A0A087XE48_POEFO Loading...

Prolactin releasing hormone 2

AlphaFold DB , UniProt , Accession A0A087XE48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 122 aa.

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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
1M44Very low54.8Low241 Ų241126.6 Ų126.6100%1.18767%0.674SS**  0111.70-72.7174.1129.700107.4
2L51.2Low54.8Low148 Ų148122.9 Ų122.978%0.77566%0.664SS**  trans-101.7110.7-173.6-81.6161.9000110G4L2-G4 PolarHBondContact O-N 3.36Å; L2-G4 VanDerWaalsContact O-N 3.17Å
3P54.5Low54.9Low115 Ų115121.8 Ų121.875%0.74766%0.656SS**THydrogen-bonded Turntrans-761.6-171.830-34.3000114.7
4G57.3Low54.9Low51 Ų51121 Ų12153%0.52665%0.65SS.*THydrogen-bonded Turntrans-87.2-16.6-175.800000115.8L2L2-G4 PolarHBondContact O-N 3.36Å; L2-G4 VanDerWaalsContact O-N 3.17Å
5R55.8Low55.2Low190 Ų190117.9 Ų117.972%0.71764%0.638SS**Hα-helixtrans-76.5-31.7-174.7-74.7170.365.8157.4-1.7112.7V9R5-V9 VanDerWaalsContact O-CG2 3.3Å; R5-V9 WeakPolarHBondContact O-CG2 3.42Å; R5-V9 PolarHBondContact O-N 3.13Å
6D55Low55.6Low115 Ų115115.1 Ų115.162%0.61563%0.63SS**Hα-helixtrans-75.1-29.3-176-60-30.1000112.6R10D6-R10 VanDerWaalsContact O-CG 3.26Å; D6-R10 WeakPolarHBondContact O-CG 3.48Å; D6-R10 PolarHBondContact O-N 3.36Å
7A56.8Low56.2Low58 Ų58120.3 Ų120.348%0.47964%0.638SS.*Hα-helixtrans-70.3-43.7175.600000112R10 Q11A7-R10 PolarHBondContact O-N 3.23Å; A7-Q11 PolarHBondContact O-N 3.4Å
8A58Low57Low59 Ų59123.1 Ų123.149%0.48864%0.638SS.*Hα-helixtrans-65.9-39.5179.300000112.4Q11 C12A8-Q11 PolarHBondContact O-N 3.49Å; A8-C12 WeakPolarHBondContact O-CB 3.5Å; A8-C12 PolarHBondContact O-N 3.3Å
9V58Low58.1Low84 Ų84121.7 Ų121.751%0.50963%0.631SS.*Hα-helixtrans-66.6-40.1177.31740000111.1R5 C12 I13R5-V9 VanDerWaalsContact O-CG2 3.3Å; R5-V9 WeakPolarHBondContact O-CG2 3.42Å; R5-V9 PolarHBondContact O-N 3.13Å; V9-C12 PolarHBondContact O-N 3.21Å; V9-I13 HydrophobicContact CG1-CD1 3.77Å; V9-I13 HydrophobicContact CG1-CG1 4.45Å; V9-I13 VanDerWaalsContact O-CG1 3.26Å; V9-I13 WeakPolarHBondContact O-CG1 3.3Å; V9-I13 PolarHBondContact O-N 2.98Å
10R55.9Low59.3Low196 Ų196119.1 Ų119.174%0.7462%0.622SS**Hα-helixtrans-64.8-39.3175.7-75.4176.5170.6-134.7-2112.7D6 A7 I13 L14D6-R10 VanDerWaalsContact O-CG 3.26Å; D6-R10 WeakPolarHBondContact O-CG 3.48Å; D6-R10 PolarHBondContact O-N 3.36Å; A7-R10 PolarHBondContact O-N 3.23Å; R10-I13 PolarHBondContact O-N 3.21Å; R10-L14 WeakPolarHBondContact O-CB 3.3Å; R10-L14 PolarHBondContact O-N 3.35Å
11Q55.8Low60.5Low136 Ų136115.7 Ų115.764%0.63661%0.612SS**Hα-helixtrans-65.1-40.1174.1-113.8162.9-21.300112.1A7 A8 L14 T15A7-Q11 PolarHBondContact O-N 3.4Å; A8-Q11 PolarHBondContact O-N 3.49Å; Q11-L14 PolarHBondContact O-N 3.25Å; Q11-T15 WeakPolarHBondContact O-CG2 3.45Å; Q11-T15 PolarHBondContact O-N 3.18Å; Q11-T15 PolarHBondContact O-OG1 3.32Å; Q11-T15 VanDerWaalsContact O-OG1 3.11Å
12C55.3Low62.6Low82 Ų82107 Ų10755%0.55458%0.578SS**Hα-helixtrans-66.1-39.1176.3-170.10000112.9A8 V9 T15 S16A8-C12 WeakPolarHBondContact O-CB 3.5Å; A8-C12 PolarHBondContact O-N 3.3Å; V9-C12 PolarHBondContact O-N 3.21Å; C12-T15 WeakPolarHBondContact CA-OG1 3.41Å; C12-T15 PolarHBondContact O-OG1 3.19Å; C12-S16 VanDerWaalsContact O-CB 3.23Å; C12-S16 WeakPolarHBondContact O-CB 3.33Å; C12-S16 PolarHBondContact O-N 3Å
13I56.3Low64.2Low108 Ų108105.1 Ų105.155%0.55457%0.568SS**Hα-helixtrans-71.1-37.2175.5-64.3165.2000110.8V9 R10 S16 R17V9-I13 HydrophobicContact CG1-CD1 3.77Å; V9-I13 HydrophobicContact CG1-CG1 4.45Å; V9-I13 VanDerWaalsContact O-CG1 3.26Å; V9-I13 WeakPolarHBondContact O-CG1 3.3Å; V9-I13 PolarHBondContact O-N 2.98Å; R10-I13 PolarHBondContact O-N 3.21Å; I13-S16 WeakPolarHBondContact O-CB 3.34Å; I13-S16 PolarHBondContact O-N 3.38Å; I13-R17 PolarHBondContact O-N 3.41Å
14L54.8Low65.8Low111 Ų111104 Ų10458%0.58156%0.559SS**Hα-helixtrans-64.3-50.5176-153.386.8000110R10 Q11 S16 R17 W18R10-L14 WeakPolarHBondContact O-CB 3.3Å; R10-L14 PolarHBondContact O-N 3.35Å; Q11-L14 PolarHBondContact O-N 3.25Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.21Å; L14-R17 PolarHBondContact O-N 3.16Å; L14-R17 VanDerWaalsContact O-N 3.08Å; L14-W18 PolarHBondContact O-N 3.1Å
15T58.8Low67.3Low75 Ų75106.5 Ų106.546%0.4656%0.56SS.*Hα-helixtrans-63-34.6176.556.90000112Q11 C12 R17 W18 L19Q11-T15 WeakPolarHBondContact O-CG2 3.45Å; Q11-T15 PolarHBondContact O-N 3.18Å; Q11-T15 PolarHBondContact O-OG1 3.32Å; Q11-T15 VanDerWaalsContact O-OG1 3.11Å; C12-T15 WeakPolarHBondContact CA-OG1 3.41Å; C12-T15 PolarHBondContact O-OG1 3.19Å; T15-R17 PolarHBondContact O-N 3.17Å; T15-W18 PolarHBondContact O-N 2.93Å; T15-L19 VanDerWaalsContact O-CB 3.28Å; T15-L19 WeakPolarHBondContact O-CB 3.46Å; T15-L19 WeakPolarHBondContact O-CG 3.26Å; T15-L19 PolarHBondContact O-N 3.09Å
