A0A096MZ68_PAPAN Loading...

Beta-1,4-glucuronyltransferase 1

AlphaFold DB , UniProt , Accession A0A096MZ68, Species PAPAN (Papio anubis, Olive baboon), Gene B4GAT1, Length 415 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
1M52.8Low58.4Low221 Ų221129.5 Ų129.5100%1.08966%0.655SS**  0-6.20-154169.3158.700114.2
2Q53.3Low60Low181 Ų181130.8 Ų130.885%0.84665%0.647SS**  trans-88.5-27.6178-80.6171.1-35.500115.4S4Q2-S4 PolarHBondContact O-N 3.05Å
3M50.5Low61.5Low159 Ų159130.9 Ų130.978%0.78365%0.645SS**Hα-helixtrans-67.8-31.3-179.7-106.1173.671.400114.2Y5M3-Y5 VanDerWaalsContact C-N 3.32Å; M3-Y5 PolarHBondContact O-N 3.44Å
4S53.3Low63.1Low67 Ų67130.5 Ų130.547%0.46965%0.646SS.*Hα-helixtrans-74.5-19.5-176.7-172.20000113.8Q2 R8Q2-S4 PolarHBondContact O-N 3.05Å; S4-R8 WeakPolarHBondContact O-CG 3.45Å
5Y53.8Low64.7Low175 Ų175127.5 Ų127.569%0.68663%0.633SS**Hα-helixtrans-83.6-36.8178.9-108.5-93.9000112.1M3 R8 C9M3-Y5 VanDerWaalsContact C-N 3.32Å; M3-Y5 PolarHBondContact O-N 3.44Å; Y5-R8 PolarHBondContact O-N 3.21Å; Y5-C9 PolarHBondContact O-N 3.15Å
6A56.1Low66.2Low66 Ų66124.6 Ų124.655%0.54562%0.62SS.*Hα-helixtrans-64.9-40.5178.500000112.4C9 A10A6-C9 PolarHBondContact O-N 3.05Å; A6-A10 PolarHBondContact O-N 2.66Å; A6-A10 VanDerWaalsContact O-N 3.1Å
7I58.2Low67.5Low112 Ų112120.8 Ų120.857%0.57461%0.613SS**Hα-helixtrans-67.8-38179.2-60.8169.3000111.3C9 F11I7-C9 VanDerWaalsContact C-N 3.34Å; I7-C9 PolarHBondContact O-N 3.1Å; I7-F11 PolarHBondContact O-N 3.39Å; I7-F11 VanDerWaalsContact O-N 3.08Å
8R58.2Low68.7Low176 Ų176117.1 Ų117.166%0.66460%0.603SS**Hα-helixtrans-66.7-34.9176.5-75-178.9178.6-167.9-0.5112.4S4 Y5 Y12S4-R8 WeakPolarHBondContact O-CG 3.45Å; Y5-R8 PolarHBondContact O-N 3.21Å; R8-Y12 WeakPolarHBondContact O-CB 3.47Å; R8-Y12 PolarHBondContact O-N 3.16Å; R8-Y12 VanDerWaalsContact O-N 3.16Å
9C60Low69.8Low73 Ų73116.5 Ų116.549%0.49360%0.601SS.*Hα-helixtrans-71.9-41.8178.3-154.30000111.8Y5 A6 I7 Y12 Q13Y5-C9 PolarHBondContact O-N 3.15Å; A6-C9 PolarHBondContact O-N 3.05Å; I7-C9 VanDerWaalsContact C-N 3.34Å; I7-C9 PolarHBondContact O-N 3.1Å; C9-Y12 PolarHBondContact O-N 2.91Å; C9-Q13 WeakPolarHBondContact O-CG 3.5Å; C9-Q13 PolarHBondContact O-N 2.76Å
10A70.4Confident70.9Confident51 Ų51117.3 Ų117.342%0.42160%0.603SS.*Hα-helixtrans-63.7-40.5175.500000112.5A6 Q13 L14A6-A10 PolarHBondContact O-N 2.66Å; A6-A10 VanDerWaalsContact O-N 3.1Å; A10-Q13 PolarHBondContact O-N 3.38Å; A10-L14 PolarHBondContact O-N 2.84Å
11F75.9Confident71.9Confident144 Ų144116.8 Ų116.863%0.63260%0.601SS**Hα-helixtrans-65.1-39.5176-172.3-98.1000112.3I7 L14 L15I7-F11 PolarHBondContact O-N 3.39Å; I7-F11 VanDerWaalsContact O-N 3.08Å; F11-L14 PolarHBondContact O-N 2.86Å; F11-L15 WeakPolarHBondContact O-CB 3.39Å; F11-L15 PolarHBondContact O-N 3.29Å
12Y78Confident73.8Confident144 Ų144109.8 Ų109.857%0.56557%0.571SS**Hα-helixtrans-66.4-38.9177.2-170.6-103.4000112.4R8 C9 L15 L16R8-Y12 WeakPolarHBondContact O-CB 3.47Å; R8-Y12 PolarHBondContact O-N 3.16Å; R8-Y12 VanDerWaalsContact O-N 3.16Å; C9-Y12 PolarHBondContact O-N 2.91Å; Y12-L15 PolarHBondContact O-N 3.14Å; Y12-L16 HydrophobicContact CD1-CD1 3.65Å; Y12-L16 HydrophobicContact CE1-CD1 3.3Å; Y12-L16 HydrophobicContact CE1-CG 4.23Å; Y12-L16 WeakPolarHBondContact O-CB 3.44Å; Y12-L16 PolarHBondContact O-N 2.87Å
13Q79.5Confident75.4Confident133 Ų133103.2 Ų103.262%0.62155%0.547SS*.Hα-helixtrans-66-39.8174.4-73.3-174.2-19.600112.5C9 A10 L16 A17C9-Q13 WeakPolarHBondContact O-CG 3.5Å; C9-Q13 PolarHBondContact O-N 2.76Å; A10-Q13 PolarHBondContact O-N 3.38Å; Q13-L16 PolarHBondContact O-N 3.26Å; Q13-A17 WeakPolarHBondContact O-CB 3.38Å; Q13-A17 PolarHBondContact O-N 2.79Å
14L84Confident77.3Confident125 Ų125102.2 Ų102.265%0.65454%0.542SS*.Hα-helixtrans-64.3-41.2174.2-106.7148.8000112.2A10 F11 A17 A18A10-L14 PolarHBondContact O-N 2.84Å; F11-L14 PolarHBondContact O-N 2.86Å; L14-A17 PolarHBondContact O-N 2.67Å; L14-A18 WeakPolarHBondContact O-CB 3.49Å; L14-A18 PolarHBondContact O-N 3.11Å
15L86.8Confident79.1Confident85 Ų85104 Ų10445%0.44555%0.546SS..Hα-helixtrans-63.9-43.8176.4-167.881.7000111.5F11 Y12 A18 L19F11-L15 WeakPolarHBondContact O-CB 3.39Å; F11-L15 PolarHBondContact O-N 3.29Å; Y12-L15 PolarHBondContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 3.05Å; L15-L19 HydrophobicContact CG-CD1 4.33Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.1Å
16L88.1Confident80.5Confident81 Ų81101.4 Ų101.442%0.42454%0.54SS..Hα-helixtrans-62.9-42.8175.7-88164.2000112.2Y12 Q13 L19 M20Y12-L16 HydrophobicContact CD1-CD1 3.65Å; Y12-L16 HydrophobicContact CE1-CD1 3.3Å; Y12-L16 HydrophobicContact CE1-CG 4.23Å; Y12-L16 WeakPolarHBondContact O-CB 3.44Å; Y12-L16 PolarHBondContact O-N 2.87Å; Q13-L16 PolarHBondContact O-N 3.26Å; L16-L19 PolarHBondContact O-N 2.63Å; L16-M20 WeakPolarHBondContact O-CB 3.48Å; L16-M20 WeakPolarHBondContact O-CG 3.43Å; L16-M20 PolarHBondContact O-N 3.26Å
17A88.4Confident81.6Confident61 Ų61103.9 Ų103.950%0.50454%0.544SS..Hα-helixtrans-63.3-41.4176.600000111.8Q13 L14 M20 L21Q13-A17 WeakPolarHBondContact O-CB 3.38Å; Q13-A17 PolarHBondContact O-N 2.79Å; L14-A17 PolarHBondContact O-N 2.67Å; A17-M20 PolarHBondContact O-N 3.47Å; A17-L21 WeakPolarHBondContact O-CB 3.48Å; A17-L21 PolarHBondContact O-N 3.21Å
18A88.6Confident82.8Confident53 Ų53103.8 Ų103.844%0.43854%0.544SS..Hα-helixtrans-65-42176.400000112.2L14 L15 L21 V22L14-A18 WeakPolarHBondContact O-CB 3.49Å; L14-A18 PolarHBondContact O-N 3.11Å; L15-A18 PolarHBondContact O-N 3.05Å; A18-L21 PolarHBondContact O-N 3.01Å; A18-V22 WeakPolarHBondContact O-CG2 3.48Å; A18-V22 PolarHBondContact O-N 3.1Å
19L91Very high83.7Confident106 Ų106102.7 Ų102.756%0.55554%0.54SS*.Hα-helixtrans-64.3-41.4176.1-75.4167.3000112.1L15 L16 L21 V22 A23L15-L19 HydrophobicContact CG-CD1 4.33Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.1Å; L16-L19 PolarHBondContact O-N 2.63Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.4Å; L19-V22 PolarHBondContact O-N 2.71Å; L19-A23 WeakPolarHBondContact O-CB 3.2Å; L19-A23 PolarHBondContact O-N 2.9Å
20M90.3Very high84.3Confident132 Ų132104.3 Ų104.365%0.6554%0.544SS*.Hα-helixtrans-62.9-40.2175.1-76.3-69.4-71.400112.1L16 A17 A23 M24L16-M20 WeakPolarHBondContact O-CB 3.48Å; L16-M20 WeakPolarHBondContact O-CG 3.43Å; L16-M20 PolarHBondContact O-N 3.26Å; A17-M20 PolarHBondContact O-N 3.47Å; M20-A23 PolarHBondContact O-N 2.82Å; M20-M24 PolarHBondContact O-N 3.27Å
21L92.4Very high84.3Confident107 Ų107105.6 Ų105.656%0.5655%0.55SS*.Hα-helixtrans-63.2-44.9176.3-174.374.8000111.5A17 A18 L19 A23 M24 L25A17-L21 WeakPolarHBondContact O-CB 3.48Å; A17-L21 PolarHBondContact O-N 3.21Å; A18-L21 PolarHBondContact O-N 3.01Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.4Å; L21-A23 PolarHBondContact O-N 3.25Å; L21-M24 PolarHBondContact O-N 2.99Å; L21-L25 HydrophobicContact CG-CD1 4.18Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 2.83Å
22V92.4Very high84.1Confident75 Ų75103.5 Ų103.546%0.45555%0.545SS..Hα-helixtrans-62.5-43.4177.5171.90000110.9A18 L19 M24 L25 Q26A18-V22 WeakPolarHBondContact O-CG2 3.48Å; A18-V22 PolarHBondContact O-N 3.1Å; L19-V22 PolarHBondContact O-N 2.71Å; V22-M24 PolarHBondContact O-N 3.35Å; V22-L25 PolarHBondContact O-N 3.27Å; V22-Q26 WeakPolarHBondContact O-CG 3.41Å; V22-Q26 PolarHBondContact O-N 3.37Å
23A87.7Confident83.4Confident42 Ų42100.1 Ų100.135%0.34754%0.536SS..Hα-helixtrans-62.4-41.6176.700000112.1L19 M20 L21 Q26 L27L19-A23 WeakPolarHBondContact O-CB 3.2Å; L19-A23 PolarHBondContact O-N 2.9Å; M20-A23 PolarHBondContact O-N 2.82Å; L21-A23 PolarHBondContact O-N 3.25Å; A23-Q26 PolarHBondContact O-N 3.45Å; A23-L27 WeakPolarHBondContact O-CG 3.5Å; A23-L27 PolarHBondContact O-N 3.13Å
24M91Very high82.3Confident139 Ų13997.7 Ų97.769%0.68553%0.534SS*.Hα-helixtrans-62.5-44.2174.8-103.9-167.6171.300112.3M20 L21 V22 Q26 L27 L28M20-M24 PolarHBondContact O-N 3.27Å; L21-M24 PolarHBondContact O-N 2.99Å; V22-M24 PolarHBondContact O-N 3.35Å; M24-Q26 VanDerWaalsContact C-N 3.33Å; M24-Q26 PolarHBondContact O-N 2.01Å; M24-L27 PolarHBondContact O-N 3.32Å; M24-L28 WeakPolarHBondContact O-CB 3.47Å; M24-L28 PolarHBondContact O-N 3.11Å
25L90.1Very high80.8Confident103 Ų10393.6 Ų93.654%0.53952%0.522SS..Hα-helixtrans-64.8-38.1178.1-73.7168000111.8L21 V22 L28 Y29L21-L25 HydrophobicContact CG-CD1 4.18Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 2.83Å; V22-L25 PolarHBondContact O-N 3.27Å; L25-L28 PolarHBondContact O-N 3.29Å; L25-Y29 WeakPolarHBondContact O-CB 2.96Å; L25-Y29 PolarHBondContact O-N 3.34Å
26Q83.3Confident79.2Confident121 Ų12194.6 Ų94.657%0.56553%0.527SS*.Hα-helixtrans-65.5-41.4174.8-76.4179.8-29.600112.2V22 A23 M24 Y29 L30V22-Q26 WeakPolarHBondContact O-CG 3.41Å; V22-Q26 PolarHBondContact O-N 3.37Å; A23-Q26 PolarHBondContact O-N 3.45Å; M24-Q26 VanDerWaalsContact C-N 3.33Å; M24-Q26 PolarHBondContact O-N 2.01Å; Q26-Y29 PolarHBondContact O-N 2.62Å; Q26-L30 WeakPolarHBondContact O-CB 3.45Å; Q26-L30 WeakPolarHBondContact O-CG 3.49Å; Q26-L30 PolarHBondContact O-N 3.42Å
27L79.3Confident77.3Confident119 Ų11996.1 Ų96.162%0.62353%0.532SS*.Hα-helixtrans-65.4-40.2175.4-74.8167.5000112.1A23 M24 L30 S31A23-L27 WeakPolarHBondContact O-CG 3.5Å; A23-L27 PolarHBondContact O-N 3.13Å; M24-L27 PolarHBondContact O-N 3.32Å; L27-L30 PolarHBondContact O-N 3.06Å; L27-S31 WeakPolarHBondContact O-CB 3.34Å; L27-S31 PolarHBondContact O-N 3.17Å
28L83Confident75.2Confident110 Ų11094.6 Ų94.658%0.57652%0.521SS*.Hα-helixtrans-64.6-43176-161.3111.6000111.2M24 L25 S31 L32M24-L28 WeakPolarHBondContact O-CB 3.47Å; M24-L28 PolarHBondContact O-N 3.11Å; L25-L28 PolarHBondContact O-N 3.29Å; L28-S31 PolarHBondContact O-N 3.16Å; L28-L32 HydrophobicContact CD2-CD1 3.8Å; L28-L32 HydrophobicContact CG-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CD1 3.02Å; L28-L32 PolarHBondContact O-N 3.03Å
29Y78.2Confident73.3Confident152 Ų15297.6 Ų97.660%0.59653%0.526SS*.Hα-helixtrans-62.6-44.1176.4-179.3-108000112.3L25 Q26 L32 L33L25-Y29 WeakPolarHBondContact O-CB 2.96Å; L25-Y29 PolarHBondContact O-N 3.34Å; Q26-Y29 PolarHBondContact O-N 2.62Å; Y29-L32 PolarHBondContact O-N 2.92Å; Y29-L33 HydrophobicContact CD1-CD1 3.78Å; Y29-L33 HydrophobicContact CE1-CD1 3.25Å; Y29-L33 HydrophobicContact CE1-CG 4.38Å; Y29-L33 HydrophobicContact CE2-CD1 4.19Å; Y29-L33 HydrophobicContact CG-CD1 4.45Å; Y29-L33 VanDerWaalsContact CZ-CD1 3.48Å; Y29-L33 PolarHBondContact O-N 2.98Å
30L72.3Confident71.3Confident108 Ų10899 Ų9957%0.56553%0.53SS*.Hα-helixtrans-64.9-39175.3-73.4167.2000112.1Q26 L27 L33 S34Q26-L30 WeakPolarHBondContact O-CB 3.45Å; Q26-L30 WeakPolarHBondContact O-CG 3.49Å; Q26-L30 PolarHBondContact O-N 3.42Å; L27-L30 PolarHBondContact O-N 3.06Å; L30-L33 PolarHBondContact O-N 3.23Å; L30-S34 PolarHBondContact O-N 3.23Å; L30-S34 PolarHBondContact O-OG 2.63Å
31S70.7Confident69.1Low78 Ų7898.6 Ų98.655%0.54553%0.527SS..Hα-helixtrans-63.2-39.9174.5-178.10000112.3L27 L28 S34 G35L27-S31 WeakPolarHBondContact O-CB 3.34Å; L27-S31 PolarHBondContact O-N 3.17Å; L28-S31 PolarHBondContact O-N 3.16Å; S31-S34 WeakPolarHBondContact CA-OG 3.37Å; S31-S34 PolarHBondContact O-OG 2.65Å; S31-G35 PolarHBondContact O-N 3.2Å
32L71.3Confident66.8Low100 Ų10098.7 Ų98.752%0.52452%0.524SS..Hα-helixtrans-68.4-41.8176.7-83.8153.4000111.8L28 Y29 G35 L36L28-L32 HydrophobicContact CD2-CD1 3.8Å; L28-L32 HydrophobicContact CG-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CD1 3.02Å; L28-L32 PolarHBondContact O-N 3.03Å; Y29-L32 PolarHBondContact O-N 2.92Å; L32-G35 PolarHBondContact O-N 2.77Å; L32-L36 PolarHBondContact O-N 3.42Å; L32-L36 VanDerWaalsContact O-N 3.1Å
33L63.3Low64.5Low72 Ų72100.3 Ų100.338%0.37753%0.531SS..Hα-helixtrans-63.3-41.6174.7-88.8164.6000112.3Y29 L30 G35 L36 H37Y29-L33 HydrophobicContact CD1-CD1 3.78Å; Y29-L33 HydrophobicContact CE1-CD1 3.25Å; Y29-L33 HydrophobicContact CE1-CG 4.38Å; Y29-L33 HydrophobicContact CE2-CD1 4.19Å; Y29-L33 HydrophobicContact CG-CD1 4.45Å; Y29-L33 VanDerWaalsContact CZ-CD1 3.48Å; Y29-L33 PolarHBondContact O-N 2.98Å; L30-L33 PolarHBondContact O-N 3.23Å; L33-G35 VanDerWaalsContact C-N 3.26Å; L33-G35 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 2.97Å; L33-H37 PolarHBondContact O-N 3.48Å
34S56Low62.3Low83 Ų83104 Ų10458%0.5854%0.541SS*.Hα-helixtrans-64.8-29.8176.359.40000113.3L30 S31 G38L30-S34 PolarHBondContact O-N 3.23Å; L30-S34 PolarHBondContact O-OG 2.63Å; S31-S34 WeakPolarHBondContact CA-OG 3.37Å; S31-S34 PolarHBondContact O-OG 2.65Å; S34-G38 PolarHBondContact O-N 3.06Å
35G53.1Low59.6Low39 Ų39105 Ų10540%0.40254%0.538SS..Hα-helixtrans-74.7-39.417600000113S31 L32 L33 Q39S31-G35 PolarHBondContact O-N 3.2Å; L32-G35 PolarHBondContact O-N 2.77Å; L33-G35 VanDerWaalsContact C-N 3.26Å; L33-G35 PolarHBondContact O-N 3.28Å; G35-Q39 PolarHBondContact O-N 3.07Å
36L52.7Low57.2Low105 Ų105105.3 Ų105.355%0.5554%0.535SS..Hα-helixtrans-77.3-44.3-177.3-73.8164.3000112.8L32 L33 G38 Q39 E40L32-L36 PolarHBondContact O-N 3.42Å; L32-L36 VanDerWaalsContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 2.97Å; L36-G38 VanDerWaalsContact C-N 3.31Å; L36-G38 PolarHBondContact O-N 3.26Å; L36-Q39 PolarHBondContact O-N 2.97Å; L36-E40 PolarHBondContact O-N 3.33Å
37H47.9Very low55.5Low114 Ų114107.1 Ų107.153%0.52854%0.543SS..Hα-helixtrans-67.9-33.5176.6-120.355.6000112L33 Q39 E41L33-H37 PolarHBondContact O-N 3.48Å; H37-Q39 VanDerWaalsContact C-N 3.3Å; H37-Q39 PolarHBondContact O-N 3.49Å; H37-E41 WeakPolarHBondContact O-CB 3.39Å; H37-E41 PolarHBondContact O-N 2.89Å
38G45.5Very low53.5Low28 Ų28108.2 Ų108.229%0.28954%0.544SS..Hα-helixtrans-66.7-29.3175.300000113.6S34 L36 Q42S34-G38 PolarHBondContact O-N 3.06Å; L36-G38 VanDerWaalsContact C-N 3.31Å; L36-G38 PolarHBondContact O-N 3.26Å; G38-Q42 WeakPolarHBondContact O-CB 2.96Å; G38-Q42 VanDerWaalsContact O-CG 3.26Å; G38-Q42 WeakPolarHBondContact O-CG 3.39Å; G38-Q42 PolarHBondContact O-N 3.38Å; G38-Q42 VanDerWaalsContact O-N 3.07Å
39Q47.8Very low51.3Low116 Ų116108.9 Ų108.954%0.54254%0.542SS..Hα-helixtrans-76.7-46175.5-80.1-174.6-62.600112.2G35 L36 H37 E41 Q42 D43G35-Q39 PolarHBondContact O-N 3.07Å; L36-Q39 PolarHBondContact O-N 2.97Å; H37-Q39 VanDerWaalsContact C-N 3.3Å; H37-Q39 PolarHBondContact O-N 3.49Å; Q39-E41 PolarHBondContact O-N 3.42Å; Q39-Q42 PolarHBondContact O-N 2.99Å; Q39-D43 WeakPolarHBondContact O-CB 3.44Å; Q39-D43 VanDerWaalsContact O-CG 3.23Å; Q39-D43 PolarHBondContact O-N 3.49Å
40E50.1Low49.6Very low135 Ų135106.6 Ų106.663%0.63155%0.545SS*.Hα-helixtrans-64.5-40.5177.4-78.9-179.815400112.2L36 Q44L36-E40 PolarHBondContact O-N 3.33Å; E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 PolarHBondContact O-N 3.44Å
41E43.9Very low48.3Very low124 Ų124105.3 Ų105.358%0.57954%0.544SS*.Hα-helixtrans-68.8-35.8173.8-75.5-171.6160.500112H37 Q39 Y45H37-E41 WeakPolarHBondContact O-CB 3.39Å; H37-E41 PolarHBondContact O-N 2.89Å; Q39-E41 PolarHBondContact O-N 3.42Å; E41-Y45 WeakPolarHBondContact O-CB 3.48Å; E41-Y45 PolarHBondContact O-N 3.48Å
42Q44Very low47.2Very low109 Ų109106.2 Ų106.251%0.50955%0.55SS..Hα-helixtrans-64.7-46.5173.7-91.5-177.5-46.100111.9G38 Q39 Q44 Y45 F46G38-Q42 WeakPolarHBondContact O-CB 2.96Å; G38-Q42 VanDerWaalsContact O-CG 3.26Å; G38-Q42 WeakPolarHBondContact O-CG 3.39Å; G38-Q42 PolarHBondContact O-N 3.38Å; G38-Q42 VanDerWaalsContact O-N 3.07Å; Q39-Q42 PolarHBondContact O-N 2.99Å; Q42-Q44 VanDerWaalsContact C-N 3.31Å; Q42-Q44 PolarHBondContact O-N 3.45Å; Q42-Y45 CarbonylContact O-C 3.58Å; Q42-Y45 PolarHBondContact O-N 2.89Å; Q42-Y45 VanDerWaalsContact O-N 3.15Å; Q42-F46 HydrophobicContact CB-CD2 4.16Å; Q42-F46 HydrophobicContact CB-CE2 4.05Å; Q42-F46 HydrophobicContact CG-CE2 4.29Å; Q42-F46 WeakPolarHBondContact O-CB 3.44Å; Q42-F46 WeakPolarHBondContact O-CD2 3.37Å; Q42-F46 WeakPolarHBondContact O-CG 3.38Å; Q42-F46 PolarHBondContact O-N 3.21Å
43D43.7Very low46.7Very low110 Ų110106.7 Ų106.759%0.58856%0.559SS**Hα-helixtrans-61.9-42.4-179.8-70.4-18.5000110.5Q39 F46 E47Q39-D43 WeakPolarHBondContact O-CB 3.44Å; Q39-D43 VanDerWaalsContact O-CG 3.23Å; Q39-D43 PolarHBondContact O-N 3.49Å; D43-F46 PolarHBondContact O-N 2.91Å; D43-E47 PolarHBondContact O-N 3.3Å; D43-E47 VanDerWaalsContact O-N 3.1Å
44Q40.5Very low47Very low120 Ų120105.8 Ų105.856%0.56155%0.551SS**Hα-helixtrans-67.1-39.2174.2-158.4172.724.600111.7E40 Q42 E47 F48E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 PolarHBondContact O-N 3.44Å; Q42-Q44 VanDerWaalsContact C-N 3.31Å; Q42-Q44 PolarHBondContact O-N 3.45Å; Q44-E47 WeakPolarHBondContact O-CB 3.21Å; Q44-E47 PolarHBondContact O-N 2.81Å; Q44-F48 HydrophobicContact CG-CD2 4.31Å; Q44-F48 HydrophobicContact CG-CE2 4.02Å; Q44-F48 WeakPolarHBondContact O-CD2 3.45Å; Q44-F48 PolarHBondContact O-N 2.86Å
45Y34.8Very low48.3Very low160 Ų160104.2 Ų104.263%0.62754%0.54SS*.Hα-helixtrans-69.5-34.7177.6-154.1-85.4000112.7E41 Q42 E47 F48 F49E41-Y45 WeakPolarHBondContact O-CB 3.48Å; E41-Y45 PolarHBondContact O-N 3.48Å; Q42-Y45 CarbonylContact O-C 3.58Å; Q42-Y45 PolarHBondContact O-N 2.89Å; Q42-Y45 VanDerWaalsContact O-N 3.15Å; Y45-E47 VanDerWaalsContact C-N 3.33Å; Y45-F48 PolarHBondContact O-N 3.37Å; Y45-F49 HydrophobicContact CD1-CB 4.3Å; Y45-F49 AromaticContact CD1-CD2 3.98Å; Y45-F49 HydrophobicContact CD1-CD2 3.98Å; Y45-F49 HydrophobicContact CE1-CB 4.19Å; Y45-F49 AromaticContact CE1-CD2 3.69Å; Y45-F49 HydrophobicContact CE1-CD2 3.69Å; Y45-F49 HydrophobicContact CE1-CE2 4.44Å; Y45-F49 HydrophobicContact CE1-CG 4.18Å; Y45-F49 HydrophobicContact CE2-CD2 4.32Å; Y45-F49 HydrophobicContact CE2-CE2 4.41Å; Y45-F49 HydrophobicContact CG-CD2 4.4Å; Y45-F49 AromaticContact CZ-CD2 3.88Å; Y45-F49 PolarHBondContact O-N 2.89Å
46F40Very low49.7Very low108 Ų108104.3 Ų104.347%0.47453%0.533SS..Hα-helixtrans-68.7-31.1173.4-79.4-61.9000112.1Q42 D43Q42-F46 HydrophobicContact CB-CD2 4.16Å; Q42-F46 HydrophobicContact CB-CE2 4.05Å; Q42-F46 HydrophobicContact CG-CE2 4.29Å; Q42-F46 WeakPolarHBondContact O-CB 3.44Å; Q42-F46 WeakPolarHBondContact O-CD2 3.37Å; Q42-F46 WeakPolarHBondContact O-CG 3.38Å; Q42-F46 PolarHBondContact O-N 3.21Å; D43-F46 PolarHBondContact O-N 2.91Å
47E47Very low51.2Low159 Ų159104.5 Ų104.574%0.74353%0.534SS*.Hα-helixtrans-64.2-39.5171.9-120.7-176.1175.400112.2D43 Q44 Y45D43-E47 PolarHBondContact O-N 3.3Å; D43-E47 VanDerWaalsContact O-N 3.1Å; Q44-E47 WeakPolarHBondContact O-CB 3.21Å; Q44-E47 PolarHBondContact O-N 2.81Å; Y45-E47 VanDerWaalsContact C-N 3.33Å
48F37.4Very low53Low143 Ų143104.2 Ų104.263%0.62753%0.533SS*.Hα-helixtrans-90.5-25.6-177.8-73.3-72.4000114.3Q44 Y45Q44-F48 HydrophobicContact CG-CD2 4.31Å; Q44-F48 HydrophobicContact CG-CE2 4.02Å; Q44-F48 WeakPolarHBondContact O-CD2 3.45Å; Q44-F48 PolarHBondContact O-N 2.86Å; Y45-F48 PolarHBondContact O-N 3.37Å
49F38.1Very low54.9Low124 Ų124102.9 Ų102.954%0.54452%0.519SS..SBendtrans-134.689179.5-61.4-79.7000109.8Y45Y45-F49 HydrophobicContact CD1-CB 4.3Å; Y45-F49 AromaticContact CD1-CD2 3.98Å; Y45-F49 HydrophobicContact CD1-CD2 3.98Å; Y45-F49 HydrophobicContact CE1-CB 4.19Å; Y45-F49 AromaticContact CE1-CD2 3.69Å; Y45-F49 HydrophobicContact CE1-CD2 3.69Å; Y45-F49 HydrophobicContact CE1-CE2 4.44Å; Y45-F49 HydrophobicContact CE1-CG 4.18Å; Y45-F49 HydrophobicContact CE2-CD2 4.32Å; Y45-F49 HydrophobicContact CE2-CE2 4.41Å; Y45-F49 HydrophobicContact CG-CD2 4.4Å; Y45-F49 AromaticContact CZ-CD2 3.88Å; Y45-F49 PolarHBondContact O-N 2.89Å
50P41.7Very low56.6Low103 Ų10399.2 Ų99.267%0.66950%0.502SS*.PPolyproline II helixtrans-53.5139.8170.622.1-32.2000108.8S52P50-S52 PolarHBondContact O-N 3.34Å; P50-S52 VanDerWaalsContact O-N 3.15Å
51P44.3Very low58.4Low81 Ų8196.8 Ų96.853%0.52650%0.496SS..PPolyproline II helixtrans-53.7128.6-175.520.5-30.7000109
52S48.5Very low60.6Low97 Ų9792.6 Ų92.668%0.67848%0.477SS*.PPolyproline II helixtrans-55.2138.9176.2550000108.8P50 R54P50-S52 PolarHBondContact O-N 3.34Å; P50-S52 VanDerWaalsContact O-N 3.15Å; S52-R54 PolarHBondContact O-N 3.3Å; S52-R54 VanDerWaalsContact O-N 3.09Å
53P60.3Low62.7Low110 Ų11087.5 Ų87.571%0.71445%0.453SS*.PPolyproline II helixtrans-50.9125.4177.2-24.531.5000108.9S55P53-S55 PolarHBondContact O-N 3Å
54R69.7Low64.9Low53 Ų5387.4 Ų87.420%0.244%0.444CS..PPolyproline II helixtrans-50127.7-177.3-85.3175.1-84.5151.24.1109.8S52 V59 K87 R150S52-R54 PolarHBondContact O-N 3.3Å; S52-R54 VanDerWaalsContact O-N 3.09Å; R54-V59 HydrophobicContact CB-CG2 3.88Å; R54-K87 VanDerWaalsContact NH1-C 3.31Å; R54-K87 PolarHBondContact NH1-O 2.96Å; R54-K87 PolarHBondContact NH2-O 3.18Å; R54-R150 PolarHBondContact NH2-O 3.21Å
55S82.4Confident67.4Low51 Ų5186.1 Ų86.136%0.35744%0.444SS..PPolyproline II helixtrans-65.1153.2-179.681.60000109.5P53 D57 Q58 V59P53-S55 PolarHBondContact O-N 3Å; S55-D57 PolarHBondContact O-N 2.99Å; S55-Q58 PolarHBondContact O-N 3.43Å; S55-Q58 VanDerWaalsContact O-N 3.16Å; S55-Q58 WeakPolarHBondContact OG-CG 3.33Å; S55-Q58 PolarHBondContact OG-N 3.33Å; S55-V59 PolarHBondContact O-N 3.17Å; S55-V59 VanDerWaalsContact O-N 3.14Å
56V82.8Confident70.1Confident41 Ų4179.2 Ų79.225%0.24842%0.42CS..Hα-helixtrans-54.3-38.3176.71710000110.8V59 K60V56-V59 PolarHBondContact O-N 3.41Å; V56-K60 HydrophobicContact CG1-CD 4.01Å; V56-K60 HydrophobicContact CG1-CG 4.42Å; V56-K60 VanDerWaalsContact O-CG 3.23Å; V56-K60 WeakPolarHBondContact O-CG 3.42Å; V56-K60 PolarHBondContact O-N 3.08Å
57D84.9Confident72.6Confident109 Ų10974.3 Ų74.358%0.58340%0.399SS*.Hα-helixtrans-70.6-36.5-179.3-62.9-35.6000113.4S55 K60 T61S55-D57 PolarHBondContact O-N 2.99Å; D57-K60 PolarHBondContact O-N 3.13Å; D57-T61 WeakPolarHBondContact O-CB 3.26Å; D57-T61 PolarHBondContact O-N 3.49Å; D57-T61 PolarHBondContact O-OG1 3.09Å
58Q85.7Confident74.7Confident107 Ų10770.7 Ų70.750%0.540%0.397SS..Hα-helixtrans-61.3-47.1173.1-74.6171.4-28.200110.6S55 K60 T61 Q62S55-Q58 PolarHBondContact O-N 3.43Å; S55-Q58 VanDerWaalsContact O-N 3.16Å; S55-Q58 WeakPolarHBondContact OG-CG 3.33Å; S55-Q58 PolarHBondContact OG-N 3.33Å; Q58-K60 PolarHBondContact O-N 3.1Å; Q58-T61 PolarHBondContact O-N 3.42Å; Q58-Q62 PolarHBondContact O-N 2.99Å
59V84.6Confident77.2Confident1 Ų167.7 Ų67.71%0.00639%0.393CS..Hα-helixtrans-64.8-40.7179.7-178.80000111.3R54 S55 V56 T61 Q62 L63 L86 S143 R150R54-V59 HydrophobicContact CB-CG2 3.88Å; S55-V59 PolarHBondContact O-N 3.17Å; S55-V59 VanDerWaalsContact O-N 3.14Å; V56-V59 PolarHBondContact O-N 3.41Å; V59-T61 PolarHBondContact O-N 3.05Å; V59-Q62 PolarHBondContact O-N 3.41Å; V59-L63 WeakPolarHBondContact O-CB 3.48Å; V59-L63 PolarHBondContact O-N 3.16Å; V59-L86 HydrophobicContact CG1-CD2 3.29Å; V59-S143 VanDerWaalsContact CG1-CB 3.46Å; V59-R150 HydrophobicContact CG2-CG 4.35Å
60K84.5Confident79.7Confident39 Ų3962.7 Ų62.717%0.1738%0.377CS..Hα-helixtrans-61.6-42.8174.9-73.4176.4-178.5178.50112.6V56 D57 Q58 Q62 L63 R64 Y140 S144V56-K60 HydrophobicContact CG1-CD 4.01Å; V56-K60 HydrophobicContact CG1-CG 4.42Å; V56-K60 VanDerWaalsContact O-CG 3.23Å; V56-K60 WeakPolarHBondContact O-CG 3.42Å; V56-K60 PolarHBondContact O-N 3.08Å; D57-K60 PolarHBondContact O-N 3.13Å; Q58-K60 PolarHBondContact O-N 3.1Å; K60-Q62 VanDerWaalsContact C-N 3.35Å; K60-L63 PolarHBondContact O-N 3.39Å; K60-R64 WeakPolarHBondContact O-CG 3.22Å; K60-R64 PolarHBondContact O-N 2.83Å; K60-Y140 HydrophobicContact CB-CE2 4.4Å; K60-Y140 HydrophobicContact CD-CD2 4.47Å; K60-Y140 HydrophobicContact CD-CE2 3.53Å; K60-Y140 VanDerWaalsContact CE-CE2 3.43Å; K60-Y140 WeakPolarHBondContact CE-OH 3.36Å; K60-Y140 HydrophobicContact CG-CD2 3.98Å; K60-Y140 HydrophobicContact CG-CE2 3.49Å; K60-Y140 VanDerWaalsContact CG-CE2 3.49Å; K60-Y140 PolarHBondContact NZ-OH 2.8Å; K60-S144 WeakPolarHBondContact CE-OG 3.4Å
61T88.1Confident82.2Confident83 Ų8358.4 Ų58.451%0.50935%0.352SS..Hα-helixtrans-64.3-42.7178.2-57.70000110.9D57 Q58 V59 R64 T65D57-T61 WeakPolarHBondContact O-CB 3.26Å; D57-T61 PolarHBondContact O-N 3.49Å; D57-T61 PolarHBondContact O-OG1 3.09Å; Q58-T61 PolarHBondContact O-N 3.42Å; V59-T61 PolarHBondContact O-N 3.05Å; T61-R64 PolarHBondContact O-N 2.83Å; T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 PolarHBondContact O-N 2.92Å; T61-T65 PolarHBondContact O-OG1 3.08Å
62Q89Confident84.7Confident37 Ų3758.8 Ų58.817%0.17335%0.352CS..Hα-helixtrans-60.6-49.7174.9-175.8-171.5-57.500111.8Q58 V59 K60 R64 T65 A66 G84 L85 K87Q58-Q62 PolarHBondContact O-N 2.99Å; V59-Q62 PolarHBondContact O-N 3.41Å; K60-Q62 VanDerWaalsContact C-N 3.35Å; Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 2.99Å; Q62-T65 WeakPolarHBondContact O-CB 3.41Å; Q62-T65 PolarHBondContact O-N 3.26Å; Q62-T65 VanDerWaalsContact O-N 3.14Å; Q62-A66 PolarHBondContact O-N 3.18Å; Q62-G84 PolarHBondContact NE2-O 3.1Å; Q62-L85 PolarHBondContact NE2-O 3.19Å; Q62-K87 VanDerWaalsContact NE2-CG 3.25Å; Q62-K87 VanDerWaalsContact NE2-N 3.13Å
63L89.7Confident87Confident1 Ų158.3 Ų58.31%0.00534%0.341CS..Hα-helixtrans-57.7-45.1179-179.8149.2000111.2V59 K60 T65 A66 L67 A139V59-L63 WeakPolarHBondContact O-CB 3.48Å; V59-L63 PolarHBondContact O-N 3.16Å; K60-L63 PolarHBondContact O-N 3.39Å; L63-T65 PolarHBondContact O-N 2.79Å; L63-A66 PolarHBondContact O-N 2.82Å; L63-L67 HydrophobicContact CD2-CD1 3.51Å; L63-L67 HydrophobicContact CG-CD1 4.16Å; L63-L67 WeakPolarHBondContact O-CG 3.36Å; L63-L67 PolarHBondContact O-N 2.96Å; L63-A139 HydrophobicContact CD1-CB 3.77Å
64R89.9Confident88.8Confident108 Ų10854 Ų5441%0.40831%0.312SS..Hα-helixtrans-60.4-44.1175.5-74.7178.7177.5160.70.2112.3K60 T61 Q62 L67 A68 V167K60-R64 WeakPolarHBondContact O-CG 3.22Å; K60-R64 PolarHBondContact O-N 2.83Å; T61-R64 PolarHBondContact O-N 2.83Å; Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 2.99Å; R64-L67 PolarHBondContact O-N 2.74Å; R64-A68 VanDerWaalsContact O-CB 3.25Å; R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 3.18Å; R64-V167 HydrophobicContact CB-CG2 4.47Å; R64-V167 HydrophobicContact CG-CG1 3.76Å; R64-V167 HydrophobicContact CG-CG2 4.34Å
65T91.2Very high90Very high93 Ų9356.5 Ų56.557%0.57134%0.344SS*.Hα-helixtrans-63.8-44.5179.2-55.30000111.2T61 Q62 L63 L67 A68 S69T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 PolarHBondContact O-N 2.92Å; T61-T65 PolarHBondContact O-OG1 3.08Å; Q62-T65 WeakPolarHBondContact O-CB 3.41Å; Q62-T65 PolarHBondContact O-N 3.26Å; Q62-T65 VanDerWaalsContact O-N 3.14Å; L63-T65 PolarHBondContact O-N 2.79Å; T65-L67 VanDerWaalsContact C-N 3.35Å; T65-L67 PolarHBondContact O-N 3.48Å; T65-A68 PolarHBondContact O-N 3.16Å; T65-S69 PolarHBondContact O-N 3.04Å
66A92.3Very high90.6Very high15 Ų1556.8 Ų56.812%0.12435%0.346CS..Hα-helixtrans-62.1-42.1177.900000111.6Q62 L63 S69 L85Q62-A66 PolarHBondContact O-N 3.18Å; L63-A66 PolarHBondContact O-N 2.82Å; A66-S69 WeakPolarHBondContact O-CB 3.47Å; A66-S69 PolarHBondContact O-N 2.73Å; A66-S69 PolarHBondContact O-OG 2.85Å; A66-L85 HydrophobicContact CB-CD2 3.83Å
67L92.6Very high91.2Very high6 Ų656.1 Ų56.13%0.03135%0.348CS..Hα-helixtrans-70.8-40.2177.6-66.7169.6000112.6L63 R64 T65 S69 G70 Y82 L85 T136 A165 V167L63-L67 HydrophobicContact CD2-CD1 3.51Å; L63-L67 HydrophobicContact CG-CD1 4.16Å; L63-L67 WeakPolarHBondContact O-CG 3.36Å; L63-L67 PolarHBondContact O-N 2.96Å; R64-L67 PolarHBondContact O-N 2.74Å; T65-L67 VanDerWaalsContact C-N 3.35Å; T65-L67 PolarHBondContact O-N 3.48Å; L67-S69 PolarHBondContact O-N 2.96Å; L67-S69 VanDerWaalsContact O-N 3.16Å; L67-G70 PolarHBondContact O-N 3.11Å; L67-G70 VanDerWaalsContact O-N 3.09Å; L67-Y82 HydrophobicContact CD2-CD1 4.03Å; L67-Y82 HydrophobicContact CD2-CE1 4.26Å; L67-Y82 HydrophobicContact CD2-CG 4.46Å; L67-L85 HydrophobicContact CD2-CD2 3.81Å; L67-L85 HydrophobicContact CG-CD2 3.93Å; L67-T136 HydrophobicContact CD1-CG2 3.88Å; L67-T136 HydrophobicContact CD2-CG2 3.61Å; L67-T136 HydrophobicContact CG-CG2 4.42Å; L67-A165 HydrophobicContact CD2-CB 3.65Å; L67-V167 HydrophobicContact CB-CG2 4.05Å; L67-V167 HydrophobicContact CD1-CG2 4.43Å
68A91.3Very high91.7Very high83 Ų8354.5 Ų54.569%0.68634%0.339SS*.Hα-helixtrans-63.8-18.3177.400000113.5R64 T65 G70R64-A68 VanDerWaalsContact O-CB 3.25Å; R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 3.18Å; T65-A68 PolarHBondContact O-N 3.16Å; A68-G70 PolarHBondContact O-N 2.88Å
69S90.5Very high92.3Very high79 Ų7949.6 Ų49.655%0.55232%0.316SS*.THydrogen-bonded Turntrans-63.5-16172.875.70000113.7T65 A66 L67 G71T65-S69 PolarHBondContact O-N 3.04Å; A66-S69 WeakPolarHBondContact O-CB 3.47Å; A66-S69 PolarHBondContact O-N 2.73Å; A66-S69 PolarHBondContact O-OG 2.85Å; L67-S69 PolarHBondContact O-N 2.96Å; L67-S69 VanDerWaalsContact O-N 3.16Å; S69-G71 PolarHBondContact O-N 2.79Å; S69-G71 PolarHBondContact OG-N 3.16Å; S69-G71 VanDerWaalsContact OG-N 3.16Å
70G90.7Very high92.9Very high20 Ų2051.4 Ų51.421%0.20632%0.323CS..THydrogen-bonded Turntrans72.42.3-173.200000113.6L67 A68 R80 Y82L67-G70 PolarHBondContact O-N 3.11Å; L67-G70 VanDerWaalsContact O-N 3.09Å; A68-G70 PolarHBondContact O-N 2.88Å; G70-R80 VanDerWaalsContact O-CD 3.24Å; G70-R80 WeakPolarHBondContact O-CD 3.3Å; G70-R80 PolarHBondContact O-NH1 2.83Å; G70-Y82 PolarHBondContact O-OH 2.8Å
71G93.8Very high93.6Very high13 Ų1349.7 Ų49.713%0.13432%0.316CS..  trans68.1168.2-176.900000113.1S69 V81 Y82S69-G71 PolarHBondContact O-N 2.79Å; S69-G71 PolarHBondContact OG-N 3.16Å; S69-G71 VanDerWaalsContact OG-N 3.16Å; G71-V81 WeakPolarHBondContact CA-O 3.08Å; G71-Y82 VanDerWaalsContact N-CE1 3.31Å
72V96.7Very high94Very high88 Ų8845.7 Ų45.753%0.53329%0.291SS..EExtended strand (participates in β ladder)trans-116.9137.8179.3-177.20000108.9V81V72-V81 PolarHBondContact N-O 2.88Å; V72-V81 WeakPolarHBondContact O-CB 3.05Å; V72-V81 PolarHBondContact O-N 2.89Å
73L97.4Very high94.4Very high88 Ų8849.3 Ų49.346%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-68.7144.4174.9-63.2-178.4000111Y79 R80L73-Y79 CarbonylContact C-O 3.38Å; L73-Y79 VanDerWaalsContact CA-O 3.27Å; L73-Y79 WeakPolarHBondContact CA-O 3.42Å; L73-R80 HydrophobicContact CD2-CB 4.18Å
74D96.3Very high94.6Very high19 Ų1949.6 Ų49.610%0.10231%0.307CS..  trans-70.8174.2171.982.7-62.7000111.4S76 G77 D78 Y79 V81 L211D74-S76 VanDerWaalsContact CG-OG 3.24Å; D74-S76 PolarHBondContact O-N 2.03Å; D74-S76 PolarHBondContact OD1-OG 3.01Å; D74-S76 WeakPolarHBondContact OD2-CB 3.48Å; D74-S76 PolarHBondContact OD2-N 3.31Å; D74-S76 PolarHBondContact OD2-OG 3.25Å; D74-G77 PolarHBondContact O-N 3.28Å; D74-G77 PolarHBondContact OD1-N 3.19Å; D74-G77 VanDerWaalsContact OD1-N 3.15Å; D74-D78 PolarHBondContact OD1-N 3.09Å; D74-D78 VanDerWaalsContact OD1-N 3.08Å; D74-Y79 PolarHBondContact N-O 2.97Å; D74-Y79 PolarHBondContact OD1-N 3.28Å; D74-V81 HydrophobicContact CB-CG2 4.46Å; D74-L211 HydrophobicContact CB-CD1 4.21Å; D74-L211 HydrophobicContact CB-CD2 3.97Å
75A95.3Very high94.7Very high105 Ų10544.6 Ų44.687%0.86829%0.288SS*.THydrogen-bonded Turntrans-61.2-26.8-177.400000113.5
76S94.9Very high94.8Very high57 Ų5740.2 Ų40.240%0.39926%0.261SS..THydrogen-bonded Turntrans-82.5-21.8175.270.50000113.9D74 D78 R343D74-S76 VanDerWaalsContact CG-OG 3.24Å; D74-S76 PolarHBondContact O-N 2.03Å; D74-S76 PolarHBondContact OD1-OG 3.01Å; D74-S76 WeakPolarHBondContact OD2-CB 3.48Å; D74-S76 PolarHBondContact OD2-N 3.31Å; D74-S76 PolarHBondContact OD2-OG 3.25Å; S76-D78 PolarHBondContact O-N 3.04Å; S76-D78 WeakPolarHBondContact OG-CB 3.29Å; S76-D78 PolarHBondContact OG-N 3.26Å; S76-D78 PolarHBondContact OG-OD2 2.83Å; S76-R343 PolarHBondContact OG-NH2 3.05Å
77G95.9Very high94.8Very high28 Ų2845.1 Ų45.129%0.28928%0.279SS..SBendtrans78.60.7-171.500000114.4D74 S161D74-G77 PolarHBondContact O-N 3.28Å; D74-G77 PolarHBondContact OD1-N 3.19Å; D74-G77 VanDerWaalsContact OD1-N 3.15Å; G77-S161 WeakPolarHBondContact O-CB 3.32Å; G77-S161 PolarHBondContact O-OG 3.13Å
78D95.7Very high94.8Very high74 Ų7446.2 Ų46.240%0.39629%0.286SS..SBendtrans-78.7-24.2-179.3-67.5-30000112.3D74 S76 S161 R343D74-D78 PolarHBondContact OD1-N 3.09Å; D74-D78 VanDerWaalsContact OD1-N 3.08Å; S76-D78 PolarHBondContact O-N 3.04Å; S76-D78 WeakPolarHBondContact OG-CB 3.29Å; S76-D78 PolarHBondContact OG-N 3.26Å; S76-D78 PolarHBondContact OG-OD2 2.83Å; D78-S161 PolarHBondContact O-N 2.74Å; D78-S161 PolarHBondContact O-OG 3.48Å; D78-R343 IonicContact OD2-CZ 3.01Å; D78-R343 VanDerWaalsContact OD2-CZ 3.26Å; D78-R343 IonicContact OD2-NH1 3.83Å; D78-R343 PolarHBondContact OD2-NH1 3.08Å; D78-R343 IonicContact OD2-NH2 3.27Å; D78-R343 PolarHBondContact OD2-NH2 3.18Å
