-179.1-72.1-25000113.4G311 V312 S317 K318 L319G311-D315 PolarHBondContact O-N 2.78Å; V312-D315 PolarHBondContact O-N 2.73Å; D315-S317 PolarHBondContact O-N 3.35Å; D315-S317 VanDerWaalsContact O-N 3.09Å; D315-K318 WeakPolarHBondContact O-CA 3.49Å; D315-K318 WeakPolarHBondContact O-CB 3.4Å; D315-K318 PolarHBondContact O-N 3.44Å; D315-L319 HydrophobicContact CB-CD1 4.22Å; D315-L319 PolarHBondContact O-N 3.29Å
316S44.3Very low51.1Low41 Ų4179.7 Ų79.729%0.28744%0.439SS..Hα-helixtrans-58.8-22.5173.270.50000113.3V312 I313 M314V312-S316 WeakPolarHBondContact O-CB 3.34Å; V312-S316 PolarHBondContact O-N 2.99Å; I313-S316 PolarHBondContact O-OG 2.76Å; M314-S316 PolarHBondContact O-N 2.92Å
317S48.8Very low49Very low36 Ų3675.7 Ų75.725%0.25243%0.426SS..Hα-helixtrans-75.4-29.2171.777.40000113.2M314 D315M314-S317 WeakPolarHBondContact O-CB 3.41Å; M314-S317 PolarHBondContact O-N 2.9Å; M314-S317 PolarHBondContact O-OG 2.91Å; D315-S317 PolarHBondContact O-N 3.35Å; D315-S317 VanDerWaalsContact O-N 3.09Å
318K46.6Very low47.1Very low121 Ų12181 Ų8153%0.52645%0.45SS..Hα-helixtrans-84.8-21.8179.6-63.3177.2-177.7165.10112.5E201 D315E201-K318 IonicContact OE1-NZ 2.68Å; E201-K318 PolarHBondContact OE1-NZ 3.48Å; E201-K318 IonicContact OE2-NZ 3.99Å; D315-K318 WeakPolarHBondContact O-CA 3.49Å; D315-K318 WeakPolarHBondContact O-CB 3.4Å; D315-K318 PolarHBondContact O-N 3.44Å
319L35.1Very low45.4Very low85 Ų8585.6 Ų85.645%0.44547%0.469SS..  trans-94.25.4-170.9-84153.5000116D315 T321 F322D315-L319 HydrophobicContact CB-CD1 4.22Å; D315-L319 PolarHBondContact O-N 3.29Å; L319-T321 PolarHBondContact O-N 2.89Å; L319-F322 PolarHBondContact O-N 3.32Å; L319-F322 VanDerWaalsContact O-N 3.13Å
320S32.5Very low44Very low86 Ų8685.7 Ų85.760%0.60147%0.465SS*.THydrogen-bonded Turntrans-69.26.9-176.753.90000115.9K381S320-K381 PolarHBondContact OG-NZ 2.82Å; S320-K381 VanDerWaalsContact OG-NZ 3.17Å
321T32.2Very low42.4Very low129 Ų12988.9 Ų88.979%0.79148%0.481SS*.THydrogen-bonded Turntrans-104.3-0173.2-18.20000113.6L319L319-T321 PolarHBondContact O-N 2.89Å
322F29.8Very low41.1Very low169 Ų16992 Ų9274%0.74149%0.49SS*.SBendtrans-113.2113176.8-89-85.5000112.5L319 S324L319-F322 PolarHBondContact O-N 3.32Å; L319-F322 VanDerWaalsContact O-N 3.13Å; F322-S324 PolarHBondContact O-N 3.06Å
323N26.5Very low39.8Very low167 Ų16793 Ų9389%0.89349%0.493SS*.  trans-43.3119.8166.4-76.7-27.4000112.1
324S31.4Very low38.9Very low73 Ų7394.6 Ų94.651%0.5150%0.502SS..  trans-175.2136.914159.80000111.1F322 K326 C327F322-S324 PolarHBondContact O-N 3.06Å; S324-K326 PolarHBondContact O-N 3.32Å; S324-C327 PolarHBondContact O-N 3.12Å
325N33.2Very low38.1Very low132 Ų13299.2 Ų99.271%0.70653%0.526SS*.THydrogen-bonded Turntrans-52.2-8.4177.5-66.8-19.9000115.3
326K36.2Very low37.4Very low160 Ų160101 Ų10170%0.69653%0.532SS*.Hα-helixtrans-74.8-31.1174.2-74.1-179.6176.4176.30113.7S324 Q328 Q329 N330S324-K326 PolarHBondContact O-N 3.32Å; K326-Q328 VanDerWaalsContact C-N 3.33Å; K326-Q329 PolarHBondContact O-N 3.06Å; K326-N330 PolarHBondContact O-N 3.33Å
327C32.5Very low37.8Very low56 Ų5699.2 Ų99.238%0.37852%0.52SS..Hα-helixtrans-69.9-31.2177.1-104.40000112.4S324 N330 N331S324-C327 PolarHBondContact O-N 3.12Å; C327-N330 PolarHBondContact O-N 2.92Å; C327-N331 PolarHBondContact O-N 3.14Å
328Q31.4Very low38.3Very low127 Ų12799.2 Ų99.259%0.59352%0.52SS*.Hα-helixtrans-67.9-39.2176.4-75.3-178.7-17.600112.2K326 N330 N331 I332K326-Q328 VanDerWaalsContact C-N 3.33Å; Q328-N330 VanDerWaalsContact C-N 3.32Å; Q328-N330 PolarHBondContact O-N 3.28Å; Q328-N331 PolarHBondContact O-N 2.9Å; Q328-I332 WeakPolarHBondContact O-CD1 3.25Å; Q328-I332 VanDerWaalsContact O-CG1 3.27Å; Q328-I332 WeakPolarHBondContact O-CG1 3.4Å; Q328-I332 PolarHBondContact O-N 3.48Å
329Q35.6Very low39.5Very low126 Ų12697 Ų9759%0.58951%0.514SS*.Hα-helixtrans-62.9-36.9175.6-76.6179.2-24.900112.6K326 I332 N333K326-Q329 PolarHBondContact O-N 3.06Å; Q329-I332 PolarHBondContact O-N 2.82Å; Q329-N333 PolarHBondContact O-N 2.65Å; Q329-N333 PolarHBondContact O-ND2 3.45Å
330N39.6Very low41.2Very low85 Ų8593.9 Ų93.946%0.45550%0.498SS..Hα-helixtrans-67-38.7175.4-77-13.5000112.3K326 C327 Q328 N333 L334K326-N330 PolarHBondContact O-N 3.33Å; C327-N330 PolarHBondContact O-N 2.92Å; Q328-N330 VanDerWaalsContact C-N 3.32Å; Q328-N330 PolarHBondContact O-N 3.28Å; N330-N333 PolarHBondContact O-N 2.92Å; N330-L334 PolarHBondContact O-N 2.95Å; N330-L334 VanDerWaalsContact O-N 3.09Å
331N35.7Very low43.2Very low85 Ų8589.9 Ų89.946%0.45547%0.47SS..Hα-helixtrans-65.9-40.3174.5-78.6-14.1000112.1C327 Q328 N333 L334 I335C327-N331 PolarHBondContact O-N 3.14Å; Q328-N331 PolarHBondContact O-N 2.9Å; N331-N333 PolarHBondContact O-N 2.94Å; N331-L334 PolarHBondContact O-N 3.28Å; N331-I335 WeakPolarHBondContact O-CD1 3.42Å; N331-I335 VanDerWaalsContact O-CG1 3.23Å; N331-I335 WeakPolarHBondContact O-CG1 3.39Å; N331-I335 PolarHBondContact O-N 2.85Å
332I36.4Very low45.3Very low91 Ų9186.9 Ų86.947%0.46745%0.449SS..Hα-helixtrans-64.1-41.2177.9-66162.7000111.2Q328 Q329 I335 Q336Q328-I332 WeakPolarHBondContact O-CD1 3.25Å; Q328-I332 VanDerWaalsContact O-CG1 3.27Å; Q328-I332 WeakPolarHBondContact O-CG1 3.4Å; Q328-I332 PolarHBondContact O-N 3.48Å; Q329-I332 PolarHBondContact O-N 2.82Å; I332-I335 PolarHBondContact O-N 2.96Å; I332-Q336 PolarHBondContact O-N 3.13Å; I332-Q336 VanDerWaalsContact O-N 3.09Å
333N40.9Very low47.4Very low91 Ų9181.3 Ų81.349%0.48743%0.425SS..Hα-helixtrans-67.9-35177-70.8-19.9000112.7Q329 N330 N331 Q336 G337Q329-N333 PolarHBondContact O-N 2.65Å; Q329-N333 PolarHBondContact O-ND2 3.45Å; N330-N333 PolarHBondContact O-N 2.92Å; N331-N333 PolarHBondContact O-N 2.94Å; N333-Q336 PolarHBondContact O-N 3.11Å; N333-G337 PolarHBondContact O-N 3.47Å; N333-G337 VanDerWaalsContact O-N 3.1Å
