A0A077Z3P9_TRITR Loading...

Cuticle collagen 34 protein

AlphaFold DB , UniProt , Accession A0A077Z3P9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M58.9Low84.4Confident223 Ų223127.9 Ų127.9100%1.09962%0.62SS**  0-15.80-69.3-16317900113.8
2E75Confident85.1Confident153 Ų153130.2 Ų130.272%0.71563%0.625SS**Hα-helixtrans-77.1-27.7177.6-80.7172.1106.700115.2G5 R6E2-G5 PolarHBondContact O-N 3.3Å; E2-R6 PolarHBondContact O-N 3.39Å
3V80.1Confident85.8Confident115 Ų115128.2 Ų128.270%0.69762%0.618SS**Hα-helixtrans-66.7-43.5-177.4-176.40000111.6G5 R6 E7V3-G5 VanDerWaalsContact C-N 3.26Å; V3-G5 PolarHBondContact O-N 3.29Å; V3-R6 PolarHBondContact O-N 3Å; V3-E7 PolarHBondContact O-N 3.2Å
4D82.8Confident86.5Confident98 Ų98123 Ų12352%0.52461%0.606SS.*Hα-helixtrans-60.3-34.9177.5-69.2-57.2000112.9K8D4-K8 WeakPolarHBondContact O-CG 3.32Å; D4-K8 PolarHBondContact O-N 3.45Å; D4-K8 VanDerWaalsContact O-N 3.15Å
5G86.3Confident87.1Confident43 Ų43120.6 Ų120.644%0.44361%0.605SS.*Hα-helixtrans-67.5-44177.500000112.1E2 V3 K8 A9E2-G5 PolarHBondContact O-N 3.3Å; V3-G5 VanDerWaalsContact C-N 3.26Å; V3-G5 PolarHBondContact O-N 3.29Å; G5-K8 PolarHBondContact O-N 3.49Å; G5-A9 PolarHBondContact O-N 2.9Å; G5-A9 VanDerWaalsContact O-N 3.08Å
6R88.4Confident87.6Confident164 Ų164115.4 Ų115.462%0.61958%0.584SS**Hα-helixtrans-64.9-43176.6-68.5-175.3-174.8177.63.8111.3E2 V3 K8 A9 Y10E2-R6 PolarHBondContact O-N 3.39Å; V3-R6 PolarHBondContact O-N 3Å; R6-K8 PolarHBondContact O-N 3.15Å; R6-A9 PolarHBondContact O-N 3.32Å; R6-Y10 HydrophobicContact CB-CD2 4.44Å; R6-Y10 HydrophobicContact CB-CE2 4.39Å; R6-Y10 WeakPolarHBondContact O-CD2 3.34Å; R6-Y10 PolarHBondContact O-N 2.63Å
7E90.3Very high88.1Confident85 Ų85111.6 Ų111.640%0.39757%0.574SS.*Hα-helixtrans-61.3-44.1179-171.6179.4176.500112V3 A9 Y10 R11V3-E7 PolarHBondContact O-N 3.2Å; E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 2.89Å; E7-Y10 PolarHBondContact O-N 3.16Å; E7-R11 WeakPolarHBondContact O-CB 3.49Å; E7-R11 WeakPolarHBondContact O-CG 3.31Å; E7-R11 PolarHBondContact O-N 3.45Å; E7-R11 IonicContact OE1-CZ 2.63Å; E7-R11 IonicContact OE1-NE 3.98Å; E7-R11 PolarHBondContact OE1-NE 3.2Å; E7-R11 VanDerWaalsContact OE1-NE 3.16Å; E7-R11 IonicContact OE1-NH2 3.16Å; E7-R11 PolarHBondContact OE1-NH2 3.08Å
8K89.1Confident88.6Confident152 Ų152110.6 Ų110.666%0.66157%0.573SS**Hα-helixtrans-61.5-41.2174.9-72174.5-174.8177.70112.1D4 G5 R6 R11 F12D4-K8 WeakPolarHBondContact O-CG 3.32Å; D4-K8 PolarHBondContact O-N 3.45Å; D4-K8 VanDerWaalsContact O-N 3.15Å; G5-K8 PolarHBondContact O-N 3.49Å; R6-K8 PolarHBondContact O-N 3.15Å; K8-R11 PolarHBondContact O-N 3.46Å; K8-F12 WeakPolarHBondContact O-CB 3.12Å; K8-F12 PolarHBondContact O-N 2.87Å
9A91.7Very high89.1Confident50 Ų50107.2 Ų107.241%0.41356%0.563SS.*Hα-helixtrans-63.4-44.8176.500000111.9G5 R6 E7 F12 I13G5-A9 PolarHBondContact O-N 2.9Å; G5-A9 VanDerWaalsContact O-N 3.08Å; R6-A9 PolarHBondContact O-N 3.32Å; E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 2.89Å; A9-F12 PolarHBondContact O-N 3.35Å; A9-I13 VanDerWaalsContact O-CG1 3.31Å; A9-I13 WeakPolarHBondContact O-CG1 3.41Å; A9-I13 PolarHBondContact O-N 2.85Å
10Y92.5Very high89.4Confident167 Ų167109 Ų10966%0.65557%0.567SS**Hα-helixtrans-63.4-42.6175.9-80.3-66.1000112.4R6 E7 F12 I13 A14R6-Y10 HydrophobicContact CB-CD2 4.44Å; R6-Y10 HydrophobicContact CB-CE2 4.39Å; R6-Y10 WeakPolarHBondContact O-CD2 3.34Å; R6-Y10 PolarHBondContact O-N 2.63Å; E7-Y10 PolarHBondContact O-N 3.16Å; Y10-F12 VanDerWaalsContact C-N 3.32Å; Y10-F12 PolarHBondContact O-N 2.96Å; Y10-I13 PolarHBondContact O-N 2.92Å; Y10-A14 WeakPolarHBondContact O-CB 3.33Å; Y10-A14 PolarHBondContact O-N 3.26Å
11R93Very high89.8Confident157 Ų157107 Ų10759%0.59256%0.562SS**Hα-helixtrans-60.8-41.9174.5-71.7176.8-177.7-156.41.9111.2E7 K8 A14 C15E7-R11 WeakPolarHBondContact O-CB 3.49Å; E7-R11 WeakPolarHBondContact O-CG 3.31Å; E7-R11 PolarHBondContact O-N 3.45Å; E7-R11 IonicContact OE1-CZ 2.63Å; E7-R11 IonicContact OE1-NE 3.98Å; E7-R11 PolarHBondContact OE1-NE 3.2Å; E7-R11 VanDerWaalsContact OE1-NE 3.16Å; E7-R11 IonicContact OE1-NH2 3.16Å; E7-R11 PolarHBondContact OE1-NH2 3.08Å; K8-R11 PolarHBondContact O-N 3.46Å; R11-A14 PolarHBondContact O-N 3.43Å; R11-C15 VanDerWaalsContact O-CB 3.28Å; R11-C15 WeakPolarHBondContact O-CB 3.31Å; R11-C15 PolarHBondContact O-N 3.4Å; R11-C15 PolarHBondContact O-SG 3.5Å
12F92.7Very high91.7Very high155 Ų155100.2 Ų100.268%0.6853%0.533SS*.Hα-helixtrans-63.6-44.4177.4-174.9-98.3000112.4K8 A9 Y10 C15 S16K8-F12 WeakPolarHBondContact O-CB 3.12Å; K8-F12 PolarHBondContact O-N 2.87Å; A9-F12 PolarHBondContact O-N 3.35Å; Y10-F12 VanDerWaalsContact C-N 3.32Å; Y10-F12 PolarHBondContact O-N 2.96Å; F12-C15 PolarHBondContact O-N 3.48Å; F12-S16 WeakPolarHBondContact O-CB 3.34Å; F12-S16 PolarHBondContact O-N 3.2Å; F12-S16 PolarHBondContact O-OG 3.22Å
13I95Very high92.7Very high105 Ų10597.9 Ų97.954%0.53852%0.524SS..Hα-helixtrans-65.2-41.7177.1-65.6165.2000111A9 Y10 S16 A17A9-I13 VanDerWaalsContact O-CG1 3.31Å; A9-I13 WeakPolarHBondContact O-CG1 3.41Å; A9-I13 PolarHBondContact O-N 2.85Å; Y10-I13 PolarHBondContact O-N 2.92Å; I13-S16 PolarHBondContact O-N 2.97Å; I13-S16 PolarHBondContact O-OG 2.96Å; I13-A17 WeakPolarHBondContact O-CB 3.32Å; I13-A17 PolarHBondContact O-N 2.93Å
14A95.6Very high93.5Very high55 Ų5595 Ų9546%0.45551%0.513SS..Hα-helixtrans-65.4-44.9176.600000111.5Y10 R11 S16 A17 V18Y10-A14 WeakPolarHBondContact O-CB 3.33Å; Y10-A14 PolarHBondContact O-N 3.26Å; R11-A14 PolarHBondContact O-N 3.43Å; A14-S16 PolarHBondContact O-N 3.44Å; A14-A17 PolarHBondContact O-N 3.41Å; A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 3Å
15C94.6Very high94.2Very high87 Ų8795.3 Ų95.359%0.58851%0.513SS*.Hα-helixtrans-63-40.9177.1-73.90000112.1R11 F12 A19R11-C15 VanDerWaalsContact O-CB 3.28Å; R11-C15 WeakPolarHBondContact O-CB 3.31Å; R11-C15 PolarHBondContact O-N 3.4Å; R11-C15 PolarHBondContact O-SG 3.5Å; F12-C15 PolarHBondContact O-N 3.48Å; C15-A19 WeakPolarHBondContact O-CB 3.43Å; C15-A19 PolarHBondContact O-N 2.91Å
16S95.9Very high94.7Very high38 Ų3896.8 Ų96.827%0.26651%0.514SS..Hα-helixtrans-67.7-43.4177.465.70000111.4F12 I13 A14 V18 A19 F20F12-S16 WeakPolarHBondContact O-CB 3.34Å; F12-S16 PolarHBondContact O-N 3.2Å; F12-S16 PolarHBondContact O-OG 3.22Å; I13-S16 PolarHBondContact O-N 2.97Å; I13-S16 PolarHBondContact O-OG 2.96Å; A14-S16 PolarHBondContact O-N 3.44Å; S16-V18 PolarHBondContact O-N 3.42Å; S16-A19 PolarHBondContact O-N 2.9Å; S16-F20 WeakPolarHBondContact O-CD2 3Å; S16-F20 PolarHBondContact O-N 3.3Å
17A96.7Very high95.1Very high50 Ų5092.1 Ų92.141%0.41351%0.506SS..Hα-helixtrans-57.5-46.9175.300000111.9I13 A14 F20 S21I13-A17 WeakPolarHBondContact O-CB 3.32Å; I13-A17 PolarHBondContact O-N 2.93Å; A14-A17 PolarHBondContact O-N 3.41Å; A17-F20 PolarHBondContact O-N 3.24Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.39Å; A17-S21 VanDerWaalsContact O-OG 3.11Å
