A0A3Q0KPV7_SCHMA Loading...

Zf-LYAR domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 349 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
1M70.1Confident90.4Very high161 Ų16156.3 Ų56.379%0.79332%0.321SS*.  0125.30179.6-165.984.300105.9V3 K14M1-V3 HydrophobicContact CE-CG2 4.19Å; M1-K14 HydrophobicContact CE-CB 3.81Å; M1-K14 HydrophobicContact CE-CD 3.4Å; M1-K14 VanDerWaalsContact CE-CD 3.4Å; M1-K14 HydrophobicContact CE-CG 3.36Å; M1-K14 HydrophobicContact SD-CB 4.4Å; M1-K14 HydrophobicContact SD-CD 3.81Å; M1-K14 HydrophobicContact SD-CG 4.26Å
2V82Confident90.7Very high26 Ų2660.3 Ų60.316%0.15835%0.348CS..  trans-69.7132.7-174.6-173.90000110.8F4 C33 C51V2-F4 HydrophobicContact CB-CE2 4.19Å; V2-F4 HydrophobicContact CG1-CD2 4.27Å; V2-F4 HydrophobicContact CG1-CE1 4.49Å; V2-F4 HydrophobicContact CG1-CE2 3.67Å; V2-F4 HydrophobicContact CG1-CZ 3.81Å; V2-C33 WeakPolarHBondContact CG1-SG 3.36Å; V2-C51 HydrophobicContact CG2-CB 4.26Å
3V90.3Very high90.9Very high41 Ų4157.2 Ų57.225%0.24833%0.329CS..EExtended strand (participates in β ladder)trans-111.7138.8176.6-178.30000109.2M1 T12 V34M1-V3 HydrophobicContact CE-CG2 4.19Å; V3-T12 HydrophobicContact CG1-CG2 3.3Å; V3-V34 HydrophobicContact CB-CG2 4.46Å; V3-V34 HydrophobicContact CG1-CG2 4.24Å; V3-V34 PolarHBondContact O-N 3.08Å
4F93.7Very high90.9Very high0 Ų060.9 Ų60.90%034%0.34CS..EExtended strand (participates in β ladder)trans-117.6152.3178.1-63.9-93.8000110.1V2 T12 L13 K15 V18 V31 S32 C33 F40 V45 H48V2-F4 HydrophobicContact CB-CE2 4.19Å; V2-F4 HydrophobicContact CG1-CD2 4.27Å; V2-F4 HydrophobicContact CG1-CE1 4.49Å; V2-F4 HydrophobicContact CG1-CE2 3.67Å; V2-F4 HydrophobicContact CG1-CZ 3.81Å; F4-T12 CarbonylContact O-C 3.48Å; F4-T12 WeakPolarHBondContact O-CA 3Å; F4-L13 PolarHBondContact N-O 3.19Å; F4-L13 PolarHBondContact O-N 3.45Å; F4-K15 HydrophobicContact CD2-CB 4.49Å; F4-K15 HydrophobicContact CE2-CB 3.84Å; F4-K15 HydrophobicContact CE2-CG 3.96Å; F4-V18 HydrophobicContact CB-CG2 3.84Å; F4-V18 HydrophobicContact CD2-CG2 3.59Å; F4-V18 HydrophobicContact CE2-CG2 4.32Å; F4-V18 HydrophobicContact CG-CG2 3.8Å; F4-V31 HydrophobicContact CB-CB 4.13Å; F4-V31 HydrophobicContact CB-CG2 4.08Å; F4-V31 HydrophobicContact CD1-CB 4.45Å; F4-V31 HydrophobicContact CD1-CG2 3.67Å; F4-V31 HydrophobicContact CE1-CG2 4.44Å; F4-V31 HydrophobicContact CG-CG2 4.11Å; F4-S32 CarbonylContact C-O 3.53Å; F4-S32 VanDerWaalsContact CA-O 3.22Å; F4-S32 WeakPolarHBondContact CA-O 3.17Å; F4-C33 HydrophobicContact CD1-CB 4.08Å; F4-C33 HydrophobicContact CE1-CB 3.93Å; F4-F40 HydrophobicContact CD1-CD2 4.23Å; F4-F40 AromaticContact CE1-CD2 3.63Å; F4-F40 HydrophobicContact CE1-CD2 3.63Å; F4-F40 HydrophobicContact CE1-CE2 4.03Å; F4-F40 HydrophobicContact CE1-CG 4.26Å; F4-V45 HydrophobicContact CD1-CG2 4.39Å; F4-V45 HydrophobicContact CE1-CG2 3.83Å; F4-V45 HydrophobicContact CE2-CG2 4.09Å; F4-V45 HydrophobicContact CZ-CG2 3.64Å; F4-H48 HydrophobicContact CZ-CB 4.47Å; F4-H48 AromaticContact CZ-CD2 3.78Å
5V95.5Very high90.7Very high42 Ų4260.1 Ų60.126%0.25533%0.331SS..EExtended strand (participates in β ladder)trans-119.9129.2172.3174.90000108.1S7 A11 V31 S32 V34V5-S7 PolarHBondContact O-N 2.82Å; V5-A11 WeakPolarHBondContact CA-O 3.49Å; V5-V31 CarbonylContact O-C 3.6Å; V5-V31 VanDerWaalsContact O-CA 3.31Å; V5-V31 WeakPolarHBondContact O-CA 3.35Å; V5-S32 PolarHBondContact N-O 3.31Å; V5-S32 PolarHBondContact O-N 3.05Å; V5-V34 HydrophobicContact CB-CG2 4.49Å; V5-V34 HydrophobicContact CG2-CG2 3.51Å
6C95.5Very high90.5Very high0 Ų061.6 Ų61.60%035%0.347CS..EExtended strand (participates in β ladder)trans-72.8126.6175.3179.30000110.7Q8 C9 N10 A11 L13 H21 C28 V31C6-Q8 VanDerWaalsContact C-N 3.26Å; C6-Q8 PolarHBondContact O-N 3.09Å; C6-Q8 PolarHBondContact SG-OE1 3.01Å; C6-C9 VanDerWaalsContact CB-SG 3.55Å; C6-C9 PolarHBondContact SG-SG 3.49Å; C6-N10 WeakPolarHBondContact O-CA 3.48Å; C6-N10 PolarHBondContact O-N 2.82Å; C6-N10 PolarHBondContact O-OD1 3.41Å; C6-A11 HydrophobicContact CB-CB 4.43Å; C6-A11 PolarHBondContact N-O 3.32Å; C6-L13 HydrophobicContact CB-CD1 4.33Å; C6-H21 PolarHBondContact SG-NE2 2.9Å; C6-C28 VanDerWaalsContact SG-CB 3.59Å; C6-V31 HydrophobicContact CB-CG1 4.31Å
7S93.1Very high90.5Very high52 Ų5264 Ų6436%0.36435%0.354SS..THydrogen-bonded Turntrans-66.6-23.7-17857.30000114V5 L30V5-S7 PolarHBondContact O-N 2.82Å; S7-L30 PolarHBondContact N-O 3.43Å; S7-L30 VanDerWaalsContact N-O 3.08Å; S7-L30 PolarHBondContact OG-O 3.15Å
8Q93Very high90.6Very high82 Ų8260.4 Ų60.438%0.38334%0.335SS..THydrogen-bonded Turntrans-96.9-35.6-176.7-63.986.311.100114.4C6 R27 S29 L30C6-Q8 VanDerWaalsContact C-N 3.26Å; C6-Q8 PolarHBondContact O-N 3.09Å; C6-Q8 PolarHBondContact SG-OE1 3.01Å; Q8-R27 WeakPolarHBondContact CG-O 3.48Å; Q8-S29 PolarHBondContact NE2-OG 3.47Å; Q8-L30 PolarHBondContact OE1-O 3.42Å
9C94.2Very high90.5Very high63 Ų6363 Ų6343%0.42634%0.339SS..THydrogen-bonded Turntrans-115.60.1-178.568.50000113.9C6 A11 H21C6-C9 VanDerWaalsContact CB-SG 3.55Å; C6-C9 PolarHBondContact SG-SG 3.49Å; C9-A11 PolarHBondContact O-N 3.29Å; C9-A11 VanDerWaalsContact SG-CB 3.52Å; C9-H21 PolarHBondContact SG-CE1 3.1Å; C9-H21 PolarHBondContact SG-NE2 2.93Å
10N93.2Very high90.5Very high120 Ų12065.1 Ų65.164%0.64235%0.35SS*.  trans55.621.7-177.9-64-27.6000114.6C6C6-N10 WeakPolarHBondContact O-CA 3.48Å; C6-N10 PolarHBondContact O-N 2.82Å; C6-N10 PolarHBondContact O-OD1 3.41Å
11A93.6Very high90.6Very high32 Ų3263.2 Ų63.226%0.26434%0.339SS..  trans-71.313217600000111.4V5 C6 C9 L13V5-A11 WeakPolarHBondContact CA-O 3.49Å; C6-A11 HydrophobicContact CB-CB 4.43Å; C6-A11 PolarHBondContact N-O 3.32Å; C9-A11 PolarHBondContact O-N 3.29Å; C9-A11 VanDerWaalsContact SG-CB 3.52Å; A11-L13 HydrophobicContact CB-CD2 4.46Å; A11-L13 HydrophobicContact CB-CG 4.44Å
12T94.6Very high91.6Very high104 Ų10456.2 Ų56.264%0.63831%0.305SS*.EExtended strand (participates in β ladder)trans-84.2118.9173.8-570000110.5V3 F4V3-T12 HydrophobicContact CG1-CG2 3.3Å; F4-T12 CarbonylContact O-C 3.48Å; F4-T12 WeakPolarHBondContact O-CA 3Å
13L93.3Very high91.9Very high20 Ų2060.3 Ų60.311%0.10533%0.325CS..EExtended strand (participates in β ladder)trans-123.8133.5-169.6-59.9165.8000111F4 C6 A11 H17 V18 H21 V31F4-L13 PolarHBondContact N-O 3.19Å; F4-L13 PolarHBondContact O-N 3.45Å; C6-L13 HydrophobicContact CB-CD1 4.33Å; A11-L13 HydrophobicContact CB-CD2 4.46Å; A11-L13 HydrophobicContact CB-CG 4.44Å; L13-H17 HydrophobicContact CD2-CB 4.49Å; L13-V18 HydrophobicContact CB-CG2 3.84Å; L13-V18 HydrophobicContact CD1-CG2 4.46Å; L13-H21 HydrophobicContact CD1-CB 3.62Å; L13-H21 WeakPolarHBondContact CD1-CD2 3.27Å; L13-H21 HydrophobicContact CD2-CB 3.92Å; L13-H21 HydrophobicContact CG-CB 4.42Å; L13-V31 HydrophobicContact CD1-CG1 4.22Å
14K91.2Very high91.9Very high110 Ų11063.2 Ų63.248%0.47835%0.347SS..EExtended strand (participates in β ladder)trans-73.2149.7165.3-52.3-170.4173.1-175.90108.8M1 S16 H17 V18M1-K14 HydrophobicContact CE-CB 3.81Å; M1-K14 HydrophobicContact CE-CD 3.4Å; M1-K14 VanDerWaalsContact CE-CD 3.4Å; M1-K14 HydrophobicContact CE-CG 3.36Å; M1-K14 HydrophobicContact SD-CB 4.4Å; M1-K14 HydrophobicContact SD-CD 3.81Å; M1-K14 HydrophobicContact SD-CG 4.26Å; K14-S16 PolarHBondContact O-N 2.9Å; K14-H17 PolarHBondContact O-N 3.04Å; K14-V18 PolarHBondContact O-N 3.12Å
15K87.4Confident91.5Very high49 Ų4964.9 Ų64.921%0.21336%0.358CS..Hα-helixtrans-45.3-40.3178.4-168175.8178.7-177.80113.6F4 H17 V18 V45 E46 H48F4-K15 HydrophobicContact CD2-CB 4.49Å; F4-K15 HydrophobicContact CE2-CB 3.84Å; F4-K15 HydrophobicContact CE2-CG 3.96Å; K15-H17 VanDerWaalsContact C-N 3.27Å; K15-H17 PolarHBondContact O-N 3.07Å; K15-V18 PolarHBondContact O-N 3Å; K15-V45 VanDerWaalsContact CE-O 3.23Å; K15-V45 WeakPolarHBondContact CE-O 3.39Å; K15-E46 PolarHBondContact NZ-O 3.36Å; K15-H48 WeakPolarHBondContact CE-O 3.42Å; K15-H48 PolarHBondContact NZ-O 2.95Å
16S87.5Confident91Very high83 Ų8375.1 Ų75.158%0.5839%0.393SS*.Hα-helixtrans-64.7-24.2178.755.30000115K14K14-S16 PolarHBondContact O-N 2.9Å
17H90.5Very high90.7Very high103 Ų10385.8 Ų85.848%0.47743%0.433SS..Hα-helixtrans-100.9-15.6-177-61.3170.5000112.9L13 K14 K15 R19 N20 H21L13-H17 HydrophobicContact CD2-CB 4.49Å; K14-H17 PolarHBondContact O-N 3.04Å; K15-H17 VanDerWaalsContact C-N 3.27Å; K15-H17 PolarHBondContact O-N 3.07Å; H17-R19 VanDerWaalsContact C-N 3.35Å; H17-R19 PolarHBondContact O-N 3.48Å; H17-N20 PolarHBondContact O-N 3.1Å; H17-H21 WeakPolarHBondContact O-CB 3.49Å; H17-H21 PolarHBondContact O-N 2.71Å
18V91.3Very high90.5Very high0 Ų083.9 Ų83.90%042%0.419CS..Hα-helixtrans-56.9-48.3-178.7176.10000111.4F4 L13 K14 K15 N20 H21 L22 V31 V45F4-V18 HydrophobicContact CB-CG2 3.84Å; F4-V18 HydrophobicContact CD2-CG2 3.59Å; F4-V18 HydrophobicContact CE2-CG2 4.32Å; F4-V18 HydrophobicContact CG-CG2 3.8Å; L13-V18 HydrophobicContact CB-CG2 3.84Å; L13-V18 HydrophobicContact CD1-CG2 4.46Å; K14-V18 PolarHBondContact O-N 3.12Å; K15-V18 PolarHBondContact O-N 3Å; V18-N20 VanDerWaalsContact C-N 3.33Å; V18-N20 PolarHBondContact O-N 3.19Å; V18-H21 WeakPolarHBondContact O-CB 3.43Å; V18-H21 PolarHBondContact O-N 3.39Å; V18-H21 VanDerWaalsContact O-N 3.12Å; V18-L22 HydrophobicContact CG1-CD1 3.65Å; V18-L22 HydrophobicContact CG1-CG 4.09Å; V18-L22 WeakPolarHBondContact O-CG 3.28Å; V18-L22 PolarHBondContact O-N 2.91Å; V18-V31 HydrophobicContact CG1-CB 4.4Å; V18-V31 HydrophobicContact CG1-CG1 3.91Å; V18-V31 HydrophobicContact CG1-CG2 3.62Å; V18-V45 HydrophobicContact CB-CG2 4.12Å; V18-V45 HydrophobicContact CG1-CB 4.27Å; V18-V45 HydrophobicContact CG1-CG1 4.1Å; V18-V45 HydrophobicContact CG1-CG2 3.84Å; V18-V45 HydrophobicContact CG2-CG2 4.33Å
19R89Confident90.4Very high109 Ų10983.6 Ų83.641%0.41143%0.427SS..Hα-helixtrans-58.5-46.4-179-169.3-173.5177.296.45.1111.5H17 H21 L22 L23 E46H17-R19 VanDerWaalsContact C-N 3.35Å; H17-R19 PolarHBondContact O-N 3.48Å; R19-H21 VanDerWaalsContact C-N 3.31Å; R19-H21 PolarHBondContact O-N 3.2Å; R19-L22 PolarHBondContact O-N 3.07Å; R19-L23 HydrophobicContact CG-CD1 3.84Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.37Å; R19-L23 WeakPolarHBondContact O-CD1 3.23Å; R19-L23 WeakPolarHBondContact O-CG 3.45Å; R19-L23 PolarHBondContact O-N 3.24Å; R19-E46 WeakPolarHBondContact CD-OE1 3.42Å; R19-E46 IonicContact CZ-OE1 2.67Å; R19-E46 IonicContact NE-OE1 2.74Å; R19-E46 IonicContact NH1-OE1 3.88Å; R19-E46 PolarHBondContact NH1-OE1 3.09Å; R19-E46 IonicContact NH1-OE2 3.62Å
20N90.9Very high90.4Very high104 Ų10483.1 Ų83.156%0.55642%0.42SS*.Hα-helixtrans-64.7-37.3178.5-68.5-8.1000111.7H17 V18 L23 S24H17-N20 PolarHBondContact O-N 3.1Å; V18-N20 VanDerWaalsContact C-N 3.33Å; V18-N20 PolarHBondContact O-N 3.19Å; N20-L23 PolarHBondContact O-N 2.84Å; N20-S24 WeakPolarHBondContact O-CB 3.46Å; N20-S24 PolarHBondContact O-N 3.16Å
21H93.5Very high90.4Very high27 Ų2777.4 Ų77.413%0.12539%0.389CS..Hα-helixtrans-64.6-47.9176.4177.578.8000112.3C6 C9 L13 H17 V18 R19 L23 S24 S25C6-H21 PolarHBondContact SG-NE2 2.9Å; C9-H21 PolarHBondContact SG-CE1 3.1Å; C9-H21 PolarHBondContact SG-NE2 2.93Å; L13-H21 HydrophobicContact CD1-CB 3.62Å; L13-H21 WeakPolarHBondContact CD1-CD2 3.27Å; L13-H21 HydrophobicContact CD2-CB 3.92Å; L13-H21 HydrophobicContact CG-CB 4.42Å; H17-H21 WeakPolarHBondContact O-CB 3.49Å; H17-H21 PolarHBondContact O-N 2.71Å; V18-H21 WeakPolarHBondContact O-CB 3.43Å; V18-H21 PolarHBondContact O-N 3.39Å; V18-H21 VanDerWaalsContact O-N 3.12Å; R19-H21 VanDerWaalsContact C-N 3.31Å; R19-H21 PolarHBondContact O-N 3.2Å; H21-L23 VanDerWaalsContact C-N 3.27Å; H21-L23 PolarHBondContact O-N 3.35Å; H21-S24 PolarHBondContact O-N 3.11Å; H21-S25 PolarHBondContact CE1-OG 3.32Å; H21-S25 WeakPolarHBondContact O-CB 3.41Å; H21-S25 PolarHBondContact O-N 2.91Å; H21-S25 PolarHBondContact O-OG 3.29Å; H21-S25 VanDerWaalsContact O-OG 3.08Å
22L91.4Very high90.5Very high14 Ų1477.4 Ų77.47%0.07339%0.387CS..Hα-helixtrans-68.1-25.5178.2-67.9176.8000112.9V18 R19 C28 V31 K42V18-L22 HydrophobicContact CG1-CD1 3.65Å; V18-L22 HydrophobicContact CG1-CG 4.09Å; V18-L22 WeakPolarHBondContact O-CG 3.28Å; V18-L22 PolarHBondContact O-N 2.91Å; R19-L22 PolarHBondContact O-N 3.07Å; L22-C28 HydrophobicContact CD2-CB 4.29Å; L22-C28 WeakPolarHBondContact CD2-O 3.46Å; L22-V31 HydrophobicContact CD1-CG1 4.37Å; L22-V31 HydrophobicContact CD2-CG1 4.01Å; L22-V31 HydrophobicContact CG-CG1 4.29Å; L22-K42 HydrophobicContact CB-CB 4.22Å; L22-K42 HydrophobicContact CD1-CB 3.94Å
23L88.3Confident90.4Very high112 Ų11272.5 Ų72.559%0.58636%0.357SS*.Hα-helixtrans-81.7-39.3173.4-72.6168.6000112.5R19 N20 H21R19-L23 HydrophobicContact CG-CD1 3.84Å; R19-L23 HydrophobicContact CG-CG 4.47Å; R19-L23 WeakPolarHBondContact O-CB 3.37Å; R19-L23 WeakPolarHBondContact O-CD1 3.23Å; R19-L23 WeakPolarHBondContact O-CG 3.45Å; R19-L23 PolarHBondContact O-N 3.24Å; N20-L23 PolarHBondContact O-N 2.84Å; H21-L23 VanDerWaalsContact C-N 3.27Å; H21-L23 PolarHBondContact O-N 3.35Å
24S88.9Confident90.3Very high101 Ų10174.5 Ų74.571%0.70637%0.37SS*.Hα-helixtrans-80.8-31.8-176-172.90000112.8N20 H21N20-S24 WeakPolarHBondContact O-CB 3.46Å; N20-S24 PolarHBondContact O-N 3.16Å; H21-S24 PolarHBondContact O-N 3.11Å
25S86.4Confident90.2Very high35 Ų3571.9 Ų71.925%0.24536%0.361CS..  trans-98.598-175-52.90000109.4H21 R27 C28H21-S25 PolarHBondContact CE1-OG 3.32Å; H21-S25 WeakPolarHBondContact O-CB 3.41Å; H21-S25 PolarHBondContact O-N 2.91Å; H21-S25 PolarHBondContact O-OG 3.29Å; H21-S25 VanDerWaalsContact O-OG 3.08Å; S25-R27 PolarHBondContact O-N 2.95Å; S25-C28 VanDerWaalsContact CB-SG 3.55Å; S25-C28 PolarHBondContact O-N 3.42Å
26R84.3Confident90.3Very high257 Ų25770.5 Ų70.597%0.9736%0.357SS*.THydrogen-bonded Turntrans-55.3-25.5-178.9-59.3-168-136.2-147.15114.1
27R88.7Confident90.4Very high225 Ų22572.9 Ų72.985%0.84936%0.359SS*.THydrogen-bonded Turntrans-86.7-14.6-179.9-65.1-170.3-70.1179.3-2.1114.2Q8 S25Q8-R27 WeakPolarHBondContact CG-O 3.48Å; S25-R27 PolarHBondContact O-N 2.95Å
28C90.3Very high90.4Very high11 Ų1174.5 Ų74.57%0.07437%0.365CS..  trans-103.2114.5-172.5-58.10000109.8C6 L22 S25C6-C28 VanDerWaalsContact SG-CB 3.59Å; L22-C28 HydrophobicContact CD2-CB 4.29Å; L22-C28 WeakPolarHBondContact CD2-O 3.46Å; S25-C28 VanDerWaalsContact CB-SG 3.55Å; S25-C28 PolarHBondContact O-N 3.42Å
29S91Very high90.4Very high77 Ų7778.9 Ų78.954%0.53839%0.388SS..  trans-112.4-20.9-179.656.80000113.2Q8Q8-S29 PolarHBondContact NE2-OG 3.47Å
30L93.1Very high90.6Very high53 Ų5374.5 Ų74.528%0.27737%0.372SS..EExtended strand (participates in β ladder)trans-138.3133.6-166-16577.6000111.5S7 Q8 D39S7-L30 PolarHBondContact N-O 3.43Å; S7-L30 VanDerWaalsContact N-O 3.08Å; S7-L30 PolarHBondContact OG-O 3.15Å; Q8-L30 PolarHBondContact OE1-O 3.42Å; L30-D39 HydrophobicContact CD1-CB 3.98Å; L30-D39 HydrophobicContact CD2-CB 3.88Å; L30-D39 HydrophobicContact CG-CB 4Å
31V94.2Very high90.5Very high0 Ų072.6 Ų72.60%036%0.362CS..EExtended strand (participates in β ladder)trans-123.3146.3172-56.90000111F4 V5 C6 L13 V18 L22 D39 F40F4-V31 HydrophobicContact CB-CB 4.13Å; F4-V31 HydrophobicContact CB-CG2 4.08Å; F4-V31 HydrophobicContact CD1-CB 4.45Å; F4-V31 HydrophobicContact CD1-CG2 3.67Å; F4-V31 HydrophobicContact CE1-CG2 4.44Å; F4-V31 HydrophobicContact CG-CG2 4.11Å; V5-V31 CarbonylContact O-C 3.6Å; V5-V31 VanDerWaalsContact O-CA 3.31Å; V5-V31 WeakPolarHBondContact O-CA 3.35Å; C6-V31 HydrophobicContact CB-CG1 4.31Å; L13-V31 HydrophobicContact CD1-CG1 4.22Å; V18-V31 HydrophobicContact CG1-CB 4.4Å; V18-V31 HydrophobicContact CG1-CG1 3.91Å; V18-V31 HydrophobicContact CG1-CG2 3.62Å; L22-V31 HydrophobicContact CD1-CG1 4.37Å; L22-V31 HydrophobicContact CD2-CG1 4.01Å; L22-V31 HydrophobicContact CG-CG1 4.29Å; V31-D39 CarbonylContact O-C 3.57Å; V31-D39 WeakPolarHBondContact O-CA 3.45Å; V31-F40 HydrophobicContact CG2-CB 4.2Å; V31-F40 PolarHBondContact N-O 3.29Å; V31-F40 PolarHBondContact O-N 2.64Å
32S94.3Very high90.2Very high32 Ų3276.1 Ų76.122%0.22438%0.377CS..EExtended strand (participates in β ladder)trans-108.5134.4178.9-46.20000109.7F4 V5 K38 D39F4-S32 CarbonylContact C-O 3.53Å; F4-S32 VanDerWaalsContact CA-O 3.22Å; F4-S32 WeakPolarHBondContact CA-O 3.17Å; V5-S32 PolarHBondContact N-O 3.31Å; V5-S32 PolarHBondContact O-N 3.05Å; S32-K38 WeakPolarHBondContact CA-O 3.39Å; S32-D39 WeakPolarHBondContact CB-OD1 3.15Å; S32-D39 PolarHBondContact OG-OD1 2.93Å
33C92.7Very high89.8Confident1 Ų182.3 Ų82.31%0.00740%0.403CS..EExtended strand (participates in β ladder)trans-73.9125.3172.31760000110V2 F4 D35 C36 H37 K38 F40V2-C33 WeakPolarHBondContact CG1-SG 3.36Å; F4-C33 HydrophobicContact CD1-CB 4.08Å; F4-C33 HydrophobicContact CE1-CB 3.93Å; C33-D35 PolarHBondContact O-N 3.37Å; C33-C36 VanDerWaalsContact SG-SG 3.63Å; C33-H37 WeakPolarHBondContact O-CA 3.35Å; C33-H37 PolarHBondContact O-N 2.89Å; C33-K38 PolarHBondContact N-O 2.57Å; C33-F40 HydrophobicContact CB-CD2 4.3Å; C33-F40 HydrophobicContact CB-CE2 3.73Å
34V91.3Very high89.7Confident62 Ų6278.7 Ų78.738%0.37639%0.388SS..THydrogen-bonded Turntrans-65-27.7-178.2-179.10000112.4V3 V5 H37V3-V34 HydrophobicContact CB-CG2 4.46Å; V3-V34 HydrophobicContact CG1-CG2 4.24Å; V3-V34 PolarHBondContact O-N 3.08Å; V5-V34 HydrophobicContact CB-CG2 4.49Å; V5-V34 HydrophobicContact CG2-CG2 3.51Å; V34-H37 PolarHBondContact O-CE1 3.4Å
35D89.7Confident89.6Confident54 Ų5474 Ų7429%0.28936%0.355SS..THydrogen-bonded Turntrans-80.9-56.2-174.5-61.6-40.9000110.9C33 C51 I52 K57C33-D35 PolarHBondContact O-N 3.37Å; D35-C51 HydrophobicContact CB-CB 4.28Å; D35-C51 WeakPolarHBondContact CB-SG 3.5Å; D35-I52 WeakPolarHBondContact O-CD1 3.47Å; D35-K57 PolarHBondContact O-NZ 2.85Å
36C89Confident89.4Confident21 Ų2175.8 Ų75.814%0.14236%0.359CS..THydrogen-bonded Turntrans-97.8-4.3-177.465.10000115.7C33 K38 C51 I52C33-C36 VanDerWaalsContact SG-SG 3.63Å; C36-K38 HydrophobicContact CB-CG 4.44Å; C36-K38 PolarHBondContact O-N 3.46Å; C36-K38 VanDerWaalsContact O-N 3.16Å; C36-C51 WeakPolarHBondContact CB-SG 3.19Å; C36-C51 PolarHBondContact N-SG 2.71Å; C36-C51 VanDerWaalsContact N-SG 3.39Å; C36-C51 PolarHBondContact SG-SG 3.17Å; C36-I52 HydrophobicContact CB-CD1 4.4Å; C36-I52 HydrophobicContact CB-CG1 4.12Å; C36-I52 HydrophobicContact CB-CG2 4.43Å
37H89.5Confident89.1Confident133 Ų13365.3 Ų65.362%0.61633%0.325SS*.  trans5628-179.2-56.9-57.1000114.3C33 V34 K57C33-H37 WeakPolarHBondContact O-CA 3.35Å; C33-H37 PolarHBondContact O-N 2.89Å; V34-H37 PolarHBondContact O-CE1 3.4Å; H37-K57 PolarHBondContact NE2-NZ 2.69Å
38K90.2Very high88.9Confident136 Ų13655.4 Ų55.459%0.59129%0.289SS*.  trans-92.6141.6171.6-66.3-175.6-179.5-173.20110.3S32 C33 C36 F40S32-K38 WeakPolarHBondContact CA-O 3.39Å; C33-K38 PolarHBondContact N-O 2.57Å; C36-K38 HydrophobicContact CB-CG 4.44Å; C36-K38 PolarHBondContact O-N 3.46Å; C36-K38 VanDerWaalsContact O-N 3.16Å; K38-F40 HydrophobicContact CB-CE2 3.64Å; K38-F40 HydrophobicContact CB-CZ 3.75Å; K38-F40 WeakPolarHBondContact O-CD2 3.41Å; K38-F40 WeakPolarHBondContact O-CE2 3.49Å
39D92.6Very high88.2Confident92 Ų9256.6 Ų56.649%0.49230%0.296SS..EExtended strand (participates in β ladder)trans-88.5141.5175.1-64.8-29.6000111.4L30 V31 S32L30-D39 HydrophobicContact CD1-CB 3.98Å; L30-D39 HydrophobicContact CD2-CB 3.88Å; L30-D39 HydrophobicContact CG-CB 4Å; V31-D39 CarbonylContact O-C 3.57Å; V31-D39 WeakPolarHBondContact O-CA 3.45Å; S32-D39 WeakPolarHBondContact CB-OD1 3.15Å; S32-D39 PolarHBondContact OG-OD1 2.93Å
40F92Very high87.5Confident18 Ų1857.8 Ų57.88%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-134.6132.3-177.4-61.3-85.7000110.1F4 V31 C33 K38 S44 V45 H48F4-F40 HydrophobicContact CD1-CD2 4.23Å; F4-F40 AromaticContact CE1-CD2 3.63Å; F4-F40 HydrophobicContact CE1-CD2 3.63Å; F4-F40 HydrophobicContact CE1-CE2 4.03Å; F4-F40 HydrophobicContact CE1-CG 4.26Å; V31-F40 HydrophobicContact CG2-CB 4.2Å; V31-F40 PolarHBondContact N-O 3.29Å; V31-F40 PolarHBondContact O-N 2.64Å; C33-F40 HydrophobicContact CB-CD2 4.3Å; C33-F40 HydrophobicContact CB-CE2 3.73Å; K38-F40 HydrophobicContact CB-CE2 3.64Å; K38-F40 HydrophobicContact CB-CZ 3.75Å; K38-F40 WeakPolarHBondContact O-CD2 3.41Å; K38-F40 WeakPolarHBondContact O-CE2 3.49Å; F40-S44 WeakPolarHBondContact CA-OG 3.33Å; F40-V45 HydrophobicContact CB-CB 4.03Å; F40-H48 HydrophobicContact CD1-CB 4.2Å; F40-H48 HydrophobicContact CE1-CB 3.64Å; F40-H48 AromaticContact CE1-CG 3.88Å; F40-H48 AromaticContact CE1-ND1 3.89Å; F40-H48 HydrophobicContact CE2-CB 4.45Å; F40-H48 HydrophobicContact CZ-CB 3.79Å; F40-H48 AromaticContact CZ-CE1 3.95Å; F40-H48 AromaticContact CZ-CG 3.48Å; F40-H48 VanDerWaalsContact CZ-CG 3.48Å; F40-H48 AromaticContact CZ-ND1 3.3Å; F40-H48 VanDerWaalsContact CZ-ND1 3.3Å; F40-H48 WeakPolarHBondContact CZ-ND1 3.39Å