334L46.2Very low49.8Very low35 Ų3573.6 Ų73.618%0.18338%0.384CS..Hα-helixtrans-65.6-40.3173.3-102.7138.2000112.2P308 N330 N331 G337 S338 Q379P308-L334 HydrophobicContact CG-CD1 4.1Å; N330-L334 PolarHBondContact O-N 2.95Å; N330-L334 VanDerWaalsContact O-N 3.09Å; N331-L334 PolarHBondContact O-N 3.28Å; L334-G337 PolarHBondContact O-N 3.33Å; L334-S338 PolarHBondContact O-N 2.86Å; L334-Q379 VanDerWaalsContact CD2-NE2 3.27Å
335I44.1Very low51.9Low111 Ų11175.1 Ų75.157%0.56938%0.379SS*.Hα-helixtrans-63.8-43.4176.4-66.6162.1000110.6N331 I332 G337 S338N331-I335 WeakPolarHBondContact O-CD1 3.42Å; N331-I335 VanDerWaalsContact O-CG1 3.23Å; N331-I335 WeakPolarHBondContact O-CG1 3.39Å; N331-I335 PolarHBondContact O-N 2.85Å; I332-I335 PolarHBondContact O-N 2.96Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 2.98Å; I335-S338 WeakPolarHBondContact O-CB 3.48Å; I335-S338 PolarHBondContact O-N 2.85Å; I335-S338 PolarHBondContact O-OG 3.43Å
336Q46.1Very low54.1Low115 Ų11575.7 Ų75.754%0.53738%0.375SS..Hα-helixtrans-63-35.7175.4-72.9-174.90.300112.7I332 N333 S338 N339I332-Q336 PolarHBondContact O-N 3.13Å; I332-Q336 VanDerWaalsContact O-N 3.09Å; N333-Q336 PolarHBondContact O-N 3.11Å; Q336-S338 VanDerWaalsContact C-N 3.31Å; Q336-S338 PolarHBondContact O-N 3.26Å; Q336-N339 PolarHBondContact O-N 3.48Å
337G53.6Low56.1Low4 Ų468.6 Ų68.64%0.04134%0.344CS..Hα-helixtrans-66.8-29.8176.100000114.1W303 N333 L334 I335 N339 V340W303-G337 PolarHBondContact NE1-O 2.85Å; N333-G337 PolarHBondContact O-N 3.47Å; N333-G337 VanDerWaalsContact O-N 3.1Å; L334-G337 PolarHBondContact O-N 3.33Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 2.98Å; G337-N339 PolarHBondContact O-N 3.47Å; G337-V340 PolarHBondContact O-N 2.94Å
338S58.4Low58.2Low36 Ų3667.2 Ų67.225%0.25233%0.331SS..Hα-helixtrans-64.3-26.3178.9830000113L334 I335 Q336 N342 K372L334-S338 PolarHBondContact O-N 2.86Å; I335-S338 WeakPolarHBondContact O-CB 3.48Å; I335-S338 PolarHBondContact O-N 2.85Å; I335-S338 PolarHBondContact O-OG 3.43Å; Q336-S338 VanDerWaalsContact C-N 3.31Å; Q336-S338 PolarHBondContact O-N 3.26Å; S338-N342 VanDerWaalsContact O-CG 3.26Å; S338-N342 PolarHBondContact O-N 2.75Å; S338-N342 PolarHBondContact O-ND2 3.31Å; S338-K372 PolarHBondContact O-NZ 3.4Å
339N71.2Confident60.3Low75 Ų7568.1 Ų68.140%0.40133%0.333SS..Hα-helixtrans-70.2-40.4178.3-75-11.8000112Q336 G337 V341 N342 E343Q336-N339 PolarHBondContact O-N 3.48Å; G337-N339 PolarHBondContact O-N 3.47Å; N339-V341 PolarHBondContact O-N 3.3Å; N339-N342 PolarHBondContact O-N 3.46Å; N339-E343 WeakPolarHBondContact O-CB 3.45Å; N339-E343 WeakPolarHBondContact O-CG 3.48Å; N339-E343 PolarHBondContact O-N 2.83Å
340V72.5Confident62.1Low18 Ų1870.4 Ų70.411%0.10934%0.341CS..Hα-helixtrans-62.5-44.2-176.1-179.20000111.9R299 W303 G337 L344R299-V340 HydrophobicContact CB-CG1 4.17Å; W303-V340 HydrophobicContact CB-CG1 4.44Å; G337-V340 PolarHBondContact O-N 2.94Å; V340-L344 VanDerWaalsContact O-CB 3.31Å; V340-L344 WeakPolarHBondContact O-CB 3.17Å; V340-L344 PolarHBondContact O-N 3.11Å
341V74.4Confident63.4Low3 Ų366.5 Ų66.52%0.01832%0.32CS..Hα-helixtrans-69.7-35.7178-178.60000111.2L300 W303 N339 L344 R345 A368 K372L300-V341 HydrophobicContact CD1-CG2 4.45Å; W303-V341 HydrophobicContact CD2-CG2 4.23Å; W303-V341 HydrophobicContact CE3-CG2 4.24Å; W303-V341 HydrophobicContact CH2-CG2 3.7Å; W303-V341 HydrophobicContact CZ2-CG2 3.7Å; W303-V341 HydrophobicContact CZ3-CG2 3.99Å; N339-V341 PolarHBondContact O-N 3.3Å; V341-L344 PolarHBondContact O-N 3.44Å; V341-R345 WeakPolarHBondContact O-CB 3.27Å; V341-R345 PolarHBondContact O-N 3.18Å; V341-A368 HydrophobicContact CG1-CB 4.28Å; V341-A368 HydrophobicContact CG2-CB 4.42Å; V341-K372 HydrophobicContact CB-CD 4Å; V341-K372 HydrophobicContact CG1-CB 4.27Å; V341-K372 HydrophobicContact CG1-CD 4.02Å
342N75.4Confident65Low65 Ų6565 Ų6535%0.34831%0.31SS..Hα-helixtrans-67.2-43.8175.9-77.4-13000111.9S338 N339 R345 K346 K372S338-N342 VanDerWaalsContact O-CG 3.26Å; S338-N342 PolarHBondContact O-N 2.75Å; S338-N342 PolarHBondContact O-ND2 3.31Å; N339-N342 PolarHBondContact O-N 3.46Å; N342-R345 PolarHBondContact O-N 3.5Å; N342-K346 WeakPolarHBondContact O-CG 3.34Å; N342-K346 PolarHBondContact O-N 3.1Å; N342-K372 PolarHBondContact ND2-NZ 2.86Å; N342-K372 VanDerWaalsContact ND2-NZ 3.12Å; N342-K372 PolarHBondContact OD1-NZ 3.19Å
343E74.1Confident66.4Low52 Ų5268.9 Ų68.924%0.24332%0.324CS..Hα-helixtrans-59.4-47173.4-76.3177-170.100110.8R299 N339 R345 K346 W347R299-E343 IonicContact CZ-OE2 2.71Å; R299-E343 IonicContact NH1-OE1 3.45Å; R299-E343 IonicContact NH1-OE2 2.64Å; R299-E343 PolarHBondContact NH1-OE2 2.95Å; R299-E343 IonicContact NH2-OE2 3.07Å; N339-E343 WeakPolarHBondContact O-CB 3.45Å; N339-E343 WeakPolarHBondContact O-CG 3.48Å; N339-E343 PolarHBondContact O-N 2.83Å; E343-R345 VanDerWaalsContact C-N 3.35Å; E343-R345 PolarHBondContact O-N 3.01Å; E343-K346 PolarHBondContact O-N 2.95Å; E343-W347 WeakPolarHBondContact O-CB 3.12Å; E343-W347 PolarHBondContact O-N 2.81Å
344L77Confident67.5Low5 Ų568.6 Ų68.63%0.02633%0.325CS..Hα-helixtrans-62.8-40.3178.1-175.7131.4000112.2L300 V340 V341 W348 V365L300-L344 HydrophobicContact CD2-CD1 3.94Å; V340-L344 VanDerWaalsContact O-CB 3.31Å; V340-L344 WeakPolarHBondContact O-CB 3.17Å; V340-L344 PolarHBondContact O-N 3.11Å; V341-L344 PolarHBondContact O-N 3.44Å; L344-W348 VanDerWaalsContact O-CB 3.3Å; L344-W348 WeakPolarHBondContact O-CB 3.47Å; L344-W348 PolarHBondContact O-N 2.97Å; L344-V365 HydrophobicContact CD2-CB 3.84Å; L344-V365 HydrophobicContact CD2-CG1 3.99Å; L344-V365 HydrophobicContact CD2-CG2 3.42Å; L344-V365 VanDerWaalsContact CD2-CG2 3.42Å; L344-V365 HydrophobicContact CG-CG2 4.28Å
