A0A077Z3E0_TRITR Loading...

Zf-C4H2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3E0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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
1M86.2Confident95.4Very high205 Ų205124.8 Ų124.8100%1.0160%0.596SS**  0-71.80-70.7-89.9-92.100112.1N3 M4 F5M1-N3 PolarHBondContact O-N 3.3Å; M1-M4 PolarHBondContact O-N 3.2Å; M1-M4 VanDerWaalsContact O-N 3.1Å; M1-F5 PolarHBondContact O-N 3.35Å; M1-F5 VanDerWaalsContact O-N 3.09Å
2R94.5Very high95.5Very high211 Ų211121 Ų12180%0.79659%0.591SS**Hα-helixtrans-53-48.7-177.9-171.8176.7-174.7145.50.7114.6M4 F5 V6R2-M4 VanDerWaalsContact C-N 3.29Å; R2-M4 PolarHBondContact O-N 3.21Å; R2-F5 WeakPolarHBondContact O-CB 3.47Å; R2-F5 PolarHBondContact O-N 3.01Å; R2-V6 WeakPolarHBondContact O-CG2 3.45Å; R2-V6 PolarHBondContact O-N 3.26Å
3N94.5Very high95.7Very high138 Ų138121.2 Ų121.274%0.73859%0.587SS**Hα-helixtrans-63-34.5-179.9-65.6-12.1000113M1 K7M1-N3 PolarHBondContact O-N 3.3Å; N3-K7 WeakPolarHBondContact O-CB 3.29Å; N3-K7 PolarHBondContact O-N 3.44Å
4M95.2Very high95.8Very high134 Ų134117.5 Ų117.566%0.6658%0.575SS**Hα-helixtrans-69.1-42.2175.8-70.8177.865.100111.4M1 R2 K7 Q8M1-M4 PolarHBondContact O-N 3.2Å; M1-M4 VanDerWaalsContact O-N 3.1Å; R2-M4 VanDerWaalsContact C-N 3.29Å; R2-M4 PolarHBondContact O-N 3.21Å; M4-K7 PolarHBondContact O-N 3Å; M4-Q8 WeakPolarHBondContact O-CG 3.29Å; M4-Q8 PolarHBondContact O-N 2.85Å
5F96.1Very high95.9Very high144 Ų144117.1 Ų117.163%0.63257%0.571SS**Hα-helixtrans-59.2-47.9175.5174.7-95000111.5M1 R2 K7 Q8 M9M1-F5 PolarHBondContact O-N 3.35Å; M1-F5 VanDerWaalsContact O-N 3.09Å; R2-F5 WeakPolarHBondContact O-CB 3.47Å; R2-F5 PolarHBondContact O-N 3.01Å; F5-K7 VanDerWaalsContact C-N 3.34Å; F5-K7 PolarHBondContact O-N 3.21Å; F5-Q8 PolarHBondContact O-N 2.85Å; F5-M9 PolarHBondContact O-N 3.39Å
6V97Very high96.1Very high58 Ų58115.2 Ų115.235%0.35257%0.569SS.*Hα-helixtrans-58.5-47.1177174.70000110.7R2 Q8 M9 D10R2-V6 WeakPolarHBondContact O-CG2 3.45Å; R2-V6 PolarHBondContact O-N 3.26Å; V6-Q8 VanDerWaalsContact C-N 3.35Å; V6-Q8 PolarHBondContact O-N 3Å; V6-M9 WeakPolarHBondContact O-CB 3.48Å; V6-M9 PolarHBondContact O-N 3.1Å; V6-M9 VanDerWaalsContact O-N 3.16Å; V6-D10 PolarHBondContact O-N 3.49Å
7K96.7Very high96.2Very high148 Ų148110.3 Ų110.364%0.64356%0.555SS**Hα-helixtrans-58.9-43.1177-172.8178.8179.2-177.30112.6N3 M4 F5 D10 V11N3-K7 WeakPolarHBondContact O-CB 3.29Å; N3-K7 PolarHBondContact O-N 3.44Å; M4-K7 PolarHBondContact O-N 3Å; F5-K7 VanDerWaalsContact C-N 3.34Å; F5-K7 PolarHBondContact O-N 3.21Å; K7-D10 PolarHBondContact O-N 2.87Å; K7-V11 WeakPolarHBondContact O-CG2 3.46Å; K7-V11 PolarHBondContact O-N 2.93Å
8Q96.9Very high96.3Very high123 Ų123109.8 Ų109.858%0.57555%0.546SS*.Hα-helixtrans-67.4-36.4177.5-70.5-60.8-19.100112.3M4 F5 V6 D10 V11 C12M4-Q8 WeakPolarHBondContact O-CG 3.29Å; M4-Q8 PolarHBondContact O-N 2.85Å; F5-Q8 PolarHBondContact O-N 2.85Å; V6-Q8 VanDerWaalsContact C-N 3.35Å; V6-Q8 PolarHBondContact O-N 3Å; Q8-D10 VanDerWaalsContact C-N 3.34Å; Q8-V11 PolarHBondContact O-N 3.43Å; Q8-C12 WeakPolarHBondContact O-CB 3.37Å; Q8-C12 PolarHBondContact O-N 3.5Å
9M97.2Very high96.4Very high74 Ų74109.6 Ų109.637%0.36555%0.546SS..Hα-helixtrans-64.4-39.8174-172.6-170.757.900111.4F5 V6 C12 K13F5-M9 PolarHBondContact O-N 3.39Å; V6-M9 WeakPolarHBondContact O-CB 3.48Å; V6-M9 PolarHBondContact O-N 3.1Å; V6-M9 VanDerWaalsContact O-N 3.16Å; M9-C12 PolarHBondContact O-N 3.33Å; M9-K13 WeakPolarHBondContact O-CG 3.38Å; M9-K13 PolarHBondContact O-N 3.28Å
10D97.4Very high96.5Very high74 Ų74108.1 Ų108.140%0.39655%0.547SS..Hα-helixtrans-67.4-38.4176.3-65.4-29.8000112V6 K7 Q8 K13 T14V6-D10 PolarHBondContact O-N 3.49Å; K7-D10 PolarHBondContact O-N 2.87Å; Q8-D10 VanDerWaalsContact C-N 3.34Å; D10-K13 PolarHBondContact O-N 3.01Å; D10-T14 WeakPolarHBondContact O-CB 3.44Å; D10-T14 PolarHBondContact O-N 3.18Å; D10-T14 PolarHBondContact O-OG1 2.92Å
11V97.4Very high96.5Very high64 Ų64108.8 Ų108.839%0.38855%0.548SS..Hα-helixtrans-59.4-49.3170171.50000110.1K7 Q8 K13 T14 E15K7-V11 WeakPolarHBondContact O-CG2 3.46Å; K7-V11 PolarHBondContact O-N 2.93Å; Q8-V11 PolarHBondContact O-N 3.43Å; V11-K13 VanDerWaalsContact C-N 3.33Å; V11-K13 PolarHBondContact O-N 3.39Å; V11-T14 WeakPolarHBondContact O-CB 3.33Å; V11-T14 PolarHBondContact O-N 2.88Å; V11-E15 HydrophobicContact CG1-CG 4.17Å; V11-E15 WeakPolarHBondContact O-CG 3.44Å; V11-E15 PolarHBondContact O-N 3.44Å
12C97.5Very high97.1Very high79 Ų79106.3 Ų106.353%0.53453%0.529SS..Hα-helixtrans-59-41.4179.6-174.80000112.7Q8 M9 T14 E15 T16Q8-C12 WeakPolarHBondContact O-CB 3.37Å; Q8-C12 PolarHBondContact O-N 3.5Å; M9-C12 PolarHBondContact O-N 3.33Å; C12-T14 VanDerWaalsContact C-N 3.34Å; C12-E15 PolarHBondContact O-N 2.81Å; C12-T16 WeakPolarHBondContact O-CB 3.29Å; C12-T16 PolarHBondContact O-N 2.94Å; C12-T16 PolarHBondContact O-OG1 2.97Å
13K97.1Very high97.3Very high124 Ų124100.8 Ų100.854%0.53952%0.515SS..Hα-helixtrans-62.1-42.2173.7-72.3172.5-176.3172.60112.1M9 D10 V11 T16 G17M9-K13 WeakPolarHBondContact O-CG 3.38Å; M9-K13 PolarHBondContact O-N 3.28Å; D10-K13 PolarHBondContact O-N 3.01Å; V11-K13 VanDerWaalsContact C-N 3.33Å; V11-K13 PolarHBondContact O-N 3.39Å; K13-T16 PolarHBondContact O-N 3.47Å; K13-G17 PolarHBondContact O-N 3Å; K13-G17 VanDerWaalsContact O-N 3.17Å
14T97.7Very high97.5Very high69 Ų6998.8 Ų98.842%0.42350%0.504SS..Hα-helixtrans-64.8-47.4178.9-52.90000110.9D10 V11 C12 T16 G17 Y18D10-T14 WeakPolarHBondContact O-CB 3.44Å; D10-T14 PolarHBondContact O-N 3.18Å; D10-T14 PolarHBondContact O-OG1 2.92Å; V11-T14 WeakPolarHBondContact O-CB 3.33Å; V11-T14 PolarHBondContact O-N 2.88Å; C12-T14 VanDerWaalsContact C-N 3.34Å; T14-T16 VanDerWaalsContact C-N 3.29Å; T14-T16 PolarHBondContact O-N 3.29Å; T14-G17 WeakPolarHBondContact O-CA 3.38Å; T14-G17 PolarHBondContact O-N 3.17Å; T14-G17 VanDerWaalsContact O-N 3.07Å; T14-Y18 HydrophobicContact CG2-CD2 4.18Å; T14-Y18 HydrophobicContact CG2-CE2 3.52Å; T14-Y18 PolarHBondContact O-N 3.28Å; T14-Y18 VanDerWaalsContact O-N 3.08Å
15E98Very high97.7Very high111 Ų11196.7 Ų96.752%0.51949%0.492SS..Hα-helixtrans-61.6-36.6176.5-67.3-58.1145.400112.1V11 C12 G17 Y18 L19V11-E15 HydrophobicContact CG1-CG 4.17Å; V11-E15 WeakPolarHBondContact O-CG 3.44Å; V11-E15 PolarHBondContact O-N 3.44Å; C12-E15 PolarHBondContact O-N 2.81Å; E15-G17 VanDerWaalsContact C-N 3.28Å; E15-G17 PolarHBondContact O-N 3.31Å; E15-Y18 PolarHBondContact O-N 2.98Å; E15-L19 WeakPolarHBondContact O-CB 3.38Å; E15-L19 PolarHBondContact O-N 3.08Å
16T98.2Very high97.8Very high87 Ų8796.1 Ų96.153%0.53449%0.49SS..Hα-helixtrans-61.8-38.5174.3-56.20000111.5C12 K13 T14 S20C12-T16 WeakPolarHBondContact O-CB 3.29Å; C12-T16 PolarHBondContact O-N 2.94Å; C12-T16 PolarHBondContact O-OG1 2.97Å; K13-T16 PolarHBondContact O-N 3.47Å; T14-T16 VanDerWaalsContact C-N 3.29Å; T14-T16 PolarHBondContact O-N 3.29Å; T16-S20 PolarHBondContact O-N 3.29Å; T16-S20 VanDerWaalsContact O-N 3.15Å
17G97.5Very high97.9Very high32 Ų3297.5 Ų97.533%0.3350%0.495SS..Hα-helixtrans-62.4-51.2173.400000112.3K13 T14 E15 L19 S20 E21K13-G17 PolarHBondContact O-N 3Å; K13-G17 VanDerWaalsContact O-N 3.17Å; T14-G17 WeakPolarHBondContact O-CA 3.38Å; T14-G17 PolarHBondContact O-N 3.17Å; T14-G17 VanDerWaalsContact O-N 3.07Å; E15-G17 VanDerWaalsContact C-N 3.28Å; E15-G17 PolarHBondContact O-N 3.31Å; G17-L19 VanDerWaalsContact C-N 3.32Å; G17-L19 PolarHBondContact O-N 3.11Å; G17-S20 WeakPolarHBondContact O-CB 3.07Å; G17-S20 PolarHBondContact O-N 3.07Å; G17-S20 VanDerWaalsContact O-N 3.14Å; G17-E21 PolarHBondContact O-N 3.04Å
18Y97.8Very high97.9Very high102 Ų10293.9 Ų93.940%0.448%0.481SS..Hα-helixtrans-60.8-39.6177.6-64.6-40.8000112.9T14 E15 S20 E21 Y22T14-Y18 HydrophobicContact CG2-CD2 4.18Å; T14-Y18 HydrophobicContact CG2-CE2 3.52Å; T14-Y18 PolarHBondContact O-N 3.28Å; T14-Y18 VanDerWaalsContact O-N 3.08Å; E15-Y18 PolarHBondContact O-N 2.98Å; Y18-S20 VanDerWaalsContact C-N 3.29Å; Y18-S20 PolarHBondContact O-N 3.1Å; Y18-E21 PolarHBondContact O-N 3.39Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.38Å; Y18-Y22 PolarHBondContact O-N 3.01Å
19L98.4Very high98Very high105 Ų10592.2 Ų92.255%0.5548%0.475SS..Hα-helixtrans-61.3-40.7176.4-173.365.1000111.5E15 G17 Y22 L23E15-L19 WeakPolarHBondContact O-CB 3.38Å; E15-L19 PolarHBondContact O-N 3.08Å; G17-L19 VanDerWaalsContact C-N 3.32Å; G17-L19 PolarHBondContact O-N 3.11Å; L19-Y22 PolarHBondContact O-N 3.26Å; L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.08Å; L19-L23 PolarHBondContact O-N 3.17Å
20S98.2Very high98Very high79 Ų7991.3 Ų91.355%0.55247%0.474SS*.Hα-helixtrans-62.7-42.9175.3-1740000111.8T16 G17 Y18 L23 N24T16-S20 PolarHBondContact O-N 3.29Å; T16-S20 VanDerWaalsContact O-N 3.15Å; G17-S20 WeakPolarHBondContact O-CB 3.07Å; G17-S20 PolarHBondContact O-N 3.07Å; G17-S20 VanDerWaalsContact O-N 3.14Å; Y18-S20 VanDerWaalsContact C-N 3.29Å; Y18-S20 PolarHBondContact O-N 3.1Å; S20-L23 PolarHBondContact O-N 3.16Å; S20-N24 WeakPolarHBondContact O-CB 3.37Å; S20-N24 PolarHBondContact O-N 3.36Å
21E98.2Very high98Very high123 Ų12394.7 Ų94.758%0.57548%0.481SS*.Hα-helixtrans-63.6-45.1176.5-69.7177.1-169.300111.6G17 Y18 L23 N24 E25G17-E21 PolarHBondContact O-N 3.04Å; Y18-E21 PolarHBondContact O-N 3.39Å; E21-L23 PolarHBondContact O-N 3.32Å; E21-N24 PolarHBondContact O-N 2.93Å; E21-E25 PolarHBondContact O-N 3.27Å