16S61.3Low68.7Low73 Ų73103.1 Ų103.151%0.5156%0.555SS.*Hα-helixtrans-58.9-28.3173.6-175.70000113.7C12 I13 L14 P20C12-S16 VanDerWaalsContact O-CB 3.23Å; C12-S16 WeakPolarHBondContact O-CB 3.33Å; C12-S16 PolarHBondContact O-N 3Å; I13-S16 WeakPolarHBondContact O-CB 3.34Å; I13-S16 PolarHBondContact O-N 3.38Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.21Å; S16-P20 WeakPolarHBondContact O-CD 3.43Å
17R66.4Low70.1Confident203 Ų203103.4 Ų103.477%0.76656%0.557SS**Hα-helixtrans-84.7-27.5-179.5-143.7162.480.4163.35.4112.9I13 L14 T15I13-R17 PolarHBondContact O-N 3.41Å; L14-R17 PolarHBondContact O-N 3.16Å; L14-R17 VanDerWaalsContact O-N 3.08Å; T15-R17 PolarHBondContact O-N 3.17Å
18W70.5Confident71.5Confident171 Ų171106.2 Ų106.265%0.64856%0.563SS**Hα-helixtrans-92.8-20176.2-62.397.2000113.1L14 T15 A21 A22L14-W18 PolarHBondContact O-N 3.1Å; T15-W18 PolarHBondContact O-N 2.93Å; W18-A21 PolarHBondContact O-N 3.25Å; W18-A22 VanDerWaalsContact O-CB 3.31Å; W18-A22 WeakPolarHBondContact O-CB 3.35Å; W18-A22 PolarHBondContact O-N 3.03Å
19L78.9Confident72.7Confident96 Ų96108.7 Ų108.750%0.50357%0.567SS.*Hα-helixtrans-52-50.4173.8-90.9166.5000113.3T15 A21 A22 L23T15-L19 VanDerWaalsContact O-CB 3.28Å; T15-L19 WeakPolarHBondContact O-CB 3.46Å; T15-L19 WeakPolarHBondContact O-CG 3.26Å; T15-L19 PolarHBondContact O-N 3.09Å; L19-A21 PolarHBondContact O-N 3.19Å; L19-A22 PolarHBondContact O-N 3.4Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 PolarHBondContact O-N 3.45Å
20P80.6Confident73.5Confident70 Ų70107.5 Ų107.546%0.45556%0.563SS.*Hα-helixtrans-66.5-38.6178.425.2-34.1000111.9S16 L23 T24S16-P20 WeakPolarHBondContact O-CD 3.43Å; P20-L23 PolarHBondContact O-N 2.81Å; P20-T24 VanDerWaalsContact O-CG2 3.3Å; P20-T24 WeakPolarHBondContact O-CG2 3.26Å; P20-T24 PolarHBondContact O-N 3.18Å; P20-T24 PolarHBondContact O-OG1 2.94Å; P20-T24 VanDerWaalsContact O-OG1 3.13Å
21A86.1Confident74.2Confident48 Ų48100.4 Ų100.440%0.39755%0.546SS..Hα-helixtrans-66.3-37.5177.300000112.4W18 L19 T24 L25W18-A21 PolarHBondContact O-N 3.25Å; L19-A21 PolarHBondContact O-N 3.19Å; A21-T24 WeakPolarHBondContact CA-OG1 3.38Å; A21-T24 PolarHBondContact O-OG1 3.44Å; A21-L25 VanDerWaalsContact O-CB 3.3Å; A21-L25 WeakPolarHBondContact O-CB 3.36Å; A21-L25 PolarHBondContact O-N 3.47Å
22A86.6Confident74.9Confident58 Ų5897.4 Ų97.448%0.47954%0.54SS..Hα-helixtrans-69-41.8174.500000111.4W18 L19 L25 L26W18-A22 VanDerWaalsContact O-CB 3.31Å; W18-A22 WeakPolarHBondContact O-CB 3.35Å; W18-A22 PolarHBondContact O-N 3.03Å; L19-A22 PolarHBondContact O-N 3.4Å; A22-L25 PolarHBondContact O-N 3Å; A22-L26 VanDerWaalsContact O-CB 3.29Å; A22-L26 WeakPolarHBondContact O-CB 3.37Å; A22-L26 PolarHBondContact O-N 3.06Å
23L85.1Confident75.2Confident108 Ų108100.3 Ų100.357%0.56554%0.544SS*.Hα-helixtrans-63.1-43.6174.9-87.3156.3000112.1L19 P20 L26 L27L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 PolarHBondContact O-N 3.45Å; P20-L23 PolarHBondContact O-N 2.81Å; L23-L26 PolarHBondContact O-N 3.37Å; L23-L27 VanDerWaalsContact O-CB 3.31Å; L23-L27 WeakPolarHBondContact O-CB 3.35Å; L23-L27 PolarHBondContact O-N 3.23Å
24T87.3Confident75.2Confident92 Ų9298.9 Ų98.956%0.56454%0.543SS*.Hα-helixtrans-67.4-39.5177.555.10000111.7P20 A21 L27 L28P20-T24 VanDerWaalsContact O-CG2 3.3Å; P20-T24 WeakPolarHBondContact O-CG2 3.26Å; P20-T24 PolarHBondContact O-N 3.18Å; P20-T24 PolarHBondContact O-OG1 2.94Å; P20-T24 VanDerWaalsContact O-OG1 3.13Å; A21-T24 WeakPolarHBondContact CA-OG1 3.38Å; A21-T24 PolarHBondContact O-OG1 3.44Å; T24-L27 PolarHBondContact O-N 2.92Å; T24-L28 WeakPolarHBondContact O-CB 3.33Å; T24-L28 PolarHBondContact O-N 3.48Å
25L88.8Confident75Confident104 Ų104103.6 Ų103.655%0.54555%0.553SS.*Hα-helixtrans-63.8-45.2174.8-174.665.8000111.6A21 A22 L27 L28 L29A21-L25 VanDerWaalsContact O-CB 3.3Å; A21-L25 WeakPolarHBondContact O-CB 3.36Å; A21-L25 PolarHBondContact O-N 3.47Å; A22-L25 PolarHBondContact O-N 3Å; L25-L27 PolarHBondContact O-N 3.47Å; L25-L28 PolarHBondContact O-N 3.26Å; L25-L29 HydrophobicContact CG-CD1 4.02Å; L25-L29 WeakPolarHBondContact O-CB 3.17Å; L25-L29 WeakPolarHBondContact O-CD1 3.36Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 3.4Å
26L86.1Confident74.5Confident118 Ų118103.4 Ų103.462%0.61856%0.559SS**Hα-helixtrans-60.8-43.9175.8-174.773.8000111.6A22 L23 L29 S30A22-L26 VanDerWaalsContact O-CB 3.29Å; A22-L26 WeakPolarHBondContact O-CB 3.37Å; A22-L26 PolarHBondContact O-N 3.06Å; L23-L26 PolarHBondContact O-N 3.37Å; L26-L29 PolarHBondContact O-N 3.3Å; L26-S30 PolarHBondContact O-N 2.91Å; L26-S30 PolarHBondContact O-OG 2.96Å
27L85.1Confident73.9Confident122 Ų122105.5 Ų105.564%0.63956%0.561SS**Hα-helixtrans-62.5-45176.7-170.872.7000110.8L23 T24 L25 L29 S30 A31L23-L27 VanDerWaalsContact O-CB 3.31Å; L23-L27 WeakPolarHBondContact O-CB 3.35Å; L23-L27 PolarHBondContact O-N 3.23Å; T24-L27 PolarHBondContact O-N 2.92Å; L25-L27 PolarHBondContact O-N 3.47Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.94Å; L27-S30 WeakPolarHBondContact CA-OG 3.23Å; L27-S30 PolarHBondContact O-N 3.34Å; L27-S30 PolarHBondContact O-OG 3.46Å; L27-A31 WeakPolarHBondContact O-CB 3.34Å; L27-A31 PolarHBondContact O-N 3.21Å