345R76.7Confident68.5Low106 Ų10668 Ų6840%0.432%0.323SS..Hα-helixtrans-65.6-41.9174.2-179-174.9-96.4-152.3-12.8111.8V341 N342 E343 W348 K349V341-R345 WeakPolarHBondContact O-CB 3.27Å; V341-R345 PolarHBondContact O-N 3.18Å; N342-R345 PolarHBondContact O-N 3.5Å; E343-R345 VanDerWaalsContact C-N 3.35Å; E343-R345 PolarHBondContact O-N 3.01Å; R345-W348 PolarHBondContact O-N 3.07Å; R345-K349 WeakPolarHBondContact O-CG 3.32Å; R345-K349 PolarHBondContact O-N 2.96Å; R345-K349 VanDerWaalsContact O-N 3.09Å
346K78.2Confident69.4Low143 Ų14372 Ų7262%0.62234%0.339SS*.Hα-helixtrans-61.4-52.7175.2-76178.6179.9-175.50110.1N342 E343 W348 K349 F350N342-K346 WeakPolarHBondContact O-CG 3.34Å; N342-K346 PolarHBondContact O-N 3.1Å; E343-K346 PolarHBondContact O-N 2.95Å; K346-W348 VanDerWaalsContact C-N 3.3Å; K346-W348 PolarHBondContact O-N 3.36Å; K346-K349 WeakPolarHBondContact O-CB 3.11Å; K346-K349 PolarHBondContact O-N 2.87Å; K346-K349 VanDerWaalsContact O-N 3.13Å; K346-F350 WeakPolarHBondContact O-CD2 2.98Å; K346-F350 PolarHBondContact O-N 3.4Å
347W77.4Confident70.5Confident12 Ų1270.6 Ų70.65%0.04534%0.335CS..Hα-helixtrans-54.3-45.3177173.281.7000112.1A287 I293 L296 E343 K349 F350 T351 L361A287-W347 PolarHBondContact O-NE1 3.17Å; I293-W347 HydrophobicContact CD1-CH2 4.37Å; I293-W347 HydrophobicContact CD1-CZ2 4.2Å; I293-W347 HydrophobicContact CG1-CH2 3.88Å; I293-W347 HydrophobicContact CG1-CZ2 3.56Å; L296-W347 HydrophobicContact CD1-CB 4.17Å; L296-W347 HydrophobicContact CD1-CD2 3.45Å; L296-W347 VanDerWaalsContact CD1-CD2 3.45Å; L296-W347 HydrophobicContact CD1-CE3 3.95Å; L296-W347 HydrophobicContact CD1-CG 3.51Å; L296-W347 HydrophobicContact CD1-CZ2 4.46Å; E343-W347 WeakPolarHBondContact O-CB 3.12Å; E343-W347 PolarHBondContact O-N 2.81Å; W347-K349 PolarHBondContact O-N 2.79Å; W347-F350 PolarHBondContact O-N 3.08Å; W347-T351 HydrophobicContact CZ2-CG2 4.27Å; W347-T351 PolarHBondContact O-N 2.91Å; W347-T351 PolarHBondContact O-OG1 3.36Å; W347-L361 HydrophobicContact CH2-CD1 4.22Å
348W77.4Confident71.5Confident27 Ų2776 Ų7610%0.10236%0.355CS..Hα-helixtrans-62.4-41.3178.2-173.9-115.7000112.8L344 R345 K346 F350 T351 H352 R358 L361 E362 V365L344-W348 VanDerWaalsContact O-CB 3.3Å; L344-W348 WeakPolarHBondContact O-CB 3.47Å; L344-W348 PolarHBondContact O-N 2.97Å; R345-W348 PolarHBondContact O-N 3.07Å; K346-W348 VanDerWaalsContact C-N 3.3Å; K346-W348 PolarHBondContact O-N 3.36Å; W348-F350 PolarHBondContact O-N 2.98Å; W348-T351 PolarHBondContact O-N 3.26Å; W348-H352 HydrophobicContact CD2-CB 4.13Å; W348-H352 HydrophobicContact CH2-CB 4.32Å; W348-H352 HydrophobicContact CZ2-CB 3.87Å; W348-H352 VanDerWaalsContact O-CB 3.3Å; W348-H352 WeakPolarHBondContact O-CB 3.46Å; W348-H352 PolarHBondContact O-N 2.96Å; W348-R358 HydrophobicContact CH2-CG 3.98Å; W348-R358 VanDerWaalsContact CH2-O 3.32Å; W348-R358 WeakPolarHBondContact CH2-O 2.95Å; W348-R358 HydrophobicContact CZ2-CG 4.07Å; W348-L361 HydrophobicContact CE3-CB 4.13Å; W348-L361 HydrophobicContact CH2-CB 3.67Å; W348-L361 HydrophobicContact CZ3-CB 3.4Å; W348-L361 HydrophobicContact CZ3-CD1 4.03Å; W348-L361 HydrophobicContact CZ3-CG 4.36Å; W348-E362 HydrophobicContact CH2-CB 4.43Å; W348-E362 HydrophobicContact CZ2-CB 3.64Å; W348-E362 HydrophobicContact CZ2-CG 4.25Å; W348-V365 HydrophobicContact CB-CG1 4.26Å; W348-V365 HydrophobicContact CB-CG2 3.81Å; W348-V365 HydrophobicContact CD2-CG2 3.89Å; W348-V365 HydrophobicContact CE3-CG2 4.35Å; W348-V365 HydrophobicContact CG-CB 4.34Å; W348-V365 HydrophobicContact CG-CG1 4.19Å; W348-V365 HydrophobicContact CG-CG2 3.63Å
349K76.3Confident72.3Confident146 Ų14679.5 Ų79.564%0.63537%0.37SS*.Hα-helixtrans-56.5-38.2175.9-76.3-178176.1-167.60112.2R345 K346 W347 H352R345-K349 WeakPolarHBondContact O-CG 3.32Å; R345-K349 PolarHBondContact O-N 2.96Å; R345-K349 VanDerWaalsContact O-N 3.09Å; K346-K349 WeakPolarHBondContact O-CB 3.11Å; K346-K349 PolarHBondContact O-N 2.87Å; K346-K349 VanDerWaalsContact O-N 3.13Å; W347-K349 PolarHBondContact O-N 2.79Å; K349-H352 PolarHBondContact O-CE1 3.14Å; K349-H352 PolarHBondContact O-ND1 3.45Å
350F72.2Confident72.6Confident173 Ų17380.3 Ų80.376%0.75937%0.372SS*.Hα-helixtrans-78.6-34.1179.1-67.4-71000113.6K346 W347 W348K346-F350 WeakPolarHBondContact O-CD2 2.98Å; K346-F350 PolarHBondContact O-N 3.4Å; W347-F350 PolarHBondContact O-N 3.08Å; W348-F350 PolarHBondContact O-N 2.98Å
351T67.8Low72.8Confident4 Ų479.9 Ų79.93%0.02537%0.369CS..Hα-helixtrans-103.9-10.6-168.5550000115.1A287 W347 W348 K353 T354 V355A287-T351 HydrophobicContact CB-CG2 3.73Å; W347-T351 HydrophobicContact CZ2-CG2 4.27Å; W347-T351 PolarHBondContact O-N 2.91Å; W347-T351 PolarHBondContact O-OG1 3.36Å; W348-T351 PolarHBondContact O-N 3.26Å; T351-K353 PolarHBondContact O-N 3.43Å; T351-T354 PolarHBondContact O-N 3.35Å; T351-T354 PolarHBondContact O-OG1 2.98Å; T351-T354 VanDerWaalsContact O-OG1 3.07Å; T351-V355 WeakPolarHBondContact O-CG2 3.27Å
352H68.3Low73.1Confident53 Ų5383.3 Ų83.325%0.24539%0.385CS..THydrogen-bonded Turntrans-57.7-23.9-172.272.2-76.6000115.5W348 K349 R358W348-H352 HydrophobicContact CD2-CB 4.13Å; W348-H352 HydrophobicContact CH2-CB 4.32Å; W348-H352 HydrophobicContact CZ2-CB 3.87Å; W348-H352 VanDerWaalsContact O-CB 3.3Å; W348-H352 WeakPolarHBondContact O-CB 3.46Å; W348-H352 PolarHBondContact O-N 2.96Å; K349-H352 PolarHBondContact O-CE1 3.14Å; K349-H352 PolarHBondContact O-ND1 3.45Å; H352-R358 WeakPolarHBondContact O-CD 3.13Å
353K66.8Low73.3Confident173 Ų17384.2 Ų84.275%0.75239%0.386SS*.THydrogen-bonded Turntrans-83.1-18.5179.9-65.7-171.9177.8179.70113.8T351T351-K353 PolarHBondContact O-N 3.43Å
354T64.6Low73.7Confident84 Ų8481.9 Ų81.952%0.51538%0.375SS..THydrogen-bonded Turntrans-116.42.3-165.1450000113.7L288 T351L288-T354 VanDerWaalsContact CD2-OG1 3.25Å; L288-T354 WeakPolarHBondContact CD2-OG1 3.44Å; T351-T354 PolarHBondContact O-N 3.35Å; T351-T354 PolarHBondContact O-OG1 2.98Å; T351-T354 VanDerWaalsContact O-OG1 3.07Å