18V97Very high95.4Very high93 Ų9391.7 Ų91.756%0.56451%0.509SS*.Hα-helixtrans-63.3-43176.5173.90000111.1A14 S16 F20 S21 V22A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 3Å; S16-V18 PolarHBondContact O-N 3.42Å; V18-F20 PolarHBondContact O-N 3.11Å; V18-S21 PolarHBondContact O-N 3.36Å; V18-V22 HydrophobicContact CG1-CG2 4.37Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.92Å
19A96.7Very high95.7Very high46 Ų4688.2 Ų88.238%0.3850%0.503SS..Hα-helixtrans-60.2-44.6177.400000111.9C15 S16 S21 V22 I23C15-A19 WeakPolarHBondContact O-CB 3.43Å; C15-A19 PolarHBondContact O-N 2.91Å; S16-A19 PolarHBondContact O-N 2.9Å; A19-S21 PolarHBondContact O-N 3.02Å; A19-V22 PolarHBondContact O-N 3.36Å; A19-I23 VanDerWaalsContact O-CG1 3.24Å; A19-I23 WeakPolarHBondContact O-CG1 3.25Å; A19-I23 PolarHBondContact O-N 2.93Å
20F96.8Very high96Very high144 Ų14490.8 Ų90.863%0.63251%0.513SS*.Hα-helixtrans-63.2-40175.8-74.5-63000112.4S16 A17 V18 I23 A24S16-F20 WeakPolarHBondContact O-CD2 3Å; S16-F20 PolarHBondContact O-N 3.3Å; A17-F20 PolarHBondContact O-N 3.24Å; V18-F20 PolarHBondContact O-N 3.11Å; F20-I23 PolarHBondContact O-N 3.02Å; F20-A24 WeakPolarHBondContact O-CB 3.46Å; F20-A24 PolarHBondContact O-N 3.46Å
21S97.5Very high96.1Very high67 Ų6786.4 Ų86.447%0.46950%0.504SS..Hα-helixtrans-62.7-43.9174.9-59.30000111.9A17 V18 A19 A24 I25A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.39Å; A17-S21 VanDerWaalsContact O-OG 3.11Å; V18-S21 PolarHBondContact O-N 3.36Å; A19-S21 PolarHBondContact O-N 3.02Å; S21-A24 PolarHBondContact O-N 2.91Å; S21-I25 WeakPolarHBondContact O-CB 3.44Å; S21-I25 WeakPolarHBondContact O-CD1 3.4Å; S21-I25 WeakPolarHBondContact O-CG1 3.2Å; S21-I25 PolarHBondContact O-N 3.47Å
22V97.2Very high96.3Very high80 Ų8083.9 Ų83.949%0.48550%0.502SS..Hα-helixtrans-63.6-43.9176.9174.20000110.7V18 A19 A24 I25 T26V18-V22 HydrophobicContact CG1-CG2 4.37Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.92Å; A19-V22 PolarHBondContact O-N 3.36Å; V22-A24 PolarHBondContact O-N 2.89Å; V22-I25 PolarHBondContact O-N 2.86Å; V22-T26 HydrophobicContact CG1-CG2 4.24Å; V22-T26 WeakPolarHBondContact O-CB 3.34Å; V22-T26 VanDerWaalsContact O-CG2 3.25Å; V22-T26 WeakPolarHBondContact O-CG2 3.35Å; V22-T26 PolarHBondContact O-N 3.36Å; V22-T26 PolarHBondContact O-OG1 3.48Å
23I97Very high96.5Very high104 Ų10479.5 Ų79.553%0.53349%0.489SS..Hα-helixtrans-61.9-44.7177-67.1164.4000110.9A19 F20 T26 S27A19-I23 VanDerWaalsContact O-CG1 3.24Å; A19-I23 WeakPolarHBondContact O-CG1 3.25Å; A19-I23 PolarHBondContact O-N 2.93Å; F20-I23 PolarHBondContact O-N 3.02Å; I23-T26 WeakPolarHBondContact CA-OG1 3.32Å; I23-T26 PolarHBondContact O-N 3.38Å; I23-T26 PolarHBondContact O-OG1 2.89Å; I23-S27 VanDerWaalsContact O-CB 3.32Å; I23-S27 WeakPolarHBondContact O-CB 3.36Å; I23-S27 PolarHBondContact O-N 3.4Å
24A97.3Very high96.5Very high56 Ų5680.7 Ų80.746%0.46349%0.494SS..Hα-helixtrans-62.4-45177.600000111.9F20 S21 V22 S27 V28F20-A24 WeakPolarHBondContact O-CB 3.46Å; F20-A24 PolarHBondContact O-N 3.46Å; S21-A24 PolarHBondContact O-N 2.91Å; V22-A24 PolarHBondContact O-N 2.89Å; A24-S27 PolarHBondContact O-N 3.4Å; A24-V28 WeakPolarHBondContact O-CG2 3.47Å; A24-V28 PolarHBondContact O-N 2.89Å
25I97.3Very high96.6Very high104 Ų10482.8 Ų82.853%0.53350%0.497SS..Hα-helixtrans-62.7-48.2177.2-67.4164000110.2S21 V22 S27 V28 C29S21-I25 WeakPolarHBondContact O-CB 3.44Å; S21-I25 WeakPolarHBondContact O-CD1 3.4Å; S21-I25 WeakPolarHBondContact O-CG1 3.2Å; S21-I25 PolarHBondContact O-N 3.47Å; V22-I25 PolarHBondContact O-N 2.86Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.01Å; I25-V28 PolarHBondContact O-N 3Å; I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.21Å; I25-C29 PolarHBondContact O-SG 2.78Å
26T96.2Very high96.7Very high74 Ų7485.3 Ų85.345%0.45450%0.495SS..Hα-helixtrans-62.4-38.5178.756.90000112.4V22 I23 C29 V30V22-T26 HydrophobicContact CG1-CG2 4.24Å; V22-T26 WeakPolarHBondContact O-CB 3.34Å; V22-T26 VanDerWaalsContact O-CG2 3.25Å; V22-T26 WeakPolarHBondContact O-CG2 3.35Å; V22-T26 PolarHBondContact O-N 3.36Å; V22-T26 PolarHBondContact O-OG1 3.48Å; I23-T26 WeakPolarHBondContact CA-OG1 3.32Å; I23-T26 PolarHBondContact O-N 3.38Å; I23-T26 PolarHBondContact O-OG1 2.89Å; T26-C29 PolarHBondContact O-N 2.97Å; T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.47Å; T26-V30 PolarHBondContact O-N 2.96Å
27S96.7Very high96.7Very high66 Ų6688.3 Ų88.346%0.46251%0.508SS..Hα-helixtrans-61.4-45.1174.1-178.60000112I23 A24 I25 V30 T31I23-S27 VanDerWaalsContact O-CB 3.32Å; I23-S27 WeakPolarHBondContact O-CB 3.36Å; I23-S27 PolarHBondContact O-N 3.4Å; A24-S27 PolarHBondContact O-N 3.4Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.01Å; S27-V30 PolarHBondContact O-N 3.31Å; S27-T31 WeakPolarHBondContact O-CB 3.35Å; S27-T31 VanDerWaalsContact O-CG2 3.32Å; S27-T31 WeakPolarHBondContact O-CG2 3.3Å; S27-T31 PolarHBondContact O-N 3.15Å; S27-T31 PolarHBondContact O-OG1 3.36Å
28V97.4Very high96.6Very high75 Ų7592.7 Ų92.746%0.45552%0.515SS..Hα-helixtrans-65.9-43175.5173.50000111A24 I25 V30 T31 L32A24-V28 WeakPolarHBondContact O-CG2 3.47Å; A24-V28 PolarHBondContact O-N 2.89Å; I25-V28 PolarHBondContact O-N 3Å; V28-V30 PolarHBondContact O-N 3.23Å; V28-T31 WeakPolarHBondContact CA-OG1 3.44Å; V28-T31 PolarHBondContact O-N 3.25Å; V28-T31 PolarHBondContact O-OG1 3.34Å; V28-L32 HydrophobicContact CG1-CD1 3.51Å; V28-L32 HydrophobicContact CG1-CG 3.87Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.33Å; V28-L32 PolarHBondContact O-N 2.8Å
29C95.9Very high96.6Very high80 Ų8091.4 Ų91.454%0.54151%0.507SS..Hα-helixtrans-63.2-25.4178-70.30000113.5I25 T26 P33I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.21Å; I25-C29 PolarHBondContact O-SG 2.78Å; T26-C29 PolarHBondContact O-N 2.97Å; C29-P33 WeakPolarHBondContact O-CD 3.3Å; C29-P33 WeakPolarHBondContact O-CG 3.09Å
30V96.3Very high96.6Very high103 Ų10395 Ų9562%0.62451%0.511SS*.Hα-helixtrans-88.8-38.9175.6173.60000111.6T26 S27 V28 P33 M34T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.47Å; T26-V30 PolarHBondContact O-N 2.96Å; S27-V30 PolarHBondContact O-N 3.31Å; V28-V30 PolarHBondContact O-N 3.23Å; V30-P33 WeakPolarHBondContact O-CD 3.41Å; V30-P33 WeakPolarHBondContact O-CG 3.45Å; V30-M34 WeakPolarHBondContact O-CB 3.38Å
31T96.3Very high96.5Very high76 Ų7694.9 Ų94.947%0.46651%0.507SS..Hα-helixtrans-74.5-38.2-176.949.30000113.2S27 V28 M34 L35S27-T31 WeakPolarHBondContact O-CB 3.35Å; S27-T31 VanDerWaalsContact O-CG2 3.32Å; S27-T31 WeakPolarHBondContact O-CG2 3.3Å; S27-T31 PolarHBondContact O-N 3.15Å; S27-T31 PolarHBondContact O-OG1 3.36Å; V28-T31 WeakPolarHBondContact CA-OG1 3.44Å; V28-T31 PolarHBondContact O-N 3.25Å; V28-T31 PolarHBondContact O-OG1 3.34Å; T31-M34 PolarHBondContact O-N 2.96Å; T31-L35 VanDerWaalsContact O-CB 3.3Å; T31-L35 WeakPolarHBondContact O-CB 2.98Å; T31-L35 PolarHBondContact O-N 2.88Å