28L85.6Confident72.8Confident117 Ų117100.6 Ų100.661%0.61356%0.558SS**Hα-helixtrans-63.6-39.7178.6-165.572000112T24 L25 S32T24-L28 WeakPolarHBondContact O-CB 3.33Å; T24-L28 PolarHBondContact O-N 3.48Å; L25-L28 PolarHBondContact O-N 3.26Å; L28-S32 WeakPolarHBondContact O-CB 3.33Å; L28-S32 PolarHBondContact O-N 2.89Å; L28-S32 PolarHBondContact O-OG 2.99Å
29L82.6Confident71.8Confident111 Ų11198.5 Ų98.558%0.58156%0.564SS**Hα-helixtrans-61.5-46.9172.6-79.4156.8000111.4L25 L26 L27 A31 S32 F33L25-L29 HydrophobicContact CG-CD1 4.02Å; L25-L29 WeakPolarHBondContact O-CB 3.17Å; L25-L29 WeakPolarHBondContact O-CD1 3.36Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 3.3Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.94Å; L29-A31 PolarHBondContact O-N 2.92Å; L29-S32 PolarHBondContact O-N 3.43Å; L29-F33 PolarHBondContact O-N 3.37Å
30S75.8Confident70.4Confident59 Ų5997 Ų9741%0.41356%0.559SS.*Hα-helixtrans-65.1-38.3178.369.60000113.7L26 L27 S32 F33 S34L26-S30 PolarHBondContact O-N 2.91Å; L26-S30 PolarHBondContact O-OG 2.96Å; L27-S30 WeakPolarHBondContact CA-OG 3.23Å; L27-S30 PolarHBondContact O-N 3.34Å; L27-S30 PolarHBondContact O-OG 3.46Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S30-F33 PolarHBondContact O-N 3.4Å; S30-S34 WeakPolarHBondContact O-CB 3.12Å; S30-S34 PolarHBondContact O-N 2.8Å; S30-S34 PolarHBondContact O-OG 3.21Å
31A70.9Confident68.8Low47 Ų4798.4 Ų98.439%0.38857%0.566SS.*Hα-helixtrans-70.7-33.8178.400000111.6L27 L29 R35L27-A31 WeakPolarHBondContact O-CB 3.34Å; L27-A31 PolarHBondContact O-N 3.21Å; L29-A31 PolarHBondContact O-N 2.92Å; A31-R35 PolarHBondContact O-N 2.91Å; A31-R35 VanDerWaalsContact O-N 3.14Å
32S70.8Confident67Low73 Ų73103 Ų10351%0.5158%0.579SS.*Hα-helixtrans-69.5-39.8175-57.30000111.5L28 L29 S30 R35 A36L28-S32 WeakPolarHBondContact O-CB 3.33Å; L28-S32 PolarHBondContact O-N 2.89Å; L28-S32 PolarHBondContact O-OG 2.99Å; L29-S32 PolarHBondContact O-N 3.43Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S32-R35 PolarHBondContact O-N 2.97Å; S32-A36 PolarHBondContact O-N 3.37Å
33F60.9Low65.2Low143 Ų143107.9 Ų107.963%0.62759%0.592SS**Hα-helixtrans-67.3-37.7174.8-149.9-97.1000112L29 S30 R35 A36 Q37L29-F33 PolarHBondContact O-N 3.37Å; S30-F33 PolarHBondContact O-N 3.4Å; F33-R35 VanDerWaalsContact C-N 3.27Å; F33-R35 PolarHBondContact O-N 2.9Å; F33-A36 PolarHBondContact O-N 3.01Å; F33-Q37 PolarHBondContact O-N 3.11Å
34S55.7Low64Low78 Ų78108.1 Ų108.155%0.54559%0.594SS.*Hα-helixtrans-65.4-26.9173.7-62.80000113.3S30 S38S30-S34 WeakPolarHBondContact O-CB 3.12Å; S30-S34 PolarHBondContact O-N 2.8Å; S30-S34 PolarHBondContact O-OG 3.21Å; S34-S38 PolarHBondContact O-N 3.22Å
35R51.3Low62.3Low209 Ų209111.9 Ų111.979%0.78960%0.603SS**Hα-helixtrans-74.7-25.8175.2-80.2-173.1-176.8179.72.3113.5A31 S32 F33A31-R35 PolarHBondContact O-N 2.91Å; A31-R35 VanDerWaalsContact O-N 3.14Å; S32-R35 PolarHBondContact O-N 2.97Å; F33-R35 VanDerWaalsContact C-N 3.27Å; F33-R35 PolarHBondContact O-N 2.9Å
36A48.9Very low60.6Low71 Ų71115 Ų11559%0.58761%0.614SS**Hα-helixtrans-79.1-21.317600000113S32 F33S32-A36 PolarHBondContact O-N 3.37Å; F33-A36 PolarHBondContact O-N 3.01Å
37Q47.8Very low58.9Low117 Ų117115.8 Ų115.855%0.54762%0.617SS.*Hα-helixtrans-93.9-7.7175.1-89.8163.8-7.400114F33 T39 T40F33-Q37 PolarHBondContact O-N 3.11Å; Q37-T39 PolarHBondContact O-N 2.95Å; Q37-T40 PolarHBondContact O-N 3.49Å
38S42.7Very low57.1Low100 Ų100115.2 Ų115.270%0.69962%0.619SS**THydrogen-bonded Turntrans-8112.7177.9-162.10000114.3S34S34-S38 PolarHBondContact O-N 3.22Å
39T50.8Low55.4Low128 Ų128116.4 Ų116.479%0.78562%0.621SS**THydrogen-bonded Turntrans-118.56.4167.262.60000112.9Q37Q37-T39 PolarHBondContact O-N 2.95Å
40T49.2Very low53.9Low65 Ų65116.6 Ų116.640%0.39962%0.622SS.*  trans-147.260.9-179.6-175.60000109.4Q37 E42Q37-T40 PolarHBondContact O-N 3.49Å; T40-E42 PolarHBondContact O-N 3.28Å; T40-E42 VanDerWaalsContact O-N 3.15Å; T40-E42 VanDerWaalsContact OG1-CG 3.27Å; T40-E42 WeakPolarHBondContact OG1-CG 3.47Å; T40-E42 PolarHBondContact OG1-OE1 3.01Å
41V46.7Very low52.7Low99 Ų99119.1 Ų119.160%0.664%0.635SS**  trans-77.183.2141.5-172.90000104.9H43V41-H43 WeakPolarHBondContact CG1-CD2 3.4Å; V41-H43 VanDerWaalsContact CG1-CE1 3.41Å; V41-H43 WeakPolarHBondContact CG1-CE1 3.36Å; V41-H43 WeakPolarHBondContact CG1-NE2 3.49Å; V41-H43 PolarHBondContact O-N 2.88Å
42E48.9Very low51.8Low144 Ų144123.9 Ų123.967%0.67365%0.654SS**  trans-56.289.9151.7-54-58.7125.100105.1T40 D44T40-E42 PolarHBondContact O-N 3.28Å; T40-E42 VanDerWaalsContact O-N 3.15Å; T40-E42 VanDerWaalsContact OG1-CG 3.27Å; T40-E42 WeakPolarHBondContact OG1-CG 3.47Å; T40-E42 PolarHBondContact OG1-OE1 3.01Å; E42-D44 PolarHBondContact O-N 3.41Å