22Y98.6Very high98Very high153 Ų15396 Ų9660%0.648%0.483SS*.Hα-helixtrans-64.6-39178.1-62.3-31.4000112.9Y18 L19 N24 E25 F26Y18-Y22 WeakPolarHBondContact O-CD2 3.38Å; Y18-Y22 PolarHBondContact O-N 3.01Å; L19-Y22 PolarHBondContact O-N 3.26Å; Y22-N24 VanDerWaalsContact C-N 3.34Å; Y22-E25 PolarHBondContact O-N 2.94Å; Y22-F26 VanDerWaalsContact O-CB 3.29Å; Y22-F26 WeakPolarHBondContact O-CB 3.43Å; Y22-F26 PolarHBondContact O-N 3.09Å
23L98.5Very high98Very high96 Ų9699 Ų9950%0.50349%0.487SS..Hα-helixtrans-65.2-39.6174.4-74.9172.5000111.5L19 S20 E21 F26 N27L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.08Å; L19-L23 PolarHBondContact O-N 3.17Å; S20-L23 PolarHBondContact O-N 3.16Å; E21-L23 PolarHBondContact O-N 3.32Å; L23-F26 PolarHBondContact O-N 3.37Å; L23-N27 WeakPolarHBondContact O-CB 3.41Å; L23-N27 VanDerWaalsContact O-CG 3.29Å; L23-N27 PolarHBondContact O-N 3.35Å; L23-N27 PolarHBondContact O-ND2 3.06Å
24N98.5Very high97.9Very high96 Ų9698.4 Ų98.451%0.51349%0.489SS..Hα-helixtrans-63.7-46175.4-178.863.1000111.9S20 E21 Y22 N27 Q28S20-N24 WeakPolarHBondContact O-CB 3.37Å; S20-N24 PolarHBondContact O-N 3.36Å; E21-N24 PolarHBondContact O-N 2.93Å; Y22-N24 VanDerWaalsContact C-N 3.34Å; N24-N27 PolarHBondContact O-N 3.07Å; N24-Q28 PolarHBondContact O-N 3.48Å
25E98.3Very high97.9Very high90 Ų9097.8 Ų97.842%0.42149%0.491SS..Hα-helixtrans-61.2-45.4176.9-173.462.9-160.700111.3E21 Y22 N27 Q28 L29E21-E25 PolarHBondContact O-N 3.27Å; Y22-E25 PolarHBondContact O-N 2.94Å; E25-N27 VanDerWaalsContact C-N 3.29Å; E25-N27 PolarHBondContact O-N 3.24Å; E25-Q28 WeakPolarHBondContact O-CB 3.47Å; E25-Q28 PolarHBondContact O-N 2.93Å; E25-L29 HydrophobicContact CG-CD1 4.19Å; E25-L29 WeakPolarHBondContact O-CG 3.47Å; E25-L29 PolarHBondContact O-N 3.34Å
26F98.4Very high97.9Very high132 Ų13298.4 Ų98.458%0.57949%0.494SS*.Hα-helixtrans-57.1-42.7175.9178-97.2000112.3Y22 L23 T30Y22-F26 VanDerWaalsContact O-CB 3.29Å; Y22-F26 WeakPolarHBondContact O-CB 3.43Å; Y22-F26 PolarHBondContact O-N 3.09Å; L23-F26 PolarHBondContact O-N 3.37Å; F26-T30 WeakPolarHBondContact O-CB 3.4Å; F26-T30 PolarHBondContact O-N 2.97Å; F26-T30 PolarHBondContact O-OG1 3.33Å
27N98.5Very high97.9Very high87 Ų8798 Ų9847%0.46549%0.491SS..Hα-helixtrans-68.2-33.9175.9-73.6-39.7000112.5L23 N24 E25 R31L23-N27 WeakPolarHBondContact O-CB 3.41Å; L23-N27 VanDerWaalsContact O-CG 3.29Å; L23-N27 PolarHBondContact O-N 3.35Å; L23-N27 PolarHBondContact O-ND2 3.06Å; N24-N27 PolarHBondContact O-N 3.07Å; E25-N27 VanDerWaalsContact C-N 3.29Å; E25-N27 PolarHBondContact O-N 3.24Å; N27-R31 WeakPolarHBondContact O-CG 3.25Å; N27-R31 PolarHBondContact O-N 3.25Å; N27-R31 PolarHBondContact O-NE 3.06Å
28Q98.4Very high97.9Very high71 Ų71100.9 Ų100.933%0.33250%0.496SS..Hα-helixtrans-66.7-49.8174.6-175168.463.500111.4N24 E25 T30 R31 E32N24-Q28 PolarHBondContact O-N 3.48Å; E25-Q28 WeakPolarHBondContact O-CB 3.47Å; E25-Q28 PolarHBondContact O-N 2.93Å; Q28-T30 VanDerWaalsContact C-N 3.26Å; Q28-T30 PolarHBondContact O-N 3.49Å; Q28-R31 WeakPolarHBondContact O-CB 3.48Å; Q28-R31 PolarHBondContact O-N 3.46Å; Q28-E32 PolarHBondContact O-N 2.97Å
29L98.5Very high97.8Very high89 Ų89100 Ų10047%0.46650%0.501SS..Hα-helixtrans-60.7-36.1177.3-67.8172.7000112.3E25 E32 K33E25-L29 HydrophobicContact CG-CD1 4.19Å; E25-L29 WeakPolarHBondContact O-CG 3.47Å; E25-L29 PolarHBondContact O-N 3.34Å; L29-E32 PolarHBondContact O-N 2.94Å; L29-K33 WeakPolarHBondContact O-CB 3.47Å; L29-K33 PolarHBondContact O-N 2.93Å
30T97.4Very high97.8Very high54 Ų54100 Ų10033%0.33150%0.501SS..Hα-helixtrans-64.6-41175.5-61.90000111.4F26 Q28 K33 L34F26-T30 WeakPolarHBondContact O-CB 3.4Å; F26-T30 PolarHBondContact O-N 2.97Å; F26-T30 PolarHBondContact O-OG1 3.33Å; Q28-T30 VanDerWaalsContact C-N 3.26Å; Q28-T30 PolarHBondContact O-N 3.49Å; T30-K33 PolarHBondContact O-N 3.46Å; T30-L34 WeakPolarHBondContact O-CG 3.41Å; T30-L34 PolarHBondContact O-N 3.29Å; T30-L34 VanDerWaalsContact O-N 3.11Å
31R97.2Very high97.8Very high145 Ų145102.1 Ų102.155%0.54750%0.497SS..Hα-helixtrans-64.7-44.3174.8-74179.6-72.9128.6-9.8111.8N27 Q28 L34 A35N27-R31 WeakPolarHBondContact O-CG 3.25Å; N27-R31 PolarHBondContact O-N 3.25Å; N27-R31 PolarHBondContact O-NE 3.06Å; Q28-R31 WeakPolarHBondContact O-CB 3.48Å; Q28-R31 PolarHBondContact O-N 3.46Å; R31-L34 PolarHBondContact O-N 2.86Å; R31-A35 PolarHBondContact O-N 3.49Å
32E97.7Very high97.7Very high93 Ų93100 Ų10044%0.43549%0.487SS..Hα-helixtrans-62.3-43.2177.1-70.4179-176.700112Q28 L29 L34 A35 H36Q28-E32 PolarHBondContact O-N 2.97Å; L29-E32 PolarHBondContact O-N 2.94Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.64Å; E32-A35 WeakPolarHBondContact O-CB 3.36Å; E32-A35 PolarHBondContact O-N 3.24Å; E32-H36 PolarHBondContact O-N 2.84Å
33K96.9Very high97.7Very high142 Ų14297.2 Ų97.262%0.61748%0.481SS*.Hα-helixtrans-55.2-47.4173.5176.9-169.9169.4-174.50111.4L29 T30 H36 V37L29-K33 WeakPolarHBondContact O-CB 3.47Å; L29-K33 PolarHBondContact O-N 2.93Å; T30-K33 PolarHBondContact O-N 3.46Å; K33-H36 PolarHBondContact O-N 2.94Å; K33-V37 WeakPolarHBondContact O-CG2 3.46Å; K33-V37 PolarHBondContact O-N 3.44Å
34L95.8Very high97.6Very high110 Ų11096.7 Ų96.758%0.57648%0.479SS*.Hα-helixtrans-65.3-39.6179.2-70173.5000111.7T30 R31 E32 H36 V37 E38T30-L34 WeakPolarHBondContact O-CG 3.41Å; T30-L34 PolarHBondContact O-N 3.29Å; T30-L34 VanDerWaalsContact O-N 3.11Å; R31-L34 PolarHBondContact O-N 2.86Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.64Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 3.47Å; L34-V37 PolarHBondContact O-N 2.89Å; L34-E38 PolarHBondContact O-N 3.41Å; L34-E38 VanDerWaalsContact O-N 3.09Å
35A97.3Very high97.5Very high56 Ų5694.9 Ų94.946%0.46347%0.473SS..Hα-helixtrans-60.8-41174.500000112R31 E32 E38 V39R31-A35 PolarHBondContact O-N 3.49Å; E32-A35 WeakPolarHBondContact O-CB 3.36Å; E32-A35 PolarHBondContact O-N 3.24Å; A35-E38 PolarHBondContact O-N 3.43Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.12Å; A35-V39 VanDerWaalsContact O-N 3.1Å
36H97.9Very high97.5Very high125 Ų12593.7 Ų93.758%0.57947%0.47SS*.Hα-helixtrans-65.9-38.7175.1-70.5-29.7000113.3E32 K33 L34 E38 V39 L40E32-H36 PolarHBondContact O-N 2.84Å; K33-H36 PolarHBondContact O-N 2.94Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 3.47Å; H36-E38 VanDerWaalsContact C-N 3.25Å; H36-E38 PolarHBondContact O-N 3.39Å; H36-V39 PolarHBondContact O-N 2.94Å; H36-L40 WeakPolarHBondContact O-CG 3.39Å; H36-L40 PolarHBondContact O-N 3.09Å
37V97.9Very high97.4Very high79 Ų7991.6 Ų91.648%0.47946%0.463SS..Hα-helixtrans-59.9-40174.3170.40000110.7K33 L34 L40 R41K33-V37 WeakPolarHBondContact O-CG2 3.46Å; K33-V37 PolarHBondContact O-N 3.44Å; L34-V37 PolarHBondContact O-N 2.89Å; V37-L40 PolarHBondContact O-N 3.25Å; V37-R41 PolarHBondContact O-N 2.91Å
38E97.2Very high97.3Very high91 Ų9191.9 Ų91.943%0.42546%0.464SS..Hα-helixtrans-67.6-39.8177.9-17554.3-155.100112.5L34 A35 H36 L40 R41 Q42L34-E38 PolarHBondContact O-N 3.41Å; L34-E38 VanDerWaalsContact O-N 3.09Å; A35-E38 PolarHBondContact O-N 3.43Å; H36-E38 VanDerWaalsContact C-N 3.25Å; H36-E38 PolarHBondContact O-N 3.39Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 2.92Å; E38-R41 VanDerWaalsContact CD-NE 3.34Å; E38-R41 WeakPolarHBondContact O-CB 3.35Å; E38-R41 PolarHBondContact O-N 3.37Å; E38-R41 VanDerWaalsContact O-N 3.15Å; E38-R41 IonicContact OE1-CZ 3.15Å; E38-R41 IonicContact OE1-NE 3.53Å; E38-R41 PolarHBondContact OE1-NE 3.07Å; E38-R41 IonicContact OE1-NH2 2.66Å; E38-R41 PolarHBondContact OE1-NH2 3.33Å; E38-R41 IonicContact OE2-NE 3.66Å; E38-R41 PolarHBondContact OE2-NE 3.41Å; E38-Q42 PolarHBondContact O-N 2.96Å
39V96.7Very high97.2Very high84 Ų8494.4 Ų94.451%0.50948%0.476SS..Hα-helixtrans-59.6-43.4172.91730000111A35 H36 R41 Q42 I43A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.12Å; A35-V39 VanDerWaalsContact O-N 3.1Å; H36-V39 PolarHBondContact O-N 2.94Å; V39-R41 VanDerWaalsContact C-N 3.33Å; V39-R41 PolarHBondContact O-N 3.33Å; V39-Q42 PolarHBondContact O-N 3.04Å; V39-I43 HydrophobicContact CG1-CD1 4Å; V39-I43 WeakPolarHBondContact O-CG1 3.47Å; V39-I43 PolarHBondContact O-N 3.5Å
40L97.6Very high97.2Very high106 Ų10695.4 Ų95.456%0.55548%0.481SS*.Hα-helixtrans-63.7-38.1175.7-70.7170.9000112.2H36 V37 E38 Q42 I43 N44H36-L40 WeakPolarHBondContact O-CG 3.39Å; H36-L40 PolarHBondContact O-N 3.09Å; V37-L40 PolarHBondContact O-N 3.25Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 2.92Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-I43 PolarHBondContact O-N 3.05Å; L40-N44 PolarHBondContact O-N 2.66Å; L40-N44 PolarHBondContact O-ND2 3.11Å
41R97.7Very high97.1Very high123 Ų12396.9 Ų96.946%0.46449%0.485SS..Hα-helixtrans-61.6-42.4174.4-164.5-163.267.868.56.7111V37 E38 V39 N44 C45V37-R41 PolarHBondContact O-N 2.91Å; E38-R41 VanDerWaalsContact CD-NE 3.34Å; E38-R41 WeakPolarHBondContact O-CB 3.35Å; E38-R41 PolarHBondContact O-N 3.37Å; E38-R41 VanDerWaalsContact O-N 3.15Å; E38-R41 IonicContact OE1-CZ 3.15Å; E38-R41 IonicContact OE1-NE 3.53Å; E38-R41 PolarHBondContact OE1-NE 3.07Å; E38-R41 IonicContact OE1-NH2 2.66Å; E38-R41 PolarHBondContact OE1-NH2 3.33Å; E38-R41 IonicContact OE2-NE 3.66Å; E38-R41 PolarHBondContact OE2-NE 3.41Å; V39-R41 VanDerWaalsContact C-N 3.33Å; V39-R41 PolarHBondContact O-N 3.33Å; R41-N44 PolarHBondContact O-N 3.39Å; R41-C45 PolarHBondContact O-N 2.78Å