32L96.8Very high96.3Very high103 Ų10394.4 Ų94.454%0.53950%0.501SS..Hα-helixtrans-60.7-50.8178.8-71.5179.4000114.5V28 M34 L35 Y36V28-L32 HydrophobicContact CG1-CD1 3.51Å; V28-L32 HydrophobicContact CG1-CG 3.87Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.33Å; V28-L32 PolarHBondContact O-N 2.8Å; L32-M34 VanDerWaalsContact C-N 3.33Å; L32-M34 PolarHBondContact O-N 3.45Å; L32-L35 PolarHBondContact O-N 3.37Å; L32-Y36 WeakPolarHBondContact O-CB 3.42Å; L32-Y36 PolarHBondContact O-N 3.38Å
33P96.7Very high96.1Very high63 Ų6395.3 Ų95.341%0.40950%0.5SS..Hα-helixtrans-67.3-34.217825.5-34000112.3C29 V30 Y36 N37C29-P33 WeakPolarHBondContact O-CD 3.3Å; C29-P33 WeakPolarHBondContact O-CG 3.09Å; V30-P33 WeakPolarHBondContact O-CD 3.41Å; V30-P33 WeakPolarHBondContact O-CG 3.45Å; P33-Y36 PolarHBondContact O-N 3.42Å; P33-N37 WeakPolarHBondContact O-CB 3.47Å; P33-N37 VanDerWaalsContact O-CG 3.22Å; P33-N37 PolarHBondContact O-N 3.48Å; P33-N37 PolarHBondContact O-ND2 2.97Å
34M95.5Very high95.8Very high130 Ų13094.7 Ų94.764%0.6450%0.498SS*.Hα-helixtrans-63.6-45.6175.3-168.7-82.3-177.900110.9V30 T31 L32 N37 Y38V30-M34 WeakPolarHBondContact O-CB 3.38Å; T31-M34 PolarHBondContact O-N 2.96Å; L32-M34 VanDerWaalsContact C-N 3.33Å; L32-M34 PolarHBondContact O-N 3.45Å; M34-N37 PolarHBondContact O-N 3.02Å; M34-Y38 WeakPolarHBondContact O-CB 3.38Å; M34-Y38 PolarHBondContact O-N 3.48Å
35L96.2Very high95.5Very high100 Ų10096.2 Ų96.252%0.52450%0.496SS..Hα-helixtrans-64.9-42.7176.1-17764.6000111.9T31 L32 N37 Y38 V39T31-L35 VanDerWaalsContact O-CB 3.3Å; T31-L35 WeakPolarHBondContact O-CB 2.98Å; T31-L35 PolarHBondContact O-N 2.88Å; L32-L35 PolarHBondContact O-N 3.37Å; L35-N37 PolarHBondContact O-N 3.44Å; L35-Y38 PolarHBondContact O-N 3.43Å; L35-V39 HydrophobicContact CD1-CG2 4.37Å; L35-V39 WeakPolarHBondContact O-CG2 3.35Å; L35-V39 PolarHBondContact O-N 2.88Å
36Y96.8Very high95.3Very high139 Ų13995.1 Ų95.155%0.54549%0.494SS..Hα-helixtrans-59.3-46.2176.2178.2-96.7000111.8L32 P33 Y38 V39 R40L32-Y36 WeakPolarHBondContact O-CB 3.42Å; L32-Y36 PolarHBondContact O-N 3.38Å; P33-Y36 PolarHBondContact O-N 3.42Å; Y36-Y38 VanDerWaalsContact C-N 3.35Å; Y36-Y38 PolarHBondContact O-N 2.96Å; Y36-V39 PolarHBondContact O-N 2.91Å; Y36-R40 HydrophobicContact CE1-CG 4.17Å; Y36-R40 PolarHBondContact O-N 3.27Å
37N95.6Very high95Very high102 Ų10297.9 Ų97.955%0.54550%0.501SS..Hα-helixtrans-65.2-38.6177.3-71.4-16.8000112P33 M34 L35 Y41P33-N37 WeakPolarHBondContact O-CB 3.47Å; P33-N37 VanDerWaalsContact O-CG 3.22Å; P33-N37 PolarHBondContact O-N 3.48Å; P33-N37 PolarHBondContact O-ND2 2.97Å; M34-N37 PolarHBondContact O-N 3.02Å; L35-N37 PolarHBondContact O-N 3.44Å; N37-Y41 WeakPolarHBondContact O-CB 3.34Å; N37-Y41 PolarHBondContact O-N 3.49Å
38Y96.1Very high94.5Very high141 Ų141100.9 Ų100.955%0.55351%0.508SS*.Hα-helixtrans-64.9-46.3176.7-179.4-99.8000112M34 L35 Y36 R40 Y41 V42M34-Y38 WeakPolarHBondContact O-CB 3.38Å; M34-Y38 PolarHBondContact O-N 3.48Å; L35-Y38 PolarHBondContact O-N 3.43Å; Y36-Y38 VanDerWaalsContact C-N 3.35Å; Y36-Y38 PolarHBondContact O-N 2.96Å; Y38-R40 VanDerWaalsContact C-N 3.35Å; Y38-R40 PolarHBondContact O-N 3.29Å; Y38-Y41 PolarHBondContact O-N 3.47Å; Y38-V42 HydrophobicContact CD1-CG2 4.29Å; Y38-V42 HydrophobicContact CE1-CG2 3.88Å; Y38-V42 HydrophobicContact CE2-CG2 4.21Å; Y38-V42 WeakPolarHBondContact O-CG2 3.39Å; Y38-V42 PolarHBondContact O-N 2.86Å
39V96.6Very high93.9Very high66 Ų66102.5 Ų102.540%0.451%0.514SS..Hα-helixtrans-60.7-45.7177.1172.50000110.5L35 Y36 Y41 V42 E43L35-V39 HydrophobicContact CD1-CG2 4.37Å; L35-V39 WeakPolarHBondContact O-CG2 3.35Å; L35-V39 PolarHBondContact O-N 2.88Å; Y36-V39 PolarHBondContact O-N 2.91Å; V39-Y41 PolarHBondContact O-N 3.21Å; V39-V42 PolarHBondContact O-N 3.44Å; V39-E43 HydrophobicContact CG1-CG 4.37Å; V39-E43 WeakPolarHBondContact O-CG 3.42Å; V39-E43 PolarHBondContact O-N 2.98Å
40R95.5Very high93.5Very high122 Ų122104 Ų10446%0.4652%0.516SS..Hα-helixtrans-58.8-44.3175.9-85.1-67-164.3172.5-0.4113.1Y36 Y38 V42 E43 D44Y36-R40 HydrophobicContact CE1-CG 4.17Å; Y36-R40 PolarHBondContact O-N 3.27Å; Y38-R40 VanDerWaalsContact C-N 3.35Å; Y38-R40 PolarHBondContact O-N 3.29Å; R40-V42 VanDerWaalsContact C-N 3.33Å; R40-V42 PolarHBondContact O-N 3.33Å; R40-E43 PolarHBondContact O-N 3.09Å; R40-D44 PolarHBondContact O-N 2.93Å
41Y94.7Very high93Very high142 Ų142103.4 Ų103.456%0.55751%0.509SS*.Hα-helixtrans-60.7-42.8176.3174.3-95.7000112.2N37 Y38 V39 Q45N37-Y41 WeakPolarHBondContact O-CB 3.34Å; N37-Y41 PolarHBondContact O-N 3.49Å; Y38-Y41 PolarHBondContact O-N 3.47Å; V39-Y41 PolarHBondContact O-N 3.21Å; Y41-Q45 HydrophobicContact CD1-CG 4.49Å; Y41-Q45 HydrophobicContact CE1-CG 3.99Å; Y41-Q45 HydrophobicContact CE2-CG 4.39Å; Y41-Q45 WeakPolarHBondContact O-CG 3.45Å; Y41-Q45 PolarHBondContact O-N 3.03Å; Y41-Q45 VanDerWaalsContact O-N 3.09Å
42V94.4Very high92.4Very high56 Ų56103.9 Ų103.934%0.33951%0.507SS..Hα-helixtrans-68.4-40.1177.9173.70000111.3Y38 V39 R40 Q45 V46Y38-V42 HydrophobicContact CD1-CG2 4.29Å; Y38-V42 HydrophobicContact CE1-CG2 3.88Å; Y38-V42 HydrophobicContact CE2-CG2 4.21Å; Y38-V42 WeakPolarHBondContact O-CG2 3.39Å; Y38-V42 PolarHBondContact O-N 2.86Å; V39-V42 PolarHBondContact O-N 3.44Å; R40-V42 VanDerWaalsContact C-N 3.33Å; R40-V42 PolarHBondContact O-N 3.33Å; V42-Q45 PolarHBondContact O-N 3.42Å; V42-V46 HydrophobicContact CG1-CG2 4.21Å; V42-V46 WeakPolarHBondContact O-CB 3.5Å; V42-V46 VanDerWaalsContact O-CG2 3.25Å; V42-V46 WeakPolarHBondContact O-CG2 3.25Å; V42-V46 PolarHBondContact O-N 3.46Å
43E93.6Very high91.8Very high99 Ų99103.1 Ų103.146%0.46351%0.509SS..Hα-helixtrans-58.7-46.8174.7-77-179.8163.900111.8V39 R40 V46 Q47V39-E43 HydrophobicContact CG1-CG 4.37Å; V39-E43 WeakPolarHBondContact O-CG 3.42Å; V39-E43 PolarHBondContact O-N 2.98Å; R40-E43 PolarHBondContact O-N 3.09Å; E43-V46 PolarHBondContact O-N 2.91Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.34Å
44D91Very high91.4Very high92 Ų92105.2 Ų105.249%0.49251%0.514SS..Hα-helixtrans-63-45.1179.1-72.5-13.6000111.2R40 V46 Q47 E48R40-D44 PolarHBondContact O-N 2.93Å; D44-V46 PolarHBondContact O-N 3.07Å; D44-Q47 PolarHBondContact O-N 3.42Å; D44-E48 PolarHBondContact O-N 2.91Å
45Q90.2Very high91Very high87 Ų87103.8 Ų103.841%0.40751%0.505SS..Hα-helixtrans-58.9-46.3175.2-81.4-98.2-73.300112.3Y41 V42 E48 D49Y41-Q45 HydrophobicContact CD1-CG 4.49Å; Y41-Q45 HydrophobicContact CE1-CG 3.99Å; Y41-Q45 HydrophobicContact CE2-CG 4.39Å; Y41-Q45 WeakPolarHBondContact O-CG 3.45Å; Y41-Q45 PolarHBondContact O-N 3.03Å; Y41-Q45 VanDerWaalsContact O-N 3.09Å; V42-Q45 PolarHBondContact O-N 3.42Å; Q45-E48 PolarHBondContact O-N 3.49Å; Q45-D49 PolarHBondContact O-N 3.46Å; Q45-D49 VanDerWaalsContact O-N 3.11Å