79Y97.8Very high94.6Very high5 Ų546.3 Ų46.32%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-128.9148-172.8-55.4-81.3000112.3L73 D74 F125 V158 C159 V205 S206 P208 L211L73-Y79 CarbonylContact C-O 3.38Å; L73-Y79 VanDerWaalsContact CA-O 3.27Å; L73-Y79 WeakPolarHBondContact CA-O 3.42Å; D74-Y79 PolarHBondContact N-O 2.97Å; D74-Y79 PolarHBondContact OD1-N 3.28Å; Y79-F125 AromaticContact CD1-CE2 3.82Å; Y79-F125 HydrophobicContact CD1-CE2 3.82Å; Y79-F125 HydrophobicContact CD1-CZ 4.49Å; Y79-F125 AromaticContact CE1-CE2 3.73Å; Y79-F125 HydrophobicContact CE1-CE2 3.73Å; Y79-F125 AromaticContact CE1-CZ 4Å; Y79-F125 HydrophobicContact CE1-CZ 4Å; Y79-V158 HydrophobicContact CD1-CG1 4.25Å; Y79-V158 HydrophobicContact CG-CG1 4.29Å; Y79-C159 CarbonylContact C-O 3.59Å; Y79-C159 WeakPolarHBondContact CA-O 3.35Å; Y79-V205 HydrophobicContact CE1-CG1 4.15Å; Y79-S206 PolarHBondContact OH-O 3.17Å; Y79-P208 HydrophobicContact CD1-CB 4.41Å; Y79-P208 HydrophobicContact CD1-CG 3.94Å; Y79-P208 HydrophobicContact CD2-CB 4.19Å; Y79-P208 HydrophobicContact CE1-CB 3.96Å; Y79-P208 HydrophobicContact CE1-CG 3.65Å; Y79-P208 HydrophobicContact CE2-CB 3.73Å; Y79-P208 HydrophobicContact CE2-CG 4.3Å; Y79-P208 HydrophobicContact CG-CG 4.37Å; Y79-L211 HydrophobicContact CD2-CD2 4.04Å; Y79-L211 HydrophobicContact CG-CD2 4.1Å
80R97.7Very high94.5Very high38 Ų3845.1 Ų45.114%0.14327%0.265CS..EExtended strand (participates in β ladder)trans-109129.1172.7-177.1-178.1-60.5-79.9-2.1109.6G70 L73 Y82 V158 C159 S161 Y163 E164G70-R80 VanDerWaalsContact O-CD 3.24Å; G70-R80 WeakPolarHBondContact O-CD 3.3Å; G70-R80 PolarHBondContact O-NH1 2.83Å; L73-R80 HydrophobicContact CD2-CB 4.18Å; R80-Y82 VanDerWaalsContact CD-OH 3.26Å; R80-Y82 WeakPolarHBondContact CD-OH 3.42Å; R80-Y82 HydrophobicContact CG-CD2 4.46Å; R80-Y82 HydrophobicContact CG-CE2 3.76Å; R80-V158 WeakPolarHBondContact O-CA 3.5Å; R80-C159 PolarHBondContact N-O 3.27Å; R80-C159 PolarHBondContact O-N 2.78Å; R80-S161 PolarHBondContact NE-O 2.89Å; R80-S161 PolarHBondContact NH2-O 2.98Å; R80-Y163 WeakPolarHBondContact CD-O 3.44Å; R80-Y163 PolarHBondContact NE-O 3.3Å; R80-E164 IonicContact CZ-OE1 3.46Å; R80-E164 IonicContact NH2-OE1 3.6Å
81V98.3Very high94.3Very high3 Ų349.4 Ų49.42%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-115.4122.8-172-1770000110.5G71 V72 D74 R83 V158 L211 L215G71-V81 WeakPolarHBondContact CA-O 3.08Å; V72-V81 PolarHBondContact N-O 2.88Å; V72-V81 WeakPolarHBondContact O-CB 3.05Å; V72-V81 PolarHBondContact O-N 2.89Å; D74-V81 HydrophobicContact CB-CG2 4.46Å; V81-R83 HydrophobicContact CG1-CG 4Å; V81-V158 HydrophobicContact CG1-CG2 4.31Å; V81-V158 HydrophobicContact CG2-CG1 4.44Å; V81-V158 HydrophobicContact CG2-CG2 4.18Å; V81-L211 HydrophobicContact CG2-CD2 4.42Å; V81-L215 HydrophobicContact CG1-CD1 3.91Å; V81-L215 HydrophobicContact CG1-CD2 3.58Å; V81-L215 HydrophobicContact CG1-CG 4.41Å
82Y97.6Very high93.6Very high0 Ų052.8 Ų52.80%030%0.299CS..EExtended strand (participates in β ladder)trans-106.4106.8170.8-63.1-93.8000108.8L67 G70 G71 R80 H156 L157 E164 A165L67-Y82 HydrophobicContact CD2-CD1 4.03Å; L67-Y82 HydrophobicContact CD2-CE1 4.26Å; L67-Y82 HydrophobicContact CD2-CG 4.46Å; G70-Y82 PolarHBondContact O-OH 2.8Å; G71-Y82 VanDerWaalsContact N-CE1 3.31Å; R80-Y82 VanDerWaalsContact CD-OH 3.26Å; R80-Y82 WeakPolarHBondContact CD-OH 3.42Å; R80-Y82 HydrophobicContact CG-CD2 4.46Å; R80-Y82 HydrophobicContact CG-CE2 3.76Å; Y82-H156 WeakPolarHBondContact O-CA 3.31Å; Y82-L157 HydrophobicContact CD2-CD2 4.27Å; Y82-L157 HydrophobicContact CD2-CG 4.33Å; Y82-L157 PolarHBondContact N-O 2.82Å; Y82-L157 PolarHBondContact O-N 2.95Å; Y82-E164 WeakPolarHBondContact OH-CA 3.41Å; Y82-A165 HydrophobicContact CD2-CB 4.09Å; Y82-A165 HydrophobicContact CE1-CB 4.18Å; Y82-A165 HydrophobicContact CE2-CB 3.58Å; Y82-A165 PolarHBondContact OH-N 3.3Å
83R96.4Very high93Very high113 Ų11350.8 Ų50.843%0.42629%0.285SS..EExtended strand (participates in β ladder)trans-85.2140-178.5-60.2-172.1164.366-0.8111.1V81 L85 L215 E218V81-R83 HydrophobicContact CG1-CG 4Å; R83-L85 PolarHBondContact O-N 3.19Å; R83-L215 HydrophobicContact CG-CD1 3.91Å; R83-E218 WeakPolarHBondContact CD-OE2 3.23Å; R83-E218 IonicContact NE-OE1 3.84Å; R83-E218 IonicContact NE-OE2 2.66Å; R83-E218 PolarHBondContact NE-OE2 2.8Å
84G93.6Very high92.7Very high7 Ų747 Ų477%0.07227%0.266CS..EExtended strand (participates in β ladder)trans61.843.1166.700000114Q62 L86 M155 H156Q62-G84 PolarHBondContact NE2-O 3.1Å; G84-L86 CarbonylContact C-O 3.51Å; G84-L86 WeakPolarHBondContact CA-O 3.32Å; G84-L86 PolarHBondContact O-N 3.44Å; G84-M155 CarbonylContact C-O 3.54Å; G84-H156 PolarHBondContact N-ND1 2.92Å
85L93.4Very high92.7Very high2 Ų246.1 Ų46.11%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-53.5-44.1166.2-64.8-172.1000109.7Q62 A66 L67 R83 A139 M155 L157Q62-L85 PolarHBondContact NE2-O 3.19Å; A66-L85 HydrophobicContact CB-CD2 3.83Å; L67-L85 HydrophobicContact CD2-CD2 3.81Å; L67-L85 HydrophobicContact CG-CD2 3.93Å; R83-L85 PolarHBondContact O-N 3.19Å; L85-A139 HydrophobicContact CD1-CB 4.49Å; L85-M155 WeakPolarHBondContact CB-O 3.33Å; L85-M155 PolarHBondContact N-O 3.3Å; L85-L157 HydrophobicContact CD1-CB 3.55Å; L85-L157 HydrophobicContact CD1-CD2 4.31Å; L85-L157 HydrophobicContact CG-CB 4.37Å
86L93.8Very high92.8Very high2 Ų241.3 Ų41.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-116.3148.1159.9-51.3179.1000107.9V59 G84 M149 V153 A154 M155V59-L86 HydrophobicContact CG1-CD2 3.29Å; G84-L86 CarbonylContact C-O 3.51Å; G84-L86 WeakPolarHBondContact CA-O 3.32Å; G84-L86 PolarHBondContact O-N 3.44Å; L86-M149 HydrophobicContact CD1-CE 4.09Å; L86-V153 WeakPolarHBondContact CB-O 3.32Å; L86-A154 WeakPolarHBondContact O-CA 3.39Å; L86-M155 HydrophobicContact CB-CB 3.81Å; L86-M155 HydrophobicContact CD1-CB 3.97Å; L86-M155 HydrophobicContact CD1-CE 4.31Å; L86-M155 HydrophobicContact CD1-SD 4.35Å; L86-M155 HydrophobicContact CG-CB 3.84Å; L86-M155 PolarHBondContact N-O 2.93Å; L86-M155 PolarHBondContact O-N 2.74Å
87K92.4Very high93Very high117 Ų11738.6 Ų38.651%0.50920%0.202SC..  trans-112.7162174.3-80.7172.8-173.3-171.20109R54 Q62 V153R54-K87 VanDerWaalsContact NH1-C 3.31Å; R54-K87 PolarHBondContact NH1-O 2.96Å; R54-K87 PolarHBondContact NH2-O 3.18Å; Q62-K87 VanDerWaalsContact NE2-CG 3.25Å; Q62-K87 VanDerWaalsContact NE2-N 3.13Å; K87-V153 VanDerWaalsContact O-O 3.08Å
88T91.4Very high93.1Very high29 Ų2937.3 Ų37.318%0.17819%0.188CC..  trans-131.4158.3165.5-162.30000108.9M90 P119 R152 A154T88-M90 HydrophobicContact CG2-CG 4.31Å; T88-P119 HydrophobicContact CG2-CB 3.88Å; T88-R152 WeakPolarHBondContact CB-O 3.22Å; T88-R152 PolarHBondContact OG1-O 3.16Å; T88-A154 HydrophobicContact CG2-CB 3.86Å
89T87.9Confident93.2Very high85 Ų8533.8 Ų33.852%0.52117%0.169SC..  trans-95.5145.6171.848.40000108.6
90M87.3Confident93.2Very high55 Ų5533.7 Ų33.727%0.27117%0.169SC..  trans-133.9130.2179.2-65.3-174.461.700109.1T88 D94 I96 P119 A220T88-M90 HydrophobicContact CG2-CG 4.31Å; M90-D94 HydrophobicContact CE-CB 4.35Å; M90-I96 HydrophobicContact CE-CB 3.72Å; M90-I96 HydrophobicContact CE-CD1 4.45Å; M90-I96 HydrophobicContact CE-CG1 4.48Å; M90-I96 HydrophobicContact CE-CG2 4.4Å; M90-I96 HydrophobicContact SD-CB 4.15Å; M90-I96 HydrophobicContact SD-CD1 3.73Å; M90-I96 HydrophobicContact SD-CG1 4.32Å; M90-P119 HydrophobicContact CG-CB 4.1Å; M90-P119 HydrophobicContact CG-CG 4.12Å; M90-A220 HydrophobicContact CE-CB 3.58Å; M90-A220 HydrophobicContact SD-CB 3.96Å
91E86.9Confident93.1Very high110 Ų11032 Ų3251%0.51416%0.163SC..  trans-76.4158.5167.3-60.1-55144.400110.4N93 D94E91-N93 PolarHBondContact O-N 2.94Å; E91-N93 VanDerWaalsContact O-N 3.13Å; E91-D94 HydrophobicContact CB-CB 4.49Å; E91-D94 WeakPolarHBondContact CB-OD2 3.47Å; E91-D94 PolarHBondContact N-OD2 3.05Å; E91-D94 WeakPolarHBondContact O-CB 3.48Å; E91-D94 PolarHBondContact O-N 3.32Å
92P80.2Confident92.8Very high83 Ų8332.5 Ų32.554%0.53917%0.167SC..THydrogen-bonded Turntrans-54.5-36.1-175.5-29.536.2000115N221P92-N221 WeakPolarHBondContact O-CB 3.14Å; P92-N221 PolarHBondContact O-ND2 2.92Å
93N83Confident92.4Very high46 Ų4632.6 Ų32.625%0.24617%0.167CC..THydrogen-bonded Turntrans-10210.4-179.2-65.5-21.4000113.2E91 D245E91-N93 PolarHBondContact O-N 2.94Å; E91-N93 VanDerWaalsContact O-N 3.13Å; N93-D245 WeakPolarHBondContact CB-OD1 3.38Å; N93-D245 PolarHBondContact ND2-OD1 3.38Å
94D92Very high92Very high10 Ų1029.7 Ų29.75%0.05316%0.16CC..PPolyproline II helixtrans-67.4139.1173.9-83.5-23.5000111M90 E91 P119 W237 R241M90-D94 HydrophobicContact CE-CB 4.35Å; E91-D94 HydrophobicContact CB-CB 4.49Å; E91-D94 WeakPolarHBondContact CB-OD2 3.47Å; E91-D94 PolarHBondContact N-OD2 3.05Å; E91-D94 WeakPolarHBondContact O-CB 3.48Å; E91-D94 PolarHBondContact O-N 3.32Å; D94-P119 HydrophobicContact CB-CG 3.97Å; D94-W237 WeakPolarHBondContact OD1-CZ2 3.46Å; D94-R241 IonicContact OD1-NH1 3.85Å
95V95.8Very high91.8Very high0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-91.4122.2164.2-173.50000108.2W116 L224 W237 L240 L244 V330V95-W116 HydrophobicContact CB-CH2 4.34Å; V95-W116 HydrophobicContact CB-CZ2 4.2Å; V95-W116 HydrophobicContact CG1-CH2 4.05Å; V95-W116 HydrophobicContact CG1-CZ2 4.1Å; V95-W116 WeakPolarHBondContact O-CZ2 3.39Å; V95-L224 HydrophobicContact CG1-CB 4.23Å; V95-W237 PolarHBondContact O-NE1 3.44Å; V95-L240 HydrophobicContact CG1-CD1 4.31Å; V95-L240 HydrophobicContact CG2-CB 3.9Å; V95-L240 HydrophobicContact CG2-CD1 4.38Å; V95-L244 HydrophobicContact CG2-CD1 3.35Å; V95-V330 HydrophobicContact CG1-CG1 3.77Å; V95-V330 HydrophobicContact CG1-CG2 4.32Å; V95-V330 HydrophobicContact CG2-CG1 4.11Å
96I97.4Very high91.6Very high4 Ų430.9 Ų30.92%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-82.4136.4169.1-157.5169.2000110.4M90 A98 P119 A220 Y222 A223 L224M90-I96 HydrophobicContact CE-CB 3.72Å; M90-I96 HydrophobicContact CE-CD1 4.45Å; M90-I96 HydrophobicContact CE-CG1 4.48Å; M90-I96 HydrophobicContact CE-CG2 4.4Å; M90-I96 HydrophobicContact SD-CB 4.15Å; M90-I96 HydrophobicContact SD-CD1 3.73Å; M90-I96 HydrophobicContact SD-CG1 4.32Å; I96-A98 HydrophobicContact CG2-CB 4.34Å; I96-A98 PolarHBondContact O-N 2.96Å; I96-P119 WeakPolarHBondContact CA-O 3.45Å; I96-P119 HydrophobicContact CG1-CB 4.31Å; I96-A220 HydrophobicContact CB-CB 4.04Å; I96-A220 HydrophobicContact CG2-CB 3.33Å; I96-Y222 PolarHBondContact N-O 3.13Å; I96-A223 HydrophobicContact CG2-CB 3.63Å; I96-A223 WeakPolarHBondContact O-CA 3.44Å; I96-L224 PolarHBondContact O-N 3.01Å
97L98.5Very high91.5Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-84103.6162.3-168.365.9000108.6L112 W116 P119 L120 S121 L224 I226L97-L112 HydrophobicContact CD2-CB 4.42Å; L97-L112 HydrophobicContact CD2-CD1 4.32Å; L97-L112 HydrophobicContact CD2-CD2 4.03Å; L97-W116 HydrophobicContact CB-CD2 3.8Å; L97-W116 VanDerWaalsContact CB-CE2 3.5Å; L97-W116 HydrophobicContact CB-CG 3.93Å; L97-W116 HydrophobicContact CB-CZ2 3.92Å; L97-W116 HydrophobicContact CD1-CD2 4.41Å; L97-W116 HydrophobicContact CD1-CE3 4.33Å; L97-W116 HydrophobicContact CD1-CZ3 4.42Å; L97-W116 HydrophobicContact CD2-CB 3.84Å; L97-W116 HydrophobicContact CD2-CD2 3.96Å; L97-W116 HydrophobicContact CD2-CE3 4.35Å; L97-W116 HydrophobicContact CD2-CG 3.74Å; L97-W116 HydrophobicContact CG-CD2 4.3Å; L97-W116 HydrophobicContact CG-CG 4.43Å; L97-P119 PolarHBondContact N-O 2.98Å; L97-L120 HydrophobicContact CB-CG 4.43Å; L97-L120 HydrophobicContact CD2-CD1 4.14Å; L97-L120 WeakPolarHBondContact O-CA 3.48Å; L97-S121 PolarHBondContact O-N 3.41Å; L97-L224 HydrophobicContact CD1-CB 4.03Å; L97-L224 HydrophobicContact CD1-CD2 3.88Å; L97-L224 HydrophobicContact CD1-CG 3.82Å; L97-I226 HydrophobicContact CD1-CD1 3.68Å; L97-I226 HydrophobicContact CD1-CG1 3.74Å; L97-I226 HydrophobicContact CD1-CG2 4.09Å; L97-I226 HydrophobicContact CD2-CD1 3.93Å; L97-I226 HydrophobicContact CG-CD1 4Å; L97-I226 HydrophobicContact CG-CG1 4.11Å
98A98.4Very high91.4Very high0 Ų030.7 Ų30.70%017%0.167CC..EExtended strand (participates in β ladder)trans-94.5126178.800000109.7I96 S121 A216 R217 L224 V225 I226I96-A98 HydrophobicContact CG2-CB 4.34Å; I96-A98 PolarHBondContact O-N 2.96Å; A98-S121 WeakPolarHBondContact CA-O 3.49Å; A98-A216 HydrophobicContact CB-CB 3.89Å; A98-R217 HydrophobicContact CB-CB 3.98Å; A98-L224 PolarHBondContact N-O 2.97Å; A98-V225 HydrophobicContact CB-CG2 4.06Å; A98-V225 CarbonylContact O-C 3.6Å; A98-V225 VanDerWaalsContact O-CA 3.3Å; A98-V225 WeakPolarHBondContact O-CA 3.34Å; A98-I226 PolarHBondContact O-N 3.43Å
99T98.4Very high91.6Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-142169.9178-163.50000111.9L109 L112 S121 V122 S123 A216 I226 V228T99-L109 HydrophobicContact CG2-CD2 4.46Å; T99-L112 HydrophobicContact CG2-CD1 4.04Å; T99-S121 PolarHBondContact N-O 3.1Å; T99-V122 HydrophobicContact CG2-CB 4.01Å; T99-V122 HydrophobicContact CG2-CG2 4Å; T99-V122 WeakPolarHBondContact O-CA 3.43Å; T99-S123 PolarHBondContact O-N 2.86Å; T99-A216 VanDerWaalsContact O-CB 3.3Å; T99-A216 WeakPolarHBondContact O-CB 3.45Å; T99-I226 WeakPolarHBondContact CA-O 3.48Å; T99-I226 WeakPolarHBondContact CB-O 3.48Å; T99-I226 PolarHBondContact OG1-O 2.93Å; T99-V228 HydrophobicContact CG2-CG2 4.2Å; T99-V228 VanDerWaalsContact OG1-CA 3.26Å; T99-V228 WeakPolarHBondContact OG1-CA 3Å; T99-V228 PolarHBondContact OG1-N 3.4Å; T99-V228 VanDerWaalsContact OG1-N 3.16Å
100H97.7Very high91.7Very high4 Ų427.8 Ų27.82%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-139.1146.8175.562.381.4000110.3S123 Y207 L212 R213 V228H100-S123 VanDerWaalsContact CA-O 3.23Å; H100-S123 WeakPolarHBondContact CA-O 3.42Å; H100-Y207 AromaticContact CE1-CE1 3.8Å; H100-Y207 AromaticContact ND1-CE1 3.42Å; H100-Y207 WeakPolarHBondContact ND1-CE1 3.41Å; H100-Y207 AromaticContact ND1-CZ 3.6Å; H100-Y207 PolarHBondContact ND1-OH 3.43Å; H100-L212 HydrophobicContact CB-CB 3.49Å; H100-L212 VanDerWaalsContact CB-CB 3.49Å; H100-L212 HydrophobicContact CB-CD1 4.1Å; H100-L212 HydrophobicContact CB-CG 4.35Å; H100-R213 PolarHBondContact NE2-NE 3.39Å; H100-V228 WeakPolarHBondContact O-CB 3.31Å
101A95.1Very high92Very high2 Ų226 Ų262%0.01715%0.147CC..EExtended strand (participates in β ladder)trans-144.2149-177.500000110.3N105 L106 V122 S123 V124 F125 Y207 V228A101-N105 HydrophobicContact CB-CB 4.34Å; A101-L106 HydrophobicContact CB-CD2 4.1Å; A101-V122 HydrophobicContact CB-CG2 4.39Å; A101-S123 PolarHBondContact N-O 3.02Å; A101-V124 CarbonylContact O-C 3.42Å; A101-V124 WeakPolarHBondContact O-CA 3.41Å; A101-F125 PolarHBondContact O-N 3.11Å; A101-Y207 PolarHBondContact N-OH 2.99Å; A101-V228 HydrophobicContact CB-CB 4.14Å; A101-V228 HydrophobicContact CB-CG1 3.94Å; A101-V228 HydrophobicContact CB-CG2 4.07Å
102S92.3Very high92.4Very high13 Ų1320.9 Ų20.99%0.09112%0.123CC..EExtended strand (participates in β ladder)trans-75.6164.5154.752.70000109.6D104 N105 F125S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 WeakPolarHBondContact CB-OD1 3.42Å; S102-D104 PolarHBondContact O-N 3.15Å; S102-D104 PolarHBondContact OG-OD1 3.05Å; S102-N105 PolarHBondContact O-N 3.01Å; S102-N105 PolarHBondContact OG-ND2 3.29Å; S102-F125 WeakPolarHBondContact CA-O 3.36Å
103V89.6Confident93.1Very high3 Ų317.9 Ų17.92%0.01810%0.103CC..G310 helixtrans-58.5-38.6-175.2-176.20000112.7N105 L106 V124 F125 A126 E131 L134 A135 L138V103-N105 VanDerWaalsContact C-N 3.29Å; V103-N105 PolarHBondContact O-N 3.49Å; V103-L106 HydrophobicContact CG1-CD1 4.39Å; V103-L106 WeakPolarHBondContact O-CB 3.46Å; V103-L106 WeakPolarHBondContact O-CG 3.5Å; V103-L106 PolarHBondContact O-N 3.16Å; V103-V124 HydrophobicContact CG2-CG1 4.04Å; V103-F125 PolarHBondContact N-O 3.32Å; V103-A126 HydrophobicContact CG2-CB 4.09Å; V103-E131 HydrophobicContact CG2-CB 4.04Å; V103-E131 HydrophobicContact CG2-CG 4.47Å; V103-L134 HydrophobicContact CG1-CB 4.42Å; V103-L134 HydrophobicContact CG1-CD2 3.64Å; V103-L134 HydrophobicContact CG1-CG 3.83Å; V103-A135 HydrophobicContact CG2-CB 3.99Å; V103-L138 HydrophobicContact CG1-CD1 3.72Å
104D85.9Confident93.6Very high52 Ų5222.9 Ų22.928%0.27812%0.124SC..G310 helixtrans-68.1-24177.160.4-41.3000113.7S102 A193S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 WeakPolarHBondContact CB-OD1 3.42Å; S102-D104 PolarHBondContact O-N 3.15Å; S102-D104 PolarHBondContact OG-OD1 3.05Å; D104-A193 WeakPolarHBondContact O-CB 3.44Å
105N89.9Confident93.8Very high31 Ų3123.4 Ų23.417%0.16613%0.126CC..G310 helixtrans-91.92.7179.6-76.6-60.3000113.8A101 S102 V103 L107 H108 V228A101-N105 HydrophobicContact CB-CB 4.34Å; S102-N105 PolarHBondContact O-N 3.01Å; S102-N105 PolarHBondContact OG-ND2 3.29Å; V103-N105 VanDerWaalsContact C-N 3.29Å; V103-N105 PolarHBondContact O-N 3.49Å; N105-L107 PolarHBondContact O-N 2.83Å; N105-H108 WeakPolarHBondContact O-CB 3.5Å; N105-H108 PolarHBondContact O-CD2 3.08Å; N105-H108 PolarHBondContact O-N 2.89Å; N105-V228 HydrophobicContact CB-CG1 4.04Å
106L90.2Very high93.8Very high2 Ų223.5 Ų23.51%0.0113%0.126CC..G310 helixtrans-64.4-19.9-179.9-74.3175.2000114.2A101 V103 H108 L109 V122 V124 L138 L189A101-L106 HydrophobicContact CB-CD2 4.1Å; V103-L106 HydrophobicContact CG1-CD1 4.39Å; V103-L106 WeakPolarHBondContact O-CB 3.46Å; V103-L106 WeakPolarHBondContact O-CG 3.5Å; V103-L106 PolarHBondContact O-N 3.16Å; L106-H108 PolarHBondContact O-N 2.84Å; L106-H108 VanDerWaalsContact O-N 3.16Å; L106-L109 HydrophobicContact CD2-CD1 3.79Å; L106-L109 HydrophobicContact CD2-CG 4.46Å; L106-L109 WeakPolarHBondContact O-CB 3.27Å; L106-L109 WeakPolarHBondContact O-CG 3.34Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.11Å; L106-V122 HydrophobicContact CD2-CG2 4.46Å; L106-V124 HydrophobicContact CD1-CG1 4.07Å; L106-V124 HydrophobicContact CD2-CG1 4.25Å; L106-V124 HydrophobicContact CD2-CG2 3.75Å; L106-V124 HydrophobicContact CG-CG1 4.39Å; L106-L138 HydrophobicContact CD1-CD1 3.93Å; L106-L189 HydrophobicContact CB-CD2 4.11Å
107L90.4Very high93.7Very high52 Ų5225.3 Ų25.327%0.27214%0.135SC..G310 helixtrans-56.7-31.217678.594.3000111.9N105 L109 S110 L189 A193N105-L107 PolarHBondContact O-N 2.83Å; L107-L109 PolarHBondContact O-N 3.44Å; L107-S110 WeakPolarHBondContact O-CB 3.42Å; L107-S110 PolarHBondContact O-N 3.17Å; L107-S110 PolarHBondContact O-OG 3Å; L107-L189 HydrophobicContact CB-CB 4.46Å; L107-A193 HydrophobicContact CD2-CB 3.39Å
108H92.1Very high93.6Very high64 Ų6425.5 Ų25.530%0.29614%0.137SC..G310 helixtrans-65.7-19.1-178.3-69.5-69.2000113.6N105 L106 S110 G111 L112 V228N105-H108 WeakPolarHBondContact O-CB 3.5Å; N105-H108 PolarHBondContact O-CD2 3.08Å; N105-H108 PolarHBondContact O-N 2.89Å; L106-H108 PolarHBondContact O-N 2.84Å; L106-H108 VanDerWaalsContact O-N 3.16Å; H108-S110 PolarHBondContact O-N 3.41Å; H108-G111 PolarHBondContact O-N 3.12Å; H108-G111 VanDerWaalsContact O-N 3.16Å; H108-L112 PolarHBondContact O-N 3.19Å; H108-V228 HydrophobicContact CB-CG1 4.32Å; H108-V228 HydrophobicContact CB-CG2 3.92Å; H108-V228 VanDerWaalsContact CB-O 3.29Å; H108-V228 WeakPolarHBondContact CB-O 3.45Å
109L93.6Very high93.5Very high0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-57.4-31173.9-69.3179.1000112.6T99 L106 L107 G111 L112 L113 L120 V122 M149 M155 F186 V228T99-L109 HydrophobicContact CG2-CD2 4.46Å; L106-L109 HydrophobicContact CD2-CD1 3.79Å; L106-L109 HydrophobicContact CD2-CG 4.46Å; L106-L109 WeakPolarHBondContact O-CB 3.27Å; L106-L109 WeakPolarHBondContact O-CG 3.34Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.11Å; L107-L109 PolarHBondContact O-N 3.44Å; L109-G111 PolarHBondContact O-N 3.15Å; L109-L112 HydrophobicContact CD2-CD1 4.24Å; L109-L112 PolarHBondContact O-N 2.72Å; L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 VanDerWaalsContact O-CG 3.26Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.17Å; L109-L120 HydrophobicContact CD2-CD2 4.08Å; L109-V122 HydrophobicContact CD1-CG1 4.19Å; L109-V122 HydrophobicContact CD2-CB 4.17Å; L109-V122 HydrophobicContact CD2-CG1 4.36Å; L109-V122 HydrophobicContact CD2-CG2 4.2Å; L109-M149 HydrophobicContact CD1-CE 4.4Å; L109-M155 HydrophobicContact CD1-CE 4.45Å; L109-F186 HydrophobicContact CB-CE1 4.41Å; L109-V228 HydrophobicContact CD2-CG2 4.24Å
110S91.8Very high93.5Very high53 Ų5325.9 Ų25.937%0.37114%0.139SC..Hα-helixtrans-54.7-49.6175.4560000112.3L107 H108 L112 L113 E114L107-S110 WeakPolarHBondContact O-CB 3.42Å; L107-S110 PolarHBondContact O-N 3.17Å; L107-S110 PolarHBondContact O-OG 3Å; H108-S110 PolarHBondContact O-N 3.41Å; S110-L112 VanDerWaalsContact C-N 3.32Å; S110-L112 PolarHBondContact O-N 2.85Å; S110-L113 PolarHBondContact O-N 3.38Å; S110-E114 PolarHBondContact O-N 2.95Å; S110-E114 VanDerWaalsContact O-N 3.13Å
111G91.8Very high93.5Very high18 Ų1825.8 Ų25.819%0.18614%0.139CC..Hα-helixtrans-68.7-30.9178.900000113H108 L109 R115H108-G111 PolarHBondContact O-N 3.12Å; H108-G111 VanDerWaalsContact O-N 3.16Å; L109-G111 PolarHBondContact O-N 3.15Å; G111-R115 WeakPolarHBondContact O-CB 3.05Å; G111-R115 WeakPolarHBondContact O-CG 3.08Å; G111-R115 PolarHBondContact O-N 3.35Å
112L96.1Very high93.7Very high1 Ų125.7 Ų25.71%0.00514%0.138CC..Hα-helixtrans-68.9-44.4173.4-65.3-174.9000111.8L97 T99 H108 L109 S110 E114 R115 W116 L120 I226 V228 M230L97-L112 HydrophobicContact CD2-CB 4.42Å; L97-L112 HydrophobicContact CD2-CD1 4.32Å; L97-L112 HydrophobicContact CD2-CD2 4.03Å; T99-L112 HydrophobicContact CG2-CD1 4.04Å; H108-L112 PolarHBondContact O-N 3.19Å; L109-L112 HydrophobicContact CD2-CD1 4.24Å; L109-L112 PolarHBondContact O-N 2.72Å; S110-L112 VanDerWaalsContact C-N 3.32Å; S110-L112 PolarHBondContact O-N 2.85Å; L112-E114 VanDerWaalsContact C-N 3.25Å; L112-E114 PolarHBondContact O-N 3.26Å; L112-R115 PolarHBondContact O-N 2.99Å; L112-R115 VanDerWaalsContact O-N 3.14Å; L112-W116 VanDerWaalsContact O-CB 3.27Å; L112-W116 WeakPolarHBondContact O-CB 3.32Å; L112-W116 PolarHBondContact O-N 2.56Å; L112-L120 HydrophobicContact CB-CD1 3.69Å; L112-L120 HydrophobicContact CD1-CD1 4.18Å; L112-I226 HydrophobicContact CD1-CD1 4.36Å; L112-I226 HydrophobicContact CD2-CD1 3.69Å; L112-V228 HydrophobicContact CD1-CG2 4.18Å; L112-M230 WeakPolarHBondContact CD2-O 3.39Å
113L94.6Very high94Very high21 Ų2125.1 Ų25.111%0.1113%0.134CC..Hα-helixtrans-64.1-31.5179-71.6170.5000113L109 S110 D148 M149 R152 V153 F186L109-L113 WeakPolarHBondContact O-CB 3.38Å; L109-L113 VanDerWaalsContact O-CG 3.26Å; L109-L113 WeakPolarHBondContact O-CG 3.23Å; L109-L113 PolarHBondContact O-N 3.17Å; S110-L113 PolarHBondContact O-N 3.38Å; L113-D148 HydrophobicContact CD2-CB 4.33Å; L113-M149 HydrophobicContact CD1-CG 4.11Å; L113-M149 HydrophobicContact CD1-SD 3.62Å; L113-R152 PolarHBondContact O-NH2 3.5Å; L113-V153 HydrophobicContact CD2-CG2 3.62Å; L113-F186 HydrophobicContact CD1-CZ 4.36Å
114E93.9Very high94.4Very high150 Ų15025 Ų2570%0.70113%0.133SC*.Hα-helixtrans-69-35.4174.6-173.3-175.116800111.9S110 L112S110-E114 PolarHBondContact O-N 2.95Å; S110-E114 VanDerWaalsContact O-N 3.13Å; L112-E114 VanDerWaalsContact C-N 3.25Å; L112-E114 PolarHBondContact O-N 3.26Å
115R95.4Very high94.9Very high22 Ų2222.6 Ų22.68%0.08312%0.12CC..Hα-helixtrans-106.5-19.9-167.9-69.1-73.6-107.8-104.64.7115.2G111 L112 V231 P232 M268 P269G111-R115 WeakPolarHBondContact O-CB 3.05Å; G111-R115 WeakPolarHBondContact O-CG 3.08Å; G111-R115 PolarHBondContact O-N 3.35Å; L112-R115 PolarHBondContact O-N 2.99Å; L112-R115 VanDerWaalsContact O-N 3.14Å; R115-V231 HydrophobicContact CB-CG1 4.13Å; R115-V231 HydrophobicContact CG-CG1 3.65Å; R115-P232 HydrophobicContact CB-CG 3.92Å; R115-P232 PolarHBondContact NE-O 3.33Å; R115-M268 PolarHBondContact NH2-O 3.34Å; R115-M268 VanDerWaalsContact NH2-O 3.07Å; R115-P269 VanDerWaalsContact NH2-C 3.34Å; R115-P269 PolarHBondContact NH2-O 3.39Å
116W97.2Very high95.1Very high1 Ų121.1 Ų21.10%0.00411%0.112CC..  trans-111.7114.6177.9-171.9-100.5000108.9V95 L97 L112 P119 R152 L224 P232 L236 W237 L240V95-W116 HydrophobicContact CB-CH2 4.34Å; V95-W116 HydrophobicContact CB-CZ2 4.2Å; V95-W116 HydrophobicContact CG1-CH2 4.05Å; V95-W116 HydrophobicContact CG1-CZ2 4.1Å; V95-W116 WeakPolarHBondContact O-CZ2 3.39Å; L97-W116 HydrophobicContact CB-CD2 3.8Å; L97-W116 VanDerWaalsContact CB-CE2 3.5Å; L97-W116 HydrophobicContact CB-CG 3.93Å; L97-W116 HydrophobicContact CB-CZ2 3.92Å; L97-W116 HydrophobicContact CD1-CD2 4.41Å; L97-W116 HydrophobicContact CD1-CE3 4.33Å; L97-W116 HydrophobicContact CD1-CZ3 4.42Å; L97-W116 HydrophobicContact CD2-CB 3.84Å; L97-W116 HydrophobicContact CD2-CD2 3.96Å; L97-W116 HydrophobicContact CD2-CE3 4.35Å; L97-W116 HydrophobicContact CD2-CG 3.74Å; L97-W116 HydrophobicContact CG-CD2 4.3Å; L97-W116 HydrophobicContact CG-CG 4.43Å; L112-W116 VanDerWaalsContact O-CB 3.27Å; L112-W116 WeakPolarHBondContact O-CB 3.32Å; L112-W116 PolarHBondContact O-N 2.56Å; W116-P119 PolarHBondContact NE1-O 3.48Å; W116-R152 PolarHBondContact O-NH1 2.97Å; W116-L224 HydrophobicContact CH2-CB 4.48Å; W116-L224 HydrophobicContact CH2-CD2 4.14Å; W116-L224 HydrophobicContact CZ3-CD2 3.99Å; W116-P232 HydrophobicContact CB-CG 4.49Å; W116-P232 HydrophobicContact CE3-CB 4.48Å; W116-P232 HydrophobicContact CE3-CG 4.24Å; W116-L236 HydrophobicContact CZ3-CB 4.38Å; W116-L236 HydrophobicContact CZ3-CD2 4.28Å; W116-L236 HydrophobicContact CZ3-CG 4.14Å; W116-W237 HydrophobicContact CD2-CB 3.85Å; W116-W237 HydrophobicContact CD2-CG 4.43Å; W116-W237 AromaticContact CE2-CD1 3.65Å; W116-W237 AromaticContact CE2-CG 3.97Å; W116-W237 HydrophobicContact CE3-CB 3.81Å; W116-W237 HydrophobicContact CH2-CB 3.87Å; W116-W237 HydrophobicContact CH2-CG 4.36Å; W116-W237 HydrophobicContact CZ2-CB 3.9Å; W116-W237 AromaticContact CZ2-CD1 3.41Å; W116-W237 VanDerWaalsContact CZ2-CD1 3.41Å; W116-W237 AromaticContact CZ2-CG 4Å; W116-W237 HydrophobicContact CZ2-CG 4Å; W116-W237 HydrophobicContact CZ3-CB 3.81Å; W116-W237 AromaticContact NE1-CD1 3.98Å; W116-L240 HydrophobicContact CH2-CD1 4.02Å; W116-L240 HydrophobicContact CZ3-CD1 4.41Å
117E95.5Very high95.2Very high43 Ų4321 Ų2120%0.20111%0.112CC..  trans-83.7-20-177.1-53.195.1138.900112.8R152 W237 R238E117-R152 VanDerWaalsContact C-NH1 3.32Å; E117-R152 WeakPolarHBondContact O-CD 3.42Å; E117-R152 PolarHBondContact O-NH1 3.48Å; E117-R152 VanDerWaalsContact O-NH1 3.16Å; E117-W237 HydrophobicContact CB-CE3 3.79Å; E117-W237 HydrophobicContact CB-CZ3 4.19Å; E117-R238 IonicContact OE1-CZ 3.42Å; E117-R238 IonicContact OE1-NE 3.13Å; E117-R238 IonicContact OE1-NH1 3.77Å; E117-R238 IonicContact OE1-NH2 3.06Å
118G95.8Very high95.2Very high4 Ų419.8 Ų19.84%0.04111%0.106CC..SBendtrans-83.8-167.5-175.600000116.2W237G118-W237 VanDerWaalsContact CA-CD2 3.48Å
119P97.2Very high95Very high7 Ų721.8 Ų21.85%0.04511%0.114CC..  trans-66.5137.4173.426.8-31.1000110.6T88 M90 D94 I96 L97 W116T88-P119 HydrophobicContact CG2-CB 3.88Å; M90-P119 HydrophobicContact CG-CB 4.1Å; M90-P119 HydrophobicContact CG-CG 4.12Å; D94-P119 HydrophobicContact CB-CG 3.97Å; I96-P119 WeakPolarHBondContact CA-O 3.45Å; I96-P119 HydrophobicContact CG1-CB 4.31Å; L97-P119 PolarHBondContact N-O 2.98Å; W116-P119 PolarHBondContact NE1-O 3.48Å
120L97.8Very high94.7Very high1 Ų127.5 Ų27.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-122.8138.1178-176.1156.6000108.5L97 L109 L112 V122 R152 V153 A154L97-L120 HydrophobicContact CB-CG 4.43Å; L97-L120 HydrophobicContact CD2-CD1 4.14Å; L97-L120 WeakPolarHBondContact O-CA 3.48Å; L109-L120 HydrophobicContact CD2-CD2 4.08Å; L112-L120 HydrophobicContact CB-CD1 3.69Å; L112-L120 HydrophobicContact CD1-CD1 4.18Å; L120-V122 HydrophobicContact CD2-CB 4.23Å; L120-V122 HydrophobicContact CD2-CG1 4.43Å; L120-R152 PolarHBondContact N-O 3.32Å; L120-V153 HydrophobicContact CB-CG2 4.31Å; L120-V153 HydrophobicContact CD2-CG1 3.88Å; L120-V153 HydrophobicContact CD2-CG2 4.17Å; L120-V153 CarbonylContact O-C 3.54Å; L120-V153 VanDerWaalsContact O-CA 3.28Å; L120-V153 WeakPolarHBondContact O-CA 3.34Å; L120-A154 PolarHBondContact O-N 2.96Å
121S98.2Very high94.6Very high2 Ų227.5 Ų27.51%0.01414%0.135CC..EExtended strand (participates in β ladder)trans-126.9129172.1179.60000110.9L97 A98 T99 A154 H156 A216L97-S121 PolarHBondContact O-N 3.41Å; A98-S121 WeakPolarHBondContact CA-O 3.49Å; T99-S121 PolarHBondContact N-O 3.1Å; S121-A154 WeakPolarHBondContact CA-O 3.45Å; S121-H156 PolarHBondContact OG-NE2 3.43Å; S121-A216 WeakPolarHBondContact CB-O 3.37Å; S121-A216 WeakPolarHBondContact OG-CA 3.43Å; S121-A216 PolarHBondContact OG-O 3.34Å
122V98.5Very high94.6Very high0 Ų026.7 Ų26.70%013%0.127CC..EExtended strand (participates in β ladder)trans-121.8125179.1600000111T99 A101 L106 L109 L120 V124 V153 A154 M155 H156T99-V122 HydrophobicContact CG2-CB 4.01Å; T99-V122 HydrophobicContact CG2-CG2 4Å; T99-V122 WeakPolarHBondContact O-CA 3.43Å; A101-V122 HydrophobicContact CB-CG2 4.39Å; L106-V122 HydrophobicContact CD2-CG2 4.46Å; L109-V122 HydrophobicContact CD1-CG1 4.19Å; L109-V122 HydrophobicContact CD2-CB 4.17Å; L109-V122 HydrophobicContact CD2-CG1 4.36Å; L109-V122 HydrophobicContact CD2-CG2 4.2Å; L120-V122 HydrophobicContact CD2-CB 4.23Å; L120-V122 HydrophobicContact CD2-CG1 4.43Å; V122-V124 HydrophobicContact CG2-CG2 4.13Å; V122-V153 HydrophobicContact CG1-CG1 4.02Å; V122-A154 PolarHBondContact N-O 2.93Å; V122-M155 HydrophobicContact CG1-CB 4.18Å; V122-M155 HydrophobicContact CG1-CE 3.98Å; V122-M155 HydrophobicContact CG1-CG 4.1Å; V122-M155 WeakPolarHBondContact O-CA 3.37Å; V122-H156 PolarHBondContact O-N 3.32Å
123S98.6Very high94.2Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-95.3112.7167.5-65.90000109.7T99 H100 A101 L212 L215 A216T99-S123 PolarHBondContact O-N 2.86Å; H100-S123 VanDerWaalsContact CA-O 3.23Å; H100-S123 WeakPolarHBondContact CA-O 3.42Å; A101-S123 PolarHBondContact N-O 3.02Å; S123-L212 VanDerWaalsContact CB-O 3.25Å; S123-L212 WeakPolarHBondContact CB-O 3.49Å; S123-L212 PolarHBondContact OG-O 3.41Å; S123-L215 WeakPolarHBondContact OG-CB 3.25Å; S123-L215 WeakPolarHBondContact OG-CG 3.32Å; S123-A216 WeakPolarHBondContact OG-CB 3.45Å; S123-A216 PolarHBondContact OG-N 2.94Å; S123-A216 VanDerWaalsContact OG-N 3.16Å
124V97.7Very high93.8Very high2 Ų232 Ų321%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-93127.1-178.7-170.60000109.6A101 V103 L106 V122 A135 M155 H156 L157 V158A101-V124 CarbonylContact O-C 3.42Å; A101-V124 WeakPolarHBondContact O-CA 3.41Å; V103-V124 HydrophobicContact CG2-CG1 4.04Å; L106-V124 HydrophobicContact CD1-CG1 4.07Å; L106-V124 HydrophobicContact CD2-CG1 4.25Å; L106-V124 HydrophobicContact CD2-CG2 3.75Å; L106-V124 HydrophobicContact CG-CG1 4.39Å; V122-V124 HydrophobicContact CG2-CG2 4.13Å; V124-A135 HydrophobicContact CG1-CB 4.34Å; V124-M155 HydrophobicContact CG2-CG 4Å; V124-M155 HydrophobicContact CG2-SD 4.31Å; V124-H156 PolarHBondContact N-O 3.49Å; V124-L157 CarbonylContact O-C 3.6Å; V124-L157 WeakPolarHBondContact O-CA 3.47Å; V124-V158 PolarHBondContact O-N 3.02Å
125F96.9Very high93.6Very high0 Ų025 Ų250%012%0.12CC..EExtended strand (participates in β ladder)trans-101.2127.2173.9-176.1-111.9000111.3Y79 A101 S102 V103 A127 V158 L201 V205 Y207 P208 L212Y79-F125 AromaticContact CD1-CE2 3.82Å; Y79-F125 HydrophobicContact CD1-CE2 3.82Å; Y79-F125 HydrophobicContact CD1-CZ 4.49Å; Y79-F125 AromaticContact CE1-CE2 3.73Å; Y79-F125 HydrophobicContact CE1-CE2 3.73Å; Y79-F125 AromaticContact CE1-CZ 4Å; Y79-F125 HydrophobicContact CE1-CZ 4Å; A101-F125 PolarHBondContact O-N 3.11Å; S102-F125 WeakPolarHBondContact CA-O 3.36Å; V103-F125 PolarHBondContact N-O 3.32Å; F125-A127 HydrophobicContact CD1-CB 4.5Å; F125-A127 HydrophobicContact CE1-CB 3.78Å; F125-A127 HydrophobicContact CZ-CB 4.33Å; F125-V158 WeakPolarHBondContact CA-O 3.37Å; F125-V158 HydrophobicContact CD2-CB 4.19Å; F125-V158 HydrophobicContact CD2-CG1 4.09Å; F125-V158 WeakPolarHBondContact CD2-O 3.39Å; F125-V158 HydrophobicContact CE2-CG1 4.42Å; F125-L201 HydrophobicContact CD1-CD1 4.46Å; F125-L201 HydrophobicContact CE1-CD1 3.68Å; F125-L201 HydrophobicContact CE1-CD2 4.43Å; F125-V205 HydrophobicContact CE1-CG1 4.48Å; F125-V205 HydrophobicContact CZ-CG1 3.74Å; F125-Y207 HydrophobicContact CB-CD2 4.24Å; F125-Y207 HydrophobicContact CB-CE2 3.71Å; F125-Y207 AromaticContact CD1-CD2 3.43Å; F125-Y207 HydrophobicContact CD1-CD2 3.43Å; F125-Y207 VanDerWaalsContact CD1-CD2 3.43Å; F125-Y207 AromaticContact CD1-CE2 3.76Å; F125-Y207 HydrophobicContact CD1-CE2 3.76Å; F125-Y207 HydrophobicContact CD1-CG 4.35Å; F125-Y207 HydrophobicContact CE1-CD2 4.1Å; F125-Y207 HydrophobicContact CG-CD2 4.08Å; F125-Y207 HydrophobicContact CG-CE2 4.06Å; F125-P208 HydrophobicContact CD2-CG 3.77Å; F125-P208 HydrophobicContact CE2-CG 3.76Å; F125-P208 HydrophobicContact CG-CG 4.46Å; F125-P208 HydrophobicContact CZ-CG 4.44Å; F125-L212 HydrophobicContact CB-CD1 3.81Å; F125-L212 HydrophobicContact CB-CD2 4.14Å; F125-L212 HydrophobicContact CG-CD1 4.43Å