41D90.1Very high86.9Confident63 Ų6357 Ų5734%0.33730%0.304SS..EExtended strand (participates in β ladder)trans-84.4-177.8167.773.9-3.9000111.5F43 S44 V45D41-F43 PolarHBondContact O-N 3.41Å; D41-F43 VanDerWaalsContact O-N 3.12Å; D41-F43 PolarHBondContact OD1-N 3.31Å; D41-S44 PolarHBondContact N-OG 3.19Å; D41-S44 PolarHBondContact O-OG 3.48Å; D41-S44 WeakPolarHBondContact OD1-CB 3.16Å; D41-S44 PolarHBondContact OD1-N 3.49Å; D41-S44 PolarHBondContact OD1-OG 2.89Å; D41-V45 PolarHBondContact O-N 3.27Å
42K85.9Confident86.1Confident102 Ų10260 Ų6044%0.44332%0.319SS..THydrogen-bonded Turntrans-61.5-17.8179.968.3-169.6179.1-168.20114.9L22L22-K42 HydrophobicContact CB-CB 4.22Å; L22-K42 HydrophobicContact CD1-CB 3.94Å
43F83.7Confident85.3Confident143 Ų14360.6 Ų60.663%0.62732%0.323SS*.THydrogen-bonded Turntrans-103.4-36.5-176.6-58.4-67.9000112.3D41D41-F43 PolarHBondContact O-N 3.41Å; D41-F43 VanDerWaalsContact O-N 3.12Å; D41-F43 PolarHBondContact OD1-N 3.31Å
44S86.4Confident84.4Confident37 Ų3768 Ų6826%0.25936%0.357SS..THydrogen-bonded Turntrans-80.8-27.4-176.958.20000112.9F40 D41 E46 S47F40-S44 WeakPolarHBondContact CA-OG 3.33Å; D41-S44 PolarHBondContact N-OG 3.19Å; D41-S44 PolarHBondContact O-OG 3.48Å; D41-S44 WeakPolarHBondContact OD1-CB 3.16Å; D41-S44 PolarHBondContact OD1-N 3.49Å; D41-S44 PolarHBondContact OD1-OG 2.89Å; S44-E46 PolarHBondContact O-N 2.92Å; S44-E46 VanDerWaalsContact O-N 3.17Å; S44-S47 WeakPolarHBondContact O-CB 3.47Å; S44-S47 PolarHBondContact O-N 3.46Å; S44-S47 PolarHBondContact O-OG 2.99Å
45V86.3Confident83.6Confident3 Ų371.2 Ų71.22%0.01837%0.367CS..G310 helixtrans-56.9-36-17967.60000112.8F4 K15 V18 F40 D41 S47 H48F4-V45 HydrophobicContact CD1-CG2 4.39Å; F4-V45 HydrophobicContact CE1-CG2 3.83Å; F4-V45 HydrophobicContact CE2-CG2 4.09Å; F4-V45 HydrophobicContact CZ-CG2 3.64Å; K15-V45 VanDerWaalsContact CE-O 3.23Å; K15-V45 WeakPolarHBondContact CE-O 3.39Å; V18-V45 HydrophobicContact CB-CG2 4.12Å; V18-V45 HydrophobicContact CG1-CB 4.27Å; V18-V45 HydrophobicContact CG1-CG1 4.1Å; V18-V45 HydrophobicContact CG1-CG2 3.84Å; V18-V45 HydrophobicContact CG2-CG2 4.33Å; F40-V45 HydrophobicContact CB-CB 4.03Å; D41-V45 PolarHBondContact O-N 3.27Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 2.84Å; V45-H48 PolarHBondContact O-N 3.49Å
46E81.5Confident83Confident72 Ų7271.9 Ų71.934%0.33637%0.368SS..G310 helixtrans-64.6-35.9-179.2-67.5-174169.300111.3K15 R19 S44 H48 G103K15-E46 PolarHBondContact NZ-O 3.36Å; R19-E46 WeakPolarHBondContact CD-OE1 3.42Å; R19-E46 IonicContact CZ-OE1 2.67Å; R19-E46 IonicContact NE-OE1 2.74Å; R19-E46 IonicContact NH1-OE1 3.88Å; R19-E46 PolarHBondContact NH1-OE1 3.09Å; R19-E46 IonicContact NH1-OE2 3.62Å; S44-E46 PolarHBondContact O-N 2.92Å; S44-E46 VanDerWaalsContact O-N 3.17Å; E46-H48 VanDerWaalsContact C-N 3.26Å; E46-H48 PolarHBondContact O-N 3.41Å; E46-G103 WeakPolarHBondContact O-CA 3.37Å
47S79.5Confident82.4Confident37 Ų3773.9 Ų73.926%0.25937%0.374SS..G310 helixtrans-70.7-17.1178.274.30000114.5S44 V45 C49 R102S44-S47 WeakPolarHBondContact O-CB 3.47Å; S44-S47 PolarHBondContact O-N 3.46Å; S44-S47 PolarHBondContact O-OG 2.99Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 2.84Å; S47-C49 VanDerWaalsContact C-N 3.34Å; S47-C49 PolarHBondContact O-N 3.42Å; S47-R102 VanDerWaalsContact CB-NH1 3.26Å
48H84.1Confident82Confident17 Ų1776.3 Ų76.38%0.07938%0.379CS..  trans-75.584.1180-172.264.8000111.5F4 K15 F40 V45 E46 S50F4-H48 HydrophobicContact CZ-CB 4.47Å; F4-H48 AromaticContact CZ-CD2 3.78Å; K15-H48 WeakPolarHBondContact CE-O 3.42Å; K15-H48 PolarHBondContact NZ-O 2.95Å; F40-H48 HydrophobicContact CD1-CB 4.2Å; F40-H48 HydrophobicContact CE1-CB 3.64Å; F40-H48 AromaticContact CE1-CG 3.88Å; F40-H48 AromaticContact CE1-ND1 3.89Å; F40-H48 HydrophobicContact CE2-CB 4.45Å; F40-H48 HydrophobicContact CZ-CB 3.79Å; F40-H48 AromaticContact CZ-CE1 3.95Å; F40-H48 AromaticContact CZ-CG 3.48Å; F40-H48 VanDerWaalsContact CZ-CG 3.48Å; F40-H48 AromaticContact CZ-ND1 3.3Å; F40-H48 VanDerWaalsContact CZ-ND1 3.3Å; F40-H48 WeakPolarHBondContact CZ-ND1 3.39Å; V45-H48 PolarHBondContact O-N 3.49Å; E46-H48 VanDerWaalsContact C-N 3.26Å; E46-H48 PolarHBondContact O-N 3.41Å; H48-S50 PolarHBondContact CE1-O 3.31Å; H48-S50 PolarHBondContact ND1-O 3.49Å
49C75.5Confident81.4Confident35 Ų3572.6 Ų72.624%0.23637%0.366CS..  trans-100.3-18.1-175.2-72.50000114.1S47 R102 C105S47-C49 VanDerWaalsContact C-N 3.34Å; S47-C49 PolarHBondContact O-N 3.42Å; C49-R102 PolarHBondContact SG-O 3.11Å; C49-R102 VanDerWaalsContact SG-O 3.34Å; C49-C105 HydrophobicContact CB-CB 3.74Å
50S76Confident80.3Confident102 Ų10275.8 Ų75.871%0.71338%0.376SS*.  trans-132.6139.5174.953.20000109.9H48H48-S50 PolarHBondContact CE1-O 3.31Å; H48-S50 PolarHBondContact ND1-O 3.49Å
51C80.4Confident79.2Confident38 Ų3878.6 Ų78.626%0.25740%0.402SS..  trans-123.4164.8174.7-1560000109.6V2 D35 C36 S53V2-C51 HydrophobicContact CG2-CB 4.26Å; D35-C51 HydrophobicContact CB-CB 4.28Å; D35-C51 WeakPolarHBondContact CB-SG 3.5Å; C36-C51 WeakPolarHBondContact CB-SG 3.19Å; C36-C51 PolarHBondContact N-SG 2.71Å; C36-C51 VanDerWaalsContact N-SG 3.39Å; C36-C51 PolarHBondContact SG-SG 3.17Å; C51-S53 PolarHBondContact O-N 3.06Å
52I78.5Confident78Confident61 Ų6179.4 Ų79.431%0.31341%0.406SS..  trans-61.5137175.463.4176000109.3D35 C36 K57D35-I52 WeakPolarHBondContact O-CD1 3.47Å; C36-I52 HydrophobicContact CB-CD1 4.4Å; C36-I52 HydrophobicContact CB-CG1 4.12Å; C36-I52 HydrophobicContact CB-CG2 4.43Å; I52-K57 HydrophobicContact CD1-CB 4Å; I52-K57 HydrophobicContact CD1-CD 4.05Å; I52-K57 HydrophobicContact CD1-CG 4.03Å
53S75.4Confident77Confident45 Ų4578.1 Ų78.132%0.31540%0.399SS..  trans-75.4154.2176.6710000110.8C51 K55 E56 K57 Y63C51-S53 PolarHBondContact O-N 3.06Å; S53-K55 PolarHBondContact O-N 2.87Å; S53-E56 PolarHBondContact N-OE2 3.12Å; S53-E56 WeakPolarHBondContact O-CA 3.3Å; S53-E56 WeakPolarHBondContact O-CB 3.47Å; S53-E56 PolarHBondContact O-N 3.22Å; S53-E56 VanDerWaalsContact OG-CB 3.3Å; S53-E56 WeakPolarHBondContact OG-CB 3.2Å; S53-E56 PolarHBondContact OG-N 3.28Å; S53-E56 VanDerWaalsContact OG-N 3.08Å; S53-K57 PolarHBondContact O-N 3.19Å; S53-Y63 VanDerWaalsContact OG-CE2 3.3Å; S53-Y63 WeakPolarHBondContact OG-CE2 3.41Å
54E75.3Confident76Confident156 Ų15678 Ų7873%0.72940%0.404SS*.Hα-helixtrans-54.3-39.3174.5-69.3175.3166.500111.7E56 K57 Y58E54-E56 PolarHBondContact O-N 3.49Å; E54-K57 PolarHBondContact O-N 3.28Å; E54-Y58 HydrophobicContact CB-CD2 4.48Å; E54-Y58 VanDerWaalsContact O-CD2 3.31Å; E54-Y58 WeakPolarHBondContact O-CD2 3.48Å; E54-Y58 PolarHBondContact O-N 2.93Å
55K73.7Confident74.9Confident131 Ų13184.6 Ų84.657%0.5743%0.428SS*.Hα-helixtrans-63.9-38.5174.5-66.7-173.1179-174.20112.5S53 K57 D59 Y63S53-K55 PolarHBondContact O-N 2.87Å; K55-K57 VanDerWaalsContact C-N 3.35Å; K55-D59 CarbonylContact O-C 3.54Å; K55-D59 WeakPolarHBondContact O-CA 3.44Å; K55-D59 VanDerWaalsContact O-CB 3.31Å; K55-D59 WeakPolarHBondContact O-CB 3.14Å; K55-D59 PolarHBondContact O-N 3.49Å; K55-D59 VanDerWaalsContact O-O 3.11Å; K55-Y63 HydrophobicContact CB-CD2 4.18Å
56E77.7Confident73.7Confident68 Ų6887.5 Ų87.532%0.31845%0.448SS..Hα-helixtrans-69.6-34.8175.7-173.3-177.9171.800111.9S53 E54 K60 Y63S53-E56 PolarHBondContact N-OE2 3.12Å; S53-E56 WeakPolarHBondContact O-CA 3.3Å; S53-E56 WeakPolarHBondContact O-CB 3.47Å; S53-E56 PolarHBondContact O-N 3.22Å; S53-E56 VanDerWaalsContact OG-CB 3.3Å; S53-E56 WeakPolarHBondContact OG-CB 3.2Å; S53-E56 PolarHBondContact OG-N 3.28Å; S53-E56 VanDerWaalsContact OG-N 3.08Å; E54-E56 PolarHBondContact O-N 3.49Å; E56-K60 WeakPolarHBondContact O-CG 3.23Å; E56-Y63 HydrophobicContact CB-CD1 4.2Å; E56-Y63 HydrophobicContact CB-CD2 3.8Å; E56-Y63 HydrophobicContact CB-CE1 4.24Å; E56-Y63 HydrophobicContact CB-CE2 3.83Å; E56-Y63 HydrophobicContact CB-CG 3.98Å; E56-Y63 HydrophobicContact CG-CD1 4.06Å; E56-Y63 HydrophobicContact CG-CE1 3.97Å; E56-Y63 HydrophobicContact CG-CE2 4.42Å; E56-Y63 HydrophobicContact CG-CG 4.33Å
57K76.4Confident72.6Confident62 Ų6287.5 Ų87.527%0.2746%0.457SS..Hα-helixtrans-71.7-49.7179.5-170.6173.9-174.2163.70112.1D35 H37 I52 S53 E54 K55D35-K57 PolarHBondContact O-NZ 2.85Å; H37-K57 PolarHBondContact NE2-NZ 2.69Å; I52-K57 HydrophobicContact CD1-CB 4Å; I52-K57 HydrophobicContact CD1-CD 4.05Å; I52-K57 HydrophobicContact CD1-CG 4.03Å; S53-K57 PolarHBondContact O-N 3.19Å; E54-K57 PolarHBondContact O-N 3.28Å; K55-K57 VanDerWaalsContact C-N 3.35Å
58Y81.3Confident71.5Confident184 Ų18494.9 Ų94.972%0.72248%0.484SS*.Hα-helixtrans-100.9-26.7-172.2-61.4-66.6000114.1E54E54-Y58 HydrophobicContact CB-CD2 4.48Å; E54-Y58 VanDerWaalsContact O-CD2 3.31Å; E54-Y58 WeakPolarHBondContact O-CD2 3.48Å; E54-Y58 PolarHBondContact O-N 2.93Å
59D77.6Confident70.2Confident59 Ų5996.9 Ų96.932%0.31650%0.5SS..  trans-124.150.8-171.7-163.7-3.9000111.3K55 A61 N62 Y63K55-D59 CarbonylContact O-C 3.54Å; K55-D59 WeakPolarHBondContact O-CA 3.44Å; K55-D59 VanDerWaalsContact O-CB 3.31Å; K55-D59 WeakPolarHBondContact O-CB 3.14Å; K55-D59 PolarHBondContact O-N 3.49Å; K55-D59 VanDerWaalsContact O-O 3.11Å; D59-A61 PolarHBondContact O-N 3.32Å; D59-N62 VanDerWaalsContact CG-ND2 3.28Å; D59-N62 PolarHBondContact O-N 2.94Å; D59-N62 VanDerWaalsContact O-N 3.09Å; D59-N62 VanDerWaalsContact OD1-CB 3.28Å; D59-N62 WeakPolarHBondContact OD1-CB 3.18Å; D59-N62 VanDerWaalsContact OD1-CG 3.28Å; D59-N62 PolarHBondContact OD1-N 3.25Å; D59-N62 VanDerWaalsContact OD1-N 3.16Å; D59-N62 PolarHBondContact OD1-ND2 3.04Å; D59-N62 WeakPolarHBondContact OD2-CB 3.46Å; D59-N62 PolarHBondContact OD2-ND2 3.16Å; D59-Y63 WeakPolarHBondContact O-CB 3.4Å; D59-Y63 PolarHBondContact O-N 3.47Å
60K69.5Low69.5Low159 Ų159101 Ų10169%0.69152%0.52SS*.Hα-helixtrans-50-35.2179.2-71.2-179180178.70112.1E56E56-K60 WeakPolarHBondContact O-CG 3.23Å
61A68.2Low68.9Low76 Ų76101.8 Ų101.863%0.62852%0.516SS*.Hα-helixtrans-67.2-43.4-179.500000113.1D59D59-A61 PolarHBondContact O-N 3.32Å
62N65.1Low68.1Low81 Ų81105.8 Ų105.843%0.43353%0.534SS..Hα-helixtrans-92.1-16.6-179.7-59.2-43.6000113.8D59 L64 K65 S66D59-N62 VanDerWaalsContact CG-ND2 3.28Å; D59-N62 PolarHBondContact O-N 2.94Å; D59-N62 VanDerWaalsContact O-N 3.09Å; D59-N62 VanDerWaalsContact OD1-CB 3.28Å; D59-N62 WeakPolarHBondContact OD1-CB 3.18Å; D59-N62 VanDerWaalsContact OD1-CG 3.28Å; D59-N62 PolarHBondContact OD1-N 3.25Å; D59-N62 VanDerWaalsContact OD1-N 3.16Å; D59-N62 PolarHBondContact OD1-ND2 3.04Å; D59-N62 WeakPolarHBondContact OD2-CB 3.46Å; D59-N62 PolarHBondContact OD2-ND2 3.16Å; N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 3.42Å; N62-K65 PolarHBondContact O-N 3.46Å; N62-K65 VanDerWaalsContact O-N 3.14Å; N62-S66 PolarHBondContact O-N 3.31Å; N62-S66 PolarHBondContact O-OG 2.91Å
63Y65.2Low67.9Low75 Ų75105.8 Ų105.829%0.29454%0.54SS..Hα-helixtrans-59-44.2178.6179.5-101.8000112S53 K55 E56 D59 K65 S66 S67S53-Y63 VanDerWaalsContact OG-CE2 3.3Å; S53-Y63 WeakPolarHBondContact OG-CE2 3.41Å; K55-Y63 HydrophobicContact CB-CD2 4.18Å; E56-Y63 HydrophobicContact CB-CD1 4.2Å; E56-Y63 HydrophobicContact CB-CD2 3.8Å; E56-Y63 HydrophobicContact CB-CE1 4.24Å; E56-Y63 HydrophobicContact CB-CE2 3.83Å; E56-Y63 HydrophobicContact CB-CG 3.98Å; E56-Y63 HydrophobicContact CG-CD1 4.06Å; E56-Y63 HydrophobicContact CG-CE1 3.97Å; E56-Y63 HydrophobicContact CG-CE2 4.42Å; E56-Y63 HydrophobicContact CG-CG 4.33Å; D59-Y63 WeakPolarHBondContact O-CB 3.4Å; D59-Y63 PolarHBondContact O-N 3.47Å; Y63-K65 PolarHBondContact O-N 2.88Å; Y63-S66 PolarHBondContact O-N 3.2Å; Y63-S66 PolarHBondContact O-OG 2.95Å; Y63-S67 PolarHBondContact O-N 2.53Å
64L63.3Low68.2Low140 Ų140108.8 Ų108.873%0.73355%0.548SS*.Hα-helixtrans-61.6-29.7178.1-66.7175.1000112.7N62N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 3.42Å
65K62.1Low68.5Low176 Ų176103.7 Ų103.777%0.76552%0.524SS*.Hα-helixtrans-81.4-24.7179.5-62.6-178.6-177.11760113.2N62 Y63N62-K65 PolarHBondContact O-N 3.46Å; N62-K65 VanDerWaalsContact O-N 3.14Å; Y63-K65 PolarHBondContact O-N 2.88Å
66S61.3Low68.9Low63 Ų63100.3 Ų100.344%0.44152%0.52SS..Hα-helixtrans-108.1-3.9-169.958.50000115.3N62 Y63 K68N62-S66 PolarHBondContact O-N 3.31Å; N62-S66 PolarHBondContact O-OG 2.91Å; Y63-S66 PolarHBondContact O-N 3.2Å; Y63-S66 PolarHBondContact O-OG 2.95Å; S66-K68 PolarHBondContact O-N 2.81Å
67S58.7Low69.3Low73 Ų73101.8 Ų101.851%0.5153%0.527SS..  trans-69.82.8-173.363.90000116.1Y63 S69Y63-S67 PolarHBondContact O-N 2.53Å; S67-S69 PolarHBondContact O-N 2.9Å
68K55.6Low69.9Low192 Ų19299.3 Ų99.384%0.83552%0.516SS*.  trans-75.524.5-178.9-92.7173.3178.4162.80116S66 N70S66-K68 PolarHBondContact O-N 2.81Å; K68-N70 PolarHBondContact O-N 2.75Å
69S58.3Low70Confident59 Ų5992.6 Ų92.641%0.41349%0.494SS..  trans-70.5102.3171.4169.40000110.9S67 N71 N72S67-S69 PolarHBondContact O-N 2.9Å; S69-N71 PolarHBondContact O-N 3.18Å; S69-N72 PolarHBondContact O-N 3.33Å
70N60.5Low70.5Confident121 Ų12197.9 Ų97.965%0.64751%0.51SS*.Hα-helixtrans-54.2-14.4-177.5-80.3-21.7000116.4K68 S73 K74K68-N70 PolarHBondContact O-N 2.75Å; N70-S73 PolarHBondContact O-OG 2.83Å; N70-S73 VanDerWaalsContact O-OG 3.05Å; N70-K74 WeakPolarHBondContact O-CG 3.46Å
71N62.2Low71.4Confident118 Ų11893.6 Ų93.663%0.63149%0.489SS*.Hα-helixtrans-93-38.6-177.7-72.5-27.5000112.6S69 S73 K74 Q75S69-N71 PolarHBondContact O-N 3.18Å; N71-S73 VanDerWaalsContact C-N 3.29Å; N71-S73 PolarHBondContact O-N 3.17Å; N71-K74 PolarHBondContact O-N 3.21Å; N71-Q75 PolarHBondContact O-N 2.96Å
72N65.1Low72.4Confident122 Ų12290.2 Ų90.265%0.65246%0.461SS*.Hα-helixtrans-67.4-35.4176.9-75.3-4.4000110.8S69 K74 Q75 A76S69-N72 PolarHBondContact O-N 3.33Å; N72-K74 PolarHBondContact O-N 3.48Å; N72-Q75 PolarHBondContact O-N 2.94Å; N72-A76 WeakPolarHBondContact O-CB 3.49Å; N72-A76 PolarHBondContact O-N 3.36Å
73S73.5Confident73.5Confident62 Ų6289.8 Ų89.843%0.43446%0.456SS..Hα-helixtrans-60.2-43.1175.459.60000112.2N70 N71 Q75 A76 E77N70-S73 PolarHBondContact O-OG 2.83Å; N70-S73 VanDerWaalsContact O-OG 3.05Å; N71-S73 VanDerWaalsContact C-N 3.29Å; N71-S73 PolarHBondContact O-N 3.17Å; S73-Q75 PolarHBondContact O-N 3.22Å; S73-A76 PolarHBondContact O-N 3.03Å; S73-E77 WeakPolarHBondContact O-CB 3.39Å; S73-E77 PolarHBondContact O-N 2.91Å
74K81.9Confident74.6Confident108 Ų10889.4 Ų89.447%0.4746%0.459SS..Hα-helixtrans-64.4-41178.4-69.9175.6-175.51760112.9N70 N71 N72 W78N70-K74 WeakPolarHBondContact O-CG 3.46Å; N71-K74 PolarHBondContact O-N 3.21Å; N72-K74 PolarHBondContact O-N 3.48Å; K74-W78 WeakPolarHBondContact O-CB 3.3Å; K74-W78 PolarHBondContact O-N 3.14Å
75Q82Confident76Confident48 Ų4883.2 Ų83.222%0.22443%0.428CS..Hα-helixtrans-69-39.5176.9-171.667.19.600111.3N71 N72 S73 W78 V79 C105N71-Q75 PolarHBondContact O-N 2.96Å; N72-Q75 PolarHBondContact O-N 2.94Å; S73-Q75 PolarHBondContact O-N 3.22Å; Q75-W78 PolarHBondContact O-N 3.08Å; Q75-V79 WeakPolarHBondContact O-CG2 3.43Å; Q75-V79 PolarHBondContact O-N 3.33Å; Q75-C105 PolarHBondContact NE2-O 2.75Å
76A81.4Confident77.3Confident61 Ų6176.3 Ų76.350%0.50440%0.399SS..Hα-helixtrans-63.4-43.9175.300000111.7N72 S73 W78 V79 R80N72-A76 WeakPolarHBondContact O-CB 3.49Å; N72-A76 PolarHBondContact O-N 3.36Å; S73-A76 PolarHBondContact O-N 3.03Å; A76-W78 VanDerWaalsContact C-N 3.32Å; A76-W78 PolarHBondContact O-N 3.02Å; A76-V79 PolarHBondContact O-N 3.22Å; A76-R80 WeakPolarHBondContact O-CB 3.44Å; A76-R80 PolarHBondContact O-N 3.04Å
77E86Confident78.6Confident98 Ų9880.5 Ų80.546%0.45841%0.412SS..Hα-helixtrans-60.2-43173.9-171.1-170.916200111.3S73 R80 R81S73-E77 WeakPolarHBondContact O-CB 3.39Å; S73-E77 PolarHBondContact O-N 2.91Å; E77-R80 WeakPolarHBondContact O-CB 3.35Å; E77-R80 PolarHBondContact O-N 3.2Å; E77-R81 WeakPolarHBondContact O-CG 3.2Å; E77-R81 PolarHBondContact O-N 3.09Å; E77-R81 IonicContact OE1-CZ 2.69Å; E77-R81 IonicContact OE1-NE 3.66Å; E77-R81 IonicContact OE1-NH2 3.57Å; E77-R81 PolarHBondContact OE1-NH2 2.84Å
78W88.1Confident80Confident11 Ų1183.2 Ų83.24%0.04242%0.42CS..Hα-helixtrans-62.6-43.7176.8-177.9-113000112.9K74 Q75 A76 R80 R81 I82 Q109 F114 W134 L137K74-W78 WeakPolarHBondContact O-CB 3.3Å; K74-W78 PolarHBondContact O-N 3.14Å; Q75-W78 PolarHBondContact O-N 3.08Å; A76-W78 VanDerWaalsContact C-N 3.32Å; A76-W78 PolarHBondContact O-N 3.02Å; W78-R80 VanDerWaalsContact C-N 3.31Å; W78-R80 PolarHBondContact O-N 3.09Å; W78-R81 PolarHBondContact O-N 2.95Å; W78-I82 WeakPolarHBondContact O-CG1 3.31Å; W78-I82 PolarHBondContact O-N 3.42Å; W78-I82 VanDerWaalsContact O-N 3.16Å; W78-Q109 HydrophobicContact CB-CG 3.89Å; W78-Q109 HydrophobicContact CD2-CB 4.4Å; W78-Q109 HydrophobicContact CD2-CG 3.93Å; W78-Q109 HydrophobicContact CG-CG 3.6Å; W78-F114 HydrophobicContact CZ2-CD2 4.47Å; W78-W134 HydrophobicContact CH2-CE3 4.35Å; W78-W134 AromaticContact CH2-CH2 3.98Å; W78-W134 HydrophobicContact CH2-CH2 3.98Å; W78-W134 AromaticContact CH2-CZ3 3.69Å; W78-W134 HydrophobicContact CH2-CZ3 3.69Å; W78-W134 AromaticContact CZ2-CZ3 3.99Å; W78-W134 HydrophobicContact CZ2-CZ3 3.99Å; W78-L137 HydrophobicContact CH2-CB 3.65Å; W78-L137 HydrophobicContact CH2-CD1 4.08Å; W78-L137 HydrophobicContact CH2-CG 4.46Å; W78-L137 HydrophobicContact CZ2-CB 4.38Å; W78-L137 HydrophobicContact CZ2-CD1 3.98Å; W78-L137 HydrophobicContact CZ3-CB 4.11Å
79V85.4Confident81.5Confident42 Ų4274.8 Ų74.826%0.25539%0.386SS..Hα-helixtrans-61.8-42.4174.7171.50000110.4Q75 A76 R81 I82 E83Q75-V79 WeakPolarHBondContact O-CG2 3.43Å; Q75-V79 PolarHBondContact O-N 3.33Å; A76-V79 PolarHBondContact O-N 3.22Å; V79-R81 VanDerWaalsContact C-N 3.33Å; V79-R81 PolarHBondContact O-N 2.99Å; V79-I82 WeakPolarHBondContact O-CB 3.42Å; V79-I82 PolarHBondContact O-N 3.06Å; V79-I82 VanDerWaalsContact O-N 3.11Å; V79-E83 PolarHBondContact O-N 2.67Å
80R86.4Confident82.9Confident171 Ų17181.3 Ų81.365%0.64541%0.41SS*.Hα-helixtrans-59.3-42.5175.8-171.8178.2-179.7154.62.5112.1A76 E77 W78 I82 E83 D84A76-R80 WeakPolarHBondContact O-CB 3.44Å; A76-R80 PolarHBondContact O-N 3.04Å; E77-R80 WeakPolarHBondContact O-CB 3.35Å; E77-R80 PolarHBondContact O-N 3.2Å; W78-R80 VanDerWaalsContact C-N 3.31Å; W78-R80 PolarHBondContact O-N 3.09Å; R80-I82 VanDerWaalsContact C-N 3.28Å; R80-I82 PolarHBondContact O-N 3.28Å; R80-E83 PolarHBondContact O-N 3.45Å; R80-E83 VanDerWaalsContact O-N 3.07Å; R80-D84 PolarHBondContact O-N 3Å
81R89.2Confident84.2Confident69 Ų6977.6 Ų77.626%0.2639%0.393SS..Hα-helixtrans-60.9-36.5174.9-69.5-179.7-168.4-176.31.8112.9E77 W78 V79 E83 A85 P139E77-R81 WeakPolarHBondContact O-CG 3.2Å; E77-R81 PolarHBondContact O-N 3.09Å; E77-R81 IonicContact OE1-CZ 2.69Å; E77-R81 IonicContact OE1-NE 3.66Å; E77-R81 IonicContact OE1-NH2 3.57Å; E77-R81 PolarHBondContact OE1-NH2 2.84Å; W78-R81 PolarHBondContact O-N 2.95Å; V79-R81 VanDerWaalsContact C-N 3.33Å; V79-R81 PolarHBondContact O-N 2.99Å; R81-E83 VanDerWaalsContact C-N 3.34Å; R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 3.45Å; R81-P139 VanDerWaalsContact NH1-CD 3.34Å
82I89.3Confident85.5Confident5 Ų580.9 Ų80.93%0.02640%0.402CS..Hα-helixtrans-65.5-41.2174.4-65.2162.2000110.2W78 V79 R80 A85 I86 I101 R102 V107 L137W78-I82 WeakPolarHBondContact O-CG1 3.31Å; W78-I82 PolarHBondContact O-N 3.42Å; W78-I82 VanDerWaalsContact O-N 3.16Å; V79-I82 WeakPolarHBondContact O-CB 3.42Å; V79-I82 PolarHBondContact O-N 3.06Å; V79-I82 VanDerWaalsContact O-N 3.11Å; R80-I82 VanDerWaalsContact C-N 3.28Å; R80-I82 PolarHBondContact O-N 3.28Å; I82-A85 PolarHBondContact O-N 3.49Å; I82-I86 HydrophobicContact CG2-CD1 4.15Å; I82-I86 VanDerWaalsContact O-CG1 3.28Å; I82-I86 WeakPolarHBondContact O-CG1 3.3Å; I82-I86 PolarHBondContact O-N 3.36Å; I82-I101 HydrophobicContact CD1-CG2 3.93Å; I82-I101 HydrophobicContact CG1-CG2 4.49Å; I82-I101 HydrophobicContact CG2-CG2 4.37Å; I82-R102 HydrophobicContact CG2-CB 4.21Å; I82-V107 HydrophobicContact CD1-CB 4.25Å; I82-V107 HydrophobicContact CD1-CG1 4.22Å; I82-V107 HydrophobicContact CD1-CG2 4.34Å; I82-L137 HydrophobicContact CB-CD2 4.22Å; I82-L137 HydrophobicContact CG1-CD1 4.25Å; I82-L137 HydrophobicContact CG1-CD2 3.68Å