46V91.8Very high90.4Very high82 Ų82102.4 Ų102.450%0.49750%0.501SS..Hα-helixtrans-67.9-37-179.3172.30000111V42 E43 D44 D49 L50V42-V46 HydrophobicContact CG1-CG2 4.21Å; V42-V46 WeakPolarHBondContact O-CB 3.5Å; V42-V46 VanDerWaalsContact O-CG2 3.25Å; V42-V46 WeakPolarHBondContact O-CG2 3.25Å; V42-V46 PolarHBondContact O-N 3.46Å; E43-V46 PolarHBondContact O-N 2.91Å; D44-V46 PolarHBondContact O-N 3.07Å; V46-D49 PolarHBondContact O-N 3.33Å; V46-L50 VanDerWaalsContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CB 3.27Å; V46-L50 PolarHBondContact O-N 3.11Å
47Q90.6Very high89.7Confident131 Ų13198 Ų9861%0.61249%0.493SS*.Hα-helixtrans-64.4-43.3175.9-79.9-155.1-41.900112.3E43 D44 L50 I51E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.34Å; D44-Q47 PolarHBondContact O-N 3.42Å; Q47-L50 PolarHBondContact O-N 3.46Å; Q47-I51 VanDerWaalsContact O-CG1 3.27Å; Q47-I51 WeakPolarHBondContact O-CG1 3.28Å; Q47-I51 PolarHBondContact O-N 2.88Å
48E86.4Confident89Confident130 Ų13099.1 Ų99.161%0.60749%0.49SS*.Hα-helixtrans-60.7-46.7176.3-73.3-168157.900111.6D44 Q45 L50 I51 M52D44-E48 PolarHBondContact O-N 2.91Å; Q45-E48 PolarHBondContact O-N 3.49Å; E48-L50 VanDerWaalsContact C-N 3.35Å; E48-L50 PolarHBondContact O-N 3.1Å; E48-I51 PolarHBondContact O-N 3.44Å; E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.25Å; E48-M52 PolarHBondContact O-N 3.45Å; E48-M52 VanDerWaalsContact O-N 3.1Å
49D84.2Confident88.2Confident108 Ų10896.7 Ų96.758%0.57849%0.487SS*.Hα-helixtrans-64.6-37.8178.2-79-17.9000112.4Q45 V46 M52 C53Q45-D49 PolarHBondContact O-N 3.46Å; Q45-D49 VanDerWaalsContact O-N 3.11Å; V46-D49 PolarHBondContact O-N 3.33Å; D49-M52 PolarHBondContact O-N 2.68Å; D49-C53 VanDerWaalsContact O-CB 3.25Å; D49-C53 WeakPolarHBondContact O-CB 3.25Å; D49-C53 PolarHBondContact O-N 3.03Å
50L87.4Confident87.3Confident112 Ų11299 Ų9959%0.58649%0.491SS*.Hα-helixtrans-69.9-38.9-179.7-158.7114.7000111.9V46 Q47 E48 C53 Q54V46-L50 VanDerWaalsContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CB 3.27Å; V46-L50 PolarHBondContact O-N 3.11Å; Q47-L50 PolarHBondContact O-N 3.46Å; E48-L50 VanDerWaalsContact C-N 3.35Å; E48-L50 PolarHBondContact O-N 3.1Å; L50-C53 PolarHBondContact O-N 3.02Å; L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.25Å; L50-Q54 PolarHBondContact O-N 3.4Å
51I87.8Confident86.7Confident90 Ų9098.1 Ų98.146%0.46250%0.495SS..Hα-helixtrans-61.6-49173.9-69.2166.2000109.6Q47 E48 C53 Q54 E55Q47-I51 VanDerWaalsContact O-CG1 3.27Å; Q47-I51 WeakPolarHBondContact O-CG1 3.28Å; Q47-I51 PolarHBondContact O-N 2.88Å; E48-I51 PolarHBondContact O-N 3.44Å; I51-C53 VanDerWaalsContact C-N 3.32Å; I51-C53 PolarHBondContact O-N 3.35Å; I51-Q54 PolarHBondContact O-N 2.89Å; I51-E55 WeakPolarHBondContact O-CG 3.01Å; I51-E55 PolarHBondContact O-N 3.03Å
52M81.9Confident85.8Confident86 Ų8696.9 Ų96.942%0.42449%0.492SS..Hα-helixtrans-58.9-42.8177.6-71.1-77.3-72.800112.1E48 D49 T56 Y279E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.25Å; E48-M52 PolarHBondContact O-N 3.45Å; E48-M52 VanDerWaalsContact O-N 3.1Å; D49-M52 PolarHBondContact O-N 2.68Å; M52-T56 WeakPolarHBondContact O-CB 3.45Å; M52-T56 PolarHBondContact O-N 2.97Å; M52-T56 VanDerWaalsContact O-N 3.07Å; M52-T56 PolarHBondContact O-OG1 3.38Å; M52-Y279 HydrophobicContact CE-CE1 4.34Å
53C85Confident84.9Confident88 Ų8899.7 Ų99.760%0.59550%0.502SS*.Hα-helixtrans-68.9-37.7179.2-160.10000111.8D49 L50 I51 A57D49-C53 VanDerWaalsContact O-CB 3.25Å; D49-C53 WeakPolarHBondContact O-CB 3.25Å; D49-C53 PolarHBondContact O-N 3.03Å; L50-C53 PolarHBondContact O-N 3.02Å; I51-C53 VanDerWaalsContact C-N 3.32Å; I51-C53 PolarHBondContact O-N 3.35Å; C53-A57 VanDerWaalsContact O-CB 3.32Å; C53-A57 WeakPolarHBondContact O-CB 3.32Å; C53-A57 PolarHBondContact O-N 3.21Å
54Q89Confident83.9Confident107 Ų107101.1 Ų101.150%0.551%0.507SS..Hα-helixtrans-68.3-40.4177.6-171.6-179.11.200112.2L50 I51 R58L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.25Å; L50-Q54 PolarHBondContact O-N 3.4Å; I51-Q54 PolarHBondContact O-N 2.89Å; Q54-R58 WeakPolarHBondContact O-CB 3.33Å; Q54-R58 PolarHBondContact O-N 3.45Å
55E86.3Confident83.1Confident99 Ų99105.3 Ų105.346%0.46352%0.516SS..Hα-helixtrans-64-47.9175.2-71.9-176164.700110.9I51 A57 R58 D59I51-E55 WeakPolarHBondContact O-CG 3.01Å; I51-E55 PolarHBondContact O-N 3.03Å; E55-A57 PolarHBondContact O-N 2.96Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 2.92Å; E55-R58 VanDerWaalsContact O-N 3.11Å; E55-D59 PolarHBondContact O-N 3.32Å
56T83.6Confident82.2Confident72 Ų72107.5 Ų107.544%0.44253%0.526SS..Hα-helixtrans-58.1-46176.5-53.20000111.6M52 R58 D59 F60M52-T56 WeakPolarHBondContact O-CB 3.45Å; M52-T56 PolarHBondContact O-N 2.97Å; M52-T56 VanDerWaalsContact O-N 3.07Å; M52-T56 PolarHBondContact O-OG1 3.38Å; T56-R58 VanDerWaalsContact C-N 3.32Å; T56-R58 PolarHBondContact O-N 3.38Å; T56-D59 PolarHBondContact O-N 3.31Å; T56-F60 HydrophobicContact CG2-CD2 3.93Å; T56-F60 HydrophobicContact CG2-CE2 3.8Å; T56-F60 VanDerWaalsContact O-CD2 3.29Å; T56-F60 WeakPolarHBondContact O-CD2 3.43Å; T56-F60 PolarHBondContact O-N 3.14Å; T56-F60 VanDerWaalsContact O-N 3.08Å
57A82.4Confident80.7Confident46 Ų46109.5 Ų109.538%0.3853%0.53SS..Hα-helixtrans-63.8-36.417800000112.5C53 E55 F60 I61C53-A57 VanDerWaalsContact O-CB 3.32Å; C53-A57 WeakPolarHBondContact O-CB 3.32Å; C53-A57 PolarHBondContact O-N 3.21Å; E55-A57 PolarHBondContact O-N 2.96Å; A57-F60 PolarHBondContact O-N 2.74Å; A57-I61 VanDerWaalsContact O-CG1 3.25Å; A57-I61 WeakPolarHBondContact O-CG1 3.41Å; A57-I61 PolarHBondContact O-N 3.07Å
58R80.1Confident79.2Confident125 Ų125110.3 Ų110.347%0.47253%0.533SS..Hα-helixtrans-66.4-39.6177.5-168.6-175.2-69.6139.6-2.7111.4Q54 E55 T56 I61 K62Q54-R58 WeakPolarHBondContact O-CB 3.33Å; Q54-R58 PolarHBondContact O-N 3.45Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 2.92Å; E55-R58 VanDerWaalsContact O-N 3.11Å; T56-R58 VanDerWaalsContact C-N 3.32Å; T56-R58 PolarHBondContact O-N 3.38Å; R58-I61 PolarHBondContact O-N 3.01Å; R58-K62 WeakPolarHBondContact O-CG 3.38Å; R58-K62 PolarHBondContact O-N 2.95Å; R58-K62 VanDerWaalsContact O-N 3.09Å
59D80.4Confident77.9Confident91 Ų91108.3 Ų108.349%0.48753%0.534SS..Hα-helixtrans-68-42.2177.9-68.8-22.5000111.4E55 T56 I61 K62 E63E55-D59 PolarHBondContact O-N 3.32Å; T56-D59 PolarHBondContact O-N 3.31Å; D59-I61 PolarHBondContact O-N 3.04Å; D59-K62 PolarHBondContact O-N 3.44Å; D59-K62 IonicContact OD1-NZ 3.21Å; D59-E63 PolarHBondContact O-N 3.09Å; D59-E63 VanDerWaalsContact O-N 3.11Å