42Q97.2Very high97Very high78 Ų7893.6 Ų93.636%0.36448%0.483SS..Hα-helixtrans-65.3-46.3177.5-169.159.247.400111.8E38 V39 L40 N44 C45 D46E38-Q42 PolarHBondContact O-N 2.96Å; V39-Q42 PolarHBondContact O-N 3.04Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; Q42-N44 VanDerWaalsContact C-N 3.27Å; Q42-N44 PolarHBondContact O-N 2.89Å; Q42-C45 WeakPolarHBondContact O-CA 3.47Å; Q42-C45 WeakPolarHBondContact O-CB 3.49Å; Q42-C45 PolarHBondContact O-N 2.95Å; Q42-D46 PolarHBondContact NE2-OD1 3.25Å; Q42-D46 VanDerWaalsContact O-CG 3.26Å; Q42-D46 PolarHBondContact O-N 3.18Å
43I97.6Very high97Very high94 Ų9492.5 Ų92.548%0.48248%0.484SS..Hα-helixtrans-56.7-43176.2-68.2166.5000111V39 L40 C45 D46 M47V39-I43 HydrophobicContact CG1-CD1 4Å; V39-I43 WeakPolarHBondContact O-CG1 3.47Å; V39-I43 PolarHBondContact O-N 3.5Å; L40-I43 PolarHBondContact O-N 3.05Å; I43-C45 VanDerWaalsContact C-N 3.34Å; I43-C45 PolarHBondContact O-N 3.07Å; I43-D46 PolarHBondContact O-N 3.32Å; I43-M47 WeakPolarHBondContact O-CB 3.4Å; I43-M47 PolarHBondContact O-N 3.32Å
44N96.1Very high96.9Very high86 Ų8689.9 Ų89.946%0.4648%0.475SS..Hα-helixtrans-65.5-36.6176.6-76.1-32000112.4L40 R41 Q42 N48L40-N44 PolarHBondContact O-N 2.66Å; L40-N44 PolarHBondContact O-ND2 3.11Å; R41-N44 PolarHBondContact O-N 3.39Å; Q42-N44 VanDerWaalsContact C-N 3.27Å; Q42-N44 PolarHBondContact O-N 2.89Å; N44-N48 VanDerWaalsContact O-CG 3.26Å; N44-N48 PolarHBondContact O-N 3.31Å; N44-N48 VanDerWaalsContact O-N 3.13Å; N44-N48 PolarHBondContact O-ND2 2.78Å
45C97.3Very high96.9Very high57 Ų5791 Ų9139%0.38548%0.476SS..Hα-helixtrans-64.1-48.3174.7-1700000111.2R41 Q42 I43 M47 N48 Q49R41-C45 PolarHBondContact O-N 2.78Å; Q42-C45 WeakPolarHBondContact O-CA 3.47Å; Q42-C45 WeakPolarHBondContact O-CB 3.49Å; Q42-C45 PolarHBondContact O-N 2.95Å; I43-C45 VanDerWaalsContact C-N 3.34Å; I43-C45 PolarHBondContact O-N 3.07Å; C45-M47 PolarHBondContact O-N 2.89Å; C45-N48 PolarHBondContact O-N 3.27Å; C45-Q49 PolarHBondContact O-N 3.05Å
46D97.7Very high96.9Very high65 Ų6592.8 Ų92.835%0.34847%0.474SS..Hα-helixtrans-63.1-42179.8-61.6-13.4000111.1Q42 I43 N48 Q49 L50Q42-D46 PolarHBondContact NE2-OD1 3.25Å; Q42-D46 VanDerWaalsContact O-CG 3.26Å; Q42-D46 PolarHBondContact O-N 3.18Å; I43-D46 PolarHBondContact O-N 3.32Å; D46-N48 PolarHBondContact O-N 3.49Å; D46-Q49 PolarHBondContact O-N 3.44Å; D46-L50 WeakPolarHBondContact O-CB 3.39Å; D46-L50 WeakPolarHBondContact O-CG 3.45Å; D46-L50 PolarHBondContact O-N 3.31Å
47M96.3Very high96.7Very high89 Ų8990.2 Ų90.244%0.43847%0.47SS..Hα-helixtrans-58.4-48.6175.2-176.8175.666.700111.3I43 C45 Q49 L50 E51I43-M47 WeakPolarHBondContact O-CB 3.4Å; I43-M47 PolarHBondContact O-N 3.32Å; C45-M47 PolarHBondContact O-N 2.89Å; M47-Q49 VanDerWaalsContact C-N 3.31Å; M47-Q49 PolarHBondContact O-N 3.05Å; M47-L50 PolarHBondContact O-N 2.86Å; M47-E51 WeakPolarHBondContact O-CG 3.25Å; M47-E51 PolarHBondContact O-N 3.25Å
48N95.9Very high96.4Very high93 Ų9391.9 Ų91.950%0.49747%0.468SS..Hα-helixtrans-62.7-38.1177.6-71.6-35.1000112.2N44 C45 D46 S52N44-N48 VanDerWaalsContact O-CG 3.26Å; N44-N48 PolarHBondContact O-N 3.31Å; N44-N48 VanDerWaalsContact O-N 3.13Å; N44-N48 PolarHBondContact O-ND2 2.78Å; C45-N48 PolarHBondContact O-N 3.27Å; D46-N48 PolarHBondContact O-N 3.49Å; N48-S52 WeakPolarHBondContact O-CB 3.45Å; N48-S52 PolarHBondContact O-N 2.91Å
49Q97.7Very high96.3Very high124 Ų12490.8 Ų90.858%0.57947%0.465SS*.Hα-helixtrans-65.1-43.8175.7-175.2178.44.800111.6C45 D46 M47 S52 T53C45-Q49 PolarHBondContact O-N 3.05Å; D46-Q49 PolarHBondContact O-N 3.44Å; M47-Q49 VanDerWaalsContact C-N 3.31Å; M47-Q49 PolarHBondContact O-N 3.05Å; Q49-S52 PolarHBondContact O-N 2.89Å; Q49-T53 WeakPolarHBondContact O-CB 3.37Å; Q49-T53 PolarHBondContact O-N 3.05Å; Q49-T53 PolarHBondContact O-OG1 2.85Å
50L97.2Very high96.2Very high109 Ų10990.3 Ų90.357%0.57146%0.459SS*.Hα-helixtrans-65.9-41.7176.9-72176.1000111.6D46 M47 S52 T53 I54D46-L50 WeakPolarHBondContact O-CB 3.39Å; D46-L50 WeakPolarHBondContact O-CG 3.45Å; D46-L50 PolarHBondContact O-N 3.31Å; M47-L50 PolarHBondContact O-N 2.86Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 3.24Å; L50-T53 PolarHBondContact O-N 3.44Å; L50-I54 WeakPolarHBondContact O-CB 3.43Å; L50-I54 VanDerWaalsContact O-CG1 3.25Å; L50-I54 WeakPolarHBondContact O-CG1 3.48Å; L50-I54 PolarHBondContact O-N 3.41Å
51E96.1Very high95.9Very high86 Ų8688.6 Ų88.640%0.40245%0.449SS..Hα-helixtrans-59.4-44.3174.1-77.1-172.2-177.100112.2M47 I54 K55M47-E51 WeakPolarHBondContact O-CG 3.25Å; M47-E51 PolarHBondContact O-N 3.25Å; E51-I54 PolarHBondContact O-N 2.84Å; E51-K55 WeakPolarHBondContact O-CB 3.45Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.23Å; E51-K55 PolarHBondContact O-N 3.24Å
52S95.7Very high95.5Very high75 Ų7588.1 Ų88.152%0.52446%0.455SS..Hα-helixtrans-62.1-45.4175.8-175.20000111.3N48 Q49 L50 I54 K55 Q56N48-S52 WeakPolarHBondContact O-CB 3.45Å; N48-S52 PolarHBondContact O-N 2.91Å; Q49-S52 PolarHBondContact O-N 2.89Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-S52 PolarHBondContact O-N 3.24Å; S52-I54 PolarHBondContact O-N 3.45Å; S52-K55 PolarHBondContact O-N 3.47Å; S52-Q56 WeakPolarHBondContact O-CB 3.25Å; S52-Q56 PolarHBondContact O-N 3.5Å
53T97.4Very high95.4Very high71 Ų7189.8 Ų89.844%0.43646%0.461SS..Hα-helixtrans-61.2-44.5178.3-56.40000111.3Q49 L50 K55 Q56 S57Q49-T53 WeakPolarHBondContact O-CB 3.37Å; Q49-T53 PolarHBondContact O-N 3.05Å; Q49-T53 PolarHBondContact O-OG1 2.85Å; L50-T53 PolarHBondContact O-N 3.44Å; T53-K55 PolarHBondContact O-N 3.01Å; T53-Q56 PolarHBondContact O-N 3.01Å; T53-S57 WeakPolarHBondContact O-CB 3.29Å; T53-S57 PolarHBondContact O-N 3.47Å; T53-S57 PolarHBondContact O-OG 2.96Å; T53-S57 VanDerWaalsContact O-OG 3.07Å
54I94.5Very high95.1Very high86 Ų8688.3 Ų88.344%0.44146%0.463SS..Hα-helixtrans-62.6-44.5177.2-69.6164.8000110.8L50 E51 S52 Q56 S57 R58L50-I54 WeakPolarHBondContact O-CB 3.43Å; L50-I54 VanDerWaalsContact O-CG1 3.25Å; L50-I54 WeakPolarHBondContact O-CG1 3.48Å; L50-I54 PolarHBondContact O-N 3.41Å; E51-I54 PolarHBondContact O-N 2.84Å; S52-I54 PolarHBondContact O-N 3.45Å; I54-Q56 VanDerWaalsContact C-N 3.35Å; I54-Q56 PolarHBondContact O-N 3.25Å; I54-S57 PolarHBondContact O-N 3.41Å; I54-R58 WeakPolarHBondContact O-CG 3.36Å; I54-R58 PolarHBondContact O-N 2.79Å
55K95.3Very high94.8Very high135 Ų13584.8 Ų84.859%0.58745%0.445SS*.Hα-helixtrans-60.6-44.5176.6-73.9169.1-173.9165.40111.2E51 S52 T53 R58 N59E51-K55 WeakPolarHBondContact O-CB 3.45Å; E51-K55 VanDerWaalsContact O-CG 3.29Å; E51-K55 WeakPolarHBondContact O-CG 3.23Å; E51-K55 PolarHBondContact O-N 3.24Å; S52-K55 PolarHBondContact O-N 3.47Å; T53-K55 PolarHBondContact O-N 3.01Å; K55-R58 PolarHBondContact O-N 3.48Å; K55-N59 PolarHBondContact O-N 2.87Å
56Q97.1Very high94.6Very high92 Ų9286.3 Ų86.343%0.4345%0.447SS..Hα-helixtrans-63.4-48.8178.3-177.156.636.300111.6S52 T53 I54 R58 N59 D60S52-Q56 WeakPolarHBondContact O-CB 3.25Å; S52-Q56 PolarHBondContact O-N 3.5Å; T53-Q56 PolarHBondContact O-N 3.01Å; I54-Q56 VanDerWaalsContact C-N 3.35Å; I54-Q56 PolarHBondContact O-N 3.25Å; Q56-R58 VanDerWaalsContact C-N 3.3Å; Q56-R58 PolarHBondContact O-N 3.43Å; Q56-N59 WeakPolarHBondContact O-CB 3.46Å; Q56-N59 PolarHBondContact O-N 3.38Å; Q56-D60 PolarHBondContact NE2-OD1 3.44Å; Q56-D60 PolarHBondContact NE2-OD2 3.38Å; Q56-D60 PolarHBondContact O-N 3.44Å
57S95.5Very high94.3Very high71 Ų7190.2 Ų90.250%0.49746%0.461SS..Hα-helixtrans-59.6-39.3177.9-63.90000112.6T53 I54 D60 Q61T53-S57 WeakPolarHBondContact O-CB 3.29Å; T53-S57 PolarHBondContact O-N 3.47Å; T53-S57 PolarHBondContact O-OG 2.96Å; T53-S57 VanDerWaalsContact O-OG 3.07Å; I54-S57 PolarHBondContact O-N 3.41Å; S57-D60 PolarHBondContact O-N 2.69Å; S57-Q61 WeakPolarHBondContact O-CB 3.5Å; S57-Q61 PolarHBondContact O-N 3Å
58R90.8Very high94.1Very high115 Ų11587.7 Ų87.743%0.43445%0.454SS..Hα-helixtrans-64.4-41174.2-75.9179.1174.9169.10.2112.1I54 K55 Q56 Q61 L62I54-R58 WeakPolarHBondContact O-CG 3.36Å; I54-R58 PolarHBondContact O-N 2.79Å; K55-R58 PolarHBondContact O-N 3.48Å; Q56-R58 VanDerWaalsContact C-N 3.3Å; Q56-R58 PolarHBondContact O-N 3.43Å; R58-Q61 PolarHBondContact O-N 2.87Å; R58-L62 WeakPolarHBondContact O-CG 3.47Å; R58-L62 PolarHBondContact O-N 3.32Å
59N94.4Very high93.7Very high68 Ų6887.8 Ų87.836%0.36445%0.447SS..Hα-helixtrans-64.3-44.6176.2-172.920.4000111.5K55 Q56 Q61 L62 K63K55-N59 PolarHBondContact O-N 2.87Å; Q56-N59 WeakPolarHBondContact O-CB 3.46Å; Q56-N59 PolarHBondContact O-N 3.38Å; N59-Q61 VanDerWaalsContact C-N 3.31Å; N59-Q61 PolarHBondContact O-N 3.25Å; N59-L62 PolarHBondContact O-N 3.4Å; N59-K63 PolarHBondContact ND2-NZ 3.01Å; N59-K63 WeakPolarHBondContact O-CG 3.41Å; N59-K63 PolarHBondContact O-N 3.25Å; N59-K63 WeakPolarHBondContact OD1-CE 3.32Å
60D95.9Very high93.4Very high73 Ų7384.9 Ų84.939%0.3944%0.44SS..Hα-helixtrans-66.1-36.2179.3-67.3-24000111.8Q56 S57 K63 A64Q56-D60 PolarHBondContact NE2-OD1 3.44Å; Q56-D60 PolarHBondContact NE2-OD2 3.38Å; Q56-D60 PolarHBondContact O-N 3.44Å; S57-D60 PolarHBondContact O-N 2.69Å; D60-K63 PolarHBondContact O-N 3.13Å; D60-K63 IonicContact OD1-NZ 3.61Å; D60-A64 WeakPolarHBondContact O-CB 3.46Å; D60-A64 PolarHBondContact O-N 3.46Å
61Q90.6Very high93.1Very high71 Ų7183.9 Ų83.933%0.33244%0.435SS..Hα-helixtrans-60.5-45.9170.6-175-178.447.400112.1S57 R58 N59 K63 A64 A65S57-Q61 WeakPolarHBondContact O-CB 3.5Å; S57-Q61 PolarHBondContact O-N 3Å; R58-Q61 PolarHBondContact O-N 2.87Å; N59-Q61 VanDerWaalsContact C-N 3.31Å; N59-Q61 PolarHBondContact O-N 3.25Å; Q61-K63 PolarHBondContact O-N 2.96Å; Q61-A64 PolarHBondContact O-N 3.3Å; Q61-A65 PolarHBondContact O-N 2.9Å