43H48.5Very low50.9Low160 Ų160126.5 Ų126.574%0.74166%0.662SS**  trans-7358.3158-77.6-62.7000107.6V41 F45V41-H43 WeakPolarHBondContact CG1-CD2 3.4Å; V41-H43 VanDerWaalsContact CG1-CE1 3.41Å; V41-H43 WeakPolarHBondContact CG1-CE1 3.36Å; V41-H43 WeakPolarHBondContact CG1-NE2 3.49Å; V41-H43 PolarHBondContact O-N 2.88Å; H43-F45 PolarHBondContact O-N 3Å
44D60.2Low50.7Low114 Ų114127.6 Ų127.661%0.6166%0.662SS**  trans-76.8106.1159.8-163.612.6000105.7E42E42-D44 PolarHBondContact O-N 3.41Å
45F52.1Low50.6Low170 Ų170127.3 Ų127.375%0.74666%0.66SS**SBendtrans167.592.8139.3-77.5-56.7000106.8H43 I47H43-F45 PolarHBondContact O-N 3Å; F45-I47 PolarHBondContact O-N 3.43Å
46H51.3Low51Low169 Ų169124.1 Ų124.178%0.78267%0.667SS**  trans68.723.7156.5-77.1-90.4000120V48H46-V48 PolarHBondContact O-N 3.45Å
47I50.4Low51.6Low135 Ų135128.8 Ų128.869%0.69268%0.677SS**  trans-82.175150.7-54.1177.8000106.6F45 H49F45-I47 PolarHBondContact O-N 3.43Å; I47-H49 PolarHBondContact O-N 2.87Å
48V47.6Very low52.4Low110 Ų110126.3 Ų126.367%0.66767%0.666SS**  trans-42.9116.4153.7169.80000105.1H46 N50H46-V48 PolarHBondContact O-N 3.45Å; V48-N50 PolarHBondContact O-N 3.44Å
49H50.8Low53.7Low142 Ų142125.4 Ų125.466%0.65765%0.654SS**  trans-57.585.5167.2-67.3-75.2000107.2I47 V51 D52I47-H49 PolarHBondContact O-N 2.87Å; H49-V51 HydrophobicContact CB-CB 4.32Å; H49-V51 HydrophobicContact CB-CG2 4.28Å; H49-V51 PolarHBondContact O-N 3.19Å; H49-D52 PolarHBondContact O-N 2.9Å
50N50.1Low54.3Low115 Ų115124.5 Ų124.562%0.61565%0.65SS**THydrogen-bonded Turntrans-71.937.1158.3-171.671.4000109.2V48 D52 N53V48-N50 PolarHBondContact O-N 3.44Å; N50-D52 VanDerWaalsContact C-N 3.27Å; N50-N53 WeakPolarHBondContact OD1-CB 3.25Å
51V51Low55Low113 Ų113128.4 Ų128.469%0.68566%0.662SS**THydrogen-bonded Turntrans-83.6-12.5163.2-1790000108.9H49H49-V51 HydrophobicContact CB-CB 4.32Å; H49-V51 HydrophobicContact CB-CG2 4.28Å; H49-V51 PolarHBondContact O-N 3.19Å
52D52.1Low56.1Low146 Ų146130.3 Ų130.378%0.78166%0.658SS**SBendtrans-93.5-2.1175.6-72.6-46.9000115H49 N50 R54H49-D52 PolarHBondContact O-N 2.9Å; N50-D52 VanDerWaalsContact C-N 3.27Å; D52-R54 VanDerWaalsContact C-N 3.29Å; D52-R54 PolarHBondContact O-N 3.37Å
53N51.6Low56.9Low128 Ų128126.6 Ų126.668%0.68464%0.638SS**SBendtrans-95.418.4176.4-146.232.7000113.3N50N50-N53 WeakPolarHBondContact OD1-CB 3.25Å
54R57Low57.8Low166 Ų166124.1 Ų124.163%0.62664%0.635SS**SBendtrans-102.9105.8156.9-71.7-175.4-177.9147.41.9105.9D52 P56 I58D52-R54 VanDerWaalsContact C-N 3.29Å; D52-R54 PolarHBondContact O-N 3.37Å; R54-P56 VanDerWaalsContact O-N 3.13Å; R54-I58 HydrophobicContact CB-CD1 3.82Å; R54-I58 HydrophobicContact CG-CD1 3.84Å
55S54.4Low58.1Low72 Ų72122.4 Ų122.450%0.50364%0.644SS.*  trans-43.4125.9157.6-174.40000107.1E57 I58S55-E57 PolarHBondContact O-N 3.49Å; S55-I58 WeakPolarHBondContact O-CG1 3.5Å; S55-I58 PolarHBondContact O-N 3.39Å; S55-I58 VanDerWaalsContact O-N 3.12Å
56P58.3Low58.8Low142 Ų142121.6 Ų121.692%0.92264%0.636SS**THydrogen-bonded Turntrans-61.9-1.1-177.424.7-33.1000113R54R54-P56 VanDerWaalsContact O-N 3.13Å
57E62Low59.5Low170 Ų170117 Ų11779%0.79463%0.634SS**THydrogen-bonded Turntrans-106.514.7-178.4-152.3178.8-165.800113.5S55 D59S55-E57 PolarHBondContact O-N 3.49Å; E57-D59 PolarHBondContact O-N 2.8Å
58I64.4Low60.2Low64 Ų64114.4 Ų114.433%0.32862%0.624SS.*  trans-65.6112.1174.6-69.8167.8000109.1R54 S55 W62R54-I58 HydrophobicContact CB-CD1 3.82Å; R54-I58 HydrophobicContact CG-CD1 3.84Å; S55-I58 WeakPolarHBondContact O-CG1 3.5Å; S55-I58 PolarHBondContact O-N 3.39Å; S55-I58 VanDerWaalsContact O-N 3.12Å; I58-W62 HydrophobicContact CG2-CB 3.81Å; I58-W62 HydrophobicContact CG2-CG 3.9Å
59D70.7Confident61.1Low81 Ų81118.8 Ų118.843%0.43363%0.629SS.*  trans-47.9126.7174.5-177.6-10.2000110.8E57 F61 W62E57-D59 PolarHBondContact O-N 2.8Å; D59-F61 PolarHBondContact O-N 3.23Å; D59-F61 WeakPolarHBondContact OD1-CB 3.49Å; D59-F61 VanDerWaalsContact OD1-CD2 3.27Å; D59-F61 WeakPolarHBondContact OD1-CD2 3.34Å; D59-F61 PolarHBondContact OD1-N 3.44Å; D59-W62 WeakPolarHBondContact O-CB 3.31Å; D59-W62 PolarHBondContact O-N 3.08Å
60P62.1Low61.9Low109 Ų109115.8 Ų115.871%0.70862%0.622SS**G310 helixtrans-49.7-28172.2-27.734.8000114.2W62P60-W62 VanDerWaalsContact C-N 3.34Å
61F65.4Low62.6Low147 Ų147118.1 Ų118.165%0.64563%0.633SS**G310 helixtrans-83.8-2.6177.9-61.3-72.1000114.6D59 Y63 V64D59-F61 PolarHBondContact O-N 3.23Å; D59-F61 WeakPolarHBondContact OD1-CB 3.49Å; D59-F61 VanDerWaalsContact OD1-CD2 3.27Å; D59-F61 WeakPolarHBondContact OD1-CD2 3.34Å; D59-F61 PolarHBondContact OD1-N 3.44Å; F61-Y63 PolarHBondContact O-N 3.13Å; F61-V64 HydrophobicContact CB-CG2 4.44Å; F61-V64 HydrophobicContact CD1-CG2 4.02Å; F61-V64 WeakPolarHBondContact O-CB 3.35Å; F61-V64 PolarHBondContact O-N 3.03Å