355V66.9Low73.8Confident22 Ų2282.2 Ų82.213%0.13338%0.377CS..  trans-104.9129.5-174.4179.40000112.2L288 T351 N357 L361L288-V355 HydrophobicContact CD2-CG2 3.97Å; T351-V355 WeakPolarHBondContact O-CG2 3.27Å; V355-N357 VanDerWaalsContact C-N 3.32Å; V355-N357 PolarHBondContact O-N 2.95Å; V355-L361 HydrophobicContact CG1-CD1 3.5Å; V355-L361 VanDerWaalsContact CG1-CD1 3.5Å
356E61.9Low74Confident195 Ų19578.7 Ų78.791%0.91137%0.371SS*.THydrogen-bonded Turntrans-67.2-22.8-176.8-64.4179.6166.300114.6
357N69.8Low74.1Confident86 Ų8672.1 Ų72.146%0.4634%0.342SS..THydrogen-bonded Turntrans-107.748.3178.4-79.9-55.2000112.4V355 D359 Q360 L361V355-N357 VanDerWaalsContact C-N 3.32Å; V355-N357 PolarHBondContact O-N 2.95Å; N357-D359 PolarHBondContact O-N 3.23Å; N357-Q360 PolarHBondContact O-N 3.22Å; N357-L361 PolarHBondContact O-N 3.35Å
358R74Confident74.4Confident118 Ų11871.6 Ų71.645%0.44534%0.34SS..Hα-helixtrans-54.8-53.2-170-175177.3169.1173.7-2.2113W348 H352 Q360 L361 E362W348-R358 HydrophobicContact CH2-CG 3.98Å; W348-R358 VanDerWaalsContact CH2-O 3.32Å; W348-R358 WeakPolarHBondContact CH2-O 2.95Å; W348-R358 HydrophobicContact CZ2-CG 4.07Å; H352-R358 WeakPolarHBondContact O-CD 3.13Å; R358-Q360 VanDerWaalsContact C-N 3.32Å; R358-Q360 PolarHBondContact O-N 3.43Å; R358-L361 PolarHBondContact O-N 2.93Å; R358-E362 IonicContact NE-OE2 3.9Å; R358-E362 WeakPolarHBondContact O-CB 3.25Å; R358-E362 PolarHBondContact O-N 3Å
359D76.3Confident74.6Confident109 Ų10971 Ų7158%0.58334%0.34SS*.Hα-helixtrans-64-34.9-172.7-60.9-13.3000113.6N357 K363N357-D359 PolarHBondContact O-N 3.23Å; D359-K363 VanDerWaalsContact O-CB 3.31Å; D359-K363 WeakPolarHBondContact O-CB 3.49Å; D359-K363 WeakPolarHBondContact O-CD 3.46Å; D359-K363 VanDerWaalsContact O-CG 3.26Å; D359-K363 WeakPolarHBondContact O-CG 3.47Å; D359-K363 PolarHBondContact O-N 3.4Å; D359-K363 VanDerWaalsContact O-N 3.14Å
360Q76.5Confident74.9Confident92 Ų9264.4 Ų64.443%0.4331%0.311SS..Hα-helixtrans-74.5-39.6-178.6-64.4-170.610.100111.5N357 R358 I364N357-Q360 PolarHBondContact O-N 3.22Å; R358-Q360 VanDerWaalsContact C-N 3.32Å; R358-Q360 PolarHBondContact O-N 3.43Å; Q360-I364 WeakPolarHBondContact O-CG1 3.37Å; Q360-I364 PolarHBondContact O-N 3.02Å
361L77.3Confident75.4Confident10 Ų1056.2 Ų56.25%0.05228%0.275CS..Hα-helixtrans-72.9-37.6176.9-72.6167.7000111.4L222 I293 W347 W348 V355 N357 R358 K363 I364 V365L222-L361 HydrophobicContact CD1-CD2 4.15Å; I293-L361 HydrophobicContact CG2-CD2 4.31Å; W347-L361 HydrophobicContact CH2-CD1 4.22Å; W348-L361 HydrophobicContact CE3-CB 4.13Å; W348-L361 HydrophobicContact CH2-CB 3.67Å; W348-L361 HydrophobicContact CZ3-CB 3.4Å; W348-L361 HydrophobicContact CZ3-CD1 4.03Å; W348-L361 HydrophobicContact CZ3-CG 4.36Å; V355-L361 HydrophobicContact CG1-CD1 3.5Å; V355-L361 VanDerWaalsContact CG1-CD1 3.5Å; N357-L361 PolarHBondContact O-N 3.35Å; R358-L361 PolarHBondContact O-N 2.93Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.4Å; L361-I364 WeakPolarHBondContact O-CB 3.48Å; L361-I364 PolarHBondContact O-N 3.21Å; L361-I364 VanDerWaalsContact O-N 3.12Å; L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 3.13Å
362E80.5Confident76.1Confident75 Ų7557.6 Ų57.635%0.3528%0.281SS..Hα-helixtrans-57.6-47.1173.2-169.4164.1171.900111.5W348 R358 I364 V365 A366W348-E362 HydrophobicContact CH2-CB 4.43Å; W348-E362 HydrophobicContact CZ2-CB 3.64Å; W348-E362 HydrophobicContact CZ2-CG 4.25Å; R358-E362 IonicContact NE-OE2 3.9Å; R358-E362 WeakPolarHBondContact O-CB 3.25Å; R358-E362 PolarHBondContact O-N 3Å; E362-I364 VanDerWaalsContact C-N 3.3Å; E362-I364 PolarHBondContact O-N 3.43Å; E362-V365 PolarHBondContact O-N 3.08Å; E362-A366 WeakPolarHBondContact O-CB 3.37Å; E362-A366 PolarHBondContact O-N 3.28Å
363K80.5Confident76.7Confident84 Ų8458.8 Ų58.837%0.36529%0.285SS..Hα-helixtrans-57.1-40.5174.2-86174.2-174175.50112.8Y87 D359 L361 D367Y87-K363 HydrophobicContact CE1-CG 4.24Å; D359-K363 VanDerWaalsContact O-CB 3.31Å; D359-K363 WeakPolarHBondContact O-CB 3.49Å; D359-K363 WeakPolarHBondContact O-CD 3.46Å; D359-K363 VanDerWaalsContact O-CG 3.26Å; D359-K363 WeakPolarHBondContact O-CG 3.47Å; D359-K363 PolarHBondContact O-N 3.4Å; D359-K363 VanDerWaalsContact O-N 3.14Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.4Å; K363-D367 WeakPolarHBondContact O-CB 3.07Å; K363-D367 PolarHBondContact O-N 3.49Å
364I80.9Confident77.5Confident2 Ų250.6 Ų50.61%0.0125%0.25CC..Hα-helixtrans-68.9-43.8177.1-75.3171.7000111.7L215 R218 I219 L222 L297 L300 Q360 L361 E362 A366 D367 A368L215-I364 HydrophobicContact CD1-CB 4.15Å; L215-I364 HydrophobicContact CD1-CG1 4.12Å; L215-I364 HydrophobicContact CD1-CG2 3.82Å; R218-I364 HydrophobicContact CB-CD1 4.18Å; R218-I364 HydrophobicContact CB-CG1 3.91Å; I219-I364 HydrophobicContact CG1-CD1 4.37Å; I219-I364 HydrophobicContact CG1-CG2 4.44Å; L222-I364 HydrophobicContact CD1-CD1 3.23Å; L222-I364 HydrophobicContact CG-CD1 4.4Å; L297-I364 HydrophobicContact CD2-CD1 4.16Å; L297-I364 HydrophobicContact CD2-CG2 4.17Å; L300-I364 HydrophobicContact CD2-CG2 3.61Å; Q360-I364 WeakPolarHBondContact O-CG1 3.37Å; Q360-I364 PolarHBondContact O-N 3.02Å; L361-I364 WeakPolarHBondContact O-CB 3.48Å; L361-I364 PolarHBondContact O-N 3.21Å; L361-I364 VanDerWaalsContact O-N 3.12Å; E362-I364 VanDerWaalsContact C-N 3.3Å; E362-I364 PolarHBondContact O-N 3.43Å; I364-A366 VanDerWaalsContact C-N 3.3Å; I364-A366 PolarHBondContact O-N 3.38Å; I364-D367 PolarHBondContact O-N 2.81Å; I364-A368 VanDerWaalsContact O-CB 3.29Å; I364-A368 WeakPolarHBondContact O-CB 3.33Å; I364-A368 PolarHBondContact O-N 2.81Å