126A94.3Very high93.3Very high0 Ų024.1 Ų24.10%012%0.117CC..  trans-116.5111.6173.200000109.6V103 E131 A132 L157 V158 C159 P160V103-A126 HydrophobicContact CG2-CB 4.09Å; A126-E131 HydrophobicContact CB-CB 3.74Å; A126-A132 HydrophobicContact CB-CB 3.96Å; A126-L157 HydrophobicContact CB-CD1 3.93Å; A126-V158 PolarHBondContact N-O 3.45Å; A126-C159 HydrophobicContact CB-CB 4.35Å; A126-C159 VanDerWaalsContact O-CA 3.29Å; A126-C159 WeakPolarHBondContact O-CA 3.4Å; A126-C159 WeakPolarHBondContact O-CB 3.44Å; A126-P160 WeakPolarHBondContact O-CD 3.32Å
127A92.2Very high92.8Very high0 Ų026 Ų260%013%0.129CC..  trans-79.6-19-176.500000113.5F125 E131 Y163 L201F125-A127 HydrophobicContact CD1-CB 4.5Å; F125-A127 HydrophobicContact CE1-CB 3.78Å; F125-A127 HydrophobicContact CZ-CB 4.33Å; A127-E131 WeakPolarHBondContact CA-OE2 3.49Å; A127-E131 WeakPolarHBondContact CB-OE2 3.48Å; A127-E131 PolarHBondContact N-OE2 2.64Å; A127-Y163 WeakPolarHBondContact O-CE2 3.46Å; A127-L201 HydrophobicContact CB-CB 4.22Å; A127-L201 HydrophobicContact CB-CD1 4.26Å; A127-L201 HydrophobicContact CB-CD2 3.95Å; A127-L201 HydrophobicContact CB-CG 4.36Å
128T90.2Very high92.4Very high26 Ų2624 Ų2416%0.1612%0.12CC..SBendtrans-125.6167.2-179.5680000111.8E130 E131 A132 T203T128-E130 VanDerWaalsContact C-N 3.29Å; T128-E130 WeakPolarHBondContact CB-OE2 3.42Å; T128-E131 PolarHBondContact O-N 3.36Å; T128-E131 WeakPolarHBondContact OG1-CB 3.49Å; T128-E131 VanDerWaalsContact OG1-CG 3.27Å; T128-E131 WeakPolarHBondContact OG1-CG 3.44Å; T128-E131 PolarHBondContact OG1-N 3.15Å; T128-A132 PolarHBondContact O-N 3.24Å; T128-T203 HydrophobicContact CG2-CG2 4.14Å
129K88.8Confident92.1Very high106 Ų10623.9 Ų23.946%0.46112%0.118SC..Hα-helixtrans-64.9-39.5175.4-178-177.8176.3-176.30110.7A132 Q133 Y163K129-A132 PolarHBondContact O-N 2.85Å; K129-Q133 WeakPolarHBondContact O-CG 3.35Å; K129-Q133 PolarHBondContact O-N 3.05Å; K129-Y163 HydrophobicContact CB-CD1 4.06Å; K129-Y163 HydrophobicContact CB-CE1 4.3Å; K129-Y163 HydrophobicContact CB-CG 4.37Å
130E86.9Confident91.7Very high120 Ų12027 Ų2756%0.56113%0.129SC*.Hα-helixtrans-65.9-42.3179.5-62.667-145.500110.6T128 A132 Q133 L134T128-E130 VanDerWaalsContact C-N 3.29Å; T128-E130 WeakPolarHBondContact CB-OE2 3.42Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 3.46Å; E130-Q133 PolarHBondContact O-N 2.77Å; E130-L134 VanDerWaalsContact O-CB 3.32Å; E130-L134 WeakPolarHBondContact O-CB 3.44Å; E130-L134 PolarHBondContact O-N 2.99Å
131E89.3Confident91.2Very high54 Ų5427.1 Ų27.125%0.25213%0.13SC..Hα-helixtrans-64-37.7172.7-77.7173.8-16300112.1V103 A126 A127 T128 L134 A135V103-E131 HydrophobicContact CG2-CB 4.04Å; V103-E131 HydrophobicContact CG2-CG 4.47Å; A126-E131 HydrophobicContact CB-CB 3.74Å; A127-E131 WeakPolarHBondContact CA-OE2 3.49Å; A127-E131 WeakPolarHBondContact CB-OE2 3.48Å; A127-E131 PolarHBondContact N-OE2 2.64Å; T128-E131 PolarHBondContact O-N 3.36Å; T128-E131 WeakPolarHBondContact OG1-CB 3.49Å; T128-E131 VanDerWaalsContact OG1-CG 3.27Å; T128-E131 WeakPolarHBondContact OG1-CG 3.44Å; T128-E131 PolarHBondContact OG1-N 3.15Å; E131-L134 PolarHBondContact O-N 2.82Å; E131-A135 VanDerWaalsContact O-CB 3.3Å; E131-A135 WeakPolarHBondContact O-CB 3.34Å; E131-A135 PolarHBondContact O-N 2.81Å
132A91.1Very high90.8Very high1 Ų127 Ų271%0.00813%0.129CC..Hα-helixtrans-65.8-43.917800000110.6A126 T128 K129 E130 A135 T136 C159A126-A132 HydrophobicContact CB-CB 3.96Å; T128-A132 PolarHBondContact O-N 3.24Å; K129-A132 PolarHBondContact O-N 2.85Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 3.46Å; A132-A135 PolarHBondContact O-N 3.45Å; A132-T136 WeakPolarHBondContact O-CG2 3.18Å; A132-T136 PolarHBondContact O-N 2.91Å; A132-T136 VanDerWaalsContact O-N 3.14Å; A132-C159 HydrophobicContact CB-CB 4.4Å
133Q87.6Confident90.3Very high91 Ų9127.1 Ų27.143%0.42513%0.13SC..Hα-helixtrans-59.4-50172.9-71.7174.9-19.900111.1K129 E130 A135 T136 V137K129-Q133 WeakPolarHBondContact O-CG 3.35Å; K129-Q133 PolarHBondContact O-N 3.05Å; E130-Q133 PolarHBondContact O-N 2.77Å; Q133-A135 VanDerWaalsContact C-N 3.34Å; Q133-A135 PolarHBondContact O-N 2.7Å; Q133-T136 PolarHBondContact O-N 3.42Å; Q133-T136 PolarHBondContact O-OG1 3.46Å; Q133-V137 WeakPolarHBondContact O-CG2 3.48Å; Q133-V137 PolarHBondContact O-N 2.86Å; Q133-V137 VanDerWaalsContact O-N 3.08Å
134L86Confident89.7Confident41 Ų4128 Ų2822%0.21514%0.136CC..Hα-helixtrans-57.5-44.8177.5177.660.2000112V103 E130 E131 T136 V137 L138 F176 V192V103-L134 HydrophobicContact CG1-CB 4.42Å; V103-L134 HydrophobicContact CG1-CD2 3.64Å; V103-L134 HydrophobicContact CG1-CG 3.83Å; E130-L134 VanDerWaalsContact O-CB 3.32Å; E130-L134 WeakPolarHBondContact O-CB 3.44Å; E130-L134 PolarHBondContact O-N 2.99Å; E131-L134 PolarHBondContact O-N 2.82Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.03Å; L134-V137 PolarHBondContact O-N 2.73Å; L134-L138 HydrophobicContact CD1-CD1 4.01Å; L134-L138 HydrophobicContact CD1-CG 4.03Å; L134-L138 HydrophobicContact CG-CD1 3.81Å; L134-L138 HydrophobicContact CG-CG 4.3Å; L134-L138 WeakPolarHBondContact O-CB 2.88Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.99Å; L134-F176 HydrophobicContact CD1-CE2 3.67Å; L134-F176 HydrophobicContact CD1-CZ 3.76Å; L134-V192 HydrophobicContact CD2-CG1 3.67Å
135A90.5Very high89.3Confident4 Ų430.4 Ų30.43%0.03315%0.147CC..Hα-helixtrans-60.3-40178.300000112.3V103 V124 E131 A132 Q133 L138 A139 L157V103-A135 HydrophobicContact CG2-CB 3.99Å; V124-A135 HydrophobicContact CG1-CB 4.34Å; E131-A135 VanDerWaalsContact O-CB 3.3Å; E131-A135 WeakPolarHBondContact O-CB 3.34Å; E131-A135 PolarHBondContact O-N 2.81Å; A132-A135 PolarHBondContact O-N 3.45Å; Q133-A135 VanDerWaalsContact C-N 3.34Å; Q133-A135 PolarHBondContact O-N 2.7Å; A135-L138 PolarHBondContact O-N 2.83Å; A135-A139 WeakPolarHBondContact O-CB 3.2Å; A135-A139 PolarHBondContact O-N 2.98Å; A135-L157 HydrophobicContact CB-CD1 3.74Å
136T89.8Confident89.1Confident3 Ų330.4 Ų30.42%0.01815%0.147CC..Hα-helixtrans-67.3-39.4176.163.60000112.9L67 A132 Q133 L134 A139 Y140 L157 A165 A166L67-T136 HydrophobicContact CD1-CG2 3.88Å; L67-T136 HydrophobicContact CD2-CG2 3.61Å; L67-T136 HydrophobicContact CG-CG2 4.42Å; A132-T136 WeakPolarHBondContact O-CG2 3.18Å; A132-T136 PolarHBondContact O-N 2.91Å; A132-T136 VanDerWaalsContact O-N 3.14Å; Q133-T136 PolarHBondContact O-N 3.42Å; Q133-T136 PolarHBondContact O-OG1 3.46Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.03Å; T136-A139 PolarHBondContact O-N 2.72Å; T136-Y140 WeakPolarHBondContact O-CB 3.42Å; T136-Y140 PolarHBondContact O-N 3.36Å; T136-L157 HydrophobicContact CG2-CD2 3.96Å; T136-A165 HydrophobicContact CG2-CB 3.94Å; T136-A166 PolarHBondContact OG1-O 3.31Å
137V86.4Confident88.9Confident42 Ų4234.1 Ų34.126%0.25517%0.171SC..Hα-helixtrans-66.1-41.5175.6174.50000110.5Q133 L134 Y140 A141 P168 F176Q133-V137 WeakPolarHBondContact O-CG2 3.48Å; Q133-V137 PolarHBondContact O-N 2.86Å; Q133-V137 VanDerWaalsContact O-N 3.08Å; L134-V137 PolarHBondContact O-N 2.73Å; V137-Y140 WeakPolarHBondContact O-CB 3.4Å; V137-Y140 PolarHBondContact O-N 3.27Å; V137-A141 WeakPolarHBondContact O-CB 3.34Å; V137-A141 PolarHBondContact O-N 3.18Å; V137-P168 HydrophobicContact CG2-CB 4.21Å; V137-P168 HydrophobicContact CG2-CG 4.39Å; V137-F176 HydrophobicContact CG1-CB 3.66Å; V137-F176 HydrophobicContact CG1-CD1 4.43Å; V137-F176 HydrophobicContact CG1-CD2 3.47Å; V137-F176 VanDerWaalsContact CG1-CD2 3.47Å; V137-F176 HydrophobicContact CG1-CE2 4.24Å; V137-F176 HydrophobicContact CG1-CG 3.59Å
138L86.9Confident88.9Confident1 Ų137.9 Ų37.91%0.00519%0.191CC..Hα-helixtrans-64.4-45176.3-73.9170.6000112V103 L106 L134 A135 Y140 A141 L142 F176 L189V103-L138 HydrophobicContact CG1-CD1 3.72Å; L106-L138 HydrophobicContact CD1-CD1 3.93Å; L134-L138 HydrophobicContact CD1-CD1 4.01Å; L134-L138 HydrophobicContact CD1-CG 4.03Å; L134-L138 HydrophobicContact CG-CD1 3.81Å; L134-L138 HydrophobicContact CG-CG 4.3Å; L134-L138 WeakPolarHBondContact O-CB 2.88Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.99Å; A135-L138 PolarHBondContact O-N 2.83Å; L138-Y140 VanDerWaalsContact C-N 3.25Å; L138-Y140 PolarHBondContact O-N 3.03Å; L138-A141 PolarHBondContact O-N 3.23Å; L138-L142 VanDerWaalsContact O-CB 3.26Å; L138-L142 WeakPolarHBondContact O-CB 3.42Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.33Å; L138-L142 PolarHBondContact O-N 3.36Å; L138-F176 HydrophobicContact CD2-CD1 4.15Å; L138-F176 HydrophobicContact CD2-CE1 3.32Å; L138-F176 HydrophobicContact CD2-CZ 3.68Å; L138-F176 HydrophobicContact CG-CE1 4.35Å; L138-F176 HydrophobicContact CG-CZ 4.36Å; L138-L189 HydrophobicContact CD1-CD2 3.58Å; L138-L189 HydrophobicContact CD2-CD1 4.44Å; L138-L189 HydrophobicContact CD2-CD2 3.42Å; L138-L189 VanDerWaalsContact CD2-CD2 3.42Å; L138-L189 HydrophobicContact CD2-CG 3.81Å; L138-L189 HydrophobicContact CG-CD2 4.12Å
139A89.8Confident89.1Confident0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-57.4-41.3174.400000111.5L63 L85 A135 T136 S143 M155L63-A139 HydrophobicContact CD1-CB 3.77Å; L85-A139 HydrophobicContact CD1-CB 4.49Å; A135-A139 WeakPolarHBondContact O-CB 3.2Å; A135-A139 PolarHBondContact O-N 2.98Å; T136-A139 PolarHBondContact O-N 2.72Å; A139-S143 VanDerWaalsContact O-CB 3.28Å; A139-S143 WeakPolarHBondContact O-CB 3.37Å; A139-S143 PolarHBondContact O-N 2.64Å; A139-S143 PolarHBondContact O-OG 3.09Å; A139-M155 HydrophobicContact CB-SD 3.56Å; A139-M155 VanDerWaalsContact CB-SD 3.56Å
140Y87.9Confident89.2Confident74 Ų7433.7 Ų33.729%0.2917%0.17SC..Hα-helixtrans-66.5-45.3175.3-179-86.7000112.9K60 T136 V137 L138 S143 S144K60-Y140 HydrophobicContact CB-CE2 4.4Å; K60-Y140 HydrophobicContact CD-CD2 4.47Å; K60-Y140 HydrophobicContact CD-CE2 3.53Å; K60-Y140 VanDerWaalsContact CE-CE2 3.43Å; K60-Y140 WeakPolarHBondContact CE-OH 3.36Å; K60-Y140 HydrophobicContact CG-CD2 3.98Å; K60-Y140 HydrophobicContact CG-CE2 3.49Å; K60-Y140 VanDerWaalsContact CG-CE2 3.49Å; K60-Y140 PolarHBondContact NZ-OH 2.8Å; T136-Y140 WeakPolarHBondContact O-CB 3.42Å; T136-Y140 PolarHBondContact O-N 3.36Å; V137-Y140 WeakPolarHBondContact O-CB 3.4Å; V137-Y140 PolarHBondContact O-N 3.27Å; L138-Y140 VanDerWaalsContact C-N 3.25Å; L138-Y140 PolarHBondContact O-N 3.03Å; Y140-S143 WeakPolarHBondContact CA-OG 3.19Å; Y140-S143 PolarHBondContact O-OG 3.23Å; Y140-S144 VanDerWaalsContact O-CB 3.29Å; Y140-S144 WeakPolarHBondContact O-CB 3.5Å; Y140-S144 PolarHBondContact O-N 3.41Å; Y140-S144 PolarHBondContact O-OG 2.96Å
141A87.7Confident89.4Confident2 Ų230.1 Ų30.12%0.01716%0.16CC..Hα-helixtrans-67.3-47.2-179.700000111.7V137 L138 S143 S144 H145 F176 V185V137-A141 WeakPolarHBondContact O-CB 3.34Å; V137-A141 PolarHBondContact O-N 3.18Å; L138-A141 PolarHBondContact O-N 3.23Å; A141-S143 PolarHBondContact O-N 3Å; A141-S144 PolarHBondContact O-N 2.95Å; A141-S144 VanDerWaalsContact O-N 3.13Å; A141-H145 PolarHBondContact O-CD2 3.1Å; A141-H145 VanDerWaalsContact O-CD2 3.28Å; A141-H145 PolarHBondContact O-N 3.33Å; A141-F176 HydrophobicContact CB-CD1 4.26Å; A141-V185 HydrophobicContact CB-CG1 4.17Å; A141-V185 HydrophobicContact CB-CG2 4.26Å
142L89.4Confident89.6Confident1 Ų129.6 Ų29.61%0.00516%0.156CC..Hα-helixtrans-59.1-47.9176.5-72.8167.4000110.6L138 S144 H145 C146 M149 M155 V185 F186 L189L138-L142 VanDerWaalsContact O-CB 3.26Å; L138-L142 WeakPolarHBondContact O-CB 3.42Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.33Å; L138-L142 PolarHBondContact O-N 3.36Å; L142-S144 VanDerWaalsContact C-N 3.29Å; L142-S144 PolarHBondContact O-N 3.19Å; L142-H145 PolarHBondContact O-N 3.24Å; L142-C146 WeakPolarHBondContact O-CA 3.45Å; L142-C146 WeakPolarHBondContact O-CB 3.43Å; L142-C146 PolarHBondContact O-N 3.1Å; L142-M149 HydrophobicContact CB-CE 4.1Å; L142-M149 HydrophobicContact CB-CG 4.16Å; L142-M149 HydrophobicContact CD1-CE 4.01Å; L142-M149 HydrophobicContact CD2-CG 4.31Å; L142-M155 HydrophobicContact CD1-CE 4.18Å; L142-V185 HydrophobicContact CD2-CG1 3.65Å; L142-V185 HydrophobicContact CG-CG1 3.96Å; L142-F186 HydrophobicContact CD2-CE1 4.42Å; L142-F186 HydrophobicContact CD2-CE2 4Å; L142-F186 HydrophobicContact CD2-CZ 3.92Å; L142-L189 HydrophobicContact CD2-CD1 4.3Å
143S87.5Confident89.8Confident1 Ų129.6 Ų29.61%0.00716%0.156CC..Hα-helixtrans-66.6-28.2176.257.90000113.7V59 A139 Y140 A141 R150V59-S143 VanDerWaalsContact CG1-CB 3.46Å; A139-S143 VanDerWaalsContact O-CB 3.28Å; A139-S143 WeakPolarHBondContact O-CB 3.37Å; A139-S143 PolarHBondContact O-N 2.64Å; A139-S143 PolarHBondContact O-OG 3.09Å; Y140-S143 WeakPolarHBondContact CA-OG 3.19Å; Y140-S143 PolarHBondContact O-OG 3.23Å; A141-S143 PolarHBondContact O-N 3Å; S143-R150 WeakPolarHBondContact O-CD 3.26Å; S143-R150 WeakPolarHBondContact O-CG 3.41Å; S143-R150 PolarHBondContact O-NH1 3.2Å
144S87Confident90.3Very high18 Ų1825.7 Ų25.713%0.12614%0.139CC..Hα-helixtrans-77.3-39.5178.5-62.70000112.3K60 Y140 A141 L142 R150K60-S144 WeakPolarHBondContact CE-OG 3.4Å; Y140-S144 VanDerWaalsContact O-CB 3.29Å; Y140-S144 WeakPolarHBondContact O-CB 3.5Å; Y140-S144 PolarHBondContact O-N 3.41Å; Y140-S144 PolarHBondContact O-OG 2.96Å; A141-S144 PolarHBondContact O-N 2.95Å; A141-S144 VanDerWaalsContact O-N 3.13Å; L142-S144 VanDerWaalsContact C-N 3.29Å; L142-S144 PolarHBondContact O-N 3.19Å; S144-R150 VanDerWaalsContact C-NH1 3.25Å; S144-R150 PolarHBondContact O-NH1 3.19Å
145H88.7Confident90.8Very high54 Ų5423.9 Ų23.925%0.2513%0.13CC..Hα-helixtrans-109-16.2-168.5-61.6-73.4000115A141 L142 P147 L179 R180 C182 V185A141-H145 PolarHBondContact O-CD2 3.1Å; A141-H145 VanDerWaalsContact O-CD2 3.28Å; A141-H145 PolarHBondContact O-N 3.33Å; L142-H145 PolarHBondContact O-N 3.24Å; H145-P147 WeakPolarHBondContact O-CD 3.34Å; H145-L179 PolarHBondContact CE1-O 3.03Å; H145-L179 PolarHBondContact NE2-O 3.26Å; H145-R180 PolarHBondContact ND1-O 3.36Å; H145-C182 WeakPolarHBondContact O-CB 3.47Å; H145-V185 HydrophobicContact CB-CG2 4.04Å
146C92.3Very high91.1Very high0 Ų024.5 Ų24.50%013%0.132CC..  trans-110.5106.4-178.1-58.40000111.7L142 D148 M149 R150 C182L142-C146 WeakPolarHBondContact O-CA 3.45Å; L142-C146 WeakPolarHBondContact O-CB 3.43Å; L142-C146 PolarHBondContact O-N 3.1Å; C146-D148 PolarHBondContact O-N 2.77Å; C146-M149 HydrophobicContact CB-CB 3.79Å; C146-M149 HydrophobicContact CB-CG 3.52Å; C146-M149 WeakPolarHBondContact O-CB 3.21Å; C146-M149 PolarHBondContact O-N 2.96Å; C146-R150 PolarHBondContact O-N 2.99Å; C146-C182 HydrophobicContact CB-CB 3.9Å; C146-C182 WeakPolarHBondContact CB-SG 3.5Å; C146-C182 WeakPolarHBondContact SG-CA 3.36Å; C146-C182 WeakPolarHBondContact SG-CB 3.42Å; C146-C182 CovalentContact SG-SG 2.04Å; C146-C182 PolarHBondContact SG-SG 3.16Å
147P91.7Very high91.5Very high78 Ų7824.4 Ų24.451%0.50613%0.131SC..Hα-helixtrans-58.1-43.4178-24.934.2000113.7H145 M149 R150 A151H145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-M149 VanDerWaalsContact C-N 3.32Å; P147-M149 PolarHBondContact O-N 3.38Å; P147-R150 WeakPolarHBondContact O-CB 3.46Å; P147-R150 PolarHBondContact O-N 3.36Å; P147-R150 VanDerWaalsContact O-N 3.11Å; P147-A151 WeakPolarHBondContact O-CB 3.43Å; P147-A151 PolarHBondContact O-N 3.5Å
148D91.8Very high92.1Very high79 Ų7922.4 Ų22.442%0.42212%0.119SC..Hα-helixtrans-60-40.8178.1-78.8-63.6000112.9L113 C146 R150 A151 R152L113-D148 HydrophobicContact CD2-CB 4.33Å; C146-D148 PolarHBondContact O-N 2.77Å; D148-R150 VanDerWaalsContact C-N 3.31Å; D148-R150 PolarHBondContact O-N 2.64Å; D148-A151 PolarHBondContact O-N 3.03Å; D148-R152 PolarHBondContact O-N 2.97Å; D148-R152 IonicContact OD1-CZ 3.5Å; D148-R152 IonicContact OD1-NE 2.77Å; D148-R152 PolarHBondContact OD1-NE 3.31Å; D148-R152 IonicContact OD1-NH2 3.59Å; D148-R152 PolarHBondContact OD1-NH2 3.37Å
149M93.3Very high92.5Very high1 Ų122.3 Ų22.31%0.00512%0.119CC..Hα-helixtrans-59.6-43.1175.1-70.2-69.1-53.300111.2L86 L109 L113 L142 C146 P147 V153 M155L86-M149 HydrophobicContact CD1-CE 4.09Å; L109-M149 HydrophobicContact CD1-CE 4.4Å; L113-M149 HydrophobicContact CD1-CG 4.11Å; L113-M149 HydrophobicContact CD1-SD 3.62Å; L142-M149 HydrophobicContact CB-CE 4.1Å; L142-M149 HydrophobicContact CB-CG 4.16Å; L142-M149 HydrophobicContact CD1-CE 4.01Å; L142-M149 HydrophobicContact CD2-CG 4.31Å; C146-M149 HydrophobicContact CB-CB 3.79Å; C146-M149 HydrophobicContact CB-CG 3.52Å; C146-M149 WeakPolarHBondContact O-CB 3.21Å; C146-M149 PolarHBondContact O-N 2.96Å; P147-M149 VanDerWaalsContact C-N 3.32Å; P147-M149 PolarHBondContact O-N 3.38Å; M149-V153 HydrophobicContact CE-CB 4.01Å; M149-V153 HydrophobicContact CE-CG1 3.76Å; M149-V153 HydrophobicContact CE-CG2 4.17Å; M149-V153 WeakPolarHBondContact O-CB 3.23Å; M149-V153 PolarHBondContact O-N 3.41Å; M149-V153 HydrophobicContact SD-CB 4.31Å; M149-V153 HydrophobicContact SD-CG1 4.44Å; M149-V153 HydrophobicContact SD-CG2 3.81Å; M149-M155 HydrophobicContact CE-CE 3.68Å
150R91.2Very high92.8Very high43 Ų4322.4 Ų22.416%0.16212%0.119CC..Hα-helixtrans-67.8-39.4177.7-70.1-168.6-70.1-87.36112.8R54 V59 S143 S144 C146 P147 D148R54-R150 PolarHBondContact NH2-O 3.21Å; V59-R150 HydrophobicContact CG2-CG 4.35Å; S143-R150 WeakPolarHBondContact O-CD 3.26Å; S143-R150 WeakPolarHBondContact O-CG 3.41Å; S143-R150 PolarHBondContact O-NH1 3.2Å; S144-R150 VanDerWaalsContact C-NH1 3.25Å; S144-R150 PolarHBondContact O-NH1 3.19Å; C146-R150 PolarHBondContact O-N 2.99Å; P147-R150 WeakPolarHBondContact O-CB 3.46Å; P147-R150 PolarHBondContact O-N 3.36Å; P147-R150 VanDerWaalsContact O-N 3.11Å; D148-R150 VanDerWaalsContact C-N 3.31Å; D148-R150 PolarHBondContact O-N 2.64Å
151A90.9Very high93.2Very high44 Ų4420.7 Ų20.736%0.36412%0.118SC..Hα-helixtrans-76.4-43.4-172.500000111.6P147 D148P147-A151 WeakPolarHBondContact O-CB 3.43Å; P147-A151 PolarHBondContact O-N 3.5Å; D148-A151 PolarHBondContact O-N 3.03Å
152R93.8Very high93.5Very high44 Ų4427.6 Ų27.617%0.16614%0.144CC..Hα-helixtrans-120.7-11.7-162-55.7-172.9-68.4124.8-7.4115T88 L113 W116 E117 L120 D148T88-R152 WeakPolarHBondContact CB-O 3.22Å; T88-R152 PolarHBondContact OG1-O 3.16Å; L113-R152 PolarHBondContact O-NH2 3.5Å; W116-R152 PolarHBondContact O-NH1 2.97Å; E117-R152 VanDerWaalsContact C-NH1 3.32Å; E117-R152 WeakPolarHBondContact O-CD 3.42Å; E117-R152 PolarHBondContact O-NH1 3.48Å; E117-R152 VanDerWaalsContact O-NH1 3.16Å; L120-R152 PolarHBondContact N-O 3.32Å; D148-R152 PolarHBondContact O-N 2.97Å; D148-R152 IonicContact OD1-CZ 3.5Å; D148-R152 IonicContact OD1-NE 2.77Å; D148-R152 PolarHBondContact OD1-NE 3.31Å; D148-R152 IonicContact OD1-NH2 3.59Å; D148-R152 PolarHBondContact OD1-NH2 3.37Å
153V96Very high93.6Very high1 Ų130 Ų301%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-105.9122.4-171.4-176.30000113.2L86 K87 L113 L120 V122 M149L86-V153 WeakPolarHBondContact CB-O 3.32Å; K87-V153 VanDerWaalsContact O-O 3.08Å; L113-V153 HydrophobicContact CD2-CG2 3.62Å; L120-V153 HydrophobicContact CB-CG2 4.31Å; L120-V153 HydrophobicContact CD2-CG1 3.88Å; L120-V153 HydrophobicContact CD2-CG2 4.17Å; L120-V153 CarbonylContact O-C 3.54Å; L120-V153 VanDerWaalsContact O-CA 3.28Å; L120-V153 WeakPolarHBondContact O-CA 3.34Å; V122-V153 HydrophobicContact CG1-CG1 4.02Å; M149-V153 HydrophobicContact CE-CB 4.01Å; M149-V153 HydrophobicContact CE-CG1 3.76Å; M149-V153 HydrophobicContact CE-CG2 4.17Å; M149-V153 WeakPolarHBondContact O-CB 3.23Å; M149-V153 PolarHBondContact O-N 3.41Å; M149-V153 HydrophobicContact SD-CB 4.31Å; M149-V153 HydrophobicContact SD-CG1 4.44Å; M149-V153 HydrophobicContact SD-CG2 3.81Å
154A96.8Very high93.8Very high9 Ų936 Ų367%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-86.3137.7157.700000109.7L86 T88 L120 S121 V122L86-A154 WeakPolarHBondContact O-CA 3.39Å; T88-A154 HydrophobicContact CG2-CB 3.86Å; L120-A154 PolarHBondContact O-N 2.96Å; S121-A154 WeakPolarHBondContact CA-O 3.45Å; V122-A154 PolarHBondContact N-O 2.93Å
155M97.3Very high94Very high3 Ų335.5 Ų35.52%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-133.3130.9-179.8-176.8176.6-73.800109.7G84 L85 L86 L109 V122 V124 A139 L142 M149G84-M155 CarbonylContact C-O 3.54Å; L85-M155 WeakPolarHBondContact CB-O 3.33Å; L85-M155 PolarHBondContact N-O 3.3Å; L86-M155 HydrophobicContact CB-CB 3.81Å; L86-M155 HydrophobicContact CD1-CB 3.97Å; L86-M155 HydrophobicContact CD1-CE 4.31Å; L86-M155 HydrophobicContact CD1-SD 4.35Å; L86-M155 HydrophobicContact CG-CB 3.84Å; L86-M155 PolarHBondContact N-O 2.93Å; L86-M155 PolarHBondContact O-N 2.74Å; L109-M155 HydrophobicContact CD1-CE 4.45Å; V122-M155 HydrophobicContact CG1-CB 4.18Å; V122-M155 HydrophobicContact CG1-CE 3.98Å; V122-M155 HydrophobicContact CG1-CG 4.1Å; V122-M155 WeakPolarHBondContact O-CA 3.37Å; V124-M155 HydrophobicContact CG2-CG 4Å; V124-M155 HydrophobicContact CG2-SD 4.31Å; A139-M155 HydrophobicContact CB-SD 3.56Å; A139-M155 VanDerWaalsContact CB-SD 3.56Å; L142-M155 HydrophobicContact CD1-CE 4.18Å; M149-M155 HydrophobicContact CE-CE 3.68Å
156H97.9Very high93.8Very high17 Ų1735.4 Ų35.48%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-121.5152.1176.9-48-105.2000108.9Y82 G84 S121 V122 V124 L215Y82-H156 WeakPolarHBondContact O-CA 3.31Å; G84-H156 PolarHBondContact N-ND1 2.92Å; S121-H156 PolarHBondContact OG-NE2 3.43Å; V122-H156 PolarHBondContact O-N 3.32Å; V124-H156 PolarHBondContact N-O 3.49Å; H156-L215 HydrophobicContact CB-CD1 4.27Å; H156-L215 HydrophobicContact CB-CD2 3.52Å; H156-L215 HydrophobicContact CB-CG 3.76Å
157L97.9Very high93.1Very high0 Ų038.3 Ų38.30%020%0.204CC..EExtended strand (participates in β ladder)trans-121.8133.317617266.9000109.7Y82 L85 V124 A126 A135 T136 A165Y82-L157 HydrophobicContact CD2-CD2 4.27Å; Y82-L157 HydrophobicContact CD2-CG 4.33Å; Y82-L157 PolarHBondContact N-O 2.82Å; Y82-L157 PolarHBondContact O-N 2.95Å; L85-L157 HydrophobicContact CD1-CB 3.55Å; L85-L157 HydrophobicContact CD1-CD2 4.31Å; L85-L157 HydrophobicContact CG-CB 4.37Å; V124-L157 CarbonylContact O-C 3.6Å; V124-L157 WeakPolarHBondContact O-CA 3.47Å; A126-L157 HydrophobicContact CB-CD1 3.93Å; A135-L157 HydrophobicContact CB-CD1 3.74Å; T136-L157 HydrophobicContact CG2-CD2 3.96Å; L157-A165 HydrophobicContact CD2-CB 3.53Å
158V98.2Very high92.2Very high0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-124.8133173.4-177.30000108.4Y79 R80 V81 V124 F125 A126 P208 L211 L212 L215Y79-V158 HydrophobicContact CD1-CG1 4.25Å; Y79-V158 HydrophobicContact CG-CG1 4.29Å; R80-V158 WeakPolarHBondContact O-CA 3.5Å; V81-V158 HydrophobicContact CG1-CG2 4.31Å; V81-V158 HydrophobicContact CG2-CG1 4.44Å; V81-V158 HydrophobicContact CG2-CG2 4.18Å; V124-V158 PolarHBondContact O-N 3.02Å; F125-V158 WeakPolarHBondContact CA-O 3.37Å; F125-V158 HydrophobicContact CD2-CB 4.19Å; F125-V158 HydrophobicContact CD2-CG1 4.09Å; F125-V158 WeakPolarHBondContact CD2-O 3.39Å; F125-V158 HydrophobicContact CE2-CG1 4.42Å; A126-V158 PolarHBondContact N-O 3.45Å; V158-P208 HydrophobicContact CG1-CG 4.38Å; V158-L211 HydrophobicContact CG1-CD2 4Å; V158-L212 HydrophobicContact CB-CD2 3.72Å; V158-L212 HydrophobicContact CG1-CD2 4.39Å; V158-L212 HydrophobicContact CG2-CD2 3.55Å; V158-L215 HydrophobicContact CG2-CD2 3.5Å; V158-L215 VanDerWaalsContact CG2-CD2 3.5Å
159C96.3Very high90.9Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-140.4162.2175.158.50000110Y79 R80 A126 A132Y79-C159 CarbonylContact C-O 3.59Å; Y79-C159 WeakPolarHBondContact CA-O 3.35Å; R80-C159 PolarHBondContact N-O 3.27Å; R80-C159 PolarHBondContact O-N 2.78Å; A126-C159 HydrophobicContact CB-CB 4.35Å; A126-C159 VanDerWaalsContact O-CA 3.29Å; A126-C159 WeakPolarHBondContact O-CA 3.4Å; A126-C159 WeakPolarHBondContact O-CB 3.44Å; A132-C159 HydrophobicContact CB-CB 4.4Å
160P96.3Very high89.1Confident2 Ų239.2 Ų39.21%0.01321%0.212CC..EExtended strand (participates in β ladder)trans-49.8142.1170.7-31.636.3000112.7A126 R162 Y163 V205A126-P160 WeakPolarHBondContact O-CD 3.32Å; P160-R162 HydrophobicContact CB-CG 4.06Å; P160-R162 PolarHBondContact O-N 3.21Å; P160-Y163 HydrophobicContact CB-CD2 3.78Å; P160-Y163 HydrophobicContact CB-CE2 3.93Å; P160-Y163 HydrophobicContact CG-CD2 3.85Å; P160-Y163 HydrophobicContact CG-CE2 3.8Å; P160-Y163 PolarHBondContact O-N 3.32Å; P160-V205 HydrophobicContact CG-CB 4.47Å; P160-V205 HydrophobicContact CG-CG1 3.77Å; P160-V205 HydrophobicContact CG-CG2 3.92Å
161S95.4Very high87.3Confident37 Ų3746.9 Ų46.926%0.25924%0.241SC..THydrogen-bonded Turntrans-56.9-27.4-174.6570000114.7G77 D78 R80 Y163G77-S161 WeakPolarHBondContact O-CB 3.32Å; G77-S161 PolarHBondContact O-OG 3.13Å; D78-S161 PolarHBondContact O-N 2.74Å; D78-S161 PolarHBondContact O-OG 3.48Å; R80-S161 PolarHBondContact NE-O 2.89Å; R80-S161 PolarHBondContact NH2-O 2.98Å; S161-Y163 PolarHBondContact O-N 2.77Å
162R93.1Very high85.5Confident148 Ų14851.9 Ų51.956%0.55826%0.256SS*.THydrogen-bonded Turntrans-70.2-12.8175.164.2174.3177.9-87.2-1.5114.9P160P160-R162 HydrophobicContact CB-CG 4.06Å; P160-R162 PolarHBondContact O-N 3.21Å
163Y92.5Very high83.4Confident52 Ų5254.4 Ų54.420%0.20428%0.278CS..  trans-107.4149.2177.6-54.1-41.9000110.2R80 A127 K129 P160 S161R80-Y163 WeakPolarHBondContact CD-O 3.44Å; R80-Y163 PolarHBondContact NE-O 3.3Å; A127-Y163 WeakPolarHBondContact O-CE2 3.46Å; K129-Y163 HydrophobicContact CB-CD1 4.06Å; K129-Y163 HydrophobicContact CB-CE1 4.3Å; K129-Y163 HydrophobicContact CB-CG 4.37Å; P160-Y163 HydrophobicContact CB-CD2 3.78Å; P160-Y163 HydrophobicContact CB-CE2 3.93Å; P160-Y163 HydrophobicContact CG-CD2 3.85Å; P160-Y163 HydrophobicContact CG-CE2 3.8Å; P160-Y163 PolarHBondContact O-N 3.32Å; S161-Y163 PolarHBondContact O-N 2.77Å
164E91.6Very high81.7Confident126 Ų12656.3 Ų56.359%0.58930%0.298SS*.  trans-122.5129.6171-70.5-177.1-175.200108.3R80 Y82R80-E164 IonicContact CZ-OE1 3.46Å; R80-E164 IonicContact NH2-OE1 3.6Å; Y82-E164 WeakPolarHBondContact OH-CA 3.41Å
165A90.6Very high80.1Confident7 Ų761.8 Ų61.86%0.05832%0.322CS..  trans-75.2134.4171.200000108.9L67 Y82 T136 L157L67-A165 HydrophobicContact CD2-CB 3.65Å; Y82-A165 HydrophobicContact CD2-CB 4.09Å; Y82-A165 HydrophobicContact CE1-CB 4.18Å; Y82-A165 HydrophobicContact CE2-CB 3.58Å; Y82-A165 PolarHBondContact OH-N 3.3Å; T136-A165 HydrophobicContact CG2-CB 3.94Å; L157-A165 HydrophobicContact CD2-CB 3.53Å
166A85.3Confident78.8Confident53 Ų5362.9 Ų62.944%0.43833%0.327SS..  trans-108156.9-178.700000110.8T136T136-A166 PolarHBondContact OG1-O 3.31Å
167V78.3Confident77.3Confident60 Ų6064.7 Ų64.736%0.36434%0.344SS..PPolyproline II helixtrans-60.9133.9167.9178.30000108.5R64 L67 D169R64-V167 HydrophobicContact CB-CG2 4.47Å; R64-V167 HydrophobicContact CG-CG1 3.76Å; R64-V167 HydrophobicContact CG-CG2 4.34Å; L67-V167 HydrophobicContact CB-CG2 4.05Å; L67-V167 HydrophobicContact CD1-CG2 4.43Å; V167-D169 PolarHBondContact O-N 2.94Å
168P71.1Confident76.1Confident24 Ų2470.7 Ų70.716%0.15638%0.376CS..PPolyproline II helixtrans-53.7126.7173.4-26.334.4000111V137 P170V137-P168 HydrophobicContact CG2-CB 4.21Å; V137-P168 HydrophobicContact CG2-CG 4.39Å; P168-P170 VanDerWaalsContact O-CD 3.24Å; P168-P170 WeakPolarHBondContact O-CD 3.41Å
169D66Low75.4Confident53 Ų5371.2 Ų71.228%0.28338%0.379SS..PPolyproline II helixtrans-67.3118.5176.4-169.8-26.8000108.6V167 R171 E172V167-D169 PolarHBondContact O-N 2.94Å; D169-R171 PolarHBondContact O-N 2.86Å; D169-R171 VanDerWaalsContact O-N 3.08Å; D169-R171 WeakPolarHBondContact OD1-CA 3.27Å; D169-R171 VanDerWaalsContact OD1-CB 3.3Å; D169-R171 WeakPolarHBondContact OD1-CB 3.11Å; D169-R171 IonicContact OD1-CZ 3.02Å; D169-R171 PolarHBondContact OD1-N 3.33Å; D169-R171 IonicContact OD1-NE 2.63Å; D169-R171 PolarHBondContact OD1-NE 3.3Å; D169-R171 VanDerWaalsContact OD1-NE 3.14Å; D169-R171 IonicContact OD1-NH2 2.94Å; D169-R171 IonicContact OD2-CZ 2.64Å; D169-R171 IonicContact OD2-NE 3.14Å; D169-R171 IonicContact OD2-NH2 3.55Å; D169-R171 PolarHBondContact OD2-NH2 3.22Å; D169-E172 HydrophobicContact CB-CB 4.12Å; D169-E172 HydrophobicContact CB-CG 3.92Å; D169-E172 PolarHBondContact O-N 2.89Å; D169-E172 VanDerWaalsContact O-N 3.12Å
170P55.7Low74.8Confident101 Ų10180.1 Ų80.166%0.65641%0.412SS*.THydrogen-bonded Turntrans-60.1-19.4177-20.632.5000114P168P168-P170 VanDerWaalsContact O-CD 3.24Å; P168-P170 WeakPolarHBondContact O-CD 3.41Å
171R51.4Low74.5Confident204 Ų20482 Ų8277%0.7743%0.425SS*.THydrogen-bonded Turntrans-101.40-178-53.1166.1-63.3168.68.8113.1D169 P173D169-R171 PolarHBondContact O-N 2.86Å; D169-R171 VanDerWaalsContact O-N 3.08Å; D169-R171 WeakPolarHBondContact OD1-CA 3.27Å; D169-R171 VanDerWaalsContact OD1-CB 3.3Å; D169-R171 WeakPolarHBondContact OD1-CB 3.11Å; D169-R171 IonicContact OD1-CZ 3.02Å; D169-R171 PolarHBondContact OD1-N 3.33Å; D169-R171 IonicContact OD1-NE 2.63Å; D169-R171 PolarHBondContact OD1-NE 3.3Å; D169-R171 VanDerWaalsContact OD1-NE 3.14Å; D169-R171 IonicContact OD1-NH2 2.94Å; D169-R171 IonicContact OD2-CZ 2.64Å; D169-R171 IonicContact OD2-NE 3.14Å; D169-R171 IonicContact OD2-NH2 3.55Å; D169-R171 PolarHBondContact OD2-NH2 3.22Å; R171-P173 WeakPolarHBondContact O-CD 3.48Å
172E54Low74.3Confident149 Ų14981.9 Ų81.970%0.69643%0.425SS*.  trans-93.980.7158.7-70.3-173.8176.700106.8D169 G174D169-E172 HydrophobicContact CB-CB 4.12Å; D169-E172 HydrophobicContact CB-CG 3.92Å; D169-E172 PolarHBondContact O-N 2.89Å; D169-E172 VanDerWaalsContact O-N 3.12Å; E172-G174 PolarHBondContact O-N 3.46Å
173P50.2Low74.2Confident96 Ų9680.6 Ų80.662%0.62343%0.425SS*.  trans-70.469.9167.933.3-34.4000107.2R171 A177R171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-A177 HydrophobicContact CB-CB 3.87Å
174G59.9Low74.1Confident41 Ų4181.4 Ų81.442%0.42343%0.431SS..  trans-58.4170.3164.800000108.9E172 F176 A177E172-G174 PolarHBondContact O-N 3.46Å; G174-F176 PolarHBondContact O-N 3.33Å; G174-A177 PolarHBondContact O-N 3.33Å
175E63.2Low74Confident125 Ų12575.4 Ų75.458%0.58440%0.403SS*.G310 helixtrans-50.7-22.2-174.2-59174.2111.700114.2K188E175-K188 IonicContact OE1-NZ 2.71Å; E175-K188 PolarHBondContact OE1-NZ 2.93Å; E175-K188 WeakPolarHBondContact OE2-CE 3.28Å; E175-K188 IonicContact OE2-NZ 2.94Å; E175-K188 PolarHBondContact OE2-NZ 3.25Å
176F68.9Low73.9Confident26 Ų2676.2 Ų76.211%0.11441%0.405CS..G310 helixtrans-72.1-24.6176.7-66.3-83000115.2L134 V137 L138 A141 G174 L178 L179 K188L134-F176 HydrophobicContact CD1-CE2 3.67Å; L134-F176 HydrophobicContact CD1-CZ 3.76Å; V137-F176 HydrophobicContact CG1-CB 3.66Å; V137-F176 HydrophobicContact CG1-CD1 4.43Å; V137-F176 HydrophobicContact CG1-CD2 3.47Å; V137-F176 VanDerWaalsContact CG1-CD2 3.47Å; V137-F176 HydrophobicContact CG1-CE2 4.24Å; V137-F176 HydrophobicContact CG1-CG 3.59Å; L138-F176 HydrophobicContact CD2-CD1 4.15Å; L138-F176 HydrophobicContact CD2-CE1 3.32Å; L138-F176 HydrophobicContact CD2-CZ 3.68Å; L138-F176 HydrophobicContact CG-CE1 4.35Å; L138-F176 HydrophobicContact CG-CZ 4.36Å; A141-F176 HydrophobicContact CB-CD1 4.26Å; G174-F176 PolarHBondContact O-N 3.33Å; F176-L178 PolarHBondContact O-N 2.86Å; F176-L179 HydrophobicContact CB-CD1 4.13Å; F176-L179 HydrophobicContact CD1-CD1 3.51Å; F176-L179 HydrophobicContact CE1-CD1 4.31Å; F176-L179 HydrophobicContact CG-CD1 4.2Å; F176-L179 WeakPolarHBondContact O-CB 3.31Å; F176-L179 WeakPolarHBondContact O-CG 3.31Å; F176-L179 PolarHBondContact O-N 2.76Å; F176-K188 HydrophobicContact CD1-CG 4.29Å; F176-K188 HydrophobicContact CE1-CB 4.31Å; F176-K188 HydrophobicContact CE1-CG 3.62Å; F176-K188 HydrophobicContact CZ-CG 3.88Å
177A66.4Low74.1Confident54 Ų5477.1 Ų77.145%0.44640%0.402SS..G310 helixtrans-71.9-19.3178.300000113.1P173 G174P173-A177 HydrophobicContact CB-CB 3.87Å; G174-A177 PolarHBondContact O-N 3.33Å
178L74.5Confident74.4Confident126 Ų12675.4 Ų75.466%0.6639%0.39SS*.G310 helixtrans-82.5-15.9178.1-62.4176.4000112.8F176F176-L178 PolarHBondContact O-N 2.86Å
179L82.1Confident75Confident12 Ų1274.4 Ų74.46%0.06338%0.383CS..  trans-68.6135.7-177.5-53.6172.5000109.7H145 F176 E184 V185 K188H145-L179 PolarHBondContact CE1-O 3.03Å; H145-L179 PolarHBondContact NE2-O 3.26Å; F176-L179 HydrophobicContact CB-CD1 4.13Å; F176-L179 HydrophobicContact CD1-CD1 3.51Å; F176-L179 HydrophobicContact CE1-CD1 4.31Å; F176-L179 HydrophobicContact CG-CD1 4.2Å; F176-L179 WeakPolarHBondContact O-CB 3.31Å; F176-L179 WeakPolarHBondContact O-CG 3.31Å; F176-L179 PolarHBondContact O-N 2.76Å; L179-E184 WeakPolarHBondContact CA-OE2 3.47Å; L179-E184 HydrophobicContact CB-CB 4.41Å; L179-E184 HydrophobicContact CD2-CB 3.87Å; L179-V185 HydrophobicContact CB-CG2 4.2Å; L179-V185 HydrophobicContact CD1-CB 4.33Å; L179-V185 HydrophobicContact CD1-CG2 3.82Å; L179-K188 HydrophobicContact CD1-CB 4.4Å; L179-K188 HydrophobicContact CD2-CB 4.39Å