62W69.1Low63.5Low139 Ų139116.1 Ų116.153%0.52764%0.635SS.*G310 helixtrans-53.7-25.8178.8-176-102.3000114.1I58 D59 P60 R66I58-W62 HydrophobicContact CG2-CB 3.81Å; I58-W62 HydrophobicContact CG2-CG 3.9Å; D59-W62 WeakPolarHBondContact O-CB 3.31Å; D59-W62 PolarHBondContact O-N 3.08Å; P60-W62 VanDerWaalsContact C-N 3.34Å; W62-R66 VanDerWaalsContact CE2-NH1 3.28Å
63Y65.9Low64.2Low66 Ų66119.6 Ų119.626%0.25964%0.637SS.*G310 helixtrans-85.8-22.6177.7-64.8-77.7000114.1F61 V68 P70F61-Y63 PolarHBondContact O-N 3.13Å; Y63-V68 WeakPolarHBondContact CB-O 3.3Å; Y63-P70 HydrophobicContact CG-CG 4.49Å
64V66.8Low64.5Low109 Ų109122.9 Ų122.966%0.66165%0.645SS**G310 helixtrans-74.9-36.5-169.4-1780000111.6F61 R66F61-V64 HydrophobicContact CB-CG2 4.44Å; F61-V64 HydrophobicContact CD1-CG2 4.02Å; F61-V64 WeakPolarHBondContact O-CB 3.35Å; F61-V64 PolarHBondContact O-N 3.03Å; V64-R66 PolarHBondContact O-N 3.41Å
65G65.9Low64.8Low78 Ų78117.4 Ų117.480%0.80464%0.641SS**G310 helixtrans-81.3-8.3179.300000115.6
66R68.1Low65.1Low152 Ų152122.7 Ų122.757%0.57466%0.655SS**G310 helixtrans-115.21.7-174.1-66.4-167.9176.591.1-2.9114.4W62 V64 V68W62-R66 VanDerWaalsContact CE2-NH1 3.28Å; V64-R66 PolarHBondContact O-N 3.41Å; R66-V68 HydrophobicContact CB-CG2 4.42Å; R66-V68 PolarHBondContact O-N 3.03Å
67G65.4Low65.4Low73 Ų73127.4 Ų127.475%0.75365%0.654SS**THydrogen-bonded Turntrans64.75.6179.600000114.8
68V65.8Low65.1Low80 Ų80125.7 Ų125.749%0.48565%0.646SS.*  trans-89.3113.9178.4-1800000107.9Y63 R66Y63-V68 WeakPolarHBondContact CB-O 3.3Å; R66-V68 HydrophobicContact CB-CG2 4.42Å; R66-V68 PolarHBondContact O-N 3.03Å
69R66.8Low64.7Low203 Ų203127.1 Ų127.177%0.76666%0.661SS**  trans-71.1143.3171.5-63.7-174.8179.9107.90.4109.2I71R69-I71 PolarHBondContact O-N 3Å
70P66.4Low63.9Low78 Ų78130.8 Ų130.851%0.50668%0.681SS.*  trans-54.7117.6174.2-4.35.4000109.6Y63 G72Y63-P70 HydrophobicContact CG-CG 4.49Å; P70-G72 PolarHBondContact O-N 3.5Å
71I66.1Low63.4Low165 Ų165131.8 Ų131.885%0.84668%0.678SS**SBendtrans-71.2112.5172.8-59.8-176.6000106.2R69R69-I71 PolarHBondContact O-N 3Å
72G68.6Low62.6Low70 Ų70130 Ų13072%0.72268%0.675SS**SBendtrans99.360.3179.500000114.6P70P70-G72 PolarHBondContact O-N 3.5Å
73R66.4Low61.7Low220 Ų220128.2 Ų128.283%0.8369%0.69SS**  trans-159.556.5134.5-158.6175.1-179.3-91.34.4110.2G75R73-G75 PolarHBondContact O-N 3.46Å
74F58.6Low61.1Low196 Ų196132.7 Ų132.786%0.8672%0.718SS**  trans-64.5119.2159-92.1-83.2000106.8K76F74-K76 PolarHBondContact O-N 3.35Å
75G63.9Low60.3Low52 Ų52131.3 Ų131.354%0.53673%0.725SS.*  trans-43.5128.9-167.500000112.6R73 R77R73-G75 PolarHBondContact O-N 3.46Å; G75-R77 PolarHBondContact O-N 2.98Å
76K60.5Low60Low182 Ų182131.4 Ų131.479%0.79171%0.708SS**  trans-53.2109.9159.8-85.4-166.9167.4-176.50106.2F74 H78F74-K76 PolarHBondContact O-N 3.35Å; K76-H78 VanDerWaalsContact C-N 3.28Å; K76-H78 VanDerWaalsContact CB-CD2 3.41Å; K76-H78 WeakPolarHBondContact CB-CD2 3.38Å; K76-H78 WeakPolarHBondContact CB-NE2 3.47Å; K76-H78 PolarHBondContact O-CD2 3.35Å; K76-H78 VanDerWaalsContact O-CD2 3.23Å; K76-H78 PolarHBondContact O-N 2.74Å
77R63.3Low59.5Low241 Ų241127.5 Ų127.591%0.90970%0.703SS**  trans-73.293.7169.3-65.7-176.3-179-166.50.1105.7G75 S79G75-R77 PolarHBondContact O-N 2.98Å; R77-S79 PolarHBondContact O-N 2.99Å
78H56.2Low59.2Low135 Ų135127 Ų12763%0.62570%0.699SS**  trans-73.491.2164-49176.9000103K76 N80K76-H78 VanDerWaalsContact C-N 3.28Å; K76-H78 VanDerWaalsContact CB-CD2 3.41Å; K76-H78 WeakPolarHBondContact CB-CD2 3.38Å; K76-H78 WeakPolarHBondContact CB-NE2 3.47Å; K76-H78 PolarHBondContact O-CD2 3.35Å; K76-H78 VanDerWaalsContact O-CD2 3.23Å; K76-H78 PolarHBondContact O-N 2.74Å; H78-N80 VanDerWaalsContact C-N 3.26Å; H78-N80 PolarHBondContact O-N 2.93Å
79S57.4Low59.1Low93 Ų93128.1 Ų128.165%0.6570%0.7SS**  trans-62.4104159.149.10000104.6R77 M81R77-S79 PolarHBondContact O-N 2.99Å; S79-M81 PolarHBondContact O-N 3.23Å
80N53.3Low59.3Low159 Ų159122.1 Ų122.185%0.8568%0.68SS**SBendtrans-6180.3174.8-77.2-25.7000108.9H78H78-N80 VanDerWaalsContact C-N 3.26Å; H78-N80 PolarHBondContact O-N 2.93Å
81M52.3Low59.7Low129 Ų129122.2 Ų122.264%0.63568%0.681SS**  trans-147.921.3166.5-156.6135.8105.100111.3S79S79-M81 PolarHBondContact O-N 3.23Å
82D48.6Very low60.3Low110 Ų110118.7 Ų118.759%0.58867%0.667SS**  trans-103.372.6167-70.4-43000108.3S87D82-S87 VanDerWaalsContact OD1-CB 3.22Å; D82-S87 WeakPolarHBondContact OD1-CB 3.3Å; D82-S87 PolarHBondContact OD1-OG 3.47Å
83A49.7Very low61Low101 Ų101119.3 Ų119.384%0.83565%0.653SS**SBendtrans-128.34.8162.900000112.9
84L52.9Low61.6Low161 Ų161114.8 Ų114.884%0.84364%0.636SS**SBendtrans-148105.6168.4-154.160.4000109.3N86L84-N86 PolarHBondContact O-N 3.38Å
85G51Low63.1Low80 Ų80109.2 Ų109.283%0.82562%0.619SS**SBendtrans-57.6120.5-159.100000114.9