60F77.4Confident76.5Confident113 Ų113107.8 Ų107.850%0.49654%0.539SS..Hα-helixtrans-59.3-46172.3-87.5-69.4000112.7T56 A57 K62 E63 F64T56-F60 HydrophobicContact CG2-CD2 3.93Å; T56-F60 HydrophobicContact CG2-CE2 3.8Å; T56-F60 VanDerWaalsContact O-CD2 3.29Å; T56-F60 WeakPolarHBondContact O-CD2 3.43Å; T56-F60 PolarHBondContact O-N 3.14Å; T56-F60 VanDerWaalsContact O-N 3.08Å; A57-F60 PolarHBondContact O-N 2.74Å; F60-K62 VanDerWaalsContact C-N 3.29Å; F60-K62 PolarHBondContact O-N 3.01Å; F60-E63 PolarHBondContact O-N 3.42Å; F60-F64 VanDerWaalsContact O-CD2 3.31Å; F60-F64 WeakPolarHBondContact O-CD2 3.46Å; F60-F64 PolarHBondContact O-N 3.11Å
61I82.3Confident74.8Confident105 Ų105109.5 Ų109.554%0.53854%0.542SS..Hα-helixtrans-64.4-35.2-179.3-68.9166.9000111.5A57 R58 D59 R65A57-I61 VanDerWaalsContact O-CG1 3.25Å; A57-I61 WeakPolarHBondContact O-CG1 3.41Å; A57-I61 PolarHBondContact O-N 3.07Å; R58-I61 PolarHBondContact O-N 3.01Å; D59-I61 PolarHBondContact O-N 3.04Å; I61-R65 WeakPolarHBondContact O-CB 3.42Å; I61-R65 PolarHBondContact O-N 2.83Å
62K76.4Confident73Confident116 Ų116112.6 Ų112.650%0.50456%0.559SS.*Hα-helixtrans-64.3-48.4175.2-75.4173.5-177.9171.30111.3R58 D59 F60 F64 R65 E66R58-K62 WeakPolarHBondContact O-CG 3.38Å; R58-K62 PolarHBondContact O-N 2.95Å; R58-K62 VanDerWaalsContact O-N 3.09Å; D59-K62 PolarHBondContact O-N 3.44Å; D59-K62 IonicContact OD1-NZ 3.21Å; F60-K62 VanDerWaalsContact C-N 3.29Å; F60-K62 PolarHBondContact O-N 3.01Å; K62-F64 VanDerWaalsContact C-N 3.33Å; K62-F64 PolarHBondContact O-N 3.31Å; K62-R65 PolarHBondContact O-N 2.96Å; K62-E66 WeakPolarHBondContact O-CG 3.25Å; K62-E66 PolarHBondContact O-N 3.49Å
63E76.2Confident71.3Confident115 Ų115111.9 Ų111.954%0.53757%0.567SS.*Hα-helixtrans-58.6-44.9176.6-74.8-167.9147.300111.6D59 F60 R65 E66 Q67D59-E63 PolarHBondContact O-N 3.09Å; D59-E63 VanDerWaalsContact O-N 3.11Å; F60-E63 PolarHBondContact O-N 3.42Å; E63-R65 PolarHBondContact O-N 3.17Å; E63-E66 PolarHBondContact O-N 3.08Å; E63-Q67 WeakPolarHBondContact O-CB 3.29Å; E63-Q67 PolarHBondContact O-N 3.38Å
64F71.7Confident69.1Low128 Ų128115.9 Ų115.956%0.56158%0.577SS**Hα-helixtrans-62.5-40.9177.9-91.1-76.6000112.3F60 K62 Q67 E68F60-F64 VanDerWaalsContact O-CD2 3.31Å; F60-F64 WeakPolarHBondContact O-CD2 3.46Å; F60-F64 PolarHBondContact O-N 3.11Å; K62-F64 VanDerWaalsContact C-N 3.33Å; K62-F64 PolarHBondContact O-N 3.31Å; F64-Q67 PolarHBondContact O-N 3.29Å; F64-E68 WeakPolarHBondContact O-CB 3.31Å; F64-E68 PolarHBondContact O-N 2.98Å
65R74.4Confident66.8Low181 Ų181116.9 Ų116.968%0.68359%0.592SS**Hα-helixtrans-67.1-39.3177.8-171.8-176.1-67.1-177.9-1.5112.1I61 K62 E63 Q67 E68 S69I61-R65 WeakPolarHBondContact O-CB 3.42Å; I61-R65 PolarHBondContact O-N 2.83Å; K62-R65 PolarHBondContact O-N 2.96Å; E63-R65 PolarHBondContact O-N 3.17Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-E68 PolarHBondContact O-N 3.46Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 VanDerWaalsContact O-N 3.09Å
66E71Confident64.4Low133 Ų133119.3 Ų119.362%0.62161%0.608SS**Hα-helixtrans-63.9-43.4174.3-73.3178.4-179.800110.6K62 E63 E68 S69 S70K62-E66 WeakPolarHBondContact O-CG 3.25Å; K62-E66 PolarHBondContact O-N 3.49Å; E63-E66 PolarHBondContact O-N 3.08Å; E66-E68 PolarHBondContact O-N 3.37Å; E66-S69 PolarHBondContact O-N 2.04Å; E66-S69 PolarHBondContact O-OG 3.11Å; E66-S70 PolarHBondContact O-N 3.45Å
67Q60.4Low62.1Low123 Ų123124.9 Ų124.958%0.57563%0.629SS**Hα-helixtrans-64.8-38.1177.8-168.4174.2-14.900112.4E63 F64 R65 S69 S70 F71E63-Q67 WeakPolarHBondContact O-CB 3.29Å; E63-Q67 PolarHBondContact O-N 3.38Å; F64-Q67 PolarHBondContact O-N 3.29Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S70 PolarHBondContact O-N 3.38Å; Q67-F71 PolarHBondContact O-N 3.03Å; Q67-F71 VanDerWaalsContact O-N 3.07Å
68E59.8Low59.9Low148 Ų148127.5 Ų127.569%0.69265%0.651SS**Hα-helixtrans-66.3-35.7175.7-143.4-179.1160.700111.8F64 R65 E66 S70 F71 N72F64-E68 WeakPolarHBondContact O-CB 3.31Å; F64-E68 PolarHBondContact O-N 2.98Å; R65-E68 PolarHBondContact O-N 3.46Å; E66-E68 PolarHBondContact O-N 3.37Å; E68-S70 PolarHBondContact O-N 2.99Å; E68-F71 PolarHBondContact O-N 3.43Å; E68-N72 PolarHBondContact O-N 3.46Å
69S58Low57.6Low88 Ų88125 Ų12562%0.61566%0.664SS**Hα-helixtrans-67.7-32.5177.177.70000113.4R65 E66 Q67R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 VanDerWaalsContact O-N 3.09Å; E66-S69 PolarHBondContact O-N 2.04Å; E66-S69 PolarHBondContact O-OG 3.11Å; Q67-S69 VanDerWaalsContact C-N 3.33Å
70S55.7Low55.4Low97 Ų97131 Ų13168%0.67869%0.685SS**Hα-helixtrans-78.6-31172.8-89.30000113.2E66 Q67 E68 N72E66-S70 PolarHBondContact O-N 3.45Å; Q67-S70 PolarHBondContact O-N 3.38Å; E68-S70 PolarHBondContact O-N 2.99Å; S70-N72 VanDerWaalsContact C-N 3.31Å; S70-N72 PolarHBondContact O-N 3.31Å
71F51.7Low53.4Low149 Ų149129.5 Ų129.565%0.65469%0.694SS**Hα-helixtrans-74.4-21.1-176.4-156.9-99.2000113.4Q67 E68 A73 L76Q67-F71 PolarHBondContact O-N 3.03Å; Q67-F71 VanDerWaalsContact O-N 3.07Å; E68-F71 PolarHBondContact O-N 3.43Å; F71-A73 PolarHBondContact O-N 2.06Å; F71-L76 HydrophobicContact CE1-CD1 4.41Å; F71-L76 HydrophobicContact CZ-CD1 4.15Å
72N49.6Very low51.3Low154 Ų154132.3 Ų132.382%0.82471%0.708SS**THydrogen-bonded Turntrans-80.88.8179.4-140.65000114.3E68 S70E68-N72 PolarHBondContact O-N 3.46Å; S70-N72 VanDerWaalsContact C-N 3.31Å; S70-N72 PolarHBondContact O-N 3.31Å
73A46.8Very low49.5Very low71 Ų71132.5 Ų132.559%0.58772%0.719SS**SBendtrans-126.852.3177.500000112F71F71-A73 PolarHBondContact O-N 2.06Å
74Q38.6Very low47.3Very low173 Ų173136 Ų13681%0.80873%0.733SS**SBendtrans-175.1133.3146.9-102.2151.21200112.3
75P39.6Very low45.8Very low127 Ų127139.5 Ų139.583%0.82574%0.742SS**  trans-72141.5179.226.7-27.2000111.7E77P75-E77 PolarHBondContact O-N 3.45Å
76L36Very low43.9Very low150 Ų150140 Ų14079%0.78575%0.752SS**  trans-62.286.7-169.8-146.395.5000112.8F71F71-L76 HydrophobicContact CE1-CD1 4.41Å; F71-L76 HydrophobicContact CZ-CD1 4.15Å
77E36.2Very low42.6Very low189 Ų189138.7 Ų138.788%0.88375%0.753SS**  trans-91.2121.9163.7-86.9-75.7127.100109.6P75P75-E77 PolarHBondContact O-N 3.45Å
78A35Very low41.6Very low102 Ų102137.3 Ų137.384%0.84376%0.755SS**  trans-74.6129.9-167.600000112.6
79G32.7Very low41.1Very low72 Ų72135.7 Ų135.774%0.74276%0.757SS**SBendtrans127.8111.1152.500000115.2
80K33.3Very low40.3Very low216 Ų216138.6 Ų138.694%0.93976%0.761SS**  trans68.372.8157.4-92.1171.7173.2174.30116.6
81A35.5Very low39.9Very low82 Ų82139.3 Ų139.368%0.67877%0.765SS**  trans-141.497.2137.200000108.1V83A81-V83 HydrophobicContact CB-CG2 4.44Å; A81-V83 PolarHBondContact O-N 3.21Å
82I38Very low39.9Very low164 Ų164142.6 Ų142.684%0.84177%0.773SS**  trans-60.295150.9-63.3169.6000103K84I82-K84 PolarHBondContact O-N 3Å
83V38.9Very low40.2Very low121 Ų121141.4 Ų141.473%0.73377%0.767SS**  trans-58.695.8172.9173.50000104.6A81 R85A81-V83 HydrophobicContact CB-CG2 4.44Å; A81-V83 PolarHBondContact O-N 3.21Å; V83-R85 PolarHBondContact O-N 3.42Å
84K30.7Very low40.6Very low188 Ų188140 Ų14082%0.81775%0.752SS**  trans-54.9102.7162.4-83.5-179.4174.1178.20104.1I82 Q86I82-K84 PolarHBondContact O-N 3Å; K84-Q86 PolarHBondContact O-N 2.89Å