180R84.8Confident75.9Confident186 Ų18674.7 Ų74.770%0.70239%0.393SS*.  trans-114.4-23.8-176.7-59-55.6-173.3-163.41.1112.9H145 E184H145-R180 PolarHBondContact ND1-O 3.36Å; R180-E184 PolarHBondContact N-OE2 2.92Å
181S89.5Confident77.2Confident41 Ų4177.9 Ų77.929%0.28739%0.392SS..SBendtrans-129158.6-174.966.50000112.7Q183 E184 V185S181-Q183 VanDerWaalsContact C-N 3.25Å; S181-Q183 PolarHBondContact O-N 3.45Å; S181-E184 PolarHBondContact O-N 3.37Å; S181-E184 VanDerWaalsContact OG-CD 3.23Å; S181-E184 VanDerWaalsContact OG-CG 3.24Å; S181-E184 WeakPolarHBondContact OG-CG 3.22Å; S181-E184 PolarHBondContact OG-N 3.11Å; S181-E184 PolarHBondContact OG-OE1 2.87Å; S181-V185 PolarHBondContact O-N 2.89Å
182C90.7Very high78.2Confident36 Ų3670.4 Ų70.424%0.24337%0.369CS..Hα-helixtrans-59.7-38.7174.8-172.50000111.9H145 C146 E184 V185 F186H145-C182 WeakPolarHBondContact O-CB 3.47Å; C146-C182 HydrophobicContact CB-CB 3.9Å; C146-C182 WeakPolarHBondContact CB-SG 3.5Å; C146-C182 WeakPolarHBondContact SG-CA 3.36Å; C146-C182 WeakPolarHBondContact SG-CB 3.42Å; C146-C182 CovalentContact SG-SG 2.04Å; C146-C182 PolarHBondContact SG-SG 3.16Å; C182-E184 PolarHBondContact O-N 2.93Å; C182-V185 WeakPolarHBondContact O-CB 3.43Å; C182-V185 PolarHBondContact O-N 3.26Å; C182-F186 WeakPolarHBondContact O-CD2 3.26Å; C182-F186 PolarHBondContact O-N 2.8Å; C182-F186 VanDerWaalsContact O-N 3.1Å
183Q91.3Very high78.9Confident120 Ų12064.1 Ų64.156%0.56134%0.342SS*.Hα-helixtrans-59.8-45.8177.8-173.460.849.300111.3S181 V185 F186 D187S181-Q183 VanDerWaalsContact C-N 3.25Å; S181-Q183 PolarHBondContact O-N 3.45Å; Q183-V185 VanDerWaalsContact C-N 3.26Å; Q183-V185 PolarHBondContact O-N 3.08Å; Q183-F186 PolarHBondContact O-N 2.93Å; Q183-F186 VanDerWaalsContact O-N 3.12Å; Q183-D187 PolarHBondContact NE2-OD1 3.15Å; Q183-D187 PolarHBondContact O-N 3.49Å
184E90.4Very high79.3Confident70 Ų7067 Ų6733%0.32735%0.347SS..Hα-helixtrans-61.3-34.4177.7-74.3161.8-128.900112.7L179 R180 S181 C182 K188L179-E184 WeakPolarHBondContact CA-OE2 3.47Å; L179-E184 HydrophobicContact CB-CB 4.41Å; L179-E184 HydrophobicContact CD2-CB 3.87Å; R180-E184 PolarHBondContact N-OE2 2.92Å; S181-E184 PolarHBondContact O-N 3.37Å; S181-E184 VanDerWaalsContact OG-CD 3.23Å; S181-E184 VanDerWaalsContact OG-CG 3.24Å; S181-E184 WeakPolarHBondContact OG-CG 3.22Å; S181-E184 PolarHBondContact OG-N 3.11Å; S181-E184 PolarHBondContact OG-OE1 2.87Å; C182-E184 PolarHBondContact O-N 2.93Å; E184-K188 WeakPolarHBondContact O-CB 3.36Å; E184-K188 PolarHBondContact O-N 2.83Å
185V88.7Confident79Confident0 Ų071.8 Ų71.80%037%0.371CS..Hα-helixtrans-64.1-46.8173.9-177.30000110.7A141 L142 H145 L179 S181 C182 Q183 K188 L189A141-V185 HydrophobicContact CB-CG1 4.17Å; A141-V185 HydrophobicContact CB-CG2 4.26Å; L142-V185 HydrophobicContact CD2-CG1 3.65Å; L142-V185 HydrophobicContact CG-CG1 3.96Å; H145-V185 HydrophobicContact CB-CG2 4.04Å; L179-V185 HydrophobicContact CB-CG2 4.2Å; L179-V185 HydrophobicContact CD1-CB 4.33Å; L179-V185 HydrophobicContact CD1-CG2 3.82Å; S181-V185 PolarHBondContact O-N 2.89Å; C182-V185 WeakPolarHBondContact O-CB 3.43Å; C182-V185 PolarHBondContact O-N 3.26Å; Q183-V185 VanDerWaalsContact C-N 3.26Å; Q183-V185 PolarHBondContact O-N 3.08Å; V185-K188 PolarHBondContact O-N 2.9Å; V185-L189 PolarHBondContact O-N 2.9Å
186F89.7Confident78.4Confident23 Ų2368.1 Ų68.110%0.10137%0.367CS..Hα-helixtrans-68.4-35.1177-80.9-72.5000113L109 L113 L142 C182 Q183 K188 L189 A190L109-F186 HydrophobicContact CB-CE1 4.41Å; L113-F186 HydrophobicContact CD1-CZ 4.36Å; L142-F186 HydrophobicContact CD2-CE1 4.42Å; L142-F186 HydrophobicContact CD2-CE2 4Å; L142-F186 HydrophobicContact CD2-CZ 3.92Å; C182-F186 WeakPolarHBondContact O-CD2 3.26Å; C182-F186 PolarHBondContact O-N 2.8Å; C182-F186 VanDerWaalsContact O-N 3.1Å; Q183-F186 PolarHBondContact O-N 2.93Å; Q183-F186 VanDerWaalsContact O-N 3.12Å; F186-K188 VanDerWaalsContact C-N 3.31Å; F186-K188 PolarHBondContact O-N 3.49Å; F186-L189 HydrophobicContact CD1-CD1 3.89Å; F186-L189 HydrophobicContact CE1-CD1 4.13Å; F186-L189 WeakPolarHBondContact O-CB 3.46Å; F186-L189 PolarHBondContact O-N 2.96Å; F186-A190 WeakPolarHBondContact O-CB 3.3Å; F186-A190 PolarHBondContact O-N 2.82Å
187D88.4Confident77.7Confident73 Ų7371.4 Ų71.439%0.3939%0.385SS..Hα-helixtrans-66.9-34.2173.5-65.9-17.4000111.7Q183 R191Q183-D187 PolarHBondContact NE2-OD1 3.15Å; Q183-D187 PolarHBondContact O-N 3.49Å; D187-R191 PolarHBondContact O-N 3.47Å; D187-R191 PolarHBondContact O-NE 2.91Å; D187-R191 VanDerWaalsContact O-NE 3.14Å
188K84.9Confident77.2Confident23 Ų2372.2 Ų72.210%0.138%0.381CS..Hα-helixtrans-69.8-44.7172.2-173.262.3175.7178.30111E175 F176 L179 E184 V185 F186 A190 R191 V192E175-K188 IonicContact OE1-NZ 2.71Å; E175-K188 PolarHBondContact OE1-NZ 2.93Å; E175-K188 WeakPolarHBondContact OE2-CE 3.28Å; E175-K188 IonicContact OE2-NZ 2.94Å; E175-K188 PolarHBondContact OE2-NZ 3.25Å; F176-K188 HydrophobicContact CD1-CG 4.29Å; F176-K188 HydrophobicContact CE1-CB 4.31Å; F176-K188 HydrophobicContact CE1-CG 3.62Å; F176-K188 HydrophobicContact CZ-CG 3.88Å; L179-K188 HydrophobicContact CD1-CB 4.4Å; L179-K188 HydrophobicContact CD2-CB 4.39Å; E184-K188 WeakPolarHBondContact O-CB 3.36Å; E184-K188 PolarHBondContact O-N 2.83Å; V185-K188 PolarHBondContact O-N 2.9Å; F186-K188 VanDerWaalsContact C-N 3.31Å; F186-K188 PolarHBondContact O-N 3.49Å; K188-A190 VanDerWaalsContact C-N 3.29Å; K188-A190 PolarHBondContact O-N 3.21Å; K188-R191 WeakPolarHBondContact O-CB 3.25Å; K188-R191 PolarHBondContact O-N 2.85Å; K188-V192 WeakPolarHBondContact O-CG2 3.41Å; K188-V192 PolarHBondContact O-N 3.05Å
189L84.3Confident76.2Confident4 Ų470 Ų702%0.02137%0.365CS..Hα-helixtrans-54.8-44.6172.8-84.2169.1000111.5L106 L107 L138 L142 V185 F186 R191 V192 A193L106-L189 HydrophobicContact CB-CD2 4.11Å; L107-L189 HydrophobicContact CB-CB 4.46Å; L138-L189 HydrophobicContact CD1-CD2 3.58Å; L138-L189 HydrophobicContact CD2-CD1 4.44Å; L138-L189 HydrophobicContact CD2-CD2 3.42Å; L138-L189 VanDerWaalsContact CD2-CD2 3.42Å; L138-L189 HydrophobicContact CD2-CG 3.81Å; L138-L189 HydrophobicContact CG-CD2 4.12Å; L142-L189 HydrophobicContact CD2-CD1 4.3Å; V185-L189 PolarHBondContact O-N 2.9Å; F186-L189 HydrophobicContact CD1-CD1 3.89Å; F186-L189 HydrophobicContact CE1-CD1 4.13Å; F186-L189 WeakPolarHBondContact O-CB 3.46Å; F186-L189 PolarHBondContact O-N 2.96Å; L189-R191 PolarHBondContact O-N 2.94Å; L189-V192 PolarHBondContact O-N 3.24Å; L189-V192 VanDerWaalsContact O-N 3.12Å; L189-A193 VanDerWaalsContact O-CB 3.24Å; L189-A193 WeakPolarHBondContact O-CB 3.29Å; L189-A193 PolarHBondContact O-N 3.26Å
190A85.1Confident75Confident58 Ų5871.7 Ų71.748%0.47938%0.381SS..Hα-helixtrans-61.8-27.1177.900000113.6F186 K188F186-A190 WeakPolarHBondContact O-CB 3.3Å; F186-A190 PolarHBondContact O-N 2.82Å; K188-A190 VanDerWaalsContact C-N 3.29Å; K188-A190 PolarHBondContact O-N 3.21Å
191R82.3Confident73.8Confident168 Ų16864.4 Ų64.463%0.63436%0.356SS*.Hα-helixtrans-82.4-31.9174.7-72.4177-76.8-165.4-0.4113.1D187 K188 L189D187-R191 PolarHBondContact O-N 3.47Å; D187-R191 PolarHBondContact O-NE 2.91Å; D187-R191 VanDerWaalsContact O-NE 3.14Å; K188-R191 WeakPolarHBondContact O-CB 3.25Å; K188-R191 PolarHBondContact O-N 2.85Å; L189-R191 PolarHBondContact O-N 2.94Å
192V73.6Confident72.3Confident47 Ų4766.4 Ų66.429%0.28538%0.383SS..Hα-helixtrans-80.2-30.6178.1174.50000111.4L134 K188 L189 Q194L134-V192 HydrophobicContact CD2-CG1 3.67Å; K188-V192 WeakPolarHBondContact O-CG2 3.41Å; K188-V192 PolarHBondContact O-N 3.05Å; L189-V192 PolarHBondContact O-N 3.24Å; L189-V192 VanDerWaalsContact O-N 3.12Å; V192-Q194 PolarHBondContact O-N 2.98Å
193A69.1Low70.9Confident18 Ų1867 Ų6715%0.14939%0.385CS..  trans-62.285.6168.600000109D104 L107 L189D104-A193 WeakPolarHBondContact O-CB 3.44Å; L107-A193 HydrophobicContact CD2-CB 3.39Å; L189-A193 VanDerWaalsContact O-CB 3.24Å; L189-A193 WeakPolarHBondContact O-CB 3.29Å; L189-A193 PolarHBondContact O-N 3.26Å
194Q57.6Low70Confident155 Ų15569.6 Ų69.672%0.72440%0.403SS*.  trans-66.4143.4168.9-65.6-158.67.400108V192 G196V192-Q194 PolarHBondContact O-N 2.98Å; Q194-G196 PolarHBondContact O-N 3.11Å
195P52.8Low69.7Low142 Ų14266.9 Ų66.992%0.92239%0.391SS*.  trans-6976.6166.524.9-25.5000108.8
196G51.6Low69.8Low48 Ų4869.2 Ų69.250%0.49541%0.407SS..  trans-78.5164.2170.700000111.2Q194 N198Q194-G196 PolarHBondContact O-N 3.11Å; G196-N198 PolarHBondContact O-N 3.34Å
197I54Low70Confident96 Ų9668.3 Ų68.349%0.49240%0.404SS..  trans-78.7120.2169.2-56.9173.2000107Y199 A200 H383I197-Y199 PolarHBondContact O-N 2.71Å; I197-A200 HydrophobicContact CB-CB 3.86Å; I197-A200 HydrophobicContact CG2-CB 4.2Å; I197-A200 VanDerWaalsContact O-CB 3.23Å; I197-A200 WeakPolarHBondContact O-CB 3.38Å; I197-A200 PolarHBondContact O-N 3.42Å; I197-H383 HydrophobicContact CG2-CB 3.72Å
198N56.3Low70.4Confident70 Ų7065 Ų6537%0.37439%0.386SS..THydrogen-bonded Turntrans-45.8131.7179-78.1-36.6000111.9G196 A200 H383G196-N198 PolarHBondContact O-N 3.34Å; N198-A200 PolarHBondContact O-N 2.82Å; N198-A200 VanDerWaalsContact O-N 3.11Å; N198-H383 PolarHBondContact O-CD2 3.06Å; N198-H383 VanDerWaalsContact O-CD2 3.26Å
199Y53.5Low70.9Confident79 Ų7964 Ų6431%0.3138%0.381SS..THydrogen-bonded Turntrans63.61.8-179.8-55-77.8000116.1I197 L201 Y207 H383I197-Y199 PolarHBondContact O-N 2.71Å; Y199-L201 VanDerWaalsContact C-N 3.3Å; Y199-L201 PolarHBondContact O-N 3.49Å; Y199-Y207 AromaticContact CD1-CD1 3.91Å; Y199-Y207 HydrophobicContact CD1-CD1 3.91Å; Y199-Y207 HydrophobicContact CD1-CD2 4.11Å; Y199-Y207 AromaticContact CD1-CG 3.67Å; Y199-Y207 HydrophobicContact CD1-CG 3.67Å; Y199-Y207 AromaticContact CE1-CD1 3.47Å; Y199-Y207 HydrophobicContact CE1-CD1 3.47Å; Y199-Y207 VanDerWaalsContact CE1-CD1 3.47Å; Y199-Y207 HydrophobicContact CE1-CD2 4.18Å; Y199-Y207 AromaticContact CE1-CE1 3.73Å; Y199-Y207 HydrophobicContact CE1-CE1 3.73Å; Y199-Y207 HydrophobicContact CE1-CE2 4.41Å; Y199-Y207 AromaticContact CE1-CG 3.71Å; Y199-Y207 HydrophobicContact CE1-CG 3.71Å; Y199-H383 VanDerWaalsContact C-CD2 3.44Å
200A56.4Low71.6Confident49 Ų4963.8 Ų63.841%0.40538%0.381SS..  trans-81.878.3170.200000109.5I197 N198 G202 H383I197-A200 HydrophobicContact CB-CB 3.86Å; I197-A200 HydrophobicContact CG2-CB 4.2Å; I197-A200 VanDerWaalsContact O-CB 3.23Å; I197-A200 WeakPolarHBondContact O-CB 3.38Å; I197-A200 PolarHBondContact O-N 3.42Å; N198-A200 PolarHBondContact O-N 2.82Å; N198-A200 VanDerWaalsContact O-N 3.11Å; A200-G202 PolarHBondContact O-N 2.85Å; A200-H383 HydrophobicContact CB-CB 3.83Å
201L59.3Low72.2Confident32 Ų3261.6 Ų61.617%0.16836%0.361CS..  trans-71.53.5-174.5-63171.1000114.1F125 A127 Y199 T203 V205F125-L201 HydrophobicContact CD1-CD1 4.46Å; F125-L201 HydrophobicContact CE1-CD1 3.68Å; F125-L201 HydrophobicContact CE1-CD2 4.43Å; A127-L201 HydrophobicContact CB-CB 4.22Å; A127-L201 HydrophobicContact CB-CD1 4.26Å; A127-L201 HydrophobicContact CB-CD2 3.95Å; A127-L201 HydrophobicContact CB-CG 4.36Å; Y199-L201 VanDerWaalsContact C-N 3.3Å; Y199-L201 PolarHBondContact O-N 3.49Å; L201-T203 WeakPolarHBondContact O-CB 3.29Å; L201-T203 VanDerWaalsContact O-CG2 3.31Å; L201-T203 WeakPolarHBondContact O-CG2 3.24Å; L201-T203 PolarHBondContact O-N 2.9Å; L201-T203 PolarHBondContact O-OG1 2.8Å; L201-V205 VanDerWaalsContact CD1-O 3.26Å; L201-V205 WeakPolarHBondContact CD1-O 3.42Å
202G57.5Low73Confident83 Ų8353.6 Ų53.686%0.85633%0.331SS*.SBendtrans56.711-179.300000114.6A200A200-G202 PolarHBondContact O-N 2.85Å
203T61.6Low74.2Confident48 Ų4851.7 Ų51.729%0.29432%0.318SS..SBendtrans-139.1159.7-16956.10000109.2T128 L201 V205T128-T203 HydrophobicContact CG2-CG2 4.14Å; L201-T203 WeakPolarHBondContact O-CB 3.29Å; L201-T203 VanDerWaalsContact O-CG2 3.31Å; L201-T203 WeakPolarHBondContact O-CG2 3.24Å; L201-T203 PolarHBondContact O-N 2.9Å; L201-T203 PolarHBondContact O-OG1 2.8Å; T203-V205 PolarHBondContact O-N 2.76Å
204N73.4Confident75.5Confident176 Ų17651.7 Ų51.794%0.94132%0.316SS*.SBendtrans-75.626.7176.2-72.1-9.3000113.3
205V84.1Confident77.5Confident13 Ų1344.6 Ų44.68%0.07928%0.283CS..  trans-109.2129.1-176.6-179.20000108.7Y79 F125 P160 L201 T203Y79-V205 HydrophobicContact CE1-CG1 4.15Å; F125-V205 HydrophobicContact CE1-CG1 4.48Å; F125-V205 HydrophobicContact CZ-CG1 3.74Å; P160-V205 HydrophobicContact CG-CB 4.47Å; P160-V205 HydrophobicContact CG-CG1 3.77Å; P160-V205 HydrophobicContact CG-CG2 3.92Å; L201-V205 VanDerWaalsContact CD1-O 3.26Å; L201-V205 WeakPolarHBondContact CD1-O 3.42Å; T203-V205 PolarHBondContact O-N 2.76Å
206S90.6Very high79.6Confident48 Ų4837.8 Ų37.834%0.33624%0.239SC..  trans-79.5142.8173.3-56.20000111.1Y79 P208Y79-S206 PolarHBondContact OH-O 3.17Å; S206-P208 WeakPolarHBondContact O-CD 3.41Å
207Y93.8Very high81.8Confident5 Ų537.3 Ų37.32%0.0222%0.222CC..  trans-71.7121.2170-169.3-90000110.7H100 A101 F125 Y199 N209 L212 Q344H100-Y207 AromaticContact CE1-CE1 3.8Å; H100-Y207 AromaticContact ND1-CE1 3.42Å; H100-Y207 WeakPolarHBondContact ND1-CE1 3.41Å; H100-Y207 AromaticContact ND1-CZ 3.6Å; H100-Y207 PolarHBondContact ND1-OH 3.43Å; A101-Y207 PolarHBondContact N-OH 2.99Å; F125-Y207 HydrophobicContact CB-CD2 4.24Å; F125-Y207 HydrophobicContact CB-CE2 3.71Å; F125-Y207 AromaticContact CD1-CD2 3.43Å; F125-Y207 HydrophobicContact CD1-CD2 3.43Å; F125-Y207 VanDerWaalsContact CD1-CD2 3.43Å; F125-Y207 AromaticContact CD1-CE2 3.76Å; F125-Y207 HydrophobicContact CD1-CE2 3.76Å; F125-Y207 HydrophobicContact CD1-CG 4.35Å; F125-Y207 HydrophobicContact CE1-CD2 4.1Å; F125-Y207 HydrophobicContact CG-CD2 4.08Å; F125-Y207 HydrophobicContact CG-CE2 4.06Å; Y199-Y207 AromaticContact CD1-CD1 3.91Å; Y199-Y207 HydrophobicContact CD1-CD1 3.91Å; Y199-Y207 HydrophobicContact CD1-CD2 4.11Å; Y199-Y207 AromaticContact CD1-CG 3.67Å; Y199-Y207 HydrophobicContact CD1-CG 3.67Å; Y199-Y207 AromaticContact CE1-CD1 3.47Å; Y199-Y207 HydrophobicContact CE1-CD1 3.47Å; Y199-Y207 VanDerWaalsContact CE1-CD1 3.47Å; Y199-Y207 HydrophobicContact CE1-CD2 4.18Å; Y199-Y207 AromaticContact CE1-CE1 3.73Å; Y199-Y207 HydrophobicContact CE1-CE1 3.73Å; Y199-Y207 HydrophobicContact CE1-CE2 4.41Å; Y199-Y207 AromaticContact CE1-CG 3.71Å; Y199-Y207 HydrophobicContact CE1-CG 3.71Å; Y207-N209 VanDerWaalsContact C-N 3.34Å; Y207-N209 HydrophobicContact CD1-CB 3.93Å; Y207-N209 HydrophobicContact CE1-CB 4.03Å; Y207-N209 PolarHBondContact O-N 2.89Å; Y207-N209 VanDerWaalsContact O-N 3.11Å; Y207-N209 PolarHBondContact O-OD1 3.06Å; Y207-L212 HydrophobicContact CD1-CD1 4.1Å; Y207-L212 HydrophobicContact CE1-CD1 3.41Å; Y207-L212 VanDerWaalsContact CE1-CD1 3.41Å; Y207-L212 HydrophobicContact CE2-CD1 4.11Å; Y207-L212 VanDerWaalsContact CZ-CD1 3.42Å; Y207-Q344 PolarHBondContact O-N 2.8Å
208P96.4Very high83.6Confident2 Ų237.6 Ų37.61%0.01322%0.221CC..  trans-91.160.8-172.837.6-36.6000112.1Y79 F125 V158 S206 N210 L211 L212Y79-P208 HydrophobicContact CD1-CB 4.41Å; Y79-P208 HydrophobicContact CD1-CG 3.94Å; Y79-P208 HydrophobicContact CD2-CB 4.19Å; Y79-P208 HydrophobicContact CE1-CB 3.96Å; Y79-P208 HydrophobicContact CE1-CG 3.65Å; Y79-P208 HydrophobicContact CE2-CB 3.73Å; Y79-P208 HydrophobicContact CE2-CG 4.3Å; Y79-P208 HydrophobicContact CG-CG 4.37Å; F125-P208 HydrophobicContact CD2-CG 3.77Å; F125-P208 HydrophobicContact CE2-CG 3.76Å; F125-P208 HydrophobicContact CG-CG 4.46Å; F125-P208 HydrophobicContact CZ-CG 4.44Å; V158-P208 HydrophobicContact CG1-CG 4.38Å; S206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.36Å; P208-N210 VanDerWaalsContact O-N 3.15Å; P208-L211 HydrophobicContact CB-CB 4.08Å; P208-L211 HydrophobicContact CB-CD2 4.2Å; P208-L211 HydrophobicContact CG-CD2 4.41Å; P208-L211 PolarHBondContact O-N 3.3Å; P208-L212 HydrophobicContact CG-CD1 4.17Å; P208-L212 HydrophobicContact CG-CG 4.18Å; P208-L212 VanDerWaalsContact O-CG 3.29Å; P208-L212 WeakPolarHBondContact O-CG 3.26Å; P208-L212 PolarHBondContact O-N 3.05Å
209N96.2Very high85.2Confident2 Ų238 Ų381%0.01124%0.241CC..Hα-helixtrans-48.1-45.3-174.549.6-78000113.8Y207 L212 R213 F342 R343 Q344 N348Y207-N209 VanDerWaalsContact C-N 3.34Å; Y207-N209 HydrophobicContact CD1-CB 3.93Å; Y207-N209 HydrophobicContact CE1-CB 4.03Å; Y207-N209 PolarHBondContact O-N 2.89Å; Y207-N209 VanDerWaalsContact O-N 3.11Å; Y207-N209 PolarHBondContact O-OD1 3.06Å; N209-L212 PolarHBondContact O-N 3.17Å; N209-R213 VanDerWaalsContact O-CG 3.24Å; N209-R213 WeakPolarHBondContact O-CG 3.44Å; N209-R213 PolarHBondContact O-N 3.45Å; N209-F342 PolarHBondContact ND2-O 3.1Å; N209-F342 PolarHBondContact OD1-O 2.78Å; N209-R343 VanDerWaalsContact OD1-C 3.3Å; N209-R343 WeakPolarHBondContact OD1-CA 3.41Å; N209-Q344 PolarHBondContact OD1-N 3.4Å; N209-Q344 PolarHBondContact OD1-O 2.88Å; N209-N348 WeakPolarHBondContact ND2-CB 3.3Å
210N98Very high87Confident1 Ų135.2 Ų35.21%0.00524%0.235CC..Hα-helixtrans-74.3-35.8-175.5-80.61.7000113.1P208 L212 R213 N214 F338 D339 N348P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.36Å; P208-N210 VanDerWaalsContact O-N 3.15Å; N210-L212 VanDerWaalsContact C-N 3.31Å; N210-L212 PolarHBondContact O-N 3.32Å; N210-R213 PolarHBondContact O-N 3.27Å; N210-R213 PolarHBondContact OD1-NH1 2.93Å; N210-N214 PolarHBondContact O-N 2.95Å; N210-N214 PolarHBondContact O-ND2 2.95Å; N210-F338 HydrophobicContact CB-CB 3.69Å; N210-D339 WeakPolarHBondContact CB-O 3.41Å; N210-D339 PolarHBondContact ND2-O 2.77Å; N210-N348 PolarHBondContact ND2-O 3.38Å
211L98.4Very high88.6Confident12 Ų1237.1 Ų37.16%0.06324%0.238CC..Hα-helixtrans-58.7-45.9168.5170.563000110.5D74 Y79 V81 V158 P208 R213 N214 L215 E340D74-L211 HydrophobicContact CB-CD1 4.21Å; D74-L211 HydrophobicContact CB-CD2 3.97Å; Y79-L211 HydrophobicContact CD2-CD2 4.04Å; Y79-L211 HydrophobicContact CG-CD2 4.1Å; V81-L211 HydrophobicContact CG2-CD2 4.42Å; V158-L211 HydrophobicContact CG1-CD2 4Å; P208-L211 HydrophobicContact CB-CB 4.08Å; P208-L211 HydrophobicContact CB-CD2 4.2Å; P208-L211 HydrophobicContact CG-CD2 4.41Å; P208-L211 PolarHBondContact O-N 3.3Å; L211-R213 PolarHBondContact O-N 2.92Å; L211-N214 PolarHBondContact O-N 3.43Å; L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.29Å; L211-E340 HydrophobicContact CB-CG 4.3Å
212L98.6Very high90.4Very high0 Ų036.6 Ų36.60%023%0.234CC..Hα-helixtrans-64.5-38.9-179.9-61.7164.7000112H100 S123 F125 V158 Y207 P208 N209 N210 L215 A216H100-L212 HydrophobicContact CB-CB 3.49Å; H100-L212 VanDerWaalsContact CB-CB 3.49Å; H100-L212 HydrophobicContact CB-CD1 4.1Å; H100-L212 HydrophobicContact CB-CG 4.35Å; S123-L212 VanDerWaalsContact CB-O 3.25Å; S123-L212 WeakPolarHBondContact CB-O 3.49Å; S123-L212 PolarHBondContact OG-O 3.41Å; F125-L212 HydrophobicContact CB-CD1 3.81Å; F125-L212 HydrophobicContact CB-CD2 4.14Å; F125-L212 HydrophobicContact CG-CD1 4.43Å; V158-L212 HydrophobicContact CB-CD2 3.72Å; V158-L212 HydrophobicContact CG1-CD2 4.39Å; V158-L212 HydrophobicContact CG2-CD2 3.55Å; Y207-L212 HydrophobicContact CD1-CD1 4.1Å; Y207-L212 HydrophobicContact CE1-CD1 3.41Å; Y207-L212 VanDerWaalsContact CE1-CD1 3.41Å; Y207-L212 HydrophobicContact CE2-CD1 4.11Å; Y207-L212 VanDerWaalsContact CZ-CD1 3.42Å; P208-L212 HydrophobicContact CG-CD1 4.17Å; P208-L212 HydrophobicContact CG-CG 4.18Å; P208-L212 VanDerWaalsContact O-CG 3.29Å; P208-L212 WeakPolarHBondContact O-CG 3.26Å; P208-L212 PolarHBondContact O-N 3.05Å; N209-L212 PolarHBondContact O-N 3.17Å; N210-L212 VanDerWaalsContact C-N 3.31Å; N210-L212 PolarHBondContact O-N 3.32Å; L212-L215 PolarHBondContact O-N 3.41Å; L212-A216 VanDerWaalsContact O-CB 3.3Å; L212-A216 WeakPolarHBondContact O-CB 3.2Å; L212-A216 PolarHBondContact O-N 3.32Å
213R98.1Very high92.2Very high6 Ų633.1 Ų33.12%0.02320%0.197CC..Hα-helixtrans-64.7-46174.9-71.9169.4-175.7160.2-6.8112H100 N209 N210 L211 L215 A216 R217 V225 D227 F338 N348H100-R213 PolarHBondContact NE2-NE 3.39Å; N209-R213 VanDerWaalsContact O-CG 3.24Å; N209-R213 WeakPolarHBondContact O-CG 3.44Å; N209-R213 PolarHBondContact O-N 3.45Å; N210-R213 PolarHBondContact O-N 3.27Å; N210-R213 PolarHBondContact OD1-NH1 2.93Å; L211-R213 PolarHBondContact O-N 2.92Å; R213-L215 VanDerWaalsContact C-N 3.32Å; R213-A216 PolarHBondContact O-N 3.27Å; R213-R217 VanDerWaalsContact O-CG 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.19Å; R213-R217 PolarHBondContact O-N 3Å; R213-R217 VanDerWaalsContact O-N 3.11Å; R213-V225 HydrophobicContact CB-CG1 4.05Å; R213-V225 HydrophobicContact CG-CG1 3.67Å; R213-D227 IonicContact NH2-OD1 2.72Å; R213-F338 HydrophobicContact CB-CD2 3.95Å; R213-F338 HydrophobicContact CB-CE2 4.13Å; R213-F338 HydrophobicContact CB-CG 4.25Å; R213-N348 PolarHBondContact NH1-OD1 3.46Å; R213-N348 PolarHBondContact NH2-OD1 2.88Å
214N98.1Very high94Very high19 Ų1930.8 Ų30.810%0.10218%0.183CC..Hα-helixtrans-60.9-43.9176.4-73.6-24.2000111.4N210 L211 R217 E218 F338 E340N210-N214 PolarHBondContact O-N 2.95Å; N210-N214 PolarHBondContact O-ND2 2.95Å; L211-N214 PolarHBondContact O-N 3.43Å; N214-R217 WeakPolarHBondContact O-CG 3.42Å; N214-R217 PolarHBondContact O-N 2.95Å; N214-E218 PolarHBondContact O-N 3.41Å; N214-F338 PolarHBondContact ND2-O 2.73Å; N214-F338 PolarHBondContact OD1-N 3.32Å; N214-E340 WeakPolarHBondContact ND2-CG 3.38Å; N214-E340 PolarHBondContact ND2-OE1 2.84Å
215L98.2Very high95.2Very high5 Ų522.7 Ų22.73%0.02614%0.14CC..Hα-helixtrans-64.7-42.6177.3-179.661.1000112.4V81 R83 S123 H156 V158 L211 L212 R213 R217 E218V81-L215 HydrophobicContact CG1-CD1 3.91Å; V81-L215 HydrophobicContact CG1-CD2 3.58Å; V81-L215 HydrophobicContact CG1-CG 4.41Å; R83-L215 HydrophobicContact CG-CD1 3.91Å; S123-L215 WeakPolarHBondContact OG-CB 3.25Å; S123-L215 WeakPolarHBondContact OG-CG 3.32Å; H156-L215 HydrophobicContact CB-CD1 4.27Å; H156-L215 HydrophobicContact CB-CD2 3.52Å; H156-L215 HydrophobicContact CB-CG 3.76Å; V158-L215 HydrophobicContact CG2-CD2 3.5Å; V158-L215 VanDerWaalsContact CG2-CD2 3.5Å; L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.29Å; L212-L215 PolarHBondContact O-N 3.41Å; R213-L215 VanDerWaalsContact C-N 3.32Å; L215-R217 VanDerWaalsContact C-N 3.31Å; L215-R217 PolarHBondContact O-N 3.32Å; L215-E218 VanDerWaalsContact O-CB 3.31Å; L215-E218 WeakPolarHBondContact O-CB 3.3Å; L215-E218 PolarHBondContact O-N 3.21Å
216A98.1Very high95.8Very high0 Ų022.1 Ų22.10%014%0.136CC..Hα-helixtrans-68.6-31.1-178.400000112.3A98 T99 S121 S123 L212 R213A98-A216 HydrophobicContact CB-CB 3.89Å; T99-A216 VanDerWaalsContact O-CB 3.3Å; T99-A216 WeakPolarHBondContact O-CB 3.45Å; S121-A216 WeakPolarHBondContact CB-O 3.37Å; S121-A216 WeakPolarHBondContact OG-CA 3.43Å; S121-A216 PolarHBondContact OG-O 3.34Å; S123-A216 WeakPolarHBondContact OG-CB 3.45Å; S123-A216 PolarHBondContact OG-N 2.94Å; S123-A216 VanDerWaalsContact OG-N 3.16Å; L212-A216 VanDerWaalsContact O-CB 3.3Å; L212-A216 WeakPolarHBondContact O-CB 3.2Å; L212-A216 PolarHBondContact O-N 3.32Å; R213-A216 PolarHBondContact O-N 3.27Å
217R96.1Very high96Very high38 Ų3820.5 Ų20.514%0.14312%0.124CC..THydrogen-bonded Turntrans-922.7178.478.1-171.1-166.884.4-13.2113.9A98 R213 N214 L215 G219 A220 A223 V225 V335 P336A98-R217 HydrophobicContact CB-CB 3.98Å; R213-R217 VanDerWaalsContact O-CG 3.31Å; R213-R217 WeakPolarHBondContact O-CG 3.19Å; R213-R217 PolarHBondContact O-N 3Å; R213-R217 VanDerWaalsContact O-N 3.11Å; N214-R217 WeakPolarHBondContact O-CG 3.42Å; N214-R217 PolarHBondContact O-N 2.95Å; L215-R217 VanDerWaalsContact C-N 3.31Å; L215-R217 PolarHBondContact O-N 3.32Å; R217-G219 PolarHBondContact O-N 3.35Å; R217-A220 WeakPolarHBondContact O-CB 3.11Å; R217-A220 PolarHBondContact O-N 3.45Å; R217-A223 HydrophobicContact CB-CB 3.91Å; R217-V225 HydrophobicContact CB-CG2 4.49Å; R217-V335 PolarHBondContact NH2-O 3.06Å; R217-V335 VanDerWaalsContact NH2-O 3.09Å; R217-P336 PolarHBondContact NH2-O 3.1Å
218E93.3Very high96.1Very high102 Ų10220.8 Ų20.848%0.47713%0.126SC..THydrogen-bonded Turntrans-61.3132.1-175.6-171.5171.4-144.200110.9R83 N214 L215 A220R83-E218 WeakPolarHBondContact CD-OE2 3.23Å; R83-E218 IonicContact NE-OE1 3.84Å; R83-E218 IonicContact NE-OE2 2.66Å; R83-E218 PolarHBondContact NE-OE2 2.8Å; N214-E218 PolarHBondContact O-N 3.41Å; L215-E218 VanDerWaalsContact O-CB 3.31Å; L215-E218 WeakPolarHBondContact O-CB 3.3Å; L215-E218 PolarHBondContact O-N 3.21Å; E218-A220 PolarHBondContact O-N 2.78Å
219G89.4Confident95.9Very high77 Ų7722 Ų2279%0.79413%0.132SC*.THydrogen-bonded Turntrans78-3.9178.900000115.9R217R217-G219 PolarHBondContact O-N 3.35Å
220A91.7Very high95.8Very high21 Ų2121.9 Ų21.917%0.17413%0.132CC..  trans-84.5137.2178.500000112.7M90 I96 R217 E218M90-A220 HydrophobicContact CE-CB 3.58Å; M90-A220 HydrophobicContact SD-CB 3.96Å; I96-A220 HydrophobicContact CB-CB 4.04Å; I96-A220 HydrophobicContact CG2-CB 3.33Å; R217-A220 WeakPolarHBondContact O-CB 3.11Å; R217-A220 PolarHBondContact O-N 3.45Å; E218-A220 PolarHBondContact O-N 2.78Å
221N90.4Very high95.7Very high89 Ų8923 Ų2348%0.47614%0.139SC..SBendtrans-72.6-45.7172.4-74.9-18.6000111.7P92 G332 G333P92-N221 WeakPolarHBondContact O-CB 3.14Å; P92-N221 PolarHBondContact O-ND2 2.92Å; N221-G332 WeakPolarHBondContact O-CA 3.45Å; N221-G333 PolarHBondContact O-N 2.91Å
222Y95.4Very high95.7Very high22 Ų2222.5 Ų22.59%0.08614%0.136CC..EExtended strand (participates in β ladder)trans-124.5137.7173.3-66.7-87.5000110I96 L244 W250 A331I96-Y222 PolarHBondContact N-O 3.13Å; Y222-L244 HydrophobicContact CD1-CD1 3.99Å; Y222-L244 HydrophobicContact CD1-CD2 4.09Å; Y222-L244 HydrophobicContact CD2-CD1 3.79Å; Y222-L244 HydrophobicContact CE1-CD1 4.34Å; Y222-L244 HydrophobicContact CE1-CD2 3.73Å; Y222-L244 HydrophobicContact CE2-CD1 4.14Å; Y222-L244 HydrophobicContact CE2-CD2 4.34Å; Y222-L244 HydrophobicContact CG-CD1 3.71Å; Y222-W250 HydrophobicContact CE1-CB 3.96Å; Y222-A331 WeakPolarHBondContact CA-O 3.39Å
223A96.9Very high95.6Very high9 Ų922.8 Ų22.87%0.07414%0.138CC..EExtended strand (participates in β ladder)trans-135.4136.2178.900000112I96 R217 V225 V330 A331I96-A223 HydrophobicContact CG2-CB 3.63Å; I96-A223 WeakPolarHBondContact O-CA 3.44Å; R217-A223 HydrophobicContact CB-CB 3.91Å; A223-V225 HydrophobicContact CB-CG2 4.42Å; A223-V330 WeakPolarHBondContact O-CA 3.37Å; A223-A331 PolarHBondContact N-O 3.07Å; A223-A331 VanDerWaalsContact N-O 3.1Å; A223-A331 PolarHBondContact O-N 2.78Å
224L98.5Very high95.5Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-100.3106.9163179.448.8000108.3V95 I96 L97 A98 W116 I226 L236 V257 Y329 V330V95-L224 HydrophobicContact CG1-CB 4.23Å; I96-L224 PolarHBondContact O-N 3.01Å; L97-L224 HydrophobicContact CD1-CB 4.03Å; L97-L224 HydrophobicContact CD1-CD2 3.88Å; L97-L224 HydrophobicContact CD1-CG 3.82Å; A98-L224 PolarHBondContact N-O 2.97Å; W116-L224 HydrophobicContact CH2-CB 4.48Å; W116-L224 HydrophobicContact CH2-CD2 4.14Å; W116-L224 HydrophobicContact CZ3-CD2 3.99Å; L224-I226 HydrophobicContact CD1-CG2 3.95Å; L224-I226 HydrophobicContact CD2-CG2 4.39Å; L224-I226 HydrophobicContact CG-CG2 3.77Å; L224-L236 HydrophobicContact CD2-CD2 4.02Å; L224-V257 HydrophobicContact CD1-CG2 3.98Å; L224-V257 HydrophobicContact CD2-CG2 4.46Å; L224-Y329 WeakPolarHBondContact CD1-O 3.26Å; L224-V330 HydrophobicContact CB-CG2 3.94Å; L224-V330 HydrophobicContact CD1-CG2 4.13Å; L224-V330 HydrophobicContact CD2-CG2 4.35Å; L224-V330 HydrophobicContact CG-CG2 4.33Å
225V98.4Very high95.5Very high6 Ų628.1 Ų28.14%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-93111.3-178.7-1750000110.5A98 R213 R217 A223 F338 R349A98-V225 HydrophobicContact CB-CG2 4.06Å; A98-V225 CarbonylContact O-C 3.6Å; A98-V225 VanDerWaalsContact O-CA 3.3Å; A98-V225 WeakPolarHBondContact O-CA 3.34Å; R213-V225 HydrophobicContact CB-CG1 4.05Å; R213-V225 HydrophobicContact CG-CG1 3.67Å; R217-V225 HydrophobicContact CB-CG2 4.49Å; A223-V225 HydrophobicContact CB-CG2 4.42Å; V225-F338 HydrophobicContact CB-CZ 4.33Å; V225-F338 HydrophobicContact CG1-CE2 4.4Å; V225-F338 HydrophobicContact CG1-CZ 4.15Å; V225-F338 HydrophobicContact CG2-CE2 4.16Å; V225-F338 HydrophobicContact CG2-CZ 4.37Å; V225-R349 PolarHBondContact O-NH1 2.9Å; V225-R349 VanDerWaalsContact O-NH1 3.15Å; V225-R349 PolarHBondContact O-NH2 3.38Å
226I97.8Very high95.4Very high0 Ų028 Ų280%017%0.168CC..EExtended strand (participates in β ladder)trans-124.6158-176.467.2161.6000112.4L97 A98 T99 L112 L224 M230 F328 L371L97-I226 HydrophobicContact CD1-CD1 3.68Å; L97-I226 HydrophobicContact CD1-CG1 3.74Å; L97-I226 HydrophobicContact CD1-CG2 4.09Å; L97-I226 HydrophobicContact CD2-CD1 3.93Å; L97-I226 HydrophobicContact CG-CD1 4Å; L97-I226 HydrophobicContact CG-CG1 4.11Å; A98-I226 PolarHBondContact O-N 3.43Å; T99-I226 WeakPolarHBondContact CA-O 3.48Å; T99-I226 WeakPolarHBondContact CB-O 3.48Å; T99-I226 PolarHBondContact OG1-O 2.93Å; L112-I226 HydrophobicContact CD1-CD1 4.36Å; L112-I226 HydrophobicContact CD2-CD1 3.69Å; L224-I226 HydrophobicContact CD1-CG2 3.95Å; L224-I226 HydrophobicContact CD2-CG2 4.39Å; L224-I226 HydrophobicContact CG-CG2 3.77Å; I226-M230 HydrophobicContact CB-CB 4.32Å; I226-M230 HydrophobicContact CD1-CB 4.16Å; I226-F328 HydrophobicContact CB-CD1 4.38Å; I226-F328 HydrophobicContact CB-CE1 4.4Å; I226-F328 HydrophobicContact CG2-CD1 4.02Å; I226-L371 HydrophobicContact CB-CD1 4.49Å; I226-L371 HydrophobicContact CG2-CD1 3.56Å; I226-L371 HydrophobicContact CG2-CD2 4.15Å
227D95.1Very high95.4Very high14 Ų1429.6 Ų29.68%0.07517%0.174CC..EExtended strand (participates in β ladder)trans-75.1145.1167.3-53.7-8.8000108R213 D229 M230 R349R213-D227 IonicContact NH2-OD1 2.72Å; D227-D229 WeakPolarHBondContact CB-OD1 3.4Å; D227-D229 PolarHBondContact O-N 3.42Å; D227-D229 VanDerWaalsContact O-N 3.13Å; D227-M230 HydrophobicContact CB-CG 3.93Å; D227-M230 WeakPolarHBondContact O-CB 3.4Å; D227-M230 WeakPolarHBondContact O-CG 3.45Å; D227-M230 PolarHBondContact O-N 2.77Å; D227-R349 IonicContact OD1-CZ 3.26Å; D227-R349 IonicContact OD1-NE 2.85Å; D227-R349 PolarHBondContact OD1-NE 3.47Å; D227-R349 IonicContact OD1-NH2 3.78Å; D227-R349 PolarHBondContact OD1-NH2 2.97Å
228V95.1Very high95.4Very high11 Ų1134.3 Ų34.37%0.06719%0.192CC..THydrogen-bonded Turntrans-64.2-22.8-169.472.90000113.2T99 H100 A101 N105 H108 L109 L112 M230T99-V228 HydrophobicContact CG2-CG2 4.2Å; T99-V228 VanDerWaalsContact OG1-CA 3.26Å; T99-V228 WeakPolarHBondContact OG1-CA 3Å; T99-V228 PolarHBondContact OG1-N 3.4Å; T99-V228 VanDerWaalsContact OG1-N 3.16Å; H100-V228 WeakPolarHBondContact O-CB 3.31Å; A101-V228 HydrophobicContact CB-CB 4.14Å; A101-V228 HydrophobicContact CB-CG1 3.94Å; A101-V228 HydrophobicContact CB-CG2 4.07Å; N105-V228 HydrophobicContact CB-CG1 4.04Å; H108-V228 HydrophobicContact CB-CG1 4.32Å; H108-V228 HydrophobicContact CB-CG2 3.92Å; H108-V228 VanDerWaalsContact CB-O 3.29Å; H108-V228 WeakPolarHBondContact CB-O 3.45Å; L109-V228 HydrophobicContact CD2-CG2 4.24Å; L112-V228 HydrophobicContact CD1-CG2 4.18Å; V228-M230 VanDerWaalsContact C-N 3.31Å
229D91.6Very high95.6Very high28 Ų2830 Ų3015%0.1518%0.175CC..THydrogen-bonded Turntrans-86.84.4178.762.1-4.8000113.8D227 H373 K377D227-D229 WeakPolarHBondContact CB-OD1 3.4Å; D227-D229 PolarHBondContact O-N 3.42Å; D227-D229 VanDerWaalsContact O-N 3.13Å; D229-H373 VanDerWaalsContact CG-CD2 3.41Å; D229-H373 IonicContact OD1-CD2 2.64Å; D229-H373 IonicContact OD2-CD2 3.79Å; D229-H373 PolarHBondContact OD2-CD2 3.33Å; D229-H373 VanDerWaalsContact OD2-CD2 3.27Å; D229-H373 IonicContact OD2-NE2 3.73Å; D229-H373 PolarHBondContact OD2-NE2 3.28Å; D229-K377 IonicContact OD2-NZ 3.74Å; D229-K377 PolarHBondContact OD2-NZ 3.09Å