86N57.9Low64.4Low80 Ų80111.1 Ų111.143%0.42862%0.616SS.*  trans-169.948147.1-152.726000110.9L84 G88 M89L84-N86 PolarHBondContact O-N 3.38Å; N86-G88 VanDerWaalsContact C-N 3.26Å; N86-G88 PolarHBondContact O-N 2.71Å; N86-G88 VanDerWaalsContact O-N 3.14Å; N86-M89 PolarHBondContact ND2-SD 2.91Å; N86-M89 PolarHBondContact O-N 3.3Å
87S57.6Low65.9Low69 Ų69106.6 Ų106.648%0.48360%0.598SS.*THydrogen-bonded Turntrans-65.6-20-162.9-157.10000115D82D82-S87 VanDerWaalsContact OD1-CB 3.22Å; D82-S87 WeakPolarHBondContact OD1-CB 3.3Å; D82-S87 PolarHBondContact OD1-OG 3.47Å
88G59.7Low67.3Low64 Ų64100.9 Ų100.966%0.6658%0.584SS**THydrogen-bonded Turntrans-79-23.7177.500000115.3N86N86-G88 VanDerWaalsContact C-N 3.26Å; N86-G88 PolarHBondContact O-N 2.71Å; N86-G88 VanDerWaalsContact O-N 3.14Å
89M62.8Low69.1Low102 Ų10299.7 Ų99.750%0.50258%0.582SS.*THydrogen-bonded Turntrans-101-17.1-172.9-62.1-179.877.200113.3N86 P91 V92 L93N86-M89 PolarHBondContact ND2-SD 2.91Å; N86-M89 PolarHBondContact O-N 3.3Å; M89-P91 VanDerWaalsContact C-CD 3.5Å; M89-V92 WeakPolarHBondContact O-CB 3.45Å; M89-V92 PolarHBondContact O-N 3.42Å; M89-L93 WeakPolarHBondContact O-CG 3.28Å; M89-L93 PolarHBondContact O-N 2.91Å
90Q72.8Confident70.8Confident77 Ų77100 Ų10036%0.3658%0.576SS.*Hα-helixtrans-50.1-46.5176.8-69.9-67.2-8.300114.2V92 L93 R94Q90-V92 VanDerWaalsContact C-N 3.32Å; Q90-V92 PolarHBondContact O-N 2.9Å; Q90-L93 PolarHBondContact O-N 2.92Å; Q90-R94 VanDerWaalsContact O-CG 3.3Å; Q90-R94 WeakPolarHBondContact O-CG 3.31Å; Q90-R94 PolarHBondContact O-N 3.45Å
91P74.5Confident72.7Confident80 Ų8096.7 Ų96.752%0.51956%0.558SS.*Hα-helixtrans-65.7-34.1177.323.8-32.8000112.8M89 R94 T95M89-P91 VanDerWaalsContact C-CD 3.5Å; P91-R94 PolarHBondContact O-N 3.45Å; P91-T95 WeakPolarHBondContact O-CG2 3.34Å; P91-T95 PolarHBondContact O-N 3.5Å; P91-T95 PolarHBondContact O-OG1 3.01Å
92V77.4Confident74.6Confident91 Ų9194.2 Ų94.255%0.55255%0.554SS**Hα-helixtrans-69.9-40.7177.1-178.80000110.9M89 Q90 T95 L96M89-V92 WeakPolarHBondContact O-CB 3.45Å; M89-V92 PolarHBondContact O-N 3.42Å; Q90-V92 VanDerWaalsContact C-N 3.32Å; Q90-V92 PolarHBondContact O-N 2.9Å; V92-T95 WeakPolarHBondContact CA-OG1 3.3Å; V92-T95 PolarHBondContact O-N 3.45Å; V92-T95 PolarHBondContact O-OG1 3Å; V92-L96 WeakPolarHBondContact O-CB 3.29Å; V92-L96 PolarHBondContact O-N 2.9Å
93L83.1Confident76.6Confident84 Ų8494.1 Ų94.144%0.4455%0.553SS.*Hα-helixtrans-66.2-38.9176.2-65.9177.8000111.7M89 Q90 L96 E97M89-L93 WeakPolarHBondContact O-CG 3.28Å; M89-L93 PolarHBondContact O-N 2.91Å; Q90-L93 PolarHBondContact O-N 2.92Å; L93-L96 PolarHBondContact O-N 3.5Å; L93-E97 VanDerWaalsContact O-CB 3.28Å; L93-E97 WeakPolarHBondContact O-CB 3.49Å; L93-E97 PolarHBondContact O-N 3.24Å
94R79.9Confident78.5Confident124 Ų12497 Ų9747%0.46854%0.542SS..Hα-helixtrans-66.6-41.6176.1-70.6-60.8-176-174.72.8113Q90 P91 E97 L98Q90-R94 VanDerWaalsContact O-CG 3.3Å; Q90-R94 WeakPolarHBondContact O-CG 3.31Å; Q90-R94 PolarHBondContact O-N 3.45Å; P91-R94 PolarHBondContact O-N 3.45Å; R94-E97 WeakPolarHBondContact CD-OE2 3.39Å; R94-E97 IonicContact CZ-OE2 3.7Å; R94-E97 IonicContact NE-OE2 3.97Å; R94-E97 IonicContact NH1-OE1 3.77Å; R94-E97 IonicContact NH1-OE2 2.74Å; R94-E97 PolarHBondContact NH1-OE2 3.35Å; R94-E97 PolarHBondContact O-N 3.03Å; R94-L98 WeakPolarHBondContact O-CB 3Å; R94-L98 VanDerWaalsContact O-CG 3.25Å; R94-L98 WeakPolarHBondContact O-CG 3.42Å; R94-L98 PolarHBondContact O-N 2.87Å
95T89.8Confident80.4Confident80 Ų8097 Ų9749%0.49154%0.535SS..Hα-helixtrans-65.8-40.8176.148.50000111.4P91 V92 L98 L99P91-T95 WeakPolarHBondContact O-CG2 3.34Å; P91-T95 PolarHBondContact O-N 3.5Å; P91-T95 PolarHBondContact O-OG1 3.01Å; V92-T95 WeakPolarHBondContact CA-OG1 3.3Å; V92-T95 PolarHBondContact O-N 3.45Å; V92-T95 PolarHBondContact O-OG1 3Å; T95-L98 PolarHBondContact O-N 2.99Å; T95-L99 WeakPolarHBondContact O-CG 3.41Å; T95-L99 PolarHBondContact O-N 3.01Å
96L91.4Very high82.1Confident91 Ų9199.6 Ų99.648%0.47652%0.524SS..Hα-helixtrans-63.7-43.9174.6-173.166.1000112.2V92 L93 L98 L99 L100V92-L96 WeakPolarHBondContact O-CB 3.29Å; V92-L96 PolarHBondContact O-N 2.9Å; L93-L96 PolarHBondContact O-N 3.5Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 2.87Å; L96-L99 PolarHBondContact O-N 2.98Å; L96-L100 HydrophobicContact CG-CD1 4.19Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 3.27Å
97E92.9Very high83.1Confident88 Ų88100.2 Ų100.241%0.41152%0.524SS..Hα-helixtrans-59.1-44.5176.4-178179.5-164.500111.4L93 R94 L100 N101L93-E97 VanDerWaalsContact O-CB 3.28Å; L93-E97 WeakPolarHBondContact O-CB 3.49Å; L93-E97 PolarHBondContact O-N 3.24Å; R94-E97 WeakPolarHBondContact CD-OE2 3.39Å; R94-E97 IonicContact CZ-OE2 3.7Å; R94-E97 IonicContact NE-OE2 3.97Å; R94-E97 IonicContact NH1-OE1 3.77Å; R94-E97 IonicContact NH1-OE2 2.74Å; R94-E97 PolarHBondContact NH1-OE2 3.35Å; R94-E97 PolarHBondContact O-N 3.03Å; E97-L100 PolarHBondContact O-N 3.2Å; E97-N101 WeakPolarHBondContact O-CB 3.49Å; E97-N101 VanDerWaalsContact O-CG 3.26Å; E97-N101 PolarHBondContact O-N 3.35Å; E97-N101 PolarHBondContact O-ND2 3.22Å