83E87.6Confident86.6Confident72 Ų7283.5 Ų83.534%0.33640%0.403SS..Hα-helixtrans-66.1-44.8176.8-65.9-171.9147.400112.2V79 R80 R81 A85 I86 Q87 R102V79-E83 PolarHBondContact O-N 2.67Å; R80-E83 PolarHBondContact O-N 3.45Å; R80-E83 VanDerWaalsContact O-N 3.07Å; R81-E83 VanDerWaalsContact C-N 3.34Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 3.42Å; E83-I86 WeakPolarHBondContact O-CB 3.3Å; E83-I86 PolarHBondContact O-N 3.05Å; E83-I86 VanDerWaalsContact O-N 3.12Å; E83-Q87 WeakPolarHBondContact O-CG 3.47Å; E83-Q87 PolarHBondContact O-N 3.26Å; E83-R102 IonicContact OE1-CZ 3.76Å; E83-R102 IonicContact OE1-NE 3.15Å; E83-R102 PolarHBondContact OE1-NE 2.96Å; E83-R102 VanDerWaalsContact OE1-NE 3.15Å; E83-R102 IonicContact OE1-NH2 3.43Å; E83-R102 PolarHBondContact OE1-NH2 3.31Å
84D89.6Confident87.4Confident66 Ų6682 Ų8235%0.35339%0.388SS..Hα-helixtrans-60.7-40.6174.8-67-15.1000110.9R80 I86 Q87 N88R80-D84 PolarHBondContact O-N 3Å; D84-I86 PolarHBondContact O-N 2.9Å; D84-Q87 PolarHBondContact O-N 3.49Å; D84-N88 WeakPolarHBondContact O-CB 3.41Å; D84-N88 PolarHBondContact O-N 3.33Å; D84-N88 PolarHBondContact O-ND2 3.46Å
85A91.2Very high87.8Confident11 Ų1179.3 Ų79.39%0.09138%0.379CS..Hα-helixtrans-65.1-36.7175.300000112.1R81 I82 E83 Q87 C89 L98 L137R81-A85 VanDerWaalsContact O-CB 3.27Å; R81-A85 WeakPolarHBondContact O-CB 3.45Å; R81-A85 PolarHBondContact O-N 3.45Å; I82-A85 PolarHBondContact O-N 3.49Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 3.42Å; A85-Q87 VanDerWaalsContact C-N 3.33Å; A85-C89 WeakPolarHBondContact O-CB 3.38Å; A85-C89 PolarHBondContact O-N 3.37Å; A85-C89 VanDerWaalsContact O-N 3.07Å; A85-L98 HydrophobicContact CB-CD1 3.91Å; A85-L98 HydrophobicContact CB-CD2 4.23Å; A85-L137 HydrophobicContact CB-CD2 3.76Å
86I89.5Confident88.1Confident30 Ų3083.2 Ų83.215%0.15440%0.396CS..Hα-helixtrans-64.4-40.5174.9-69.4163.9000110.8I82 E83 D84 L98 Q99 R102I82-I86 HydrophobicContact CG2-CD1 4.15Å; I82-I86 VanDerWaalsContact O-CG1 3.28Å; I82-I86 WeakPolarHBondContact O-CG1 3.3Å; I82-I86 PolarHBondContact O-N 3.36Å; E83-I86 WeakPolarHBondContact O-CB 3.3Å; E83-I86 PolarHBondContact O-N 3.05Å; E83-I86 VanDerWaalsContact O-N 3.12Å; D84-I86 PolarHBondContact O-N 2.9Å; I86-L98 HydrophobicContact CD1-CB 4.25Å; I86-L98 HydrophobicContact CG1-CB 3.49Å; I86-L98 VanDerWaalsContact CG1-CB 3.49Å; I86-L98 HydrophobicContact CG1-CD1 4.45Å; I86-Q99 HydrophobicContact CD1-CG 4.4Å; I86-Q99 HydrophobicContact CG2-CG 4.29Å; I86-R102 HydrophobicContact CD1-CB 3.91Å; I86-R102 HydrophobicContact CD1-CG 4.38Å
87Q88.8Confident88.6Confident152 Ų15280.8 Ų80.871%0.7137%0.374SS*.Hα-helixtrans-70.1-36.2-179.1-70.5178.7-4.600112.8E83 D84 A85E83-Q87 WeakPolarHBondContact O-CG 3.47Å; E83-Q87 PolarHBondContact O-N 3.26Å; D84-Q87 PolarHBondContact O-N 3.49Å; A85-Q87 VanDerWaalsContact C-N 3.33Å
88N88.7Confident88.8Confident129 Ų12976.1 Ų76.169%0.6935%0.352SS*.Hα-helixtrans-96.81.9-176.2-63.8-63000114.1D84 E90D84-N88 WeakPolarHBondContact O-CB 3.41Å; D84-N88 PolarHBondContact O-N 3.33Å; D84-N88 PolarHBondContact O-ND2 3.46Å; N88-E90 PolarHBondContact O-N 3.32Å
89C87.6Confident88.8Confident16 Ų1680.4 Ų80.411%0.10837%0.373CS..  trans-85.3113.2-175.9177.30000112.1A85 S91 H94 L95 L98A85-C89 WeakPolarHBondContact O-CB 3.38Å; A85-C89 PolarHBondContact O-N 3.37Å; A85-C89 VanDerWaalsContact O-N 3.07Å; C89-S91 PolarHBondContact SG-O 3.49Å; C89-H94 WeakPolarHBondContact SG-CB 3.42Å; C89-L95 PolarHBondContact SG-N 2.99Å; C89-L98 HydrophobicContact CB-CD1 4.09Å
90E85.9Confident88.8Confident195 Ų19581 Ų8191%0.91138%0.375SS*.  trans-74.9-32.2175.9-61177.617700112.8N88 K92N88-E90 PolarHBondContact O-N 3.32Å; E90-K92 PolarHBondContact O-N 3.32Å
91S88.6Confident88.9Confident43 Ų4372.9 Ų72.930%0.30134%0.344SS..  trans-75115.2-177169.30000111.7C89 R93 H94 L95C89-S91 PolarHBondContact SG-O 3.49Å; S91-R93 PolarHBondContact O-N 2.97Å; S91-H94 WeakPolarHBondContact CB-ND1 3.36Å; S91-H94 PolarHBondContact O-N 2.95Å; S91-H94 VanDerWaalsContact O-N 3.1Å; S91-H94 PolarHBondContact OG-N 2.92Å; S91-H94 PolarHBondContact OG-ND1 2.84Å; S91-L95 WeakPolarHBondContact O-CB 3.34Å; S91-L95 PolarHBondContact O-N 3.34Å
92K89.4Confident88.7Confident188 Ų18874.1 Ų74.182%0.81735%0.349SS*.Hα-helixtrans-54.3-37.6175.5-66.6-176-178.3177.70112.7E90 F96E90-K92 PolarHBondContact O-N 3.32Å; K92-F96 PolarHBondContact O-N 3.18Å; K92-F96 VanDerWaalsContact O-N 3.1Å
93R88.7Confident88Confident177 Ų17774.8 Ų74.867%0.66836%0.357SS*.Hα-helixtrans-65.5-46.3178.8-176.6-175.8-69148.9-2.1110.8S91 I97S91-R93 PolarHBondContact O-N 2.97Å; R93-I97 HydrophobicContact CG-CD1 4.34Å; R93-I97 WeakPolarHBondContact O-CG1 3.33Å; R93-I97 PolarHBondContact O-N 3.2Å
94H90.7Very high87.7Confident29 Ų2973.7 Ų73.713%0.13435%0.353CS..Hα-helixtrans-70.4-39.7-179.1-62.4150.8000111.8C89 S91 F96 I97 L98 E132 I133 L136C89-H94 WeakPolarHBondContact SG-CB 3.42Å; S91-H94 WeakPolarHBondContact CB-ND1 3.36Å; S91-H94 PolarHBondContact O-N 2.95Å; S91-H94 VanDerWaalsContact O-N 3.1Å; S91-H94 PolarHBondContact OG-N 2.92Å; S91-H94 PolarHBondContact OG-ND1 2.84Å; H94-F96 VanDerWaalsContact C-N 3.34Å; H94-F96 PolarHBondContact O-N 3.3Å; H94-I97 PolarHBondContact O-N 3.37Å; H94-I97 VanDerWaalsContact O-N 3.09Å; H94-L98 WeakPolarHBondContact O-CG 3.46Å; H94-L98 PolarHBondContact O-N 3.02Å; H94-E132 IonicContact CD2-OE2 3.5Å; H94-E132 IonicContact CE1-OE2 3.39Å; H94-E132 PolarHBondContact CE1-OE2 3.26Å; H94-E132 IonicContact NE2-OE2 2.71Å; H94-E132 PolarHBondContact NE2-OE2 3.39Å; H94-I133 HydrophobicContact CB-CD1 3.63Å; H94-L136 HydrophobicContact CB-CD1 4.16Å
95L90.3Very high86.9Confident53 Ų5373.8 Ų73.828%0.27736%0.358SS..Hα-helixtrans-57-47.1175.2-175.3159.8000111.2C89 S91 I97 L98 Q99C89-L95 PolarHBondContact SG-N 2.99Å; S91-L95 WeakPolarHBondContact O-CB 3.34Å; S91-L95 PolarHBondContact O-N 3.34Å; L95-I97 VanDerWaalsContact C-N 3.29Å; L95-I97 PolarHBondContact O-N 3.29Å; L95-L98 PolarHBondContact O-N 3.07Å; L95-Q99 VanDerWaalsContact CD2-CD 3.47Å; L95-Q99 HydrophobicContact CD2-CG 4.1Å; L95-Q99 WeakPolarHBondContact O-CG 3.29Å; L95-Q99 PolarHBondContact O-N 3.12Å
96F87.8Confident86.5Confident129 Ų12979.2 Ų79.257%0.56639%0.386SS*.Hα-helixtrans-58.7-41.2175.8179.8-100.9000112.2K92 H94 N100K92-F96 PolarHBondContact O-N 3.18Å; K92-F96 VanDerWaalsContact O-N 3.1Å; H94-F96 VanDerWaalsContact C-N 3.34Å; H94-F96 PolarHBondContact O-N 3.3Å; F96-N100 WeakPolarHBondContact CD1-ND2 3.5Å; F96-N100 WeakPolarHBondContact CE1-ND2 3.47Å; F96-N100 WeakPolarHBondContact CZ-ND2 2.91Å; F96-N100 PolarHBondContact O-N 2.83Å; F96-N100 PolarHBondContact O-ND2 3.41Å
97I90.6Very high86.4Confident10 Ų1078 Ų785%0.05138%0.379CS..Hα-helixtrans-67.5-45.6178.3-64.1166.3000110.7R93 H94 L95 Q99 N100 I101 M118 I125 T129 I133R93-I97 HydrophobicContact CG-CD1 4.34Å; R93-I97 WeakPolarHBondContact O-CG1 3.33Å; R93-I97 PolarHBondContact O-N 3.2Å; H94-I97 PolarHBondContact O-N 3.37Å; H94-I97 VanDerWaalsContact O-N 3.09Å; L95-I97 VanDerWaalsContact C-N 3.29Å; L95-I97 PolarHBondContact O-N 3.29Å; I97-Q99 PolarHBondContact O-N 3.1Å; I97-N100 WeakPolarHBondContact O-CB 3.4Å; I97-N100 PolarHBondContact O-N 2.83Å; I97-I101 HydrophobicContact CG2-CD1 3.86Å; I97-I101 HydrophobicContact CG2-CG1 4.41Å; I97-I101 VanDerWaalsContact O-CG1 3.3Å; I97-I101 WeakPolarHBondContact O-CG1 3.34Å; I97-I101 PolarHBondContact O-N 2.87Å; I97-M118 HydrophobicContact CG2-CE 3.58Å; I97-I125 HydrophobicContact CB-CD1 4.48Å; I97-I125 HydrophobicContact CD1-CD1 3.88Å; I97-I125 HydrophobicContact CD1-CG1 4.41Å; I97-I125 HydrophobicContact CD1-CG2 4.14Å; I97-I125 HydrophobicContact CG1-CD1 3.76Å; I97-I125 HydrophobicContact CG2-CD1 3.92Å; I97-T129 HydrophobicContact CD1-CG2 3.44Å; I97-T129 VanDerWaalsContact CD1-CG2 3.44Å; I97-I133 HydrophobicContact CB-CD1 3.98Å; I97-I133 HydrophobicContact CB-CG1 4.46Å; I97-I133 HydrophobicContact CD1-CD1 4.42Å; I97-I133 HydrophobicContact CD1-CG1 4.43Å; I97-I133 HydrophobicContact CG2-CD1 3.97Å; I97-I133 HydrophobicContact CG2-CG1 4.02Å
98L91Very high86.5Confident0 Ų072.1 Ų72.10%036%0.355CS..Hα-helixtrans-62.7-39.9179.3-71.1168.4000112.2A85 I86 C89 H94 L95 N100 I101 R102 I133 L136 L137A85-L98 HydrophobicContact CB-CD1 3.91Å; A85-L98 HydrophobicContact CB-CD2 4.23Å; I86-L98 HydrophobicContact CD1-CB 4.25Å; I86-L98 HydrophobicContact CG1-CB 3.49Å; I86-L98 VanDerWaalsContact CG1-CB 3.49Å; I86-L98 HydrophobicContact CG1-CD1 4.45Å; C89-L98 HydrophobicContact CB-CD1 4.09Å; H94-L98 WeakPolarHBondContact O-CG 3.46Å; H94-L98 PolarHBondContact O-N 3.02Å; L95-L98 PolarHBondContact O-N 3.07Å; L98-N100 PolarHBondContact O-N 2.83Å; L98-I101 HydrophobicContact CD2-CD1 4.48Å; L98-I101 WeakPolarHBondContact O-CB 3.3Å; L98-I101 PolarHBondContact O-N 2.74Å; L98-R102 PolarHBondContact O-N 3.04Å; L98-I133 HydrophobicContact CD2-CD1 4.42Å; L98-I133 HydrophobicContact CD2-CG2 3.99Å; L98-I133 HydrophobicContact CG-CD1 4.08Å; L98-L136 HydrophobicContact CD1-CD1 4.4Å; L98-L137 HydrophobicContact CD2-CD1 4.38Å; L98-L137 HydrophobicContact CD2-CD2 3.99Å; L98-L137 HydrophobicContact CD2-CG 4.29Å
99Q87.9Confident86.5Confident102 Ų10269.6 Ų69.648%0.47734%0.339SS..Hα-helixtrans-61.7-42.1174.2-74.4-178.8-9.500112.3I86 L95 I97 I101 R102 G103I86-Q99 HydrophobicContact CD1-CG 4.4Å; I86-Q99 HydrophobicContact CG2-CG 4.29Å; L95-Q99 VanDerWaalsContact CD2-CD 3.47Å; L95-Q99 HydrophobicContact CD2-CG 4.1Å; L95-Q99 WeakPolarHBondContact O-CG 3.29Å; L95-Q99 PolarHBondContact O-N 3.12Å; I97-Q99 PolarHBondContact O-N 3.1Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; Q99-I101 PolarHBondContact O-N 2.79Å; Q99-R102 WeakPolarHBondContact O-CB 3.38Å; Q99-R102 PolarHBondContact O-N 3.38Å; Q99-G103 PolarHBondContact O-N 3.47Å
100N86.3Confident86.6Confident55 Ų5575.7 Ų75.729%0.29436%0.363SS..Hα-helixtrans-64.9-38174.4-72-48.6000111.8F96 I97 L98 G103 N104 Y122F96-N100 WeakPolarHBondContact CD1-ND2 3.5Å; F96-N100 WeakPolarHBondContact CE1-ND2 3.47Å; F96-N100 WeakPolarHBondContact CZ-ND2 2.91Å; F96-N100 PolarHBondContact O-N 2.83Å; F96-N100 PolarHBondContact O-ND2 3.41Å; I97-N100 WeakPolarHBondContact O-CB 3.4Å; I97-N100 PolarHBondContact O-N 2.83Å; L98-N100 PolarHBondContact O-N 2.83Å; N100-G103 PolarHBondContact O-N 3.46Å; N100-N104 PolarHBondContact O-ND2 2.94Å; N100-Y122 VanDerWaalsContact C-OH 3.26Å; N100-Y122 HydrophobicContact CB-CE1 3.85Å; N100-Y122 PolarHBondContact O-OH 3.25Å; N100-Y122 VanDerWaalsContact O-OH 3.04Å
101I88.2Confident86.9Confident0 Ų071 Ų710%034%0.34CS..Hα-helixtrans-62-45.6174.6-68.4167000110.4I82 I97 L98 Q99 G103 N104 V107 F114 M118 Y122 I133I82-I101 HydrophobicContact CD1-CG2 3.93Å; I82-I101 HydrophobicContact CG1-CG2 4.49Å; I82-I101 HydrophobicContact CG2-CG2 4.37Å; I97-I101 HydrophobicContact CG2-CD1 3.86Å; I97-I101 HydrophobicContact CG2-CG1 4.41Å; I97-I101 VanDerWaalsContact O-CG1 3.3Å; I97-I101 WeakPolarHBondContact O-CG1 3.34Å; I97-I101 PolarHBondContact O-N 2.87Å; L98-I101 HydrophobicContact CD2-CD1 4.48Å; L98-I101 WeakPolarHBondContact O-CB 3.3Å; L98-I101 PolarHBondContact O-N 2.74Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; Q99-I101 PolarHBondContact O-N 2.79Å; I101-G103 VanDerWaalsContact C-N 3.25Å; I101-G103 PolarHBondContact O-N 3.39Å; I101-N104 WeakPolarHBondContact O-CB 3.22Å; I101-N104 PolarHBondContact O-N 3.29Å; I101-V107 HydrophobicContact CG2-CB 4.31Å; I101-V107 HydrophobicContact CG2-CG1 3.84Å; I101-V107 HydrophobicContact CG2-CG2 3.53Å; I101-V107 WeakPolarHBondContact O-CG2 3.42Å; I101-F114 HydrophobicContact CD1-CE2 4.19Å; I101-F114 HydrophobicContact CD1-CZ 3.92Å; I101-M118 HydrophobicContact CD1-CE 3.76Å; I101-M118 HydrophobicContact CD1-SD 3.77Å; I101-M118 HydrophobicContact CG1-CE 4.12Å; I101-M118 HydrophobicContact CG1-SD 3.83Å; I101-Y122 HydrophobicContact CG1-CE2 4.41Å; I101-I133 HydrophobicContact CD1-CG2 3.82Å
102R84Confident87.1Confident94 Ų9476.5 Ų76.536%0.35536%0.359SS..Hα-helixtrans-54.4-36.2179.7179.2177.9177.2-112.40.2113.5S47 C49 I82 E83 I86 L98 Q99 N104S47-R102 VanDerWaalsContact CB-NH1 3.26Å; C49-R102 PolarHBondContact SG-O 3.11Å; C49-R102 VanDerWaalsContact SG-O 3.34Å; I82-R102 HydrophobicContact CG2-CB 4.21Å; E83-R102 IonicContact OE1-CZ 3.76Å; E83-R102 IonicContact OE1-NE 3.15Å; E83-R102 PolarHBondContact OE1-NE 2.96Å; E83-R102 VanDerWaalsContact OE1-NE 3.15Å; E83-R102 IonicContact OE1-NH2 3.43Å; E83-R102 PolarHBondContact OE1-NH2 3.31Å; I86-R102 HydrophobicContact CD1-CB 3.91Å; I86-R102 HydrophobicContact CD1-CG 4.38Å; L98-R102 PolarHBondContact O-N 3.04Å; Q99-R102 WeakPolarHBondContact O-CB 3.38Å; Q99-R102 PolarHBondContact O-N 3.38Å; R102-N104 PolarHBondContact O-N 3.5Å; R102-N104 VanDerWaalsContact O-N 3.14Å
103G76.5Confident87.3Confident19 Ų1973.7 Ų73.720%0.19635%0.346CS..THydrogen-bonded Turntrans-63.6-15.5177.300000114.6E46 Q99 N100 I101E46-G103 WeakPolarHBondContact O-CA 3.37Å; Q99-G103 PolarHBondContact O-N 3.47Å; N100-G103 PolarHBondContact O-N 3.46Å; I101-G103 VanDerWaalsContact C-N 3.25Å; I101-G103 PolarHBondContact O-N 3.39Å
104N80.4Confident87.5Confident49 Ų4965.3 Ų65.326%0.26232%0.315SS..  trans-96.1118177.8-61.9-73.1000110.4N100 I101 R102 N106 V107 F117 Y122N100-N104 PolarHBondContact O-ND2 2.94Å; I101-N104 WeakPolarHBondContact O-CB 3.22Å; I101-N104 PolarHBondContact O-N 3.29Å; R102-N104 PolarHBondContact O-N 3.5Å; R102-N104 VanDerWaalsContact O-N 3.14Å; N104-N106 VanDerWaalsContact C-N 3.25Å; N104-N106 PolarHBondContact O-N 3.35Å; N104-V107 HydrophobicContact CB-CG2 3.95Å; N104-V107 WeakPolarHBondContact O-CG2 3.3Å; N104-F117 HydrophobicContact CB-CZ 4.06Å; N104-Y122 PolarHBondContact ND2-OH 3.34Å; N104-Y122 VanDerWaalsContact ND2-OH 3.12Å
105C72.4Confident87.7Confident68 Ų6865.3 Ų65.346%0.45932%0.315SS..THydrogen-bonded Turntrans-73.7-14.1-179.658.70000114.3C49 Q75C49-C105 HydrophobicContact CB-CB 3.74Å; Q75-C105 PolarHBondContact NE2-O 2.75Å
106N83.4Confident87.9Confident126 Ų12666.9 Ų66.967%0.67432%0.323SS*.THydrogen-bonded Turntrans-120.546.8-173.7-168.730.1000112.2N104 P108N104-N106 VanDerWaalsContact C-N 3.25Å; N104-N106 PolarHBondContact O-N 3.35Å; N106-P108 WeakPolarHBondContact O-CD 3.34Å
107V87.2Confident88.2Confident3 Ų362.2 Ų62.22%0.01830%0.303CS..  trans-69.1126.2175.3-179.70000109I82 I101 N104 F114 F117I82-V107 HydrophobicContact CD1-CB 4.25Å; I82-V107 HydrophobicContact CD1-CG1 4.22Å; I82-V107 HydrophobicContact CD1-CG2 4.34Å; I101-V107 HydrophobicContact CG2-CB 4.31Å; I101-V107 HydrophobicContact CG2-CG1 3.84Å; I101-V107 HydrophobicContact CG2-CG2 3.53Å; I101-V107 WeakPolarHBondContact O-CG2 3.42Å; N104-V107 HydrophobicContact CB-CG2 3.95Å; N104-V107 WeakPolarHBondContact O-CG2 3.3Å; V107-F114 HydrophobicContact CG1-CD2 3.8Å; V107-F114 HydrophobicContact CG1-CE2 3.84Å; V107-F117 HydrophobicContact CG1-CE1 4.47Å; V107-F117 HydrophobicContact CG2-CE1 4.41Å; V107-F117 HydrophobicContact CG2-CZ 4.42Å
108P91.1Very high88.3Confident29 Ų2961.7 Ų61.719%0.18830%0.3CS..  trans-67.4138.4179.6-21.533.7000113.1N106 K113 F117N106-P108 WeakPolarHBondContact O-CD 3.34Å; P108-K113 HydrophobicContact CB-CB 3.63Å; P108-K113 HydrophobicContact CG-CB 4.29Å; P108-F117 HydrophobicContact CG-CB 3.82Å; P108-F117 HydrophobicContact CG-CD2 4.47Å; P108-F117 HydrophobicContact CG-CG 4.15Å
109Q89.3Confident88.4Confident77 Ų7767.7 Ų67.736%0.3632%0.323SS..SBendtrans-89.4-3.7179.3-58176.524.900114.4W78 W134W78-Q109 HydrophobicContact CB-CG 3.89Å; W78-Q109 HydrophobicContact CD2-CB 4.4Å; W78-Q109 HydrophobicContact CD2-CG 3.93Å; W78-Q109 HydrophobicContact CG-CG 3.6Å; Q109-W134 WeakPolarHBondContact O-CH2 3.47Å
110K89.5Confident88.6Confident143 Ų14366.9 Ų66.962%0.62233%0.328SS*.SBendtrans-104.7128.2-179.3-64.9-169.3177.7-165.40109.1K112 K113 F114K110-K112 PolarHBondContact O-N 3.47Å; K110-K113 HydrophobicContact CB-CB 4.27Å; K110-K113 HydrophobicContact CB-CD 4.42Å; K110-K113 HydrophobicContact CB-CG 4.27Å; K110-K113 HydrophobicContact CD-CD 4.5Å; K110-K113 CarbonylContact O-C 3.57Å; K110-K113 WeakPolarHBondContact O-CA 3.38Å; K110-K113 WeakPolarHBondContact O-CB 3.34Å; K110-K113 PolarHBondContact O-N 3.47Å; K110-F114 PolarHBondContact O-N 3.41Å
111K91.9Very high88.7Confident96 Ų9670.5 Ų70.542%0.41734%0.341SS..Hα-helixtrans-42.1-60.4-176-174.4172.6176.3176.60113.6K113 F114 E115 W134K111-K113 VanDerWaalsContact C-N 3.28Å; K111-K113 PolarHBondContact O-N 3.46Å; K111-F114 CarbonylContact O-C 3.57Å; K111-F114 WeakPolarHBondContact O-CA 3.36Å; K111-F114 WeakPolarHBondContact O-CB 3.39Å; K111-F114 PolarHBondContact O-N 3.23Å; K111-E115 WeakPolarHBondContact CE-OE1 3.44Å; K111-E115 VanDerWaalsContact CG-OE1 3.29Å; K111-E115 WeakPolarHBondContact CG-OE1 3.13Å; K111-E115 WeakPolarHBondContact O-CG 3.47Å; K111-E115 PolarHBondContact O-N 3.27Å; K111-W134 VanDerWaalsContact CA-CH2 3.48Å; K111-W134 HydrophobicContact CB-CD2 4.18Å; K111-W134 HydrophobicContact CB-CH2 4.07Å; K111-W134 HydrophobicContact CB-CZ2 3.51Å; K111-W134 HydrophobicContact CG-CD2 4.03Å; K111-W134 HydrophobicContact CG-CG 4.25Å; K111-W134 HydrophobicContact CG-CZ2 4.24Å
112K92.7Very high88.7Confident160 Ų16072.7 Ų72.770%0.69635%0.35SS*.Hα-helixtrans-57.2-37.7179.4-171.4171.3-175.2172.40113.5K110 N116K110-K112 PolarHBondContact O-N 3.47Å; K112-N116 WeakPolarHBondContact O-CB 3.36Å; K112-N116 PolarHBondContact O-N 2.96Å; K112-N116 VanDerWaalsContact O-N 3.17Å; K112-N116 PolarHBondContact O-ND2 3.39Å
113K93.5Very high88.8Confident129 Ų12979 Ų7956%0.56137%0.374SS*.Hα-helixtrans-73.7-37177-66.3-169.8176.3-1710111.6P108 K110 K111 F117P108-K113 HydrophobicContact CB-CB 3.63Å; P108-K113 HydrophobicContact CG-CB 4.29Å; K110-K113 HydrophobicContact CB-CB 4.27Å; K110-K113 HydrophobicContact CB-CD 4.42Å; K110-K113 HydrophobicContact CB-CG 4.27Å; K110-K113 HydrophobicContact CD-CD 4.5Å; K110-K113 CarbonylContact O-C 3.57Å; K110-K113 WeakPolarHBondContact O-CA 3.38Å; K110-K113 WeakPolarHBondContact O-CB 3.34Å; K110-K113 PolarHBondContact O-N 3.47Å; K111-K113 VanDerWaalsContact C-N 3.28Å; K111-K113 PolarHBondContact O-N 3.46Å; K113-F117 VanDerWaalsContact O-CB 3.27Å; K113-F117 WeakPolarHBondContact O-CB 3.21Å; K113-F117 PolarHBondContact O-N 3.08Å
114F93.9Very high89.3Confident0 Ų087.9 Ų87.90%041%0.407CS..Hα-helixtrans-64.9-48.7175.7176.7-94.1000110.9W78 I101 V107 K110 K111 N116 F117 M118 I130 I133 W134 L137W78-F114 HydrophobicContact CZ2-CD2 4.47Å; I101-F114 HydrophobicContact CD1-CE2 4.19Å; I101-F114 HydrophobicContact CD1-CZ 3.92Å; V107-F114 HydrophobicContact CG1-CD2 3.8Å; V107-F114 HydrophobicContact CG1-CE2 3.84Å; K110-F114 PolarHBondContact O-N 3.41Å; K111-F114 CarbonylContact O-C 3.57Å; K111-F114 WeakPolarHBondContact O-CA 3.36Å; K111-F114 WeakPolarHBondContact O-CB 3.39Å; K111-F114 PolarHBondContact O-N 3.23Å; F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 2.9Å; F114-F117 CarbonylContact O-C 3.59Å; F114-F117 WeakPolarHBondContact O-CA 3.43Å; F114-F117 WeakPolarHBondContact O-CB 3.46Å; F114-F117 PolarHBondContact O-N 3.44Å; F114-F117 VanDerWaalsContact O-N 3.1Å; F114-M118 HydrophobicContact CD1-CG 3.97Å; F114-M118 HydrophobicContact CD2-CG 4.46Å; F114-M118 HydrophobicContact CE1-CG 3.59Å; F114-M118 HydrophobicContact CE1-SD 4.42Å; F114-M118 HydrophobicContact CE2-CG 4.11Å; F114-M118 HydrophobicContact CE2-SD 4.18Å; F114-M118 HydrophobicContact CG-CG 4.4Å; F114-M118 HydrophobicContact CZ-CG 3.66Å; F114-M118 HydrophobicContact CZ-SD 3.9Å; F114-M118 VanDerWaalsContact O-CG 3.3Å; F114-M118 WeakPolarHBondContact O-CG 3.28Å; F114-M118 PolarHBondContact O-N 3.12Å; F114-I130 HydrophobicContact CD1-CG2 4.46Å; F114-I130 HydrophobicContact CE1-CG2 4.2Å; F114-I133 HydrophobicContact CE1-CG2 4.37Å; F114-I133 HydrophobicContact CZ-CG2 3.92Å; F114-W134 HydrophobicContact CB-CE3 3.75Å; F114-W134 HydrophobicContact CB-CH2 4.44Å; F114-W134 HydrophobicContact CB-CZ3 3.43Å; F114-W134 VanDerWaalsContact CB-CZ3 3.43Å; F114-W134 HydrophobicContact CD1-CD2 4.32Å; F114-W134 AromaticContact CD1-CE3 3.34Å; F114-W134 HydrophobicContact CD1-CE3 3.34Å; F114-W134 AromaticContact CD1-CZ3 3.93Å; F114-W134 HydrophobicContact CD1-CZ3 3.93Å; F114-W134 HydrophobicContact CD2-CE3 4.23Å; F114-W134 HydrophobicContact CD2-CZ3 4.14Å; F114-W134 HydrophobicContact CE1-CB 4.39Å; F114-W134 AromaticContact CE1-CE3 3.92Å; F114-W134 HydrophobicContact CE1-CE3 3.92Å; F114-W134 AromaticContact CG-CE3 3.5Å; F114-W134 HydrophobicContact CG-CE3 3.5Å; F114-W134 AromaticContact CG-CZ3 3.57Å; F114-W134 HydrophobicContact CG-CZ3 3.57Å; F114-L137 HydrophobicContact CE2-CD1 4.13Å; F114-L137 HydrophobicContact CZ-CD1 4.08Å