230M95.1Very high95.9Very high0 Ų026.4 Ų26.40%014%0.138CC..EExtended strand (participates in β ladder)trans-91.1138.4173.6-56.6-67.7-69.200110.2L112 I226 D227 V228 A259 F287 F328 L371 H373L112-M230 WeakPolarHBondContact CD2-O 3.39Å; I226-M230 HydrophobicContact CB-CB 4.32Å; I226-M230 HydrophobicContact CD1-CB 4.16Å; D227-M230 HydrophobicContact CB-CG 3.93Å; D227-M230 WeakPolarHBondContact O-CB 3.4Å; D227-M230 WeakPolarHBondContact O-CG 3.45Å; D227-M230 PolarHBondContact O-N 2.77Å; V228-M230 VanDerWaalsContact C-N 3.31Å; M230-A259 HydrophobicContact CE-CB 3.9Å; M230-F287 HydrophobicContact CE-CD2 4.2Å; M230-F287 HydrophobicContact CE-CE2 4.17Å; M230-F287 HydrophobicContact SD-CD2 4.36Å; M230-F287 HydrophobicContact SD-CE2 3.77Å; M230-F287 HydrophobicContact SD-CZ 4.1Å; M230-F328 HydrophobicContact CE-CE1 4.35Å; M230-F328 HydrophobicContact CE-CE2 4.03Å; M230-F328 HydrophobicContact CE-CZ 3.85Å; M230-F328 HydrophobicContact CG-CE1 4.23Å; M230-F328 HydrophobicContact CG-CZ 4.3Å; M230-F328 HydrophobicContact SD-CZ 4.27Å; M230-L371 HydrophobicContact CE-CB 3.7Å; M230-L371 HydrophobicContact CE-CD1 4.35Å; M230-H373 HydrophobicContact CE-CB 4.36Å; M230-H373 HydrophobicContact SD-CB 3.58Å; M230-H373 VanDerWaalsContact SD-CB 3.58Å
231V95.6Very high96Very high25 Ų2529.7 Ų29.715%0.15215%0.146CC..EExtended strand (participates in β ladder)trans-115.6125.5178.5-177.20000109.9R115 M268 L371 V372R115-V231 HydrophobicContact CB-CG1 4.13Å; R115-V231 HydrophobicContact CG-CG1 3.65Å; V231-M268 HydrophobicContact CB-CE 3.78Å; V231-M268 HydrophobicContact CG2-CE 3.82Å; V231-L371 CarbonylContact O-C 3.56Å; V231-L371 WeakPolarHBondContact O-CA 3.36Å; V231-V372 PolarHBondContact N-O 2.97Å; V231-V372 PolarHBondContact O-N 3.34Å
232P97.8Very high96.2Very high1 Ų130.4 Ų30.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-74.4155.3176.128.7-31.3000113R115 W116 L236 L371R115-P232 HydrophobicContact CB-CG 3.92Å; R115-P232 PolarHBondContact NE-O 3.33Å; W116-P232 HydrophobicContact CB-CG 4.49Å; W116-P232 HydrophobicContact CE3-CB 4.48Å; W116-P232 HydrophobicContact CE3-CG 4.24Å; P232-L236 HydrophobicContact CB-CD2 3.9Å; P232-L371 HydrophobicContact CB-CD2 3.86Å
233S97.3Very high96Very high6 Ų629.9 Ų29.94%0.04214%0.144CC..PPolyproline II helixtrans-60.2147.4166610000110.6L236 F370S233-L236 WeakPolarHBondContact O-CB 3.31Å; S233-L236 PolarHBondContact O-N 3.04Å; S233-F370 PolarHBondContact N-O 3.43Å; S233-F370 PolarHBondContact OG-N 3.36Å
234E96.6Very high95.8Very high114 Ų11429.4 Ų29.453%0.53314%0.141SC..THydrogen-bonded Turntrans-61.3142.2178.9-173.7173.3-158.500110.9L236 M270E234-L236 PolarHBondContact O-N 3.01Å; E234-M270 HydrophobicContact CB-CB 4.29Å; E234-M270 PolarHBondContact N-O 2.88Å
235G96.4Very high95.3Very high23 Ų2333.3 Ų33.324%0.23716%0.161CC..THydrogen-bonded Turntrans71.83.3179.200000115.4W237 R238 G239G235-W237 VanDerWaalsContact C-N 3.31Å; G235-W237 PolarHBondContact O-N 2.88Å; G235-R238 PolarHBondContact O-N 2.8Å; G235-G239 PolarHBondContact O-N 3.01Å
236L97.9Very high94.8Very high3 Ų340.5 Ų40.52%0.01620%0.195CC..Hα-helixtrans-57.1-43.7-178.9-179.956.8000112.1W116 L224 P232 S233 E234 L240 V257 L313W116-L236 HydrophobicContact CZ3-CB 4.38Å; W116-L236 HydrophobicContact CZ3-CD2 4.28Å; W116-L236 HydrophobicContact CZ3-CG 4.14Å; L224-L236 HydrophobicContact CD2-CD2 4.02Å; P232-L236 HydrophobicContact CB-CD2 3.9Å; S233-L236 WeakPolarHBondContact O-CB 3.31Å; S233-L236 PolarHBondContact O-N 3.04Å; E234-L236 PolarHBondContact O-N 3.01Å; L236-L240 HydrophobicContact CD1-CD1 4.01Å; L236-L240 HydrophobicContact CD1-CG 4.09Å; L236-L240 HydrophobicContact CG-CD1 3.91Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CB 3.38Å; L236-L240 WeakPolarHBondContact O-CD1 3.48Å; L236-L240 WeakPolarHBondContact O-CG 3.34Å; L236-L240 PolarHBondContact O-N 2.85Å; L236-V257 HydrophobicContact CD2-CG1 4.18Å; L236-L313 HydrophobicContact CD1-CD1 4.45Å; L236-L313 HydrophobicContact CD1-CD2 3.97Å
237W97.5Very high93.8Very high32 Ų3241.9 Ų41.912%0.12120%0.204CC..Hα-helixtrans-62.7-45.2178.2173.376.4000112D94 V95 W116 E117 G118 G235 L240 R241D94-W237 WeakPolarHBondContact OD1-CZ2 3.46Å; V95-W237 PolarHBondContact O-NE1 3.44Å; W116-W237 HydrophobicContact CD2-CB 3.85Å; W116-W237 HydrophobicContact CD2-CG 4.43Å; W116-W237 AromaticContact CE2-CD1 3.65Å; W116-W237 AromaticContact CE2-CG 3.97Å; W116-W237 HydrophobicContact CE3-CB 3.81Å; W116-W237 HydrophobicContact CH2-CB 3.87Å; W116-W237 HydrophobicContact CH2-CG 4.36Å; W116-W237 HydrophobicContact CZ2-CB 3.9Å; W116-W237 AromaticContact CZ2-CD1 3.41Å; W116-W237 VanDerWaalsContact CZ2-CD1 3.41Å; W116-W237 AromaticContact CZ2-CG 4Å; W116-W237 HydrophobicContact CZ2-CG 4Å; W116-W237 HydrophobicContact CZ3-CB 3.81Å; W116-W237 AromaticContact NE1-CD1 3.98Å; E117-W237 HydrophobicContact CB-CE3 3.79Å; E117-W237 HydrophobicContact CB-CZ3 4.19Å; G118-W237 VanDerWaalsContact CA-CD2 3.48Å; G235-W237 VanDerWaalsContact C-N 3.31Å; G235-W237 PolarHBondContact O-N 2.88Å; W237-L240 PolarHBondContact O-N 2.86Å; W237-R241 WeakPolarHBondContact O-CB 3.49Å; W237-R241 PolarHBondContact O-N 2.84Å
238R96.1Very high92.7Very high138 Ų13847.8 Ų47.852%0.52124%0.236SC..Hα-helixtrans-61.3-48.9178.9-65.9-173.8-175.9139.54.2111.4E117 G235 L240 R241 E242E117-R238 IonicContact OE1-CZ 3.42Å; E117-R238 IonicContact OE1-NE 3.13Å; E117-R238 IonicContact OE1-NH1 3.77Å; E117-R238 IonicContact OE1-NH2 3.06Å; G235-R238 PolarHBondContact O-N 2.8Å; R238-L240 VanDerWaalsContact C-N 3.29Å; R238-L240 PolarHBondContact O-N 2.89Å; R238-R241 PolarHBondContact O-N 3Å; R238-E242 WeakPolarHBondContact O-CG 3.39Å; R238-E242 PolarHBondContact O-N 2.9Å
239G96.3Very high91.8Very high12 Ų1255.2 Ų55.212%0.12427%0.27CS..Hα-helixtrans-61.9-37.2178.300000112.7G235 M243 L313G235-G239 PolarHBondContact O-N 3.01Å; G239-M243 VanDerWaalsContact O-CB 3.29Å; G239-M243 WeakPolarHBondContact O-CB 3.24Å; G239-M243 PolarHBondContact O-N 2.91Å; G239-M243 VanDerWaalsContact O-N 3.08Å; G239-L313 VanDerWaalsContact C-CD2 3.47Å
240L96.1Very high91.4Very high0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-65.6-47.3174.5-74.5167.7000111.4V95 W116 L236 W237 R238 M243 L244 L313 V330 L366V95-L240 HydrophobicContact CG1-CD1 4.31Å; V95-L240 HydrophobicContact CG2-CB 3.9Å; V95-L240 HydrophobicContact CG2-CD1 4.38Å; W116-L240 HydrophobicContact CH2-CD1 4.02Å; W116-L240 HydrophobicContact CZ3-CD1 4.41Å; L236-L240 HydrophobicContact CD1-CD1 4.01Å; L236-L240 HydrophobicContact CD1-CG 4.09Å; L236-L240 HydrophobicContact CG-CD1 3.91Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CB 3.38Å; L236-L240 WeakPolarHBondContact O-CD1 3.48Å; L236-L240 WeakPolarHBondContact O-CG 3.34Å; L236-L240 PolarHBondContact O-N 2.85Å; W237-L240 PolarHBondContact O-N 2.86Å; R238-L240 VanDerWaalsContact C-N 3.29Å; R238-L240 PolarHBondContact O-N 2.89Å; L240-M243 HydrophobicContact CD2-CE 3.94Å; L240-M243 PolarHBondContact O-N 3.4Å; L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 WeakPolarHBondContact O-CG 3.4Å; L240-L244 PolarHBondContact O-N 3.36Å; L240-L313 HydrophobicContact CB-CD2 4.4Å; L240-L313 HydrophobicContact CD2-CD2 3.78Å; L240-L313 HydrophobicContact CG-CD2 3.73Å; L240-V330 HydrophobicContact CD1-CG2 3.6Å; L240-V330 HydrophobicContact CD2-CB 4.41Å; L240-V330 HydrophobicContact CD2-CG2 3.87Å; L240-V330 HydrophobicContact CG-CG2 4.4Å; L240-L366 HydrophobicContact CD2-CD1 3.98Å
241R94.6Very high90.8Very high91 Ų9157 Ų5734%0.34328%0.283SS..Hα-helixtrans-59.8-48.5178.7-178.6176.6164.3169.4-2.3111.3D94 W237 R238 M243 L244 D245D94-R241 IonicContact OD1-NH1 3.85Å; W237-R241 WeakPolarHBondContact O-CB 3.49Å; W237-R241 PolarHBondContact O-N 2.84Å; R238-R241 PolarHBondContact O-N 3Å; R241-M243 VanDerWaalsContact C-N 3.29Å; R241-M243 PolarHBondContact O-N 3.48Å; R241-L244 PolarHBondContact O-N 3.31Å; R241-D245 IonicContact NE-OD2 3.96Å; R241-D245 WeakPolarHBondContact O-CB 3.43Å; R241-D245 VanDerWaalsContact O-CG 3.26Å; R241-D245 PolarHBondContact O-N 3.46Å
242E93.5Very high90.5Very high103 Ų10359.3 Ų59.348%0.48130%0.3SS..Hα-helixtrans-57.5-41.1176.6-73.3173.3-167.800112.4R238 Q246R238-E242 WeakPolarHBondContact O-CG 3.39Å; R238-E242 PolarHBondContact O-N 2.9Å; E242-Q246 VanDerWaalsContact O-CG 3.26Å; E242-Q246 WeakPolarHBondContact O-CG 3.1Å; E242-Q246 PolarHBondContact O-N 2.81Å; E242-Q246 PolarHBondContact O-NE2 3.21Å
243M92.4Very high90.4Very high11 Ų1160 Ų605%0.05430%0.304CS..Hα-helixtrans-70.9-37.9178.6-177.7-176.669.500112.8G239 L240 R241 W250 L255 P315 L366G239-M243 VanDerWaalsContact O-CB 3.29Å; G239-M243 WeakPolarHBondContact O-CB 3.24Å; G239-M243 PolarHBondContact O-N 2.91Å; G239-M243 VanDerWaalsContact O-N 3.08Å; L240-M243 HydrophobicContact CD2-CE 3.94Å; L240-M243 PolarHBondContact O-N 3.4Å; R241-M243 VanDerWaalsContact C-N 3.29Å; R241-M243 PolarHBondContact O-N 3.48Å; M243-W250 HydrophobicContact CG-CZ2 3.88Å; M243-W250 PolarHBondContact O-NE1 2.96Å; M243-W250 HydrophobicContact SD-CH2 4.46Å; M243-W250 HydrophobicContact SD-CZ2 4.3Å; M243-L255 HydrophobicContact CE-CD1 3.41Å; M243-L255 VanDerWaalsContact CE-CD1 3.41Å; M243-L255 HydrophobicContact CE-CD2 4.09Å; M243-L255 HydrophobicContact CE-CG 4.33Å; M243-P315 HydrophobicContact SD-CG 4.41Å; M243-L366 HydrophobicContact CE-CD2 4.08Å; M243-L366 HydrophobicContact SD-CD2 4.24Å
244L91.6Very high90.4Very high0 Ų059.7 Ų59.70%030%0.302CS..Hα-helixtrans-73.6-34.7178.2-67.3175.9000111.7V95 Y222 L240 R241 Q246 S247 W250 L255V95-L244 HydrophobicContact CG2-CD1 3.35Å; Y222-L244 HydrophobicContact CD1-CD1 3.99Å; Y222-L244 HydrophobicContact CD1-CD2 4.09Å; Y222-L244 HydrophobicContact CD2-CD1 3.79Å; Y222-L244 HydrophobicContact CE1-CD1 4.34Å; Y222-L244 HydrophobicContact CE1-CD2 3.73Å; Y222-L244 HydrophobicContact CE2-CD1 4.14Å; Y222-L244 HydrophobicContact CE2-CD2 4.34Å; Y222-L244 HydrophobicContact CG-CD1 3.71Å; L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 WeakPolarHBondContact O-CG 3.4Å; L240-L244 PolarHBondContact O-N 3.36Å; R241-L244 PolarHBondContact O-N 3.31Å; L244-Q246 PolarHBondContact O-N 2.98Å; L244-S247 PolarHBondContact O-N 2.69Å; L244-W250 HydrophobicContact CD2-CB 3.99Å; L244-W250 HydrophobicContact CD2-CD2 4.45Å; L244-W250 HydrophobicContact CD2-CG 3.65Å; L244-L255 HydrophobicContact CD2-CD1 4.36Å
245D89.6Confident90.4Very high81 Ų8154.3 Ų54.343%0.43328%0.277SS..Hα-helixtrans-64.1-26.2175.5-76.2-23.6000112.4N93 R241N93-D245 WeakPolarHBondContact CB-OD1 3.38Å; N93-D245 PolarHBondContact ND2-OD1 3.38Å; R241-D245 IonicContact NE-OD2 3.96Å; R241-D245 WeakPolarHBondContact O-CB 3.43Å; R241-D245 VanDerWaalsContact O-CG 3.26Å; R241-D245 PolarHBondContact O-N 3.46Å
246Q86.3Confident90.6Very high158 Ų15853.2 Ų53.274%0.73827%0.266SS*.THydrogen-bonded Turntrans-80.1-17.8-179.2-72.2170.731.500114.2E242 L244E242-Q246 VanDerWaalsContact O-CG 3.26Å; E242-Q246 WeakPolarHBondContact O-CG 3.1Å; E242-Q246 PolarHBondContact O-N 2.81Å; E242-Q246 PolarHBondContact O-NE2 3.21Å; L244-Q246 PolarHBondContact O-N 2.98Å
247S78.4Confident90.6Very high28 Ų2853.1 Ų53.120%0.19627%0.266CS..  trans-159.3136.1-174.6-179.90000112.9L244 Q249 W250L244-S247 PolarHBondContact O-N 2.69Å; S247-Q249 VanDerWaalsContact C-N 3.27Å; S247-Q249 PolarHBondContact O-N 3.43Å; S247-Q249 WeakPolarHBondContact OG-CB 3.26Å; S247-Q249 VanDerWaalsContact OG-CG 3.31Å; S247-Q249 WeakPolarHBondContact OG-CG 3.21Å; S247-Q249 PolarHBondContact OG-N 3.16Å; S247-Q249 VanDerWaalsContact OG-N 3.15Å; S247-W250 PolarHBondContact O-NE1 3.19Å
248N71.1Confident90.6Very high139 Ų13951.6 Ų51.674%0.74326%0.26SS*.SBendtrans-86.89.7172.2-69.6-27.7000113.5W250N248-W250 VanDerWaalsContact C-N 3.25Å; N248-W250 PolarHBondContact O-N 3.06Å
249Q75.8Confident90.7Very high167 Ų16745.1 Ų45.178%0.7824%0.236SC*.THydrogen-bonded Turntrans-79.81.2-172.2-64.8-179.90.200114.6S247 G251S247-Q249 VanDerWaalsContact C-N 3.27Å; S247-Q249 PolarHBondContact O-N 3.43Å; S247-Q249 WeakPolarHBondContact OG-CB 3.26Å; S247-Q249 VanDerWaalsContact OG-CG 3.31Å; S247-Q249 WeakPolarHBondContact OG-CG 3.21Å; S247-Q249 PolarHBondContact OG-N 3.16Å; S247-Q249 VanDerWaalsContact OG-N 3.15Å; Q249-G251 PolarHBondContact O-N 3.36Å
250W82.9Confident90.8Very high37 Ų3744.5 Ų44.514%0.1423%0.23CC..THydrogen-bonded Turntrans-86.11-172.3-49.9109.8000115Y222 M243 L244 S247 N248 S252 T253 L255 P315Y222-W250 HydrophobicContact CE1-CB 3.96Å; M243-W250 HydrophobicContact CG-CZ2 3.88Å; M243-W250 PolarHBondContact O-NE1 2.96Å; M243-W250 HydrophobicContact SD-CH2 4.46Å; M243-W250 HydrophobicContact SD-CZ2 4.3Å; L244-W250 HydrophobicContact CD2-CB 3.99Å; L244-W250 HydrophobicContact CD2-CD2 4.45Å; L244-W250 HydrophobicContact CD2-CG 3.65Å; S247-W250 PolarHBondContact O-NE1 3.19Å; N248-W250 VanDerWaalsContact C-N 3.25Å; N248-W250 PolarHBondContact O-N 3.06Å; W250-S252 PolarHBondContact O-N 2.97Å; W250-T253 HydrophobicContact CE3-CG2 4.31Å; W250-T253 PolarHBondContact O-N 3.33Å; W250-T253 VanDerWaalsContact O-N 3.12Å; W250-L255 HydrophobicContact CE3-CD1 4.47Å; W250-L255 HydrophobicContact CE3-CD2 3.87Å; W250-L255 HydrophobicContact CE3-CG 4.45Å; W250-L255 HydrophobicContact CZ3-CD2 3.81Å; W250-P315 HydrophobicContact CH2-CG 3.48Å; W250-P315 VanDerWaalsContact CH2-CG 3.48Å; W250-P315 HydrophobicContact CZ3-CG 3.59Å
251G82.6Confident90.8Very high28 Ų2844.5 Ų44.529%0.28923%0.23SC..THydrogen-bonded Turntrans-65.4-5.8-173.600000116.2Q249Q249-G251 PolarHBondContact O-N 3.36Å
252S89.9Confident90.8Very high73 Ų7340.3 Ų40.351%0.5121%0.214SC..THydrogen-bonded Turntrans-137.924.1174.3-59.70000112.4W250 F361 D362W250-S252 PolarHBondContact O-N 2.97Å; S252-F361 VanDerWaalsContact C-CD1 3.47Å; S252-F361 VanDerWaalsContact O-CA 3.26Å; S252-F361 WeakPolarHBondContact O-CA 3.42Å; S252-D362 PolarHBondContact O-N 3.21Å; S252-D362 VanDerWaalsContact O-N 3.07Å
253T95.4Very high90.5Very high15 Ų1541.6 Ų41.69%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-118.7128.5178.2-56.50000109.7W250 L255 D362 E364W250-T253 HydrophobicContact CE3-CG2 4.31Å; W250-T253 PolarHBondContact O-N 3.33Å; W250-T253 VanDerWaalsContact O-N 3.12Å; T253-L255 HydrophobicContact CG2-CD2 4.16Å; T253-L255 HydrophobicContact CG2-CG 4.44Å; T253-D362 WeakPolarHBondContact CA-O 3.2Å; T253-E364 HydrophobicContact CG2-CB 4.17Å; T253-E364 HydrophobicContact CG2-CG 3.84Å
254A97.4Very high89.5Confident0 Ų051.8 Ų51.80%025%0.253CS..EExtended strand (participates in β ladder)trans-92.4105.916700000108.5V256 Y329 D362 F363 E364A254-V256 PolarHBondContact O-N 2.49Å; A254-V256 VanDerWaalsContact O-N 3.16Å; A254-Y329 HydrophobicContact CB-CD2 4.26Å; A254-Y329 HydrophobicContact CB-CG 4.23Å; A254-D362 PolarHBondContact N-O 3.44Å; A254-F363 HydrophobicContact CB-CD1 3.68Å; A254-F363 HydrophobicContact CB-CE1 3.92Å; A254-F363 HydrophobicContact CB-CG 4.43Å; A254-F363 WeakPolarHBondContact O-CA 3.5Å; A254-E364 PolarHBondContact O-N 2.87Å
255L97.9Very high88.3Confident1 Ų152.8 Ų52.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-78.498177.7-62.9162.5000108.6M243 L244 W250 T253 V257 P315 Y329 V330 E364 L366M243-L255 HydrophobicContact CE-CD1 3.41Å; M243-L255 VanDerWaalsContact CE-CD1 3.41Å; M243-L255 HydrophobicContact CE-CD2 4.09Å; M243-L255 HydrophobicContact CE-CG 4.33Å; L244-L255 HydrophobicContact CD2-CD1 4.36Å; W250-L255 HydrophobicContact CE3-CD1 4.47Å; W250-L255 HydrophobicContact CE3-CD2 3.87Å; W250-L255 HydrophobicContact CE3-CG 4.45Å; W250-L255 HydrophobicContact CZ3-CD2 3.81Å; T253-L255 HydrophobicContact CG2-CD2 4.16Å; T253-L255 HydrophobicContact CG2-CG 4.44Å; L255-V257 PolarHBondContact O-N 3.13Å; L255-P315 HydrophobicContact CD2-CG 3.92Å; L255-Y329 CarbonylContact O-C 3.56Å; L255-Y329 WeakPolarHBondContact O-CA 3.19Å; L255-V330 HydrophobicContact CB-CB 4.18Å; L255-V330 HydrophobicContact CD1-CB 4.44Å; L255-V330 PolarHBondContact N-O 2.9Å; L255-V330 PolarHBondContact O-N 3.17Å; L255-E364 CarbonylContact C-O 3.47Å; L255-E364 WeakPolarHBondContact CA-O 3.23Å; L255-L366 HydrophobicContact CB-CD2 4.26Å; L255-L366 HydrophobicContact CB-CG 4.4Å; L255-L366 HydrophobicContact CD2-CD2 4.12Å
256V98.6Very high87.3Confident1 Ų161.5 Ų61.51%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-71.4126.9-175.8176.90000109.9A254 P258 T299 W325 P327 F328 F363 E364 V365 L366A254-V256 PolarHBondContact O-N 2.49Å; A254-V256 VanDerWaalsContact O-N 3.16Å; V256-P258 WeakPolarHBondContact O-CD 3.38Å; V256-T299 HydrophobicContact CG1-CG2 4.42Å; V256-W325 HydrophobicContact CG1-CZ2 4.11Å; V256-W325 HydrophobicContact CG2-CH2 3.77Å; V256-W325 HydrophobicContact CG2-CZ2 3.98Å; V256-P327 HydrophobicContact CG1-CB 4.09Å; V256-P327 HydrophobicContact CG2-CB 4.25Å; V256-F328 WeakPolarHBondContact CA-O 3.42Å; V256-F363 HydrophobicContact CG2-CB 4.09Å; V256-F363 HydrophobicContact CG2-CD1 4.07Å; V256-E364 PolarHBondContact N-O 2.78Å; V256-V365 HydrophobicContact CB-CG2 4.06Å; V256-V365 HydrophobicContact CG1-CG2 4.17Å; V256-L366 PolarHBondContact O-N 3.03Å
257V98.7Very high87.2Confident1 Ų160.7 Ų60.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-102109.2174.1-171.50000107.7L224 L236 L255 A259 F328 V330 L366 L371L224-V257 HydrophobicContact CD1-CG2 3.98Å; L224-V257 HydrophobicContact CD2-CG2 4.46Å; L236-V257 HydrophobicContact CD2-CG1 4.18Å; L255-V257 PolarHBondContact O-N 3.13Å; V257-A259 PolarHBondContact O-N 2.91Å; V257-F328 PolarHBondContact N-O 3.32Å; V257-V330 HydrophobicContact CG2-CG2 4.2Å; V257-L366 HydrophobicContact CG2-CD1 3.98Å; V257-L371 HydrophobicContact CG1-CD2 4.45Å; V257-L371 HydrophobicContact CG1-CG 3.87Å
258P98.4Very high87.9Confident0 Ų060.7 Ų60.70%028%0.275CS..  trans-55.9132.1177.7-31.539.9000112.8V256 F260 T299 Y301 W304 V365 G369 F370 L371V256-P258 WeakPolarHBondContact O-CD 3.38Å; P258-F260 HydrophobicContact CB-CE2 3.77Å; P258-F260 HydrophobicContact CB-CZ 4.34Å; P258-T299 HydrophobicContact CB-CG2 4.1Å; P258-T299 HydrophobicContact CG-CG2 3.98Å; P258-Y301 HydrophobicContact CB-CE1 4.26Å; P258-W304 HydrophobicContact CB-CD2 4.38Å; P258-W304 HydrophobicContact CG-CD2 4.17Å; P258-W304 HydrophobicContact CG-CG 4.07Å; P258-W304 HydrophobicContact CG-CZ2 4.48Å; P258-V365 HydrophobicContact CG-CG1 3.56Å; P258-G369 WeakPolarHBondContact CD-O 3.34Å; P258-F370 CarbonylContact O-C 3.59Å; P258-F370 VanDerWaalsContact O-CA 3.25Å; P258-F370 WeakPolarHBondContact O-CA 3.33Å; P258-F370 WeakPolarHBondContact O-CB 3.42Å; P258-L371 PolarHBondContact O-N 3Å
259A98.2Very high89Confident1 Ų154.1 Ų54.11%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-110.5139.718000000111.6M230 V257 F287 Y301 F328 L371M230-A259 HydrophobicContact CE-CB 3.9Å; V257-A259 PolarHBondContact O-N 2.91Å; A259-F287 HydrophobicContact CB-CB 3.77Å; A259-F287 HydrophobicContact CB-CG 4.22Å; A259-F287 WeakPolarHBondContact O-CB 3.33Å; A259-F287 PolarHBondContact O-N 3.01Å; A259-Y301 WeakPolarHBondContact O-CE1 3.38Å; A259-Y301 PolarHBondContact O-OH 3.01Å; A259-F328 HydrophobicContact CB-CD2 3.44Å; A259-F328 VanDerWaalsContact CB-CD2 3.44Å; A259-F328 HydrophobicContact CB-CE2 3.62Å; A259-F328 HydrophobicContact CB-CG 4.4Å; A259-L371 CarbonylContact C-O 3.54Å; A259-L371 WeakPolarHBondContact CA-O 3.29Å; A259-L371 HydrophobicContact CB-CB 4.32Å
260F97.9Very high90Very high0 Ų048.5 Ų48.50%021%0.214CC..EExtended strand (participates in β ladder)trans-130166.4-178.6-62.9-94.3000111.3P258 L275 Y279 V284 R285 Y301 W304 F370 L371 V372 H373P258-F260 HydrophobicContact CB-CE2 3.77Å; P258-F260 HydrophobicContact CB-CZ 4.34Å; F260-L275 HydrophobicContact CB-CD1 4.41Å; F260-L275 HydrophobicContact CD2-CD1 4.4Å; F260-L275 HydrophobicContact CD2-CD2 3.73Å; F260-L275 HydrophobicContact CE1-CD2 4.43Å; F260-L275 HydrophobicContact CE2-CD2 3.57Å; F260-L275 HydrophobicContact CG-CD1 4.32Å; F260-L275 HydrophobicContact CG-CD2 4.25Å; F260-L275 HydrophobicContact CZ-CD2 3.94Å; F260-Y279 HydrophobicContact CD1-CD2 4.46Å; F260-Y279 HydrophobicContact CE1-CD2 4.17Å; F260-Y279 HydrophobicContact CE1-CE2 4.33Å; F260-V284 HydrophobicContact CB-CG1 3.78Å; F260-V284 HydrophobicContact CD1-CG1 3.68Å; F260-V284 HydrophobicContact CG-CG1 4Å; F260-R285 CarbonylContact C-O 3.51Å; F260-R285 WeakPolarHBondContact CA-O 3.23Å; F260-R285 WeakPolarHBondContact CB-O 3.35Å; F260-Y301 HydrophobicContact CD1-CD1 4.25Å; F260-Y301 HydrophobicContact CD1-CE1 4.23Å; F260-Y301 AromaticContact CE1-CD1 3.48Å; F260-Y301 HydrophobicContact CE1-CD1 3.48Å; F260-Y301 VanDerWaalsContact CE1-CD1 3.48Å; F260-Y301 AromaticContact CE1-CE1 3.84Å; F260-Y301 HydrophobicContact CE1-CE1 3.84Å; F260-Y301 HydrophobicContact CE2-CD1 4.32Å; F260-Y301 HydrophobicContact CE2-CE1 4.14Å; F260-Y301 AromaticContact CZ-CD1 3.52Å; F260-Y301 HydrophobicContact CZ-CD1 3.52Å; F260-Y301 AromaticContact CZ-CE1 3.79Å; F260-Y301 HydrophobicContact CZ-CE1 3.79Å; F260-W304 HydrophobicContact CE2-CE3 4.17Å; F260-W304 HydrophobicContact CE2-CH2 4.11Å; F260-W304 AromaticContact CE2-CZ3 3.77Å; F260-W304 HydrophobicContact CE2-CZ3 3.77Å; F260-W304 AromaticContact CZ-CE3 3.67Å; F260-W304 HydrophobicContact CZ-CE3 3.67Å; F260-W304 HydrophobicContact CZ-CH2 4.35Å; F260-W304 AromaticContact CZ-CZ3 3.55Å; F260-W304 HydrophobicContact CZ-CZ3 3.55Å; F260-F370 HydrophobicContact CD2-CB 4.18Å; F260-F370 HydrophobicContact CE2-CB 4.08Å; F260-L371 PolarHBondContact N-O 3.27Å; F260-V372 CarbonylContact O-C 3.53Å; F260-V372 WeakPolarHBondContact O-CA 3.41Å; F260-H373 PolarHBondContact O-N 2.82Å
261E95.8Very high90.6Very high0 Ų050.1 Ų50.10%023%0.226CC..EExtended strand (participates in β ladder)trans-126144.3168.157.9-174.817400110.4V284 R285 H373 F376 K377E261-V284 WeakPolarHBondContact O-CA 3.35Å; E261-R285 HydrophobicContact CG-CG 3.58Å; E261-R285 PolarHBondContact N-O 3.07Å; E261-R285 PolarHBondContact O-N 2.85Å; E261-R285 IonicContact OE1-CZ 3.07Å; E261-R285 IonicContact OE1-NE 3.61Å; E261-R285 PolarHBondContact OE1-NE 2.87Å; E261-R285 IonicContact OE1-NH2 2.7Å; E261-R285 PolarHBondContact OE1-NH2 3.04Å; E261-R285 IonicContact OE2-NH2 3.59Å; E261-H373 WeakPolarHBondContact CA-O 3.36Å; E261-H373 HydrophobicContact CB-CB 4.29Å; E261-F376 HydrophobicContact CB-CD1 4.12Å; E261-F376 HydrophobicContact CG-CD1 3.72Å; E261-F376 HydrophobicContact CG-CE1 4.11Å; E261-F376 WeakPolarHBondContact O-CE1 3.5Å; E261-F376 WeakPolarHBondContact OE2-CA 3.3Å; E261-K377 PolarHBondContact OE2-N 2.87Å
262I93.9Very high91.3Very high3 Ų349.1 Ų49.12%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-121.4130.8-176.7-169.9161.6000111.3A265 M268 L278 E283 V284 V372 H373 G375I262-A265 HydrophobicContact CD1-CB 3.33Å; I262-A265 HydrophobicContact CG1-CB 3.77Å; I262-A265 HydrophobicContact CG2-CB 4.11Å; I262-M268 HydrophobicContact CG2-CE 4.32Å; I262-M268 HydrophobicContact CG2-SD 3.76Å; I262-L278 HydrophobicContact CD1-CD1 3.85Å; I262-E283 WeakPolarHBondContact CA-O 3.44Å; I262-V284 HydrophobicContact CB-CG2 4.02Å; I262-V284 HydrophobicContact CD1-CG2 3.71Å; I262-V284 HydrophobicContact CG1-CG2 3.77Å; I262-V372 HydrophobicContact CB-CG1 3.83Å; I262-V372 HydrophobicContact CG2-CG1 3.6Å; I262-H373 WeakPolarHBondContact CG2-O 3.38Å; I262-H373 PolarHBondContact N-O 2.96Å; I262-G375 CarbonylContact O-C 3.43Å; I262-G375 WeakPolarHBondContact O-CA 3.37Å; I262-G375 PolarHBondContact O-N 3.48Å
263R88Confident91.6Very high129 Ų12948.5 Ų48.549%0.48720%0.204SC..SBendtrans-62.7-59.9-167.6-169.216760.51672.2113.7E283 F376R263-E283 IonicContact CZ-OE1 3.27Å; R263-E283 IonicContact CZ-OE2 3.03Å; R263-E283 PolarHBondContact N-O 3.13Å; R263-E283 IonicContact NE-OE1 3.7Å; R263-E283 IonicContact NE-OE2 2.77Å; R263-E283 PolarHBondContact NE-OE2 3.23Å; R263-E283 VanDerWaalsContact NH2-CD 3.35Å; R263-E283 IonicContact NH2-OE1 3.03Å; R263-E283 PolarHBondContact NH2-OE1 3.36Å; R263-E283 IonicContact NH2-OE2 3.74Å; R263-E283 PolarHBondContact NH2-OE2 3.45Å; R263-F376 HydrophobicContact CB-CD1 4.21Å; R263-F376 HydrophobicContact CB-CD2 4.2Å; R263-F376 HydrophobicContact CB-CE1 3.76Å; R263-F376 HydrophobicContact CB-CE2 3.74Å; R263-F376 HydrophobicContact CB-CG 4.44Å; R263-F376 HydrophobicContact CB-CZ 3.51Å; R263-F376 HydrophobicContact CG-CD2 4.02Å; R263-F376 HydrophobicContact CG-CE2 3.8Å; R263-F376 HydrophobicContact CG-CZ 4.13Å
264R72.1Confident91.6Very high226 Ų22649.7 Ų49.785%0.85321%0.209SC*.SBendtrans-154.171.8-177.5-69.6-172.8-176.8-169.50.3109.9
265A65.6Low91.6Very high21 Ų2149.8 Ų49.817%0.17421%0.209CC..  trans-79.3130.817600000110.9I262 R267 M268I262-A265 HydrophobicContact CD1-CB 3.33Å; I262-A265 HydrophobicContact CG1-CB 3.77Å; I262-A265 HydrophobicContact CG2-CB 4.11Å; A265-R267 VanDerWaalsContact C-N 3.27Å; A265-R267 VanDerWaalsContact CB-O 3.23Å; A265-R267 WeakPolarHBondContact CB-O 3Å; A265-M268 HydrophobicContact CB-SD 4.48Å
266R68.3Low91.6Very high263 Ų26350.8 Ų50.899%0.99222%0.215SC*.SBendtrans-68.4-32.6159.7-69.4-169.8-177.3-157.81.9110.9
267R84.9Confident91.4Very high142 Ų14256.7 Ų56.754%0.53624%0.243SC..SBendtrans-138.1136.9179.3-168.2179.173.2122.34.4110A265 M270 E274A265-R267 VanDerWaalsContact C-N 3.27Å; A265-R267 VanDerWaalsContact CB-O 3.23Å; A265-R267 WeakPolarHBondContact CB-O 3Å; R267-M270 PolarHBondContact NH1-SD 2.83Å; R267-E274 IonicContact CZ-OE1 3.91Å; R267-E274 IonicContact CZ-OE2 2.93Å; R267-E274 IonicContact NH1-OE1 3.73Å; R267-E274 IonicContact NH2-OE1 2.89Å; R267-E274 PolarHBondContact NH2-OE1 3.44Å; R267-E274 IonicContact NH2-OE2 3.67Å; R267-E274 PolarHBondContact NH2-OE2 3.17Å
268M92.1Very high91.3Very high27 Ų2759.1 Ų59.113%0.13326%0.256CS..  trans-76.3135.3176.4-63.9-66.9-86.600110.1R115 V231 I262 A265 M270 V372 K374R115-M268 PolarHBondContact NH2-O 3.34Å; R115-M268 VanDerWaalsContact NH2-O 3.07Å; V231-M268 HydrophobicContact CB-CE 3.78Å; V231-M268 HydrophobicContact CG2-CE 3.82Å; I262-M268 HydrophobicContact CG2-CE 4.32Å; I262-M268 HydrophobicContact CG2-SD 3.76Å; A265-M268 HydrophobicContact CB-SD 4.48Å; M268-M270 PolarHBondContact O-N 2.84Å; M268-V372 HydrophobicContact CE-CB 3.56Å; M268-V372 HydrophobicContact CE-CG1 3.59Å; M268-V372 VanDerWaalsContact CE-O 3.28Å; M268-V372 WeakPolarHBondContact CE-O 3.41Å; M268-V372 HydrophobicContact SD-CG1 4.4Å; M268-K374 HydrophobicContact SD-CB 4.48Å
269P95.6Very high91.1Very high2 Ų262.6 Ų62.61%0.01327%0.269CS..  trans-60.5132179.825.3-32.9000110.5R115 E274 L275 L278 F370 V372R115-P269 VanDerWaalsContact NH2-C 3.34Å; R115-P269 PolarHBondContact NH2-O 3.39Å; P269-E274 WeakPolarHBondContact CA-OE2 3.49Å; P269-E274 HydrophobicContact CB-CB 3.87Å; P269-L275 HydrophobicContact CB-CB 4.08Å; P269-L275 HydrophobicContact CB-CD1 4.39Å; P269-L275 HydrophobicContact CG-CB 4.23Å; P269-L275 HydrophobicContact CG-CD1 3.61Å; P269-L278 HydrophobicContact CB-CD1 4.11Å; P269-L278 HydrophobicContact CG-CD1 4.23Å; P269-F370 HydrophobicContact CB-CZ 4.42Å; P269-F370 HydrophobicContact CG-CE2 4.16Å; P269-F370 HydrophobicContact CG-CZ 4.45Å; P269-V372 HydrophobicContact CG-CG2 4.11Å
270M95.2Very high91Very high49 Ų4969.7 Ų69.724%0.24130%0.302CS..  trans-85.5-36.5-174-57.9-173.9-47.100111.8E234 R267 M268 E274E234-M270 HydrophobicContact CB-CB 4.29Å; E234-M270 PolarHBondContact N-O 2.88Å; R267-M270 PolarHBondContact NH1-SD 2.83Å; M268-M270 PolarHBondContact O-N 2.84Å; M270-E274 PolarHBondContact N-OE2 3.44Å
271N96.1Very high90.8Very high71 Ų7174.8 Ų74.838%0.3833%0.333SS..SBendtrans-133.3171.1-177.258.454.6000111.2N273 E274 L275N271-N273 VanDerWaalsContact C-N 3.31Å; N271-N273 PolarHBondContact O-N 3.48Å; N271-N273 PolarHBondContact OD1-N 2.73Å; N271-E274 PolarHBondContact O-N 3.31Å; N271-E274 WeakPolarHBondContact OD1-CG 3.46Å; N271-E274 PolarHBondContact OD1-N 3.45Å; N271-L275 PolarHBondContact O-N 2.75Å; N271-L275 VanDerWaalsContact O-N 3.13Å
272K97.1Very high90.7Very high6 Ų677 Ų773%0.02636%0.355CS..Hα-helixtrans-63.2-36.6-174.3178.4-178.1173.8-172.60112.3E274 L275 V276 W304 N367 E368K272-E274 PolarHBondContact O-N 3.02Å; K272-L275 WeakPolarHBondContact O-CB 3.47Å; K272-L275 PolarHBondContact O-N 3.5Å; K272-V276 HydrophobicContact CG-CG2 4Å; K272-V276 WeakPolarHBondContact O-CB 3.38Å; K272-V276 VanDerWaalsContact O-CG2 3.31Å; K272-V276 WeakPolarHBondContact O-CG2 3.05Å; K272-V276 PolarHBondContact O-N 2.99Å; K272-W304 HydrophobicContact CB-CH2 4.26Å; K272-W304 HydrophobicContact CD-CH2 4.03Å; K272-W304 HydrophobicContact CD-CZ2 4.11Å; K272-W304 HydrophobicContact CD-CZ3 4.45Å; K272-W304 HydrophobicContact CG-CH2 3.65Å; K272-W304 HydrophobicContact CG-CZ2 4.22Å; K272-W304 HydrophobicContact CG-CZ3 3.99Å; K272-N367 WeakPolarHBondContact CE-O 3.41Å; K272-N367 PolarHBondContact NZ-O 3.23Å; K272-E368 WeakPolarHBondContact CB-OE2 3.48Å; K272-E368 VanDerWaalsContact CD-CD 3.48Å; K272-E368 VanDerWaalsContact CD-OE1 3.3Å; K272-E368 WeakPolarHBondContact CD-OE1 3.47Å; K272-E368 WeakPolarHBondContact CD-OE2 3.25Å; K272-E368 IonicContact NZ-OE1 3.7Å; K272-E368 PolarHBondContact NZ-OE1 2.85Å
273N96.1Very high90.7Very high61 Ų6179.4 Ų79.433%0.32637%0.367SS..Hα-helixtrans-58.9-49.6178-76.3-8.3000112N271 L275 V276 Q277 E309N271-N273 VanDerWaalsContact C-N 3.31Å; N271-N273 PolarHBondContact O-N 3.48Å; N271-N273 PolarHBondContact OD1-N 2.73Å; N273-L275 VanDerWaalsContact C-N 3.31Å; N273-L275 PolarHBondContact O-N 3.48Å; N273-V276 PolarHBondContact O-N 3.44Å; N273-Q277 VanDerWaalsContact O-CG 3.32Å; N273-Q277 WeakPolarHBondContact O-CG 3.49Å; N273-Q277 PolarHBondContact O-N 3.25Å; N273-E309 PolarHBondContact ND2-OE1 3.04Å; N273-E309 PolarHBondContact ND2-OE2 2.97Å; N273-E309 PolarHBondContact OD1-OE2 2.81Å
274E96.1Very high91.1Very high40 Ų4073.4 Ų73.419%0.18735%0.345CS..Hα-helixtrans-60.8-42.1175.5-68.8-176.6177.500111.5R267 P269 M270 N271 K272 Q277 L278R267-E274 IonicContact CZ-OE1 3.91Å; R267-E274 IonicContact CZ-OE2 2.93Å; R267-E274 IonicContact NH1-OE1 3.73Å; R267-E274 IonicContact NH2-OE1 2.89Å; R267-E274 PolarHBondContact NH2-OE1 3.44Å; R267-E274 IonicContact NH2-OE2 3.67Å; R267-E274 PolarHBondContact NH2-OE2 3.17Å; P269-E274 WeakPolarHBondContact CA-OE2 3.49Å; P269-E274 HydrophobicContact CB-CB 3.87Å; M270-E274 PolarHBondContact N-OE2 3.44Å; N271-E274 PolarHBondContact O-N 3.31Å; N271-E274 WeakPolarHBondContact OD1-CG 3.46Å; N271-E274 PolarHBondContact OD1-N 3.45Å; K272-E274 PolarHBondContact O-N 3.02Å; E274-Q277 PolarHBondContact O-N 2.85Å; E274-L278 WeakPolarHBondContact O-CG 3.33Å; E274-L278 PolarHBondContact O-N 3.18Å; E274-L278 VanDerWaalsContact O-N 3.17Å
275L97.1Very high92.2Very high1 Ų165 Ų651%0.00531%0.313CS..Hα-helixtrans-62.2-45.5178.1-177.182000111.9F260 P269 N271 K272 N273 L278 Y279 V284 W304 F370 V372F260-L275 HydrophobicContact CB-CD1 4.41Å; F260-L275 HydrophobicContact CD2-CD1 4.4Å; F260-L275 HydrophobicContact CD2-CD2 3.73Å; F260-L275 HydrophobicContact CE1-CD2 4.43Å; F260-L275 HydrophobicContact CE2-CD2 3.57Å; F260-L275 HydrophobicContact CG-CD1 4.32Å; F260-L275 HydrophobicContact CG-CD2 4.25Å; F260-L275 HydrophobicContact CZ-CD2 3.94Å; P269-L275 HydrophobicContact CB-CB 4.08Å; P269-L275 HydrophobicContact CB-CD1 4.39Å; P269-L275 HydrophobicContact CG-CB 4.23Å; P269-L275 HydrophobicContact CG-CD1 3.61Å; N271-L275 PolarHBondContact O-N 2.75Å; N271-L275 VanDerWaalsContact O-N 3.13Å; K272-L275 WeakPolarHBondContact O-CB 3.47Å; K272-L275 PolarHBondContact O-N 3.5Å; N273-L275 VanDerWaalsContact C-N 3.31Å; N273-L275 PolarHBondContact O-N 3.48Å; L275-L278 PolarHBondContact O-N 3.03Å; L275-Y279 WeakPolarHBondContact O-CB 3.4Å; L275-Y279 PolarHBondContact O-N 2.74Å; L275-V284 HydrophobicContact CD1-CG1 3.75Å; L275-V284 HydrophobicContact CD1-CG2 4.18Å; L275-V284 HydrophobicContact CG-CG1 4.34Å; L275-W304 HydrophobicContact CD2-CH2 3.69Å; L275-W304 HydrophobicContact CD2-CZ3 3.64Å; L275-F370 HydrophobicContact CB-CE1 4.26Å; L275-F370 HydrophobicContact CB-CE2 4.37Å; L275-F370 HydrophobicContact CB-CZ 4.05Å; L275-F370 HydrophobicContact CD1-CD2 4.1Å; L275-F370 HydrophobicContact CD1-CE2 3.93Å; L275-F370 HydrophobicContact CD1-CZ 4.46Å; L275-F370 HydrophobicContact CD2-CB 4.22Å; L275-F370 HydrophobicContact CD2-CD1 3.85Å; L275-F370 HydrophobicContact CD2-CD2 3.83Å; L275-F370 HydrophobicContact CD2-CE1 4.17Å; L275-F370 HydrophobicContact CD2-CE2 4.14Å; L275-F370 HydrophobicContact CD2-CG 3.69Å; L275-F370 HydrophobicContact CD2-CZ 4.3Å; L275-F370 HydrophobicContact CG-CD2 4.49Å; L275-F370 HydrophobicContact CG-CE2 4.39Å; L275-V372 HydrophobicContact CD1-CG2 3.84Å
276V97Very high93.7Very high22 Ų2264.8 Ų64.813%0.13331%0.31CS..Hα-helixtrans-66.9-39.2-179.2169.80000111K272 N273 L278 Y279 Q280 V305K272-V276 HydrophobicContact CG-CG2 4Å; K272-V276 WeakPolarHBondContact O-CB 3.38Å; K272-V276 VanDerWaalsContact O-CG2 3.31Å; K272-V276 WeakPolarHBondContact O-CG2 3.05Å; K272-V276 PolarHBondContact O-N 2.99Å; N273-V276 PolarHBondContact O-N 3.44Å; V276-L278 VanDerWaalsContact C-N 3.3Å; V276-L278 PolarHBondContact O-N 3.39Å; V276-Y279 WeakPolarHBondContact O-CB 3.47Å; V276-Y279 PolarHBondContact O-N 3.25Å; V276-Q280 HydrophobicContact CG1-CG 4.44Å; V276-Q280 VanDerWaalsContact O-CG 3.31Å; V276-Q280 WeakPolarHBondContact O-CG 3.34Å; V276-Q280 PolarHBondContact O-N 3.48Å; V276-V305 HydrophobicContact CG2-CB 4.18Å; V276-V305 HydrophobicContact CG2-CG1 4.35Å