62L89Confident92.7Very high113 Ų11380.9 Ų80.959%0.59242%0.421SS*.Hα-helixtrans-62-42.7176.9-73172000111.9R58 N59 A64 A65 E66R58-L62 WeakPolarHBondContact O-CG 3.47Å; R58-L62 PolarHBondContact O-N 3.32Å; N59-L62 PolarHBondContact O-N 3.4Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 2.88Å; L62-A65 PolarHBondContact O-N 3.15Å; L62-E66 PolarHBondContact O-N 3.42Å
63K95.3Very high92.3Very high113 Ų11379.6 Ų79.649%0.49142%0.419SS..Hα-helixtrans-62.6-41.1175.7-70.3172.9-173165.90112.1N59 D60 Q61 E66 K67N59-K63 PolarHBondContact ND2-NZ 3.01Å; N59-K63 WeakPolarHBondContact O-CG 3.41Å; N59-K63 PolarHBondContact O-N 3.25Å; N59-K63 WeakPolarHBondContact OD1-CE 3.32Å; D60-K63 PolarHBondContact O-N 3.13Å; D60-K63 IonicContact OD1-NZ 3.61Å; Q61-K63 PolarHBondContact O-N 2.96Å; K63-E66 PolarHBondContact O-N 3.44Å; K63-K67 WeakPolarHBondContact O-CB 3.47Å; K63-K67 PolarHBondContact O-N 3.02Å
64A92.2Very high92Very high63 Ų6382.5 Ų82.552%0.52143%0.428SS..Hα-helixtrans-65.1-42.6177.600000111.7D60 Q61 L62 K67 A68D60-A64 WeakPolarHBondContact O-CB 3.46Å; D60-A64 PolarHBondContact O-N 3.46Å; Q61-A64 PolarHBondContact O-N 3.3Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 2.88Å; A64-K67 PolarHBondContact O-N 3.47Å; A64-A68 PolarHBondContact O-N 3.05Å
65A89.3Confident91.6Very high11 Ų1182.3 Ų82.39%0.09143%0.427CS..Hα-helixtrans-63.5-43.2175.700000112Q61 L62 A68 R69Q61-A65 PolarHBondContact O-N 2.9Å; L62-A65 PolarHBondContact O-N 3.15Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 3.05Å; A65-R69 PolarHBondContact O-N 3.4Å
66E91.7Very high91.2Very high89 Ų8978.4 Ų78.442%0.41641%0.412SS..Hα-helixtrans-61.6-45.3174.8-175.758.8-154.500111.7L62 K63 A68 R69 C70L62-E66 PolarHBondContact O-N 3.42Å; K63-E66 PolarHBondContact O-N 3.44Å; E66-A68 VanDerWaalsContact C-N 3.27Å; E66-A68 PolarHBondContact O-N 2.9Å; E66-R69 WeakPolarHBondContact O-CA 3.38Å; E66-R69 WeakPolarHBondContact O-CB 3.34Å; E66-R69 PolarHBondContact O-N 3.01Å; E66-R69 IonicContact OE2-CZ 2.64Å; E66-R69 IonicContact OE2-NE 2.86Å; E66-R69 PolarHBondContact OE2-NE 3.01Å; E66-R69 IonicContact OE2-NH2 2.9Å; E66-R69 PolarHBondContact OE2-NH2 2.92Å; E66-C70 PolarHBondContact O-N 2.83Å; E66-C70 PolarHBondContact O-SG 3.15Å; E66-C70 VanDerWaalsContact O-SG 3.36Å
67K93.3Very high90.9Very high147 Ų14777.5 Ų77.564%0.63942%0.415SS*.Hα-helixtrans-59.6-40176.4-172.6175.1-177.9178.50111.9K63 A64 C70 L71K63-K67 WeakPolarHBondContact O-CB 3.47Å; K63-K67 PolarHBondContact O-N 3.02Å; A64-K67 PolarHBondContact O-N 3.47Å; K67-C70 PolarHBondContact O-N 3.49Å; K67-L71 HydrophobicContact CG-CD1 4.39Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.41Å
68A90.7Very high90.6Very high36 Ų3678.6 Ų78.630%0.29841%0.414SS..Hα-helixtrans-63.9-39.8174.800000112A64 A65 E66 F72 L107A64-A68 PolarHBondContact O-N 3.05Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 3.05Å; E66-A68 VanDerWaalsContact C-N 3.27Å; E66-A68 PolarHBondContact O-N 2.9Å; A68-F72 WeakPolarHBondContact O-CB 3.46Å; A68-F72 PolarHBondContact O-N 3.1Å; A68-L107 HydrophobicContact CB-CD1 3.6Å; A68-L107 HydrophobicContact CB-CD2 4.34Å
69R87.8Confident90.6Very high95 Ų9575.5 Ų75.536%0.35840%0.403SS..Hα-helixtrans-60.2-47.6172.6-74.9-167.1-77.7-104.4-7.3112.2A65 E66 F72 G73 L107 E111A65-R69 PolarHBondContact O-N 3.4Å; E66-R69 WeakPolarHBondContact O-CA 3.38Å; E66-R69 WeakPolarHBondContact O-CB 3.34Å; E66-R69 PolarHBondContact O-N 3.01Å; E66-R69 IonicContact OE2-CZ 2.64Å; E66-R69 IonicContact OE2-NE 2.86Å; E66-R69 PolarHBondContact OE2-NE 3.01Å; E66-R69 IonicContact OE2-NH2 2.9Å; E66-R69 PolarHBondContact OE2-NH2 2.92Å; R69-F72 PolarHBondContact O-N 3.19Å; R69-G73 PolarHBondContact O-N 3.23Å; R69-L107 HydrophobicContact CG-CD2 3.58Å; R69-E111 IonicContact CZ-OE1 3.31Å; R69-E111 IonicContact NH1-OE1 2.85Å; R69-E111 PolarHBondContact NH1-OE1 2.74Å; R69-E111 IonicContact NH1-OE2 3.61Å
70C92.4Very high90.3Very high63 Ų6376.1 Ų76.143%0.42641%0.406SS..Hα-helixtrans-59.6-49.5179.1-62.60000111.6E66 K67 F72 G73 E74E66-C70 PolarHBondContact O-N 2.83Å; E66-C70 PolarHBondContact O-SG 3.15Å; E66-C70 VanDerWaalsContact O-SG 3.36Å; K67-C70 PolarHBondContact O-N 3.49Å; C70-F72 VanDerWaalsContact C-N 3.27Å; C70-F72 PolarHBondContact O-N 2.96Å; C70-G73 WeakPolarHBondContact O-CA 3.4Å; C70-G73 PolarHBondContact O-N 3.47Å; C70-G73 VanDerWaalsContact O-N 3.07Å; C70-E74 PolarHBondContact O-N 2.89Å; C70-E74 VanDerWaalsContact O-N 3.08Å
71L91Very high90.2Very high88 Ų8878.1 Ų78.146%0.46141%0.413SS..Hα-helixtrans-59.3-39.5178.1-71.9172.3000111.8K67 E74 L75K67-L71 HydrophobicContact CG-CD1 4.39Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.41Å; L71-E74 PolarHBondContact O-N 3.29Å; L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.4Å; L71-L75 PolarHBondContact O-N 3.09Å
72F86.7Confident90.3Very high24 Ų2478.1 Ų78.111%0.10542%0.415CS..Hα-helixtrans-67.1-37.9176.6-164.8-91.5000112.4A68 R69 C70 E74 L75 L76 A103 L104A68-F72 WeakPolarHBondContact O-CB 3.46Å; A68-F72 PolarHBondContact O-N 3.1Å; R69-F72 PolarHBondContact O-N 3.19Å; C70-F72 VanDerWaalsContact C-N 3.27Å; C70-F72 PolarHBondContact O-N 2.96Å; F72-E74 PolarHBondContact O-N 3.29Å; F72-L75 PolarHBondContact O-N 3.25Å; F72-L76 HydrophobicContact CD1-CD1 3.98Å; F72-L76 HydrophobicContact CD1-CG 4.04Å; F72-L76 HydrophobicContact CE1-CD1 3.37Å; F72-L76 HydrophobicContact CE1-CD2 3.97Å; F72-L76 HydrophobicContact CE1-CG 3.45Å; F72-L76 VanDerWaalsContact CE1-CG 3.45Å; F72-L76 HydrophobicContact CZ-CD1 4.17Å; F72-L76 HydrophobicContact CZ-CD2 3.92Å; F72-L76 HydrophobicContact CZ-CG 3.88Å; F72-L76 PolarHBondContact O-N 2.94Å; F72-A103 HydrophobicContact CD2-CB 4.36Å; F72-A103 HydrophobicContact CE2-CB 3.81Å; F72-L104 HydrophobicContact CD1-CD1 3.62Å; F72-L104 HydrophobicContact CD1-CD2 4.36Å; F72-L104 HydrophobicContact CD1-CG 3.49Å; F72-L104 VanDerWaalsContact CD1-CG 3.49Å; F72-L104 HydrophobicContact CE1-CB 3.98Å; F72-L104 HydrophobicContact CE1-CD1 3.17Å; F72-L104 HydrophobicContact CE1-CG 3.29Å; F72-L104 HydrophobicContact CG-CG 4.19Å; F72-L104 HydrophobicContact CZ-CB 4.05Å; F72-L104 HydrophobicContact CZ-CD1 4.01Å; F72-L104 HydrophobicContact CZ-CG 3.86Å
73G87.3Confident90.5Very high48 Ų4873.3 Ų73.350%0.49539%0.39SS..Hα-helixtrans-61.3-28.917300000113.6R69 C70 P77R69-G73 PolarHBondContact O-N 3.23Å; C70-G73 WeakPolarHBondContact O-CA 3.4Å; C70-G73 PolarHBondContact O-N 3.47Å; C70-G73 VanDerWaalsContact O-N 3.07Å; G73-P77 WeakPolarHBondContact O-CD 3.41Å; G73-P77 WeakPolarHBondContact O-CG 3.39Å
74E90.7Very high90.5Very high132 Ų13274.1 Ų74.162%0.61740%0.399SS*.Hα-helixtrans-83.1-37.2174.1-67.3172-165.400112.7C70 L71 F72 P77C70-E74 PolarHBondContact O-N 2.89Å; C70-E74 VanDerWaalsContact O-N 3.08Å; L71-E74 PolarHBondContact O-N 3.29Å; F72-E74 PolarHBondContact O-N 3.29Å; E74-P77 WeakPolarHBondContact O-CD 3.4Å; E74-P77 WeakPolarHBondContact O-CG 3.25Å
75L87.7Confident90.6Very high82 Ų8276 Ų7643%0.42940%0.399SS..Hα-helixtrans-71.2-36.4-176.3-76.6172.2000113.8L71 F72 R79 V99L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.4Å; L71-L75 PolarHBondContact O-N 3.09Å; F72-L75 PolarHBondContact O-N 3.25Å; L75-R79 WeakPolarHBondContact O-CB 3.35Å; L75-R79 PolarHBondContact O-N 3.3Å; L75-V99 HydrophobicContact CB-CG1 4.09Å
76L86.6Confident90.9Very high52 Ų5279 Ų7927%0.27241%0.408SS..Hα-helixtrans-59.6-56.5179.1-84.4-176.4000114F72 L78 R79 D80F72-L76 HydrophobicContact CD1-CD1 3.98Å; F72-L76 HydrophobicContact CD1-CG 4.04Å; F72-L76 HydrophobicContact CE1-CD1 3.37Å; F72-L76 HydrophobicContact CE1-CD2 3.97Å; F72-L76 HydrophobicContact CE1-CG 3.45Å; F72-L76 VanDerWaalsContact CE1-CG 3.45Å; F72-L76 HydrophobicContact CZ-CD1 4.17Å; F72-L76 HydrophobicContact CZ-CD2 3.92Å; F72-L76 HydrophobicContact CZ-CG 3.88Å; F72-L76 PolarHBondContact O-N 2.94Å; L76-L78 PolarHBondContact O-N 3.3Å; L76-R79 PolarHBondContact O-N 2.71Å; L76-D80 PolarHBondContact O-N 2.85Å
77P89.4Confident91Very high74 Ų7477.2 Ų77.248%0.48141%0.408SS..Hα-helixtrans-62.2-35.3-179.123.9-33.7000111.8G73 E74 D80 E81G73-P77 WeakPolarHBondContact O-CD 3.41Å; G73-P77 WeakPolarHBondContact O-CG 3.39Å; E74-P77 WeakPolarHBondContact O-CD 3.4Å; E74-P77 WeakPolarHBondContact O-CG 3.25Å; P77-D80 PolarHBondContact O-N 2.82Å; P77-E81 WeakPolarHBondContact O-CB 3.47Å; P77-E81 PolarHBondContact O-N 3.17Å
78L90.6Very high91.1Very high94 Ų9474 Ų7449%0.49241%0.409SS..Hα-helixtrans-65.2-42.1176.9-164.272.6000111.7L76 D80 E81 I82L76-L78 PolarHBondContact O-N 3.3Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.02Å; L78-E81 PolarHBondContact O-N 3.41Å; L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.49Å; L78-I82 PolarHBondContact O-N 3.05Å
79R90.1Very high91.4Very high49 Ų4978.2 Ų78.219%0.18542%0.424CS..Hα-helixtrans-62.7-41174.1170.1-88.6-144.1-160.7-3.3111.5L75 L76 I82 N83 E96 V99L75-R79 WeakPolarHBondContact O-CB 3.35Å; L75-R79 PolarHBondContact O-N 3.3Å; L76-R79 PolarHBondContact O-N 2.71Å; R79-I82 PolarHBondContact O-N 3.25Å; R79-N83 WeakPolarHBondContact O-CB 3.47Å; R79-N83 PolarHBondContact O-N 3.44Å; R79-E96 IonicContact NH2-OE1 3.91Å; R79-V99 HydrophobicContact CB-CB 4.23Å; R79-V99 HydrophobicContact CB-CG1 4.33Å; R79-V99 HydrophobicContact CG-CB 4.13Å; R79-V99 PolarHBondContact NE-O 2.99Å; R79-V99 VanDerWaalsContact NE-O 3.16Å