115E93.9Very high89.7Confident30 Ų3087.1 Ų87.114%0.1440%0.403CS..Hα-helixtrans-57.8-45.6175.7-72.6171.4-167.700111.8K111 F117 M118 R119 I130K111-E115 WeakPolarHBondContact CE-OE1 3.44Å; K111-E115 VanDerWaalsContact CG-OE1 3.29Å; K111-E115 WeakPolarHBondContact CG-OE1 3.13Å; K111-E115 WeakPolarHBondContact O-CG 3.47Å; K111-E115 PolarHBondContact O-N 3.27Å; E115-F117 VanDerWaalsContact C-N 3.34Å; E115-F117 PolarHBondContact O-N 2.93Å; E115-M118 PolarHBondContact O-N 3.37Å; E115-R119 WeakPolarHBondContact O-CB 3.49Å; E115-R119 WeakPolarHBondContact O-CG 3.22Å; E115-R119 PolarHBondContact O-N 3.27Å; E115-I130 HydrophobicContact CG-CG2 4.04Å
116N94.4Very high90.6Very high85 Ų8587.4 Ų87.446%0.45540%0.404SS..Hα-helixtrans-63.5-39.7175.7-74-17.3000112.2K112 F114 S120K112-N116 WeakPolarHBondContact O-CB 3.36Å; K112-N116 PolarHBondContact O-N 2.96Å; K112-N116 VanDerWaalsContact O-N 3.17Å; K112-N116 PolarHBondContact O-ND2 3.39Å; F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 2.9Å; N116-S120 WeakPolarHBondContact O-CB 3.34Å; N116-S120 PolarHBondContact O-N 2.89Å
117F93.9Very high90.9Very high31 Ų3183.7 Ų83.714%0.13639%0.391CS..Hα-helixtrans-60.7-46.2173.5165.4-95.8000111.1N104 V107 P108 K113 F114 E115 S120 K121 Y122N104-F117 HydrophobicContact CB-CZ 4.06Å; V107-F117 HydrophobicContact CG1-CE1 4.47Å; V107-F117 HydrophobicContact CG2-CE1 4.41Å; V107-F117 HydrophobicContact CG2-CZ 4.42Å; P108-F117 HydrophobicContact CG-CB 3.82Å; P108-F117 HydrophobicContact CG-CD2 4.47Å; P108-F117 HydrophobicContact CG-CG 4.15Å; K113-F117 VanDerWaalsContact O-CB 3.27Å; K113-F117 WeakPolarHBondContact O-CB 3.21Å; K113-F117 PolarHBondContact O-N 3.08Å; F114-F117 CarbonylContact O-C 3.59Å; F114-F117 WeakPolarHBondContact O-CA 3.43Å; F114-F117 WeakPolarHBondContact O-CB 3.46Å; F114-F117 PolarHBondContact O-N 3.44Å; F114-F117 VanDerWaalsContact O-N 3.1Å; E115-F117 VanDerWaalsContact C-N 3.34Å; E115-F117 PolarHBondContact O-N 2.93Å; F117-S120 PolarHBondContact O-N 2.9Å; F117-K121 HydrophobicContact CD2-CG 4.14Å; F117-K121 HydrophobicContact CE2-CG 3.89Å; F117-K121 HydrophobicContact CZ-CG 4.3Å; F117-K121 WeakPolarHBondContact O-CB 3.31Å; F117-K121 PolarHBondContact O-N 3.16Å; F117-Y122 HydrophobicContact CE1-CE2 4.3Å
118M93.8Very high91.1Very high0 Ų090.6 Ų90.60%042%0.423CS..Hα-helixtrans-64.6-48.5179.1-68.8-59.1-72.100111.7I97 I101 F114 E115 S120 K121 Y122 I125 I130I97-M118 HydrophobicContact CG2-CE 3.58Å; I101-M118 HydrophobicContact CD1-CE 3.76Å; I101-M118 HydrophobicContact CD1-SD 3.77Å; I101-M118 HydrophobicContact CG1-CE 4.12Å; I101-M118 HydrophobicContact CG1-SD 3.83Å; F114-M118 HydrophobicContact CD1-CG 3.97Å; F114-M118 HydrophobicContact CD2-CG 4.46Å; F114-M118 HydrophobicContact CE1-CG 3.59Å; F114-M118 HydrophobicContact CE1-SD 4.42Å; F114-M118 HydrophobicContact CE2-CG 4.11Å; F114-M118 HydrophobicContact CE2-SD 4.18Å; F114-M118 HydrophobicContact CG-CG 4.4Å; F114-M118 HydrophobicContact CZ-CG 3.66Å; F114-M118 HydrophobicContact CZ-SD 3.9Å; F114-M118 VanDerWaalsContact O-CG 3.3Å; F114-M118 WeakPolarHBondContact O-CG 3.28Å; F114-M118 PolarHBondContact O-N 3.12Å; E115-M118 PolarHBondContact O-N 3.37Å; M118-S120 VanDerWaalsContact C-N 3.28Å; M118-S120 PolarHBondContact O-N 3.38Å; M118-K121 PolarHBondContact O-N 2.89Å; M118-Y122 HydrophobicContact CE-CD2 3.62Å; M118-Y122 HydrophobicContact CE-CE2 4.05Å; M118-Y122 HydrophobicContact CE-CG 4.42Å; M118-Y122 CarbonylContact O-C 3.49Å; M118-Y122 WeakPolarHBondContact O-CA 3.15Å; M118-Y122 WeakPolarHBondContact O-CB 3.11Å; M118-Y122 PolarHBondContact O-N 2.85Å; M118-Y122 HydrophobicContact SD-CD2 3.58Å; M118-Y122 VanDerWaalsContact SD-CD2 3.58Å; M118-Y122 HydrophobicContact SD-CE2 3.68Å; M118-I125 HydrophobicContact CE-CD1 4.02Å; M118-I130 HydrophobicContact CB-CD1 3.86Å; M118-I130 HydrophobicContact CB-CG1 4.09Å; M118-I130 HydrophobicContact CB-CG2 3.96Å; M118-I130 HydrophobicContact CG-CG2 4.12Å
119R93.1Very high91.2Very high126 Ų12689.6 Ų89.648%0.47542%0.416SS..Hα-helixtrans-61.7-35.4176.4-70.2178.6-171.81554.8112.5E115 I130E115-R119 WeakPolarHBondContact O-CB 3.49Å; E115-R119 WeakPolarHBondContact O-CG 3.22Å; E115-R119 PolarHBondContact O-N 3.27Å; R119-I130 HydrophobicContact CG-CD1 3.94Å
120S91.7Very high91.4Very high84 Ų8486.1 Ų86.159%0.58740%0.4SS*.Hα-helixtrans-71.7-45.7179-174.70000112.5N116 F117 M118N116-S120 WeakPolarHBondContact O-CB 3.34Å; N116-S120 PolarHBondContact O-N 2.89Å; F117-S120 PolarHBondContact O-N 2.9Å; M118-S120 VanDerWaalsContact C-N 3.28Å; M118-S120 PolarHBondContact O-N 3.38Å
121K87.1Confident91.5Very high131 Ų13183.4 Ų83.457%0.5739%0.39SS*.Hα-helixtrans-85.7-38-175.1-71.6-68.9-170.31690113.4F117 M118F117-K121 HydrophobicContact CD2-CG 4.14Å; F117-K121 HydrophobicContact CE2-CG 3.89Å; F117-K121 HydrophobicContact CZ-CG 4.3Å; F117-K121 WeakPolarHBondContact O-CB 3.31Å; F117-K121 PolarHBondContact O-N 3.16Å; M118-K121 PolarHBondContact O-N 2.89Å
122Y89.4Confident91.5Very high46 Ų4682.6 Ų82.618%0.1839%0.387CS..  trans-122.167.2-172.5-51.7-75.3000111N100 I101 N104 F117 M118 K124 I125N100-Y122 VanDerWaalsContact C-OH 3.26Å; N100-Y122 HydrophobicContact CB-CE1 3.85Å; N100-Y122 PolarHBondContact O-OH 3.25Å; N100-Y122 VanDerWaalsContact O-OH 3.04Å; I101-Y122 HydrophobicContact CG1-CE2 4.41Å; N104-Y122 PolarHBondContact ND2-OH 3.34Å; N104-Y122 VanDerWaalsContact ND2-OH 3.12Å; F117-Y122 HydrophobicContact CE1-CE2 4.3Å; M118-Y122 HydrophobicContact CE-CD2 3.62Å; M118-Y122 HydrophobicContact CE-CE2 4.05Å; M118-Y122 HydrophobicContact CE-CG 4.42Å; M118-Y122 CarbonylContact O-C 3.49Å; M118-Y122 WeakPolarHBondContact O-CA 3.15Å; M118-Y122 WeakPolarHBondContact O-CB 3.11Å; M118-Y122 PolarHBondContact O-N 2.85Å; M118-Y122 HydrophobicContact SD-CD2 3.58Å; M118-Y122 VanDerWaalsContact SD-CD2 3.58Å; M118-Y122 HydrophobicContact SD-CE2 3.68Å; Y122-K124 PolarHBondContact O-N 3Å; Y122-I125 HydrophobicContact CD1-CD1 4.4Å; Y122-I125 HydrophobicContact CD2-CD1 4.45Å; Y122-I125 HydrophobicContact CG-CD1 3.87Å; Y122-I125 PolarHBondContact O-N 3.2Å; Y122-I125 VanDerWaalsContact O-N 3.09Å
123R84.8Confident91.6Very high227 Ų22775 Ų7586%0.85735%0.354SS*.THydrogen-bonded Turntrans-57.5-21.2-173.9-61.7-176.4-174.7172.82.3115.4
124K88.1Confident91.5Very high206 Ų20669.8 Ų69.890%0.89633%0.331SS*.THydrogen-bonded Turntrans-90.5-5.7-176.9-62.2-174.1178.4-174.60113.7Y122Y122-K124 PolarHBondContact O-N 3Å
125I88.5Confident91.5Very high32 Ų3276 Ų7616%0.16436%0.358CS..SBendtrans-86.4124.1179.8-58.8179.8000108.2I97 M118 Y122 T129 I130I97-I125 HydrophobicContact CB-CD1 4.48Å; I97-I125 HydrophobicContact CD1-CD1 3.88Å; I97-I125 HydrophobicContact CD1-CG1 4.41Å; I97-I125 HydrophobicContact CD1-CG2 4.14Å; I97-I125 HydrophobicContact CG1-CD1 3.76Å; I97-I125 HydrophobicContact CG2-CD1 3.92Å; M118-I125 HydrophobicContact CE-CD1 4.02Å; Y122-I125 HydrophobicContact CD1-CD1 4.4Å; Y122-I125 HydrophobicContact CD2-CD1 4.45Å; Y122-I125 HydrophobicContact CG-CD1 3.87Å; Y122-I125 PolarHBondContact O-N 3.2Å; Y122-I125 VanDerWaalsContact O-N 3.09Å; I125-T129 HydrophobicContact CG2-CG2 3.89Å; I125-I130 HydrophobicContact CB-CG1 4.41Å; I125-I130 HydrophobicContact CG2-CG1 3.77Å
126P90.5Very high91.3Very high74 Ų7478.4 Ų78.448%0.48137%0.372SS..  trans-68.5155.417929.7-33.8000111E128 T129 I130P126-E128 VanDerWaalsContact C-N 3.26Å; P126-E128 PolarHBondContact O-N 3.14Å; P126-T129 WeakPolarHBondContact CG-OG1 3.4Å; P126-T129 PolarHBondContact O-N 3.17Å; P126-I130 PolarHBondContact O-N 3.05Å
127A90.7Very high91.1Very high49 Ų4974.5 Ų74.541%0.40535%0.35SS..Hα-helixtrans-59.2-37.6-175.400000112.5T129 I130 E131A127-T129 PolarHBondContact O-N 3.23Å; A127-I130 WeakPolarHBondContact O-CB 3.31Å; A127-I130 PolarHBondContact O-N 2.82Å; A127-I130 VanDerWaalsContact O-N 3.09Å; A127-E131 PolarHBondContact O-N 3.45Å
128E92.1Very high90.7Very high147 Ų14777.9 Ų77.969%0.68737%0.367SS*.Hα-helixtrans-57.9-48.5176.3-65.7167.2-159.700111.9P126 I130 E131 E132P126-E128 VanDerWaalsContact C-N 3.26Å; P126-E128 PolarHBondContact O-N 3.14Å; E128-I130 VanDerWaalsContact C-N 3.27Å; E128-I130 PolarHBondContact O-N 3.09Å; E128-E131 WeakPolarHBondContact O-CB 3.4Å; E128-E131 PolarHBondContact O-N 3.23Å; E128-E131 VanDerWaalsContact O-N 3.11Å; E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 2.99Å
129T92.2Very high89.6Confident9 Ų981.4 Ų81.46%0.05539%0.39CS..Hα-helixtrans-62.7-34.2175.6-550000111.9I97 I125 P126 A127 E131 E132 I133I97-T129 HydrophobicContact CD1-CG2 3.44Å; I97-T129 VanDerWaalsContact CD1-CG2 3.44Å; I125-T129 HydrophobicContact CG2-CG2 3.89Å; P126-T129 WeakPolarHBondContact CG-OG1 3.4Å; P126-T129 PolarHBondContact O-N 3.17Å; A127-T129 PolarHBondContact O-N 3.23Å; T129-E131 VanDerWaalsContact C-N 3.32Å; T129-E131 PolarHBondContact O-N 3Å; T129-E132 PolarHBondContact O-N 3.28Å; T129-I133 HydrophobicContact CG2-CG1 4.38Å; T129-I133 WeakPolarHBondContact O-CG1 3.41Å; T129-I133 PolarHBondContact O-N 2.91Å
130I92.9Very high87.9Confident4 Ų482.9 Ų82.92%0.02141%0.406CS..Hα-helixtrans-64.5-40.1175.9-62.1171.7000110.7F114 E115 M118 R119 I125 P126 A127 E128 I133 W134F114-I130 HydrophobicContact CD1-CG2 4.46Å; F114-I130 HydrophobicContact CE1-CG2 4.2Å; E115-I130 HydrophobicContact CG-CG2 4.04Å; M118-I130 HydrophobicContact CB-CD1 3.86Å; M118-I130 HydrophobicContact CB-CG1 4.09Å; M118-I130 HydrophobicContact CB-CG2 3.96Å; M118-I130 HydrophobicContact CG-CG2 4.12Å; R119-I130 HydrophobicContact CG-CD1 3.94Å; I125-I130 HydrophobicContact CB-CG1 4.41Å; I125-I130 HydrophobicContact CG2-CG1 3.77Å; P126-I130 PolarHBondContact O-N 3.05Å; A127-I130 WeakPolarHBondContact O-CB 3.31Å; A127-I130 PolarHBondContact O-N 2.82Å; A127-I130 VanDerWaalsContact O-N 3.09Å; E128-I130 VanDerWaalsContact C-N 3.27Å; E128-I130 PolarHBondContact O-N 3.09Å; I130-I133 PolarHBondContact O-N 3.5Å; I130-W134 PolarHBondContact O-N 3.08Å
131E93Very high85.7Confident86 Ų8688.4 Ų88.440%0.40242%0.42SS..Hα-helixtrans-67.6-41176.1-69.6-169.5-179.600112.5A127 E128 T129 I133 W134 K135A127-E131 PolarHBondContact O-N 3.45Å; E128-E131 WeakPolarHBondContact O-CB 3.4Å; E128-E131 PolarHBondContact O-N 3.23Å; E128-E131 VanDerWaalsContact O-N 3.11Å; T129-E131 VanDerWaalsContact C-N 3.32Å; T129-E131 PolarHBondContact O-N 3Å; E131-I133 VanDerWaalsContact C-N 3.35Å; E131-W134 WeakPolarHBondContact O-CB 3.27Å; E131-W134 PolarHBondContact O-N 3.21Å; E131-K135 WeakPolarHBondContact O-CG 3.46Å; E131-K135 PolarHBondContact O-N 2.82Å
132E92.5Very high83.5Confident78 Ų7890.3 Ų90.336%0.36443%0.431SS..Hα-helixtrans-58.3-47.3173.6-69.4169.716900111.1H94 E128 T129 W134 K135 L136H94-E132 IonicContact CD2-OE2 3.5Å; H94-E132 IonicContact CE1-OE2 3.39Å; H94-E132 PolarHBondContact CE1-OE2 3.26Å; H94-E132 IonicContact NE2-OE2 2.71Å; H94-E132 PolarHBondContact NE2-OE2 3.39Å; E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 2.99Å; T129-E132 PolarHBondContact O-N 3.28Å; E132-W134 VanDerWaalsContact C-N 3.3Å; E132-W134 PolarHBondContact O-N 2.93Å; E132-K135 WeakPolarHBondContact O-CB 3.41Å; E132-K135 PolarHBondContact O-N 2.88Å; E132-K135 VanDerWaalsContact O-N 3.17Å; E132-L136 WeakPolarHBondContact O-CG 3.17Å; E132-L136 PolarHBondContact O-N 2.84Å; E132-L136 VanDerWaalsContact O-N 3.08Å
133I92.9Very high80.9Confident0 Ų097.8 Ų97.80%046%0.464CS..Hα-helixtrans-61.1-40.8175.9-64.9-73.2000111H94 I97 L98 I101 F114 T129 I130 E131 L136 L137H94-I133 HydrophobicContact CB-CD1 3.63Å; I97-I133 HydrophobicContact CB-CD1 3.98Å; I97-I133 HydrophobicContact CB-CG1 4.46Å; I97-I133 HydrophobicContact CD1-CD1 4.42Å; I97-I133 HydrophobicContact CD1-CG1 4.43Å; I97-I133 HydrophobicContact CG2-CD1 3.97Å; I97-I133 HydrophobicContact CG2-CG1 4.02Å; L98-I133 HydrophobicContact CD2-CD1 4.42Å; L98-I133 HydrophobicContact CD2-CG2 3.99Å; L98-I133 HydrophobicContact CG-CD1 4.08Å; I101-I133 HydrophobicContact CD1-CG2 3.82Å; F114-I133 HydrophobicContact CE1-CG2 4.37Å; F114-I133 HydrophobicContact CZ-CG2 3.92Å; T129-I133 HydrophobicContact CG2-CG1 4.38Å; T129-I133 WeakPolarHBondContact O-CG1 3.41Å; T129-I133 PolarHBondContact O-N 2.91Å; I130-I133 PolarHBondContact O-N 3.5Å; E131-I133 VanDerWaalsContact C-N 3.35Å; I133-L136 PolarHBondContact O-N 2.95Å; I133-L137 HydrophobicContact CG2-CD1 4.27Å; I133-L137 WeakPolarHBondContact O-CG 3.45Å; I133-L137 PolarHBondContact O-N 3.28Å
134W93.2Very high78.4Confident20 Ų2092.7 Ų92.78%0.07646%0.458CS..Hα-helixtrans-62.4-42.7175.7-178.1-93.4000111.8W78 Q109 K111 F114 I130 E131 E132 L136 L137 E138W78-W134 HydrophobicContact CH2-CE3 4.35Å; W78-W134 AromaticContact CH2-CH2 3.98Å; W78-W134 HydrophobicContact CH2-CH2 3.98Å; W78-W134 AromaticContact CH2-CZ3 3.69Å; W78-W134 HydrophobicContact CH2-CZ3 3.69Å; W78-W134 AromaticContact CZ2-CZ3 3.99Å; W78-W134 HydrophobicContact CZ2-CZ3 3.99Å; Q109-W134 WeakPolarHBondContact O-CH2 3.47Å; K111-W134 VanDerWaalsContact CA-CH2 3.48Å; K111-W134 HydrophobicContact CB-CD2 4.18Å; K111-W134 HydrophobicContact CB-CH2 4.07Å; K111-W134 HydrophobicContact CB-CZ2 3.51Å; K111-W134 HydrophobicContact CG-CD2 4.03Å; K111-W134 HydrophobicContact CG-CG 4.25Å; K111-W134 HydrophobicContact CG-CZ2 4.24Å; F114-W134 HydrophobicContact CB-CE3 3.75Å; F114-W134 HydrophobicContact CB-CH2 4.44Å; F114-W134 HydrophobicContact CB-CZ3 3.43Å; F114-W134 VanDerWaalsContact CB-CZ3 3.43Å; F114-W134 HydrophobicContact CD1-CD2 4.32Å; F114-W134 AromaticContact CD1-CE3 3.34Å; F114-W134 HydrophobicContact CD1-CE3 3.34Å; F114-W134 AromaticContact CD1-CZ3 3.93Å; F114-W134 HydrophobicContact CD1-CZ3 3.93Å; F114-W134 HydrophobicContact CD2-CE3 4.23Å; F114-W134 HydrophobicContact CD2-CZ3 4.14Å; F114-W134 HydrophobicContact CE1-CB 4.39Å; F114-W134 AromaticContact CE1-CE3 3.92Å; F114-W134 HydrophobicContact CE1-CE3 3.92Å; F114-W134 AromaticContact CG-CE3 3.5Å; F114-W134 HydrophobicContact CG-CE3 3.5Å; F114-W134 AromaticContact CG-CZ3 3.57Å; F114-W134 HydrophobicContact CG-CZ3 3.57Å; I130-W134 PolarHBondContact O-N 3.08Å; E131-W134 WeakPolarHBondContact O-CB 3.27Å; E131-W134 PolarHBondContact O-N 3.21Å; E132-W134 VanDerWaalsContact C-N 3.3Å; E132-W134 PolarHBondContact O-N 2.93Å; W134-L136 VanDerWaalsContact C-N 3.28Å; W134-L136 PolarHBondContact O-N 2.9Å; W134-L137 PolarHBondContact O-N 3.17Å; W134-E138 PolarHBondContact O-N 2.77Å
135K92.3Very high76Confident131 Ų13187.9 Ų87.957%0.5745%0.451SS*.Hα-helixtrans-60.6-35.4176.8-72.2171.7-176.1173.70112.2E131 E132 L137E131-K135 WeakPolarHBondContact O-CG 3.46Å; E131-K135 PolarHBondContact O-N 2.82Å; E132-K135 WeakPolarHBondContact O-CB 3.41Å; E132-K135 PolarHBondContact O-N 2.88Å; E132-K135 VanDerWaalsContact O-N 3.17Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 3.25Å
136L90.5Very high73.4Confident81 Ų8191.6 Ų91.642%0.42448%0.479SS..Hα-helixtrans-67.4-28.1174.5-65.6175.1000113.2H94 L98 E132 I133 W134H94-L136 HydrophobicContact CB-CD1 4.16Å; L98-L136 HydrophobicContact CD1-CD1 4.4Å; E132-L136 WeakPolarHBondContact O-CG 3.17Å; E132-L136 PolarHBondContact O-N 2.84Å; E132-L136 VanDerWaalsContact O-N 3.08Å; I133-L136 PolarHBondContact O-N 2.95Å; W134-L136 VanDerWaalsContact C-N 3.28Å; W134-L136 PolarHBondContact O-N 2.9Å
137L89.6Confident70.8Confident2 Ų295.4 Ų95.41%0.0150%0.496CS..Hα-helixtrans-95.3-17.4-178.7-63176000113.5W78 I82 A85 L98 F114 I133 W134 K135W78-L137 HydrophobicContact CH2-CB 3.65Å; W78-L137 HydrophobicContact CH2-CD1 4.08Å; W78-L137 HydrophobicContact CH2-CG 4.46Å; W78-L137 HydrophobicContact CZ2-CB 4.38Å; W78-L137 HydrophobicContact CZ2-CD1 3.98Å; W78-L137 HydrophobicContact CZ3-CB 4.11Å; I82-L137 HydrophobicContact CB-CD2 4.22Å; I82-L137 HydrophobicContact CG1-CD1 4.25Å; I82-L137 HydrophobicContact CG1-CD2 3.68Å; A85-L137 HydrophobicContact CB-CD2 3.76Å; L98-L137 HydrophobicContact CD2-CD1 4.38Å; L98-L137 HydrophobicContact CD2-CD2 3.99Å; L98-L137 HydrophobicContact CD2-CG 4.29Å; F114-L137 HydrophobicContact CE2-CD1 4.13Å; F114-L137 HydrophobicContact CZ-CD1 4.08Å; I133-L137 HydrophobicContact CG2-CD1 4.27Å; I133-L137 WeakPolarHBondContact O-CG 3.45Å; I133-L137 PolarHBondContact O-N 3.28Å; W134-L137 PolarHBondContact O-N 3.17Å; K135-L137 VanDerWaalsContact C-N 3.3Å; K135-L137 PolarHBondContact O-N 3.25Å
138E85.7Confident68.2Low102 Ų10299 Ų9948%0.47751%0.512SS..SBendtrans-64.9137.7178.2-161.9162.8-152.500109.2W134 L140W134-E138 PolarHBondContact O-N 2.77Å; E138-L140 PolarHBondContact O-N 2.99Å
139P70.9Confident65.3Low74 Ų7497.3 Ų97.348%0.48151%0.514SS..  trans-60.7113.7177.920.7-25.3000108.2R81 K141R81-P139 VanDerWaalsContact NH1-CD 3.34Å; P139-K141 PolarHBondContact O-N 2.8Å
140L57.6Low62.8Low157 Ų157105.6 Ų105.682%0.82256%0.557SS**  trans-54111170.7-66.3176.6000106.7E138 Q142E138-L140 PolarHBondContact O-N 2.99Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.26Å
141K45.5Very low60Low201 Ų201115.1 Ų115.187%0.87460%0.598SS**  trans-61.2105166.6-70.4-175.2179.4-178.10105.1P139 K143P139-K141 PolarHBondContact O-N 2.8Å; K141-K143 PolarHBondContact O-N 3.06Å
142Q40.4Very low57.3Low171 Ų171115.1 Ų115.180%0.79961%0.613SS**  trans-54.4103.8174.9-72.9177.3-10.400107.8L140 T144L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.26Å; Q142-T144 HydrophobicContact CB-CG2 4.48Å; Q142-T144 PolarHBondContact O-N 2.96Å; Q142-T144 VanDerWaalsContact O-N 3.09Å
143K34.4Very low54.8Low203 Ų203120.4 Ų120.488%0.88364%0.638SS**  trans-71.791.4154.3-84-176.5174.5-178.40104.8K141 S145K141-K143 PolarHBondContact O-N 3.06Å; K143-S145 PolarHBondContact O-N 2.91Å
144T32Very low51.8Low120 Ų120129.1 Ų129.174%0.73668%0.676SS**  trans-64.6111.2167.537.50000108Q142Q142-T144 HydrophobicContact CB-CG2 4.48Å; Q142-T144 PolarHBondContact O-N 2.96Å; Q142-T144 VanDerWaalsContact O-N 3.09Å
145S38.3Very low48.9Very low105 Ų105139.8 Ų139.873%0.73472%0.718SS**  trans-144112158.3-63.90000107.9K143K143-S145 PolarHBondContact O-N 2.91Å
146S34.5Very low45.9Very low109 Ų109137.5 Ų137.576%0.76272%0.718SS**  trans95.4108.7152.9-50.60000119.1
147N36Very low43.5Very low155 Ų155139.1 Ų139.183%0.82974%0.737SS**  trans72.9126.6133.1-82.5-6.9000118.5
148V35Very low40.7Very low124 Ų124144.3 Ų144.375%0.75277%0.773SS**  cis-159.2153.97.1160.60000106.6
149P32.2Very low38.1Very low112 Ų112146.5 Ų146.573%0.72779%0.788SS**  trans-103.6151.4-165.231.2-17.7000115.5
150L39.3Very low36.4Very low182 Ų182148.6 Ų148.695%0.95380%0.799SS**  trans-127.2125.8163.4-87.2160.8000111.7
151K34.4Very low35.2Very low204 Ų204146.8 Ų146.889%0.88780%0.795SS**  trans-73.5151.2-176.6-66.6163.1170.8171.90112.2
152A36.9Very low34.7Very low87 Ų87144.5 Ų144.572%0.71979%0.792SS**  -173.8115.2119.900000113.5
153Q38.4Very low34.3Very low188 Ų188143.2 Ų143.288%0.87979%0.79SS**  trans55.6107.1133.1-58172.1-7.800118.2
154K29.9Very low34.3Very low184 Ų184141.7 Ų141.780%0.879%0.786SS**  67.4103.152.6-145.1-174.9-161.7-174.70114.1
155Y32.2Very low34.3Very low243 Ų243140.6 Ų140.695%0.95378%0.781SS**  trans-148.1134.2138.6-118.9-87.4000110.6
156S31Very low34.2Very low84 Ų84144 Ų14459%0.58778%0.783SS**  trans-119.3146.5-168.2-41.80000109.6
157S38.5Very low34.2Very low115 Ų115144.2 Ų144.280%0.80478%0.78SS**  trans-168.4101.9152.2-71.10000105.8
158S31.7Very low33.9Very low110 Ų110146.6 Ų146.677%0.76978%0.783SS**  67.395.961.4740000115.3