277Q95.6Very high95Very high125 Ų12552.3 Ų52.358%0.58426%0.263SS*.Hα-helixtrans-57.9-44.6172.6-72.7172.5-1.300111.4N273 E274 Y279 Q280 V281N273-Q277 VanDerWaalsContact O-CG 3.32Å; N273-Q277 WeakPolarHBondContact O-CG 3.49Å; N273-Q277 PolarHBondContact O-N 3.25Å; E274-Q277 PolarHBondContact O-N 2.85Å; Q277-Y279 VanDerWaalsContact C-N 3.35Å; Q277-Q280 PolarHBondContact O-N 3.02Å; Q277-V281 PolarHBondContact O-N 3.07Å
278L95.8Very high95.3Very high52 Ų5246.9 Ų46.927%0.27224%0.242SC..Hα-helixtrans-69.3-32.4176.9-66.6170.4000112.8I262 P269 E274 L275 V276 V281 G282 E283 V284I262-L278 HydrophobicContact CD1-CD1 3.85Å; P269-L278 HydrophobicContact CB-CD1 4.11Å; P269-L278 HydrophobicContact CG-CD1 4.23Å; E274-L278 WeakPolarHBondContact O-CG 3.33Å; E274-L278 PolarHBondContact O-N 3.18Å; E274-L278 VanDerWaalsContact O-N 3.17Å; L275-L278 PolarHBondContact O-N 3.03Å; V276-L278 VanDerWaalsContact C-N 3.3Å; V276-L278 PolarHBondContact O-N 3.39Å; L278-V281 WeakPolarHBondContact O-CG2 3.49Å; L278-G282 PolarHBondContact O-N 2.66Å; L278-E283 HydrophobicContact CB-CB 4.34Å; L278-E283 HydrophobicContact CD2-CB 4.25Å; L278-E283 PolarHBondContact O-N 2.95Å; L278-V284 HydrophobicContact CB-CB 4.21Å; L278-V284 HydrophobicContact CB-CG2 3.6Å; L278-V284 HydrophobicContact CD1-CG2 4.28Å; L278-V284 PolarHBondContact O-N 3.29Å
279Y95.4Very high95.3Very high74 Ų7451.7 Ų51.729%0.2926%0.26SS..Hα-helixtrans-64.7-44.4174.4-176.1-87000111.2F260 L275 V276 Q277 V281 G282 V284 P286 V305F260-Y279 HydrophobicContact CD1-CD2 4.46Å; F260-Y279 HydrophobicContact CE1-CD2 4.17Å; F260-Y279 HydrophobicContact CE1-CE2 4.33Å; L275-Y279 WeakPolarHBondContact O-CB 3.4Å; L275-Y279 PolarHBondContact O-N 2.74Å; V276-Y279 WeakPolarHBondContact O-CB 3.47Å; V276-Y279 PolarHBondContact O-N 3.25Å; Q277-Y279 VanDerWaalsContact C-N 3.35Å; Y279-V281 VanDerWaalsContact C-N 3.26Å; Y279-V281 PolarHBondContact O-N 3.37Å; Y279-G282 PolarHBondContact O-N 3.36Å; Y279-V284 HydrophobicContact CD2-CG1 4.37Å; Y279-P286 HydrophobicContact CE2-CG 4.42Å; Y279-V305 HydrophobicContact CD1-CG1 4.31Å; Y279-V305 HydrophobicContact CD2-CG1 4.48Å; Y279-V305 HydrophobicContact CE1-CG1 4.38Å; Y279-V305 HydrophobicContact CE1-CG2 4.36Å; Y279-V305 HydrophobicContact CG-CG1 4.37Å
280Q94.8Very high94.8Very high149 Ų14953.8 Ų53.870%0.69628%0.282SS*.Hα-helixtrans-62.1-32-179.7-73.1170.4-7.500113.1V276 Q277V276-Q280 HydrophobicContact CG1-CG 4.44Å; V276-Q280 VanDerWaalsContact O-CG 3.31Å; V276-Q280 WeakPolarHBondContact O-CG 3.34Å; V276-Q280 PolarHBondContact O-N 3.48Å; Q277-Q280 PolarHBondContact O-N 3.02Å
281V94.3Very high94.4Very high108 Ų10853.5 Ų53.566%0.65528%0.281SS*.THydrogen-bonded Turntrans-935177.2-57.20000113.5Q277 L278 Y279 E283Q277-V281 PolarHBondContact O-N 3.07Å; L278-V281 WeakPolarHBondContact O-CG2 3.49Å; Y279-V281 VanDerWaalsContact C-N 3.26Å; Y279-V281 PolarHBondContact O-N 3.37Å; V281-E283 VanDerWaalsContact C-N 3.34Å; V281-E283 HydrophobicContact CG2-CB 4.36Å; V281-E283 HydrophobicContact CG2-CG 3.99Å; V281-E283 PolarHBondContact O-N 3.34Å
282G92.7Very high94.1Very high45 Ų4551.6 Ų51.646%0.46427%0.273SS..THydrogen-bonded Turntrans75.315175.700000115.5L278 Y279L278-G282 PolarHBondContact O-N 2.66Å; Y279-G282 PolarHBondContact O-N 3.36Å
283E94.8Very high93.9Very high55 Ų5555 Ų5526%0.25730%0.295SS..SBendtrans-80.5-25.8173.6-71.5-62164.300112.5I262 R263 L278 V281I262-E283 WeakPolarHBondContact CA-O 3.44Å; R263-E283 IonicContact CZ-OE1 3.27Å; R263-E283 IonicContact CZ-OE2 3.03Å; R263-E283 PolarHBondContact N-O 3.13Å; R263-E283 IonicContact NE-OE1 3.7Å; R263-E283 IonicContact NE-OE2 2.77Å; R263-E283 PolarHBondContact NE-OE2 3.23Å; R263-E283 VanDerWaalsContact NH2-CD 3.35Å; R263-E283 IonicContact NH2-OE1 3.03Å; R263-E283 PolarHBondContact NH2-OE1 3.36Å; R263-E283 IonicContact NH2-OE2 3.74Å; R263-E283 PolarHBondContact NH2-OE2 3.45Å; L278-E283 HydrophobicContact CB-CB 4.34Å; L278-E283 HydrophobicContact CD2-CB 4.25Å; L278-E283 PolarHBondContact O-N 2.95Å; V281-E283 VanDerWaalsContact C-N 3.34Å; V281-E283 HydrophobicContact CG2-CB 4.36Å; V281-E283 HydrophobicContact CG2-CG 3.99Å; V281-E283 PolarHBondContact O-N 3.34Å
284V95.9Very high93.9Very high3 Ų355.8 Ų55.82%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-116.5141.6175.9170.80000109.5F260 E261 I262 L275 L278 Y279F260-V284 HydrophobicContact CB-CG1 3.78Å; F260-V284 HydrophobicContact CD1-CG1 3.68Å; F260-V284 HydrophobicContact CG-CG1 4Å; E261-V284 WeakPolarHBondContact O-CA 3.35Å; I262-V284 HydrophobicContact CB-CG2 4.02Å; I262-V284 HydrophobicContact CD1-CG2 3.71Å; I262-V284 HydrophobicContact CG1-CG2 3.77Å; L275-V284 HydrophobicContact CD1-CG1 3.75Å; L275-V284 HydrophobicContact CD1-CG2 4.18Å; L275-V284 HydrophobicContact CG-CG1 4.34Å; L278-V284 HydrophobicContact CB-CB 4.21Å; L278-V284 HydrophobicContact CB-CG2 3.6Å; L278-V284 HydrophobicContact CD1-CG2 4.28Å; L278-V284 PolarHBondContact O-N 3.29Å; Y279-V284 HydrophobicContact CD2-CG1 4.37Å
285R96Very high93.8Very high48 Ų4854.2 Ų54.218%0.18130%0.296CS..EExtended strand (participates in β ladder)trans-142.8165.6172.767.6-172.8-166.9-175.83.4110.7F260 E261 Y289 F376F260-R285 CarbonylContact C-O 3.51Å; F260-R285 WeakPolarHBondContact CA-O 3.23Å; F260-R285 WeakPolarHBondContact CB-O 3.35Å; E261-R285 HydrophobicContact CG-CG 3.58Å; E261-R285 PolarHBondContact N-O 3.07Å; E261-R285 PolarHBondContact O-N 2.85Å; E261-R285 IonicContact OE1-CZ 3.07Å; E261-R285 IonicContact OE1-NE 3.61Å; E261-R285 PolarHBondContact OE1-NE 2.87Å; E261-R285 IonicContact OE1-NH2 2.7Å; E261-R285 PolarHBondContact OE1-NH2 3.04Å; E261-R285 IonicContact OE2-NH2 3.59Å; R285-Y289 HydrophobicContact CB-CG 4.48Å; R285-Y289 HydrophobicContact CG-CG 4.36Å; R285-F376 HydrophobicContact CG-CD1 4.45Å; R285-F376 HydrophobicContact CG-CE1 3.92Å; R285-F376 HydrophobicContact CG-CZ 4.09Å
286P97.1Very high93.8Very high17 Ų1754.4 Ų54.411%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-53.6146.8175.4-27.638.8000111.6Y279 Y289 Y301Y279-P286 HydrophobicContact CE2-CG 4.42Å; P286-Y289 HydrophobicContact CG-CD2 4.43Å; P286-Y289 VanDerWaalsContact O-CB 3.23Å; P286-Y289 WeakPolarHBondContact O-CB 3.26Å; P286-Y289 PolarHBondContact O-N 3.24Å; P286-Y301 HydrophobicContact CB-CD1 4.06Å; P286-Y301 HydrophobicContact CB-CD2 3.82Å; P286-Y301 HydrophobicContact CB-CE1 3.95Å; P286-Y301 HydrophobicContact CB-CE2 3.72Å; P286-Y301 HydrophobicContact CB-CG 3.98Å; P286-Y301 HydrophobicContact CG-CD1 4.04Å; P286-Y301 HydrophobicContact CG-CD2 3.92Å; P286-Y301 HydrophobicContact CG-CE1 4.43Å; P286-Y301 HydrophobicContact CG-CE2 4.35Å; P286-Y301 HydrophobicContact CG-CG 3.74Å
287F95.5Very high93.7Very high2 Ų256.1 Ų56.11%0.00931%0.313CS..THydrogen-bonded Turntrans-57.3145.4176-170.3-115.9000110.7M230 A259 Y289 Q296 F328 H373 K377M230-F287 HydrophobicContact CE-CD2 4.2Å; M230-F287 HydrophobicContact CE-CE2 4.17Å; M230-F287 HydrophobicContact SD-CD2 4.36Å; M230-F287 HydrophobicContact SD-CE2 3.77Å; M230-F287 HydrophobicContact SD-CZ 4.1Å; A259-F287 HydrophobicContact CB-CB 3.77Å; A259-F287 HydrophobicContact CB-CG 4.22Å; A259-F287 WeakPolarHBondContact O-CB 3.33Å; A259-F287 PolarHBondContact O-N 3.01Å; F287-Y289 PolarHBondContact O-N 3.16Å; F287-Q296 HydrophobicContact CB-CG 4.42Å; F287-Q296 VanDerWaalsContact O-CG 3.23Å; F287-Q296 WeakPolarHBondContact O-CG 3.5Å; F287-F328 AromaticContact CD1-CE2 3.86Å; F287-F328 HydrophobicContact CD1-CE2 3.86Å; F287-F328 HydrophobicContact CD1-CZ 4.44Å; F287-F328 AromaticContact CE1-CE2 3.84Å; F287-F328 HydrophobicContact CE1-CE2 3.84Å; F287-F328 AromaticContact CE1-CZ 3.98Å; F287-F328 HydrophobicContact CE1-CZ 3.98Å; F287-F328 HydrophobicContact CZ-CZ 4.36Å; F287-H373 HydrophobicContact CD2-CB 4.03Å; F287-H373 HydrophobicContact CE2-CB 3.74Å; F287-K377 HydrophobicContact CE2-CG 4.26Å
288Y91.8Very high93.8Very high27 Ų2750.9 Ų50.911%0.10629%0.29CS..THydrogen-bonded Turntrans54.121.4-177-69.9-4000115.4G290 L291 C292 E326 K377Y288-G290 PolarHBondContact O-N 3.05Å; Y288-L291 HydrophobicContact CD1-CD1 4.03Å; Y288-L291 HydrophobicContact CE1-CD1 4.29Å; Y288-L291 PolarHBondContact O-N 2.85Å; Y288-C292 CarbonylContact O-C 3.58Å; Y288-C292 PolarHBondContact O-N 3.09Å; Y288-E326 WeakPolarHBondContact CE2-OE2 3.46Å; Y288-K377 HydrophobicContact CD1-CB 4.29Å; Y288-K377 HydrophobicContact CD1-CG 4.27Å; Y288-K377 HydrophobicContact CE1-CB 4.45Å; Y288-K377 HydrophobicContact CE1-CG 4.12Å
289Y90.8Very high93.9Very high128 Ų12848.4 Ų48.450%0.50228%0.278SS..THydrogen-bonded Turntrans-53.8-43178.7-179.4-90.9000112.3R285 P286 F287 T293R285-Y289 HydrophobicContact CB-CG 4.48Å; R285-Y289 HydrophobicContact CG-CG 4.36Å; P286-Y289 HydrophobicContact CG-CD2 4.43Å; P286-Y289 VanDerWaalsContact O-CB 3.23Å; P286-Y289 WeakPolarHBondContact O-CB 3.26Å; P286-Y289 PolarHBondContact O-N 3.24Å; F287-Y289 PolarHBondContact O-N 3.16Å; Y289-T293 PolarHBondContact O-OG1 3.19Å
290G86.8Confident94Very high46 Ų4648.4 Ų48.447%0.47428%0.282SS..THydrogen-bonded Turntrans-84.61.8178.300000115.7Y288Y288-G290 PolarHBondContact O-N 3.05Å
291L86.5Confident94.2Very high43 Ų4342 Ų4223%0.22525%0.252CS..THydrogen-bonded Turntrans-124.2-47.6-174-67.2-178.2000113.6Y288 K377 A379 F382Y288-L291 HydrophobicContact CD1-CD1 4.03Å; Y288-L291 HydrophobicContact CE1-CD1 4.29Å; Y288-L291 PolarHBondContact O-N 2.85Å; L291-K377 HydrophobicContact CD1-CB 3.56Å; L291-K377 HydrophobicContact CG-CB 4.39Å; L291-A379 HydrophobicContact CD2-CB 4.08Å; L291-F382 HydrophobicContact CD1-CE2 3.81Å; L291-F382 HydrophobicContact CD1-CZ 3.59Å; L291-F382 HydrophobicContact CD2-CE2 3.78Å; L291-F382 HydrophobicContact CD2-CZ 4.4Å; L291-F382 HydrophobicContact CG-CE2 4.49Å
292C90.1Very high94.3Very high32 Ų3240.6 Ų40.622%0.21625%0.247CC..  trans-154.180.8-179.8-174.30000110.1Y288 P294 C295Y288-C292 CarbonylContact O-C 3.58Å; Y288-C292 PolarHBondContact O-N 3.09Å; C292-P294 VanDerWaalsContact C-CD 3.45Å; C292-P294 VanDerWaalsContact C-N 3.32Å; C292-C295 HydrophobicContact CB-CB 3.68Å; C292-C295 WeakPolarHBondContact CB-SG 3.44Å; C292-C295 WeakPolarHBondContact O-CB 3.31Å; C292-C295 PolarHBondContact O-N 2.61Å; C292-C295 WeakPolarHBondContact SG-CB 3.46Å; C292-C295 PolarHBondContact SG-N 3.45Å; C292-C295 CovalentContact SG-SG 2.03Å; C292-C295 PolarHBondContact SG-SG 2.82Å
293T92.2Very high94.5Very high78 Ų7844.3 Ų44.348%0.47925%0.247SC..G310 helixtrans-53.9-42.6174.5-40.90000112.8Y289 C295 Q296 A297Y289-T293 PolarHBondContact O-OG1 3.19Å; T293-C295 PolarHBondContact O-N 3.22Å; T293-Q296 PolarHBondContact O-N 3.38Å; T293-A297 WeakPolarHBondContact O-CB 3.32Å; T293-A297 PolarHBondContact O-N 2.83Å
294P95.2Very high94.7Very high77 Ų7741.7 Ų41.750%0.524%0.235SC..G310 helixtrans-61.4-29176.6-24.436000114C292 Q296 P324C292-P294 VanDerWaalsContact C-CD 3.45Å; C292-P294 VanDerWaalsContact C-N 3.32Å; P294-Q296 PolarHBondContact O-N 3.16Å; P294-P324 HydrophobicContact CB-CG 4.34Å
295C95.4Very high94.8Very high7 Ų742.5 Ų42.55%0.04724%0.24CC..G310 helixtrans-68.3-17.3-177.4-62.10000113.1C292 T293 P324 E326C292-C295 HydrophobicContact CB-CB 3.68Å; C292-C295 WeakPolarHBondContact CB-SG 3.44Å; C292-C295 WeakPolarHBondContact O-CB 3.31Å; C292-C295 PolarHBondContact O-N 2.61Å; C292-C295 WeakPolarHBondContact SG-CB 3.46Å; C292-C295 PolarHBondContact SG-N 3.45Å; C292-C295 CovalentContact SG-SG 2.03Å; C292-C295 PolarHBondContact SG-SG 2.82Å; T293-C295 PolarHBondContact O-N 3.22Å; C295-P324 WeakPolarHBondContact CA-O 3.39Å; C295-E326 HydrophobicContact CB-CB 4.17Å; C295-E326 PolarHBondContact O-N 3.46Å
296Q95.8Very high94.8Very high5 Ų546.2 Ų46.22%0.02326%0.263CS..THydrogen-bonded Turntrans-122.1-13.1177.8-62.7-61.4-32.900113.1F287 T293 P294 P298 T299 Y301 E326F287-Q296 HydrophobicContact CB-CG 4.42Å; F287-Q296 VanDerWaalsContact O-CG 3.23Å; F287-Q296 WeakPolarHBondContact O-CG 3.5Å; T293-Q296 PolarHBondContact O-N 3.38Å; P294-Q296 PolarHBondContact O-N 3.16Å; Q296-P298 VanDerWaalsContact C-CD 3.41Å; Q296-T299 WeakPolarHBondContact O-CB 3.29Å; Q296-T299 PolarHBondContact O-N 2.95Å; Q296-T299 VanDerWaalsContact O-N 3.13Å; Q296-T299 PolarHBondContact O-OG1 2.95Å; Q296-Y301 HydrophobicContact CB-CE2 3.86Å; Q296-Y301 WeakPolarHBondContact O-CE2 3.06Å; Q296-Y301 PolarHBondContact OE1-OH 3.42Å; Q296-E326 PolarHBondContact NE2-O 3.21Å
297A96.1Very high94.8Very high57 Ų5747.5 Ų47.547%0.47127%0.269SS..G310 helixtrans-51.4-40-175.100000115.4T293 T299 N300T293-A297 WeakPolarHBondContact O-CB 3.32Å; T293-A297 PolarHBondContact O-N 2.83Å; A297-T299 PolarHBondContact O-N 2.88Å; A297-T299 VanDerWaalsContact O-N 3.13Å; A297-N300 PolarHBondContact O-N 2.8Å
298P97.7Very high94.8Very high15 Ų1550.8 Ų50.810%0.09730%0.296CS..G310 helixtrans-58.7-28.3-179-2939.3000114.2Q296 N300 V319 Q322 W325Q296-P298 VanDerWaalsContact C-CD 3.41Å; P298-N300 PolarHBondContact O-N 3.27Å; P298-V319 HydrophobicContact CB-CG1 3.86Å; P298-V319 WeakPolarHBondContact O-CG1 3.32Å; P298-Q322 HydrophobicContact CG-CB 4.01Å; P298-W325 HydrophobicContact CB-CD2 3.79Å; P298-W325 HydrophobicContact CB-CE3 4.3Å; P298-W325 HydrophobicContact CB-CG 3.9Å; P298-W325 HydrophobicContact CB-CZ2 4.32Å; P298-W325 HydrophobicContact CG-CB 3.97Å; P298-W325 HydrophobicContact CG-CD2 4.18Å; P298-W325 HydrophobicContact CG-CG 3.76Å
299T97.8Very high94.7Very high1 Ų155.8 Ų55.81%0.00632%0.321CS..G310 helixtrans-56.1-21.2175-52.50000112.9V256 P258 Q296 A297 Y301 Y317 W325 V365V256-T299 HydrophobicContact CG1-CG2 4.42Å; P258-T299 HydrophobicContact CB-CG2 4.1Å; P258-T299 HydrophobicContact CG-CG2 3.98Å; Q296-T299 WeakPolarHBondContact O-CB 3.29Å; Q296-T299 PolarHBondContact O-N 2.95Å; Q296-T299 VanDerWaalsContact O-N 3.13Å; Q296-T299 PolarHBondContact O-OG1 2.95Å; A297-T299 PolarHBondContact O-N 2.88Å; A297-T299 VanDerWaalsContact O-N 3.13Å; T299-Y301 HydrophobicContact CG2-CE1 4.37Å; T299-Y301 HydrophobicContact CG2-CE2 4.1Å; T299-Y317 PolarHBondContact O-OH 3.32Å; T299-W325 PolarHBondContact OG1-NE1 3.34Å; T299-W325 VanDerWaalsContact OG1-NE1 3.16Å; T299-V365 HydrophobicContact CG2-CG1 4.49Å
300N97.6Very high94.7Very high73 Ų7352.9 Ų52.939%0.3931%0.312SS..  trans53.762.6178.5-164.3-15.5000113.3A297 P298 S302 R303 W304 Y317A297-N300 PolarHBondContact O-N 2.8Å; P298-N300 PolarHBondContact O-N 3.27Å; N300-S302 PolarHBondContact O-N 2.8Å; N300-R303 HydrophobicContact CB-CB 4.24Å; N300-R303 WeakPolarHBondContact O-CB 3.39Å; N300-R303 PolarHBondContact O-N 2.92Å; N300-R303 WeakPolarHBondContact OD1-CB 3.06Å; N300-R303 PolarHBondContact OD1-N 2.91Å; N300-R303 VanDerWaalsContact OD1-N 3.1Å; N300-W304 PolarHBondContact O-N 3.18Å; N300-W304 VanDerWaalsContact O-N 3.08Å; N300-Y317 HydrophobicContact CB-CE2 4.42Å; N300-Y317 PolarHBondContact O-OH 3.2Å
301Y97.6Very high94.7Very high15 Ų1556.5 Ų56.56%0.05933%0.329CS..Hα-helixtrans-53.9-36.2179.4-68.1-89.9000113.7P258 A259 F260 P286 Q296 T299 R303 W304 V305P258-Y301 HydrophobicContact CB-CE1 4.26Å; A259-Y301 WeakPolarHBondContact O-CE1 3.38Å; A259-Y301 PolarHBondContact O-OH 3.01Å; F260-Y301 HydrophobicContact CD1-CD1 4.25Å; F260-Y301 HydrophobicContact CD1-CE1 4.23Å; F260-Y301 AromaticContact CE1-CD1 3.48Å; F260-Y301 HydrophobicContact CE1-CD1 3.48Å; F260-Y301 VanDerWaalsContact CE1-CD1 3.48Å; F260-Y301 AromaticContact CE1-CE1 3.84Å; F260-Y301 HydrophobicContact CE1-CE1 3.84Å; F260-Y301 HydrophobicContact CE2-CD1 4.32Å; F260-Y301 HydrophobicContact CE2-CE1 4.14Å; F260-Y301 AromaticContact CZ-CD1 3.52Å; F260-Y301 HydrophobicContact CZ-CD1 3.52Å; F260-Y301 AromaticContact CZ-CE1 3.79Å; F260-Y301 HydrophobicContact CZ-CE1 3.79Å; P286-Y301 HydrophobicContact CB-CD1 4.06Å; P286-Y301 HydrophobicContact CB-CD2 3.82Å; P286-Y301 HydrophobicContact CB-CE1 3.95Å; P286-Y301 HydrophobicContact CB-CE2 3.72Å; P286-Y301 HydrophobicContact CB-CG 3.98Å; P286-Y301 HydrophobicContact CG-CD1 4.04Å; P286-Y301 HydrophobicContact CG-CD2 3.92Å; P286-Y301 HydrophobicContact CG-CE1 4.43Å; P286-Y301 HydrophobicContact CG-CE2 4.35Å; P286-Y301 HydrophobicContact CG-CG 3.74Å; Q296-Y301 HydrophobicContact CB-CE2 3.86Å; Q296-Y301 WeakPolarHBondContact O-CE2 3.06Å; Q296-Y301 PolarHBondContact OE1-OH 3.42Å; T299-Y301 HydrophobicContact CG2-CE1 4.37Å; T299-Y301 HydrophobicContact CG2-CE2 4.1Å; Y301-R303 VanDerWaalsContact C-N 3.32Å; Y301-R303 PolarHBondContact O-N 2.91Å; Y301-W304 PolarHBondContact O-N 3.23Å; Y301-V305 WeakPolarHBondContact O-CG1 3.45Å; Y301-V305 WeakPolarHBondContact O-CG2 3.28Å; Y301-V305 PolarHBondContact O-N 3.49Å
302S96.5Very high95Very high78 Ų7859.6 Ų59.655%0.54535%0.346SS..Hα-helixtrans-62-39.7176.4-170.90000111.8N300 N306N300-S302 PolarHBondContact O-N 2.8Å; S302-N306 PolarHBondContact O-ND2 2.82Å
303R98Very high95.3Very high123 Ų12359.3 Ų59.346%0.46434%0.342SS..Hα-helixtrans-66.8-44.8173.1-176.9178.9-177.6174.71.9110.8N300 Y301 N306 L307 Y317N300-R303 HydrophobicContact CB-CB 4.24Å; N300-R303 WeakPolarHBondContact O-CB 3.39Å; N300-R303 PolarHBondContact O-N 2.92Å; N300-R303 WeakPolarHBondContact OD1-CB 3.06Å; N300-R303 PolarHBondContact OD1-N 2.91Å; N300-R303 VanDerWaalsContact OD1-N 3.1Å; Y301-R303 VanDerWaalsContact C-N 3.32Å; Y301-R303 PolarHBondContact O-N 2.91Å; R303-N306 PolarHBondContact O-N 2.93Å; R303-L307 PolarHBondContact O-N 2.96Å; R303-Y317 HydrophobicContact CB-CE1 4.45Å; R303-Y317 HydrophobicContact CG-CD1 4.22Å; R303-Y317 HydrophobicContact CG-CE1 3.88Å; R303-Y317 VanDerWaalsContact CZ-CG 3.46Å
304W98.3Very high95.5Very high0 Ų060.3 Ų60.30%034%0.337CS..Hα-helixtrans-61.8-47.2-175.8-169.582.1000113.7P258 F260 K272 L275 N300 Y301 N306 L307 Y317 L366 N367 F370P258-W304 HydrophobicContact CB-CD2 4.38Å; P258-W304 HydrophobicContact CG-CD2 4.17Å; P258-W304 HydrophobicContact CG-CG 4.07Å; P258-W304 HydrophobicContact CG-CZ2 4.48Å; F260-W304 HydrophobicContact CE2-CE3 4.17Å; F260-W304 HydrophobicContact CE2-CH2 4.11Å; F260-W304 AromaticContact CE2-CZ3 3.77Å; F260-W304 HydrophobicContact CE2-CZ3 3.77Å; F260-W304 AromaticContact CZ-CE3 3.67Å; F260-W304 HydrophobicContact CZ-CE3 3.67Å; F260-W304 HydrophobicContact CZ-CH2 4.35Å; F260-W304 AromaticContact CZ-CZ3 3.55Å; F260-W304 HydrophobicContact CZ-CZ3 3.55Å; K272-W304 HydrophobicContact CB-CH2 4.26Å; K272-W304 HydrophobicContact CD-CH2 4.03Å; K272-W304 HydrophobicContact CD-CZ2 4.11Å; K272-W304 HydrophobicContact CD-CZ3 4.45Å; K272-W304 HydrophobicContact CG-CH2 3.65Å; K272-W304 HydrophobicContact CG-CZ2 4.22Å; K272-W304 HydrophobicContact CG-CZ3 3.99Å; L275-W304 HydrophobicContact CD2-CH2 3.69Å; L275-W304 HydrophobicContact CD2-CZ3 3.64Å; N300-W304 PolarHBondContact O-N 3.18Å; N300-W304 VanDerWaalsContact O-N 3.08Å; Y301-W304 PolarHBondContact O-N 3.23Å; W304-N306 PolarHBondContact O-N 3.03Å; W304-L307 HydrophobicContact CG-CD1 4.47Å; W304-L307 WeakPolarHBondContact O-CB 3.4Å; W304-L307 WeakPolarHBondContact O-CG 3.48Å; W304-L307 PolarHBondContact O-N 3.48Å; W304-Y317 WeakPolarHBondContact CB-OH 3.43Å; W304-L366 VanDerWaalsContact CD1-O 3.24Å; W304-L366 PolarHBondContact NE1-O 3.12Å; W304-N367 PolarHBondContact NE1-O 3.14Å; W304-F370 HydrophobicContact CH2-CB 4.04Å; W304-F370 AromaticContact CH2-CD1 3.98Å; W304-F370 HydrophobicContact CH2-CD1 3.98Å; W304-F370 HydrophobicContact CH2-CG 4.32Å; W304-F370 HydrophobicContact CZ2-CB 4.23Å; W304-F370 HydrophobicContact CZ2-CD1 4.46Å
305V97.5Very high95.5Very high21 Ų2157.7 Ų57.713%0.12732%0.32CS..Hα-helixtrans-68.2-17.7-179.3-60.20000113.4V276 Y279 Y301V276-V305 HydrophobicContact CG2-CB 4.18Å; V276-V305 HydrophobicContact CG2-CG1 4.35Å; Y279-V305 HydrophobicContact CD1-CG1 4.31Å; Y279-V305 HydrophobicContact CD2-CG1 4.48Å; Y279-V305 HydrophobicContact CE1-CG1 4.38Å; Y279-V305 HydrophobicContact CE1-CG2 4.36Å; Y279-V305 HydrophobicContact CG-CG1 4.37Å; Y301-V305 WeakPolarHBondContact O-CG1 3.45Å; Y301-V305 WeakPolarHBondContact O-CG2 3.28Å; Y301-V305 PolarHBondContact O-N 3.49Å
306N97.2Very high95.6Very high125 Ų12558.5 Ų58.567%0.66833%0.327SS*.THydrogen-bonded Turntrans-1013.9178.2-71.8-69.6000113.1S302 R303 W304S302-N306 PolarHBondContact O-ND2 2.82Å; R303-N306 PolarHBondContact O-N 2.93Å; W304-N306 PolarHBondContact O-N 3.03Å
307L97.3Very high95.7Very high45 Ų4558.8 Ų58.824%0.23633%0.328CS..SBendtrans-63.3143.2170-69.4174.8000109.6R303 W304 A316 Y317 N367R303-L307 PolarHBondContact O-N 2.96Å; W304-L307 HydrophobicContact CG-CD1 4.47Å; W304-L307 WeakPolarHBondContact O-CB 3.4Å; W304-L307 WeakPolarHBondContact O-CG 3.48Å; W304-L307 PolarHBondContact O-N 3.48Å; L307-A316 HydrophobicContact CD1-CB 3.57Å; L307-A316 HydrophobicContact CD2-CB 4.36Å; L307-Y317 HydrophobicContact CD1-CE1 4.14Å; L307-N367 HydrophobicContact CD1-CB 4.21Å
308A94.6Very high95.8Very high71 Ų7160.4 Ų60.459%0.58733%0.332SS*.PPolyproline II helixtrans-57.2146.2169.800000110.2
309E89.8Confident95.7Very high132 Ų13260 Ų6062%0.61733%0.33SS*.PPolyproline II helixtrans-68.6131.5173.5-179.5179.5-178.600109.6N273N273-E309 PolarHBondContact ND2-OE1 3.04Å; N273-E309 PolarHBondContact ND2-OE2 2.97Å; N273-E309 PolarHBondContact OD1-OE2 2.81Å
310E91.3Very high95.6Very high67 Ų6764.4 Ų64.431%0.31336%0.358SS..  trans-134.9148.3175.7-69178.5-13700110R314 E368E310-R314 VanDerWaalsContact CD-NH2 3.26Å; E310-R314 IonicContact OE1-CZ 3.95Å; E310-R314 IonicContact OE1-NE 3.03Å; E310-R314 IonicContact OE1-NH2 3.3Å; E310-R314 PolarHBondContact OE1-NH2 3.29Å; E310-R314 IonicContact OE2-CZ 2.65Å; E310-R314 VanDerWaalsContact OE2-CZ 3.3Å; E310-R314 IonicContact OE2-NE 3.2Å; E310-R314 PolarHBondContact OE2-NE 3.04Å; E310-R314 IonicContact OE2-NH2 3.58Å; E310-R314 PolarHBondContact OE2-NH2 3.22Å; E310-R314 VanDerWaalsContact OE2-NH2 3.09Å; E310-E368 PolarHBondContact N-OE1 3.37Å; E310-E368 VanDerWaalsContact O-CG 3.32Å; E310-E368 WeakPolarHBondContact O-CG 3.37Å
311S86.9Confident95.6Very high121 Ų12162.4 Ų62.485%0.84635%0.345SS*.SBendtrans-80-28.1178.353.10000113
312L92.9Very high95.6Very high109 Ų10966.8 Ų66.857%0.57137%0.366SS*.SBendtrans-94.4132-175.5-63.5176.7000110.9R314 N367L312-R314 PolarHBondContact O-N 3.36Å; L312-N367 PolarHBondContact O-ND2 3.14Å
313L96.1Very high95.5Very high25 Ų2566.8 Ų66.813%0.13136%0.36CS..  trans-72.2127171.8-170.772.6000109.6L236 G239 L240 L366 E368L236-L313 HydrophobicContact CD1-CD1 4.45Å; L236-L313 HydrophobicContact CD1-CD2 3.97Å; G239-L313 VanDerWaalsContact C-CD2 3.47Å; L240-L313 HydrophobicContact CB-CD2 4.4Å; L240-L313 HydrophobicContact CD2-CD2 3.78Å; L240-L313 HydrophobicContact CG-CD2 3.73Å; L313-L366 HydrophobicContact CD1-CB 4.17Å; L313-L366 HydrophobicContact CD1-CD1 4.31Å; L313-L366 HydrophobicContact CD2-CD1 4.32Å; L313-L366 HydrophobicContact CG-CD2 4.39Å; L313-E368 HydrophobicContact CD1-CB 4.19Å
314R95.4Very high95.4Very high99 Ų9962.3 Ų62.337%0.37435%0.347SS..  trans-155.7164176.161.3176.2-173.384.2-3.6111.6E310 L312 A316 L366 N367E310-R314 VanDerWaalsContact CD-NH2 3.26Å; E310-R314 IonicContact OE1-CZ 3.95Å; E310-R314 IonicContact OE1-NE 3.03Å; E310-R314 IonicContact OE1-NH2 3.3Å; E310-R314 PolarHBondContact OE1-NH2 3.29Å; E310-R314 IonicContact OE2-CZ 2.65Å; E310-R314 VanDerWaalsContact OE2-CZ 3.3Å; E310-R314 IonicContact OE2-NE 3.2Å; E310-R314 PolarHBondContact OE2-NE 3.04Å; E310-R314 IonicContact OE2-NH2 3.58Å; E310-R314 PolarHBondContact OE2-NH2 3.22Å; E310-R314 VanDerWaalsContact OE2-NH2 3.09Å; L312-R314 PolarHBondContact O-N 3.36Å; R314-A316 PolarHBondContact O-N 3.16Å; R314-L366 WeakPolarHBondContact O-CA 3.43Å; R314-N367 PolarHBondContact N-OD1 2.81Å; R314-N367 PolarHBondContact O-N 3.41Å; R314-N367 PolarHBondContact O-OD1 3.42Å
315P95.9Very high95.3Very high22 Ų2262.3 Ų62.314%0.14335%0.347CS..EExtended strand (participates in β ladder)trans-63.7134.9166.5-14.929.5000110.8M243 W250 L255 E364M243-P315 HydrophobicContact SD-CG 4.41Å; W250-P315 HydrophobicContact CH2-CG 3.48Å; W250-P315 VanDerWaalsContact CH2-CG 3.48Å; W250-P315 HydrophobicContact CZ3-CG 3.59Å; L255-P315 HydrophobicContact CD2-CG 3.92Å; P315-E364 HydrophobicContact CB-CB 3.9Å; P315-E364 WeakPolarHBondContact CB-OE2 3.15Å; P315-E364 WeakPolarHBondContact CG-OE2 2.99Å
316A97.2Very high95.2Very high25 Ų2562.2 Ų62.221%0.20735%0.345CS..EExtended strand (participates in β ladder)trans-98.4-41-179.600000112L307 R314 V365 N367L307-A316 HydrophobicContact CD1-CB 3.57Å; L307-A316 HydrophobicContact CD2-CB 4.36Å; R314-A316 PolarHBondContact O-N 3.16Å; A316-V365 WeakPolarHBondContact CB-O 3.45Å; A316-V365 PolarHBondContact N-O 3.18Å; A316-N367 HydrophobicContact CB-CB 3.94Å
317Y97.9Very high95.2Very high11 Ų1156.3 Ų56.34%0.04331%0.313CS..EExtended strand (participates in β ladder)trans-163.8149.6-179.852.6-89.2000113.1T299 N300 R303 W304 L307 V319 E364 V365T299-Y317 PolarHBondContact O-OH 3.32Å; N300-Y317 HydrophobicContact CB-CE2 4.42Å; N300-Y317 PolarHBondContact O-OH 3.2Å; R303-Y317 HydrophobicContact CB-CE1 4.45Å; R303-Y317 HydrophobicContact CG-CD1 4.22Å; R303-Y317 HydrophobicContact CG-CE1 3.88Å; R303-Y317 VanDerWaalsContact CZ-CG 3.46Å; W304-Y317 WeakPolarHBondContact CB-OH 3.43Å; L307-Y317 HydrophobicContact CD1-CE1 4.14Å; Y317-V319 HydrophobicContact CD2-CG2 3.65Å; Y317-V319 HydrophobicContact CE2-CG2 3.58Å; Y317-E364 WeakPolarHBondContact O-CA 3.42Å; Y317-V365 HydrophobicContact CD2-CB 4.19Å; Y317-V365 HydrophobicContact CD2-CG2 4.18Å; Y317-V365 HydrophobicContact CE1-CB 4.21Å; Y317-V365 HydrophobicContact CE1-CG1 4.31Å; Y317-V365 HydrophobicContact CE2-CB 3.74Å; Y317-V365 HydrophobicContact CE2-CG1 4.31Å; Y317-V365 HydrophobicContact CE2-CG2 3.6Å; Y317-V365 PolarHBondContact O-N 2.77Å
318V97.4Very high95.2Very high90 Ų9054.3 Ų54.355%0.54530%0.303SS..EExtended strand (participates in β ladder)trans-76.9140.6171.5-173.80000109.9F363 E364V318-F363 CarbonylContact C-O 3.57Å; V318-F363 WeakPolarHBondContact CA-O 3.33Å; V318-E364 HydrophobicContact CG2-CG 4.02Å
319V96.7Very high95.4Very high8 Ų851.5 Ų51.55%0.04828%0.277CS..EExtended strand (participates in β ladder)trans-120.3128.8174.9172.70000109.7P298 Y317 W321 W325 F363 V365P298-V319 HydrophobicContact CB-CG1 3.86Å; P298-V319 WeakPolarHBondContact O-CG1 3.32Å; Y317-V319 HydrophobicContact CD2-CG2 3.65Å; Y317-V319 HydrophobicContact CE2-CG2 3.58Å; V319-W321 PolarHBondContact O-N 3.11Å; V319-W325 HydrophobicContact CB-CH2 4.03Å; V319-W325 HydrophobicContact CG1-CH2 3.77Å; V319-W325 HydrophobicContact CG1-CZ2 4.21Å; V319-W325 HydrophobicContact CG1-CZ3 4.16Å; V319-F363 PolarHBondContact N-O 3.13Å; V319-V365 HydrophobicContact CG2-CG2 3.55Å
320P96.3Very high95.8Very high92 Ų9245.2 Ų45.260%0.59725%0.248SC*.  trans-69.5131.6170.629.1-32.7000110.1
321W97Very high96Very high31 Ų3142.3 Ų42.312%0.11724%0.235CC..  trans-60139.7173.917889.6000111.3V319 D323 W325 A353 C354 H357 F363 R414 C415V319-W321 PolarHBondContact O-N 3.11Å; W321-D323 HydrophobicContact CH2-CB 3.76Å; W321-D323 HydrophobicContact CZ2-CB 4.13Å; W321-W325 AromaticContact CD1-CE3 3.94Å; W321-A353 PolarHBondContact NE1-O 3.14Å; W321-C354 HydrophobicContact CZ2-CB 3.79Å; W321-H357 HydrophobicContact CB-CB 3.96Å; W321-H357 HydrophobicContact CD2-CB 3.89Å; W321-H357 AromaticContact CD2-CD2 3.8Å; W321-H357 AromaticContact CD2-CG 3.77Å; W321-H357 HydrophobicContact CE3-CB 4.46Å; W321-H357 AromaticContact CE3-CD2 3.46Å; W321-H357 VanDerWaalsContact CE3-CD2 3.46Å; W321-H357 AromaticContact CE3-CG 3.91Å; W321-H357 AromaticContact CE3-NE2 3.88Å; W321-H357 HydrophobicContact CG-CB 3.61Å; W321-H357 AromaticContact CG-CG 3.67Å; W321-F363 HydrophobicContact CB-CD2 4.17Å; W321-F363 HydrophobicContact CB-CE2 3.86Å; W321-F363 AromaticContact CD1-CE2 3.98Å; W321-F363 AromaticContact CD1-CZ 3.97Å; W321-F363 HydrophobicContact CG-CE2 4.25Å; W321-R414 WeakPolarHBondContact CZ3-O 3.35Å; W321-C415 HydrophobicContact CH2-CB 3.61Å; W321-C415 HydrophobicContact CZ2-CB 4.24Å; W321-C415 HydrophobicContact CZ3-CB 4.31Å
322Q96.9Very high96.2Very high108 Ų10836.6 Ų36.651%0.50520%0.196SC..  trans-143138.5176.3-67.2175.655.600109.9P298 W325P298-Q322 HydrophobicContact CG-CB 4.01Å; Q322-W325 WeakPolarHBondContact O-CB 3.05Å; Q322-W325 PolarHBondContact O-N 3.19Å
323D94.7Very high95.8Very high77 Ų7734.4 Ų34.441%0.41220%0.199SC..THydrogen-bonded Turntrans-72.3138.1172.2-16976.6000110.2W321 Y397W321-D323 HydrophobicContact CH2-CB 3.76Å; W321-D323 HydrophobicContact CZ2-CB 4.13Å; D323-Y397 WeakPolarHBondContact OD1-CE1 3.46Å; D323-Y397 PolarHBondContact OD1-OH 3.16Å
324P95.4Very high95.4Very high30 Ų3042.5 Ų42.520%0.19523%0.233CC..THydrogen-bonded Turncis-104.662.41.239.5-32.9000112.8P294 C295 I350P294-P324 HydrophobicContact CB-CG 4.34Å; C295-P324 WeakPolarHBondContact CA-O 3.39Å; P324-I350 HydrophobicContact CB-CD1 4.04Å; P324-I350 HydrophobicContact CB-CG1 4.42Å; P324-I350 HydrophobicContact CB-CG2 3.95Å
325W96.9Very high95.4Very high0 Ų038.7 Ų38.70%022%0.221CC..  trans-62.8137.8-175.9-16729.5000113.4V256 P298 T299 V319 W321 Q322 P327 A353 F363V256-W325 HydrophobicContact CG1-CZ2 4.11Å; V256-W325 HydrophobicContact CG2-CH2 3.77Å; V256-W325 HydrophobicContact CG2-CZ2 3.98Å; P298-W325 HydrophobicContact CB-CD2 3.79Å; P298-W325 HydrophobicContact CB-CE3 4.3Å; P298-W325 HydrophobicContact CB-CG 3.9Å; P298-W325 HydrophobicContact CB-CZ2 4.32Å; P298-W325 HydrophobicContact CG-CB 3.97Å; P298-W325 HydrophobicContact CG-CD2 4.18Å; P298-W325 HydrophobicContact CG-CG 3.76Å; T299-W325 PolarHBondContact OG1-NE1 3.34Å; T299-W325 VanDerWaalsContact OG1-NE1 3.16Å; V319-W325 HydrophobicContact CB-CH2 4.03Å; V319-W325 HydrophobicContact CG1-CH2 3.77Å; V319-W325 HydrophobicContact CG1-CZ2 4.21Å; V319-W325 HydrophobicContact CG1-CZ3 4.16Å; W321-W325 AromaticContact CD1-CE3 3.94Å; Q322-W325 WeakPolarHBondContact O-CB 3.05Å; Q322-W325 PolarHBondContact O-N 3.19Å; W325-P327 VanDerWaalsContact C-CD 3.47Å; W325-P327 HydrophobicContact CD2-CB 4.2Å; W325-P327 HydrophobicContact CD2-CG 3.87Å; W325-P327 HydrophobicContact CE3-CG 4.16Å; W325-P327 HydrophobicContact CG-CG 4.33Å; W325-P327 HydrophobicContact CH2-CB 4.48Å; W325-P327 HydrophobicContact CZ2-CB 3.85Å; W325-P327 HydrophobicContact CZ2-CG 4.24Å; W325-P327 HydrophobicContact CZ3-CG 4.48Å; W325-A353 WeakPolarHBondContact O-CB 3.45Å; W325-F363 HydrophobicContact CE3-CD1 4.36Å; W325-F363 HydrophobicContact CE3-CG 4.48Å; W325-F363 HydrophobicContact CH2-CB 3.63Å; W325-F363 AromaticContact CH2-CD1 3.9Å; W325-F363 HydrophobicContact CH2-CD1 3.9Å; W325-F363 AromaticContact CH2-CG 3.86Å; W325-F363 HydrophobicContact CH2-CG 3.86Å; W325-F363 HydrophobicContact CZ3-CB 3.65Å; W325-F363 AromaticContact CZ3-CD1 3.52Å; W325-F363 HydrophobicContact CZ3-CD1 3.52Å; W325-F363 AromaticContact CZ3-CD2 3.92Å; W325-F363 HydrophobicContact CZ3-CD2 3.92Å; W325-F363 HydrophobicContact CZ3-CE1 4.1Å; W325-F363 HydrophobicContact CZ3-CE2 4.46Å; W325-F363 AromaticContact CZ3-CG 3.42Å; W325-F363 HydrophobicContact CZ3-CG 3.42Å; W325-F363 VanDerWaalsContact CZ3-CG 3.42Å
326E95.6Very high95.4Very high18 Ų1838.3 Ų38.38%0.08422%0.218CC..  trans-128.560-176.3-163.9176.4-171.300111.7Y288 C295 Q296 R349 I350Y288-E326 WeakPolarHBondContact CE2-OE2 3.46Å; C295-E326 HydrophobicContact CB-CB 4.17Å; C295-E326 PolarHBondContact O-N 3.46Å; Q296-E326 PolarHBondContact NE2-O 3.21Å; E326-R349 HydrophobicContact CG-CB 3.39Å; E326-R349 HydrophobicContact CG-CG 4.31Å; E326-R349 WeakPolarHBondContact OE1-CB 3.4Å; E326-I350 HydrophobicContact CB-CG1 4.04Å; E326-I350 HydrophobicContact CG-CG1 4.23Å
327P97Very high95.4Very high2 Ų241.1 Ų41.11%0.01323%0.233CC..  trans-70.7155-175.929.6-33.6000112.7V256 W325 Y329 A353 F363V256-P327 HydrophobicContact CG1-CB 4.09Å; V256-P327 HydrophobicContact CG2-CB 4.25Å; W325-P327 VanDerWaalsContact C-CD 3.47Å; W325-P327 HydrophobicContact CD2-CB 4.2Å; W325-P327 HydrophobicContact CD2-CG 3.87Å; W325-P327 HydrophobicContact CE3-CG 4.16Å; W325-P327 HydrophobicContact CG-CG 4.33Å; W325-P327 HydrophobicContact CH2-CB 4.48Å; W325-P327 HydrophobicContact CZ2-CB 3.85Å; W325-P327 HydrophobicContact CZ2-CG 4.24Å; W325-P327 HydrophobicContact CZ3-CG 4.48Å; P327-Y329 HydrophobicContact CG-CD1 4.37Å; P327-A353 HydrophobicContact CG-CB 4.14Å; P327-F363 HydrophobicContact CG-CE1 4.41Å