80D89Confident91.6Very high81 Ų8181.2 Ų81.243%0.43345%0.447SS..Hα-helixtrans-68.2-36.9178.4-69-21.6000112L76 P77 L78 N83 L84L76-D80 PolarHBondContact O-N 2.85Å; P77-D80 PolarHBondContact O-N 2.82Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 3.02Å; D80-N83 PolarHBondContact O-N 2.88Å; D80-L84 PolarHBondContact O-N 3.28Å
81E93.9Very high91.7Very high116 Ų11682.9 Ų82.954%0.54245%0.449SS..Hα-helixtrans-63.4-46173-175.5175.6-164.500112.1P77 L78 N83 L84 L85P77-E81 WeakPolarHBondContact O-CB 3.47Å; P77-E81 PolarHBondContact O-N 3.17Å; L78-E81 PolarHBondContact O-N 3.41Å; E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 3.49Å; E81-L84 WeakPolarHBondContact O-CB 3.45Å; E81-L84 PolarHBondContact O-N 2.96Å; E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 3.4Å
82I92.3Very high91.6Very high71 Ų7186.7 Ų86.736%0.36446%0.464SS..Hα-helixtrans-61.7-40.8176-64164.1000110.5L78 R79 L84 L85 R86 L94L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.49Å; L78-I82 PolarHBondContact O-N 3.05Å; R79-I82 PolarHBondContact O-N 3.25Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 3.06Å; I82-L85 PolarHBondContact O-N 2.93Å; I82-R86 HydrophobicContact CG2-CG 4.24Å; I82-R86 WeakPolarHBondContact O-CB 3.3Å; I82-R86 VanDerWaalsContact O-CG 3.29Å; I82-R86 WeakPolarHBondContact O-CG 3.47Å; I82-R86 PolarHBondContact O-N 3.32Å; I82-L94 HydrophobicContact CB-CD1 3.98Å; I82-L94 HydrophobicContact CG2-CD1 3.44Å; I82-L94 VanDerWaalsContact CG2-CD1 3.44Å
83N92.8Very high91.8Very high12 Ų1290 Ų906%0.06448%0.483CS..Hα-helixtrans-63-39.2176.4-87.2-18.4000112.4R79 D80 E81 R86 A87 L93 L94R79-N83 WeakPolarHBondContact O-CB 3.47Å; R79-N83 PolarHBondContact O-N 3.44Å; D80-N83 PolarHBondContact O-N 2.88Å; E81-N83 VanDerWaalsContact C-N 3.28Å; E81-N83 PolarHBondContact O-N 3.49Å; N83-R86 PolarHBondContact O-N 2.75Å; N83-A87 WeakPolarHBondContact O-CB 3.42Å; N83-A87 PolarHBondContact O-N 2.72Å; N83-L93 HydrophobicContact CB-CD2 3.87Å; N83-L93 WeakPolarHBondContact O-CD2 3Å; N83-L94 WeakPolarHBondContact OD1-CB 3.31Å; N83-L94 PolarHBondContact OD1-N 3.3Å
84L95Very high91.7Very high130 Ų13089.4 Ų89.468%0.68147%0.468SS*.Hα-helixtrans-62.1-44.1173.9-172.865.7000111.5D80 E81 I82 A87 A88D80-L84 PolarHBondContact O-N 3.28Å; E81-L84 WeakPolarHBondContact O-CB 3.45Å; E81-L84 PolarHBondContact O-N 2.96Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 3.06Å; L84-A87 PolarHBondContact O-N 3.04Å; L84-A88 PolarHBondContact O-N 3.47Å
85L95.7Very high91.3Very high103 Ų10386.5 Ų86.554%0.53946%0.461SS..Hα-helixtrans-64.9-42.7177-69.8171.5000112.5E81 I82 A88 M89E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 3.4Å; I82-L85 PolarHBondContact O-N 2.93Å; L85-A88 PolarHBondContact O-N 3.38Å; L85-M89 PolarHBondContact O-N 3.11Å
86R94.5Very high90.9Very high74 Ų7488.5 Ų88.528%0.27947%0.468SS..Hα-helixtrans-62-45.4175.8-72.7174.478.9104.52.3111I82 N83 A88 M89 N90 Q91 E92I82-R86 HydrophobicContact CG2-CG 4.24Å; I82-R86 WeakPolarHBondContact O-CB 3.3Å; I82-R86 VanDerWaalsContact O-CG 3.29Å; I82-R86 WeakPolarHBondContact O-CG 3.47Å; I82-R86 PolarHBondContact O-N 3.32Å; N83-R86 PolarHBondContact O-N 2.75Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.89Å; R86-M89 CarbonylContact O-C 3.59Å; R86-M89 PolarHBondContact O-N 3.44Å; R86-M89 VanDerWaalsContact O-N 3.1Å; R86-N90 PolarHBondContact O-N 3.06Å; R86-Q91 HydrophobicContact CB-CB 4.06Å; R86-Q91 WeakPolarHBondContact O-CB 3.42Å; R86-Q91 PolarHBondContact O-N 3.33Å; R86-E92 PolarHBondContact NE-O 2.9Å; R86-E92 PolarHBondContact NH2-O 3.25Å
87A94.4Very high90.3Very high50 Ų5091.1 Ų91.141%0.41349%0.491SS..Hα-helixtrans-60.5-42.2176.900000112N83 L84 M89 N90 L93N83-A87 WeakPolarHBondContact O-CB 3.42Å; N83-A87 PolarHBondContact O-N 2.72Å; L84-A87 PolarHBondContact O-N 3.04Å; A87-M89 PolarHBondContact O-N 3.22Å; A87-N90 PolarHBondContact O-N 2.94Å; A87-L93 HydrophobicContact CB-CD2 4.2Å
88A95.6Very high89.5Confident80 Ų8092.4 Ų92.466%0.66149%0.492SS*.Hα-helixtrans-61.8-28.3176.200000113.2L84 L85 R86 N90L84-A88 PolarHBondContact O-N 3.47Å; L85-A88 PolarHBondContact O-N 3.38Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 2.89Å; A88-N90 VanDerWaalsContact C-N 3.35Å
89M95.7Very high88.7Confident125 Ų12589.3 Ų89.362%0.61648%0.477SS*.THydrogen-bonded Turntrans-92.713.9175.4-62.6-168.4-60.800113.6L85 R86 A87 Q91L85-M89 PolarHBondContact O-N 3.11Å; R86-M89 CarbonylContact O-C 3.59Å; R86-M89 PolarHBondContact O-N 3.44Å; R86-M89 VanDerWaalsContact O-N 3.1Å; A87-M89 PolarHBondContact O-N 3.22Å; M89-Q91 HydrophobicContact CB-CG 4.32Å; M89-Q91 PolarHBondContact O-N 3.02Å
90N92.6Very high87.7Confident157 Ų15787.2 Ų87.284%0.8447%0.471SS*.THydrogen-bonded Turntrans5430.4-174.5-59.1-61.2000113.7R86 A87 A88R86-N90 PolarHBondContact O-N 3.06Å; A87-N90 PolarHBondContact O-N 2.94Å; A88-N90 VanDerWaalsContact C-N 3.35Å
91Q93.5Very high86.8Confident99 Ų9990.9 Ų90.946%0.46348%0.483SS..PPolyproline II helixtrans-92.2151.8171.6-65-158.2-21.800111.1R86 M89R86-Q91 HydrophobicContact CB-CB 4.06Å; R86-Q91 WeakPolarHBondContact O-CB 3.42Å; R86-Q91 PolarHBondContact O-N 3.33Å; M89-Q91 HydrophobicContact CB-CG 4.32Å; M89-Q91 PolarHBondContact O-N 3.02Å
92E90.5Very high86Confident167 Ų16790.9 Ų90.978%0.7849%0.487SS*.PPolyproline II helixtrans-64140.8173.4-165.5174.8-173.900110.9R86R86-E92 PolarHBondContact NE-O 2.9Å; R86-E92 PolarHBondContact NH2-O 3.25Å
93L90.2Very high85.3Confident95 Ų9590 Ų9050%0.49749%0.49SS..PPolyproline II helixtrans-60.6152.2177.1-59.8178.6000110.7N83 A87N83-L93 HydrophobicContact CB-CD2 3.87Å; N83-L93 WeakPolarHBondContact O-CD2 3Å; A87-L93 HydrophobicContact CB-CD2 4.2Å
94L85.8Confident84.5Confident35 Ų3593 Ų9318%0.18351%0.506CS..PPolyproline II helixtrans-59.9133.6173.1-77.7147000110.1I82 N83 I98I82-L94 HydrophobicContact CB-CD1 3.98Å; I82-L94 HydrophobicContact CG2-CD1 3.44Å; I82-L94 VanDerWaalsContact CG2-CD1 3.44Å; N83-L94 WeakPolarHBondContact OD1-CB 3.31Å; N83-L94 PolarHBondContact OD1-N 3.3Å; L94-I98 HydrophobicContact CB-CD1 4.44Å; L94-I98 HydrophobicContact CD2-CD1 3.55Å
95P82.3Confident83.9Confident71 Ų7190.4 Ų90.446%0.46150%0.499SS..PPolyproline II helixtrans-52.7140.7172.5-27.131.9000112.5S97 I98P95-S97 PolarHBondContact O-N 2.98Å; P95-I98 HydrophobicContact CB-CD1 4.4Å; P95-I98 HydrophobicContact CB-CG1 4.38Å; P95-I98 HydrophobicContact CG-CD1 4.21Å; P95-I98 PolarHBondContact O-N 3.04Å; P95-I98 VanDerWaalsContact O-N 3.11Å
96E77.8Confident83.3Confident124 Ų12491 Ų9158%0.57950%0.502SS*.THydrogen-bonded Turntrans-60.9-19.3178-66.8-155138.200113.2R79 I98 V99 G100R79-E96 IonicContact NH2-OE1 3.91Å; E96-I98 PolarHBondContact O-N 2.82Å; E96-V99 CarbonylContact O-C 3.57Å; E96-G100 WeakPolarHBondContact O-CA 3.46Å; E96-G100 PolarHBondContact O-N 2.72Å; E96-G100 VanDerWaalsContact O-N 3.1Å
97S75Confident82.8Confident107 Ų10789.2 Ų89.275%0.74850%0.498SS*.THydrogen-bonded Turntrans-68.1-16.9176.658.80000114.6P95P95-S97 PolarHBondContact O-N 2.98Å
98I73Confident82.3Confident101 Ų10191.9 Ų91.952%0.51851%0.505SS..THydrogen-bonded Turntrans-82.4-50.4-175.5-57.8176.4000110.7L94 P95 E96L94-I98 HydrophobicContact CB-CD1 4.44Å; L94-I98 HydrophobicContact CD2-CD1 3.55Å; P95-I98 HydrophobicContact CB-CD1 4.4Å; P95-I98 HydrophobicContact CB-CG1 4.38Å; P95-I98 HydrophobicContact CG-CD1 4.21Å; P95-I98 PolarHBondContact O-N 3.04Å; P95-I98 VanDerWaalsContact O-N 3.11Å; E96-I98 PolarHBondContact O-N 2.82Å
99V72.3Confident81.8Confident29 Ų2993.8 Ų93.818%0.17650%0.5CS..SBendtrans-14690.6171.6-179.60000106.6L75 R79 E96L75-V99 HydrophobicContact CB-CG1 4.09Å; R79-V99 HydrophobicContact CB-CB 4.23Å; R79-V99 HydrophobicContact CB-CG1 4.33Å; R79-V99 HydrophobicContact CG-CB 4.13Å; R79-V99 PolarHBondContact NE-O 2.99Å; R79-V99 VanDerWaalsContact NE-O 3.16Å; E96-V99 CarbonylContact O-C 3.57Å
100G70Confident81.3Confident5 Ų592.7 Ų92.75%0.05249%0.491CS..  trans-117.7164.9-176.100000112.7E96 D102 A103E96-G100 WeakPolarHBondContact O-CA 3.46Å; E96-G100 PolarHBondContact O-N 2.72Å; E96-G100 VanDerWaalsContact O-N 3.1Å; G100-D102 PolarHBondContact O-N 2.78Å; G100-D102 VanDerWaalsContact O-N 3.09Å; G100-A103 PolarHBondContact O-N 2.99Å
101K70.7Confident80.8Confident157 Ų15788 Ų8868%0.68346%0.464SS*.Hα-helixtrans-58.8-20.6176.1-66.5171.7-178.5168.30112.6A103 L104 S105K101-A103 VanDerWaalsContact C-N 3.29Å; K101-A103 PolarHBondContact O-N 2.99Å; K101-L104 VanDerWaalsContact O-CB 3.25Å; K101-L104 WeakPolarHBondContact O-CB 3.47Å; K101-L104 PolarHBondContact O-N 3.29Å; K101-S105 PolarHBondContact O-N 2.87Å; K101-S105 VanDerWaalsContact O-N 3.11Å
102D76Confident80.3Confident116 Ų11690.3 Ų90.362%0.6248%0.475SS*.Hα-helixtrans-60.8-34.7178.6-58.6-14.3000113G100 L104 S105 L106G100-D102 PolarHBondContact O-N 2.78Å; G100-D102 VanDerWaalsContact O-N 3.09Å; D102-L104 VanDerWaalsContact C-N 3.28Å; D102-L104 PolarHBondContact O-N 3.24Å; D102-S105 WeakPolarHBondContact O-CB 3.45Å; D102-S105 PolarHBondContact O-N 2.89Å; D102-L106 PolarHBondContact O-N 3.44Å
103A77.4Confident79.8Confident54 Ų5488.5 Ų88.545%0.44647%0.467SS..Hα-helixtrans-67.1-31.4175.900000112.1F72 G100 K101 L106 L107F72-A103 HydrophobicContact CD2-CB 4.36Å; F72-A103 HydrophobicContact CE2-CB 3.81Å; G100-A103 PolarHBondContact O-N 2.99Å; K101-A103 VanDerWaalsContact C-N 3.29Å; K101-A103 PolarHBondContact O-N 2.99Å; A103-L106 PolarHBondContact O-N 2.7Å; A103-L107 PolarHBondContact O-N 3.41Å; A103-L107 VanDerWaalsContact O-N 3.09Å