365V80.4Confident78.3Confident13 Ų1346.9 Ų46.98%0.07923%0.227CC..Hα-helixtrans-62-42.3177.5175.50000110.4L344 W348 L361 E362 T369L344-V365 HydrophobicContact CD2-CB 3.84Å; L344-V365 HydrophobicContact CD2-CG1 3.99Å; L344-V365 HydrophobicContact CD2-CG2 3.42Å; L344-V365 VanDerWaalsContact CD2-CG2 3.42Å; L344-V365 HydrophobicContact CG-CG2 4.28Å; W348-V365 HydrophobicContact CB-CG1 4.26Å; W348-V365 HydrophobicContact CB-CG2 3.81Å; W348-V365 HydrophobicContact CD2-CG2 3.89Å; W348-V365 HydrophobicContact CE3-CG2 4.35Å; W348-V365 HydrophobicContact CG-CB 4.34Å; W348-V365 HydrophobicContact CG-CG1 4.19Å; W348-V365 HydrophobicContact CG-CG2 3.63Å; L361-V365 WeakPolarHBondContact O-CG2 3.45Å; L361-V365 PolarHBondContact O-N 3.13Å; E362-V365 PolarHBondContact O-N 3.08Å; V365-T369 VanDerWaalsContact O-CB 3.31Å; V365-T369 WeakPolarHBondContact O-CB 3.34Å; V365-T369 PolarHBondContact O-N 3.44Å; V365-T369 PolarHBondContact O-OG1 2.9Å
366A80.1Confident79Confident32 Ų3249.8 Ų49.826%0.26424%0.241SC..Hα-helixtrans-65-49.5177.300000111.9Y87 E362 I364 A368 T369 F370Y87-A366 HydrophobicContact CD2-CB 3.87Å; Y87-A366 HydrophobicContact CE2-CB 3.48Å; Y87-A366 VanDerWaalsContact CE2-CB 3.48Å; E362-A366 WeakPolarHBondContact O-CB 3.37Å; E362-A366 PolarHBondContact O-N 3.28Å; I364-A366 VanDerWaalsContact C-N 3.3Å; I364-A366 PolarHBondContact O-N 3.38Å; A366-A368 VanDerWaalsContact C-N 3.34Å; A366-A368 PolarHBondContact O-N 3.08Å; A366-T369 WeakPolarHBondContact O-CB 3.49Å; A366-T369 PolarHBondContact O-N 3.05Å; A366-F370 WeakPolarHBondContact O-CB 3.49Å; A366-F370 PolarHBondContact O-N 2.86Å
367D81.1Confident79.8Confident5 Ų541.1 Ų41.13%0.02720%0.201CC..Hα-helixtrans-59.7-42.6177.4-71.4-11.2000112Y87 L215 R218 K363 I364 F370 I371Y87-D367 WeakPolarHBondContact CB-OD1 2.89Å; L215-D367 HydrophobicContact CB-CB 4.13Å; L215-D367 HydrophobicContact CD1-CB 3.86Å; L215-D367 HydrophobicContact CD2-CB 4.4Å; L215-D367 HydrophobicContact CG-CB 4.33Å; R218-D367 WeakPolarHBondContact CD-OD2 3.21Å; R218-D367 IonicContact CZ-OD2 3.61Å; R218-D367 IonicContact NE-OD2 3.68Å; R218-D367 VanDerWaalsContact NH1-CG 3.29Å; R218-D367 IonicContact NH1-OD1 4Å; R218-D367 PolarHBondContact NH1-OD1 3.3Å; R218-D367 IonicContact NH1-OD2 2.7Å; R218-D367 PolarHBondContact NH1-OD2 2.97Å; K363-D367 WeakPolarHBondContact O-CB 3.07Å; K363-D367 PolarHBondContact O-N 3.49Å; I364-D367 PolarHBondContact O-N 2.81Å; D367-F370 PolarHBondContact O-N 3.18Å; D367-I371 WeakPolarHBondContact O-CG1 3.24Å; D367-I371 PolarHBondContact O-N 3.3Å
368A82.3Confident80.1Confident0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-65.7-41.9178.200000111.9L215 L300 V341 I364 A366 K372L215-A368 HydrophobicContact CD2-CB 3.92Å; L300-A368 HydrophobicContact CD1-CB 3.88Å; L300-A368 HydrophobicContact CD2-CB 4.31Å; V341-A368 HydrophobicContact CG1-CB 4.28Å; V341-A368 HydrophobicContact CG2-CB 4.42Å; I364-A368 VanDerWaalsContact O-CB 3.29Å; I364-A368 WeakPolarHBondContact O-CB 3.33Å; I364-A368 PolarHBondContact O-N 2.81Å; A366-A368 VanDerWaalsContact C-N 3.34Å; A366-A368 PolarHBondContact O-N 3.08Å; A368-K372 PolarHBondContact O-N 2.98Å; A368-K372 VanDerWaalsContact O-N 3.09Å
369T82.7Confident80.1Confident15 Ų1534.5 Ų34.59%0.09217%0.173CC..Hα-helixtrans-61.1-46.3174-62.30000110.9V365 A366 K372 K373V365-T369 VanDerWaalsContact O-CB 3.31Å; V365-T369 WeakPolarHBondContact O-CB 3.34Å; V365-T369 PolarHBondContact O-N 3.44Å; V365-T369 PolarHBondContact O-OG1 2.9Å; A366-T369 WeakPolarHBondContact O-CB 3.49Å; A366-T369 PolarHBondContact O-N 3.05Å; T369-K372 WeakPolarHBondContact O-CB 3.1Å; T369-K372 PolarHBondContact O-N 3.39Å; T369-K373 HydrophobicContact CG2-CD 4.22Å; T369-K373 WeakPolarHBondContact O-CG 3.04Å; T369-K373 PolarHBondContact O-N 3.26Å
370F82Confident79.8Confident8 Ų831.7 Ų31.74%0.03516%0.159CC..Hα-helixtrans-60.9-46.2-179.7175.4-94000111.4I86 N90 F96 E97 A211 A366 D367 K372 K373 L374I86-F370 HydrophobicContact CB-CE1 4.47Å; I86-F370 HydrophobicContact CG2-CD1 4.07Å; I86-F370 HydrophobicContact CG2-CE1 3.26Å; I86-F370 HydrophobicContact CG2-CE2 4.09Å; I86-F370 HydrophobicContact CG2-CZ 3.3Å; N90-F370 HydrophobicContact CB-CD2 4.32Å; N90-F370 HydrophobicContact CB-CE2 4.3Å; F96-F370 HydrophobicContact CD1-CE2 4.02Å; F96-F370 HydrophobicContact CD1-CZ 4.44Å; F96-F370 HydrophobicContact CE1-CE2 4.09Å; F96-F370 HydrophobicContact CE1-CZ 4.05Å; E97-F370 HydrophobicContact CG-CD2 3.9Å; E97-F370 HydrophobicContact CG-CE2 3.89Å; E97-F370 WeakPolarHBondContact OE1-CD2 3.28Å; A211-F370 HydrophobicContact CB-CD1 3.94Å; A211-F370 HydrophobicContact CB-CE1 3.95Å; A366-F370 WeakPolarHBondContact O-CB 3.49Å; A366-F370 PolarHBondContact O-N 2.86Å; D367-F370 PolarHBondContact O-N 3.18Å; F370-K372 VanDerWaalsContact C-N 3.31Å; F370-K372 PolarHBondContact O-N 2.78Å; F370-K373 PolarHBondContact O-N 2.68Å; F370-L374 HydrophobicContact CD1-CD1 3.92Å; F370-L374 HydrophobicContact CD1-CG 4.23Å; F370-L374 HydrophobicContact CE1-CD1 3.13Å; F370-L374 HydrophobicContact CE1-CD2 4.47Å; F370-L374 HydrophobicContact CE1-CG 3.69Å; F370-L374 HydrophobicContact CE2-CD1 4.49Å; F370-L374 HydrophobicContact CE2-CG 4.27Å; F370-L374 HydrophobicContact CZ-CD1 3.48Å; F370-L374 VanDerWaalsContact CZ-CD1 3.48Å; F370-L374 HydrophobicContact CZ-CD2 4.01Å; F370-L374 HydrophobicContact CZ-CG 3.69Å; F370-L374 PolarHBondContact O-N 2.93Å
371I82.5Confident79Confident0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-60.9-41.3176.2-68.8166.8000111.3A211 R212 L215 W303 L304 L307 D367 L374 N375A211-I371 HydrophobicContact CB-CD1 4.12Å; A211-I371 HydrophobicContact CB-CG1 3.68Å; R212-I371 HydrophobicContact CG-CD1 4.29Å; L215-I371 HydrophobicContact CB-CD1 4.19Å; L215-I371 HydrophobicContact CD2-CD1 3.72Å; W303-I371 HydrophobicContact CH2-CB 4.04Å; W303-I371 HydrophobicContact CH2-CG2 3.63Å; W303-I371 HydrophobicContact CZ2-CG2 4.37Å; W303-I371 HydrophobicContact CZ3-CG2 4.32Å; L304-I371 HydrophobicContact CD2-CD1 4.04Å; L307-I371 HydrophobicContact CD1-CG2 3.86Å; D367-I371 WeakPolarHBondContact O-CG1 3.24Å; D367-I371 PolarHBondContact O-N 3.3Å; I371-L374 PolarHBondContact O-N 3.41Å; I371-N375 PolarHBondContact O-N 2.72Å; I371-N375 PolarHBondContact O-ND2 3.43Å