159D31.7Very low33.9Very low149 Ų149152.2 Ų152.280%0.79779%0.791SS**  trans-171.3109.8134.5-116.9-9.2000107.7
160V34.5Very low33.9Very low117 Ų117155.3 Ų155.371%0.70980%0.795SS**  62.3118.783-179.60000109.2
161T32.2Very low33.4Very low120 Ų120154.7 Ų154.774%0.73679%0.785SS**  cis-173.4146.322.219.90000107
162N35.4Very low33.4Very low152 Ų152151.7 Ų151.781%0.81378%0.778SS**  167.1140.5107.9-136.1-5.9000112.2
163D32.4Very low33.1Very low144 Ų144154.3 Ų154.377%0.7778%0.775SS**  trans-59.3148.7-174.3-70.4-85000116.9
164E33.3Very low32.9Very low171 Ų171152.3 Ų152.380%0.79977%0.77SS**  178.9134.8107.4-164.7166.8124.100110.9
165P31.8Very low32.9Very low97 Ų97149.3 Ų149.363%0.6377%0.768SS**  trans-95.8170.3-167.437.8-32.1000112.5
166K37.1Very low33Very low178 Ų178143.7 Ų143.777%0.77476%0.762SS**  trans137.4141.5148.6-74.5153.9-170.31680111.6
167T34.2Very low32.9Very low113 Ų113148 Ų14869%0.69377%0.773SS**  cis-167.5134.3-14.5-72.60000104.7R169T167-R169 PolarHBondContact O-N 3.39Å
168K29.3Very low32.5Very low205 Ų205147 Ų14789%0.89177%0.772SS**  trans-57.3126.1168.4-76.3167.7175169.20109.4
169R34.6Very low32.5Very low242 Ų242152.3 Ų152.391%0.91378%0.777SS**  trans-122.8117.1159.2-82.8-173.6124.5174.4-1.8111.4T167T167-R169 PolarHBondContact O-N 3.39Å
170Q32.1Very low32.5Very low176 Ų176151.7 Ų151.782%0.82277%0.774SS**  trans-56.8139.1171.4-71.9150.4-44.300110.3L172Q170-L172 PolarHBondContact O-N 2.84Å
171K30.6Very low32.3Very low170 Ų170153 Ų15374%0.73978%0.777SS**  trans-9292.9167.9-170.9-175.8-174-142.30107.2E173K171-E173 HydrophobicContact CG-CG 4.37Å; K171-E173 IonicContact NZ-OE1 2.68Å; K171-E173 PolarHBondContact NZ-OE1 2.95Å
172L33.7Very low32.1Very low141 Ų141153.5 Ų153.574%0.73878%0.784SS**  trans-78.6122.8158.4-101.2110.5000107.5Q170Q170-L172 PolarHBondContact O-N 2.84Å
173E30.7Very low32Very low141 Ų141154.1 Ų154.166%0.65979%0.786SS**  trans-95.2115.4167.6-64.1177.9162.400104.5K171K171-E173 HydrophobicContact CG-CG 4.37Å; K171-E173 IonicContact NZ-OE1 2.68Å; K171-E173 PolarHBondContact NZ-OE1 2.95Å
174D34.8Very low32.2Very low146 Ų146152.1 Ų152.178%0.78178%0.781SS**  trans-140.6141159.5-92.2-37.7000111
175T28.4Very low32.1Very low122 Ų122151.8 Ų151.875%0.74878%0.779SS**  trans-78.3139.8-174.2-48.40000109
176C34.4Very low32.3Very low124 Ų124154.8 Ų154.884%0.83879%0.79SS**  trans-148.9122.8152.758.80000110.4
177E28.4Very low32.7Very low174 Ų174155.3 Ų155.381%0.81380%0.795SS**  trans-70160.5168.4-70145.6156.400110.6
178A30.9Very low33.9Very low94 Ų94151.7 Ų151.778%0.77777%0.774SS**  trans58.7103.8159.700000118.2
179Y32.5Very low35.6Very low222 Ų222148.8 Ų148.887%0.87176%0.763SS**  trans-154.8112.1131.3-140.2-104.1000110.5
180N30.2Very low37.3Very low137 Ų137138 Ų13873%0.73372%0.724SS**  trans-74.4153.1159.5-76.2-44.1000108.6
181N31.3Very low39.5Very low144 Ų144130.4 Ų130.477%0.7769%0.689SS**  trans8795.2167.3-51.4-32.7000117.1
182C28.5Very low42Very low131 Ų131123.8 Ų123.889%0.88566%0.663SS**  trans-167.8105.9130.9-110.20000110.4
183L33Very low44.4Very low164 Ų164120 Ų12086%0.85964%0.644SS**  trans-96.4150.2143.6-11098.8000106
184P36.5Very low47Very low102 Ų102122.2 Ų122.266%0.66265%0.646SS**  -147168.663.734.6-12.2000117.1
185E30Very low49.5Very low165 Ų165116.7 Ų116.777%0.77162%0.615SS**SBendtrans68.571.7147.2-69160.2-134.300119.7
186N37.1Very low52.4Low160 Ų160110.9 Ų110.986%0.85658%0.58SS**  trans-171.288.4134.7-95.6-34000106.2C188N186-C188 PolarHBondContact O-N 2.96Å
187E45.2Very low55Low189 Ų189107 Ų10788%0.88355%0.549SS*.  trans-62.9100.5177-84.1-169.6148.800109.1H189E187-H189 PolarHBondContact O-N 3.42Å
188C59.3Low57.8Low36 Ų36102.9 Ų102.924%0.24353%0.533CS..  trans-56.2108163.6-1780000106.6N186 L190 M191N186-C188 PolarHBondContact O-N 2.96Å; C188-L190 PolarHBondContact O-N 3.08Å; C188-M191 HydrophobicContact CB-CG 4.21Å; C188-M191 WeakPolarHBondContact O-CA 3.42Å; C188-M191 WeakPolarHBondContact O-CB 3.34Å; C188-M191 PolarHBondContact O-N 3.4Å
189H65.5Low60.7Low144 Ų14498.6 Ų98.667%0.66750%0.497SS*.G310 helixtrans-49.2-26.7-179.5180-90.5000112.9E187 M191 S192E187-H189 PolarHBondContact O-N 3.42Å; H189-M191 VanDerWaalsContact C-N 3.27Å; H189-M191 PolarHBondContact O-N 3.5Å; H189-S192 WeakPolarHBondContact O-CB 3.45Å; H189-S192 PolarHBondContact O-N 3.11Å; H189-S192 VanDerWaalsContact O-N 3.13Å; H189-S192 PolarHBondContact O-OG 2.74Å
190L70.4Confident63.4Low16 Ų1688 Ų888%0.08446%0.456CS..G310 helixtrans-74.5-11.2177.4-59.7168.5000114.5C188 H195 I216 T219 Y220 S223C188-L190 PolarHBondContact O-N 3.08Å; L190-H195 PolarHBondContact O-CD2 3.19Å; L190-I216 WeakPolarHBondContact O-CG2 3.23Å; L190-T219 HydrophobicContact CD2-CG2 3.48Å; L190-T219 VanDerWaalsContact CD2-CG2 3.48Å; L190-Y220 VanDerWaalsContact CD1-CA 3.42Å; L190-Y220 HydrophobicContact CD1-CD2 4.19Å; L190-S223 WeakPolarHBondContact CD1-OG 3.3Å
191M78.3Confident66.2Low17 Ų1785.4 Ų85.48%0.08445%0.445CS..G310 helixtrans-103.16.2170.1-61-73.39300111.7C188 H189 I216 F236 K239 L240C188-M191 HydrophobicContact CB-CG 4.21Å; C188-M191 WeakPolarHBondContact O-CA 3.42Å; C188-M191 WeakPolarHBondContact O-CB 3.34Å; C188-M191 PolarHBondContact O-N 3.4Å; H189-M191 VanDerWaalsContact C-N 3.27Å; H189-M191 PolarHBondContact O-N 3.5Å; M191-I216 HydrophobicContact CE-CG2 3.66Å; M191-F236 HydrophobicContact CE-CD2 4.48Å; M191-F236 HydrophobicContact CE-CE1 4.45Å; M191-F236 HydrophobicContact CE-CE2 3.59Å; M191-F236 HydrophobicContact CE-CZ 3.57Å; M191-F236 HydrophobicContact SD-CE2 4.42Å; M191-K239 HydrophobicContact SD-CG 4.31Å; M191-L240 HydrophobicContact CE-CB 4.42Å; M191-L240 HydrophobicContact CE-CD1 4.07Å; M191-L240 HydrophobicContact SD-CB 4.28Å
192S82.3Confident68.9Low30 Ų3085.4 Ų85.421%0.2144%0.44CS..SBendtrans-65.8145.9172.169.60000110.4H189 R194 H195 I196H189-S192 WeakPolarHBondContact O-CB 3.45Å; H189-S192 PolarHBondContact O-N 3.11Å; H189-S192 VanDerWaalsContact O-N 3.13Å; H189-S192 PolarHBondContact O-OG 2.74Å; S192-R194 PolarHBondContact O-N 3.2Å; S192-H195 PolarHBondContact O-N 3.15Å; S192-H195 WeakPolarHBondContact OG-CB 3.49Å; S192-H195 PolarHBondContact OG-N 3.39Å; S192-I196 WeakPolarHBondContact O-CG1 3.45Å; S192-I196 PolarHBondContact O-N 3.42Å
193L84.6Confident71.7Confident62 Ų6282.4 Ų82.433%0.32542%0.415SS..Hα-helixtrans-56.6-38.5176.8-64.1172.5000111.4I196 Q197 V243 S247 Y249 F250L193-I196 PolarHBondContact O-N 3.15Å; L193-Q197 WeakPolarHBondContact O-CG 3.38Å; L193-Q197 PolarHBondContact O-N 3.18Å; L193-V243 HydrophobicContact CD2-CG1 3.76Å; L193-S247 WeakPolarHBondContact CD2-OG 3.2Å; L193-Y249 HydrophobicContact CD1-CD2 3.89Å; L193-Y249 HydrophobicContact CD1-CE2 3.88Å; L193-F250 HydrophobicContact CD2-CE2 3.8Å
194R84.7Confident74Confident188 Ų18877.4 Ų77.471%0.70940%0.403SS*.Hα-helixtrans-63.6-47-179.9-160.9163-132.11672.4112.3S192 I196 Q197 D198S192-R194 PolarHBondContact O-N 3.2Å; R194-I196 VanDerWaalsContact C-N 3.29Å; R194-I196 PolarHBondContact O-N 3.32Å; R194-Q197 WeakPolarHBondContact O-CB 3.49Å; R194-Q197 PolarHBondContact O-N 2.93Å; R194-D198 VanDerWaalsContact O-CG 3.23Å; R194-D198 PolarHBondContact O-N 3.39Å
195H87.8Confident76.1Confident29 Ų2973.9 Ų73.913%0.13439%0.385CS..Hα-helixtrans-62-38.2175.5-175.164.5000112.3L190 S192 D198 V199L190-H195 PolarHBondContact O-CD2 3.19Å; S192-H195 PolarHBondContact O-N 3.15Å; S192-H195 WeakPolarHBondContact OG-CB 3.49Å; S192-H195 PolarHBondContact OG-N 3.39Å; H195-D198 PolarHBondContact O-N 3.36Å; H195-V199 VanDerWaalsContact O-CG2 3.27Å; H195-V199 WeakPolarHBondContact O-CG2 3.46Å; H195-V199 PolarHBondContact O-N 3.04Å; H195-V199 VanDerWaalsContact O-N 3.07Å
196I89.7Confident78.9Confident0 Ų073 Ų730%038%0.379CS..Hα-helixtrans-65.9-40.7177.2-61.6168000110.6S192 L193 R194 L200 L212 I216 L240 V243 I244 F250S192-I196 WeakPolarHBondContact O-CG1 3.45Å; S192-I196 PolarHBondContact O-N 3.42Å; L193-I196 PolarHBondContact O-N 3.15Å; R194-I196 VanDerWaalsContact C-N 3.29Å; R194-I196 PolarHBondContact O-N 3.32Å; I196-L200 VanDerWaalsContact O-CB 3.29Å; I196-L200 WeakPolarHBondContact O-CB 3.48Å; I196-L200 PolarHBondContact O-N 2.65Å; I196-L212 HydrophobicContact CG2-CD2 4.08Å; I196-I216 HydrophobicContact CG1-CD1 4.02Å; I196-L240 HydrophobicContact CD1-CD1 3.86Å; I196-L240 HydrophobicContact CG1-CD1 4.18Å; I196-V243 HydrophobicContact CD1-CB 4.26Å; I196-V243 HydrophobicContact CD1-CG1 3.48Å; I196-V243 VanDerWaalsContact CD1-CG1 3.48Å; I196-I244 HydrophobicContact CG2-CG1 4.49Å; I196-F250 HydrophobicContact CB-CE1 4.36Å; I196-F250 HydrophobicContact CB-CE2 4.25Å; I196-F250 HydrophobicContact CB-CZ 3.65Å; I196-F250 HydrophobicContact CG2-CD1 4.48Å; I196-F250 HydrophobicContact CG2-CE1 3.67Å; I196-F250 HydrophobicContact CG2-CE2 3.91Å; I196-F250 HydrophobicContact CG2-CZ 3.33Å
197Q88.9Confident81.4Confident43 Ų4365.7 Ų65.720%0.20134%0.341CS..Hα-helixtrans-62.3-46.2174.3-74.4171.5-24.300112L193 R194 V199 L200 T201 F250L193-Q197 WeakPolarHBondContact O-CG 3.38Å; L193-Q197 PolarHBondContact O-N 3.18Å; R194-Q197 WeakPolarHBondContact O-CB 3.49Å; R194-Q197 PolarHBondContact O-N 2.93Å; Q197-V199 PolarHBondContact O-N 3.23Å; Q197-L200 PolarHBondContact O-N 2.97Å; Q197-T201 WeakPolarHBondContact O-CB 3.5Å; Q197-T201 PolarHBondContact O-N 3.25Å; Q197-T201 PolarHBondContact O-OG1 3.03Å; Q197-F250 HydrophobicContact CG-CE1 3.84Å; Q197-F250 HydrophobicContact CG-CZ 3.76Å
198D88Confident83.6Confident87 Ų8759.2 Ų59.247%0.46531%0.314SS..Hα-helixtrans-59.2-49179.1-64.8-25.8000110.7R194 H195 L200 T201 E202R194-D198 VanDerWaalsContact O-CG 3.23Å; R194-D198 PolarHBondContact O-N 3.39Å; H195-D198 PolarHBondContact O-N 3.36Å; D198-L200 VanDerWaalsContact C-N 3.3Å; D198-L200 PolarHBondContact O-N 3.34Å; D198-T201 WeakPolarHBondContact O-CB 3.31Å; D198-T201 PolarHBondContact O-N 3.16Å; D198-E202 WeakPolarHBondContact O-CG 3.5Å; D198-E202 PolarHBondContact O-N 3.42Å
199V90.2Very high85.2Confident5 Ų558.5 Ų58.53%0.0331%0.307CS..Hα-helixtrans-65.2-34.9178.6179.90000111.6H195 Q197 L203 L212 Q215 I216H195-V199 VanDerWaalsContact O-CG2 3.27Å; H195-V199 WeakPolarHBondContact O-CG2 3.46Å; H195-V199 PolarHBondContact O-N 3.04Å; H195-V199 VanDerWaalsContact O-N 3.07Å; Q197-V199 PolarHBondContact O-N 3.23Å; V199-L203 HydrophobicContact CG1-CD1 4.23Å; V199-L203 WeakPolarHBondContact O-CD1 3.49Å; V199-L203 WeakPolarHBondContact O-CG 3.38Å; V199-L203 PolarHBondContact O-N 2.91Å; V199-L203 VanDerWaalsContact O-N 3.16Å; V199-L212 HydrophobicContact CB-CD1 4.04Å; V199-L212 HydrophobicContact CG1-CD1 3.66Å; V199-Q215 HydrophobicContact CG1-CB 3.82Å; V199-Q215 HydrophobicContact CG1-CG 3.66Å; V199-I216 HydrophobicContact CB-CG1 4.39Å; V199-I216 HydrophobicContact CG1-CG1 4.16Å; V199-I216 HydrophobicContact CG2-CG1 4.26Å
200L90.5Very high86.4Confident0 Ų054.3 Ų54.30%029%0.294CS..Hα-helixtrans-71.2-34.8176.6-163.565.4000111.6I196 Q197 D198 L203 G204 G205 A207 L212 F250 I259 M261I196-L200 VanDerWaalsContact O-CB 3.29Å; I196-L200 WeakPolarHBondContact O-CB 3.48Å; I196-L200 PolarHBondContact O-N 2.65Å; Q197-L200 PolarHBondContact O-N 2.97Å; D198-L200 VanDerWaalsContact C-N 3.3Å; D198-L200 PolarHBondContact O-N 3.34Å; L200-L203 CarbonylContact O-C 3.55Å; L200-L203 PolarHBondContact O-N 3.38Å; L200-G204 PolarHBondContact O-N 3.17Å; L200-G205 WeakPolarHBondContact O-CA 3.18Å; L200-G205 PolarHBondContact O-N 2.89Å; L200-A207 HydrophobicContact CD1-CB 3.78Å; L200-L212 HydrophobicContact CB-CD1 4.45Å; L200-L212 HydrophobicContact CD1-CD1 4.29Å; L200-F250 HydrophobicContact CD2-CD1 4Å; L200-F250 HydrophobicContact CD2-CE1 4.17Å; L200-I259 HydrophobicContact CD1-CB 4.36Å; L200-I259 HydrophobicContact CD1-CG2 4.38Å; L200-I259 HydrophobicContact CD2-CG2 3.93Å; L200-M261 HydrophobicContact CD2-CG 3.84Å
201T88.4Confident87.4Confident82 Ų8256.1 Ų56.150%0.50331%0.308SS..Hα-helixtrans-66-44.8174.1-55.30000110.8Q197 D198 L203 G204Q197-T201 WeakPolarHBondContact O-CB 3.5Å; Q197-T201 PolarHBondContact O-N 3.25Å; Q197-T201 PolarHBondContact O-OG1 3.03Å; D198-T201 WeakPolarHBondContact O-CB 3.31Å; D198-T201 PolarHBondContact O-N 3.16Å; T201-L203 PolarHBondContact O-N 3.5Å; T201-G204 PolarHBondContact O-N 3.22Å
202E88.2Confident88.1Confident144 Ų14455.3 Ų55.367%0.67330%0.304SS*.Hα-helixtrans-57.4-31.2171.4-73.8179.5-17800112.7D198 G204D198-E202 WeakPolarHBondContact O-CG 3.5Å; D198-E202 PolarHBondContact O-N 3.42Å; E202-G204 VanDerWaalsContact C-N 3.27Å; E202-G204 PolarHBondContact O-N 3.1Å
203L87.3Confident88.6Confident67 Ų6756.5 Ų56.535%0.35130%0.304SS..THydrogen-bonded Turntrans-85.87.9176.5-66.4170.4000113.5V199 L200 T201 A207 L212V199-L203 HydrophobicContact CG1-CD1 4.23Å; V199-L203 WeakPolarHBondContact O-CD1 3.49Å; V199-L203 WeakPolarHBondContact O-CG 3.38Å; V199-L203 PolarHBondContact O-N 2.91Å; V199-L203 VanDerWaalsContact O-N 3.16Å; L200-L203 CarbonylContact O-C 3.55Å; L200-L203 PolarHBondContact O-N 3.38Å; T201-L203 PolarHBondContact O-N 3.5Å; L203-A207 HydrophobicContact CB-CB 3.84Å; L203-A207 HydrophobicContact CD1-CB 3.72Å; L203-A207 HydrophobicContact CG-CB 4.37Å; L203-L212 HydrophobicContact CD1-CB 4.43Å; L203-L212 HydrophobicContact CD1-CD1 4.23Å
204G82Confident88.9Confident60 Ų6058.8 Ų58.862%0.61931%0.311SS*.THydrogen-bonded Turntrans88.227.4176.500000114.8L200 T201 E202 K206L200-G204 PolarHBondContact O-N 3.17Å; T201-G204 PolarHBondContact O-N 3.22Å; E202-G204 VanDerWaalsContact C-N 3.27Å; E202-G204 PolarHBondContact O-N 3.1Å; G204-K206 PolarHBondContact O-N 2.93Å; G204-K206 VanDerWaalsContact O-N 3.09Å
205G80.7Confident89.2Confident27 Ų2752.8 Ų52.828%0.27829%0.291SS..SBendtrans76.1-9.3176.100000115.1L200L200-G205 WeakPolarHBondContact O-CA 3.18Å; L200-G205 PolarHBondContact O-N 2.89Å
206K87.3Confident89.4Confident146 Ų14651.4 Ų51.464%0.63529%0.285SS*.EExtended strand (participates in β ladder)trans-146.8130175.462.2-171.8176.8-172.30111.1G204 M258 I259G204-K206 PolarHBondContact O-N 2.93Å; G204-K206 VanDerWaalsContact O-N 3.09Å; K206-M258 HydrophobicContact CB-CE 4.46Å; K206-I259 WeakPolarHBondContact CA-O 3.23Å
207A90Very high89.4Confident8 Ų853.2 Ų53.27%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-149.6161-17900000113.1L200 L203 M258 I259L200-A207 HydrophobicContact CD1-CB 3.78Å; L203-A207 HydrophobicContact CB-CB 3.84Å; L203-A207 HydrophobicContact CD1-CB 3.72Å; L203-A207 HydrophobicContact CG-CB 4.37Å; A207-M258 CarbonylContact O-C 2.98Å; A207-M258 WeakPolarHBondContact O-CA 3.34Å; A207-I259 PolarHBondContact N-O 3.49Å; A207-I259 PolarHBondContact O-N 3.12Å
208T92.6Very high89.3Confident53 Ų5358.5 Ų58.533%0.32531%0.31SS..EExtended strand (participates in β ladder)trans-70.4145.1167.872.20000110.4S210 S211 L212 G257 M258T208-S210 PolarHBondContact O-N 3.33Å; T208-S210 VanDerWaalsContact O-N 3.11Å; T208-S211 PolarHBondContact O-N 3.11Å; T208-S211 PolarHBondContact OG1-N 2.89Å; T208-S211 VanDerWaalsContact OG1-N 3.12Å; T208-S211 PolarHBondContact OG1-OG 3.34Å; T208-S211 VanDerWaalsContact OG1-OG 3.08Å; T208-L212 PolarHBondContact O-N 2.82Å; T208-G257 CarbonylContact C-O 3.49Å; T208-G257 WeakPolarHBondContact CA-O 3.4Å; T208-M258 HydrophobicContact CG2-SD 3.57Å; T208-M258 VanDerWaalsContact CG2-SD 3.57Å
209F92.1Very high89.3Confident21 Ų2156.9 Ų56.99%0.09230%0.303CS..Hα-helixtrans-54.6-32.2172.6177.1-89.5000111.9R213 K237 L240 L241 I244 F252 G257 I259F209-R213 HydrophobicContact CE1-CB 4.26Å; F209-R213 HydrophobicContact CE1-CG 4.49Å; F209-R213 HydrophobicContact CZ-CB 4.48Å; F209-R213 WeakPolarHBondContact O-CB 3.15Å; F209-R213 PolarHBondContact O-N 2.84Å; F209-K237 HydrophobicContact CE1-CD 4.3Å; F209-K237 HydrophobicContact CE1-CG 3.82Å; F209-K237 HydrophobicContact CZ-CG 3.88Å; F209-L240 HydrophobicContact CE2-CD2 4.31Å; F209-L240 HydrophobicContact CE2-CG 4.3Å; F209-L240 HydrophobicContact CZ-CD2 4.48Å; F209-L241 HydrophobicContact CD2-CD1 3.99Å; F209-L241 HydrophobicContact CE2-CB 3.95Å; F209-L241 HydrophobicContact CE2-CD1 3.68Å; F209-L241 HydrophobicContact CE2-CG 4.42Å; F209-L241 HydrophobicContact CZ-CB 4.06Å; F209-L241 HydrophobicContact CZ-CD1 4.26Å; F209-I244 HydrophobicContact CD2-CD1 4.04Å; F209-I244 HydrophobicContact CE2-CD1 3.98Å; F209-F252 HydrophobicContact CB-CE2 4.23Å; F209-G257 PolarHBondContact N-O 3.23Å; F209-I259 HydrophobicContact CB-CD1 3.85Å; F209-I259 HydrophobicContact CB-CG1 4.37Å; F209-I259 HydrophobicContact CD2-CD1 3.85Å; F209-I259 HydrophobicContact CG-CD1 4.31Å
210S90.9Very high89.1Confident55 Ų5557.1 Ų57.139%0.38530%0.304SS..Hα-helixtrans-66.5-40.4176.8-165.90000112.4T208 K214T208-S210 PolarHBondContact O-N 3.33Å; T208-S210 VanDerWaalsContact O-N 3.11Å; S210-K214 WeakPolarHBondContact O-CB 3.41Å; S210-K214 WeakPolarHBondContact O-CG 3.33Å; S210-K214 PolarHBondContact O-N 2.86Å; S210-K214 VanDerWaalsContact O-N 3.12Å
211S91.1Very high88.8Confident55 Ų5564.4 Ų64.439%0.38534%0.335SS..Hα-helixtrans-69.3-50.7176.8-65.20000111.3T208 R213 K214 Q215T208-S211 PolarHBondContact O-N 3.11Å; T208-S211 PolarHBondContact OG1-N 2.89Å; T208-S211 VanDerWaalsContact OG1-N 3.12Å; T208-S211 PolarHBondContact OG1-OG 3.34Å; T208-S211 VanDerWaalsContact OG1-OG 3.08Å; S211-R213 PolarHBondContact O-N 2.83Å; S211-K214 PolarHBondContact O-N 3.2Å; S211-Q215 PolarHBondContact O-N 3.47Å
212L92.5Very high88.5Confident0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-56.8-52.5177.7-177.668.8000111.2I196 V199 L200 L203 T208 K214 Q215 I216 I244 I259I196-L212 HydrophobicContact CG2-CD2 4.08Å; V199-L212 HydrophobicContact CB-CD1 4.04Å; V199-L212 HydrophobicContact CG1-CD1 3.66Å; L200-L212 HydrophobicContact CB-CD1 4.45Å; L200-L212 HydrophobicContact CD1-CD1 4.29Å; L203-L212 HydrophobicContact CD1-CB 4.43Å; L203-L212 HydrophobicContact CD1-CD1 4.23Å; T208-L212 PolarHBondContact O-N 2.82Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.88Å; L212-Q215 PolarHBondContact O-N 2.97Å; L212-Q215 VanDerWaalsContact O-N 3.08Å; L212-I216 HydrophobicContact CD1-CD1 3.86Å; L212-I216 HydrophobicContact CD1-CG1 4.33Å; L212-I216 HydrophobicContact CD2-CD1 4.43Å; L212-I216 HydrophobicContact CG-CD1 3.8Å; L212-I216 HydrophobicContact CG-CG1 4.49Å; L212-I216 WeakPolarHBondContact O-CG1 3.36Å; L212-I216 PolarHBondContact O-N 3.38Å; L212-I244 HydrophobicContact CD2-CD1 3.91Å; L212-I259 HydrophobicContact CB-CD1 4.24Å; L212-I259 HydrophobicContact CD2-CD1 3.32Å; L212-I259 HydrophobicContact CG-CD1 4.42Å
213R93.2Very high88Confident54 Ų5462 Ų6220%0.20433%0.333CS..Hα-helixtrans-57.6-40.2177.8-177.2-170.464.888.66.6112.3F209 S211 Q215 Y217 F236 L240F209-R213 HydrophobicContact CE1-CB 4.26Å; F209-R213 HydrophobicContact CE1-CG 4.49Å; F209-R213 HydrophobicContact CZ-CB 4.48Å; F209-R213 WeakPolarHBondContact O-CB 3.15Å; F209-R213 PolarHBondContact O-N 2.84Å; S211-R213 PolarHBondContact O-N 2.83Å; R213-Q215 VanDerWaalsContact C-N 3.32Å; R213-Y217 WeakPolarHBondContact O-CB 3.17Å; R213-Y217 PolarHBondContact O-N 3.27Å; R213-F236 HydrophobicContact CG-CD1 4.3Å; R213-F236 HydrophobicContact CG-CE1 4.12Å; R213-L240 HydrophobicContact CB-CD2 3.82Å; R213-L240 HydrophobicContact CG-CD2 4.01Å
214K90.9Very high87.4Confident110 Ų11061 Ų6148%0.47833%0.329SS..Hα-helixtrans-63.8-40.5178.3-84.1174.5-176.3178.80111.3S210 S211 L212 R218S210-K214 WeakPolarHBondContact O-CB 3.41Å; S210-K214 WeakPolarHBondContact O-CG 3.33Å; S210-K214 PolarHBondContact O-N 2.86Å; S210-K214 VanDerWaalsContact O-N 3.12Å; S211-K214 PolarHBondContact O-N 3.2Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.88Å; K214-R218 WeakPolarHBondContact O-CD 3.46Å; K214-R218 VanDerWaalsContact O-CG 3.22Å; K214-R218 WeakPolarHBondContact O-CG 3.29Å; K214-R218 PolarHBondContact O-N 2.97Å; K214-R218 VanDerWaalsContact O-N 3.16Å
215Q90.7Very high86.4Confident62 Ų6266.6 Ų66.629%0.2934%0.344SS..Hα-helixtrans-69.2-52-178.7-164.167.6-4.700110.8V199 S211 L212 R213 Y217 R218 T219V199-Q215 HydrophobicContact CG1-CB 3.82Å; V199-Q215 HydrophobicContact CG1-CG 3.66Å; S211-Q215 PolarHBondContact O-N 3.47Å; L212-Q215 PolarHBondContact O-N 2.97Å; L212-Q215 VanDerWaalsContact O-N 3.08Å; R213-Q215 VanDerWaalsContact C-N 3.32Å; Q215-Y217 VanDerWaalsContact C-N 3.33Å; Q215-Y217 PolarHBondContact O-N 2.94Å; Q215-R218 WeakPolarHBondContact O-CB 3.35Å; Q215-R218 PolarHBondContact O-N 3.36Å; Q215-R218 VanDerWaalsContact O-N 3.12Å; Q215-T219 PolarHBondContact O-N 3.43Å; Q215-T219 PolarHBondContact O-OG1 2.95Å