104L76.6Confident78.9Confident73 Ų7387.3 Ų87.338%0.38246%0.459SS..Hα-helixtrans-69.2-43.3171.8-116.2177.3000111.3F72 K101 D102 L106 L107 L108F72-L104 HydrophobicContact CD1-CD1 3.62Å; F72-L104 HydrophobicContact CD1-CD2 4.36Å; F72-L104 HydrophobicContact CD1-CG 3.49Å; F72-L104 VanDerWaalsContact CD1-CG 3.49Å; F72-L104 HydrophobicContact CE1-CB 3.98Å; F72-L104 HydrophobicContact CE1-CD1 3.17Å; F72-L104 HydrophobicContact CE1-CG 3.29Å; F72-L104 HydrophobicContact CG-CG 4.19Å; F72-L104 HydrophobicContact CZ-CB 4.05Å; F72-L104 HydrophobicContact CZ-CD1 4.01Å; F72-L104 HydrophobicContact CZ-CG 3.86Å; K101-L104 VanDerWaalsContact O-CB 3.25Å; K101-L104 WeakPolarHBondContact O-CB 3.47Å; K101-L104 PolarHBondContact O-N 3.29Å; D102-L104 VanDerWaalsContact C-N 3.28Å; D102-L104 PolarHBondContact O-N 3.24Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.8Å; L104-L107 PolarHBondContact O-N 2.89Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 PolarHBondContact O-N 2.91Å
105S82.4Confident78Confident77 Ų7797.1 Ų97.154%0.53849%0.493SS..Hα-helixtrans-59.8-39.3174.1-72.90000111.6K101 D102 L108 Q109K101-S105 PolarHBondContact O-N 2.87Å; K101-S105 VanDerWaalsContact O-N 3.11Å; D102-S105 WeakPolarHBondContact O-CB 3.45Å; D102-S105 PolarHBondContact O-N 2.89Å; S105-L108 PolarHBondContact O-N 3.21Å; S105-Q109 VanDerWaalsContact O-CB 3.25Å; S105-Q109 WeakPolarHBondContact O-CB 3.36Å; S105-Q109 PolarHBondContact O-N 3.06Å
106L83.6Confident77Confident116 Ų11696.9 Ų96.961%0.60750%0.504SS*.Hα-helixtrans-65.3-42.2176.5-17066.9000112D102 A103 L104 Q109 F110D102-L106 PolarHBondContact O-N 3.44Å; A103-L106 PolarHBondContact O-N 2.7Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.8Å; L106-Q109 PolarHBondContact O-N 3.14Å; L106-F110 WeakPolarHBondContact O-CB 3.3Å; L106-F110 PolarHBondContact O-N 3.15Å
107L83.4Confident76.1Confident35 Ų3594.5 Ų94.518%0.18350%0.501CS..Hα-helixtrans-62.7-44.7175.7-166.178.9000111.2A68 R69 A103 L104 F110 E111A68-L107 HydrophobicContact CB-CD1 3.6Å; A68-L107 HydrophobicContact CB-CD2 4.34Å; R69-L107 HydrophobicContact CG-CD2 3.58Å; A103-L107 PolarHBondContact O-N 3.41Å; A103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 2.89Å; L107-F110 WeakPolarHBondContact O-CB 3.43Å; L107-F110 PolarHBondContact O-N 3.42Å; L107-E111 WeakPolarHBondContact O-CG 3.29Å; L107-E111 PolarHBondContact O-N 3.48Å
108L82.9Confident75.3Confident107 Ų10793.8 Ų93.856%0.5649%0.488SS*.Hα-helixtrans-66-41.4179.3-155.281.5000111.7L104 S105 F110 E111 Q112L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 PolarHBondContact O-N 2.91Å; S105-L108 PolarHBondContact O-N 3.21Å; L108-F110 VanDerWaalsContact C-N 3.33Å; L108-E111 PolarHBondContact O-N 2.94Å; L108-Q112 PolarHBondContact O-N 2.65Å
109Q86.5Confident74.4Confident119 Ų11994 Ų9456%0.55650%0.496SS*.Hα-helixtrans-62.8-42.4175.7-174174.239.300111.1S105 L106 Q112 Q113S105-Q109 VanDerWaalsContact O-CB 3.25Å; S105-Q109 WeakPolarHBondContact O-CB 3.36Å; S105-Q109 PolarHBondContact O-N 3.06Å; L106-Q109 PolarHBondContact O-N 3.14Å; Q109-Q112 PolarHBondContact O-N 3.08Å; Q109-Q113 PolarHBondContact O-N 3.5Å
110F83.7Confident73.5Confident102 Ų10298.9 Ų98.945%0.44752%0.52SS..Hα-helixtrans-58.6-48.9174.7-178.3-98.7000111.1L106 L107 L108 Q112 Q113 Q114L106-F110 WeakPolarHBondContact O-CB 3.3Å; L106-F110 PolarHBondContact O-N 3.15Å; L107-F110 WeakPolarHBondContact O-CB 3.43Å; L107-F110 PolarHBondContact O-N 3.42Å; L108-F110 VanDerWaalsContact C-N 3.33Å; F110-Q112 VanDerWaalsContact C-N 3.29Å; F110-Q112 PolarHBondContact O-N 2.9Å; F110-Q113 PolarHBondContact O-N 3.5Å; F110-Q114 HydrophobicContact CD1-CG 4.37Å; F110-Q114 HydrophobicContact CE1-CG 4.13Å; F110-Q114 HydrophobicContact CZ-CG 4.3Å; F110-Q114 VanDerWaalsContact O-CG 3.23Å; F110-Q114 WeakPolarHBondContact O-CG 3.16Å; F110-Q114 PolarHBondContact O-N 3.45Å
111E82.5Confident72.5Confident58 Ų58110.1 Ų110.127%0.27156%0.561SS.*Hα-helixtrans-59.2-38.4177.6-71.1-174.3152.900113R69 L107 L108 Q114 R115R69-E111 IonicContact CZ-OE1 3.31Å; R69-E111 IonicContact NH1-OE1 2.85Å; R69-E111 PolarHBondContact NH1-OE1 2.74Å; R69-E111 IonicContact NH1-OE2 3.61Å; L107-E111 WeakPolarHBondContact O-CG 3.29Å; L107-E111 PolarHBondContact O-N 3.48Å; L108-E111 PolarHBondContact O-N 2.94Å; E111-Q114 PolarHBondContact O-N 2.76Å; E111-R115 PolarHBondContact O-N 2.78Å
112Q83.1Confident71.3Confident148 Ų148110 Ų11069%0.69256%0.563SS**Hα-helixtrans-70.6-37.3-178-154.4154.123.700112.4L108 Q109 F110 Q114 R115L108-Q112 PolarHBondContact O-N 2.65Å; Q109-Q112 PolarHBondContact O-N 3.08Å; F110-Q112 VanDerWaalsContact C-N 3.29Å; F110-Q112 PolarHBondContact O-N 2.9Å; Q112-Q114 VanDerWaalsContact C-N 3.28Å; Q112-Q114 PolarHBondContact O-N 3.43Å; Q112-R115 PolarHBondContact O-N 3.05Å
113Q79.7Confident70Confident129 Ų129109.9 Ų109.960%0.60357%0.568SS**Hα-helixtrans-68.8-28177.1-157.4163.4-11.700112.3Q109 F110 S117Q109-Q113 PolarHBondContact O-N 3.5Å; F110-Q113 PolarHBondContact O-N 3.5Å; Q113-S117 WeakPolarHBondContact O-CB 3.31Å; Q113-S117 PolarHBondContact O-N 3.4Å; Q113-S117 PolarHBondContact O-OG 3.45Å
114Q71.1Confident68.4Low70 Ų70116.1 Ų116.133%0.32759%0.588SS.*Hα-helixtrans-74.8-30.6177.7-63.5-66.1-12.800113.1F110 E111 Q112 G116F110-Q114 HydrophobicContact CD1-CG 4.37Å; F110-Q114 HydrophobicContact CE1-CG 4.13Å; F110-Q114 HydrophobicContact CZ-CG 4.3Å; F110-Q114 VanDerWaalsContact O-CG 3.23Å; F110-Q114 WeakPolarHBondContact O-CG 3.16Å; F110-Q114 PolarHBondContact O-N 3.45Å; E111-Q114 PolarHBondContact O-N 2.76Å; Q112-Q114 VanDerWaalsContact C-N 3.28Å; Q112-Q114 PolarHBondContact O-N 3.43Å; Q114-G116 PolarHBondContact O-N 3.2Å
115R67.2Low66.7Low241 Ų241117.2 Ų117.291%0.90960%0.602SS**Hα-helixtrans-63.4-24.5175.1-111.2-168.1-161.3-121.26.3113.3E111 Q112E111-R115 PolarHBondContact O-N 2.78Å; Q112-R115 PolarHBondContact O-N 3.05Å
116G61Low65Low66 Ų66119.5 Ų119.568%0.6861%0.613SS**Hα-helixtrans-101.8-15.3-17700000115.9Q114 I118Q114-G116 PolarHBondContact O-N 3.2Å; G116-I118 PolarHBondContact O-N 3.45Å
117S59.6Low62.9Low74 Ų74119.2 Ų119.252%0.51762%0.616SS.*SBendtrans-90.21.9-159.9-73.70000117.1Q113Q113-S117 WeakPolarHBondContact O-CB 3.31Å; Q113-S117 PolarHBondContact O-N 3.4Å; Q113-S117 PolarHBondContact O-OG 3.45Å
118I58.6Low60.9Low93 Ų93124.5 Ų124.548%0.47764%0.644SS.*  trans-123.9103.1175.6-54173.2000108.5G116 L120G116-I118 PolarHBondContact O-N 3.45Å; I118-L120 PolarHBondContact O-N 3.01Å
119P54.1Low58.5Low105 Ų105124.2 Ų124.268%0.68265%0.651SS**  trans-53.2117160.5-15.728.2000106.1W121P119-W121 PolarHBondContact O-N 2.84Å
120L52.3Low56.2Low131 Ų131123.4 Ų123.469%0.68666%0.658SS**  trans-51.1111.2169.6-177.971.3000105I118 Q122I118-L120 PolarHBondContact O-N 3.01Å; L120-Q122 HydrophobicContact CD2-CG 4.4Å; L120-Q122 PolarHBondContact O-N 3.19Å
121W50.2Low54Low242 Ų242125.2 Ų125.292%0.91768%0.678SS**  trans-57.797.1171-81.672.6000105.5P119 P123P119-W121 PolarHBondContact O-N 2.84Å; W121-P123 WeakPolarHBondContact O-CD 3.46Å
122Q44.4Very low52.1Low153 Ų153126.5 Ų126.572%0.71570%0.698SS**  trans-78.5117.3171.5-72.2-176.1-9.300103.7L120 E124L120-Q122 HydrophobicContact CD2-CG 4.4Å; L120-Q122 PolarHBondContact O-N 3.19Å; Q122-E124 PolarHBondContact O-N 3.19Å
123P50.2Low50Low114 Ų114125.6 Ų125.674%0.7471%0.705SS**  trans-55.2122.2165.6-10.624.2000104.7W121 S125W121-P123 WeakPolarHBondContact O-CD 3.46Å; P123-S125 PolarHBondContact O-N 3.17Å
124E42.6Very low48Very low185 Ų185122.7 Ų122.786%0.86471%0.71SS**  trans-53.4102.4163.1-85.2177.8121.900104.6Q122 V126Q122-E124 PolarHBondContact O-N 3.19Å; E124-V126 WeakPolarHBondContact O-CG2 3.48Å; E124-V126 PolarHBondContact O-N 3.29Å
125S42.2Very low46.6Very low97 Ų97126.7 Ų126.768%0.67874%0.739SS**  trans-62.397.9169.452.70000103.3P123 T127P123-S125 PolarHBondContact O-N 3.17Å; S125-T127 PolarHBondContact O-N 2.88Å; S125-T127 PolarHBondContact O-OG1 3.39Å
126V46.2Very low45.2Very low124 Ų124121.1 Ų121.175%0.75274%0.737SS**  trans-64.987.5167-155.40000103.1E124 L128E124-V126 WeakPolarHBondContact O-CG2 3.48Å; E124-V126 PolarHBondContact O-N 3.29Å; V126-L128 PolarHBondContact O-N 3.38Å
127T39.2Very low44.3Very low111 Ų111122.7 Ų122.768%0.68174%0.744SS**  trans-63.392.2170.7-8.50000103.7S125 S129S125-T127 PolarHBondContact O-N 2.88Å; S125-T127 PolarHBondContact O-OG1 3.39Å; T127-S129 PolarHBondContact O-N 3.32Å
128L41.6Very low43.2Very low146 Ų146124.7 Ų124.776%0.76476%0.757SS**  trans-59.493.1153.6-89.399.9000104.6V126 S130V126-L128 PolarHBondContact O-N 3.38Å; L128-S130 PolarHBondContact O-N 3.41Å
129S33.4Very low42.4Very low101 Ų101127 Ų12771%0.70678%0.776SS**  trans-63.575.3163.3-610000107T127 T131T127-S129 PolarHBondContact O-N 3.32Å; S129-T131 PolarHBondContact O-N 3.08Å
130S37.7Very low41.6Very low101 Ų101126.2 Ų126.271%0.70678%0.779SS**  trans-70.788.3160.4-78.40000106.4L128 A132L128-S130 PolarHBondContact O-N 3.41Å; S130-A132 PolarHBondContact O-N 3.07Å
131T37.5Very low41.2Very low140 Ų140126 Ų12686%0.85979%0.788SS**  trans-61.590.3154.824.80000108.1S129S129-T131 PolarHBondContact O-N 3.08Å
132A41.8Very low40.6Very low85 Ų85125.5 Ų125.570%0.70279%0.786SS**  trans-116.1115.9157.300000107.1S130S130-A132 PolarHBondContact O-N 3.07Å
133P40.2Very low40.4Very low129 Ų129124.6 Ų124.684%0.83879%0.791SS**  trans-80.3128.4175.631.5-28.3000109.5
134G36.5Very low39.8Very low69 Ų69123.6 Ų123.671%0.71179%0.787SS**  trans66.1102.7144.800000117.8