372K82.2Confident77.9Confident34 Ų3433.6 Ų33.615%0.14817%0.167CC..Hα-helixtrans-60.4-50.1176.2178.6173.8176.2172.20111S338 V341 N342 A368 T369 F370 L374 N375 D376S338-K372 PolarHBondContact O-NZ 3.4Å; V341-K372 HydrophobicContact CB-CD 4Å; V341-K372 HydrophobicContact CG1-CB 4.27Å; V341-K372 HydrophobicContact CG1-CD 4.02Å; N342-K372 PolarHBondContact ND2-NZ 2.86Å; N342-K372 VanDerWaalsContact ND2-NZ 3.12Å; N342-K372 PolarHBondContact OD1-NZ 3.19Å; A368-K372 PolarHBondContact O-N 2.98Å; A368-K372 VanDerWaalsContact O-N 3.09Å; T369-K372 WeakPolarHBondContact O-CB 3.1Å; T369-K372 PolarHBondContact O-N 3.39Å; F370-K372 VanDerWaalsContact C-N 3.31Å; F370-K372 PolarHBondContact O-N 2.78Å; K372-L374 PolarHBondContact O-N 3.03Å; K372-N375 WeakPolarHBondContact O-CB 3.49Å; K372-N375 PolarHBondContact O-N 3.35Å; K372-N375 VanDerWaalsContact O-N 3.13Å; K372-D376 VanDerWaalsContact O-CG 3.27Å; K372-D376 PolarHBondContact O-N 3.44Å
373K82.4Confident76.3Confident78 Ų7835.7 Ų35.734%0.33918%0.18SC..Hα-helixtrans-61.8-40.4178.2-72.8177.5169.5-175.50112.7E97 T369 F370 N375 D376 I377E97-K373 VanDerWaalsContact OE1-CD 3.26Å; E97-K373 WeakPolarHBondContact OE1-CD 3.34Å; E97-K373 IonicContact OE1-NZ 3.81Å; E97-K373 WeakPolarHBondContact OE2-CD 3.47Å; E97-K373 WeakPolarHBondContact OE2-CE 3.35Å; E97-K373 IonicContact OE2-NZ 3.44Å; E97-K373 PolarHBondContact OE2-NZ 3.23Å; T369-K373 HydrophobicContact CG2-CD 4.22Å; T369-K373 WeakPolarHBondContact O-CG 3.04Å; T369-K373 PolarHBondContact O-N 3.26Å; F370-K373 PolarHBondContact O-N 2.68Å; K373-N375 VanDerWaalsContact C-N 3.32Å; K373-N375 PolarHBondContact O-N 3.26Å; K373-D376 WeakPolarHBondContact O-CB 3.4Å; K373-D376 PolarHBondContact O-N 3.15Å; K373-I377 VanDerWaalsContact O-CG1 3.29Å; K373-I377 WeakPolarHBondContact O-CG1 2.94Å; K373-I377 PolarHBondContact O-N 3.3Å
374L82.7Confident74.7Confident1 Ų133.4 Ų33.41%0.00517%0.174CC..Hα-helixtrans-59.3-42.8173.4-82.2-172.5000111.9L100 L204 C207 H208 F370 I371 K372 D376 I377 M378L100-L374 HydrophobicContact CD1-CD2 3.89Å; L204-L374 HydrophobicContact CD2-CD2 4.47Å; C207-L374 HydrophobicContact CB-CD1 4.33Å; H208-L374 HydrophobicContact CB-CD1 4.46Å; F370-L374 HydrophobicContact CD1-CD1 3.92Å; F370-L374 HydrophobicContact CD1-CG 4.23Å; F370-L374 HydrophobicContact CE1-CD1 3.13Å; F370-L374 HydrophobicContact CE1-CD2 4.47Å; F370-L374 HydrophobicContact CE1-CG 3.69Å; F370-L374 HydrophobicContact CE2-CD1 4.49Å; F370-L374 HydrophobicContact CE2-CG 4.27Å; F370-L374 HydrophobicContact CZ-CD1 3.48Å; F370-L374 VanDerWaalsContact CZ-CD1 3.48Å; F370-L374 HydrophobicContact CZ-CD2 4.01Å; F370-L374 HydrophobicContact CZ-CG 3.69Å; F370-L374 PolarHBondContact O-N 2.93Å; I371-L374 PolarHBondContact O-N 3.41Å; K372-L374 PolarHBondContact O-N 3.03Å; L374-D376 VanDerWaalsContact C-N 3.32Å; L374-D376 PolarHBondContact O-N 3.46Å; L374-I377 PolarHBondContact O-N 3.35Å; L374-M378 WeakPolarHBondContact O-CB 3.3Å; L374-M378 WeakPolarHBondContact O-CG 3.46Å; L374-M378 PolarHBondContact O-N 2.89Å
375N82.1Confident73Confident6 Ų640.2 Ų40.23%0.03221%0.206CC..Hα-helixtrans-60.9-43.1174.8-72.1-32.5000111.5H208 I313 I371 K372 K373 I377 M378 Q379H208-N375 PolarHBondContact CD2-OD1 3.09Å; H208-N375 VanDerWaalsContact CD2-OD1 3.31Å; H208-N375 PolarHBondContact NE2-OD1 3.28Å; I313-N375 WeakPolarHBondContact CD1-OD1 3.33Å; I371-N375 PolarHBondContact O-N 2.72Å; I371-N375 PolarHBondContact O-ND2 3.43Å; K372-N375 WeakPolarHBondContact O-CB 3.49Å; K372-N375 PolarHBondContact O-N 3.35Å; K372-N375 VanDerWaalsContact O-N 3.13Å; K373-N375 VanDerWaalsContact C-N 3.32Å; K373-N375 PolarHBondContact O-N 3.26Å; N375-I377 VanDerWaalsContact C-N 3.35Å; N375-I377 PolarHBondContact O-N 3.01Å; N375-M378 PolarHBondContact O-N 2.87Å; N375-Q379 WeakPolarHBondContact O-CB 3.29Å; N375-Q379 VanDerWaalsContact O-CG 3.29Å; N375-Q379 WeakPolarHBondContact O-CG 3.45Å; N375-Q379 PolarHBondContact O-N 3.03Å
376D80.1Confident71.3Confident82 Ų8244.8 Ų44.844%0.43923%0.233SC..Hα-helixtrans-61.7-43.2177.5-59.1-24.4000110.9K372 K373 L374 Q379 T380K372-D376 VanDerWaalsContact O-CG 3.27Å; K372-D376 PolarHBondContact O-N 3.44Å; K373-D376 WeakPolarHBondContact O-CB 3.4Å; K373-D376 PolarHBondContact O-N 3.15Å; L374-D376 VanDerWaalsContact C-N 3.32Å; L374-D376 PolarHBondContact O-N 3.46Å; D376-Q379 PolarHBondContact O-N 3.25Å; D376-T380 PolarHBondContact O-N 3.34Å; D376-T380 PolarHBondContact O-OG1 3.49Å
377I79.7Confident69.6Low14 Ų1447 Ų477%0.07224%0.238CC..Hα-helixtrans-61.2-48.4175.2-67.9166.4000110.6E97 L100 A101 L104 K373 L374 N375 Q379 T380E97-I377 WeakPolarHBondContact O-CD1 3.26Å; L100-I377 HydrophobicContact CB-CD1 4.43Å; A101-I377 HydrophobicContact CB-CD1 4.26Å; A101-I377 HydrophobicContact CB-CG1 4.07Å; L104-I377 HydrophobicContact CD2-CG2 3.87Å; L104-I377 VanDerWaalsContact CD2-O 3.26Å; L104-I377 WeakPolarHBondContact CD2-O 3.16Å; K373-I377 VanDerWaalsContact O-CG1 3.29Å; K373-I377 WeakPolarHBondContact O-CG1 2.94Å; K373-I377 PolarHBondContact O-N 3.3Å; L374-I377 PolarHBondContact O-N 3.35Å; N375-I377 VanDerWaalsContact C-N 3.35Å; N375-I377 PolarHBondContact O-N 3.01Å; I377-Q379 PolarHBondContact O-N 3.31Å; I377-T380 WeakPolarHBondContact CA-OG1 3.45Å; I377-T380 VanDerWaalsContact O-CB 3.27Å; I377-T380 WeakPolarHBondContact O-CB 3.37Å; I377-T380 PolarHBondContact O-N 3.01Å; I377-T380 VanDerWaalsContact O-N 3.1Å; I377-T380 PolarHBondContact O-OG1 2.93Å
378M76.7Confident67.8Low6 Ų653.7 Ų53.73%0.0327%0.267CS..Hα-helixtrans-63.2-31.2-180-69.8171.674.700112.4L204 P310 I313 M314 L374 N375L204-M378 HydrophobicContact CD1-CG 4.33Å; P310-M378 HydrophobicContact CB-CE 3.77Å; P310-M378 WeakPolarHBondContact O-CE 3.26Å; I313-M378 HydrophobicContact CB-CE 4.38Å; I313-M378 HydrophobicContact CG2-CB 3.95Å; M314-M378 HydrophobicContact CE-CE 4.35Å; M314-M378 HydrophobicContact CG-CB 4.38Å; M314-M378 HydrophobicContact CG-CE 3.28Å; M314-M378 HydrophobicContact CG-CG 4.47Å; M314-M378 HydrophobicContact SD-CE 3.71Å; L374-M378 WeakPolarHBondContact O-CB 3.3Å; L374-M378 WeakPolarHBondContact O-CG 3.46Å; L374-M378 PolarHBondContact O-N 2.89Å; N375-M378 PolarHBondContact O-N 2.87Å