216I91.6Very high85.3Confident0 Ų067.3 Ų67.30%035%0.345CS..Hα-helixtrans-62.9-39.7178.4-54.3172.7000111.2L190 M191 I196 V199 L212 R218 T219 Y220 F236 L240L190-I216 WeakPolarHBondContact O-CG2 3.23Å; M191-I216 HydrophobicContact CE-CG2 3.66Å; I196-I216 HydrophobicContact CG1-CD1 4.02Å; V199-I216 HydrophobicContact CB-CG1 4.39Å; V199-I216 HydrophobicContact CG1-CG1 4.16Å; V199-I216 HydrophobicContact CG2-CG1 4.26Å; L212-I216 HydrophobicContact CD1-CD1 3.86Å; L212-I216 HydrophobicContact CD1-CG1 4.33Å; L212-I216 HydrophobicContact CD2-CD1 4.43Å; L212-I216 HydrophobicContact CG-CD1 3.8Å; L212-I216 HydrophobicContact CG-CG1 4.49Å; L212-I216 WeakPolarHBondContact O-CG1 3.36Å; L212-I216 PolarHBondContact O-N 3.38Å; I216-R218 VanDerWaalsContact C-N 3.28Å; I216-R218 PolarHBondContact O-N 3.46Å; I216-T219 PolarHBondContact O-N 2.92Å; I216-Y220 WeakPolarHBondContact O-CB 3.34Å; I216-Y220 PolarHBondContact O-N 3.49Å; I216-F236 HydrophobicContact CB-CZ 4.18Å; I216-F236 HydrophobicContact CG2-CZ 3.78Å; I216-L240 HydrophobicContact CD1-CD1 3.75Å; I216-L240 HydrophobicContact CD1-CD2 4.17Å
217Y90.6Very high84.1Confident38 Ų3865.5 Ų65.515%0.14935%0.348CS..Hα-helixtrans-66.5-27.9178.4-173-105000113.2R213 Q215 Y220 K221 K233 F236R213-Y217 WeakPolarHBondContact O-CB 3.17Å; R213-Y217 PolarHBondContact O-N 3.27Å; Q215-Y217 VanDerWaalsContact C-N 3.33Å; Q215-Y217 PolarHBondContact O-N 2.94Å; Y217-Y220 HydrophobicContact CD2-CD1 4.06Å; Y217-Y220 AromaticContact CE2-CD1 3.99Å; Y217-Y220 HydrophobicContact CE2-CD1 3.99Å; Y217-Y220 HydrophobicContact CE2-CE1 4.4Å; Y217-K221 WeakPolarHBondContact O-CB 3.34Å; Y217-K221 PolarHBondContact O-N 2.68Å; Y217-K233 HydrophobicContact CE1-CG 4.14Å; Y217-K233 HydrophobicContact CE2-CG 4.23Å; Y217-K233 VanDerWaalsContact OH-CG 3.3Å; Y217-K233 WeakPolarHBondContact OH-CG 3.27Å; Y217-F236 HydrophobicContact CD2-CB 4.21Å; Y217-F236 AromaticContact CD2-CD1 3.6Å; Y217-F236 HydrophobicContact CD2-CD1 3.6Å; Y217-F236 AromaticContact CD2-CD2 3.92Å; Y217-F236 HydrophobicContact CD2-CD2 3.92Å; Y217-F236 AromaticContact CD2-CE1 3.89Å; Y217-F236 HydrophobicContact CD2-CE1 3.89Å; Y217-F236 HydrophobicContact CD2-CE2 4.17Å; Y217-F236 AromaticContact CD2-CG 3.62Å; Y217-F236 HydrophobicContact CD2-CG 3.62Å; Y217-F236 HydrophobicContact CD2-CZ 4.15Å; Y217-F236 HydrophobicContact CE2-CB 4.3Å; Y217-F236 HydrophobicContact CE2-CD1 4.48Å; Y217-F236 HydrophobicContact CE2-CD2 4.48Å; Y217-F236 HydrophobicContact CE2-CG 4.16Å; Y217-F236 HydrophobicContact CG-CD1 4.32Å; Y217-F236 HydrophobicContact CG-CE1 4.28Å
218R87.6Confident82.6Confident155 Ų15573 Ų7359%0.58538%0.382SS*.Hα-helixtrans-66.1-49.2173.4-77163.5177.3167.3-6.8110.2K214 Q215 I216 Y220 K221 T222K214-R218 WeakPolarHBondContact O-CD 3.46Å; K214-R218 VanDerWaalsContact O-CG 3.22Å; K214-R218 WeakPolarHBondContact O-CG 3.29Å; K214-R218 PolarHBondContact O-N 2.97Å; K214-R218 VanDerWaalsContact O-N 3.16Å; Q215-R218 WeakPolarHBondContact O-CB 3.35Å; Q215-R218 PolarHBondContact O-N 3.36Å; Q215-R218 VanDerWaalsContact O-N 3.12Å; I216-R218 VanDerWaalsContact C-N 3.28Å; I216-R218 PolarHBondContact O-N 3.46Å; R218-Y220 VanDerWaalsContact C-N 3.32Å; R218-Y220 PolarHBondContact O-N 2.97Å; R218-K221 PolarHBondContact O-N 3.1Å; R218-T222 PolarHBondContact O-N 3.35Å; R218-T222 VanDerWaalsContact O-N 3.16Å; R218-T222 PolarHBondContact O-OG1 3.21Å
219T86.8Confident81.1Confident52 Ų5278.2 Ų78.232%0.31940%0.403SS..Hα-helixtrans-61.4-40.9177.7-43.10000111.6L190 Q215 I216 T222 S223L190-T219 HydrophobicContact CD2-CG2 3.48Å; L190-T219 VanDerWaalsContact CD2-CG2 3.48Å; Q215-T219 PolarHBondContact O-N 3.43Å; Q215-T219 PolarHBondContact O-OG1 2.95Å; I216-T219 PolarHBondContact O-N 2.92Å; T219-T222 WeakPolarHBondContact CA-OG1 3.35Å; T219-T222 PolarHBondContact O-N 3.19Å; T219-T222 PolarHBondContact O-OG1 2.91Å; T219-S223 PolarHBondContact O-N 3.21Å; T219-S223 PolarHBondContact O-OG 3.5Å
220Y87Confident80.3Confident11 Ų1180.1 Ų80.14%0.04342%0.418CS..Hα-helixtrans-59.6-46.7172.9175.7-101.9000112.9L190 I216 Y217 R218 T222 S223 V224 C230 M231 F236L190-Y220 VanDerWaalsContact CD1-CA 3.42Å; L190-Y220 HydrophobicContact CD1-CD2 4.19Å; I216-Y220 WeakPolarHBondContact O-CB 3.34Å; I216-Y220 PolarHBondContact O-N 3.49Å; Y217-Y220 HydrophobicContact CD2-CD1 4.06Å; Y217-Y220 AromaticContact CE2-CD1 3.99Å; Y217-Y220 HydrophobicContact CE2-CD1 3.99Å; Y217-Y220 HydrophobicContact CE2-CE1 4.4Å; R218-Y220 VanDerWaalsContact C-N 3.32Å; R218-Y220 PolarHBondContact O-N 2.97Å; Y220-T222 PolarHBondContact O-N 3.47Å; Y220-S223 WeakPolarHBondContact CA-OG 3.23Å; Y220-S223 PolarHBondContact O-N 3.5Å; Y220-S223 PolarHBondContact O-OG 3.04Å; Y220-V224 HydrophobicContact CD1-CG2 4.32Å; Y220-V224 HydrophobicContact CD2-CG2 3.93Å; Y220-V224 HydrophobicContact CE1-CG2 3.9Å; Y220-V224 HydrophobicContact CE2-CG2 3.46Å; Y220-V224 VanDerWaalsContact CE2-CG2 3.46Å; Y220-V224 HydrophobicContact CG-CG2 4.33Å; Y220-V224 VanDerWaalsContact CZ-CG2 3.43Å; Y220-V224 VanDerWaalsContact O-CG2 3.27Å; Y220-V224 WeakPolarHBondContact O-CG2 3.31Å; Y220-V224 PolarHBondContact O-N 3.22Å; Y220-V224 VanDerWaalsContact O-N 3.12Å; Y220-C230 WeakPolarHBondContact OH-CA 3.33Å; Y220-M231 HydrophobicContact CE1-CB 4.39Å; Y220-M231 PolarHBondContact OH-N 2.88Å; Y220-F236 AromaticContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CE2 4.04Å; Y220-F236 HydrophobicContact CD2-CD2 4.39Å; Y220-F236 HydrophobicContact CD2-CE2 4.11Å; Y220-F236 HydrophobicContact CE1-CD2 4.27Å; Y220-F236 HydrophobicContact CG-CD2 4.01Å; Y220-F236 AromaticContact CG-CE2 3.68Å; Y220-F236 HydrophobicContact CG-CE2 3.68Å
221K84.3Confident79.9Confident153 Ų15379.3 Ų79.367%0.66541%0.408SS*.Hα-helixtrans-64.8-28.8-179.4-164.6-176177.8-160.90112.3Y217 R218Y217-K221 WeakPolarHBondContact O-CB 3.34Å; Y217-K221 PolarHBondContact O-N 2.68Å; R218-K221 PolarHBondContact O-N 3.1Å
222T82.1Confident79.7Confident117 Ų11780.1 Ų80.172%0.71841%0.411SS*.Hα-helixtrans-82-24.9176.147.60000113.7R218 T219 Y220R218-T222 PolarHBondContact O-N 3.35Å; R218-T222 VanDerWaalsContact O-N 3.16Å; R218-T222 PolarHBondContact O-OG1 3.21Å; T219-T222 WeakPolarHBondContact CA-OG1 3.35Å; T219-T222 PolarHBondContact O-N 3.19Å; T219-T222 PolarHBondContact O-OG1 2.91Å; Y220-T222 PolarHBondContact O-N 3.47Å
223S77.1Confident79.4Confident59 Ų5986.8 Ų86.841%0.41344%0.44SS..Hα-helixtrans-87.5-21.7179.765.40000113.9L190 T219 Y220 L225L190-S223 WeakPolarHBondContact CD1-OG 3.3Å; T219-S223 PolarHBondContact O-N 3.21Å; T219-S223 PolarHBondContact O-OG 3.5Å; Y220-S223 WeakPolarHBondContact CA-OG 3.23Å; Y220-S223 PolarHBondContact O-N 3.5Å; Y220-S223 PolarHBondContact O-OG 3.04Å; S223-L225 PolarHBondContact O-N 2.76Å
224V74Confident79.2Confident44 Ų4492.6 Ų92.627%0.26747%0.467SS..  trans-78.4106.9179.6175.60000109.8Y220 S226 C230Y220-V224 HydrophobicContact CD1-CG2 4.32Å; Y220-V224 HydrophobicContact CD2-CG2 3.93Å; Y220-V224 HydrophobicContact CE1-CG2 3.9Å; Y220-V224 HydrophobicContact CE2-CG2 3.46Å; Y220-V224 VanDerWaalsContact CE2-CG2 3.46Å; Y220-V224 HydrophobicContact CG-CG2 4.33Å; Y220-V224 VanDerWaalsContact CZ-CG2 3.43Å; Y220-V224 VanDerWaalsContact O-CG2 3.27Å; Y220-V224 WeakPolarHBondContact O-CG2 3.31Å; Y220-V224 PolarHBondContact O-N 3.22Å; Y220-V224 VanDerWaalsContact O-N 3.12Å; V224-S226 VanDerWaalsContact CG1-O 3.22Å; V224-S226 WeakPolarHBondContact CG1-O 3.26Å; V224-C230 HydrophobicContact CG1-CB 4.11Å
225L60.6Low79.1Confident178 Ų17892.3 Ų92.393%0.93247%0.467SS*.  trans-81.1-16.1-179.3-73.4153.8000113.5S223S223-L225 PolarHBondContact O-N 2.76Å
226S57.5Low79.1Confident42 Ų4289.3 Ų89.329%0.29445%0.453SS..  trans-128.5127.8-174.3-178.80000112.8V224 Q228V224-S226 VanDerWaalsContact CG1-O 3.22Å; V224-S226 WeakPolarHBondContact CG1-O 3.26Å; S226-Q228 PolarHBondContact O-N 2.88Å; S226-Q228 PolarHBondContact OG-OE1 3.11Å; S226-Q228 VanDerWaalsContact OG-OE1 3.1Å
227P63.3Low79.1Confident109 Ų10994.3 Ų94.371%0.70848%0.475SS*.G310 helixtrans-59.7-26.3175.9-24.333.8000114.7
228Q57.8Low79.1Confident164 Ų16495.5 Ų95.577%0.76649%0.493SS*.G310 helixtrans-75.1-20.2-173.4-73.883.9-9.600114.1S226S226-Q228 PolarHBondContact O-N 2.88Å; S226-Q228 PolarHBondContact OG-OE1 3.11Å; S226-Q228 VanDerWaalsContact OG-OE1 3.1Å
229E62.2Low79.3Confident164 Ų16492.7 Ų92.777%0.76649%0.485SS*.G310 helixtrans-111.311.2-178.2-69.3179.1156.800113.2M231E229-M231 PolarHBondContact O-N 3.06Å
230C74.6Confident79.5Confident60 Ų6090.2 Ų90.241%0.40547%0.469SS..  trans-78.5115.8-178.6176.50000111.4Y220 V224 T232Y220-C230 WeakPolarHBondContact OH-CA 3.33Å; V224-C230 HydrophobicContact CG1-CB 4.11Å; C230-T232 PolarHBondContact O-N 3.35Å
231M82Confident79.7Confident39 Ų3991.7 Ų91.719%0.19248%0.478CS..  trans-58134.7168.3-64.6-176.572.700110.5Y220 E229 E235 F236 K239Y220-M231 HydrophobicContact CE1-CB 4.39Å; Y220-M231 PolarHBondContact OH-N 2.88Å; E229-M231 PolarHBondContact O-N 3.06Å; M231-E235 HydrophobicContact CB-CB 4.34Å; M231-E235 HydrophobicContact CE-CB 3.77Å; M231-F236 HydrophobicContact CB-CB 4.41Å; M231-K239 HydrophobicContact CE-CB 3.75Å; M231-K239 HydrophobicContact CE-CD 3.54Å; M231-K239 HydrophobicContact CE-CG 4.28Å; M231-K239 HydrophobicContact SD-CD 3.87Å
232T87.4Confident79.8Confident72 Ų7286.4 Ų86.444%0.44247%0.467SS..  trans-61.1156.4170.567.50000110.5C230 K234 E235 F236C230-T232 PolarHBondContact O-N 3.35Å; T232-K234 PolarHBondContact O-N 3.34Å; T232-E235 VanDerWaalsContact CB-OE2 3.31Å; T232-E235 WeakPolarHBondContact CB-OE2 3.3Å; T232-E235 VanDerWaalsContact CG2-OE2 3.3Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.33Å; T232-E235 PolarHBondContact N-OE2 3.19Å; T232-E235 PolarHBondContact O-N 3.48Å; T232-E235 VanDerWaalsContact O-N 3.14Å; T232-E235 WeakPolarHBondContact OG1-CB 3.22Å; T232-E235 VanDerWaalsContact OG1-CG 3.24Å; T232-E235 WeakPolarHBondContact OG1-CG 3.5Å; T232-E235 PolarHBondContact OG1-N 3.39Å; T232-E235 VanDerWaalsContact OG1-N 3.14Å; T232-E235 PolarHBondContact OG1-OE2 3.18Å; T232-F236 WeakPolarHBondContact O-CB 3.28Å; T232-F236 PolarHBondContact O-N 3.16Å
233K86.8Confident80.2Confident139 Ų13982.6 Ų82.660%0.60444%0.444SS*.Hα-helixtrans-55.1-28.6174.7-71.7178.6-178.5172.60113.2Y217 K237Y217-K233 HydrophobicContact CE1-CG 4.14Å; Y217-K233 HydrophobicContact CE2-CG 4.23Å; Y217-K233 VanDerWaalsContact OH-CG 3.3Å; Y217-K233 WeakPolarHBondContact OH-CG 3.27Å; K233-K237 WeakPolarHBondContact O-CB 3.44Å; K233-K237 PolarHBondContact O-N 3.46Å
234K87.6Confident80.8Confident176 Ų17679.9 Ų79.977%0.76542%0.424SS*.Hα-helixtrans-76.2-47.5179.5-171.3-174.8175.9-167.10110.3T232 K237 A238T232-K234 PolarHBondContact O-N 3.34Å; K234-K237 PolarHBondContact O-N 2.78Å; K234-A238 PolarHBondContact O-N 2.95Å
235E89.2Confident81.3Confident104 Ų10483.3 Ų83.349%0.48644%0.437SS..Hα-helixtrans-63.4-45.7176.5-71.1155173.200111.4M231 T232 K237 A238 K239M231-E235 HydrophobicContact CB-CB 4.34Å; M231-E235 HydrophobicContact CE-CB 3.77Å; T232-E235 VanDerWaalsContact CB-OE2 3.31Å; T232-E235 WeakPolarHBondContact CB-OE2 3.3Å; T232-E235 VanDerWaalsContact CG2-OE2 3.3Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.33Å; T232-E235 PolarHBondContact N-OE2 3.19Å; T232-E235 PolarHBondContact O-N 3.48Å; T232-E235 VanDerWaalsContact O-N 3.14Å; T232-E235 WeakPolarHBondContact OG1-CB 3.22Å; T232-E235 VanDerWaalsContact OG1-CG 3.24Å; T232-E235 WeakPolarHBondContact OG1-CG 3.5Å; T232-E235 PolarHBondContact OG1-N 3.39Å; T232-E235 VanDerWaalsContact OG1-N 3.14Å; T232-E235 PolarHBondContact OG1-OE2 3.18Å; E235-K237 VanDerWaalsContact C-N 3.29Å; E235-K237 PolarHBondContact O-N 2.75Å; E235-A238 PolarHBondContact O-N 3.36Å; E235-A238 VanDerWaalsContact O-N 3.1Å; E235-K239 WeakPolarHBondContact O-CB 3.26Å; E235-K239 PolarHBondContact O-N 3.18Å
236F91.2Very high82.4Confident0 Ų078.3 Ų78.30%043%0.429CS..Hα-helixtrans-58-44.1176.9-177.7-85.9000111.4M191 R213 I216 Y217 Y220 M231 T232 A238 K239 L240M191-F236 HydrophobicContact CE-CD2 4.48Å; M191-F236 HydrophobicContact CE-CE1 4.45Å; M191-F236 HydrophobicContact CE-CE2 3.59Å; M191-F236 HydrophobicContact CE-CZ 3.57Å; M191-F236 HydrophobicContact SD-CE2 4.42Å; R213-F236 HydrophobicContact CG-CD1 4.3Å; R213-F236 HydrophobicContact CG-CE1 4.12Å; I216-F236 HydrophobicContact CB-CZ 4.18Å; I216-F236 HydrophobicContact CG2-CZ 3.78Å; Y217-F236 HydrophobicContact CD2-CB 4.21Å; Y217-F236 AromaticContact CD2-CD1 3.6Å; Y217-F236 HydrophobicContact CD2-CD1 3.6Å; Y217-F236 AromaticContact CD2-CD2 3.92Å; Y217-F236 HydrophobicContact CD2-CD2 3.92Å; Y217-F236 AromaticContact CD2-CE1 3.89Å; Y217-F236 HydrophobicContact CD2-CE1 3.89Å; Y217-F236 HydrophobicContact CD2-CE2 4.17Å; Y217-F236 AromaticContact CD2-CG 3.62Å; Y217-F236 HydrophobicContact CD2-CG 3.62Å; Y217-F236 HydrophobicContact CD2-CZ 4.15Å; Y217-F236 HydrophobicContact CE2-CB 4.3Å; Y217-F236 HydrophobicContact CE2-CD1 4.48Å; Y217-F236 HydrophobicContact CE2-CD2 4.48Å; Y217-F236 HydrophobicContact CE2-CG 4.16Å; Y217-F236 HydrophobicContact CG-CD1 4.32Å; Y217-F236 HydrophobicContact CG-CE1 4.28Å; Y220-F236 AromaticContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CD2 3.94Å; Y220-F236 HydrophobicContact CD1-CE2 4.04Å; Y220-F236 HydrophobicContact CD2-CD2 4.39Å; Y220-F236 HydrophobicContact CD2-CE2 4.11Å; Y220-F236 HydrophobicContact CE1-CD2 4.27Å; Y220-F236 HydrophobicContact CG-CD2 4.01Å; Y220-F236 AromaticContact CG-CE2 3.68Å; Y220-F236 HydrophobicContact CG-CE2 3.68Å; M231-F236 HydrophobicContact CB-CB 4.41Å; T232-F236 WeakPolarHBondContact O-CB 3.28Å; T232-F236 PolarHBondContact O-N 3.16Å; F236-A238 VanDerWaalsContact C-N 3.34Å; F236-A238 PolarHBondContact O-N 2.7Å; F236-K239 PolarHBondContact O-N 3.34Å; F236-L240 HydrophobicContact CE1-CD2 4.14Å; F236-L240 WeakPolarHBondContact O-CB 3.41Å; F236-L240 PolarHBondContact O-N 3.07Å
237K91.8Very high83.6Confident104 Ų10477.1 Ų77.145%0.45242%0.421SS..Hα-helixtrans-60.9-44.3176.3179.6-176.6172.3-168.50111.3F209 K233 K234 E235 L241F209-K237 HydrophobicContact CE1-CD 4.3Å; F209-K237 HydrophobicContact CE1-CG 3.82Å; F209-K237 HydrophobicContact CZ-CG 3.88Å; K233-K237 WeakPolarHBondContact O-CB 3.44Å; K233-K237 PolarHBondContact O-N 3.46Å; K234-K237 PolarHBondContact O-N 2.78Å; E235-K237 VanDerWaalsContact C-N 3.29Å; E235-K237 PolarHBondContact O-N 2.75Å; K237-L241 VanDerWaalsContact O-CB 3.28Å; K237-L241 WeakPolarHBondContact O-CB 3.45Å; K237-L241 PolarHBondContact O-N 3.14Å
238A90.3Very high84.6Confident63 Ų6380.5 Ų80.552%0.52143%0.427SS..Hα-helixtrans-66.1-45.4-179.200000111.4K234 E235 F236 L241 G242K234-A238 PolarHBondContact O-N 2.95Å; E235-A238 PolarHBondContact O-N 3.36Å; E235-A238 VanDerWaalsContact O-N 3.1Å; F236-A238 VanDerWaalsContact C-N 3.34Å; F236-A238 PolarHBondContact O-N 2.7Å; A238-L241 PolarHBondContact O-N 3.35Å; A238-G242 PolarHBondContact O-N 3Å
239K90.8Very high85.8Confident96 Ų9679 Ų7942%0.41742%0.415SS..Hα-helixtrans-63.1-47.3178.3-167.1169.7-175.3174.40111.9M191 M231 E235 F236 L241 G242 V243M191-K239 HydrophobicContact SD-CG 4.31Å; M231-K239 HydrophobicContact CE-CB 3.75Å; M231-K239 HydrophobicContact CE-CD 3.54Å; M231-K239 HydrophobicContact CE-CG 4.28Å; M231-K239 HydrophobicContact SD-CD 3.87Å; E235-K239 WeakPolarHBondContact O-CB 3.26Å; E235-K239 PolarHBondContact O-N 3.18Å; F236-K239 PolarHBondContact O-N 3.34Å; K239-L241 VanDerWaalsContact C-N 3.35Å; K239-L241 PolarHBondContact O-N 3.26Å; K239-G242 PolarHBondContact O-N 2.86Å; K239-V243 WeakPolarHBondContact O-CG2 3.3Å; K239-V243 PolarHBondContact O-N 3.14Å
240L91.4Very high86.9Confident0 Ų071.8 Ų71.80%038%0.381CS..Hα-helixtrans-61.3-42.7176.4178.862.6000112.1M191 I196 F209 R213 I216 F236 G242 V243 I244M191-L240 HydrophobicContact CE-CB 4.42Å; M191-L240 HydrophobicContact CE-CD1 4.07Å; M191-L240 HydrophobicContact SD-CB 4.28Å; I196-L240 HydrophobicContact CD1-CD1 3.86Å; I196-L240 HydrophobicContact CG1-CD1 4.18Å; F209-L240 HydrophobicContact CE2-CD2 4.31Å; F209-L240 HydrophobicContact CE2-CG 4.3Å; F209-L240 HydrophobicContact CZ-CD2 4.48Å; R213-L240 HydrophobicContact CB-CD2 3.82Å; R213-L240 HydrophobicContact CG-CD2 4.01Å; I216-L240 HydrophobicContact CD1-CD1 3.75Å; I216-L240 HydrophobicContact CD1-CD2 4.17Å; F236-L240 HydrophobicContact CE1-CD2 4.14Å; F236-L240 WeakPolarHBondContact O-CB 3.41Å; F236-L240 PolarHBondContact O-N 3.07Å; L240-G242 VanDerWaalsContact C-N 3.33Å; L240-V243 PolarHBondContact O-N 3.04Å; L240-I244 HydrophobicContact CD1-CD1 3.97Å; L240-I244 HydrophobicContact CD1-CG1 4.42Å; L240-I244 HydrophobicContact CG-CD1 3.87Å; L240-I244 WeakPolarHBondContact O-CD1 3.24Å; L240-I244 VanDerWaalsContact O-CG1 3.32Å; L240-I244 WeakPolarHBondContact O-CG1 3.45Å; L240-I244 PolarHBondContact O-N 3.34Å; L240-I244 VanDerWaalsContact O-N 3.08Å
241L90.7Very high87.4Confident42 Ų4273.3 Ų73.322%0.2238%0.384CS..Hα-helixtrans-65.1-39.6177.5-172.666.5000111.4F209 K237 A238 K239 I244 Q245 F252F209-L241 HydrophobicContact CD2-CD1 3.99Å; F209-L241 HydrophobicContact CE2-CB 3.95Å; F209-L241 HydrophobicContact CE2-CD1 3.68Å; F209-L241 HydrophobicContact CE2-CG 4.42Å; F209-L241 HydrophobicContact CZ-CB 4.06Å; F209-L241 HydrophobicContact CZ-CD1 4.26Å; K237-L241 VanDerWaalsContact O-CB 3.28Å; K237-L241 WeakPolarHBondContact O-CB 3.45Å; K237-L241 PolarHBondContact O-N 3.14Å; A238-L241 PolarHBondContact O-N 3.35Å; K239-L241 VanDerWaalsContact C-N 3.35Å; K239-L241 PolarHBondContact O-N 3.26Å; L241-I244 PolarHBondContact O-N 2.85Å; L241-Q245 HydrophobicContact CD1-CG 4.21Å; L241-Q245 HydrophobicContact CG-CG 4.29Å; L241-Q245 WeakPolarHBondContact O-CB 3.44Å; L241-Q245 WeakPolarHBondContact O-CG 3.49Å; L241-Q245 PolarHBondContact O-N 3.1Å; L241-F252 HydrophobicContact CD1-CE1 4.42Å; L241-F252 HydrophobicContact CD1-CE2 4.34Å; L241-F252 HydrophobicContact CD1-CZ 4.2Å
242G88.4Confident87.6Confident43 Ų4374 Ų7444%0.44339%0.386SS..Hα-helixtrans-61.3-42.9174.700000112.9A238 K239 L240 Q245 G246A238-G242 PolarHBondContact O-N 3Å; K239-G242 PolarHBondContact O-N 2.86Å; L240-G242 VanDerWaalsContact C-N 3.33Å; G242-Q245 PolarHBondContact O-N 3.04Å; G242-G246 PolarHBondContact O-N 3.08Å
243V89.7Confident87.3Confident37 Ų3772.1 Ų72.122%0.22438%0.377CS..Hα-helixtrans-63.4-42.1175.7175.40000111.6L193 I196 K239 L240 S247L193-V243 HydrophobicContact CD2-CG1 3.76Å; I196-V243 HydrophobicContact CD1-CB 4.26Å; I196-V243 HydrophobicContact CD1-CG1 3.48Å; I196-V243 VanDerWaalsContact CD1-CG1 3.48Å; K239-V243 WeakPolarHBondContact O-CG2 3.3Å; K239-V243 PolarHBondContact O-N 3.14Å; L240-V243 PolarHBondContact O-N 3.04Å; V243-S247 WeakPolarHBondContact O-CB 3.33Å; V243-S247 PolarHBondContact O-N 3.12Å
244I88.6Confident86.8Confident1 Ų170.5 Ų70.51%0.00538%0.38CS..Hα-helixtrans-68.6-43.1179.5-67.8160.4000111.4I196 F209 L212 L240 L241 F250 F252 I259I196-I244 HydrophobicContact CG2-CG1 4.49Å; F209-I244 HydrophobicContact CD2-CD1 4.04Å; F209-I244 HydrophobicContact CE2-CD1 3.98Å; L212-I244 HydrophobicContact CD2-CD1 3.91Å; L240-I244 HydrophobicContact CD1-CD1 3.97Å; L240-I244 HydrophobicContact CD1-CG1 4.42Å; L240-I244 HydrophobicContact CG-CD1 3.87Å; L240-I244 WeakPolarHBondContact O-CD1 3.24Å; L240-I244 VanDerWaalsContact O-CG1 3.32Å; L240-I244 WeakPolarHBondContact O-CG1 3.45Å; L240-I244 PolarHBondContact O-N 3.34Å; L240-I244 VanDerWaalsContact O-N 3.08Å; L241-I244 PolarHBondContact O-N 2.85Å; I244-F250 HydrophobicContact CG2-CB 3.93Å; I244-F250 HydrophobicContact CG2-CG 4.45Å; I244-F252 HydrophobicContact CG2-CB 4.21Å; I244-I259 HydrophobicContact CD1-CD1 3.82Å; I244-I259 HydrophobicContact CG2-CG2 4.25Å
245Q85.7Confident86Confident116 Ų11667.4 Ų67.454%0.54238%0.379SS..Hα-helixtrans-76.8-25.6-177.9-70.8-178.6-36.600113.3L241 G242 S247 F252L241-Q245 HydrophobicContact CD1-CG 4.21Å; L241-Q245 HydrophobicContact CG-CG 4.29Å; L241-Q245 WeakPolarHBondContact O-CB 3.44Å; L241-Q245 WeakPolarHBondContact O-CG 3.49Å; L241-Q245 PolarHBondContact O-N 3.1Å; G242-Q245 PolarHBondContact O-N 3.04Å; Q245-S247 VanDerWaalsContact C-N 3.34Å; Q245-F252 HydrophobicContact CG-CD1 4.49Å