85R39.8Very low41.5Very low201 Ų201133.4 Ų133.476%0.75873%0.725SS**  trans-40107.6162.5-96.7175168.3173.8-5.9106.3V83 V87V83-R85 PolarHBondContact O-N 3.42Å; R85-V87 HydrophobicContact CB-CG2 4.35Å; R85-V87 PolarHBondContact O-N 3.34Å
86Q34.8Very low42.5Very low191 Ų191131.1 Ų131.189%0.89371%0.705SS**  trans-67.981160.1-80.1167.3-4.500104.6K84K84-Q86 PolarHBondContact O-N 2.89Å
87V42.8Very low43.7Very low107 Ų107128.6 Ų128.665%0.64870%0.698SS**  trans-57.8122.1158.6175.70000104.4R85R85-V87 HydrophobicContact CB-CG2 4.35Å; R85-V87 PolarHBondContact O-N 3.34Å
88P39.6Very low44.9Very low94 Ų94120.3 Ų120.361%0.6166%0.663SS**  trans-56.8136.3-172.321.6-31.5000109.2E90P88-E90 PolarHBondContact O-N 2.96Å
89P48.8Very low46.5Very low113 Ų113122.6 Ų122.673%0.73466%0.66SS**G310 helixtrans-72.29.3-167.528.8-33.6000114.5
90E41.7Very low48.4Very low149 Ų149122.3 Ų122.370%0.69665%0.651SS**G310 helixtrans-10218.1-170-67.1-168.812900115P88 R92P88-E90 PolarHBondContact O-N 2.96Å; E90-R92 PolarHBondContact O-N 2.89Å
91C48.2Very low50.4Low113 Ų113112.3 Ų112.376%0.76461%0.609SS**G310 helixtrans-77.47.1157.1-77.30000112.7D93C91-D93 VanDerWaalsContact C-N 3.35Å
92R50.8Low52.3Low217 Ų217112.5 Ų112.582%0.81960%0.604SS**G310 helixtrans-74.3-24.5173.7-107.8-178.6156.6-166.1-8.9113.2E90E90-R92 PolarHBondContact O-N 2.89Å
93D56Low54.1Low130 Ų130108.9 Ų108.970%0.69559%0.59SS**SBendtrans-98.8-4.1-172.4-60.1-47.2000114C91C91-D93 VanDerWaalsContact C-N 3.35Å
94C54.7Low56Low40 Ų40103.4 Ų103.427%0.2756%0.558SS.*  trans-93.815-175.6-104.20000115.1C280C94-C280 HydrophobicContact CB-CB 4.35Å; C94-C280 WeakPolarHBondContact CB-SG 3.5Å; C94-C280 WeakPolarHBondContact SG-CB 3.38Å; C94-C280 CovalentContact SG-SG 2.04Å; C94-C280 PolarHBondContact SG-SG 3.11Å
95C57.6Low58.4Low36 Ų36101 Ų10124%0.24355%0.553CS.*  trans-100.8109.7171.9-171.10000108.3P97 C143C95-P97 WeakPolarHBondContact O-CD 3.31Å; C95-C143 WeakPolarHBondContact CB-SG 3.46Å; C95-C143 WeakPolarHBondContact SG-CB 3.45Å; C95-C143 CovalentContact SG-SG 2.06Å; C95-C143 PolarHBondContact SG-SG 3.33Å
96L61.9Low60.1Low79 Ų7995.3 Ų95.341%0.41454%0.542SS..  trans-67.4114.2164.1-78.2165.4000107.3G98 I286 F288L96-G98 PolarHBondContact O-N 3.4Å; L96-I286 HydrophobicContact CD1-CD1 3.49Å; L96-I286 VanDerWaalsContact CD1-CD1 3.49Å; L96-I286 HydrophobicContact CD1-CG2 4.25Å; L96-I286 HydrophobicContact CD2-CD1 4.14Å; L96-I286 HydrophobicContact CG-CD1 3.64Å; L96-F288 HydrophobicContact CD1-CE1 4.38Å; L96-F288 HydrophobicContact CD1-CZ 3.66Å
97P60.7Low62Low97 Ų9786.6 Ų86.663%0.6350%0.503SS*.PPolyproline II helixtrans-56.9136.7174.7-19.532.5000108.7C95C95-P97 WeakPolarHBondContact O-CD 3.31Å
98G60.6Low63.5Low15 Ų1590.4 Ų90.416%0.15551%0.511CS..PPolyproline II helixtrans-56.1149.8170.300000109.8L96 A100 G146L96-G98 PolarHBondContact O-N 3.4Å; G98-A100 PolarHBondContact O-N 2.99Å; G98-G146 VanDerWaalsContact O-CA 3.25Å; G98-G146 WeakPolarHBondContact O-CA 3.25Å
99L69.1Low65.1Low149 Ų14990.8 Ų90.878%0.7851%0.508SS*.PPolyproline II helixtrans-49.5136.8177.5-68.2173.1000109.9G101 G271L99-G101 PolarHBondContact O-N 3.3Å; L99-G271 VanDerWaalsContact O-CA 3.31Å; L99-G271 WeakPolarHBondContact O-CA 3.31Å
100A72.3Confident65.8Low67 Ų6785.8 Ų85.855%0.55448%0.478SS*.PPolyproline II helixtrans-52.5141.5176.800000109.4G98G98-A100 PolarHBondContact O-N 2.99Å
101G74.9Confident67Low6 Ų689.4 Ų89.46%0.06249%0.485CS..PPolyproline II helixtrans-60.1161.2178.100000111.8L99 E147 G149 P269L99-G101 PolarHBondContact O-N 3.3Å; G101-E147 PolarHBondContact N-O 3.08Å; G101-G149 WeakPolarHBondContact O-CA 3.06Å; G101-P269 WeakPolarHBondContact CA-O 2.99Å
102P76.2Confident67.8Low86 Ų8688.6 Ų88.656%0.55848%0.478SS*.PPolyproline II helixtrans-56149.4173.824.8-33.3000110.4G268 P269P102-G268 WeakPolarHBondContact O-CA 3.04Å; P102-P269 HydrophobicContact CG-CG 4.11Å
103P76.4Confident68.1Low87 Ų8778.7 Ų78.757%0.56544%0.444SS*.PPolyproline II helixtrans-52.4148.6177.2-25.133.1000111.9
104G79.1Confident68.2Low6 Ų683 Ų836%0.06245%0.45CS..PPolyproline II helixtrans-56.4156174.600000112.9P150 G152 P266G104-P150 PolarHBondContact N-O 3.09Å; G104-P150 VanDerWaalsContact N-O 3.09Å; G104-G152 WeakPolarHBondContact O-CA 2.78Å; G104-P266 WeakPolarHBondContact CA-O 3.02Å
105I79.5Confident68.4Low139 Ų13984.3 Ų84.371%0.71346%0.458SS*.PPolyproline II helixtrans-59.4140.1172-49.7167.5000107.7G265I105-G265 WeakPolarHBondContact O-CA 3.18Å
106P76.3Confident68.1Low81 Ų8184.6 Ų84.653%0.52647%0.467SS..PPolyproline II helixtrans-49.6143.6177.7-28.534.7000112.6P153P106-P153 WeakPolarHBondContact CA-O 3.02Å; P106-P153 HydrophobicContact CB-CG 4.34Å; P106-P153 HydrophobicContact CG-CG 4.14Å
107G75.2Confident67.9Low7 Ų786.6 Ų86.67%0.07248%0.482CS..PPolyproline II helixtrans-59.1153.9177.200000111.7N109 P153 G155 P263 G265G107-N109 PolarHBondContact O-N 3.36Å; G107-P153 PolarHBondContact N-O 2.7Å; G107-P153 VanDerWaalsContact N-O 3.09Å; G107-G155 WeakPolarHBondContact O-CA 3.35Å; G107-P263 WeakPolarHBondContact CA-O 3.44Å; G107-G265 VanDerWaalsContact CA-CA 3.47Å
108K73Confident67.5Low188 Ų18887.4 Ų87.482%0.81749%0.487SS*.PPolyproline II helixtrans-58.5141.6173.6-65.8-177.2179.4-178.30109.3
109N73.3Confident66.8Low101 Ų10190.2 Ų90.254%0.5452%0.517SS..PPolyproline II helixtrans-51.5145.6179.1-68.85.8000111.2G107 E156G107-N109 PolarHBondContact O-N 3.36Å; N109-E156 PolarHBondContact OD1-N 3.09Å
110G63.8Low65.7Low9 Ų989 Ų899%0.09352%0.518CS..PPolyproline II helixtrans-53.5143.8175.100000110.8E156 G158 A260G110-E156 PolarHBondContact N-O 3.46Å; G110-G158 WeakPolarHBondContact O-CA 3.18Å; G110-A260 WeakPolarHBondContact CA-O 3.36Å
111R67.6Low64.3Low225 Ų22592.2 Ų92.285%0.84953%0.533SS*.PPolyproline II helixtrans-57.9142.8173.2-78.4-175.8179.1-168-1.1109G259R111-G259 WeakPolarHBondContact O-CA 3.49Å
112P64.7Low62.4Low96 Ų9695 Ų9562%0.62356%0.562SS**PPolyproline II helixtrans-49.5144.1174.8-26.733.9000111.7
113G56.8Low60.4Low9 Ų9100.8 Ų100.89%0.09358%0.579CS.*PPolyproline II helixtrans-55.3145.2177.400000111.3N159 G161 S257G113-N159 PolarHBondContact N-O 3.38Å; G113-G161 WeakPolarHBondContact O-CA 3.44Å; G113-S257 WeakPolarHBondContact CA-O 3.15Å
114R58.6Low58.6Low219 Ų219102.8 Ų102.883%0.82659%0.592SS**PPolyproline II helixtrans-66.9139.1175.2-72.9-174179.7-146.51.7109.2
115P59.3Low56.7Low68 Ų68105.8 Ų105.844%0.44262%0.623SS.*PPolyproline II helixtrans-53.4141.8166.2-21.631.5000110.3V117 P162P115-V117 PolarHBondContact O-N 3.03Å; P115-P162 HydrophobicContact CG-CG 4.16Å
116G50.2Low54.7Low42 Ų42107.6 Ų107.643%0.43363%0.633SS.*PPolyproline II helixtrans-54.5132.8-178.800000111.9
117V58.9Low53.3Low121 Ų121109 Ų10973%0.73364%0.642SS**PPolyproline II helixtrans-103.6131.1-170.8-150.40000110.3P115P115-V117 PolarHBondContact O-N 3.03Å
118P51.5Low52.1Low114 Ų114114 Ų11474%0.7467%0.673SS**PPolyproline II helixtrans-59.5140.4166.5-23.534.5000111.7