379Q73.7Confident65.9Low58 Ų5859.7 Ų59.727%0.27130%0.295SS..Hα-helixtrans-86.6-7.3177.2-70.1-178.8-3.200114.1I313 L334 N375 D376 I377 K381I313-Q379 HydrophobicContact CG2-CG 3.74Å; L334-Q379 VanDerWaalsContact CD2-NE2 3.27Å; N375-Q379 WeakPolarHBondContact O-CB 3.29Å; N375-Q379 VanDerWaalsContact O-CG 3.29Å; N375-Q379 WeakPolarHBondContact O-CG 3.45Å; N375-Q379 PolarHBondContact O-N 3.03Å; D376-Q379 PolarHBondContact O-N 3.25Å; I377-Q379 PolarHBondContact O-N 3.31Å; Q379-K381 PolarHBondContact O-N 3.24Å
380T69.4Low64.1Low50 Ų5067.5 Ų67.531%0.30732%0.322SS..  trans-59.7109.3-174.6-61.50000110.7K108 D376 I377K108-T380 PolarHBondContact NZ-O 3.23Å; D376-T380 PolarHBondContact O-N 3.34Å; D376-T380 PolarHBondContact O-OG1 3.49Å; I377-T380 WeakPolarHBondContact CA-OG1 3.45Å; I377-T380 VanDerWaalsContact O-CB 3.27Å; I377-T380 WeakPolarHBondContact O-CB 3.37Å; I377-T380 PolarHBondContact O-N 3.01Å; I377-T380 VanDerWaalsContact O-N 3.1Å; I377-T380 PolarHBondContact O-OG1 2.93Å
381K59.9Low62.5Low116 Ų11673.4 Ų73.450%0.50435%0.348SS..  trans-87.2125.7169.7-66.7-170.2179.6-169.90108.8S320 Q379 N383S320-K381 PolarHBondContact OG-NZ 2.82Å; S320-K381 VanDerWaalsContact OG-NZ 3.17Å; Q379-K381 PolarHBondContact O-N 3.24Å; K381-N383 PolarHBondContact O-N 2.86Å
382I54.8Low60.6Low27 Ų2779 Ų7914%0.13837%0.374CS..  trans-88.7102.8173.6-55.6-178.6000108.2K105 K108 R112 T384K105-I382 HydrophobicContact CB-CD1 4.11Å; K105-I382 HydrophobicContact CG-CD1 4.11Å; K108-I382 HydrophobicContact CB-CD1 3.44Å; K108-I382 VanDerWaalsContact CB-CD1 3.44Å; K108-I382 HydrophobicContact CB-CG1 4.5Å; K108-I382 HydrophobicContact CD-CD1 3.54Å; K108-I382 HydrophobicContact CD-CG1 3.88Å; K108-I382 HydrophobicContact CG-CD1 4.1Å; R112-I382 VanDerWaalsContact NH1-CG2 3.32Å; R112-I382 PolarHBondContact NH1-O 2.87Å; R112-I382 PolarHBondContact NH2-O 3.49Å; I382-T384 HydrophobicContact CG2-CG2 4.42Å; I382-T384 PolarHBondContact O-N 3.45Å
383N46.8Very low58.7Low118 Ų11886.7 Ų86.763%0.63140%0.404SS*.  trans-76.697167.8-81.1-3.3000109.5K381 E385K381-N383 PolarHBondContact O-N 2.86Å; N383-E385 PolarHBondContact O-N 3.05Å
384T46.4Very low56.9Low36 Ų3688 Ų8822%0.22141%0.411CS..Hα-helixtrans-72.2-8.4177.523.70000114.9R112 I382 V386 E387 K388R112-T384 PolarHBondContact NH1-OG1 3.35Å; R112-T384 PolarHBondContact NH2-OG1 3.26Å; I382-T384 HydrophobicContact CG2-CG2 4.42Å; I382-T384 PolarHBondContact O-N 3.45Å; T384-V386 VanDerWaalsContact C-N 3.26Å; T384-V386 PolarHBondContact O-N 3.01Å; T384-E387 PolarHBondContact O-N 3.33Å; T384-K388 WeakPolarHBondContact O-CB 3.48Å; T384-K388 WeakPolarHBondContact O-CG 3.37Å; T384-K388 PolarHBondContact O-N 3.42Å
385E44.3Very low55.1Low146 Ų14691 Ų9168%0.68243%0.432SS*.Hα-helixtrans-62.5-39.1173.8-69.9179.6167.600110.9N383 E387 K388 H389N383-E385 PolarHBondContact O-N 3.05Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E385-E387 PolarHBondContact O-N 3.31Å; E385-K388 PolarHBondContact O-N 3.22Å; E385-H389 PolarHBondContact O-CD2 2.94Å; E385-H389 PolarHBondContact O-N 3.47Å; E385-H389 VanDerWaalsContact O-N 3.09Å
386V45.1Very low53.2Low108 Ų10895.5 Ų95.566%0.65546%0.456SS*.Hα-helixtrans-66.1-36.2177.7-176.20000111.6T384 R390T384-V386 VanDerWaalsContact C-N 3.26Å; T384-V386 PolarHBondContact O-N 3.01Å; V386-R390 PolarHBondContact O-N 3.45Å
387E45.6Very low51.3Low78 Ų7898.9 Ų98.936%0.36447%0.467SS..Hα-helixtrans-77.2-32.8175.3-80.9179.5149.200113.5L109 T384 E385 H389 R390 K391L109-E387 WeakPolarHBondContact CD2-OE2 3.48Å; T384-E387 PolarHBondContact O-N 3.33Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E385-E387 PolarHBondContact O-N 3.31Å; E387-H389 VanDerWaalsContact C-N 3.34Å; E387-R390 PolarHBondContact O-N 2.89Å; E387-K391 PolarHBondContact O-N 2.9Å
388K43.2Very low49.5Very low147 Ų147103.4 Ų103.464%0.63949%0.491SS*.Hα-helixtrans-60.1-45.5172.4-83.7-175176.4-176.70110.6T384 E385 R390 K391 Q392T384-K388 WeakPolarHBondContact O-CB 3.48Å; T384-K388 WeakPolarHBondContact O-CG 3.37Å; T384-K388 PolarHBondContact O-N 3.42Å; E385-K388 PolarHBondContact O-N 3.22Å; K388-R390 VanDerWaalsContact C-N 3.33Å; K388-R390 PolarHBondContact O-N 3.34Å; K388-K391 PolarHBondContact O-N 3.38Å; K388-Q392 WeakPolarHBondContact O-CB 3.48Å; K388-Q392 PolarHBondContact O-N 3.04Å
389H42Very low47.7Very low126 Ų126108.1 Ų108.158%0.58352%0.516SS*.Hα-helixtrans-63.1-37.3176.4-79.4-68.1000112.9E385 E387 Y393E385-H389 PolarHBondContact O-CD2 2.94Å; E385-H389 PolarHBondContact O-N 3.47Å; E385-H389 VanDerWaalsContact O-N 3.09Å; E387-H389 VanDerWaalsContact C-N 3.34Å; H389-Y393 PolarHBondContact O-N 3.18Å
390R45.1Very low46.1Very low179 Ų179109.4 Ų109.468%0.67553%0.528SS*.Hα-helixtrans-67.2-42.2177-157.5177.7-178179.12.7112.3V386 E387 K388 Y393 E394V386-R390 PolarHBondContact O-N 3.45Å; E387-R390 PolarHBondContact O-N 2.89Å; K388-R390 VanDerWaalsContact C-N 3.33Å; K388-R390 PolarHBondContact O-N 3.34Å; R390-Y393 PolarHBondContact O-N 2.82Å; R390-E394 PolarHBondContact O-N 3.26Å; R390-E394 VanDerWaalsContact O-N 3.11Å
391K48Very low44.5Very low132 Ų132112.1 Ų112.157%0.57454%0.541SS*.Hα-helixtrans-71.8-32.5176.4-74-175.5178.2179.80113.7E387 K388 Y393 E394 S395E387-K391 PolarHBondContact O-N 2.9Å; K388-K391 PolarHBondContact O-N 3.38Å; K391-Y393 VanDerWaalsContact C-N 3.33Å; K391-E394 PolarHBondContact O-N 3.28Å; K391-S395 VanDerWaalsContact O-CB 3.25Å; K391-S395 WeakPolarHBondContact O-CB 3.19Å; K391-S395 PolarHBondContact O-N 3.18Å