246G83.2Confident85.4Confident73 Ų7367.8 Ų67.875%0.75339%0.385SS*.THydrogen-bonded Turntrans-89.75.917700000114.2G242G242-G246 PolarHBondContact O-N 3.08Å
247S83.9Confident85Confident17 Ų1768.9 Ų68.912%0.11940%0.396CS..  trans-115.5136.7-176.4175.30000111.4L193 V243 Q245 Y249L193-S247 WeakPolarHBondContact CD2-OG 3.2Å; V243-S247 WeakPolarHBondContact O-CB 3.33Å; V243-S247 PolarHBondContact O-N 3.12Å; Q245-S247 VanDerWaalsContact C-N 3.34Å; S247-Y249 PolarHBondContact O-N 3.12Å; S247-Y249 WeakPolarHBondContact OG-CD2 3.06Å; S247-Y249 PolarHBondContact OG-N 2.97Å
248E83Confident84.7Confident181 Ų18166.9 Ų66.985%0.84639%0.389SS*.THydrogen-bonded Turntrans-75.8-7.1174.2-61.3-175.3157.300113.1V262E248-V262 WeakPolarHBondContact O-CG2 3.37Å
249Y82.5Confident84.5Confident131 Ų13164 Ų6451%0.51437%0.365SS..THydrogen-bonded Turntrans-84.3-13.3-179-62.4-70.8000113.8L193 S247 M261 V262L193-Y249 HydrophobicContact CD1-CD2 3.89Å; L193-Y249 HydrophobicContact CD1-CE2 3.88Å; S247-Y249 PolarHBondContact O-N 3.12Å; S247-Y249 WeakPolarHBondContact OG-CD2 3.06Å; S247-Y249 PolarHBondContact OG-N 2.97Å; Y249-M261 WeakPolarHBondContact O-CA 3.38Å; Y249-V262 PolarHBondContact O-N 3.11Å
250F86.5Confident84.4Confident13 Ų1361.3 Ų61.36%0.05736%0.358CS..EExtended strand (participates in β ladder)trans-125.7134.2-172.8-54.6-69.2000112.3L193 I196 Q197 L200 I244 I259 S260L193-F250 HydrophobicContact CD2-CE2 3.8Å; I196-F250 HydrophobicContact CB-CE1 4.36Å; I196-F250 HydrophobicContact CB-CE2 4.25Å; I196-F250 HydrophobicContact CB-CZ 3.65Å; I196-F250 HydrophobicContact CG2-CD1 4.48Å; I196-F250 HydrophobicContact CG2-CE1 3.67Å; I196-F250 HydrophobicContact CG2-CE2 3.91Å; I196-F250 HydrophobicContact CG2-CZ 3.33Å; Q197-F250 HydrophobicContact CG-CE1 3.84Å; Q197-F250 HydrophobicContact CG-CZ 3.76Å; L200-F250 HydrophobicContact CD2-CD1 4Å; L200-F250 HydrophobicContact CD2-CE1 4.17Å; I244-F250 HydrophobicContact CG2-CB 3.93Å; I244-F250 HydrophobicContact CG2-CG 4.45Å; F250-I259 HydrophobicContact CB-CG2 4.18Å; F250-I259 HydrophobicContact CD1-CG2 4.26Å; F250-S260 WeakPolarHBondContact CA-O 3.41Å
251I83.8Confident84Confident92 Ų9264.4 Ų64.447%0.47237%0.374SS..EExtended strand (participates in β ladder)trans-99.4112.7169.9-53.1177.9000107.8I259 S260 V262I251-I259 VanDerWaalsContact O-CA 3.3Å; I251-I259 WeakPolarHBondContact O-CA 3.24Å; I251-S260 PolarHBondContact N-O 3.09Å; I251-S260 PolarHBondContact O-N 2.81Å; I251-S260 VanDerWaalsContact O-N 3.07Å; I251-V262 HydrophobicContact CD1-CG2 4.03Å; I251-V262 HydrophobicContact CG1-CG2 3.52Å
252F86.5Confident83.3Confident53 Ų5365.6 Ų65.623%0.23238%0.382CS..EExtended strand (participates in β ladder)trans-97.4113.8172177.6-110.4000110.2F209 L241 I244 Q245 P254 M258 I259F209-F252 HydrophobicContact CB-CE2 4.23Å; L241-F252 HydrophobicContact CD1-CE1 4.42Å; L241-F252 HydrophobicContact CD1-CE2 4.34Å; L241-F252 HydrophobicContact CD1-CZ 4.2Å; I244-F252 HydrophobicContact CG2-CB 4.21Å; Q245-F252 HydrophobicContact CG-CD1 4.49Å; F252-P254 HydrophobicContact CD1-CG 4.16Å; F252-P254 HydrophobicContact CE1-CB 4.19Å; F252-P254 HydrophobicContact CE1-CG 4.14Å; F252-P254 VanDerWaalsContact O-CD 3.24Å; F252-P254 WeakPolarHBondContact O-CD 3.28Å; F252-M258 WeakPolarHBondContact CA-O 3.34Å; F252-I259 HydrophobicContact CD2-CG1 3.91Å
253S81.6Confident82Confident34 Ų3467.8 Ų67.824%0.23839%0.391CS..EExtended strand (participates in β ladder)trans-86.6109.2171.5170.90000109.8C255 D256 G257 M258S253-C255 PolarHBondContact O-N 3.44Å; S253-D256 PolarHBondContact O-N 3.42Å; S253-D256 PolarHBondContact OG-OD2 2.9Å; S253-G257 WeakPolarHBondContact O-CA 3.37Å; S253-G257 PolarHBondContact O-N 3.44Å; S253-M258 PolarHBondContact N-O 3.32Å; S253-M258 PolarHBondContact O-N 3.33Å
254P76.9Confident80.1Confident104 Ų10473.7 Ų73.768%0.67542%0.421SS*.THydrogen-bonded Turntrans-67.3-26.5179.6-18.633.7000112.7F252F252-P254 HydrophobicContact CD1-CG 4.16Å; F252-P254 HydrophobicContact CE1-CB 4.19Å; F252-P254 HydrophobicContact CE1-CG 4.14Å; F252-P254 VanDerWaalsContact O-CD 3.24Å; F252-P254 WeakPolarHBondContact O-CD 3.28Å
255C70Confident77.8Confident111 Ų11180.4 Ų80.475%0.7546%0.457SS*.THydrogen-bonded Turntrans-65.8-39.9-179.2-66.60000112.1S253S253-C255 PolarHBondContact O-N 3.44Å
256D76.2Confident75.4Confident113 Ų11382.7 Ų82.760%0.60447%0.472SS*.THydrogen-bonded Turntrans-111.4-13-170.2-42.2-42.1000111.6S253 M258S253-D256 PolarHBondContact O-N 3.42Å; S253-D256 PolarHBondContact OG-OD2 2.9Å; D256-M258 HydrophobicContact CB-CB 4.26Å; D256-M258 HydrophobicContact CB-CG 3.67Å; D256-M258 PolarHBondContact O-N 2.88Å
257G83.2Confident72.9Confident23 Ų2385.9 Ų85.924%0.23748%0.477CS..THydrogen-bonded Turntrans64.327.6-172.100000112.3T208 F209 S253T208-G257 CarbonylContact C-O 3.49Å; T208-G257 WeakPolarHBondContact CA-O 3.4Å; F209-G257 PolarHBondContact N-O 3.23Å; S253-G257 WeakPolarHBondContact O-CA 3.37Å; S253-G257 PolarHBondContact O-N 3.44Å
258M85.6Confident70.5Confident62 Ų6291.2 Ų91.231%0.30551%0.509SS..EExtended strand (participates in β ladder)trans-94.2149.3-178.5-67.1-65.5-70.800110.7K206 A207 T208 F252 S253 D256K206-M258 HydrophobicContact CB-CE 4.46Å; A207-M258 CarbonylContact O-C 2.98Å; A207-M258 WeakPolarHBondContact O-CA 3.34Å; T208-M258 HydrophobicContact CG2-SD 3.57Å; T208-M258 VanDerWaalsContact CG2-SD 3.57Å; F252-M258 WeakPolarHBondContact CA-O 3.34Å; S253-M258 PolarHBondContact N-O 3.32Å; S253-M258 PolarHBondContact O-N 3.33Å; D256-M258 HydrophobicContact CB-CB 4.26Å; D256-M258 HydrophobicContact CB-CG 3.67Å; D256-M258 PolarHBondContact O-N 2.88Å
259I87.2Confident68Low1 Ų190.9 Ų90.91%0.00551%0.507CS..EExtended strand (participates in β ladder)trans-126.8132.5174.1-53.7158.3000107L200 K206 A207 F209 L212 I244 F250 I251 F252L200-I259 HydrophobicContact CD1-CB 4.36Å; L200-I259 HydrophobicContact CD1-CG2 4.38Å; L200-I259 HydrophobicContact CD2-CG2 3.93Å; K206-I259 WeakPolarHBondContact CA-O 3.23Å; A207-I259 PolarHBondContact N-O 3.49Å; A207-I259 PolarHBondContact O-N 3.12Å; F209-I259 HydrophobicContact CB-CD1 3.85Å; F209-I259 HydrophobicContact CB-CG1 4.37Å; F209-I259 HydrophobicContact CD2-CD1 3.85Å; F209-I259 HydrophobicContact CG-CD1 4.31Å; L212-I259 HydrophobicContact CB-CD1 4.24Å; L212-I259 HydrophobicContact CD2-CD1 3.32Å; L212-I259 HydrophobicContact CG-CD1 4.42Å; I244-I259 HydrophobicContact CD1-CD1 3.82Å; I244-I259 HydrophobicContact CG2-CG2 4.25Å; F250-I259 HydrophobicContact CB-CG2 4.18Å; F250-I259 HydrophobicContact CD1-CG2 4.26Å; I251-I259 VanDerWaalsContact O-CA 3.3Å; I251-I259 WeakPolarHBondContact O-CA 3.24Å; F252-I259 HydrophobicContact CD2-CG1 3.91Å
260S87.1Confident65.7Low40 Ų4090 Ų9028%0.2852%0.52SS..EExtended strand (participates in β ladder)trans-133.4158.4172.650.90000110.2F250 I251F250-S260 WeakPolarHBondContact CA-O 3.41Å; I251-S260 PolarHBondContact N-O 3.09Å; I251-S260 PolarHBondContact O-N 2.81Å; I251-S260 VanDerWaalsContact O-N 3.07Å
261M83.3Confident63.1Low66 Ų6696.4 Ų96.433%0.32556%0.56SS.*EExtended strand (participates in β ladder)trans-71.9144.5170-65.3178.856.300110.2L200 Y249 S263L200-M261 HydrophobicContact CD2-CG 3.84Å; Y249-M261 WeakPolarHBondContact O-CA 3.38Å; M261-S263 PolarHBondContact O-N 2.75Å
262V75.8Confident60.9Low66 Ų6697.1 Ų97.140%0.457%0.571SS.*PPolyproline II helixtrans-68.1127162.2176.60000107.3E248 Y249 I251E248-V262 WeakPolarHBondContact O-CG2 3.37Å; Y249-V262 PolarHBondContact O-N 3.11Å; I251-V262 HydrophobicContact CD1-CG2 4.03Å; I251-V262 HydrophobicContact CG1-CG2 3.52Å
263S62.1Low58.1Low90 Ų90103.8 Ų103.863%0.62960%0.602SS**PPolyproline II helixtrans-85.4133.6174.6-54.50000108.1M261 D265M261-S263 PolarHBondContact O-N 2.75Å; S263-D265 PolarHBondContact O-N 3.41Å
264D48.9Very low55.9Low161 Ų161106.8 Ų106.886%0.86162%0.621SS**SBendtrans-67.512.3-179-94.3-23.7000114.6L266D264-L266 PolarHBondContact O-N 2.91Å
265D40.7Very low53.6Low141 Ų141109.1 Ų109.175%0.75463%0.628SS**  trans-93.691.4172-65.8-36.4000108.5S263S263-D265 PolarHBondContact O-N 3.41Å
266L35.2Very low51.6Low164 Ų164111.8 Ų111.886%0.85963%0.633SS**  trans144.875.6150.1-73161.3000112.4D264D264-L266 PolarHBondContact O-N 2.91Å
267V31.5Very low49.2Very low140 Ų140110.8 Ų110.885%0.84864%0.635SS**  trans-84.899.4151.4176.90000107.4
268T32.6Very low46.5Very low129 Ų129117.1 Ų117.179%0.79166%0.662SS**  trans-160.9139.4146.4-8.90000111.3
269E31.4Very low43.7Very low175 Ų175122 Ų12282%0.81869%0.688SS**  trans-72.2164.9-160.6-63.4165.513300116
270S33Very low40.7Very low112 Ų112128.6 Ų128.678%0.78372%0.722SS**  trans82.398.2146.870.30000120.5
271V33.2Very low37.9Very low148 Ų148132.8 Ų132.890%0.89775%0.749SS**  13.4145.6127.2177.70000118.8
272P37.9Very low35.3Very low107 Ų107137.4 Ų137.470%0.69577%0.77SS**  -110.3165.5-128.741.5-35.9000115.6
273H27.4Very low33.1Very low192 Ų192140.9 Ų140.989%0.88979%0.787SS**  trans-153.9153.7150.8-120.7-95000112.2
274P35.3Very low31.7Very low97 Ų97143.6 Ų143.663%0.6379%0.794SS**  trans-94.1169.9-163.639.4-29.9000112.5
275D28Very low31Very low154 Ų154145.5 Ų145.582%0.82480%0.795SS**  trans61.5118178.4-79.7-27000115.1
276I28.1Very low30.8Very low166 Ų166143.5 Ų143.585%0.85179%0.79SS**  -167.7109.1128.4-89.2143.7000106.6
277S26.8Very low31Very low92 Ų92143.2 Ų143.264%0.64378%0.784SS**  trans-39152.6154.442.90000113.8
278L25.8Very low31.4Very low157 Ų157140.9 Ų140.982%0.82276%0.76SS**  trans106.983163-60.9158.9000115
279I26.7Very low32.1Very low164 Ų164138.4 Ų138.484%0.84175%0.748SS**  trans-135103.4136-58.1-176.1000108.8
280I23.8Very low33.2Very low139 Ų139136.6 Ų136.671%0.71374%0.74SS**  trans-18.1125.6158-58.2162.3000113.7
281C29.5Very low35.3Very low128 Ų128134 Ų13487%0.86572%0.722SS**  trans-139.3114.1157.3-810000108.9
282Q28.1Very low37.4Very low164 Ų164127.2 Ų127.277%0.76668%0.68SS**  trans-71.9146.2168.9-68.7171.6-17.100109.9
283N29.9Very low39.4Very low139 Ų139127.7 Ų127.774%0.74367%0.671SS**SBendtrans79111158.1-56.5-13.5000119.9
284D31.5Very low42Very low147 Ų147125.3 Ų125.379%0.78666%0.658SS**  trans64.499.7139.2-61.3-48.8000121.5
285K34.9Very low44.4Very low201 Ų201121.7 Ų121.787%0.87463%0.634SS**  trans36.6160.3135.7-89.8179.9-176.5173.60121.5
286P36.6Very low47.2Very low99 Ų99114.6 Ų114.664%0.64360%0.596SS**  cis-139147.93.326.1-1.7000116.3Y288P286-Y288 VanDerWaalsContact C-N 3.28Å; P286-Y288 PolarHBondContact O-N 3.39Å
287H38.4Very low49.9Very low158 Ų158110.7 Ų110.773%0.73158%0.576SS**  trans51.5-4.1132.9-127.6-78.3000123.3
288Y41.2Very low52.7Low90 Ų90110 Ų11035%0.35357%0.565SS.*Hα-helixtrans-86.5-21.2-172.6-172.4-101.5000114.1P286 E290 S291 L292P286-Y288 VanDerWaalsContact C-N 3.28Å; P286-Y288 PolarHBondContact O-N 3.39Å; Y288-E290 VanDerWaalsContact C-N 3.32Å; Y288-S291 WeakPolarHBondContact CA-OG 3.44Å; Y288-S291 PolarHBondContact O-OG 3.43Å; Y288-S291 VanDerWaalsContact O-OG 3.07Å; Y288-L292 HydrophobicContact CD1-CD1 3.98Å; Y288-L292 HydrophobicContact CE1-CD1 3.26Å; Y288-L292 HydrophobicContact CE1-CG 4.09Å; Y288-L292 PolarHBondContact O-N 3.37Å
289S47.6Very low55.6Low78 Ų78103.1 Ų103.155%0.54553%0.529SS..Hα-helixtrans-68.3-36.7179.269.90000111.8K293S289-K293 PolarHBondContact O-N 3.39Å
290E53.7Low58.5Low136 Ų13697.5 Ų97.564%0.63650%0.5SS*.Hα-helixtrans-75.5-38.7-175.8-158135.4-14600111.9Y288 K294Y288-E290 VanDerWaalsContact C-N 3.32Å; E290-K294 WeakPolarHBondContact O-CB 3.41Å; E290-K294 PolarHBondContact O-N 2.75Å
291S77.8Confident61.3Low59 Ų5995.7 Ų95.741%0.41349%0.492SS..Hα-helixtrans-67.2-38.7175.151.60000112.6Y288 L295Y288-S291 WeakPolarHBondContact CA-OG 3.44Å; Y288-S291 PolarHBondContact O-OG 3.43Å; Y288-S291 VanDerWaalsContact O-OG 3.07Å; S291-L295 WeakPolarHBondContact O-CB 3.22Å; S291-L295 PolarHBondContact O-N 2.93Å
292L77.3Confident63.9Low4 Ų496 Ų962%0.02149%0.485CS..Hα-helixtrans-68.7-42.6176.1-109.1171.5000112.8Y288 K294 L295 L296 V320 I340 K343Y288-L292 HydrophobicContact CD1-CD1 3.98Å; Y288-L292 HydrophobicContact CE1-CD1 3.26Å; Y288-L292 HydrophobicContact CE1-CG 4.09Å; Y288-L292 PolarHBondContact O-N 3.37Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-L295 HydrophobicContact CD2-CD2 4.42Å; L292-L295 PolarHBondContact O-N 3.19Å; L292-L296 VanDerWaalsContact O-CG 3.29Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 3.08Å; L292-V320 HydrophobicContact CD2-CG2 4.44Å; L292-I340 HydrophobicContact CD2-CG1 4.01Å; L292-K343 HydrophobicContact CB-CD 4.25Å; L292-K343 HydrophobicContact CD1-CD 4.11Å
293K79.5Confident66.6Low117 Ų11789.7 Ų89.751%0.50946%0.461SS..Hα-helixtrans-59.1-47.9174-96.5-172.5174.4-175.50110.6S289 L295 L296 I297S289-K293 PolarHBondContact O-N 3.39Å; K293-L295 VanDerWaalsContact C-N 3.34Å; K293-L295 PolarHBondContact O-N 3.19Å; K293-L296 PolarHBondContact O-N 2.91Å; K293-I297 WeakPolarHBondContact O-CG1 3.44Å; K293-I297 PolarHBondContact O-N 3.42Å
294K82.4Confident68.9Low142 Ų14286.2 Ų86.262%0.61746%0.459SS*.Hα-helixtrans-60.8-41.5178.1-164.6172.4-175.3175.80112.2E290 L292 I297 N298E290-K294 WeakPolarHBondContact O-CB 3.41Å; E290-K294 PolarHBondContact O-N 2.75Å; L292-K294 VanDerWaalsContact C-N 3.35Å; K294-I297 PolarHBondContact O-N 3.32Å; K294-N298 WeakPolarHBondContact O-CB 3.5Å; K294-N298 VanDerWaalsContact O-CG 3.23Å; K294-N298 PolarHBondContact O-N 3.1Å; K294-N298 PolarHBondContact O-OD1 2.85Å
295L85.9Confident71Confident22 Ų2281.3 Ų81.312%0.11544%0.442CS..Hα-helixtrans-61.1-45.4174.6177.165.6000112.1S291 L292 K293 N298 T299 A316 H319 V320S291-L295 WeakPolarHBondContact O-CB 3.22Å; S291-L295 PolarHBondContact O-N 2.93Å; L292-L295 HydrophobicContact CD2-CD2 4.42Å; L292-L295 PolarHBondContact O-N 3.19Å; K293-L295 VanDerWaalsContact C-N 3.34Å; K293-L295 PolarHBondContact O-N 3.19Å; L295-N298 PolarHBondContact O-N 3.25Å; L295-T299 VanDerWaalsContact O-CB 3.31Å; L295-T299 WeakPolarHBondContact O-CB 3.44Å; L295-T299 PolarHBondContact O-N 3.38Å; L295-T299 PolarHBondContact O-OG1 3.16Å; L295-A316 HydrophobicContact CD2-CB 4.18Å; L295-H319 HydrophobicContact CD1-CB 3.81Å; L295-H319 VanDerWaalsContact CD1-CG 3.47Å; L295-H319 HydrophobicContact CD2-CB 4.14Å; L295-V320 HydrophobicContact CD2-CG2 3.69Å
296L86.2Confident73.1Confident5 Ų582.5 Ų82.53%0.02644%0.441CS..Hα-helixtrans-63.4-46.2179.1-69.8169.1000111.2L292 K293 T299 I300 L312 A316 I340 K343L292-L296 VanDerWaalsContact O-CG 3.29Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 3.08Å; K293-L296 PolarHBondContact O-N 2.91Å; L296-T299 PolarHBondContact O-N 3.19Å; L296-I300 WeakPolarHBondContact O-CD1 3.48Å; L296-I300 VanDerWaalsContact O-CG1 3.23Å; L296-I300 WeakPolarHBondContact O-CG1 3.27Å; L296-I300 PolarHBondContact O-N 3.28Å; L296-L312 HydrophobicContact CD2-CD1 3.91Å; L296-L312 HydrophobicContact CD2-CD2 4.05Å; L296-L312 HydrophobicContact CD2-CG 3.92Å; L296-A316 HydrophobicContact CD2-CB 4.07Å; L296-I340 HydrophobicContact CD2-CG2 3.89Å; L296-K343 HydrophobicContact CD1-CB 4.03Å
297I84.5Confident75.4Confident83 Ų8379.6 Ų79.643%0.42642%0.42SS..Hα-helixtrans-59.7-49.8177-68166.7000110.7K293 K294 T299 I300 N301K293-I297 WeakPolarHBondContact O-CG1 3.44Å; K293-I297 PolarHBondContact O-N 3.42Å; K294-I297 PolarHBondContact O-N 3.32Å; I297-T299 VanDerWaalsContact C-N 3.31Å; I297-T299 PolarHBondContact O-N 3.27Å; I297-I300 PolarHBondContact O-N 3.19Å; I297-N301 WeakPolarHBondContact O-CB 3.22Å; I297-N301 PolarHBondContact O-N 2.98Å; I297-N301 PolarHBondContact O-ND2 3.23Å
298N85.7Confident77.7Confident79 Ų7975 Ų7542%0.42241%0.406SS..Hα-helixtrans-59.6-42.9177.3-72.2-4000111.6K294 L295 I300 N301 D302K294-N298 WeakPolarHBondContact O-CB 3.5Å; K294-N298 VanDerWaalsContact O-CG 3.23Å; K294-N298 PolarHBondContact O-N 3.1Å; K294-N298 PolarHBondContact O-OD1 2.85Å; L295-N298 PolarHBondContact O-N 3.25Å; N298-I300 VanDerWaalsContact C-N 3.28Å; N298-I300 PolarHBondContact O-N 3Å; N298-N301 PolarHBondContact O-N 3.45Å; N298-D302 WeakPolarHBondContact O-CB 3.41Å; N298-D302 PolarHBondContact O-N 2.82Å
299T87.1Confident79.7Confident11 Ų1174.5 Ų74.57%0.06741%0.409CS..Hα-helixtrans-64.6-32.9179.2-54.10000112.6L295 L296 I297 A303 I307 L312 R315L295-T299 VanDerWaalsContact O-CB 3.31Å; L295-T299 WeakPolarHBondContact O-CB 3.44Å; L295-T299 PolarHBondContact O-N 3.38Å; L295-T299 PolarHBondContact O-OG1 3.16Å; L296-T299 PolarHBondContact O-N 3.19Å; I297-T299 VanDerWaalsContact C-N 3.31Å; I297-T299 PolarHBondContact O-N 3.27Å; T299-A303 WeakPolarHBondContact O-CB 3.34Å; T299-A303 PolarHBondContact O-N 3.28Å; T299-I307 HydrophobicContact CG2-CD1 4.34Å; T299-L312 HydrophobicContact CG2-CD1 3.74Å; T299-R315 HydrophobicContact CG2-CB 3.57Å; T299-R315 HydrophobicContact CG2-CG 4.31Å
300I86.8Confident81.4Confident46 Ų4679.7 Ų79.724%0.23642%0.422CS..Hα-helixtrans-73.2-45.3175.2-68.6163.7000110.2L296 I297 N298 A303 G304 G305 I307 L312L296-I300 WeakPolarHBondContact O-CD1 3.48Å; L296-I300 VanDerWaalsContact O-CG1 3.23Å; L296-I300 WeakPolarHBondContact O-CG1 3.27Å; L296-I300 PolarHBondContact O-N 3.28Å; I297-I300 PolarHBondContact O-N 3.19Å; N298-I300 VanDerWaalsContact C-N 3.28Å; N298-I300 PolarHBondContact O-N 3Å; I300-A303 CarbonylContact O-C 3.57Å; I300-A303 WeakPolarHBondContact O-CA 3.01Å; I300-A303 WeakPolarHBondContact O-CB 3.44Å; I300-A303 PolarHBondContact O-N 3.34Å; I300-A303 VanDerWaalsContact O-N 3.08Å; I300-G304 PolarHBondContact O-N 3.12Å; I300-G305 WeakPolarHBondContact O-CA 3.45Å; I300-G305 PolarHBondContact O-N 3.35Å; I300-I307 HydrophobicContact CG1-CG2 3.88Å; I300-L312 HydrophobicContact CG1-CD1 4.02Å
301N83.8Confident82.9Confident101 Ų10179.6 Ų79.654%0.5442%0.419SS..Hα-helixtrans-62-45.5177.5-71.1-18.5000111.5I297 N298 A303 G304I297-N301 WeakPolarHBondContact O-CB 3.22Å; I297-N301 PolarHBondContact O-N 2.98Å; I297-N301 PolarHBondContact O-ND2 3.23Å; N298-N301 PolarHBondContact O-N 3.45Å; N301-A303 PolarHBondContact O-N 3.34Å; N301-A303 VanDerWaalsContact O-N 3.11Å; N301-G304 PolarHBondContact O-N 3.16Å
302D84Confident83.3Confident134 Ų13477.2 Ų77.272%0.71740%0.402SS*.THydrogen-bonded Turntrans-62.2-18.8174.5-71-13.5000113.3N298N298-D302 WeakPolarHBondContact O-CB 3.41Å; N298-D302 PolarHBondContact O-N 2.82Å
303A83.5Confident83.8Confident32 Ų3278 Ų7826%0.26441%0.407SS..THydrogen-bonded Turntrans-93.94.2176.100000113.5T299 I300 N301 I307T299-A303 WeakPolarHBondContact O-CB 3.34Å; T299-A303 PolarHBondContact O-N 3.28Å; I300-A303 CarbonylContact O-C 3.57Å; I300-A303 WeakPolarHBondContact O-CA 3.01Å; I300-A303 WeakPolarHBondContact O-CB 3.44Å; I300-A303 PolarHBondContact O-N 3.34Å; I300-A303 VanDerWaalsContact O-N 3.08Å; N301-A303 PolarHBondContact O-N 3.34Å; N301-A303 VanDerWaalsContact O-N 3.11Å; A303-I307 HydrophobicContact CB-CB 3.78Å; A303-I307 HydrophobicContact CB-CD1 3.9Å; A303-I307 HydrophobicContact CB-CG1 4.25Å
304G77.5Confident84.1Confident67 Ų6780.4 Ų80.469%0.69142%0.417SS*.THydrogen-bonded Turntrans77.532.4-176.500000113.2I300 N301 R306I300-G304 PolarHBondContact O-N 3.12Å; N301-G304 PolarHBondContact O-N 3.16Å; G304-R306 PolarHBondContact O-N 2.92Å
305G77.4Confident84.3Confident43 Ų4379.5 Ų79.544%0.44341%0.41SS..SBendtrans79-7.5175.500000115.2I300I300-G305 WeakPolarHBondContact O-CA 3.45Å; I300-G305 PolarHBondContact O-N 3.35Å
306R78.6Confident84.3Confident226 Ų22678.5 Ų78.585%0.85340%0.404SS*.  trans-136.7117.9179.2-64.7-166.5-90.5-138.3-0.3111.8G304G304-R306 PolarHBondContact O-N 2.92Å
307I85.4Confident84.1Confident39 Ų3978.6 Ų78.620%0.241%0.406CS..  trans-141.2140.9179.7-172164.2000110.5T299 I300 A303 K311 L312T299-I307 HydrophobicContact CG2-CD1 4.34Å; I300-I307 HydrophobicContact CG1-CG2 3.88Å; A303-I307 HydrophobicContact CB-CB 3.78Å; A303-I307 HydrophobicContact CB-CD1 3.9Å; A303-I307 HydrophobicContact CB-CG1 4.25Å; I307-K311 HydrophobicContact CD1-CB 3.84Å; I307-K311 HydrophobicContact CG1-CB 3.59Å; I307-K311 HydrophobicContact CG1-CD 4.47Å; I307-L312 HydrophobicContact CD1-CB 4.43Å; I307-L312 HydrophobicContact CG1-CB 4.43Å; I307-L312 HydrophobicContact CG2-CB 4.09Å; I307-L312 HydrophobicContact CG2-CD1 4.15Å