98L92.8Very high84.2Confident120 Ų120101 Ų10163%0.62852%0.523SS*.Hα-helixtrans-64.4-42.3176.5-70.9171.3000112.2R94 T95 L96 N101 S102R94-L98 WeakPolarHBondContact O-CB 3Å; R94-L98 VanDerWaalsContact O-CG 3.25Å; R94-L98 WeakPolarHBondContact O-CG 3.42Å; R94-L98 PolarHBondContact O-N 2.87Å; T95-L98 PolarHBondContact O-N 2.99Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 2.87Å; L98-N101 PolarHBondContact O-N 3.3Å; L98-S102 WeakPolarHBondContact O-CB 3.38Å; L98-S102 PolarHBondContact O-N 2.66Å
99L94.2Very high85Confident110 Ų110103 Ų10358%0.57652%0.518SS*.Hα-helixtrans-63.3-45.9177.2-75.3171.9000111.7T95 L96 N101 S102 L103T95-L99 WeakPolarHBondContact O-CG 3.41Å; T95-L99 PolarHBondContact O-N 3.01Å; L96-L99 PolarHBondContact O-N 2.98Å; L99-N101 PolarHBondContact O-N 2.92Å; L99-S102 WeakPolarHBondContact O-CB 3.25Å; L99-S102 PolarHBondContact O-N 2.83Å; L99-L103 WeakPolarHBondContact O-CG 3.43Å; L99-L103 PolarHBondContact O-N 3.15Å
100L92.9Very high85.7Confident101 Ų101104.1 Ų104.153%0.52952%0.522SS..Hα-helixtrans-63-42.2177.8-71.2175000111.7L96 E97 S102 L103 R104L96-L100 HydrophobicContact CG-CD1 4.19Å; L96-L100 WeakPolarHBondContact O-CB 3.45Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 3.27Å; E97-L100 PolarHBondContact O-N 3.2Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 3.36Å; L100-L103 PolarHBondContact O-N 3.42Å; L100-R104 WeakPolarHBondContact O-CB 3.34Å; L100-R104 PolarHBondContact O-N 3.49Å
101N92.7Very high85.8Confident88 Ų88107.3 Ų107.347%0.47154%0.535SS..Hα-helixtrans-64.3-37.2175.5-75.4-28000112.2E97 L98 L99 K105E97-N101 WeakPolarHBondContact O-CB 3.49Å; E97-N101 VanDerWaalsContact O-CG 3.26Å; E97-N101 PolarHBondContact O-N 3.35Å; E97-N101 PolarHBondContact O-ND2 3.22Å; L98-N101 PolarHBondContact O-N 3.3Å; L99-N101 PolarHBondContact O-N 2.92Å; N101-K105 WeakPolarHBondContact O-CB 3.41Å; N101-K105 PolarHBondContact O-N 2.96Å
102S91.9Very high85.7Confident78 Ų78107.7 Ų107.755%0.54554%0.535SS..Hα-helixtrans-66.7-42175.8-169.50000112.2L98 L99 L100 K105 K106L98-S102 WeakPolarHBondContact O-CB 3.38Å; L98-S102 PolarHBondContact O-N 2.66Å; L99-S102 WeakPolarHBondContact O-CB 3.25Å; L99-S102 PolarHBondContact O-N 2.83Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 3.36Å; S102-K105 PolarHBondContact O-N 3.49Å; S102-K106 PolarHBondContact O-N 2.98Å
103L90.8Very high85.3Confident108 Ų108108.2 Ų108.257%0.56553%0.534SS*.Hα-helixtrans-66.1-43.8176.6-69.6174.4000111.4L99 L100 K105 K106 E107L99-L103 WeakPolarHBondContact O-CG 3.43Å; L99-L103 PolarHBondContact O-N 3.15Å; L100-L103 PolarHBondContact O-N 3.42Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.03Å; L103-K106 WeakPolarHBondContact O-CB 3.41Å; L103-K106 PolarHBondContact O-N 3.17Å; L103-E107 PolarHBondContact O-N 3.34Å
104R90Very high84.4Confident160 Ų160107 Ų10760%0.60453%0.532SS*.Hα-helixtrans-61.8-39.1173.9174.2169.9-67.5-168.84112.5L100 K106 E107 N108L100-R104 WeakPolarHBondContact O-CB 3.34Å; L100-R104 PolarHBondContact O-N 3.49Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-E107 WeakPolarHBondContact CA-OE1 3.37Å; R104-E107 WeakPolarHBondContact CG-OE1 3.27Å; R104-E107 IonicContact NE-OE1 3.97Å; R104-E107 WeakPolarHBondContact O-CG 3.25Å; R104-E107 PolarHBondContact O-N 3.14Å; R104-N108 PolarHBondContact O-N 3.02Å; R104-N108 PolarHBondContact O-ND2 2.73Å
105K91.4Very high83.5Confident161 Ų161103.4 Ų103.470%0.753%0.534SS*.Hα-helixtrans-65-40.5175.8-172.1176.1-179.2-179.40111.2N101 S102 L103 N108 L109N101-K105 WeakPolarHBondContact O-CB 3.41Å; N101-K105 PolarHBondContact O-N 2.96Å; S102-K105 PolarHBondContact O-N 3.49Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.03Å; K105-N108 PolarHBondContact O-N 2.87Å; K105-L109 WeakPolarHBondContact O-CB 3.45Å; K105-L109 PolarHBondContact O-N 2.91Å
106K87.1Confident81.8Confident136 Ų136105.1 Ų105.159%0.59154%0.536SS*.Hα-helixtrans-62.9-44.8176.2-179.8-178.2163.2179.50111.9S102 L103 R104 N108 L109 E110S102-K106 PolarHBondContact O-N 2.98Å; L103-K106 WeakPolarHBondContact O-CB 3.41Å; L103-K106 PolarHBondContact O-N 3.17Å; R104-K106 VanDerWaalsContact C-N 3.32Å; K106-N108 VanDerWaalsContact C-N 3.29Å; K106-N108 PolarHBondContact O-N 3.21Å; K106-L109 PolarHBondContact O-N 3.23Å; K106-E110 WeakPolarHBondContact O-CB 3.22Å; K106-E110 PolarHBondContact O-N 3.14Å
107E80.4Confident80.1Confident93 Ų93106.8 Ų106.844%0.43554%0.542SS..Hα-helixtrans-64.8-34.2-179.992.2-160152.400112.4L103 R104 K111L103-E107 PolarHBondContact O-N 3.34Å; R104-E107 WeakPolarHBondContact CA-OE1 3.37Å; R104-E107 WeakPolarHBondContact CG-OE1 3.27Å; R104-E107 IonicContact NE-OE1 3.97Å; R104-E107 WeakPolarHBondContact O-CG 3.25Å; R104-E107 PolarHBondContact O-N 3.14Å; E107-K111 WeakPolarHBondContact O-CG 3.03Å; E107-K111 PolarHBondContact O-N 2.78Å