328F98.4Very high95.3Very high2 Ų240.8 Ų40.81%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-91.8137.4155.4-64.6-98.7000108I226 M230 V256 V257 A259 F287 R349 L371I226-F328 HydrophobicContact CB-CD1 4.38Å; I226-F328 HydrophobicContact CB-CE1 4.4Å; I226-F328 HydrophobicContact CG2-CD1 4.02Å; M230-F328 HydrophobicContact CE-CE1 4.35Å; M230-F328 HydrophobicContact CE-CE2 4.03Å; M230-F328 HydrophobicContact CE-CZ 3.85Å; M230-F328 HydrophobicContact CG-CE1 4.23Å; M230-F328 HydrophobicContact CG-CZ 4.3Å; M230-F328 HydrophobicContact SD-CZ 4.27Å; V256-F328 WeakPolarHBondContact CA-O 3.42Å; V257-F328 PolarHBondContact N-O 3.32Å; A259-F328 HydrophobicContact CB-CD2 3.44Å; A259-F328 VanDerWaalsContact CB-CD2 3.44Å; A259-F328 HydrophobicContact CB-CE2 3.62Å; A259-F328 HydrophobicContact CB-CG 4.4Å; F287-F328 AromaticContact CD1-CE2 3.86Å; F287-F328 HydrophobicContact CD1-CE2 3.86Å; F287-F328 HydrophobicContact CD1-CZ 4.44Å; F287-F328 AromaticContact CE1-CE2 3.84Å; F287-F328 HydrophobicContact CE1-CE2 3.84Å; F287-F328 AromaticContact CE1-CZ 3.98Å; F287-F328 HydrophobicContact CE1-CZ 3.98Å; F287-F328 HydrophobicContact CZ-CZ 4.36Å; F328-R349 VanDerWaalsContact CE1-NH1 3.31Å; F328-L371 HydrophobicContact CB-CD1 3.6Å; F328-L371 HydrophobicContact CD1-CD1 3.49Å; F328-L371 VanDerWaalsContact CD1-CD1 3.49Å; F328-L371 HydrophobicContact CD2-CD1 4.22Å; F328-L371 HydrophobicContact CE1-CD1 4.19Å; F328-L371 HydrophobicContact CG-CD1 3.51Å
329Y98.1Very high95.4Very high13 Ų1337.8 Ų37.85%0.05121%0.213CC..EExtended strand (participates in β ladder)trans-149.1154-175.362.1-94.3000111.7L224 A254 L255 P327 A331 Q352 L356L224-Y329 WeakPolarHBondContact CD1-O 3.26Å; A254-Y329 HydrophobicContact CB-CD2 4.26Å; A254-Y329 HydrophobicContact CB-CG 4.23Å; L255-Y329 CarbonylContact O-C 3.56Å; L255-Y329 WeakPolarHBondContact O-CA 3.19Å; P327-Y329 HydrophobicContact CG-CD1 4.37Å; Y329-A331 HydrophobicContact CD2-CB 3.62Å; Y329-A331 HydrophobicContact CE2-CB 3.76Å; Y329-Q352 HydrophobicContact CE1-CG 4.43Å; Y329-Q352 WeakPolarHBondContact OH-CG 3.43Å; Y329-Q352 PolarHBondContact OH-NE2 2.67Å; Y329-L356 HydrophobicContact CD1-CD1 4.29Å; Y329-L356 HydrophobicContact CD2-CD1 4.39Å; Y329-L356 HydrophobicContact CE1-CD1 3.62Å; Y329-L356 HydrophobicContact CE2-CD1 3.77Å; Y329-L356 WeakPolarHBondContact OH-CD1 3.27Å
330V97.8Very high95.4Very high0 Ų040.1 Ų40.10%022%0.223CC..EExtended strand (participates in β ladder)trans-96.5126.7160.8-178.20000107.1V95 A223 L224 L240 L255 V257V95-V330 HydrophobicContact CG1-CG1 3.77Å; V95-V330 HydrophobicContact CG1-CG2 4.32Å; V95-V330 HydrophobicContact CG2-CG1 4.11Å; A223-V330 WeakPolarHBondContact O-CA 3.37Å; L224-V330 HydrophobicContact CB-CG2 3.94Å; L224-V330 HydrophobicContact CD1-CG2 4.13Å; L224-V330 HydrophobicContact CD2-CG2 4.35Å; L224-V330 HydrophobicContact CG-CG2 4.33Å; L240-V330 HydrophobicContact CD1-CG2 3.6Å; L240-V330 HydrophobicContact CD2-CB 4.41Å; L240-V330 HydrophobicContact CD2-CG2 3.87Å; L240-V330 HydrophobicContact CG-CG2 4.4Å; L255-V330 HydrophobicContact CB-CB 4.18Å; L255-V330 HydrophobicContact CD1-CB 4.44Å; L255-V330 PolarHBondContact N-O 2.9Å; L255-V330 PolarHBondContact O-N 3.17Å; V257-V330 HydrophobicContact CG2-CG2 4.2Å
331A95.8Very high95.4Very high5 Ų540.2 Ų40.24%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-146.2152.917200000110.1Y222 A223 Y329 V335 F361Y222-A331 WeakPolarHBondContact CA-O 3.39Å; A223-A331 PolarHBondContact N-O 3.07Å; A223-A331 VanDerWaalsContact N-O 3.1Å; A223-A331 PolarHBondContact O-N 2.78Å; Y329-A331 HydrophobicContact CD2-CB 3.62Å; Y329-A331 HydrophobicContact CE2-CB 3.76Å; A331-V335 HydrophobicContact CB-CG2 3.62Å; A331-F361 HydrophobicContact CB-CE1 4.4Å
332G90.9Very high95.4Very high2 Ų238.7 Ų38.72%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-136.3-174176.200000113.1N221 V335N221-G332 WeakPolarHBondContact O-CA 3.45Å; G332-V335 WeakPolarHBondContact O-CG2 3.4Å
333G83.8Confident95.3Very high62 Ų6236.2 Ų36.264%0.63919%0.192SC*.SBendtrans72.3-129.4-177.400000112.3N221 V335N221-G333 PolarHBondContact O-N 2.91Å; G333-V335 PolarHBondContact O-N 3.38Å
334K88.4Confident95.1Very high196 Ų19633.1 Ų33.185%0.85218%0.175SC*.SBendtrans-87.645.8-171.5-63.6-176.9-178.8177.20113.1P336K334-P336 WeakPolarHBondContact O-CD 3.49Å
335V95Very high94.7Very high19 Ų1933.9 Ų33.912%0.11517%0.174CC..PPolyproline II helixtrans-66118.1177.9178.80000109.7R217 A331 G332 G333 L356 F361R217-V335 PolarHBondContact NH2-O 3.06Å; R217-V335 VanDerWaalsContact NH2-O 3.09Å; A331-V335 HydrophobicContact CB-CG2 3.62Å; G332-V335 WeakPolarHBondContact O-CG2 3.4Å; G333-V335 PolarHBondContact O-N 3.38Å; V335-L356 HydrophobicContact CG1-CD2 4.24Å; V335-F361 HydrophobicContact CG2-CE1 4.06Å; V335-F361 HydrophobicContact CG2-CZ 3.97Å
336P96.1Very high94.4Very high13 Ų1334.4 Ų34.48%0.08418%0.18CC..PPolyproline II helixtrans-59.7143.7178.324.7-32000111R217 K334 Q352 E355 L356R217-P336 PolarHBondContact NH2-O 3.1Å; K334-P336 WeakPolarHBondContact O-CD 3.49Å; P336-Q352 PolarHBondContact O-NE2 3.36Å; P336-E355 HydrophobicContact CB-CG 4Å; P336-E355 HydrophobicContact CG-CB 4.42Å; P336-E355 HydrophobicContact CG-CG 3.82Å; P336-L356 HydrophobicContact CG-CD2 4.28Å
337T96.3Very high94.3Very high85 Ų8535 Ų3552%0.52118%0.182SC..PPolyproline II helixtrans-61.8140172.350.50000110.4D339T337-D339 PolarHBondContact O-N 3.03Å
338F97.8Very high94.2Very high3 Ų335.5 Ų35.51%0.01319%0.185CC..PPolyproline II helixtrans-58.3133.5170.6-70.9-101.5000108.8N210 R213 N214 V225 E340 Q352N210-F338 HydrophobicContact CB-CB 3.69Å; R213-F338 HydrophobicContact CB-CD2 3.95Å; R213-F338 HydrophobicContact CB-CE2 4.13Å; R213-F338 HydrophobicContact CB-CG 4.25Å; N214-F338 PolarHBondContact ND2-O 2.73Å; N214-F338 PolarHBondContact OD1-N 3.32Å; V225-F338 HydrophobicContact CB-CZ 4.33Å; V225-F338 HydrophobicContact CG1-CE2 4.4Å; V225-F338 HydrophobicContact CG1-CZ 4.15Å; V225-F338 HydrophobicContact CG2-CE2 4.16Å; V225-F338 HydrophobicContact CG2-CZ 4.37Å; F338-E340 PolarHBondContact O-N 3.24Å; F338-E340 VanDerWaalsContact O-N 3.16Å; F338-Q352 VanDerWaalsContact CA-OE1 3.28Å; F338-Q352 HydrophobicContact CD1-CB 3.67Å; F338-Q352 HydrophobicContact CD1-CG 3.76Å; F338-Q352 HydrophobicContact CE1-CB 3.61Å; F338-Q352 HydrophobicContact CE1-CG 3.45Å; F338-Q352 VanDerWaalsContact CE1-CG 3.45Å; F338-Q352 HydrophobicContact CE2-CG 4.3Å; F338-Q352 HydrophobicContact CG-CG 4.31Å; F338-Q352 HydrophobicContact CZ-CB 4.4Å; F338-Q352 HydrophobicContact CZ-CG 3.74Å
339D97.9Very high94Very high28 Ų2835.9 Ų35.915%0.1519%0.186CC..  trans-70.2113.1179.7-175.2-34.8000110.4N210 T337 R341 F342 F400N210-D339 WeakPolarHBondContact CB-O 3.41Å; N210-D339 PolarHBondContact ND2-O 2.77Å; T337-D339 PolarHBondContact O-N 3.03Å; D339-R341 PolarHBondContact O-N 3.5Å; D339-R341 WeakPolarHBondContact OD1-CB 3.32Å; D339-R341 WeakPolarHBondContact OD1-CG 3.46Å; D339-R341 IonicContact OD1-CZ 3.95Å; D339-R341 PolarHBondContact OD1-N 2.77Å; D339-R341 IonicContact OD1-NE 3.94Å; D339-R341 PolarHBondContact OD1-NE 3.15Å; D339-R341 IonicContact OD1-NH2 2.63Å; D339-R341 IonicContact OD2-CZ 2.71Å; D339-R341 IonicContact OD2-NE 3.34Å; D339-R341 PolarHBondContact OD2-NE 3.44Å; D339-R341 IonicContact OD2-NH2 2.9Å; D339-R341 PolarHBondContact OD2-NH2 3.3Å; D339-F342 HydrophobicContact CB-CD2 3.78Å; D339-F342 HydrophobicContact CB-CE2 3.97Å; D339-F342 PolarHBondContact O-N 3.33Å; D339-F400 HydrophobicContact CB-CD2 4.45Å; D339-F400 HydrophobicContact CB-CE2 3.98Å; D339-F400 WeakPolarHBondContact OD2-CD2 3.42Å; D339-F400 WeakPolarHBondContact OD2-CE2 3.4Å
340E97.7Very high94Very high56 Ų5635.8 Ų35.826%0.26219%0.186SC..THydrogen-bonded Turntrans-72.6-7.5-171.2-57.5-173.6170.200113.7L211 N214 F338 F342L211-E340 HydrophobicContact CB-CG 4.3Å; N214-E340 WeakPolarHBondContact ND2-CG 3.38Å; N214-E340 PolarHBondContact ND2-OE1 2.84Å; F338-E340 PolarHBondContact O-N 3.24Å; F338-E340 VanDerWaalsContact O-N 3.16Å; E340-F342 VanDerWaalsContact C-N 3.29Å
341R96.6Very high94Very high94 Ų9435.8 Ų35.836%0.35519%0.186SC..THydrogen-bonded Turntrans-70.5-27.5171.4-59176.6-65.4173.60.4111.6D339 R343 L396 E403D339-R341 PolarHBondContact O-N 3.5Å; D339-R341 WeakPolarHBondContact OD1-CB 3.32Å; D339-R341 WeakPolarHBondContact OD1-CG 3.46Å; D339-R341 IonicContact OD1-CZ 3.95Å; D339-R341 PolarHBondContact OD1-N 2.77Å; D339-R341 IonicContact OD1-NE 3.94Å; D339-R341 PolarHBondContact OD1-NE 3.15Å; D339-R341 IonicContact OD1-NH2 2.63Å; D339-R341 IonicContact OD2-CZ 2.71Å; D339-R341 IonicContact OD2-NE 3.34Å; D339-R341 PolarHBondContact OD2-NE 3.44Å; D339-R341 IonicContact OD2-NH2 2.9Å; D339-R341 PolarHBondContact OD2-NH2 3.3Å; R341-R343 PolarHBondContact O-N 3.48Å; R341-R343 VanDerWaalsContact O-N 3.08Å; R341-L396 HydrophobicContact CB-CD1 4.39Å; R341-L396 HydrophobicContact CB-CD2 3.66Å; R341-E403 IonicContact CZ-OE2 2.8Å; R341-E403 IonicContact NH1-OE1 3.96Å; R341-E403 PolarHBondContact NH1-OE1 3.13Å; R341-E403 VanDerWaalsContact NH1-OE1 3.14Å; R341-E403 IonicContact NH1-OE2 3.84Å; R341-E403 PolarHBondContact NH1-OE2 3.28Å; R341-E403 VanDerWaalsContact NH1-OE2 3.11Å; R341-E403 IonicContact NH2-OE2 3.89Å; R341-E403 PolarHBondContact NH2-OE2 2.69Å
342F96.7Very high94.1Very high0 Ų035.6 Ų35.60%018%0.184CC..  trans-7894.2173.6-64.2-87.8000110.5N209 D339 E340 F347 N348 N393 L396 Y397 F400N209-F342 PolarHBondContact ND2-O 3.1Å; N209-F342 PolarHBondContact OD1-O 2.78Å; D339-F342 HydrophobicContact CB-CD2 3.78Å; D339-F342 HydrophobicContact CB-CE2 3.97Å; D339-F342 PolarHBondContact O-N 3.33Å; E340-F342 VanDerWaalsContact C-N 3.29Å; F342-F347 HydrophobicContact CD1-CB 4.14Å; F342-F347 HydrophobicContact CE1-CB 3.99Å; F342-N348 HydrophobicContact CB-CB 3.92Å; F342-N393 HydrophobicContact CD1-CB 4.16Å; F342-L396 HydrophobicContact CD1-CD2 3.8Å; F342-L396 HydrophobicContact CD1-CG 4.3Å; F342-L396 HydrophobicContact CD2-CD2 4.12Å; F342-L396 HydrophobicContact CE1-CB 4.08Å; F342-L396 HydrophobicContact CE1-CD2 3.84Å; F342-L396 HydrophobicContact CE1-CG 3.82Å; F342-L396 HydrophobicContact CE2-CD2 4.17Å; F342-L396 HydrophobicContact CE2-CG 4.23Å; F342-L396 HydrophobicContact CG-CD2 3.94Å; F342-L396 HydrophobicContact CZ-CB 4.41Å; F342-L396 HydrophobicContact CZ-CD2 4.03Å; F342-L396 HydrophobicContact CZ-CG 3.78Å; F342-Y397 HydrophobicContact CZ-CD2 4.38Å; F342-F400 HydrophobicContact CE2-CB 4.28Å; F342-F400 HydrophobicContact CE2-CD2 4.1Å; F342-F400 HydrophobicContact CE2-CG 4.08Å; F342-F400 HydrophobicContact CZ-CB 3.97Å; F342-F400 HydrophobicContact CZ-CG 4.14Å
343R94.2Very high94.4Very high56 Ų5635.6 Ų35.621%0.21118%0.184CC..  trans-104.7157.8176.8-57.3174.7-175.6177.2-4.1109.7S76 D78 N209 R341 N393S76-R343 PolarHBondContact OG-NH2 3.05Å; D78-R343 IonicContact OD2-CZ 3.01Å; D78-R343 VanDerWaalsContact OD2-CZ 3.26Å; D78-R343 IonicContact OD2-NH1 3.83Å; D78-R343 PolarHBondContact OD2-NH1 3.08Å; D78-R343 IonicContact OD2-NH2 3.27Å; D78-R343 PolarHBondContact OD2-NH2 3.18Å; N209-R343 VanDerWaalsContact OD1-C 3.3Å; N209-R343 WeakPolarHBondContact OD1-CA 3.41Å; R341-R343 PolarHBondContact O-N 3.48Å; R341-R343 VanDerWaalsContact O-N 3.08Å; R343-N393 PolarHBondContact O-ND2 2.93Å
344Q89.9Confident95.1Very high12 Ų1232.6 Ų32.66%0.05615%0.153CC..SBendtrans54.6-149.3179.5-60.8-81.662.900113.4Y207 N209 N348 E389Y207-Q344 PolarHBondContact O-N 2.8Å; N209-Q344 PolarHBondContact OD1-N 3.4Å; N209-Q344 PolarHBondContact OD1-O 2.88Å; Q344-N348 PolarHBondContact O-ND2 3.46Å; Q344-E389 HydrophobicContact CB-CB 4.33Å; Q344-E389 HydrophobicContact CB-CG 4.06Å; Q344-E389 WeakPolarHBondContact CB-OE2 3.42Å; Q344-E389 HydrophobicContact CG-CG 4.47Å; Q344-E389 WeakPolarHBondContact CG-OE1 3.38Å; Q344-E389 PolarHBondContact NE2-OE1 3.39Å
345Y86.9Confident95.5Very high46 Ų4623.4 Ų23.418%0.1811%0.113CC..SBendtrans-78.6137-168.4-173.3-88000113.8F382 K386 N390 N393Y345-F382 HydrophobicContact CD2-CD1 4.43Å; Y345-F382 HydrophobicContact CD2-CE1 4.12Å; Y345-F382 HydrophobicContact CE2-CD1 4.27Å; Y345-F382 AromaticContact CE2-CE1 3.65Å; Y345-F382 HydrophobicContact CE2-CE1 3.65Å; Y345-F382 HydrophobicContact CE2-CZ 4.1Å; Y345-K386 HydrophobicContact CD1-CD 4.23Å; Y345-K386 HydrophobicContact CD1-CG 3.63Å; Y345-K386 HydrophobicContact CD2-CG 4.1Å; Y345-K386 HydrophobicContact CE1-CD 4.14Å; Y345-K386 HydrophobicContact CE1-CG 4.06Å; Y345-K386 HydrophobicContact CE2-CG 4.48Å; Y345-K386 HydrophobicContact CG-CG 3.64Å; Y345-K386 WeakPolarHBondContact OH-CE 3.36Å; Y345-N390 HydrophobicContact CD1-CB 3.93Å; Y345-N390 HydrophobicContact CE1-CB 4.29Å; Y345-N393 PolarHBondContact O-ND2 2.82Å
346G90.7Very high95.7Very high11 Ų1122.5 Ų22.511%0.11311%0.108CC..SBendtrans94.8144.9166.600000114.9N348 N390 N393G346-N348 PolarHBondContact O-N 3.04Å; G346-N390 WeakPolarHBondContact CA-OD1 3.34Å; G346-N393 WeakPolarHBondContact O-CB 2.96Å; G346-N393 PolarHBondContact O-ND2 2.04Å; G346-N393 VanDerWaalsContact O-ND2 3.11Å
347F94.4Very high95.7Very high29 Ų2923.3 Ų23.313%0.12711%0.111CC..SBendtrans54.11.8175.2-59.9-89.5000117.6F342 I350 S351 N393 K394 Y397F342-F347 HydrophobicContact CD1-CB 4.14Å; F342-F347 HydrophobicContact CE1-CB 3.99Å; F347-I350 HydrophobicContact CD1-CD1 4.28Å; F347-I350 HydrophobicContact CD1-CG2 4.41Å; F347-S351 WeakPolarHBondContact O-CB 3.28Å; F347-S351 PolarHBondContact O-N 2.92Å; F347-S351 PolarHBondContact O-OG 3.46Å; F347-N393 HydrophobicContact CB-CB 4.24Å; F347-N393 HydrophobicContact CD2-CB 4.2Å; F347-K394 HydrophobicContact CD2-CB 4.04Å; F347-K394 HydrophobicContact CE1-CG 4.49Å; F347-K394 HydrophobicContact CE2-CB 3.49Å; F347-K394 VanDerWaalsContact CE2-CB 3.49Å; F347-K394 HydrophobicContact CE2-CD 4.36Å; F347-K394 HydrophobicContact CE2-CG 3.89Å; F347-K394 HydrophobicContact CZ-CB 3.89Å; F347-K394 HydrophobicContact CZ-CD 4.19Å; F347-K394 HydrophobicContact CZ-CG 3.74Å; F347-Y397 HydrophobicContact CB-CG 4.41Å; F347-Y397 AromaticContact CD1-CD1 3.39Å; F347-Y397 HydrophobicContact CD1-CD1 3.39Å; F347-Y397 HydrophobicContact CD1-CD2 4.49Å; F347-Y397 HydrophobicContact CD1-CE1 4.01Å; F347-Y397 AromaticContact CD1-CG 3.67Å; F347-Y397 HydrophobicContact CD1-CG 3.67Å; F347-Y397 AromaticContact CE1-CD1 3.68Å; F347-Y397 HydrophobicContact CE1-CD1 3.68Å; F347-Y397 HydrophobicContact CE1-CE1 4.2Å; F347-Y397 HydrophobicContact CE1-CG 4.37Å; F347-Y397 HydrophobicContact CG-CD1 4.42Å; F347-Y397 HydrophobicContact CG-CG 4.32Å
348N94.1Very high95.8Very high14 Ų1419.4 Ų19.48%0.0759%0.087CC..Hα-helixtrans-72.3-43.4-175.660.158000114.1N209 N210 R213 F342 Q344 G346 S351N209-N348 WeakPolarHBondContact ND2-CB 3.3Å; N210-N348 PolarHBondContact ND2-O 3.38Å; R213-N348 PolarHBondContact NH1-OD1 3.46Å; R213-N348 PolarHBondContact NH2-OD1 2.88Å; F342-N348 HydrophobicContact CB-CB 3.92Å; Q344-N348 PolarHBondContact O-ND2 3.46Å; G346-N348 PolarHBondContact O-N 3.04Å; N348-S351 PolarHBondContact O-OG 2.73Å
349R95.2Very high95.8Very high10 Ų1021 Ų214%0.03810%0.101CC..Hα-helixtrans-86.3-30.6172.2-78.4179176.1-99.9-4.6112.1V225 D227 E326 F328 S351 Q352 A353V225-R349 PolarHBondContact O-NH1 2.9Å; V225-R349 VanDerWaalsContact O-NH1 3.15Å; V225-R349 PolarHBondContact O-NH2 3.38Å; D227-R349 IonicContact OD1-CZ 3.26Å; D227-R349 IonicContact OD1-NE 2.85Å; D227-R349 PolarHBondContact OD1-NE 3.47Å; D227-R349 IonicContact OD1-NH2 3.78Å; D227-R349 PolarHBondContact OD1-NH2 2.97Å; E326-R349 HydrophobicContact CG-CB 3.39Å; E326-R349 HydrophobicContact CG-CG 4.31Å; E326-R349 WeakPolarHBondContact OE1-CB 3.4Å; F328-R349 VanDerWaalsContact CE1-NH1 3.31Å; R349-S351 VanDerWaalsContact C-N 3.33Å; R349-S351 PolarHBondContact O-N 3.39Å; R349-Q352 WeakPolarHBondContact O-CB 3.3Å; R349-Q352 PolarHBondContact O-N 3.44Å; R349-A353 PolarHBondContact O-N 2.7Å
350I97.1Very high95.7Very high10 Ų1021.1 Ų21.15%0.05111%0.108CC..Hα-helixtrans-60-45.2175.5-62.7162.9000110.3P324 E326 F347 Q352 A353 C354 Y397P324-I350 HydrophobicContact CB-CD1 4.04Å; P324-I350 HydrophobicContact CB-CG1 4.42Å; P324-I350 HydrophobicContact CB-CG2 3.95Å; E326-I350 HydrophobicContact CB-CG1 4.04Å; E326-I350 HydrophobicContact CG-CG1 4.23Å; F347-I350 HydrophobicContact CD1-CD1 4.28Å; F347-I350 HydrophobicContact CD1-CG2 4.41Å; I350-Q352 VanDerWaalsContact C-N 3.32Å; I350-Q352 PolarHBondContact O-N 3.14Å; I350-A353 PolarHBondContact O-N 3.42Å; I350-C354 WeakPolarHBondContact O-CB 3.43Å; I350-C354 PolarHBondContact O-N 3.38Å; I350-Y397 HydrophobicContact CG2-CE1 4.31Å; I350-Y397 HydrophobicContact CG2-CE2 4.47Å
351S97.9Very high95.7Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-59.9-41.3174.6530000112.3F347 N348 R349 C354 E355 F400F347-S351 WeakPolarHBondContact O-CB 3.28Å; F347-S351 PolarHBondContact O-N 2.92Å; F347-S351 PolarHBondContact O-OG 3.46Å; N348-S351 PolarHBondContact O-OG 2.73Å; R349-S351 VanDerWaalsContact C-N 3.33Å; R349-S351 PolarHBondContact O-N 3.39Å; S351-C354 WeakPolarHBondContact O-CB 3.27Å; S351-C354 PolarHBondContact O-N 3.18Å; S351-E355 PolarHBondContact O-N 2.9Å; S351-F400 WeakPolarHBondContact O-CE1 3.26Å
352Q97.8Very high95.6Very high2 Ų217.6 Ų17.61%0.00910%0.098CC..Hα-helixtrans-61.6-46.7176-178.566.816.600112.5Y329 P336 F338 R349 I350 C354 E355 L356Y329-Q352 HydrophobicContact CE1-CG 4.43Å; Y329-Q352 WeakPolarHBondContact OH-CG 3.43Å; Y329-Q352 PolarHBondContact OH-NE2 2.67Å; P336-Q352 PolarHBondContact O-NE2 3.36Å; F338-Q352 VanDerWaalsContact CA-OE1 3.28Å; F338-Q352 HydrophobicContact CD1-CB 3.67Å; F338-Q352 HydrophobicContact CD1-CG 3.76Å; F338-Q352 HydrophobicContact CE1-CB 3.61Å; F338-Q352 HydrophobicContact CE1-CG 3.45Å; F338-Q352 VanDerWaalsContact CE1-CG 3.45Å; F338-Q352 HydrophobicContact CE2-CG 4.3Å; F338-Q352 HydrophobicContact CG-CG 4.31Å; F338-Q352 HydrophobicContact CZ-CB 4.4Å; F338-Q352 HydrophobicContact CZ-CG 3.74Å; R349-Q352 WeakPolarHBondContact O-CB 3.3Å; R349-Q352 PolarHBondContact O-N 3.44Å; I350-Q352 VanDerWaalsContact C-N 3.32Å; I350-Q352 PolarHBondContact O-N 3.14Å; Q352-C354 VanDerWaalsContact C-N 3.33Å; Q352-C354 PolarHBondContact O-N 3.38Å; Q352-E355 PolarHBondContact O-N 3.48Å; Q352-L356 HydrophobicContact CG-CD1 4.44Å; Q352-L356 PolarHBondContact O-N 2.9Å
353A97.8Very high95.7Very high1 Ų117.8 Ų17.81%0.00810%0.098CC..Hα-helixtrans-64.9-39.7179.200000111.7W321 W325 P327 R349 I350 H357W321-A353 PolarHBondContact NE1-O 3.14Å; W325-A353 WeakPolarHBondContact O-CB 3.45Å; P327-A353 HydrophobicContact CG-CB 4.14Å; R349-A353 PolarHBondContact O-N 2.7Å; I350-A353 PolarHBondContact O-N 3.42Å; A353-H357 PolarHBondContact O-N 2.64Å
354C98Very high95.9Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-57.7-49.1171.1158.90000111.7W321 I350 S351 Q352 H357 V358 Y397 L404 C415W321-C354 HydrophobicContact CZ2-CB 3.79Å; I350-C354 WeakPolarHBondContact O-CB 3.43Å; I350-C354 PolarHBondContact O-N 3.38Å; S351-C354 WeakPolarHBondContact O-CB 3.27Å; S351-C354 PolarHBondContact O-N 3.18Å; Q352-C354 VanDerWaalsContact C-N 3.33Å; Q352-C354 PolarHBondContact O-N 3.38Å; C354-H357 WeakPolarHBondContact O-CB 3.5Å; C354-H357 PolarHBondContact O-N 3.16Å; C354-V358 WeakPolarHBondContact O-CG2 3.48Å; C354-V358 PolarHBondContact O-N 3.4Å; C354-Y397 HydrophobicContact CB-CE2 4.19Å; C354-L404 WeakPolarHBondContact SG-CD1 3.47Å; C354-C415 VanDerWaalsContact C-SG 3.52Å; C354-C415 WeakPolarHBondContact CA-SG 3.43Å; C354-C415 HydrophobicContact CB-CB 4.07Å; C354-C415 WeakPolarHBondContact CB-SG 3.24Å; C354-C415 PolarHBondContact O-SG 2.81Å; C354-C415 VanDerWaalsContact O-SG 3.32Å; C354-C415 WeakPolarHBondContact SG-CB 2.87Å; C354-C415 CovalentContact SG-SG 2.01Å; C354-C415 PolarHBondContact SG-SG 2.81Å
355E98.3Very high96.3Very high2 Ų216.7 Ų16.71%0.00910%0.096CC..Hα-helixtrans-66.4-40.2-179.7-172.7170.3-172.700112.5P336 S351 Q352 H357 V358 A359 F400 L404 K407 Y408P336-E355 HydrophobicContact CB-CG 4Å; P336-E355 HydrophobicContact CG-CB 4.42Å; P336-E355 HydrophobicContact CG-CG 3.82Å; S351-E355 PolarHBondContact O-N 2.9Å; Q352-E355 PolarHBondContact O-N 3.48Å; E355-H357 VanDerWaalsContact C-N 3.31Å; E355-H357 PolarHBondContact O-N 3.43Å; E355-V358 PolarHBondContact O-N 3.37Å; E355-A359 WeakPolarHBondContact O-CB 3.49Å; E355-A359 PolarHBondContact O-N 3.28Å; E355-F400 HydrophobicContact CB-CE1 4.34Å; E355-F400 HydrophobicContact CB-CZ 3.94Å; E355-F400 HydrophobicContact CG-CZ 4.43Å; E355-F400 WeakPolarHBondContact OE2-CZ 3.45Å; E355-L404 HydrophobicContact CB-CD1 4.27Å; E355-L404 HydrophobicContact CB-CD2 4.13Å; E355-L404 HydrophobicContact CG-CD2 3.65Å; E355-K407 WeakPolarHBondContact OE1-CE 3.23Å; E355-K407 IonicContact OE1-NZ 3.25Å; E355-K407 PolarHBondContact OE1-NZ 3.39Å; E355-Y408 HydrophobicContact CG-CE2 3.97Å; E355-Y408 PolarHBondContact OE1-OH 3.42Å
356L97.7Very high96.8Very high0 Ų014.5 Ų14.50%09%0.087CC..Hα-helixtrans-55-48172.3-83.1171.9000111.7Y329 V335 P336 Q352 V358 A359 G360 F361 F363Y329-L356 HydrophobicContact CD1-CD1 4.29Å; Y329-L356 HydrophobicContact CD2-CD1 4.39Å; Y329-L356 HydrophobicContact CE1-CD1 3.62Å; Y329-L356 HydrophobicContact CE2-CD1 3.77Å; Y329-L356 WeakPolarHBondContact OH-CD1 3.27Å; V335-L356 HydrophobicContact CG1-CD2 4.24Å; P336-L356 HydrophobicContact CG-CD2 4.28Å; Q352-L356 HydrophobicContact CG-CD1 4.44Å; Q352-L356 PolarHBondContact O-N 2.9Å; L356-V358 PolarHBondContact O-N 2.84Å; L356-A359 PolarHBondContact O-N 3.35Å; L356-G360 PolarHBondContact O-N 2.86Å; L356-F361 HydrophobicContact CB-CB 4.2Å; L356-F361 HydrophobicContact CB-CG 4.46Å; L356-F361 HydrophobicContact CD2-CB 4.15Å; L356-F361 HydrophobicContact CD2-CD1 3.81Å; L356-F361 HydrophobicContact CD2-CD2 3.53Å; L356-F361 HydrophobicContact CD2-CE1 4.05Å; L356-F361 HydrophobicContact CD2-CE2 3.78Å; L356-F361 HydrophobicContact CD2-CG 3.55Å; L356-F361 HydrophobicContact CD2-CZ 4.04Å; L356-F361 WeakPolarHBondContact O-CB 3.46Å; L356-F361 PolarHBondContact O-N 2.67Å; L356-F363 HydrophobicContact CB-CE1 4.49Å; L356-F363 HydrophobicContact CB-CZ 3.97Å; L356-F363 HydrophobicContact CD1-CE1 4.5Å
357H97.8Very high97.2Very high31 Ų3114 Ų1414%0.1448%0.082CC..Hα-helixtrans-57.5-49.7176.6174.462.6000111.3W321 A353 C354 E355 A359 G360 F363 R413W321-H357 HydrophobicContact CB-CB 3.96Å; W321-H357 HydrophobicContact CD2-CB 3.89Å; W321-H357 AromaticContact CD2-CD2 3.8Å; W321-H357 AromaticContact CD2-CG 3.77Å; W321-H357 HydrophobicContact CE3-CB 4.46Å; W321-H357 AromaticContact CE3-CD2 3.46Å; W321-H357 VanDerWaalsContact CE3-CD2 3.46Å; W321-H357 AromaticContact CE3-CG 3.91Å; W321-H357 AromaticContact CE3-NE2 3.88Å; W321-H357 HydrophobicContact CG-CB 3.61Å; W321-H357 AromaticContact CG-CG 3.67Å; A353-H357 PolarHBondContact O-N 2.64Å; C354-H357 WeakPolarHBondContact O-CB 3.5Å; C354-H357 PolarHBondContact O-N 3.16Å; E355-H357 VanDerWaalsContact C-N 3.31Å; E355-H357 PolarHBondContact O-N 3.43Å; H357-A359 VanDerWaalsContact C-N 3.29Å; H357-A359 PolarHBondContact O-N 3.06Å; H357-G360 PolarHBondContact O-N 2.88Å; H357-G360 VanDerWaalsContact O-N 3.1Å; H357-F363 HydrophobicContact CB-CE2 4.02Å; H357-F363 HydrophobicContact CB-CZ 4.38Å; H357-R413 WeakPolarHBondContact NE2-CB 3.17Å; H357-R413 WeakPolarHBondContact O-CB 3.41Å; H357-R413 WeakPolarHBondContact O-CD 3.34Å
358V97.8Very high97.2Very high3 Ų314 Ų142%0.0188%0.082CC..Hα-helixtrans-65.3-33.3179.4177.20000111.9C354 E355 L356 G360 L404 Y408 S411 C415C354-V358 WeakPolarHBondContact O-CG2 3.48Å; C354-V358 PolarHBondContact O-N 3.4Å; E355-V358 PolarHBondContact O-N 3.37Å; L356-V358 PolarHBondContact O-N 2.84Å; V358-G360 PolarHBondContact O-N 2.98Å; V358-L404 HydrophobicContact CG2-CD1 4.2Å; V358-Y408 HydrophobicContact CG1-CD2 3.74Å; V358-Y408 HydrophobicContact CG1-CG 3.8Å; V358-S411 WeakPolarHBondContact O-CB 3.43Å; V358-S411 PolarHBondContact O-OG 3.46Å; V358-C415 VanDerWaalsContact CG2-SG 3.57Å
359A96.9Very high97.3Very high37 Ų3713.5 Ų13.531%0.3068%0.08SC..THydrogen-bonded Turntrans-72.5-5175.800000113.8E355 L356 H357 F361 Y408E355-A359 WeakPolarHBondContact O-CB 3.49Å; E355-A359 PolarHBondContact O-N 3.28Å; L356-A359 PolarHBondContact O-N 3.35Å; H357-A359 VanDerWaalsContact C-N 3.29Å; H357-A359 PolarHBondContact O-N 3.06Å; A359-F361 HydrophobicContact CB-CD2 4.18Å; A359-F361 HydrophobicContact CB-CE2 4.41Å; A359-Y408 HydrophobicContact CB-CE1 3.76Å
360G96.2Very high97.5Very high29 Ų2913 Ų1330%0.2998%0.078SC..THydrogen-bonded Turntrans98.610.7174.700000114.8L356 H357 V358 R413L356-G360 PolarHBondContact O-N 2.86Å; H357-G360 PolarHBondContact O-N 2.88Å; H357-G360 VanDerWaalsContact O-N 3.1Å; V358-G360 PolarHBondContact O-N 2.98Å; G360-R413 VanDerWaalsContact C-NH1 3.31Å; G360-R413 PolarHBondContact O-NH1 2.81Å
361F97.1Very high97.5Very high7 Ų712.6 Ų12.63%0.0318%0.076CC..  trans-73.9135.8177.1-76.4-108.1000111.7S252 A331 V335 L356 A359 R413S252-F361 VanDerWaalsContact C-CD1 3.47Å; S252-F361 VanDerWaalsContact O-CA 3.26Å; S252-F361 WeakPolarHBondContact O-CA 3.42Å; A331-F361 HydrophobicContact CB-CE1 4.4Å; V335-F361 HydrophobicContact CG2-CE1 4.06Å; V335-F361 HydrophobicContact CG2-CZ 3.97Å; L356-F361 HydrophobicContact CB-CB 4.2Å; L356-F361 HydrophobicContact CB-CG 4.46Å; L356-F361 HydrophobicContact CD2-CB 4.15Å; L356-F361 HydrophobicContact CD2-CD1 3.81Å; L356-F361 HydrophobicContact CD2-CD2 3.53Å; L356-F361 HydrophobicContact CD2-CE1 4.05Å; L356-F361 HydrophobicContact CD2-CE2 3.78Å; L356-F361 HydrophobicContact CD2-CG 3.55Å; L356-F361 HydrophobicContact CD2-CZ 4.04Å; L356-F361 WeakPolarHBondContact O-CB 3.46Å; L356-F361 PolarHBondContact O-N 2.67Å; A359-F361 HydrophobicContact CB-CD2 4.18Å; A359-F361 HydrophobicContact CB-CE2 4.41Å; F361-R413 VanDerWaalsContact C-NH1 3.32Å; F361-R413 PolarHBondContact O-NH1 2.94Å
362D96.1Very high97.5Very high70 Ų7012.7 Ų12.737%0.3748%0.076SC..EExtended strand (participates in β ladder)trans-92152.4167.6-66-32.3000110.3S252 T253 A254 R413S252-D362 PolarHBondContact O-N 3.21Å; S252-D362 VanDerWaalsContact O-N 3.07Å; T253-D362 WeakPolarHBondContact CA-O 3.2Å; A254-D362 PolarHBondContact N-O 3.44Å; D362-R413 IonicContact OD1-CZ 3.35Å; D362-R413 VanDerWaalsContact OD1-CZ 3.25Å; D362-R413 IonicContact OD1-NH1 3.14Å; D362-R413 PolarHBondContact OD1-NH1 2.82Å; D362-R413 IonicContact OD1-NH2 2.67Å; D362-R413 PolarHBondContact OD1-NH2 3.08Å; D362-R413 IonicContact OD2-NH2 3.11Å
363F98.1Very high97.4Very high3 Ų313.2 Ų13.21%0.0138%0.079CC..EExtended strand (participates in β ladder)trans-115.4121.7-176.5-61.5-95.4000110A254 V256 V318 V319 W321 W325 P327 L356 H357A254-F363 HydrophobicContact CB-CD1 3.68Å; A254-F363 HydrophobicContact CB-CE1 3.92Å; A254-F363 HydrophobicContact CB-CG 4.43Å; A254-F363 WeakPolarHBondContact O-CA 3.5Å; V256-F363 HydrophobicContact CG2-CB 4.09Å; V256-F363 HydrophobicContact CG2-CD1 4.07Å; V318-F363 CarbonylContact C-O 3.57Å; V318-F363 WeakPolarHBondContact CA-O 3.33Å; V319-F363 PolarHBondContact N-O 3.13Å; W321-F363 HydrophobicContact CB-CD2 4.17Å; W321-F363 HydrophobicContact CB-CE2 3.86Å; W321-F363 AromaticContact CD1-CE2 3.98Å; W321-F363 AromaticContact CD1-CZ 3.97Å; W321-F363 HydrophobicContact CG-CE2 4.25Å; W325-F363 HydrophobicContact CE3-CD1 4.36Å; W325-F363 HydrophobicContact CE3-CG 4.48Å; W325-F363 HydrophobicContact CH2-CB 3.63Å; W325-F363 AromaticContact CH2-CD1 3.9Å; W325-F363 HydrophobicContact CH2-CD1 3.9Å; W325-F363 AromaticContact CH2-CG 3.86Å; W325-F363 HydrophobicContact CH2-CG 3.86Å; W325-F363 HydrophobicContact CZ3-CB 3.65Å; W325-F363 AromaticContact CZ3-CD1 3.52Å; W325-F363 HydrophobicContact CZ3-CD1 3.52Å; W325-F363 AromaticContact CZ3-CD2 3.92Å; W325-F363 HydrophobicContact CZ3-CD2 3.92Å; W325-F363 HydrophobicContact CZ3-CE1 4.1Å; W325-F363 HydrophobicContact CZ3-CE2 4.46Å; W325-F363 AromaticContact CZ3-CG 3.42Å; W325-F363 HydrophobicContact CZ3-CG 3.42Å; W325-F363 VanDerWaalsContact CZ3-CG 3.42Å; P327-F363 HydrophobicContact CG-CE1 4.41Å; L356-F363 HydrophobicContact CB-CE1 4.49Å; L356-F363 HydrophobicContact CB-CZ 3.97Å; L356-F363 HydrophobicContact CD1-CE1 4.5Å; H357-F363 HydrophobicContact CB-CE2 4.02Å; H357-F363 HydrophobicContact CB-CZ 4.38Å
364E97.9Very high96.9Very high45 Ų4520 Ų2021%0.2111%0.108CC..EExtended strand (participates in β ladder)trans-125.8125.7-179.7-60.1-171.8-145.600110.8T253 A254 L255 V256 P315 Y317 V318T253-E364 HydrophobicContact CG2-CB 4.17Å; T253-E364 HydrophobicContact CG2-CG 3.84Å; A254-E364 PolarHBondContact O-N 2.87Å; L255-E364 CarbonylContact C-O 3.47Å; L255-E364 WeakPolarHBondContact CA-O 3.23Å; V256-E364 PolarHBondContact N-O 2.78Å; P315-E364 HydrophobicContact CB-CB 3.9Å; P315-E364 WeakPolarHBondContact CB-OE2 3.15Å; P315-E364 WeakPolarHBondContact CG-OE2 2.99Å; Y317-E364 WeakPolarHBondContact O-CA 3.42Å; V318-E364 HydrophobicContact CG2-CG 4.02Å
365V98.6Very high96.5Very high0 Ų020.9 Ų20.90%012%0.118CC..EExtended strand (participates in β ladder)trans-84.1127.4-177.2-178.70000109.9V256 P258 T299 A316 Y317 V319V256-V365 HydrophobicContact CB-CG2 4.06Å; V256-V365 HydrophobicContact CG1-CG2 4.17Å; P258-V365 HydrophobicContact CG-CG1 3.56Å; T299-V365 HydrophobicContact CG2-CG1 4.49Å; A316-V365 WeakPolarHBondContact CB-O 3.45Å; A316-V365 PolarHBondContact N-O 3.18Å; Y317-V365 HydrophobicContact CD2-CB 4.19Å; Y317-V365 HydrophobicContact CD2-CG2 4.18Å; Y317-V365 HydrophobicContact CE1-CB 4.21Å; Y317-V365 HydrophobicContact CE1-CG1 4.31Å; Y317-V365 HydrophobicContact CE2-CB 3.74Å; Y317-V365 HydrophobicContact CE2-CG1 4.31Å; Y317-V365 HydrophobicContact CE2-CG2 3.6Å; Y317-V365 PolarHBondContact O-N 2.77Å; V319-V365 HydrophobicContact CG2-CG2 3.55Å
366L98.3Very high96Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-67.6145.9175.4-64.3176000111.6L240 M243 L255 V256 V257 W304 L313 R314L240-L366 HydrophobicContact CD2-CD1 3.98Å; M243-L366 HydrophobicContact CE-CD2 4.08Å; M243-L366 HydrophobicContact SD-CD2 4.24Å; L255-L366 HydrophobicContact CB-CD2 4.26Å; L255-L366 HydrophobicContact CB-CG 4.4Å; L255-L366 HydrophobicContact CD2-CD2 4.12Å; V256-L366 PolarHBondContact O-N 3.03Å; V257-L366 HydrophobicContact CG2-CD1 3.98Å; W304-L366 VanDerWaalsContact CD1-O 3.24Å; W304-L366 PolarHBondContact NE1-O 3.12Å; L313-L366 HydrophobicContact CD1-CB 4.17Å; L313-L366 HydrophobicContact CD1-CD1 4.31Å; L313-L366 HydrophobicContact CD2-CD1 4.32Å; L313-L366 HydrophobicContact CG-CD2 4.39Å; R314-L366 WeakPolarHBondContact O-CA 3.43Å
367N97.4Very high95.3Very high1 Ų123.6 Ų23.61%0.00513%0.129CC..SBendtrans-73.5-38.7-176.761.8-23.8000114.9K272 W304 L307 L312 R314 A316K272-N367 WeakPolarHBondContact CE-O 3.41Å; K272-N367 PolarHBondContact NZ-O 3.23Å; W304-N367 PolarHBondContact NE1-O 3.14Å; L307-N367 HydrophobicContact CD1-CB 4.21Å; L312-N367 PolarHBondContact O-ND2 3.14Å; R314-N367 PolarHBondContact N-OD1 2.81Å; R314-N367 PolarHBondContact O-N 3.41Å; R314-N367 PolarHBondContact O-OD1 3.42Å; A316-N367 HydrophobicContact CB-CB 3.94Å
368E95.6Very high94.3Very high30 Ų3026.2 Ų26.214%0.1414%0.142CC..SBendtrans-120.2-35.5-169.1-68-58.4131.300114.3K272 E310 L313 F370K272-E368 WeakPolarHBondContact CB-OE2 3.48Å; K272-E368 VanDerWaalsContact CD-CD 3.48Å; K272-E368 VanDerWaalsContact CD-OE1 3.3Å; K272-E368 WeakPolarHBondContact CD-OE1 3.47Å; K272-E368 WeakPolarHBondContact CD-OE2 3.25Å; K272-E368 IonicContact NZ-OE1 3.7Å; K272-E368 PolarHBondContact NZ-OE1 2.85Å; E310-E368 PolarHBondContact N-OE1 3.37Å; E310-E368 VanDerWaalsContact O-CG 3.32Å; E310-E368 WeakPolarHBondContact O-CG 3.37Å; L313-E368 HydrophobicContact CD1-CB 4.19Å; E368-F370 WeakPolarHBondContact O-CD1 3.15Å
369G96.7Very high92.7Very high2 Ų229.2 Ų29.22%0.02117%0.167CC..  trans-67.3137.8-177.900000113.3P258P258-G369 WeakPolarHBondContact CD-O 3.34Å
370F98.4Very high90.8Very high1 Ų135.8 Ų35.80%0.00420%0.196CC..  trans-148.5166.4175.962.7-91.4000112.9S233 P258 F260 P269 L275 W304 E368 V372S233-F370 PolarHBondContact N-O 3.43Å; S233-F370 PolarHBondContact OG-N 3.36Å; P258-F370 CarbonylContact O-C 3.59Å; P258-F370 VanDerWaalsContact O-CA 3.25Å; P258-F370 WeakPolarHBondContact O-CA 3.33Å; P258-F370 WeakPolarHBondContact O-CB 3.42Å; F260-F370 HydrophobicContact CD2-CB 4.18Å; F260-F370 HydrophobicContact CE2-CB 4.08Å; P269-F370 HydrophobicContact CB-CZ 4.42Å; P269-F370 HydrophobicContact CG-CE2 4.16Å; P269-F370 HydrophobicContact CG-CZ 4.45Å; L275-F370 HydrophobicContact CB-CE1 4.26Å; L275-F370 HydrophobicContact CB-CE2 4.37Å; L275-F370 HydrophobicContact CB-CZ 4.05Å; L275-F370 HydrophobicContact CD1-CD2 4.1Å; L275-F370 HydrophobicContact CD1-CE2 3.93Å; L275-F370 HydrophobicContact CD1-CZ 4.46Å; L275-F370 HydrophobicContact CD2-CB 4.22Å; L275-F370 HydrophobicContact CD2-CD1 3.85Å; L275-F370 HydrophobicContact CD2-CD2 3.83Å; L275-F370 HydrophobicContact CD2-CE1 4.17Å; L275-F370 HydrophobicContact CD2-CE2 4.14Å; L275-F370 HydrophobicContact CD2-CG 3.69Å; L275-F370 HydrophobicContact CD2-CZ 4.3Å; L275-F370 HydrophobicContact CG-CD2 4.49Å; L275-F370 HydrophobicContact CG-CE2 4.39Å; W304-F370 HydrophobicContact CH2-CB 4.04Å; W304-F370 AromaticContact CH2-CD1 3.98Å; W304-F370 HydrophobicContact CH2-CD1 3.98Å; W304-F370 HydrophobicContact CH2-CG 4.32Å; W304-F370 HydrophobicContact CZ2-CB 4.23Å; W304-F370 HydrophobicContact CZ2-CD1 4.46Å; E368-F370 WeakPolarHBondContact O-CD1 3.15Å; F370-V372 HydrophobicContact CD2-CG2 3.44Å; F370-V372 VanDerWaalsContact CD2-CG2 3.44Å; F370-V372 HydrophobicContact CE2-CG2 3.42Å; F370-V372 VanDerWaalsContact CE2-CG2 3.42Å