135V42.7Very low39.3Very low154 Ų154122.7 Ų122.793%0.93378%0.783SS**  -155.3109.1124.7-89.40000108.5
136S36.8Very low39Very low124 Ų124125.6 Ų125.687%0.86779%0.789SS**  trans-82.3123.7164.8-54.60000108.1
137A43.3Very low38.5Very low99 Ų99126.9 Ų126.982%0.81879%0.792SS**  trans-170.1112.2146.100000111.7
138S35.2Very low38.6Very low115 Ų115126.5 Ų126.580%0.80479%0.792SS**  trans-30.7137.5157.6-42.10000115.6
139T42.8Very low38.1Very low142 Ų142127.4 Ų127.487%0.87180%0.796SS**  -155127129.4-53.20000109.2
140A37.9Very low38.1Very low89 Ų89126.7 Ų126.774%0.73680%0.797SS**  trans-75.3146.7176.900000111.6
141S43.9Very low37.9Very low126 Ų126130 Ų13088%0.88180%0.801SS**  trans-153.2120.4147.6-79.30000109.2
142R36.7Very low37.8Very low232 Ų232131 Ų13188%0.87580%0.8SS**  trans-84.5178.5173.5-76178157.8-171.3-6.3109.5
143T39Very low37.5Very low133 Ų133133.7 Ų133.782%0.81680%0.802SS**  trans90.9133.6163.7-19.60000113.7
144S38.8Very low37.5Very low94 Ų94135.5 Ų135.566%0.65780%0.802SS**  cis-170.1142.9-18.3-94.80000107.6
145Q32.6Very low37.5Very low166 Ų166136.9 Ų136.978%0.77680%0.798SS**  trans57.7128144-56.2-162.513.700122.2
146L35.9Very low37.2Very low157 Ų157134.8 Ų134.882%0.82280%0.797SS**  156.5115108.8-77.5174.4000111.6
147D34.3Very low37.3Very low152 Ų152134 Ų13481%0.81379%0.791SS**  trans-88.5169.1143-108-51.5000107.1
148P42.7Very low36.8Very low103 Ų103132.3 Ų132.367%0.66978%0.783SS**  cis-150.1176.921.434-8.7000118.5
149L29.5Very low37.2Very low165 Ų165137.3 Ų137.386%0.86479%0.786SS**  trans66.2121.6146-75166.1000122.7
150A34.1Very low37.1Very low86 Ų86135.4 Ų135.471%0.71178%0.776SS**  168.2132.6114.500000115
151H33.5Very low37.3Very low170 Ų170137.8 Ų137.879%0.78779%0.786SS**  trans58.4120.3147-81.8-99.6000119
152L35.9Very low36.9Very low160 Ų160137.7 Ų137.784%0.83878%0.775SS**  -155.9133.761-77.1165.4000113.6
153N34.8Very low36.9Very low142 Ų142135.4 Ų135.476%0.75977%0.772SS**  trans-33.8128151.6-151.318.7000115
154M40.2Very low37.1Very low168 Ų168135 Ų13583%0.82877%0.774SS**  trans-153.5142149.7-101.6-59.198.300111.4
155P37.5Very low37.5Very low97 Ų97135.7 Ų135.763%0.6378%0.777SS**  trans-89.5159.2-157.237.1-34.5000112.9S157P155-S157 PolarHBondContact O-N 3.38Å; P155-S157 VanDerWaalsContact O-N 3.12Å
156A35.8Very low38.3Very low110 Ų110133.7 Ų133.791%0.90978%0.775SS**  trans-49.3111.4167.700000111.4
157S39.5Very low39.1Very low107 Ų107133.6 Ų133.675%0.74878%0.775SS**  trans-139104.6165.1-167.70000109.8P155P155-S157 PolarHBondContact O-N 3.38Å; P155-S157 VanDerWaalsContact O-N 3.12Å
158G32.1Very low39.7Very low64 Ų64130.5 Ų130.566%0.6676%0.758SS**  trans21.1105.8155.800000119.6
159Y43.3Very low40.9Very low221 Ų221129.1 Ų129.187%0.86775%0.745SS**  trans-128.1125.8136.6-72.9-78.9000109C161Y159-C161 PolarHBondContact O-N 2.76Å
160P40.6Very low43.2Very low101 Ų101122.8 Ų122.866%0.65671%0.714SS**  trans-69.4127.5179.5-7.723.7000108.9L162P160-L162 HydrophobicContact CB-CB 4.46Å; P160-L162 HydrophobicContact CB-CD1 3.4Å; P160-L162 VanDerWaalsContact CB-CD1 3.4Å; P160-L162 HydrophobicContact CG-CD1 4.49Å; P160-L162 PolarHBondContact O-N 2.96Å
161C42.6Very low45.7Very low139 Ų139122.7 Ų122.794%0.93971%0.705SS**  trans-64.777160.3-68.90000108.9Y159Y159-C161 PolarHBondContact O-N 2.76Å
162L35.7Very low48.4Very low124 Ų124114.6 Ų114.665%0.64967%0.668SS**  trans-118.3107.5171.1-96.9103.9000107.8P160P160-L162 HydrophobicContact CB-CB 4.46Å; P160-L162 HydrophobicContact CB-CD1 3.4Å; P160-L162 VanDerWaalsContact CB-CD1 3.4Å; P160-L162 HydrophobicContact CG-CD1 4.49Å; P160-L162 PolarHBondContact O-N 2.96Å
163F36.7Very low50.9Low185 Ų185112.4 Ų112.481%0.81166%0.661SS**  trans66.281.1157.9-63.3-94.9000117.1
164S43.8Very low53.5Low123 Ų123109.7 Ų109.786%0.8665%0.653SS**  trans-91.7117.4138.2-86.90000107.3V166S164-V166 PolarHBondContact O-N 3Å
165P46.3Very low56Low110 Ų110104.2 Ų104.271%0.71463%0.631SS**  trans-65.2131.3174.929.3-30.1000107.1L167P165-L167 PolarHBondContact O-N 2.94Å; P165-L167 VanDerWaalsContact O-N 3.15Å
166V49.7Very low58.4Low124 Ų124107.3 Ų107.375%0.75264%0.637SS**  trans-34.9122.4162.3-96.70000109.1S164 D168S164-V166 PolarHBondContact O-N 3Å; V166-D168 PolarHBondContact O-N 3.03Å
167L52.7Low60.8Low155 Ų155107.1 Ų107.181%0.81262%0.617SS**  trans-58.399.8179.1-162.673.4000107.3P165 L169P165-L167 PolarHBondContact O-N 2.94Å; P165-L167 VanDerWaalsContact O-N 3.15Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 HydrophobicContact CB-CD1 4.23Å; L167-L169 HydrophobicContact CD2-CD1 3.99Å; L167-L169 HydrophobicContact CG-CD1 4.1Å; L167-L169 VanDerWaalsContact O-CD1 3.25Å; L167-L169 WeakPolarHBondContact O-CD1 3.4Å; L167-L169 PolarHBondContact O-N 3.45Å
168D47.9Very low63.1Low86 Ų86108.6 Ų108.646%0.4661%0.612SS.*  trans-67.387.3-178.4-83.4-26.5000109.5V166 S170 R181V166-D168 PolarHBondContact O-N 3.03Å; D168-S170 PolarHBondContact O-N 3.3Å; D168-R181 WeakPolarHBondContact O-CB 3.49Å; D168-R181 IonicContact OD2-CZ 2.69Å; D168-R181 VanDerWaalsContact OD2-CZ 3.31Å; D168-R181 IonicContact OD2-NE 4Å; D168-R181 IonicContact OD2-NH1 3.21Å; D168-R181 IonicContact OD2-NH2 3.05Å; D168-R181 PolarHBondContact OD2-NH2 2.89Å
169L66.5Low65.6Low75 Ų75106.3 Ų106.339%0.39359%0.585SS.*PPolyproline II helixtrans-69124.4167.2-83.977.9000108.5L167 Q178L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 HydrophobicContact CB-CD1 4.23Å; L167-L169 HydrophobicContact CD2-CD1 3.99Å; L167-L169 HydrophobicContact CG-CD1 4.1Å; L167-L169 VanDerWaalsContact O-CD1 3.25Å; L167-L169 WeakPolarHBondContact O-CD1 3.4Å; L167-L169 PolarHBondContact O-N 3.45Å; L169-Q178 HydrophobicContact CB-CB 4.04Å; L169-Q178 HydrophobicContact CB-CG 4.08Å; L169-Q178 HydrophobicContact CD2-CB 3.59Å; L169-Q178 HydrophobicContact CD2-CG 4.3Å; L169-Q178 HydrophobicContact CG-CB 4.42Å
170S77.7Confident67.5Low31 Ų31102.3 Ų102.322%0.21757%0.574CS.*EExtended strand (participates in β ladder)trans-82160.216958.40000110.7D168 Q178 I179 H180 R181D168-S170 PolarHBondContact O-N 3.3Å; S170-Q178 CarbonylContact O-C 3.57Å; S170-Q178 WeakPolarHBondContact O-CA 3.42Å; S170-I179 PolarHBondContact N-O 2.86Å; S170-I179 CarbonylContact O-C 3.54Å; S170-I179 VanDerWaalsContact O-CG1 3.31Å; S170-I179 WeakPolarHBondContact O-CG1 3.48Å; S170-I179 PolarHBondContact O-N 3.34Å; S170-I179 PolarHBondContact OG-O 3.5Å; S170-H180 PolarHBondContact OG-O 2.96Å; S170-R181 VanDerWaalsContact OG-CA 3.3Å; S170-R181 WeakPolarHBondContact OG-CA 3.42Å
171T86.8Confident69.3Low85 Ų85105.1 Ų105.152%0.52157%0.571SS.*EExtended strand (participates in β ladder)trans-100.1140.9176.749.20000112.1T173 Q176 Q177T171-T173 PolarHBondContact O-N 3.43Å; T171-Q176 WeakPolarHBondContact CG2-O 3.21Å; T171-Q177 CarbonylContact C-O 3.48Å; T171-Q177 WeakPolarHBondContact CA-O 3.45Å
172C90.2Very high71Confident0 Ų0105 Ų1050%056%0.561CS.*PPolyproline II helixtrans-57.7123.4174.9176.30000111.2S174 C175 Q176 Q177 I179 C186C172-S174 PolarHBondContact O-N 2.95Å; C172-S174 PolarHBondContact SG-N 2.76Å; C172-S174 VanDerWaalsContact SG-N 3.4Å; C172-C175 PolarHBondContact O-N 2.84Å; C172-C175 PolarHBondContact SG-N 3.03Å; C172-C175 PolarHBondContact SG-SG 3.29Å; C172-Q176 WeakPolarHBondContact O-CA 3.4Å; C172-Q176 PolarHBondContact O-N 2.98Å; C172-Q177 WeakPolarHBondContact CB-O 3.4Å; C172-Q177 PolarHBondContact N-O 3Å; C172-I179 VanDerWaalsContact CA-CD1 3.45Å; C172-I179 HydrophobicContact CB-CD1 3.9Å; C172-I179 HydrophobicContact CB-CG1 4.47Å; C172-I179 HydrophobicContact CB-CG2 4.26Å; C172-C186 HydrophobicContact CB-CB 4.01Å; C172-C186 PolarHBondContact SG-N 3.34Å
173T89.2Confident73.3Confident114 Ų114100.7 Ų100.770%0.69954%0.543SS*.THydrogen-bonded Turntrans-63-16.4178.245.20000114.3T171 P184 I185T171-T173 PolarHBondContact O-N 3.43Å; T173-P184 PolarHBondContact N-O 3.49Å; T173-P184 VanDerWaalsContact N-O 3.08Å; T173-P184 PolarHBondContact OG1-O 3.48Å; T173-I185 WeakPolarHBondContact OG1-CG2 3.37Å
174S89.1Confident75.6Confident85 Ų8596.2 Ų96.259%0.59453%0.533SS*.THydrogen-bonded Turntrans-99.8-32-179.2-170.40000114.3C172C172-S174 PolarHBondContact O-N 2.95Å; C172-S174 PolarHBondContact SG-N 2.76Å; C172-S174 VanDerWaalsContact SG-N 3.4Å
175C91.4Very high77.7Confident53 Ų5392.6 Ų92.636%0.35850%0.504SS..THydrogen-bonded Turntrans-135.52.7-175.970.90000114.5C172 Q177 C189C172-C175 PolarHBondContact O-N 2.84Å; C172-C175 PolarHBondContact SG-N 3.03Å; C172-C175 PolarHBondContact SG-SG 3.29Å; C175-Q177 PolarHBondContact O-N 3.06Å; C175-C189 VanDerWaalsContact SG-SG 3.66Å
176Q89.1Confident79.8Confident161 Ų16187.5 Ų87.575%0.75247%0.47SS*.  trans62.45.3176.3-54.417719.400116.4T171 C172T171-Q176 WeakPolarHBondContact CG2-O 3.21Å; C172-Q176 WeakPolarHBondContact O-CA 3.4Å; C172-Q176 PolarHBondContact O-N 2.98Å
177Q85.6Confident81.6Confident107 Ų10786.4 Ų86.450%0.547%0.466SS..  trans-62.4143.8171-71.2178.8-1500111.4T171 C172 C175 I179T171-Q177 CarbonylContact C-O 3.48Å; T171-Q177 WeakPolarHBondContact CA-O 3.45Å; C172-Q177 WeakPolarHBondContact CB-O 3.4Å; C172-Q177 PolarHBondContact N-O 3Å; C175-Q177 PolarHBondContact O-N 3.06Å; Q177-I179 PolarHBondContact O-N 3.43Å
178Q87.4Confident83.2Confident138 Ų13884.8 Ų84.865%0.64546%0.458SS*.EExtended strand (participates in β ladder)trans-63.1130.5174.3-81.5-169.2-40.700111.3L169 S170L169-Q178 HydrophobicContact CB-CB 4.04Å; L169-Q178 HydrophobicContact CB-CG 4.08Å; L169-Q178 HydrophobicContact CD2-CB 3.59Å; L169-Q178 HydrophobicContact CD2-CG 4.3Å; L169-Q178 HydrophobicContact CG-CB 4.42Å; S170-Q178 CarbonylContact O-C 3.57Å; S170-Q178 WeakPolarHBondContact O-CA 3.42Å