108N78.9Confident78.2Confident85 Ų85108.8 Ų108.846%0.45556%0.555SS.*Hα-helixtrans-72.3-38.6175-80.2-81.8000111.3R104 K105 K106 K111 V112R104-N108 PolarHBondContact O-N 3.02Å; R104-N108 PolarHBondContact O-ND2 2.73Å; K105-N108 PolarHBondContact O-N 2.87Å; K106-N108 VanDerWaalsContact C-N 3.29Å; K106-N108 PolarHBondContact O-N 3.21Å; N108-K111 PolarHBondContact O-N 3.5Å; N108-V112 WeakPolarHBondContact O-CG2 3.45Å; N108-V112 PolarHBondContact O-N 3.31Å; N108-V112 VanDerWaalsContact O-N 3.1Å
109L77.4Confident76.5Confident105 Ų105108.3 Ų108.355%0.5556%0.557SS.*Hα-helixtrans-64.5-41.1176.4-171.565.5000111.7K105 K106 V112 I113K105-L109 WeakPolarHBondContact O-CB 3.45Å; K105-L109 PolarHBondContact O-N 2.91Å; K106-L109 PolarHBondContact O-N 3.23Å; L109-V112 PolarHBondContact O-N 2.98Å; L109-I113 HydrophobicContact CD1-CD1 4.44Å; L109-I113 HydrophobicContact CG-CD1 4.02Å; L109-I113 WeakPolarHBondContact O-CD1 3.27Å; L109-I113 VanDerWaalsContact O-CG1 3.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.46Å; L109-I113 PolarHBondContact O-N 2.74Å; L109-I113 VanDerWaalsContact O-N 3.09Å
110E78.2Confident74.9Confident126 Ų126112.8 Ų112.859%0.58957%0.566SS**Hα-helixtrans-62.7-42.1176.5-170.6173.4165.400112K106 V112 I113 S114K106-E110 WeakPolarHBondContact O-CB 3.22Å; K106-E110 PolarHBondContact O-N 3.14Å; E110-V112 PolarHBondContact O-N 2.97Å; E110-I113 PolarHBondContact O-N 2.99Å; E110-S114 PolarHBondContact O-N 2.7Å; E110-S114 PolarHBondContact O-OG 3.3Å
111K73.5Confident72.9Confident145 Ų145115.2 Ų115.263%0.6358%0.579SS**Hα-helixtrans-65-35.8175.1-76.4177.9179.7178.40113.9E107 N108 S114 G115E107-K111 WeakPolarHBondContact O-CG 3.03Å; E107-K111 PolarHBondContact O-N 2.78Å; N108-K111 PolarHBondContact O-N 3.5Å; K111-S114 PolarHBondContact O-OG 3.48Å; K111-G115 PolarHBondContact O-N 2.85Å; K111-G115 VanDerWaalsContact O-N 3.16Å
112V73.2Confident71.3Confident87 Ų87120.4 Ų120.453%0.52762%0.617SS.*Hα-helixtrans-67.4-44176.41710000110N108 L109 E110 G115 E116N108-V112 WeakPolarHBondContact O-CG2 3.45Å; N108-V112 PolarHBondContact O-N 3.31Å; N108-V112 VanDerWaalsContact O-N 3.1Å; L109-V112 PolarHBondContact O-N 2.98Å; E110-V112 PolarHBondContact O-N 2.97Å; V112-G115 PolarHBondContact O-N 3.45Å; V112-E116 PolarHBondContact O-N 2.88Å
113I68.9Low70.3Confident102 Ų102122.5 Ų122.552%0.52362%0.621SS.*Hα-helixtrans-67-42.7-179.6-65.7165.5000111.6L109 E110 G115 E116 E117L109-I113 HydrophobicContact CD1-CD1 4.44Å; L109-I113 HydrophobicContact CG-CD1 4.02Å; L109-I113 WeakPolarHBondContact O-CD1 3.27Å; L109-I113 VanDerWaalsContact O-CG1 3.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.46Å; L109-I113 PolarHBondContact O-N 2.74Å; L109-I113 VanDerWaalsContact O-N 3.09Å; E110-I113 PolarHBondContact O-N 2.99Å; I113-G115 PolarHBondContact O-N 3.26Å; I113-E116 PolarHBondContact O-N 3.02Å; I113-E117 PolarHBondContact O-N 2.83Å
114S63.8Low69.2Low58 Ų58123.3 Ų123.341%0.40662%0.624SS.*Hα-helixtrans-69.3-21176.167.50000113.6E110 K111 N118E110-S114 PolarHBondContact O-N 2.7Å; E110-S114 PolarHBondContact O-OG 3.3Å; K111-S114 PolarHBondContact O-OG 3.48Å; S114-N118 PolarHBondContact O-ND2 3.12Å
115G60.5Low68Low49 Ų49121.2 Ų121.251%0.50563%0.625SS.*Hα-helixtrans-77.6-28.4173.300000113K111 V112 I113K111-G115 PolarHBondContact O-N 2.85Å; K111-G115 VanDerWaalsContact O-N 3.16Å; V112-G115 PolarHBondContact O-N 3.45Å; I113-G115 PolarHBondContact O-N 3.26Å
116E55.5Low66.7Low116 Ų116118.9 Ų118.954%0.54262%0.62SS.*Hα-helixtrans-92.7-18.4-173.8-160.5161.5178.100113.3V112 I113 N118 V119V112-E116 PolarHBondContact O-N 2.88Å; I113-E116 PolarHBondContact O-N 3.02Å; E116-N118 PolarHBondContact O-N 2.83Å; E116-N118 VanDerWaalsContact O-N 3.13Å; E116-V119 PolarHBondContact O-N 3.01Å
117E54.6Low65.4Low127 Ų127117.8 Ų117.859%0.59362%0.622SS**THydrogen-bonded Turntrans-67.4-9.3177.374-175.6-178.800114.7I113I113-E117 PolarHBondContact O-N 2.83Å
118N54.3Low64.4Low130 Ų130119.5 Ų119.570%0.69564%0.635SS**THydrogen-bonded Turntrans-91.60.7179.2-62.9-67000114.5S114 E116S114-N118 PolarHBondContact O-ND2 3.12Å; E116-N118 PolarHBondContact O-N 2.83Å; E116-N118 VanDerWaalsContact O-N 3.13Å
119V56.6Low63.3Low109 Ų109121.9 Ų121.966%0.66165%0.648SS**SBendtrans-109.8-10.4-172.5-177.80000113.4E116E116-V119 PolarHBondContact O-N 3.01Å
120W59.3Low62.3Low205 Ų205123.2 Ų123.278%0.77766%0.655SS**SBendtrans-121.616.6-171.2-69.2103.9000115.9
121L52.3Low60.9Low151 Ų151123 Ų12379%0.79166%0.661SS**  trans-100.7115.8169-66.3171.4000108.9
122P58.6Low59.8Low197 Ų197121 Ų121100%1.27966%0.664SS**  trans-66.80177.428.8-34.3000113

Retrieved 122 of 122 residues in 168.4 ms (Link to these results)