392Q42Very low43.4Very low118 Ų118109.3 Ų109.355%0.55154%0.535SS*.Hα-helixtrans-65.4-38.9173.6-124.4169-10.300111.2K388 N396K388-Q392 WeakPolarHBondContact O-CB 3.48Å; K388-Q392 PolarHBondContact O-N 3.04Å; Q392-N396 WeakPolarHBondContact O-CB 3.1Å; Q392-N396 VanDerWaalsContact O-CG 3.25Å; Q392-N396 PolarHBondContact O-N 3.02Å
393Y42.7Very low42.3Very low194 Ų194111.4 Ų111.476%0.76155%0.552SS**Hα-helixtrans-66-38.3173.2-112.5-88.5000113H389 R390 K391 K397H389-Y393 PolarHBondContact O-N 3.18Å; R390-Y393 PolarHBondContact O-N 2.82Å; K391-Y393 VanDerWaalsContact C-N 3.33Å; Y393-K397 PolarHBondContact O-N 3.27Å
394E44.3Very low41.7Very low105 Ų105111 Ų11149%0.49155%0.55SS.*Hα-helixtrans-75.2-36.7177-74.4171.5178.800112.9R390 K391 K397 N398R390-E394 PolarHBondContact O-N 3.26Å; R390-E394 VanDerWaalsContact O-N 3.11Å; K391-E394 PolarHBondContact O-N 3.28Å; E394-K397 WeakPolarHBondContact O-CB 3.49Å; E394-K397 PolarHBondContact O-N 3.14Å; E394-N398 PolarHBondContact O-N 3.25Å
395S44.9Very low41.1Very low64 Ų64112 Ų11245%0.44856%0.561SS.*Hα-helixtrans-66.8-38.8175.9-168.20000111.8K391 K397 N398 L399K391-S395 VanDerWaalsContact O-CB 3.25Å; K391-S395 WeakPolarHBondContact O-CB 3.19Å; K391-S395 PolarHBondContact O-N 3.18Å; S395-K397 VanDerWaalsContact C-N 3.29Å; S395-K397 PolarHBondContact O-N 3.35Å; S395-N398 PolarHBondContact O-N 3.21Å; S395-L399 WeakPolarHBondContact O-CD1 3.42Å; S395-L399 PolarHBondContact O-N 3.15Å
396N41.7Very low40.7Very low102 Ų102110.4 Ų110.455%0.54556%0.556SS.*Hα-helixtrans-66.5-30.5175.8-74.9-7000112.4Q392 T400Q392-N396 WeakPolarHBondContact O-CB 3.1Å; Q392-N396 VanDerWaalsContact O-CG 3.25Å; Q392-N396 PolarHBondContact O-N 3.02Å; N396-T400 PolarHBondContact O-N 3.07Å; N396-T400 PolarHBondContact O-OG1 3.23Å
397K41.5Very low40.2Very low153 Ų153111.8 Ų111.867%0.66556%0.556SS**Hα-helixtrans-70.3-32.9172.9-110.5-178.3176.5-1780113.4Y393 E394 S395 T400Y393-K397 PolarHBondContact O-N 3.27Å; E394-K397 WeakPolarHBondContact O-CB 3.49Å; E394-K397 PolarHBondContact O-N 3.14Å; S395-K397 VanDerWaalsContact C-N 3.29Å; S395-K397 PolarHBondContact O-N 3.35Å; K397-T400 PolarHBondContact O-OG1 3.28Å
398N41.5Very low39.9Very low109 Ų109113.4 Ų113.458%0.58357%0.571SS**Hα-helixtrans-82.7-31.5-179.9-71.7-15.8000112.5E394 S395 N401 S402E394-N398 PolarHBondContact O-N 3.25Å; S395-N398 PolarHBondContact O-N 3.21Å; N398-N401 PolarHBondContact O-N 3.5Å; N398-S402 PolarHBondContact O-N 3.11Å; N398-S402 PolarHBondContact O-OG 3.49Å
399L38.3Very low39.4Very low104 Ų104113.3 Ų113.355%0.54558%0.576SS.*Hα-helixtrans-65.6-36.2173.1-88.9146.7000112.6S395 N401 S402 S403S395-L399 WeakPolarHBondContact O-CD1 3.42Å; S395-L399 PolarHBondContact O-N 3.15Å; L399-N401 VanDerWaalsContact C-N 3.31Å; L399-N401 PolarHBondContact O-N 3.4Å; L399-S402 PolarHBondContact O-OG 3.41Å; L399-S403 WeakPolarHBondContact O-CB 3.14Å; L399-S403 PolarHBondContact O-N 3.49Å; L399-S403 VanDerWaalsContact O-N 3.11Å
400T39.9Very low39Very low86 Ų86114.1 Ų114.153%0.52859%0.585SS.*Hα-helixtrans-67.7-30.8173.145.20000112.7N396 K397N396-T400 PolarHBondContact O-N 3.07Å; N396-T400 PolarHBondContact O-OG1 3.23Å; K397-T400 PolarHBondContact O-OG1 3.28Å
401N36.1Very low38.6Very low107 Ų107114.5 Ų114.557%0.57261%0.607SS**Hα-helixtrans-84-29.9178.7-70.3-9.3000113N398 L399N398-N401 PolarHBondContact O-N 3.5Å; L399-N401 VanDerWaalsContact C-N 3.31Å; L399-N401 PolarHBondContact O-N 3.4Å
402S36.9Very low38.2Very low56 Ų56113.7 Ų113.739%0.39261%0.609SS.*Hα-helixtrans-78.4-28.7175.5640000112.9N398 L399 L404 A405 I406N398-S402 PolarHBondContact O-N 3.11Å; N398-S402 PolarHBondContact O-OG 3.49Å; L399-S402 PolarHBondContact O-OG 3.41Å; S402-L404 VanDerWaalsContact C-N 3.31Å; S402-L404 PolarHBondContact O-N 3.21Å; S402-A405 PolarHBondContact O-N 3.17Å; S402-I406 WeakPolarHBondContact O-CG1 3.45Å; S402-I406 PolarHBondContact O-N 3.32Å
403S33.2Very low38Very low71 Ų71113.4 Ų113.450%0.49761%0.612SS.*Hα-helixtrans-61.6-39.5172.9-174.10000111.8L399 A405L399-S403 WeakPolarHBondContact O-CB 3.14Å; L399-S403 PolarHBondContact O-N 3.49Å; L399-S403 VanDerWaalsContact O-N 3.11Å; S403-A405 VanDerWaalsContact C-N 3.32Å; S403-A405 PolarHBondContact O-N 3.46Å
404L34.1Very low37.7Very low111 Ų111108.9 Ų108.958%0.58160%0.603SS**Hα-helixtrans-70-25.1175.3-82.6157.5000113.3S402 V408S402-L404 VanDerWaalsContact C-N 3.31Å; S402-L404 PolarHBondContact O-N 3.21Å; L404-V408 WeakPolarHBondContact O-CG2 3.36Å
405A32.7Very low37.3Very low55 Ų55109.2 Ų109.246%0.45561%0.61SS.*Hα-helixtrans-82.2-23.6179.400000113.4S402 S403S402-A405 PolarHBondContact O-N 3.17Å; S403-A405 VanDerWaalsContact C-N 3.32Å; S403-A405 PolarHBondContact O-N 3.46Å
406I36.1Very low36.8Very low113 Ų113112 Ų11258%0.57962%0.62SS**Hα-helixtrans-84.8-27.3179.1-65.1172000111.3S402 V408 L409S402-I406 WeakPolarHBondContact O-CG1 3.45Å; S402-I406 PolarHBondContact O-N 3.32Å; I406-V408 VanDerWaalsContact C-N 3.28Å; I406-V408 PolarHBondContact O-N 3.48Å; I406-L409 PolarHBondContact O-N 3.03Å
407E35Very low36.5Very low137 Ų137112.7 Ų112.764%0.6463%0.625SS**Hα-helixtrans-71-21.8171.9-78.1-178.4156.600113.3
408V38.1Very low36.2Very low113 Ų113109.8 Ų109.869%0.68562%0.622SS**THydrogen-bonded Turntrans-84.9-10.5179.4177.80000112.9L404 I406L404-V408 WeakPolarHBondContact O-CG2 3.36Å; I406-V408 VanDerWaalsContact C-N 3.28Å; I406-V408 PolarHBondContact O-N 3.48Å
409L34.4Very low35.8Very low144 Ų144109.8 Ų109.875%0.75463%0.625SS**THydrogen-bonded Turntrans-104.52179.1-79.3162.9000114I406I406-L409 PolarHBondContact O-N 3.03Å
410N33.4Very low35.5Very low144 Ų144110.3 Ų110.377%0.7763%0.632SS**  trans-11221.8177.4-87-17.5000113.2
411V36.7Very low35.1Very low187 Ų187112.5 Ų112.5100%1.13364%0.642SS**  trans-121.40166-176.40000107.3

Retrieved 411 of 411 residues in 288.7 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).