119G46.6Very low51Low75 Ų75111.3 Ų111.377%0.77368%0.675SS**PPolyproline II helixtrans-68.6160.4-163.200000117.1
120P44.9Very low49.2Very low123 Ų123115.1 Ų115.180%0.79969%0.689SS**  trans-121.4167.9-153.540.3-26.4000115.6
121P43Very low47.9Very low134 Ų134121.9 Ų121.987%0.8772%0.722SS**  trans-113.1131.6146.43.517.6000111.9
122G35Very low46.2Very low66 Ų66116.1 Ų116.168%0.6872%0.715SS**  trans-92.3-164.6-178.100000114.5
123F34.1Very low45.5Very low207 Ų207119.9 Ų119.991%0.90873%0.728SS**  cis-159.3143.5-14.1-98.5-79.8000106.3
124P39.2Very low44.3Very low128 Ų128126 Ų12683%0.83176%0.757SS**  trans-115.8156.416424-6000113.5
125G39.5Very low43.3Very low69 Ų69124.4 Ų124.471%0.71176%0.759SS**  trans-93.5-173.3-177.400000115.6
126L38.1Very low41.9Very low177 Ų177130.6 Ų130.693%0.92778%0.779SS**  trans170.3168.9139.4-111.791.2000110.5
127P46.1Very low42Very low110 Ų110133.8 Ų133.871%0.71479%0.792SS**  trans-113.5-150.2-15151.4-41.9000112.6
128P50.4Low41.3Very low112 Ų112132.5 Ų132.573%0.72779%0.786SS**  trans-107.6163.1-131.726.7-3.1000114.1
129P49.6Very low41Very low133 Ų133132.2 Ų132.286%0.86478%0.784SS**  trans-92.7145.5179.234.1-31.4000114.1
130E36.3Very low40.7Very low180 Ų180135.3 Ų135.384%0.84179%0.793SS**  trans-89.5147.8179.2-74.6-179.8139.300114.7
131I34.9Very low40.8Very low151 Ų151137 Ų13777%0.77479%0.787SS**  trans0.8150.9142.8-18.2176.1000122.3
132C32.1Very low41.5Very low105 Ų105136.1 Ų136.171%0.70978%0.782SS**  trans104.3123.6139.8-84.90000119
133I49.8Very low42.2Very low174 Ų174134.2 Ų134.289%0.89276%0.758SS**  trans-149.8130139.8-35.2172.4000110.8
134I33.1Very low43.3Very low137 Ų137128.8 Ų128.870%0.70374%0.743SS**  trans-100.3158.7175.6-65.3165.3000109.1
135Q36.3Very low44.3Very low186 Ų186129.5 Ų129.587%0.86973%0.73SS**  158.8141.6127.5-73.3-94.264.300114.5
136K30.8Very low45.6Very low198 Ų198126.3 Ų126.386%0.86170%0.696SS**  trans-82.3170.4-173.5-109.8177.3174.3171.70114.5
137P51.3Low47.3Very low110 Ų110125.4 Ų125.471%0.71469%0.687SS**  trans-98.8152.5-161.738.6-34.4000115.7
138P45.3Very low48.5Very low93 Ų93123.5 Ų123.560%0.60468%0.675SS**  trans-115.8171.516942.1-30.6000112.9
139P43.7Very low49.7Very low108 Ų108118.2 Ų118.270%0.70164%0.641SS**SBendtrans-79.6168.9-150.833.3-35000115.5K141P139-K141 WeakPolarHBondContact O-CG 3.46Å; P139-K141 PolarHBondContact O-N 3.28Å; P139-K141 VanDerWaalsContact O-N 3.09Å
140C41.7Very low50.9Low140 Ų140115.6 Ų115.695%0.94662%0.624SS**  trans-41.5103.4-166.4-53.30000114.1
141K47Very low52.9Low158 Ų158110.7 Ų110.769%0.68761%0.608SS**  trans-97.8146.9179.4-79.5170.5-172.2-1770110.2P139P139-K141 WeakPolarHBondContact O-CG 3.46Å; P139-K141 PolarHBondContact O-N 3.28Å; P139-K141 VanDerWaalsContact O-N 3.09Å
142P57.2Low54.9Low117 Ų117103.6 Ų103.676%0.7657%0.571SS**SBendtrans-44143173.2-26.332.4000111.3P144P142-P144 VanDerWaalsContact O-N 3.16Å
143C49.7Very low57Low25 Ų25102.1 Ų102.117%0.16956%0.561CS.*  trans-38121.6-176.2-96.40000110.4C95 R145 C276C95-C143 WeakPolarHBondContact CB-SG 3.46Å; C95-C143 WeakPolarHBondContact SG-CB 3.45Å; C95-C143 CovalentContact SG-SG 2.06Å; C95-C143 PolarHBondContact SG-SG 3.33Å; C143-R145 PolarHBondContact O-N 2.92Å; C143-C276 PolarHBondContact SG-SG 2.97Å
144P56.4Low58.2Low93 Ų9396.1 Ų96.160%0.60453%0.533SS*.PPolyproline II helixtrans-56.8137.6-175.722.7-31.3000108.5P142 G146P142-P144 VanDerWaalsContact O-N 3.16Å; P144-G146 PolarHBondContact O-N 3.33Å
145R62.1Low60.2Low144 Ų14489.8 Ų89.854%0.54350%0.501SS..BIsolated β-bridgetrans-53.8139.5167.8-171.1176.9-89.6-177.3-4.9107.6C143 G271C143-R145 PolarHBondContact O-N 2.92Å; R145-G271 WeakPolarHBondContact CD-O 3.46Å; R145-G271 WeakPolarHBondContact CG-O 3.35Å
146G65.3Low62Low1 Ų187.8 Ų87.81%0.0149%0.492CS..PPolyproline II helixtrans-46.7145.1179.100000111.2G98 P144 G271 E272G98-G146 VanDerWaalsContact O-CA 3.25Å; G98-G146 WeakPolarHBondContact O-CA 3.25Å; P144-G146 PolarHBondContact O-N 3.33Å; G146-G271 PolarHBondContact O-N 3.18Å; G146-E272 PolarHBondContact N-O 2.97Å
147E73.3Confident64.1Low158 Ų15883.3 Ų83.374%0.73848%0.476SS*.PPolyproline II helixtrans-50144.8-177.4-66.9-168.8142.800110.6G101 G149G101-E147 PolarHBondContact N-O 3.08Å; E147-G149 PolarHBondContact O-N 3.45Å
148P72.9Confident64.7Low71 Ų7178.4 Ų78.446%0.46145%0.445SS..BIsolated β-bridgetrans-47.3132.9170.6-25.834.6000110.1P267P148-P267 HydrophobicContact CB-CB 4.09Å
149G74.9Confident65.8Low1 Ų180.5 Ų80.51%0.0145%0.452CS..PPolyproline II helixtrans-52.4150.3174.100000110.7G101 E147 G268G101-G149 WeakPolarHBondContact O-CA 3.06Å; E147-G149 PolarHBondContact O-N 3.45Å; G149-G268 PolarHBondContact O-N 3.09Å
150P75.9Confident67.2Low78 Ų7878.2 Ų78.251%0.50644%0.442SS..PPolyproline II helixtrans-53.8150.9-178.623.4-33.6000111G104 G152G104-P150 PolarHBondContact N-O 3.09Å; G104-P150 VanDerWaalsContact N-O 3.09Å; P150-G152 PolarHBondContact O-N 3.22Å
151P77.1Confident68.1Low77 Ų7771.8 Ų71.850%0.540%0.399SS..PPolyproline II helixtrans-47.8136.6174.4-27.935.1000111.3P264 G265P151-P264 HydrophobicContact CB-CB 4.15Å; P151-G265 WeakPolarHBondContact CB-O 3.09Å
152G77Confident68.8Low1 Ų168.5 Ų68.51%0.0139%0.394CS..PPolyproline II helixtrans-56.3151.9175.700000111.2G104 P150 G265G104-G152 WeakPolarHBondContact O-CA 2.78Å; P150-G152 PolarHBondContact O-N 3.22Å; G152-G265 PolarHBondContact O-N 3.21Å
153P75.4Confident69.3Low75 Ų7566.8 Ų66.849%0.48738%0.383SS..PPolyproline II helixtrans-54.8147.9179.124.3-33.4000110.4P106 G107P106-P153 WeakPolarHBondContact CA-O 3.02Å; P106-P153 HydrophobicContact CB-CG 4.34Å; P106-P153 HydrophobicContact CG-CG 4.14Å; G107-P153 PolarHBondContact N-O 2.7Å; G107-P153 VanDerWaalsContact N-O 3.09Å
154P76.7Confident69.8Low48 Ų4866.4 Ų66.431%0.31238%0.383SS..PPolyproline II helixtrans-62.5142.5-180-1.29.2000110.5K261 G262 P264P154-K261 HydrophobicContact CB-CD 3.78Å; P154-K261 HydrophobicContact CB-CG 4.03Å; P154-K261 HydrophobicContact CG-CD 4.06Å; P154-K261 WeakPolarHBondContact O-CE 3.37Å; P154-G262 WeakPolarHBondContact CB-O 3.03Å; P154-P264 HydrophobicContact CB-CG 4.47Å; P154-P264 HydrophobicContact CG-CG 4.37Å
155G74.2Confident70Confident3 Ų367.8 Ų67.83%0.03139%0.392CS..PPolyproline II helixtrans-58.9163.5-176.800000113G107 K261 G262G107-G155 WeakPolarHBondContact O-CA 3.35Å; G155-K261 WeakPolarHBondContact O-CE 3.23Å; G155-K261 WeakPolarHBondContact O-CG 3.43Å; G155-G262 PolarHBondContact O-N 3.14Å
156E74.7Confident70.1Confident145 Ų14567.4 Ų67.468%0.67840%0.396SS*.PPolyproline II helixtrans-62.5156.1-177.7-64.8-170.2147.500112.3N109 G110 G158N109-E156 PolarHBondContact OD1-N 3.09Å; G110-E156 PolarHBondContact N-O 3.46Å; E156-G158 PolarHBondContact O-N 2.85Å