371L98.4Very high89.1Confident0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-117.5147.4169.6-58.5174.3000110.3I226 M230 V231 P232 V257 P258 A259 F260 F328I226-L371 HydrophobicContact CB-CD1 4.49Å; I226-L371 HydrophobicContact CG2-CD1 3.56Å; I226-L371 HydrophobicContact CG2-CD2 4.15Å; M230-L371 HydrophobicContact CE-CB 3.7Å; M230-L371 HydrophobicContact CE-CD1 4.35Å; V231-L371 CarbonylContact O-C 3.56Å; V231-L371 WeakPolarHBondContact O-CA 3.36Å; P232-L371 HydrophobicContact CB-CD2 3.86Å; V257-L371 HydrophobicContact CG1-CD2 4.45Å; V257-L371 HydrophobicContact CG1-CG 3.87Å; P258-L371 PolarHBondContact O-N 3Å; A259-L371 CarbonylContact C-O 3.54Å; A259-L371 WeakPolarHBondContact CA-O 3.29Å; A259-L371 HydrophobicContact CB-CB 4.32Å; F260-L371 PolarHBondContact N-O 3.27Å; F328-L371 HydrophobicContact CB-CD1 3.6Å; F328-L371 HydrophobicContact CD1-CD1 3.49Å; F328-L371 VanDerWaalsContact CD1-CD1 3.49Å; F328-L371 HydrophobicContact CD2-CD1 4.22Å; F328-L371 HydrophobicContact CE1-CD1 4.19Å; F328-L371 HydrophobicContact CG-CD1 3.51Å
372V97Very high87.4Confident2 Ų242.4 Ų42.41%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-131.8126.9174.8-169.90000111.2V231 F260 I262 M268 P269 L275 F370V231-V372 PolarHBondContact N-O 2.97Å; V231-V372 PolarHBondContact O-N 3.34Å; F260-V372 CarbonylContact O-C 3.53Å; F260-V372 WeakPolarHBondContact O-CA 3.41Å; I262-V372 HydrophobicContact CB-CG1 3.83Å; I262-V372 HydrophobicContact CG2-CG1 3.6Å; M268-V372 HydrophobicContact CE-CB 3.56Å; M268-V372 HydrophobicContact CE-CG1 3.59Å; M268-V372 VanDerWaalsContact CE-O 3.28Å; M268-V372 WeakPolarHBondContact CE-O 3.41Å; M268-V372 HydrophobicContact SD-CG1 4.4Å; P269-V372 HydrophobicContact CG-CG2 4.11Å; L275-V372 HydrophobicContact CD1-CG2 3.84Å; F370-V372 HydrophobicContact CD2-CG2 3.44Å; F370-V372 VanDerWaalsContact CD2-CG2 3.44Å; F370-V372 HydrophobicContact CE2-CG2 3.42Å; F370-V372 VanDerWaalsContact CE2-CG2 3.42Å
373H94.7Very high86Confident14 Ų1439.5 Ų39.57%0.06520%0.2CC..EExtended strand (participates in β ladder)trans-86.1133.9167.6179.6-96.7000111.3D229 M230 F260 E261 I262 F287 G375 K377D229-H373 VanDerWaalsContact CG-CD2 3.41Å; D229-H373 IonicContact OD1-CD2 2.64Å; D229-H373 IonicContact OD2-CD2 3.79Å; D229-H373 PolarHBondContact OD2-CD2 3.33Å; D229-H373 VanDerWaalsContact OD2-CD2 3.27Å; D229-H373 IonicContact OD2-NE2 3.73Å; D229-H373 PolarHBondContact OD2-NE2 3.28Å; M230-H373 HydrophobicContact CE-CB 4.36Å; M230-H373 HydrophobicContact SD-CB 3.58Å; M230-H373 VanDerWaalsContact SD-CB 3.58Å; F260-H373 PolarHBondContact O-N 2.82Å; E261-H373 WeakPolarHBondContact CA-O 3.36Å; E261-H373 HydrophobicContact CB-CB 4.29Å; I262-H373 WeakPolarHBondContact CG2-O 3.38Å; I262-H373 PolarHBondContact N-O 2.96Å; F287-H373 HydrophobicContact CD2-CB 4.03Å; F287-H373 HydrophobicContact CE2-CB 3.74Å; H373-G375 PolarHBondContact CE1-O 3.4Å; H373-G375 VanDerWaalsContact CE1-O 3.31Å; H373-G375 PolarHBondContact ND1-O 3.14Å; H373-G375 PolarHBondContact O-N 3.29Å; H373-K377 VanDerWaalsContact CD2-CE 3.45Å; H373-K377 WeakPolarHBondContact CD2-CE 3.37Å; H373-K377 PolarHBondContact CD2-NZ 3.15Å; H373-K377 WeakPolarHBondContact CE1-CE 3.32Å; H373-K377 PolarHBondContact CE1-NZ 3.26Å; H373-K377 WeakPolarHBondContact NE2-CE 3.25Å; H373-K377 PolarHBondContact NE2-NZ 2.97Å
374K89.1Confident84.7Confident143 Ų14345 Ų4562%0.62224%0.237SC*.EExtended strand (participates in β ladder)trans-79.5117.6176-172.2177.4-178.8178.10111.6M268M268-K374 HydrophobicContact SD-CB 4.48Å
375G88.5Confident83.7Confident19 Ų1949 Ų4920%0.19626%0.255CS..SBendtrans91.3152.5-177.400000111.7I262 H373I262-G375 CarbonylContact O-C 3.43Å; I262-G375 WeakPolarHBondContact O-CA 3.37Å; I262-G375 PolarHBondContact O-N 3.48Å; H373-G375 PolarHBondContact CE1-O 3.4Å; H373-G375 VanDerWaalsContact CE1-O 3.31Å; H373-G375 PolarHBondContact ND1-O 3.14Å; H373-G375 PolarHBondContact O-N 3.29Å
376F88.9Confident82.9Confident27 Ų2750 Ų5012%0.11826%0.26CS..  trans-77.1129.8172.9-69.9-9.8000110.7E261 R263 R285 E378 K381E261-F376 HydrophobicContact CB-CD1 4.12Å; E261-F376 HydrophobicContact CG-CD1 3.72Å; E261-F376 HydrophobicContact CG-CE1 4.11Å; E261-F376 WeakPolarHBondContact O-CE1 3.5Å; E261-F376 WeakPolarHBondContact OE2-CA 3.3Å; R263-F376 HydrophobicContact CB-CD1 4.21Å; R263-F376 HydrophobicContact CB-CD2 4.2Å; R263-F376 HydrophobicContact CB-CE1 3.76Å; R263-F376 HydrophobicContact CB-CE2 3.74Å; R263-F376 HydrophobicContact CB-CG 4.44Å; R263-F376 HydrophobicContact CB-CZ 3.51Å; R263-F376 HydrophobicContact CG-CD2 4.02Å; R263-F376 HydrophobicContact CG-CE2 3.8Å; R263-F376 HydrophobicContact CG-CZ 4.13Å; R285-F376 HydrophobicContact CG-CD1 4.45Å; R285-F376 HydrophobicContact CG-CE1 3.92Å; R285-F376 HydrophobicContact CG-CZ 4.09Å; F376-E378 HydrophobicContact CB-CG 4.29Å; F376-K381 PolarHBondContact O-NZ 3.48Å
377K81.6Confident82Confident32 Ų3255.4 Ų55.414%0.13929%0.285CS..  trans-74.3120.8168.8-60.9-73-159.8-164.10107.6D229 E261 F287 Y288 L291 H373D229-K377 IonicContact OD2-NZ 3.74Å; D229-K377 PolarHBondContact OD2-NZ 3.09Å; E261-K377 PolarHBondContact OE2-N 2.87Å; F287-K377 HydrophobicContact CE2-CG 4.26Å; Y288-K377 HydrophobicContact CD1-CB 4.29Å; Y288-K377 HydrophobicContact CD1-CG 4.27Å; Y288-K377 HydrophobicContact CE1-CB 4.45Å; Y288-K377 HydrophobicContact CE1-CG 4.12Å; L291-K377 HydrophobicContact CD1-CB 3.56Å; L291-K377 HydrophobicContact CG-CB 4.39Å; H373-K377 VanDerWaalsContact CD2-CE 3.45Å; H373-K377 WeakPolarHBondContact CD2-CE 3.37Å; H373-K377 PolarHBondContact CD2-NZ 3.15Å; H373-K377 WeakPolarHBondContact CE1-CE 3.32Å; H373-K377 PolarHBondContact CE1-NZ 3.26Å; H373-K377 WeakPolarHBondContact NE2-CE 3.25Å; H373-K377 PolarHBondContact NE2-NZ 2.97Å
378E76.8Confident81.3Confident86 Ų8658.7 Ų58.740%0.40231%0.312SS..  trans-133.5148.5-172.9-69.8171.1157.900110.2F376 L380 K381 F382F376-E378 HydrophobicContact CB-CG 4.29Å; E378-L380 PolarHBondContact O-N 3.22Å; E378-K381 HydrophobicContact CB-CD 4.42Å; E378-K381 PolarHBondContact O-N 2.93Å; E378-K381 WeakPolarHBondContact OE2-CE 3.4Å; E378-K381 IonicContact OE2-NZ 3.09Å; E378-K381 PolarHBondContact OE2-NZ 3.08Å; E378-F382 WeakPolarHBondContact O-CE2 3.26Å
379A63.9Low80.8Confident66 Ų6658.5 Ų58.555%0.54531%0.311SS..G310 helixtrans-63.3-26.2-170.400000114.3L291 K381 F382L291-A379 HydrophobicContact CD2-CB 4.08Å; A379-K381 VanDerWaalsContact C-N 3.25Å; A379-K381 PolarHBondContact O-N 3.28Å; A379-F382 WeakPolarHBondContact O-CD2 3.45Å
380L56.7Low80.4Confident175 Ų17560.9 Ų60.992%0.91632%0.324SS*.G310 helixtrans-79.5-1.5-177.4-65.6170.2000114.1E378E378-L380 PolarHBondContact O-N 3.22Å
381K60.6Low80Confident120 Ų12065.4 Ų65.452%0.52235%0.345SS..G310 helixtrans-102.79.9-174.6-65.9176.4176.9149.30114.1F376 E378 A379F376-K381 PolarHBondContact O-NZ 3.48Å; E378-K381 HydrophobicContact CB-CD 4.42Å; E378-K381 PolarHBondContact O-N 2.93Å; E378-K381 WeakPolarHBondContact OE2-CE 3.4Å; E378-K381 IonicContact OE2-NZ 3.09Å; E378-K381 PolarHBondContact OE2-NZ 3.08Å; A379-K381 VanDerWaalsContact C-N 3.25Å; A379-K381 PolarHBondContact O-N 3.28Å
382F62.9Low79.7Confident54 Ų5471.4 Ų71.424%0.23737%0.372CS..SBendtrans-98158-177.6-67.2-78.7000112.8L291 Y345 E378 A379 K386L291-F382 HydrophobicContact CD1-CE2 3.81Å; L291-F382 HydrophobicContact CD1-CZ 3.59Å; L291-F382 HydrophobicContact CD2-CE2 3.78Å; L291-F382 HydrophobicContact CD2-CZ 4.4Å; L291-F382 HydrophobicContact CG-CE2 4.49Å; Y345-F382 HydrophobicContact CD2-CD1 4.43Å; Y345-F382 HydrophobicContact CD2-CE1 4.12Å; Y345-F382 HydrophobicContact CE2-CD1 4.27Å; Y345-F382 AromaticContact CE2-CE1 3.65Å; Y345-F382 HydrophobicContact CE2-CE1 3.65Å; Y345-F382 HydrophobicContact CE2-CZ 4.1Å; E378-F382 WeakPolarHBondContact O-CE2 3.26Å; A379-F382 WeakPolarHBondContact O-CD2 3.45Å; F382-K386 HydrophobicContact CB-CB 4.15Å; F382-K386 HydrophobicContact CB-CD 3.63Å; F382-K386 HydrophobicContact CB-CG 4.04Å; F382-K386 HydrophobicContact CD1-CD 4.02Å; F382-K386 HydrophobicContact CD1-CG 4.17Å; F382-K386 HydrophobicContact CD2-CD 4.06Å; F382-K386 VanDerWaalsContact CE2-NZ 3.34Å; F382-K386 HydrophobicContact CG-CD 3.63Å; F382-K386 HydrophobicContact CG-CG 4.18Å
383H65.4Low79.6Confident9 Ų971.4 Ų71.44%0.04237%0.373CS..  trans-73.1158.3176.566.749.3000112.4I197 N198 Y199 A200 Q385 K386 E389I197-H383 HydrophobicContact CG2-CB 3.72Å; N198-H383 PolarHBondContact O-CD2 3.06Å; N198-H383 VanDerWaalsContact O-CD2 3.26Å; Y199-H383 VanDerWaalsContact C-CD2 3.44Å; A200-H383 HydrophobicContact CB-CB 3.83Å; H383-Q385 PolarHBondContact ND1-N 2.77Å; H383-Q385 PolarHBondContact O-N 2.85Å; H383-Q385 VanDerWaalsContact O-N 3.1Å; H383-K386 VanDerWaalsContact CE1-CA 3.42Å; H383-K386 WeakPolarHBondContact CE1-CA 3.34Å; H383-K386 PolarHBondContact CE1-N 3.23Å; H383-K386 PolarHBondContact ND1-N 3.28Å; H383-K386 VanDerWaalsContact ND1-N 3.1Å; H383-K386 VanDerWaalsContact O-CB 3.26Å; H383-K386 WeakPolarHBondContact O-CB 3.49Å; H383-K386 PolarHBondContact O-N 3.34Å; H383-E389 VanDerWaalsContact CE1-CD 3.43Å; H383-E389 IonicContact CE1-OE1 3.39Å; H383-E389 IonicContact CE1-OE2 2.74Å; H383-E389 PolarHBondContact CE1-OE2 3.04Å; H383-E389 IonicContact NE2-OE1 3.61Å; H383-E389 IonicContact NE2-OE2 3.69Å; H383-E389 PolarHBondContact NE2-OE2 2.75Å
384P72.4Confident79.7Confident120 Ų12074.5 Ų74.578%0.77939%0.386SS*.THydrogen-bonded Turntrans-61.1-24.8-173.8-25.435.1000115.9K386P384-K386 VanDerWaalsContact C-N 3.33Å
385Q76.9Confident80Confident128 Ų12872.1 Ų72.160%0.59838%0.379SS*.THydrogen-bonded Turntrans-85.6-2.9-176.7-65.3-178.4-3.600114H383 E387 A388 E389H383-Q385 PolarHBondContact ND1-N 2.77Å; H383-Q385 PolarHBondContact O-N 2.85Å; H383-Q385 VanDerWaalsContact O-N 3.1Å; Q385-E387 VanDerWaalsContact C-N 3.33Å; Q385-E387 PolarHBondContact O-N 2.94Å; Q385-A388 WeakPolarHBondContact O-CB 3.24Å; Q385-A388 PolarHBondContact O-N 3Å; Q385-A388 VanDerWaalsContact O-N 3.09Å; Q385-E389 WeakPolarHBondContact O-CG 3.48Å; Q385-E389 PolarHBondContact O-N 2.73Å
386K80.1Confident80.5Confident20 Ų2072 Ų729%0.08737%0.374CS..Hα-helixtrans-62.1-39.9-166.9179.2-128.5-175.4170.30112Y345 F382 H383 P384 N390Y345-K386 HydrophobicContact CD1-CD 4.23Å; Y345-K386 HydrophobicContact CD1-CG 3.63Å; Y345-K386 HydrophobicContact CD2-CG 4.1Å; Y345-K386 HydrophobicContact CE1-CD 4.14Å; Y345-K386 HydrophobicContact CE1-CG 4.06Å; Y345-K386 HydrophobicContact CE2-CG 4.48Å; Y345-K386 HydrophobicContact CG-CG 3.64Å; Y345-K386 WeakPolarHBondContact OH-CE 3.36Å; F382-K386 HydrophobicContact CB-CB 4.15Å; F382-K386 HydrophobicContact CB-CD 3.63Å; F382-K386 HydrophobicContact CB-CG 4.04Å; F382-K386 HydrophobicContact CD1-CD 4.02Å; F382-K386 HydrophobicContact CD1-CG 4.17Å; F382-K386 HydrophobicContact CD2-CD 4.06Å; F382-K386 VanDerWaalsContact CE2-NZ 3.34Å; F382-K386 HydrophobicContact CG-CD 3.63Å; F382-K386 HydrophobicContact CG-CG 4.18Å; H383-K386 VanDerWaalsContact CE1-CA 3.42Å; H383-K386 WeakPolarHBondContact CE1-CA 3.34Å; H383-K386 PolarHBondContact CE1-N 3.23Å; H383-K386 PolarHBondContact ND1-N 3.28Å; H383-K386 VanDerWaalsContact ND1-N 3.1Å; H383-K386 VanDerWaalsContact O-CB 3.26Å; H383-K386 WeakPolarHBondContact O-CB 3.49Å; H383-K386 PolarHBondContact O-N 3.34Å; P384-K386 VanDerWaalsContact C-N 3.33Å; K386-N390 VanDerWaalsContact O-CB 3.27Å; K386-N390 WeakPolarHBondContact O-CB 3.38Å; K386-N390 PolarHBondContact O-N 3.48Å
387E80.8Confident80.9Confident115 Ų11571.1 Ų71.154%0.53737%0.37SS..Hα-helixtrans-65.7-39.7178.4-72.365.9-147.200111.8Q385 Q391Q385-E387 VanDerWaalsContact C-N 3.33Å; Q385-E387 PolarHBondContact O-N 2.94Å; E387-Q391 WeakPolarHBondContact O-CB 3.43Å; E387-Q391 PolarHBondContact O-N 3.49Å
388A82.4Confident81.6Confident69 Ų6976.3 Ų76.357%0.5739%0.388SS*.Hα-helixtrans-68-44.1178.100000111.4Q385 Q391 H392Q385-A388 WeakPolarHBondContact O-CB 3.24Å; Q385-A388 PolarHBondContact O-N 3Å; Q385-A388 VanDerWaalsContact O-N 3.09Å; A388-Q391 PolarHBondContact O-N 3.37Å; A388-H392 PolarHBondContact O-N 3.11Å
389E85.1Confident82.6Confident26 Ų2677.1 Ų77.112%0.12139%0.392CS..Hα-helixtrans-60.6-47.1174-67.7173168.200111.6Q344 H383 Q385 Q391 H392 N393Q344-E389 HydrophobicContact CB-CB 4.33Å; Q344-E389 HydrophobicContact CB-CG 4.06Å; Q344-E389 WeakPolarHBondContact CB-OE2 3.42Å; Q344-E389 HydrophobicContact CG-CG 4.47Å; Q344-E389 WeakPolarHBondContact CG-OE1 3.38Å; Q344-E389 PolarHBondContact NE2-OE1 3.39Å; H383-E389 VanDerWaalsContact CE1-CD 3.43Å; H383-E389 IonicContact CE1-OE1 3.39Å; H383-E389 IonicContact CE1-OE2 2.74Å; H383-E389 PolarHBondContact CE1-OE2 3.04Å; H383-E389 IonicContact NE2-OE1 3.61Å; H383-E389 IonicContact NE2-OE2 3.69Å; H383-E389 PolarHBondContact NE2-OE2 2.75Å; Q385-E389 WeakPolarHBondContact O-CG 3.48Å; Q385-E389 PolarHBondContact O-N 2.73Å; E389-Q391 VanDerWaalsContact C-N 3.28Å; E389-Q391 PolarHBondContact O-N 2.89Å; E389-H392 WeakPolarHBondContact O-CB 2.99Å; E389-H392 PolarHBondContact O-N 3.28Å; E389-N393 WeakPolarHBondContact O-CB 3.49Å; E389-N393 PolarHBondContact O-N 3.29Å
390N87Confident84.2Confident53 Ų5374.2 Ų74.228%0.28337%0.367SS..Hα-helixtrans-59.6-41177.3-169.950.4000111.6Y345 G346 K386 N393 K394Y345-N390 HydrophobicContact CD1-CB 3.93Å; Y345-N390 HydrophobicContact CE1-CB 4.29Å; G346-N390 WeakPolarHBondContact CA-OD1 3.34Å; K386-N390 VanDerWaalsContact O-CB 3.27Å; K386-N390 WeakPolarHBondContact O-CB 3.38Å; K386-N390 PolarHBondContact O-N 3.48Å; N390-N393 PolarHBondContact O-N 3.43Å; N390-K394 VanDerWaalsContact O-CB 3.29Å; N390-K394 WeakPolarHBondContact O-CB 3.42Å; N390-K394 PolarHBondContact O-N 3.3Å
391Q90.1Very high86.1Confident96 Ų9668.2 Ų68.245%0.44933%0.334SS..Hα-helixtrans-68.5-40.2178.7-178.161.71300111.8E387 A388 E389 K394 I395E387-Q391 WeakPolarHBondContact O-CB 3.43Å; E387-Q391 PolarHBondContact O-N 3.49Å; A388-Q391 PolarHBondContact O-N 3.37Å; E389-Q391 VanDerWaalsContact C-N 3.28Å; E389-Q391 PolarHBondContact O-N 2.89Å; Q391-K394 WeakPolarHBondContact O-CB 3.24Å; Q391-K394 PolarHBondContact O-N 2.89Å; Q391-I395 WeakPolarHBondContact O-CG1 3.29Å; Q391-I395 PolarHBondContact O-N 3.12Å
392H93.2Very high87.8Confident125 Ų12568 Ų6858%0.57934%0.335SS*.Hα-helixtrans-59.1-52.2172.617983.5000110.8A388 E389 K394 I395 L396A388-H392 PolarHBondContact O-N 3.11Å; E389-H392 WeakPolarHBondContact O-CB 2.99Å; E389-H392 PolarHBondContact O-N 3.28Å; H392-K394 VanDerWaalsContact C-N 3.27Å; H392-K394 PolarHBondContact O-N 3.39Å; H392-I395 WeakPolarHBondContact O-CB 3.49Å; H392-I395 PolarHBondContact O-N 3.1Å; H392-L396 PolarHBondContact O-N 3.03Å
393N95.7Very high89.5Confident3 Ų368.7 Ų68.72%0.01634%0.339CS..Hα-helixtrans-63.5-30.9179-78-22.1000112.7F342 R343 Y345 G346 F347 E389 N390 L396 Y397F342-N393 HydrophobicContact CD1-CB 4.16Å; R343-N393 PolarHBondContact O-ND2 2.93Å; Y345-N393 PolarHBondContact O-ND2 2.82Å; G346-N393 WeakPolarHBondContact O-CB 2.96Å; G346-N393 PolarHBondContact O-ND2 2.04Å; G346-N393 VanDerWaalsContact O-ND2 3.11Å; F347-N393 HydrophobicContact CB-CB 4.24Å; F347-N393 HydrophobicContact CD2-CB 4.2Å; E389-N393 WeakPolarHBondContact O-CB 3.49Å; E389-N393 PolarHBondContact O-N 3.29Å; N390-N393 PolarHBondContact O-N 3.43Å; N393-L396 PolarHBondContact O-N 3.06Å; N393-Y397 VanDerWaalsContact O-CB 3.3Å; N393-Y397 WeakPolarHBondContact O-CB 3.49Å; N393-Y397 PolarHBondContact O-N 3.39Å
394K95Very high91Very high79 Ų7968.5 Ų68.534%0.34334%0.338SS..Hα-helixtrans-64.5-39.4172.5-172.8174.2-178.5175.30112.6F347 N390 Q391 H392 R398F347-K394 HydrophobicContact CD2-CB 4.04Å; F347-K394 HydrophobicContact CE1-CG 4.49Å; F347-K394 HydrophobicContact CE2-CB 3.49Å; F347-K394 VanDerWaalsContact CE2-CB 3.49Å; F347-K394 HydrophobicContact CE2-CD 4.36Å; F347-K394 HydrophobicContact CE2-CG 3.89Å; F347-K394 HydrophobicContact CZ-CB 3.89Å; F347-K394 HydrophobicContact CZ-CD 4.19Å; F347-K394 HydrophobicContact CZ-CG 3.74Å; N390-K394 VanDerWaalsContact O-CB 3.29Å; N390-K394 WeakPolarHBondContact O-CB 3.42Å; N390-K394 PolarHBondContact O-N 3.3Å; Q391-K394 WeakPolarHBondContact O-CB 3.24Å; Q391-K394 PolarHBondContact O-N 2.89Å; H392-K394 VanDerWaalsContact C-N 3.27Å; H392-K394 PolarHBondContact O-N 3.39Å; K394-R398 WeakPolarHBondContact O-CG 3.44Å; K394-R398 PolarHBondContact O-N 3.47Å
395I96.8Very high92.1Very high92 Ų9267 Ų6747%0.47232%0.319SS..Hα-helixtrans-68.3-47.6176.4-66.3165.4000109.3Q391 H392 Y397 R398 Q399Q391-I395 WeakPolarHBondContact O-CG1 3.29Å; Q391-I395 PolarHBondContact O-N 3.12Å; H392-I395 WeakPolarHBondContact O-CB 3.49Å; H392-I395 PolarHBondContact O-N 3.1Å; I395-Y397 VanDerWaalsContact C-N 3.27Å; I395-Y397 PolarHBondContact O-N 3.3Å; I395-R398 WeakPolarHBondContact O-CB 3.49Å; I395-R398 PolarHBondContact O-N 3.14Å; I395-R398 VanDerWaalsContact O-N 3.11Å; I395-Q399 PolarHBondContact O-N 3.44Å
396L97.4Very high93Very high18 Ų1864.7 Ų64.79%0.09432%0.322CS..Hα-helixtrans-57.1-41.4175.4-179.561.6000111.6R341 F342 H392 N393 R398 Q399 F400R341-L396 HydrophobicContact CB-CD1 4.39Å; R341-L396 HydrophobicContact CB-CD2 3.66Å; F342-L396 HydrophobicContact CD1-CD2 3.8Å; F342-L396 HydrophobicContact CD1-CG 4.3Å; F342-L396 HydrophobicContact CD2-CD2 4.12Å; F342-L396 HydrophobicContact CE1-CB 4.08Å; F342-L396 HydrophobicContact CE1-CD2 3.84Å; F342-L396 HydrophobicContact CE1-CG 3.82Å; F342-L396 HydrophobicContact CE2-CD2 4.17Å; F342-L396 HydrophobicContact CE2-CG 4.23Å; F342-L396 HydrophobicContact CG-CD2 3.94Å; F342-L396 HydrophobicContact CZ-CB 4.41Å; F342-L396 HydrophobicContact CZ-CD2 4.03Å; F342-L396 HydrophobicContact CZ-CG 3.78Å; H392-L396 PolarHBondContact O-N 3.03Å; N393-L396 PolarHBondContact O-N 3.06Å; L396-R398 VanDerWaalsContact C-N 3.31Å; L396-R398 PolarHBondContact O-N 3.38Å; L396-Q399 WeakPolarHBondContact O-CB 3.26Å; L396-Q399 PolarHBondContact O-N 3.21Å; L396-Q399 VanDerWaalsContact O-N 3.13Å; L396-F400 WeakPolarHBondContact O-CB 3.46Å; L396-F400 PolarHBondContact O-N 2.89Å
397Y97.6Very high93.8Very high7 Ų769.3 Ų69.33%0.02734%0.342CS..Hα-helixtrans-60.1-39.1177-176.2-127.8000112.7D323 F342 F347 I350 C354 N393 I395 Q399 F400 K401D323-Y397 WeakPolarHBondContact OD1-CE1 3.46Å; D323-Y397 PolarHBondContact OD1-OH 3.16Å; F342-Y397 HydrophobicContact CZ-CD2 4.38Å; F347-Y397 HydrophobicContact CB-CG 4.41Å; F347-Y397 AromaticContact CD1-CD1 3.39Å; F347-Y397 HydrophobicContact CD1-CD1 3.39Å; F347-Y397 HydrophobicContact CD1-CD2 4.49Å; F347-Y397 HydrophobicContact CD1-CE1 4.01Å; F347-Y397 AromaticContact CD1-CG 3.67Å; F347-Y397 HydrophobicContact CD1-CG 3.67Å; F347-Y397 AromaticContact CE1-CD1 3.68Å; F347-Y397 HydrophobicContact CE1-CD1 3.68Å; F347-Y397 HydrophobicContact CE1-CE1 4.2Å; F347-Y397 HydrophobicContact CE1-CG 4.37Å; F347-Y397 HydrophobicContact CG-CD1 4.42Å; F347-Y397 HydrophobicContact CG-CG 4.32Å; I350-Y397 HydrophobicContact CG2-CE1 4.31Å; I350-Y397 HydrophobicContact CG2-CE2 4.47Å; C354-Y397 HydrophobicContact CB-CE2 4.19Å; N393-Y397 VanDerWaalsContact O-CB 3.3Å; N393-Y397 WeakPolarHBondContact O-CB 3.49Å; N393-Y397 PolarHBondContact O-N 3.39Å; I395-Y397 VanDerWaalsContact C-N 3.27Å; I395-Y397 PolarHBondContact O-N 3.3Å; Y397-Q399 VanDerWaalsContact C-N 3.33Å; Y397-Q399 PolarHBondContact O-N 3.16Å; Y397-F400 HydrophobicContact CD2-CD1 4.06Å; Y397-F400 HydrophobicContact CE2-CD1 4.22Å; Y397-F400 WeakPolarHBondContact O-CB 3.28Å; Y397-F400 PolarHBondContact O-N 2.79Å; Y397-K401 HydrophobicContact CD2-CG 4.3Å; Y397-K401 HydrophobicContact CE1-CD 4.03Å; Y397-K401 HydrophobicContact CE1-CG 4.49Å; Y397-K401 HydrophobicContact CE2-CD 4.21Å; Y397-K401 HydrophobicContact CE2-CG 3.94Å; Y397-K401 WeakPolarHBondContact O-CG 3.17Å; Y397-K401 PolarHBondContact O-N 2.86Å
398R96.6Very high94.6Very high141 Ų14166.3 Ų66.353%0.53233%0.326SS..Hα-helixtrans-63.5-40.3175.8-68.7169.3177167.1-4.3112.1K394 I395 L396K394-R398 WeakPolarHBondContact O-CG 3.44Å; K394-R398 PolarHBondContact O-N 3.47Å; I395-R398 WeakPolarHBondContact O-CB 3.49Å; I395-R398 PolarHBondContact O-N 3.14Å; I395-R398 VanDerWaalsContact O-N 3.11Å; L396-R398 VanDerWaalsContact C-N 3.31Å; L396-R398 PolarHBondContact O-N 3.38Å
399Q97.5Very high95.3Very high103 Ų10367 Ų6748%0.48133%0.325SS..Hα-helixtrans-65.8-49.2175.3177179.4-14.700110.7I395 L396 Y397 K401 Q402 E403I395-Q399 PolarHBondContact O-N 3.44Å; L396-Q399 WeakPolarHBondContact O-CB 3.26Å; L396-Q399 PolarHBondContact O-N 3.21Å; L396-Q399 VanDerWaalsContact O-N 3.13Å; Y397-Q399 VanDerWaalsContact C-N 3.33Å; Y397-Q399 PolarHBondContact O-N 3.16Å; Q399-K401 VanDerWaalsContact C-N 3.27Å; Q399-K401 PolarHBondContact O-N 3.19Å; Q399-Q402 WeakPolarHBondContact O-CA 3.05Å; Q399-Q402 WeakPolarHBondContact O-CB 3.46Å; Q399-Q402 PolarHBondContact O-N 2.99Å; Q399-E403 HydrophobicContact CG-CG 4.41Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.45Å; Q399-E403 PolarHBondContact NE2-OE1 3.18Å; Q399-E403 PolarHBondContact O-N 3.08Å
400F98Very high95.8Very high6 Ų673.2 Ų73.23%0.02636%0.359CS..Hα-helixtrans-51.5-44.4177.1176.9-103000112.1D339 F342 S351 E355 L396 Y397 Q402 E403 L404D339-F400 HydrophobicContact CB-CD2 4.45Å; D339-F400 HydrophobicContact CB-CE2 3.98Å; D339-F400 WeakPolarHBondContact OD2-CD2 3.42Å; D339-F400 WeakPolarHBondContact OD2-CE2 3.4Å; F342-F400 HydrophobicContact CE2-CB 4.28Å; F342-F400 HydrophobicContact CE2-CD2 4.1Å; F342-F400 HydrophobicContact CE2-CG 4.08Å; F342-F400 HydrophobicContact CZ-CB 3.97Å; F342-F400 HydrophobicContact CZ-CG 4.14Å; S351-F400 WeakPolarHBondContact O-CE1 3.26Å; E355-F400 HydrophobicContact CB-CE1 4.34Å; E355-F400 HydrophobicContact CB-CZ 3.94Å; E355-F400 HydrophobicContact CG-CZ 4.43Å; E355-F400 WeakPolarHBondContact OE2-CZ 3.45Å; L396-F400 WeakPolarHBondContact O-CB 3.46Å; L396-F400 PolarHBondContact O-N 2.89Å; Y397-F400 HydrophobicContact CD2-CD1 4.06Å; Y397-F400 HydrophobicContact CE2-CD1 4.22Å; Y397-F400 WeakPolarHBondContact O-CB 3.28Å; Y397-F400 PolarHBondContact O-N 2.79Å; F400-Q402 VanDerWaalsContact C-N 3.27Å; F400-Q402 PolarHBondContact O-N 3.14Å; F400-E403 WeakPolarHBondContact O-CB 3.42Å; F400-E403 PolarHBondContact O-N 2.94Å; F400-E403 VanDerWaalsContact O-N 3.1Å; F400-L404 HydrophobicContact CD1-CD1 4.02Å; F400-L404 HydrophobicContact CD1-CG 4.18Å; F400-L404 HydrophobicContact CE1-CD1 3.52Å; F400-L404 HydrophobicContact CE1-CD2 4.17Å; F400-L404 HydrophobicContact CE1-CG 3.86Å; F400-L404 HydrophobicContact CE2-CD2 4.18Å; F400-L404 HydrophobicContact CE2-CG 4.44Å; F400-L404 HydrophobicContact CZ-CD1 4.03Å; F400-L404 HydrophobicContact CZ-CD2 3.83Å; F400-L404 HydrophobicContact CZ-CG 4.02Å; F400-L404 WeakPolarHBondContact O-CG 3.49Å; F400-L404 PolarHBondContact O-N 2.89Å
401K96.8Very high96.3Very high49 Ų4971.5 Ų71.521%0.21335%0.351CS..Hα-helixtrans-61-31176.3-69.5-159.2-61.3175.10114.1Y397 Q399 C415Y397-K401 HydrophobicContact CD2-CG 4.3Å; Y397-K401 HydrophobicContact CE1-CD 4.03Å; Y397-K401 HydrophobicContact CE1-CG 4.49Å; Y397-K401 HydrophobicContact CE2-CD 4.21Å; Y397-K401 HydrophobicContact CE2-CG 3.94Å; Y397-K401 WeakPolarHBondContact O-CG 3.17Å; Y397-K401 PolarHBondContact O-N 2.86Å; Q399-K401 VanDerWaalsContact C-N 3.27Å; Q399-K401 PolarHBondContact O-N 3.19Å; K401-C415 HydrophobicContact CD-CB 3.45Å; K401-C415 VanDerWaalsContact CD-CB 3.45Å; K401-C415 VanDerWaalsContact CD-O 3.32Å; K401-C415 WeakPolarHBondContact CD-O 3Å; K401-C415 HydrophobicContact CG-CB 3.99Å; K401-C415 PolarHBondContact NZ-O 3.23Å
402Q96.5Very high96.6Very high115 Ų11572.8 Ų72.854%0.53737%0.368SS..Hα-helixtrans-75.2-41.2173.5-57.9-58.6-24.900111.1Q399 F400 L404 K405Q399-Q402 WeakPolarHBondContact O-CA 3.05Å; Q399-Q402 WeakPolarHBondContact O-CB 3.46Å; Q399-Q402 PolarHBondContact O-N 2.99Å; F400-Q402 VanDerWaalsContact C-N 3.27Å; F400-Q402 PolarHBondContact O-N 3.14Å; Q402-L404 VanDerWaalsContact C-N 3.28Å; Q402-L404 PolarHBondContact O-N 3.12Å; Q402-K405 WeakPolarHBondContact O-CB 3.46Å; Q402-K405 PolarHBondContact O-N 3.35Å; Q402-K405 VanDerWaalsContact O-N 3.1Å
403E97.4Very high96.7Very high69 Ų6970 Ų7032%0.32235%0.352SS..Hα-helixtrans-61.3-36.8176.5-66.1170.117700111.6R341 Q399 F400 K405 A406 K407R341-E403 IonicContact CZ-OE2 2.8Å; R341-E403 IonicContact NH1-OE1 3.96Å; R341-E403 PolarHBondContact NH1-OE1 3.13Å; R341-E403 VanDerWaalsContact NH1-OE1 3.14Å; R341-E403 IonicContact NH1-OE2 3.84Å; R341-E403 PolarHBondContact NH1-OE2 3.28Å; R341-E403 VanDerWaalsContact NH1-OE2 3.11Å; R341-E403 IonicContact NH2-OE2 3.89Å; R341-E403 PolarHBondContact NH2-OE2 2.69Å; Q399-E403 HydrophobicContact CG-CG 4.41Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.45Å; Q399-E403 PolarHBondContact NE2-OE1 3.18Å; Q399-E403 PolarHBondContact O-N 3.08Å; F400-E403 WeakPolarHBondContact O-CB 3.42Å; F400-E403 PolarHBondContact O-N 2.94Å; F400-E403 VanDerWaalsContact O-N 3.1Å; E403-K405 VanDerWaalsContact C-N 3.26Å; E403-K405 PolarHBondContact O-N 2.81Å; E403-A406 WeakPolarHBondContact O-CB 3.09Å; E403-A406 PolarHBondContact O-N 3.38Å; E403-K407 WeakPolarHBondContact O-CB 3.35Å; E403-K407 PolarHBondContact O-N 3.31Å
404L97.7Very high96.6Very high5 Ų574.5 Ų74.53%0.02637%0.369CS..Hα-helixtrans-59.4-33.7174.2-73.9-172.6000113.3C354 E355 V358 F400 Q402 A406 K407 Y408C354-L404 WeakPolarHBondContact SG-CD1 3.47Å; E355-L404 HydrophobicContact CB-CD1 4.27Å; E355-L404 HydrophobicContact CB-CD2 4.13Å; E355-L404 HydrophobicContact CG-CD2 3.65Å; V358-L404 HydrophobicContact CG2-CD1 4.2Å; F400-L404 HydrophobicContact CD1-CD1 4.02Å; F400-L404 HydrophobicContact CD1-CG 4.18Å; F400-L404 HydrophobicContact CE1-CD1 3.52Å; F400-L404 HydrophobicContact CE1-CD2 4.17Å; F400-L404 HydrophobicContact CE1-CG 3.86Å; F400-L404 HydrophobicContact CE2-CD2 4.18Å; F400-L404 HydrophobicContact CE2-CG 4.44Å; F400-L404 HydrophobicContact CZ-CD1 4.03Å; F400-L404 HydrophobicContact CZ-CD2 3.83Å; F400-L404 HydrophobicContact CZ-CG 4.02Å; F400-L404 WeakPolarHBondContact O-CG 3.49Å; F400-L404 PolarHBondContact O-N 2.89Å; Q402-L404 VanDerWaalsContact C-N 3.28Å; Q402-L404 PolarHBondContact O-N 3.12Å; L404-A406 VanDerWaalsContact C-N 3.28Å; L404-A406 PolarHBondContact O-N 3.28Å; L404-K407 HydrophobicContact CD2-CD 4.5Å; L404-K407 PolarHBondContact O-N 3.3Å; L404-Y408 HydrophobicContact CD2-CD2 4.02Å; L404-Y408 HydrophobicContact CD2-CE2 3.8Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 PolarHBondContact O-N 2.8Å
405K96.1Very high96.3Very high87 Ų8772.8 Ų72.838%0.37837%0.367SS..Hα-helixtrans-65.2-35.8175.9-61.7174.1-175.71720111.6Q402 E403 Y408 P409Q402-K405 WeakPolarHBondContact O-CB 3.46Å; Q402-K405 PolarHBondContact O-N 3.35Å; Q402-K405 VanDerWaalsContact O-N 3.1Å; E403-K405 VanDerWaalsContact C-N 3.26Å; E403-K405 PolarHBondContact O-N 2.81Å; K405-Y408 CarbonylContact O-C 3.58Å; K405-P409 WeakPolarHBondContact O-CA 3.3Å
406A96Very high96.3Very high81 Ų8171.9 Ų71.967%0.66936%0.361SS*.Hα-helixtrans-77.4-37.8176.300000111.9E403 L404 P409E403-A406 WeakPolarHBondContact O-CB 3.09Å; E403-A406 PolarHBondContact O-N 3.38Å; L404-A406 VanDerWaalsContact C-N 3.28Å; L404-A406 PolarHBondContact O-N 3.28Å; A406-P409 WeakPolarHBondContact O-CD 3.48Å
407K97.2Very high96.2Very high116 Ų11674.7 Ų74.750%0.50438%0.375SS..Hα-helixtrans-68-34.7177.5-171.9174177.3-179.30112.3E355 E403 L404 P409E355-K407 WeakPolarHBondContact OE1-CE 3.23Å; E355-K407 IonicContact OE1-NZ 3.25Å; E355-K407 PolarHBondContact OE1-NZ 3.39Å; E403-K407 WeakPolarHBondContact O-CB 3.35Å; E403-K407 PolarHBondContact O-N 3.31Å; L404-K407 HydrophobicContact CD2-CD 4.5Å; L404-K407 PolarHBondContact O-N 3.3Å; K407-P409 VanDerWaalsContact C-CD 3.49Å; K407-P409 WeakPolarHBondContact O-CD 3.48Å
408Y97.4Very high96.1Very high52 Ų5278.4 Ų78.420%0.20440%0.395CS..SBendtrans-12564.1-178.2-59.6-85000111.9E355 V358 A359 L404 K405 N410 S411E355-Y408 HydrophobicContact CG-CE2 3.97Å; E355-Y408 PolarHBondContact OE1-OH 3.42Å; V358-Y408 HydrophobicContact CG1-CD2 3.74Å; V358-Y408 HydrophobicContact CG1-CG 3.8Å; A359-Y408 HydrophobicContact CB-CE1 3.76Å; L404-Y408 HydrophobicContact CD2-CD2 4.02Å; L404-Y408 HydrophobicContact CD2-CE2 3.8Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 PolarHBondContact O-N 2.8Å; K405-Y408 CarbonylContact O-C 3.58Å; Y408-N410 VanDerWaalsContact C-N 3.25Å; Y408-N410 PolarHBondContact O-N 3.29Å; Y408-S411 PolarHBondContact O-N 2.63Å; Y408-S411 VanDerWaalsContact O-N 3.15Å
409P96.3Very high96.1Very high84 Ų8474.8 Ų74.855%0.54539%0.387SS..THydrogen-bonded Turntrans-64-31.1-171.426.3-34.3000113K405 A406 K407K405-P409 WeakPolarHBondContact O-CA 3.3Å; A406-P409 WeakPolarHBondContact O-CD 3.48Å; K407-P409 VanDerWaalsContact C-CD 3.49Å; K407-P409 WeakPolarHBondContact O-CD 3.48Å
410N96.6Very high96Very high156 Ų15673 Ų7383%0.83438%0.381SS*.THydrogen-bonded Turntrans-91.8-5.5-177.7-60.1-30.3000113.5Y408Y408-N410 VanDerWaalsContact C-N 3.25Å; Y408-N410 PolarHBondContact O-N 3.29Å
411S96.5Very high95.9Very high18 Ų1877.5 Ų77.513%0.12640%0.404CS..  trans-68.6135.6177.6179.30000109.4V358 Y408 R413 R414V358-S411 WeakPolarHBondContact O-CB 3.43Å; V358-S411 PolarHBondContact O-OG 3.46Å; Y408-S411 PolarHBondContact O-N 2.63Å; Y408-S411 VanDerWaalsContact O-N 3.15Å; S411-R413 VanDerWaalsContact C-N 3.29Å; S411-R413 PolarHBondContact OG-N 3.29Å; S411-R413 VanDerWaalsContact OG-N 3.16Å; S411-R414 VanDerWaalsContact O-CZ 3.27Å; S411-R414 PolarHBondContact O-NH1 3.17Å; S411-R414 PolarHBondContact O-NH2 2.91Å
412P95.4Very high95.8Very high122 Ų12279.5 Ų79.579%0.79242%0.418SS*.  trans-82.2-10.9169.932.9-33.6000112.4
413R96.3Very high95.8Very high66 Ų6676.8 Ų76.825%0.24941%0.409CS..  trans-90.5143.8-173.9-68.8176.5-173-1631.2111H357 G360 F361 D362 S411H357-R413 WeakPolarHBondContact NE2-CB 3.17Å; H357-R413 WeakPolarHBondContact O-CB 3.41Å; H357-R413 WeakPolarHBondContact O-CD 3.34Å; G360-R413 VanDerWaalsContact C-NH1 3.31Å; G360-R413 PolarHBondContact O-NH1 2.81Å; F361-R413 VanDerWaalsContact C-NH1 3.32Å; F361-R413 PolarHBondContact O-NH1 2.94Å; D362-R413 IonicContact OD1-CZ 3.35Å; D362-R413 VanDerWaalsContact OD1-CZ 3.25Å; D362-R413 IonicContact OD1-NH1 3.14Å; D362-R413 PolarHBondContact OD1-NH1 2.82Å; D362-R413 IonicContact OD1-NH2 2.67Å; D362-R413 PolarHBondContact OD1-NH2 3.08Å; D362-R413 IonicContact OD2-NH2 3.11Å; S411-R413 VanDerWaalsContact C-N 3.29Å; S411-R413 PolarHBondContact OG-N 3.29Å; S411-R413 VanDerWaalsContact OG-N 3.16Å
414R93.5Very high95.6Very high99 Ų9977.4 Ų77.437%0.37442%0.416SS..  trans-141.9151.8-175.4-65.4-67.8178-90.9-3.9111.5W321 S411W321-R414 WeakPolarHBondContact CZ3-O 3.35Å; S411-R414 VanDerWaalsContact O-CZ 3.27Å; S411-R414 PolarHBondContact O-NH1 3.17Å; S411-R414 PolarHBondContact O-NH2 2.91Å
415C88.4Confident95.4Very high43 Ų4384 Ų8429%0.29145%0.452SS..  trans-101.70158.6-40.50000109.1W321 C354 V358 K401W321-C415 HydrophobicContact CH2-CB 3.61Å; W321-C415 HydrophobicContact CZ2-CB 4.24Å; W321-C415 HydrophobicContact CZ3-CB 4.31Å; C354-C415 VanDerWaalsContact C-SG 3.52Å; C354-C415 WeakPolarHBondContact CA-SG 3.43Å; C354-C415 HydrophobicContact CB-CB 4.07Å; C354-C415 WeakPolarHBondContact CB-SG 3.24Å; C354-C415 PolarHBondContact O-SG 2.81Å; C354-C415 VanDerWaalsContact O-SG 3.32Å; C354-C415 WeakPolarHBondContact SG-CB 2.87Å; C354-C415 CovalentContact SG-SG 2.01Å; C354-C415 PolarHBondContact SG-SG 2.81Å; V358-C415 VanDerWaalsContact CG2-SG 3.57Å; K401-C415 HydrophobicContact CD-CB 3.45Å; K401-C415 VanDerWaalsContact CD-CB 3.45Å; K401-C415 VanDerWaalsContact CD-O 3.32Å; K401-C415 WeakPolarHBondContact CD-O 3Å; K401-C415 HydrophobicContact CG-CB 3.99Å; K401-C415 PolarHBondContact NZ-O 3.23Å

Retrieved 415 of 415 residues in 115.4 ms (Link to these results)

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