179I86.2Confident85.1Confident16 Ų1681.7 Ų81.78%0.08244%0.443CS..EExtended strand (participates in β ladder)trans-141.7159.2-176.259.7175.1000110.1S170 C172 Q177 R181 A183 C186S170-I179 PolarHBondContact N-O 2.86Å; S170-I179 CarbonylContact O-C 3.54Å; S170-I179 VanDerWaalsContact O-CG1 3.31Å; S170-I179 WeakPolarHBondContact O-CG1 3.48Å; S170-I179 PolarHBondContact O-N 3.34Å; S170-I179 PolarHBondContact OG-O 3.5Å; C172-I179 VanDerWaalsContact CA-CD1 3.45Å; C172-I179 HydrophobicContact CB-CD1 3.9Å; C172-I179 HydrophobicContact CB-CG1 4.47Å; C172-I179 HydrophobicContact CB-CG2 4.26Å; Q177-I179 PolarHBondContact O-N 3.43Å; I179-R181 PolarHBondContact O-N 3.48Å; I179-A183 HydrophobicContact CD1-CB 4Å; I179-A183 WeakPolarHBondContact CD1-O 3.46Å; I179-A183 HydrophobicContact CG1-CB 4.48Å; I179-C186 HydrophobicContact CG2-CB 3.48Å; I179-C186 VanDerWaalsContact CG2-CB 3.48Å
180H81.6Confident86.2Confident136 Ų13683.5 Ų83.563%0.6345%0.447SS*.  trans-53138.5177.7-177.1-92.2000112.3S170 N182 A183S170-H180 PolarHBondContact OG-O 2.96Å; H180-N182 PolarHBondContact O-N 3Å; H180-A183 WeakPolarHBondContact O-CB 3.45Å; H180-A183 PolarHBondContact O-N 2.86Å
181R79.5Confident86.4Confident160 Ų16085.4 Ų85.460%0.60446%0.461SS*.THydrogen-bonded Turntrans-47.6-29.4-169-158.9176.6-173171.214.1116.2D168 S170 I179D168-R181 WeakPolarHBondContact O-CB 3.49Å; D168-R181 IonicContact OD2-CZ 2.69Å; D168-R181 VanDerWaalsContact OD2-CZ 3.31Å; D168-R181 IonicContact OD2-NE 4Å; D168-R181 IonicContact OD2-NH1 3.21Å; D168-R181 IonicContact OD2-NH2 3.05Å; D168-R181 PolarHBondContact OD2-NH2 2.89Å; S170-R181 VanDerWaalsContact OG-CA 3.3Å; S170-R181 WeakPolarHBondContact OG-CA 3.42Å; I179-R181 PolarHBondContact O-N 3.48Å
182N78.2Confident86.3Confident136 Ų13688.9 Ų88.973%0.72747%0.469SS*.THydrogen-bonded Turntrans-100.85.9-175.8-61.1-20.3000113.7H180H180-N182 PolarHBondContact O-N 3Å
183A83.7Confident85.7Confident34 Ų3492 Ų9228%0.28149%0.49SS..  trans-100.1124.8179.400000110.4I179 H180I179-A183 HydrophobicContact CD1-CB 4Å; I179-A183 WeakPolarHBondContact CD1-O 3.46Å; I179-A183 HydrophobicContact CG1-CB 4.48Å; H180-A183 WeakPolarHBondContact O-CB 3.45Å; H180-A183 PolarHBondContact O-N 2.86Å
184P84.6Confident84.6Confident92 Ų9295.6 Ų95.660%0.59749%0.491SS*.SBendtrans-74-28.3177.126.2-32.4000112.9T173T173-P184 PolarHBondContact N-O 3.49Å; T173-P184 VanDerWaalsContact N-O 3.08Å; T173-P184 PolarHBondContact OG1-O 3.48Å
185I89.3Confident83.6Confident46 Ų4695.5 Ų95.524%0.23649%0.491CS..SBendtrans-141.6151.1-177.953.5174.9000111.4T173 C189 K190T173-I185 WeakPolarHBondContact OG1-CG2 3.37Å; I185-C189 HydrophobicContact CB-CB 4.22Å; I185-K190 HydrophobicContact CD1-CB 3.85Å; I185-K190 HydrophobicContact CD1-CG 4.17Å; I185-K190 HydrophobicContact CG1-CB 4.11Å
186C90.3Very high82.2Confident3 Ų3103.6 Ų103.62%0.0251%0.514CS..  trans-69.7162179.380.50000112.5C172 I179 L188 C189 K190C172-C186 HydrophobicContact CB-CB 4.01Å; C172-C186 PolarHBondContact SG-N 3.34Å; I179-C186 HydrophobicContact CG2-CB 3.48Å; I179-C186 VanDerWaalsContact CG2-CB 3.48Å; C186-L188 PolarHBondContact O-N 3.01Å; C186-C189 PolarHBondContact O-N 3.02Å; C186-C189 PolarHBondContact SG-N 3.34Å; C186-K190 VanDerWaalsContact O-CB 3.31Å; C186-K190 WeakPolarHBondContact O-CB 3.37Å; C186-K190 PolarHBondContact O-N 2.95Å
187P86.2Confident80.7Confident102 Ų102102.7 Ų102.766%0.66251%0.514SS*.Hα-helixtrans-55.1-37.4180-22.631.8000112.9K190 S191P187-K190 PolarHBondContact O-N 3.43Å; P187-S191 PolarHBondContact O-N 3.01Å; P187-S191 PolarHBondContact O-OG 3.38Å
188L86.8Confident79.5Confident120 Ų120102.3 Ų102.363%0.62852%0.521SS*.Hα-helixtrans-70.1-44.6179.7-58.1175.7000112C186 K190 S191 K192C186-L188 PolarHBondContact O-N 3.01Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-S191 PolarHBondContact O-N 3.37Å; L188-S191 PolarHBondContact O-OG 2.93Å; L188-K192 WeakPolarHBondContact O-CB 3.38Å; L188-K192 PolarHBondContact O-N 3.22Å
189C88.4Confident78.1Confident22 Ų22105.5 Ų105.515%0.14953%0.533CS..Hα-helixtrans-68.5-34175.3-71.10000111.7C175 I185 C186 K192 S193C175-C189 VanDerWaalsContact SG-SG 3.66Å; I185-C189 HydrophobicContact CB-CB 4.22Å; C186-C189 PolarHBondContact O-N 3.02Å; C186-C189 PolarHBondContact SG-N 3.34Å; C189-K192 PolarHBondContact O-N 3.06Å; C189-S193 WeakPolarHBondContact O-CB 3.5Å; C189-S193 PolarHBondContact O-N 3.32Å; C189-S193 PolarHBondContact O-OG 3.34Å
190K88.7Confident76.8Confident112 Ų112114.3 Ų114.349%0.48757%0.57SS.*Hα-helixtrans-65.6-40.4175.5-169.2176-177.2179.70112.1I185 C186 P187 L188 S193 R194I185-K190 HydrophobicContact CD1-CB 3.85Å; I185-K190 HydrophobicContact CD1-CG 4.17Å; I185-K190 HydrophobicContact CG1-CB 4.11Å; C186-K190 VanDerWaalsContact O-CB 3.31Å; C186-K190 WeakPolarHBondContact O-CB 3.37Å; C186-K190 PolarHBondContact O-N 2.95Å; P187-K190 PolarHBondContact O-N 3.43Å; L188-K190 VanDerWaalsContact C-N 3.33Å; K190-S193 WeakPolarHBondContact CA-OG 3.44Å; K190-S193 PolarHBondContact O-OG 3.1Å; K190-R194 PolarHBondContact O-N 3.16Å
191S82.8Confident75.7Confident71 Ų71112.5 Ų112.550%0.49758%0.579SS.*Hα-helixtrans-74.2-35.1175.343.90000112.3P187 L188 R194 S195P187-S191 PolarHBondContact O-N 3.01Å; P187-S191 PolarHBondContact O-OG 3.38Å; L188-S191 PolarHBondContact O-N 3.37Å; L188-S191 PolarHBondContact O-OG 2.93Å; S191-R194 PolarHBondContact O-N 3.31Å; S191-S195 PolarHBondContact O-N 2.91Å
192K83.6Confident74.4Confident159 Ų159114.8 Ų114.869%0.69159%0.593SS**Hα-helixtrans-65.9-35.4174.3-154.389.6175-164.90113.4L188 C189 S195L188-K192 WeakPolarHBondContact O-CB 3.38Å; L188-K192 PolarHBondContact O-N 3.22Å; C189-K192 PolarHBondContact O-N 3.06Å; K192-S195 PolarHBondContact O-OG 3.13Å
193S77.2Confident73.1Confident65 Ų65115.5 Ų115.546%0.45560%0.597SS.*Hα-helixtrans-74.9-35178.148.60000112.6C189 K190 S195C189-S193 WeakPolarHBondContact O-CB 3.5Å; C189-S193 PolarHBondContact O-N 3.32Å; C189-S193 PolarHBondContact O-OG 3.34Å; K190-S193 WeakPolarHBondContact CA-OG 3.44Å; K190-S193 PolarHBondContact O-OG 3.1Å; S193-S195 PolarHBondContact O-N 3.34Å
194R67.4Low71.5Confident189 Ų189125.4 Ų125.471%0.71363%0.627SS**Hα-helixtrans-68.4-28.8176.2-80.5-175.1169.8-140.1-0.5114.1K190 S191 R196K190-R194 PolarHBondContact O-N 3.16Å; S191-R194 PolarHBondContact O-N 3.31Å; R194-R196 VanDerWaalsContact C-N 3.25Å; R194-R196 PolarHBondContact O-N 3.21Å
195S67.1Low69.7Low84 Ų84130.2 Ų130.259%0.58764%0.638SS**THydrogen-bonded Turntrans-71-18.8-178.467.40000113.9S191 K192 S193S191-S195 PolarHBondContact O-N 2.91Å; K192-S195 PolarHBondContact O-OG 3.13Å; S193-S195 PolarHBondContact O-N 3.34Å
196R62Low67.5Low223 Ų223133 Ų13384%0.84267%0.668SS**THydrogen-bonded Turntrans-79.7-15.5-179.2-71.1-171.8174.5-158.4-1.5114.3R194R194-R196 VanDerWaalsContact C-N 3.25Å; R194-R196 PolarHBondContact O-N 3.21Å
197N59.1Low65.2Low141 Ų141139.9 Ų139.975%0.75471%0.705SS**SBendtrans-145.775.8179.2-148.115.8000111.2K199N197-K199 PolarHBondContact O-N 3.09Å; N197-K199 VanDerWaalsContact O-N 3.13Å
198P58.4Low63Low100 Ų100147.6 Ų147.665%0.64973%0.732SS**  trans-64.9117176.925.6-30.4000108.9K200P198-K200 PolarHBondContact O-N 3.07Å
199K59.5Low61.8Low205 Ų205149 Ų14989%0.89174%0.738SS**  trans-57.1112.8167-76-176.6177.3-178.20106.9N197 A201N197-K199 PolarHBondContact O-N 3.09Å; N197-K199 VanDerWaalsContact O-N 3.13Å; K199-A201 PolarHBondContact O-N 3.09Å
200K57.5Low60.4Low201 Ų201155.7 Ų155.787%0.87477%0.769SS**  trans-45.9118.8176.9-67.7-178.8179.2-179.80108.5P198 K202P198-K200 PolarHBondContact O-N 3.07Å; K200-K202 PolarHBondContact O-N 2.99Å; K200-K202 VanDerWaalsContact O-N 3.07Å
201A59.9Low58.8Low98 Ų98158.1 Ų158.181%0.8178%0.784SS**  trans-56118.2172.700000107.5K199 N203K199-A201 PolarHBondContact O-N 3.09Å; A201-N203 PolarHBondContact O-N 3.06Å; A201-N203 VanDerWaalsContact O-N 3.09Å
202K52.2Low57.4Low207 Ų207163.2 Ų163.290%0.980%0.801SS**  trans-65.3112.8179.5-166.3174.6-176.9178.60107K200 R204K200-K202 PolarHBondContact O-N 2.99Å; K200-K202 VanDerWaalsContact O-N 3.07Å; K202-R204 PolarHBondContact O-N 3.03Å
203N49.4Very low55.8Low151 Ų151163.5 Ų163.581%0.80781%0.808SS**  trans-40.7110.9178.1-111.5-19.5000110.8A201 K205A201-N203 PolarHBondContact O-N 3.06Å; A201-N203 VanDerWaalsContact O-N 3.09Å; N203-K205 PolarHBondContact O-N 3.1Å; N203-K205 VanDerWaalsContact O-N 3.1Å
204R51Low54.3Low242 Ų242170.1 Ų170.191%0.91383%0.832SS**  trans-70.599.2159.5-88.2-174.8166.3-161.5-2.7105.8K202 A206K202-R204 PolarHBondContact O-N 3.03Å; R204-A206 PolarHBondContact O-N 3.41Å; R204-A206 VanDerWaalsContact O-N 3.11Å
205K46.4Very low53.4Low193 Ų193168.7 Ų168.784%0.83984%0.84SS**  trans-60111.6169.9-71.9-174.9175.7-174.90107.9N203 N207N203-K205 PolarHBondContact O-N 3.1Å; N203-K205 VanDerWaalsContact O-N 3.1Å; K205-N207 PolarHBondContact O-N 3.11Å
206A43.5Very low52.4Low105 Ų105175.2 Ų175.287%0.86886%0.859SS**  trans-69.1112.7155.300000106.7R204R204-A206 PolarHBondContact O-N 3.41Å; R204-A206 VanDerWaalsContact O-N 3.11Å
207N42.6Very low51.5Low148 Ų148171.3 Ų171.379%0.79186%0.861SS**  trans-148.383.6164.3-173.667.6000107.8K205K205-N207 PolarHBondContact O-N 3.11Å
208E39Very low50.9Low264 Ų264174 Ų174100%1.23487%0.871SS**  trans-163.10137.8-113.8171.7157.900108.4

Retrieved 208 of 208 residues in 307.4 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).