308S85.9Confident83.9Confident62 Ų6277.5 Ų77.543%0.43441%0.405SS..  trans-69.9144.3174.269.50000110.6K310 K311 L312S308-K310 PolarHBondContact O-N 2.97Å; S308-K310 VanDerWaalsContact O-N 3.11Å; S308-K311 WeakPolarHBondContact O-CA 3.39Å; S308-K311 WeakPolarHBondContact O-CB 3.49Å; S308-K311 PolarHBondContact O-N 3.48Å; S308-K311 PolarHBondContact OG-N 3.35Å; S308-L312 PolarHBondContact O-N 3.07Å
309L82.9Confident83.7Confident79 Ų7978.8 Ų78.841%0.41441%0.409SS..Hα-helixtrans-49.9-42.3177.7-174.964.8000111.9K311 L312 V313 S344L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3Å; L309-L312 PolarHBondContact O-N 3.27Å; L309-V313 HydrophobicContact CD1-CG2 4.24Å; L309-V313 HydrophobicContact CG-CG2 4.3Å; L309-V313 WeakPolarHBondContact O-CB 3.36Å; L309-V313 VanDerWaalsContact O-CG2 3.23Å; L309-V313 WeakPolarHBondContact O-CG2 3.32Å; L309-V313 PolarHBondContact O-N 3.47Å; L309-S344 VanDerWaalsContact CD1-OG 3.28Å; L309-S344 WeakPolarHBondContact CD1-OG 3.39Å
310K83.3Confident83.2Confident186 Ų18680 Ų8081%0.80942%0.416SS*.Hα-helixtrans-59-38.9176.6-132.5174.8-168.9166.50113.4S308 K314S308-K310 PolarHBondContact O-N 2.97Å; S308-K310 VanDerWaalsContact O-N 3.11Å; K310-K314 WeakPolarHBondContact O-CB 3.41Å; K310-K314 PolarHBondContact O-N 3.49Å
311K85.2Confident82.5Confident134 Ų13481.8 Ų81.858%0.58343%0.426SS*.Hα-helixtrans-77.2-38.2176.3-79.4178.8-178.61710111.5I307 S308 L309 K314 R315I307-K311 HydrophobicContact CD1-CB 3.84Å; I307-K311 HydrophobicContact CG1-CB 3.59Å; I307-K311 HydrophobicContact CG1-CD 4.47Å; S308-K311 WeakPolarHBondContact O-CA 3.39Å; S308-K311 WeakPolarHBondContact O-CB 3.49Å; S308-K311 PolarHBondContact O-N 3.48Å; S308-K311 PolarHBondContact OG-N 3.35Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3Å; K311-K314 PolarHBondContact O-N 3.08Å; K311-R315 WeakPolarHBondContact O-CB 3.3Å; K311-R315 WeakPolarHBondContact O-CG 3.49Å; K311-R315 PolarHBondContact O-N 3.08Å
312L87.2Confident81.8Confident10 Ų1082.5 Ų82.55%0.05243%0.429CS..Hα-helixtrans-60.2-54.3176.4-178.563.3000110.4L296 T299 I300 I307 S308 L309 K314 R315 A316L296-L312 HydrophobicContact CD2-CD1 3.91Å; L296-L312 HydrophobicContact CD2-CD2 4.05Å; L296-L312 HydrophobicContact CD2-CG 3.92Å; T299-L312 HydrophobicContact CG2-CD1 3.74Å; I300-L312 HydrophobicContact CG1-CD1 4.02Å; I307-L312 HydrophobicContact CD1-CB 4.43Å; I307-L312 HydrophobicContact CG1-CB 4.43Å; I307-L312 HydrophobicContact CG2-CB 4.09Å; I307-L312 HydrophobicContact CG2-CD1 4.15Å; S308-L312 PolarHBondContact O-N 3.07Å; L309-L312 PolarHBondContact O-N 3.27Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.43Å; L312-R315 PolarHBondContact O-N 3.39Å; L312-R315 VanDerWaalsContact O-N 3.15Å; L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.18Å
313V87.2Confident80.7Confident20 Ų2078.6 Ų78.612%0.12141%0.412CS..Hα-helixtrans-54.2-48175173.50000110.3L309 R315 S317 K337 I340 V341L309-V313 HydrophobicContact CD1-CG2 4.24Å; L309-V313 HydrophobicContact CG-CG2 4.3Å; L309-V313 WeakPolarHBondContact O-CB 3.36Å; L309-V313 VanDerWaalsContact O-CG2 3.23Å; L309-V313 WeakPolarHBondContact O-CG2 3.32Å; L309-V313 PolarHBondContact O-N 3.47Å; V313-R315 PolarHBondContact O-N 2.97Å; V313-S317 WeakPolarHBondContact O-CB 3.16Å; V313-S317 PolarHBondContact O-N 2.92Å; V313-S317 PolarHBondContact O-OG 2.88Å; V313-K337 HydrophobicContact CG1-CB 4.17Å; V313-K337 HydrophobicContact CG1-CG 3.79Å; V313-I340 HydrophobicContact CB-CG2 4.44Å; V313-I340 HydrophobicContact CG2-CG2 3.88Å; V313-V341 HydrophobicContact CG2-CG2 3.77Å
314K85.9Confident79.1Confident168 Ų16884.9 Ų84.973%0.7344%0.441SS*.Hα-helixtrans-60.6-42.6179.5-173.8176.2-179.8177.70113.2K310 K311 L312 S318K310-K314 WeakPolarHBondContact O-CB 3.41Å; K310-K314 PolarHBondContact O-N 3.49Å; K311-K314 PolarHBondContact O-N 3.08Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.43Å; K314-S318 WeakPolarHBondContact O-CB 3.45Å; K314-S318 PolarHBondContact O-N 3.36Å
315R87.2Confident77.8Confident123 Ų12389.1 Ų89.146%0.46445%0.448SS..Hα-helixtrans-71.5-49.6179.9-77.7-174.7171.3178-7.4111.6T299 K311 L312 V313 S318 H319T299-R315 HydrophobicContact CG2-CB 3.57Å; T299-R315 HydrophobicContact CG2-CG 4.31Å; K311-R315 WeakPolarHBondContact O-CB 3.3Å; K311-R315 WeakPolarHBondContact O-CG 3.49Å; K311-R315 PolarHBondContact O-N 3.08Å; L312-R315 PolarHBondContact O-N 3.39Å; L312-R315 VanDerWaalsContact O-N 3.15Å; V313-R315 PolarHBondContact O-N 2.97Å; R315-S318 WeakPolarHBondContact O-CB 3.48Å; R315-S318 PolarHBondContact O-N 3.22Å; R315-H319 PolarHBondContact O-N 2.9Å
316A84.7Confident76.1Confident0 Ų095.1 Ų95.10%047%0.465CS..Hα-helixtrans-64.4-43.9179.800000111.7L295 L296 L312 S318 H319 V320 I340L295-A316 HydrophobicContact CD2-CB 4.18Å; L296-A316 HydrophobicContact CD2-CB 4.07Å; L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.18Å; A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.02Å; A316-H319 PolarHBondContact O-N 3.34Å; A316-H319 VanDerWaalsContact O-N 3.16Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 2.79Å; A316-I340 HydrophobicContact CB-CD1 3.7Å; A316-I340 HydrophobicContact CB-CG1 4.23Å; A316-I340 HydrophobicContact CB-CG2 4.32Å
317S82.2Confident74.2Confident8 Ų893.7 Ų93.76%0.05647%0.465CS..Hα-helixtrans-61.9-37.9174.5-61.60000112.1V313 H319 L321 I340V313-S317 WeakPolarHBondContact O-CB 3.16Å; V313-S317 PolarHBondContact O-N 2.92Å; V313-S317 PolarHBondContact O-OG 2.88Å; S317-H319 VanDerWaalsContact C-N 3.32Å; S317-L321 VanDerWaalsContact O-CB 3.27Å; S317-L321 WeakPolarHBondContact O-CB 3.47Å; S317-L321 WeakPolarHBondContact O-CD1 3.39Å; S317-L321 WeakPolarHBondContact O-CG 3.27Å; S317-L321 PolarHBondContact O-N 2.94Å; S317-I340 WeakPolarHBondContact OG-CD1 3.39Å
318S80.9Confident71.9Confident59 Ų59100.6 Ų100.641%0.41350%0.496SS..Hα-helixtrans-65.8-36.4176.1-1710000112.1K314 R315 A316 N322K314-S318 WeakPolarHBondContact O-CB 3.45Å; K314-S318 PolarHBondContact O-N 3.36Å; R315-S318 WeakPolarHBondContact O-CB 3.48Å; R315-S318 PolarHBondContact O-N 3.22Å; A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.02Å; S318-N322 WeakPolarHBondContact O-CB 3.22Å; S318-N322 PolarHBondContact O-N 3.07Å; S318-N322 PolarHBondContact O-ND2 3.26Å; S318-N322 VanDerWaalsContact O-ND2 3.15Å; S318-N322 PolarHBondContact OG-ND2 3.03Å
319H80.5Confident70.1Confident107 Ų107102.9 Ų102.950%0.49551%0.507SS..Hα-helixtrans-70.7-44.3177.8-166-63.2000111.1L295 R315 A316 S317 L321 N322 S323L295-H319 HydrophobicContact CD1-CB 3.81Å; L295-H319 VanDerWaalsContact CD1-CG 3.47Å; L295-H319 HydrophobicContact CD2-CB 4.14Å; R315-H319 PolarHBondContact O-N 2.9Å; A316-H319 PolarHBondContact O-N 3.34Å; A316-H319 VanDerWaalsContact O-N 3.16Å; S317-H319 VanDerWaalsContact C-N 3.32Å; H319-L321 PolarHBondContact O-N 2.89Å; H319-N322 PolarHBondContact O-N 2.75Å; H319-S323 PolarHBondContact ND1-OG 2.92Å; H319-S323 PolarHBondContact O-N 3.19Å; H319-S323 PolarHBondContact O-OG 2.76Å; H319-S323 VanDerWaalsContact O-OG 3.1Å
320V76.3Confident68.5Low36 Ų36104.4 Ų104.422%0.21853%0.525CS..Hα-helixtrans-64.4-38.6178.2174.70000111.9L292 L295 A316 V336L292-V320 HydrophobicContact CD2-CG2 4.44Å; L295-V320 HydrophobicContact CD2-CG2 3.69Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 2.79Å; V320-V336 HydrophobicContact CB-CG1 4.02Å; V320-V336 HydrophobicContact CG1-CG1 3.85Å; V320-V336 HydrophobicContact CG1-CG2 4.17Å; V320-V336 HydrophobicContact CG2-CG1 4.48Å
321L72.9Confident67.6Low84 Ų8497.8 Ų97.844%0.4450%0.498SS..Hα-helixtrans-78.4-17.2179.5-68.1168000113.8S317 H319 K333S317-L321 VanDerWaalsContact O-CB 3.27Å; S317-L321 WeakPolarHBondContact O-CB 3.47Å; S317-L321 WeakPolarHBondContact O-CD1 3.39Å; S317-L321 WeakPolarHBondContact O-CG 3.27Å; S317-L321 PolarHBondContact O-N 2.94Å; H319-L321 PolarHBondContact O-N 2.89Å; L321-K333 HydrophobicContact CD1-CG 4.19Å
322N68.1Low66.9Low116 Ų11695.1 Ų95.162%0.6249%0.493SS*.Hα-helixtrans-103.9-11.3-179.4-68.5-11.5000113.4S318 H319 N324S318-N322 WeakPolarHBondContact O-CB 3.22Å; S318-N322 PolarHBondContact O-N 3.07Å; S318-N322 PolarHBondContact O-ND2 3.26Å; S318-N322 VanDerWaalsContact O-ND2 3.15Å; S318-N322 PolarHBondContact OG-ND2 3.03Å; H319-N322 PolarHBondContact O-N 2.75Å; N322-N324 PolarHBondContact O-N 3.32Å
323S62.3Low66.2Low51 Ų51100.8 Ų100.836%0.35752%0.517SS..  trans-71.7109.7173.6-750000109.3H319 D325H319-S323 PolarHBondContact ND1-OG 2.92Å; H319-S323 PolarHBondContact O-N 3.19Å; H319-S323 PolarHBondContact O-OG 2.76Å; H319-S323 VanDerWaalsContact O-OG 3.1Å; S323-D325 PolarHBondContact O-N 3.12Å
324N49.7Very low65.6Low164 Ų164105.2 Ų105.288%0.87754%0.536SS*.  trans-66.914.1179.8-88.6-16.9000115.1N322 Q326N322-N324 PolarHBondContact O-N 3.32Å; N324-Q326 VanDerWaalsContact C-N 3.27Å; N324-Q326 PolarHBondContact O-N 3.32Å; N324-Q326 VanDerWaalsContact O-N 3.12Å
325D49Very low65.1Low157 Ų157101.6 Ų101.684%0.8452%0.522SS*.  trans-87.864.7173.8-69.8-36.2000110S323 K327S323-D325 PolarHBondContact O-N 3.12Å; D325-K327 PolarHBondContact O-N 3.39Å
326Q43.4Very low64.6Low169 Ų16995.9 Ų95.979%0.7950%0.501SS*.  trans-92.591166.1-75.1-159.9-0.300109.8N324N324-Q326 VanDerWaalsContact C-N 3.27Å; N324-Q326 PolarHBondContact O-N 3.32Å; N324-Q326 VanDerWaalsContact O-N 3.12Å
327K39Very low64.3Low196 Ų19698.9 Ų98.985%0.85251%0.514SS*.  trans-111.5120.6137.8-87.7-174.2176.7-177.80107.4D325D325-K327 PolarHBondContact O-N 3.39Å
328E36.3Very low64.3Low184 Ų184102.1 Ų102.186%0.8654%0.537SS*.SBendtrans73.1132.5167.3-64.8177.2149.400117.9
329V48.5Very low64.2Low110 Ų110103.5 Ų103.567%0.66754%0.535SS*.  trans82.7100.7175.2-160.40000115.4L331V329-L331 HydrophobicContact CB-CD1 3.96Å; V329-L331 HydrophobicContact CG1-CD1 3.59Å; V329-L331 HydrophobicContact CG1-CG 4.16Å; V329-L331 PolarHBondContact O-N 3.16Å
330S49.6Very low64.1Low111 Ų11198.4 Ų98.478%0.77651%0.512SS*.  trans-67.275.9167.857.20000110.9T332S330-T332 PolarHBondContact O-N 2.76Å
331L62.8Low64.3Low47 Ų4799 Ų9925%0.24652%0.516CS..  trans-72.5122.3172.6-86108.4000110.5V329 E335 V336 K339V329-L331 HydrophobicContact CB-CD1 3.96Å; V329-L331 HydrophobicContact CG1-CD1 3.59Å; V329-L331 HydrophobicContact CG1-CG 4.16Å; V329-L331 PolarHBondContact O-N 3.16Å; L331-E335 HydrophobicContact CD2-CB 3.96Å; L331-V336 HydrophobicContact CB-CG2 3.88Å; L331-V336 HydrophobicContact CD2-CG2 4.2Å; L331-K339 HydrophobicContact CD2-CD 3.99Å
332T71.9Confident64.7Low77 Ų77100 Ų10047%0.47252%0.518SS..  trans-65.6153.9170.6650000110.6S330 E334 E335 V336S330-T332 PolarHBondContact O-N 2.76Å; T332-E334 PolarHBondContact O-N 3.47Å; T332-E334 VanDerWaalsContact O-N 3.1Å; T332-E335 WeakPolarHBondContact CB-OE2 3.44Å; T332-E335 PolarHBondContact N-OE2 3.49Å; T332-E335 PolarHBondContact O-N 2.98Å; T332-E335 VanDerWaalsContact O-N 3.09Å; T332-E335 VanDerWaalsContact OG1-CD 3.27Å; T332-E335 VanDerWaalsContact OG1-CG 3.23Å; T332-E335 WeakPolarHBondContact OG1-CG 3.29Å; T332-E335 PolarHBondContact OG1-N 3.19Å; T332-E335 PolarHBondContact OG1-OE2 3.21Å; T332-V336 PolarHBondContact O-N 3.21Å; T332-V336 VanDerWaalsContact O-N 3.11Å
333K72.7Confident65.2Low130 Ų13096.7 Ų96.757%0.56550%0.498SS*.Hα-helixtrans-55.9-29177.1-175.2174.2-176.3176.90113.1L321 K337L321-K333 HydrophobicContact CD1-CG 4.19Å; K333-K337 VanDerWaalsContact O-CG 3.26Å; K333-K337 WeakPolarHBondContact O-CG 3.22Å; K333-K337 PolarHBondContact O-N 2.89Å
334E74.3Confident65.7Low113 Ų11394.8 Ų94.853%0.52848%0.484SS..Hα-helixtrans-77.5-40177.4-65.6-52.2129.300112T332 V336 K337 S338T332-E334 PolarHBondContact O-N 3.47Å; T332-E334 VanDerWaalsContact O-N 3.1Å; E334-V336 VanDerWaalsContact C-N 3.34Å; E334-V336 PolarHBondContact O-N 2.88Å; E334-K337 PolarHBondContact O-N 3.09Å; E334-K337 IonicContact OE1-NZ 3.66Å; E334-K337 PolarHBondContact OE1-NZ 3.33Å; E334-K337 IonicContact OE2-NZ 3.88Å; E334-S338 PolarHBondContact O-N 2.88Å; E334-S338 PolarHBondContact O-OG 2.9Å
335E75.8Confident66.7Low92 Ų9291.6 Ų91.643%0.4347%0.466SS..Hα-helixtrans-63.3-39.8175.2-70.5164.4133.100112.2L331 T332 K337 S338 K339L331-E335 HydrophobicContact CD2-CB 3.96Å; T332-E335 WeakPolarHBondContact CB-OE2 3.44Å; T332-E335 PolarHBondContact N-OE2 3.49Å; T332-E335 PolarHBondContact O-N 2.98Å; T332-E335 VanDerWaalsContact O-N 3.09Å; T332-E335 VanDerWaalsContact OG1-CD 3.27Å; T332-E335 VanDerWaalsContact OG1-CG 3.23Å; T332-E335 WeakPolarHBondContact OG1-CG 3.29Å; T332-E335 PolarHBondContact OG1-N 3.19Å; T332-E335 PolarHBondContact OG1-OE2 3.21Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 2.84Å; E335-S338 PolarHBondContact O-N 2.7Å; E335-K339 WeakPolarHBondContact O-CB 3.18Å; E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 3.37Å
336V75.2Confident67.6Low3 Ų390.2 Ų90.22%0.01845%0.453CS..Hα-helixtrans-61.6-42.7174.9175.80000110.9V320 L331 T332 E334 I340V320-V336 HydrophobicContact CB-CG1 4.02Å; V320-V336 HydrophobicContact CG1-CG1 3.85Å; V320-V336 HydrophobicContact CG1-CG2 4.17Å; V320-V336 HydrophobicContact CG2-CG1 4.48Å; L331-V336 HydrophobicContact CB-CG2 3.88Å; L331-V336 HydrophobicContact CD2-CG2 4.2Å; T332-V336 PolarHBondContact O-N 3.21Å; T332-V336 VanDerWaalsContact O-N 3.11Å; E334-V336 VanDerWaalsContact C-N 3.34Å; E334-V336 PolarHBondContact O-N 2.88Å; V336-I340 HydrophobicContact CG1-CD1 3.77Å; V336-I340 WeakPolarHBondContact O-CB 3.35Å; V336-I340 WeakPolarHBondContact O-CD1 3.37Å; V336-I340 WeakPolarHBondContact O-CG1 3.43Å; V336-I340 PolarHBondContact O-N 3.41Å
337K79.9Confident68.4Low62 Ų6285.3 Ų85.327%0.2744%0.435SS..Hα-helixtrans-65.2-46.3177.3-72.5169.5-176.9171.40111.7V313 K333 E334 E335 K339 I340 V341V313-K337 HydrophobicContact CG1-CB 4.17Å; V313-K337 HydrophobicContact CG1-CG 3.79Å; K333-K337 VanDerWaalsContact O-CG 3.26Å; K333-K337 WeakPolarHBondContact O-CG 3.22Å; K333-K337 PolarHBondContact O-N 2.89Å; E334-K337 PolarHBondContact O-N 3.09Å; E334-K337 IonicContact OE1-NZ 3.66Å; E334-K337 PolarHBondContact OE1-NZ 3.33Å; E334-K337 IonicContact OE2-NZ 3.88Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 2.84Å; K337-K339 PolarHBondContact O-N 3.39Å; K337-I340 PolarHBondContact O-N 2.92Å; K337-V341 WeakPolarHBondContact O-CG2 3.45Å; K337-V341 PolarHBondContact O-N 3.44Å
338S80.2Confident69Low77 Ų7781.2 Ų81.254%0.53843%0.431SS..Hα-helixtrans-60.2-46178.4-71.40000111.6E334 E335 I340 V341 E342E334-S338 PolarHBondContact O-N 2.88Å; E334-S338 PolarHBondContact O-OG 2.9Å; E335-S338 PolarHBondContact O-N 2.7Å; S338-I340 VanDerWaalsContact C-N 3.3Å; S338-I340 PolarHBondContact O-N 3.07Å; S338-V341 PolarHBondContact O-N 3.35Å; S338-E342 WeakPolarHBondContact O-CB 3.43Å; S338-E342 PolarHBondContact O-N 3.22Å
339K80.2Confident69Low87 Ų8781.7 Ų81.738%0.37844%0.438SS..Hα-helixtrans-61.7-35.9176.2-76.6-171.4178.2-168.30113.1L331 E335 K337 K343L331-K339 HydrophobicContact CD2-CD 3.99Å; E335-K339 WeakPolarHBondContact O-CB 3.18Å; E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 3.37Å; K337-K339 PolarHBondContact O-N 3.39Å; K339-K343 WeakPolarHBondContact O-CB 3.39Å; K339-K343 PolarHBondContact O-N 3.13Å
340I78.4Confident70.1Confident0 Ų080.3 Ų80.30%043%0.427CS..Hα-helixtrans-68.2-47.1175.3-71.7161.4000110.4L292 L296 V313 A316 S317 V336 K337 S338 K343 S344L292-I340 HydrophobicContact CD2-CG1 4.01Å; L296-I340 HydrophobicContact CD2-CG2 3.89Å; V313-I340 HydrophobicContact CB-CG2 4.44Å; V313-I340 HydrophobicContact CG2-CG2 3.88Å; A316-I340 HydrophobicContact CB-CD1 3.7Å; A316-I340 HydrophobicContact CB-CG1 4.23Å; A316-I340 HydrophobicContact CB-CG2 4.32Å; S317-I340 WeakPolarHBondContact OG-CD1 3.39Å; V336-I340 HydrophobicContact CG1-CD1 3.77Å; V336-I340 WeakPolarHBondContact O-CB 3.35Å; V336-I340 WeakPolarHBondContact O-CD1 3.37Å; V336-I340 WeakPolarHBondContact O-CG1 3.43Å; V336-I340 PolarHBondContact O-N 3.41Å; K337-I340 PolarHBondContact O-N 2.92Å; S338-I340 VanDerWaalsContact C-N 3.3Å; S338-I340 PolarHBondContact O-N 3.07Å; I340-K343 PolarHBondContact O-N 3.46Å; I340-S344 WeakPolarHBondContact O-CB 3.35Å; I340-S344 PolarHBondContact O-N 2.76Å; I340-S344 PolarHBondContact O-OG 2.82Å
341V81Confident71.1Confident50 Ų5078.7 Ų78.730%0.30341%0.408SS..Hα-helixtrans-59.7-50.2179.7171.30000110.6V313 K337 S338 K343 S344 I345V313-V341 HydrophobicContact CG2-CG2 3.77Å; K337-V341 WeakPolarHBondContact O-CG2 3.45Å; K337-V341 PolarHBondContact O-N 3.44Å; S338-V341 PolarHBondContact O-N 3.35Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.18Å; V341-S344 VanDerWaalsContact CA-OG 3.3Å; V341-S344 WeakPolarHBondContact CA-OG 3.49Å; V341-S344 PolarHBondContact O-N 3.25Å; V341-S344 PolarHBondContact O-OG 2.92Å; V341-I345 HydrophobicContact CG1-CD1 3.99Å; V341-I345 WeakPolarHBondContact O-CG1 3.15Å; V341-I345 PolarHBondContact O-N 3.29Å; V341-I345 VanDerWaalsContact O-N 3.08Å
342E81.1Confident71.6Confident104 Ų10480.4 Ų80.449%0.48642%0.417SS..Hα-helixtrans-57.9-44.8179.5-163.9-158.4147.800112S338 I345 K346S338-E342 WeakPolarHBondContact O-CB 3.43Å; S338-E342 PolarHBondContact O-N 3.22Å; E342-I345 PolarHBondContact O-N 3.18Å; E342-K346 PolarHBondContact O-N 2.91Å; E342-K346 IonicContact OE1-NZ 2.75Å; E342-K346 PolarHBondContact OE1-NZ 3.27Å
343K78.1Confident71.6Confident46 Ų4680.6 Ų80.620%0.241%0.414CS..Hα-helixtrans-71.5-33.5177.7-83.2169.6175.3178.30113.4L292 L296 K339 I340 V341 I345 K346 V347L292-K343 HydrophobicContact CB-CD 4.25Å; L292-K343 HydrophobicContact CD1-CD 4.11Å; L296-K343 HydrophobicContact CD1-CB 4.03Å; K339-K343 WeakPolarHBondContact O-CB 3.39Å; K339-K343 PolarHBondContact O-N 3.13Å; I340-K343 PolarHBondContact O-N 3.46Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.18Å; K343-I345 VanDerWaalsContact C-N 3.29Å; K343-I345 PolarHBondContact O-N 2.88Å; K343-K346 PolarHBondContact O-N 2.91Å; K343-V347 VanDerWaalsContact O-CG2 3.26Å; K343-V347 WeakPolarHBondContact O-CG2 3.38Å; K343-V347 PolarHBondContact O-N 3.18Å; K343-V347 VanDerWaalsContact O-N 3.16Å
344S72.6Confident71.5Confident11 Ų1177.6 Ų77.68%0.07740%0.404CS..Hα-helixtrans-68.3-28.9175.247.70000113.1L309 I340 V341 S348L309-S344 VanDerWaalsContact CD1-OG 3.28Å; L309-S344 WeakPolarHBondContact CD1-OG 3.39Å; I340-S344 WeakPolarHBondContact O-CB 3.35Å; I340-S344 PolarHBondContact O-N 2.76Å; I340-S344 PolarHBondContact O-OG 2.82Å; V341-S344 VanDerWaalsContact CA-OG 3.3Å; V341-S344 WeakPolarHBondContact CA-OG 3.49Å; V341-S344 PolarHBondContact O-N 3.25Å; V341-S344 PolarHBondContact O-OG 2.92Å; S344-S348 PolarHBondContact O-N 3.5Å; S344-S348 PolarHBondContact O-OG 3.4Å
345I70.4Confident71.3Confident97 Ų9775.2 Ų75.250%0.49740%0.396SS..Hα-helixtrans-69.7-44.8172-65.3164.9000109.9V341 E342 K343 V347 S348 L349V341-I345 HydrophobicContact CG1-CD1 3.99Å; V341-I345 WeakPolarHBondContact O-CG1 3.15Å; V341-I345 PolarHBondContact O-N 3.29Å; V341-I345 VanDerWaalsContact O-N 3.08Å; E342-I345 PolarHBondContact O-N 3.18Å; K343-I345 VanDerWaalsContact C-N 3.29Å; K343-I345 PolarHBondContact O-N 2.88Å; I345-V347 PolarHBondContact O-N 2.96Å; I345-S348 PolarHBondContact O-N 2.93Å; I345-L349 HydrophobicContact CG2-CD1 4.49Å; I345-L349 PolarHBondContact O-N 3.18Å
346K67.5Low71Confident129 Ų12974 Ų7456%0.56139%0.394SS*.THydrogen-bonded Turntrans-67.8-8.1175.9-73.8174.4174.7165.90115.7E342 K343E342-K346 PolarHBondContact O-N 2.91Å; E342-K346 IonicContact OE1-NZ 2.75Å; E342-K346 PolarHBondContact OE1-NZ 3.27Å; K343-K346 PolarHBondContact O-N 2.91Å
347V60.4Low70.7Confident66 Ų6679.5 Ų79.540%0.442%0.423SS..THydrogen-bonded Turntrans-105-12.3175.9172.90000111.5K343 I345K343-V347 VanDerWaalsContact O-CG2 3.26Å; K343-V347 WeakPolarHBondContact O-CG2 3.38Å; K343-V347 PolarHBondContact O-N 3.18Å; K343-V347 VanDerWaalsContact O-N 3.16Å; I345-V347 PolarHBondContact O-N 2.96Å
348S51.1Low69.9Low110 Ų11080.9 Ų80.977%0.76944%0.435SS*.THydrogen-bonded Turntrans-96.2-13.3175.4-54.70000113S344 I345S344-S348 PolarHBondContact O-N 3.5Å; S344-S348 PolarHBondContact O-OG 3.4Å; I345-S348 PolarHBondContact O-N 2.93Å
349L38Very low69Low194 Ų19481.3 Ų81.3100%1.01643%0.426SS*.  trans-92.10160.4-71.7159.1000107.8I345I345-L349 HydrophobicContact CG2-CD1 4.49Å; I345-L349 PolarHBondContact O-N 3.18Å

Retrieved 349 of 349 residues in 262.1 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).