157I74Confident69.9Low104 Ų10470 Ų7053%0.53342%0.424SS..PPolyproline II helixtrans-61.7131.1176.5-66.5175.6000108.1P258 G259 K261I157-P258 HydrophobicContact CG2-CB 3.38Å; I157-G259 VanDerWaalsContact CG2-O 3.23Å; I157-G259 WeakPolarHBondContact CG2-O 3.1Å; I157-K261 HydrophobicContact CG1-CB 4.43Å; I157-K261 HydrophobicContact CG1-CG 4.49Å
158G65.4Low69.3Low6 Ų668.3 Ų68.36%0.06243%0.426CS..BIsolated β-bridgetrans-67.2143179.400000111.3G110 E156 G259G110-G158 WeakPolarHBondContact O-CA 3.18Å; E156-G158 PolarHBondContact O-N 2.85Å; G158-G259 PolarHBondContact N-O 3.07Å; G158-G259 PolarHBondContact O-N 3.4Å
159N68.1Low68.9Low138 Ų13871 Ų7174%0.73844%0.444SS*.PPolyproline II helixtrans-55.1151178-68.7-30.8000112.2G113G113-N159 PolarHBondContact N-O 3.38Å
160A72.1Confident68.2Low59 Ų5974.2 Ų74.249%0.48848%0.477SS..PPolyproline II helixtrans-54.7140.3175.600000111.3G256A160-G256 WeakPolarHBondContact CA-O 3.49Å; A160-G256 WeakPolarHBondContact CB-O 3.47Å
161G59.9Low67.2Low5 Ų580.3 Ų80.35%0.05250%0.495CS..PPolyproline II helixtrans-70.9152.6174.300000111.4G113 G256G113-G161 WeakPolarHBondContact O-CA 3.44Å; G161-G256 PolarHBondContact O-N 3.04Å
162P62.7Low66.3Low89 Ų8984.2 Ų84.258%0.57851%0.512SS*.PPolyproline II helixtrans-61.8153.8179.126-34.9000112.3P115P115-P162 HydrophobicContact CG-CG 4.16Å
163P66.9Low65.2Low81 Ų8187.6 Ų87.653%0.52655%0.547SS..PPolyproline II helixtrans-56.1145.9178.1-26.234.7000113.4
164G61Low63.9Low17 Ų1792.5 Ų92.518%0.17557%0.568CS.*PPolyproline II helixtrans-67.3152.9178.300000113
165P60.2Low62.9Low123 Ų12398 Ų9880%0.79960%0.595SS**PPolyproline II helixtrans-67155.9178.328.4-34.3000112.4
166H63.7Low61.8Low135 Ų135101 Ų10163%0.62563%0.626SS**PPolyproline II helixtrans-63.2144.7-179.2-77.485.1000112.8V249H166-V249 WeakPolarHBondContact CD2-CG1 3.11Å; H166-V249 WeakPolarHBondContact NE2-CG1 3.43Å
167G62.5Low60.8Low57 Ų57100.5 Ų100.559%0.58864%0.635SS**PPolyproline II helixtrans-67.8155.6177.200000113.3
168P60.9Low60.1Low122 Ų122102.7 Ų102.779%0.79265%0.653SS**PPolyproline II helixtrans-69.3155.2-177.128.4-34.5000112.9
169P63Low59.7Low128 Ų128105.1 Ų105.183%0.83168%0.678SS**PPolyproline II helixtrans-59.2150177.5-23.934.2000114.1
170G60.1Low59.1Low68 Ų68105 Ų10570%0.70169%0.685SS**PPolyproline II helixtrans-64.1151.2176.400000113.1
171K54.5Low58.6Low205 Ų205111.4 Ų111.489%0.89170%0.704SS**PPolyproline II helixtrans-76.3146.6-178.961.2-179.1108.21750112.4
172D59Low58.3Low159 Ų159114 Ų11485%0.8573%0.731SS**PPolyproline II helixtrans-61147.2-178.4-62.9-39.3000113.2
173G53.7Low58.1Low72 Ų72119.4 Ų119.474%0.74275%0.746SS**PPolyproline II helixtrans-69.9151.5-179.900000113.5
174L48.8Very low57.8Low178 Ų178121.7 Ų121.793%0.93276%0.761SS**PPolyproline II helixtrans-73.2145.2-178.8-65.6170.8000112.3
175N54.4Low57.6Low164 Ų164124 Ų12488%0.87779%0.785SS**PPolyproline II helixtrans-62.1143.3179.6-67-18.8000112.3
176G53Low57.5Low67 Ų67124 Ų12469%0.69179%0.785SS**PPolyproline II helixtrans-70.5161.8-178.700000114.6
177P51.8Low57.4Low134 Ų134123.8 Ų123.887%0.8780%0.795SS**PPolyproline II helixtrans-71.5154.1-175.328.8-34.6000113.8
178V60.5Low57.2Low149 Ų149124.1 Ų124.190%0.90380%0.799SS**PPolyproline II helixtrans-66.4139.5-179-178.80000111.6
179G57.5Low57.2Low57 Ų57124.8 Ų124.859%0.58880%0.803SS**PPolyproline II helixtrans-70.3161.7-17900000114.7
180P54.5Low57.1Low135 Ų135128.1 Ų128.188%0.87780%0.799SS**PPolyproline II helixtrans-75.4157.5-174.130.4-35.1000114.3
181E61.4Low57.1Low194 Ų194127.2 Ų127.291%0.90779%0.79SS**PPolyproline II helixtrans-66.7146.3-177-167.3177.8171.100113.7
182G55.2Low57.4Low60 Ų60123.2 Ų123.262%0.61979%0.785SS**PPolyproline II helixtrans-72.9155.1-177.700000114.6
183K56.7Low57.5Low203 Ų203121.7 Ų121.788%0.88378%0.784SS**PPolyproline II helixtrans-78150.7-176.3-65.9-176.7-179.2-179.70113.2
184P61.6Low57.8Low128 Ų128121.3 Ų121.383%0.83178%0.78SS**PPolyproline II helixtrans-60.7148.6176.6-23.834.2000114.3
185G56.4Low58.2Low67 Ų67121.3 Ų121.369%0.69178%0.779SS**PPolyproline II helixtrans-75163.3-178.900000114.9
186P58Low58.4Low123 Ų123121.9 Ų121.980%0.79977%0.774SS**PPolyproline II helixtrans-74.8159.3-174.129.8-35000114.1
187P61.6Low58.7Low130 Ų130121.1 Ų121.184%0.84477%0.766SS**PPolyproline II helixtrans-62.2147.2178.6-22.133.6000114.1
188G58.8Low58.8Low64 Ų64120.5 Ų120.566%0.6677%0.765SS**PPolyproline II helixtrans-70161.2-179.100000114.9
189P60Low58.6Low135 Ų135117.4 Ų117.488%0.87776%0.755SS**PPolyproline II helixtrans-72.8156.1-175.629.1-34.5000113.8
190R61Low58.5Low199 Ų199117.5 Ų117.575%0.75176%0.756SS**PPolyproline II helixtrans-68.7136-179.4178.2173.4166.2-170-12.1111.9
191G60.3Low58.3Low49 Ų49116.7 Ų116.751%0.50575%0.754SS.*PPolyproline II helixtrans-66160.5-179.100000115.2
192P62Low58Low121 Ų121112.8 Ų112.879%0.78675%0.745SS**PPolyproline II helixtrans-72.7160.8-172.929-35000114.1
193P61.5Low57.9Low127 Ų127112.7 Ų112.783%0.82574%0.739SS**PPolyproline II helixtrans-62.6146.8176.5-20.733.1000113.4
194G59.1Low57.9Low64 Ų64108.8 Ų108.866%0.6673%0.734SS**PPolyproline II helixtrans-67.6157.3178.900000113.8
195L57.5Low57.5Low177 Ų177110.6 Ų110.693%0.92774%0.737SS**PPolyproline II helixtrans-73.3147.2-177.7-65.4171.7000112.3
196K59.2Low57.3Low176 Ų176113.5 Ų113.577%0.76574%0.735SS**PPolyproline II helixtrans-65.8134.6180-171.8176.6-178.7178.40110.9
197G57.4Low57.3Low51 Ų51113.2 Ų113.253%0.52673%0.733SS.*PPolyproline II helixtrans-62.3145.1178.500000112.7
198S54.3Low57.1Low121 Ų121110.4 Ų110.485%0.84672%0.721SS**PPolyproline II helixtrans-69.3140.6177.946.70000111.6
199A55.8Low57Low84 Ų84113.4 Ų113.469%0.69473%0.726SS**PPolyproline II helixtrans-62.1140.3179.300000111.6
200G55.7Low57Low59 Ų59112 Ų11261%0.60872%0.717SS**PPolyproline II helixtrans-66.6144.8178.200000112.4
201S51Low56.9Low118 Ų118104.8 Ų104.883%0.82571%0.705SS**PPolyproline II helixtrans-59.2131.5-179.4-42.10000111.5A203S201-A203 PolarHBondContact O-N 3.43Å
202P54.6Low56.7Low112 Ų112109.6 Ų109.673%0.72772%0.719SS**PPolyproline II helixtrans-70.9128.1-176.125.5-32.1000112
203A53.3Low56.5Low59 Ų59109.1 Ų109.149%0.48872%0.716SS.*PPolyproline II helixtrans-88.1144.8166.800000109.9S201 N205S201-A203 PolarHBondContact O-N 3.43Å; A203-N205 PolarHBondContact O-N 3.32Å
204P56.1Low56.4Low120 Ų120105.2 Ų105.278%0.77970%0.699SS**THydrogen-bonded Turntrans-66.3121.8-174.83.27.6000109.7
205N54.9Low56.2Low166 Ų166108.4 Ų108.489%0.88871%0.707SS**THydrogen-bonded Turntrans86.421.6175.2-52.5-27.6000118.6A203A203-N205 PolarHBondContact O-N 3.32Å
206I52.2Low56.3Low129 Ų129108.8 Ų108.866%0.66270%0.697SS**SBendtrans-133.9126.7164.9-32.8173.5000109.9A208I206-A208 PolarHBondContact O-N 3.48Å
207P56.8Low56.3Low116 Ų116102.2 Ų102.275%0.75368%0.679SS**  trans-59.2129.4177.9-22.632.7000111.7V209P207-V209 PolarHBondContact O-N 3.09Å; P207-V209 VanDerWaalsContact O-N 3.15Å
208A58.2Low56.3Low71 Ų71105.4 Ų105.459%0.58769%0.69SS**  trans-64.9111.2179.900000110.6I206I206-A208 PolarHBondContact O-N 3.48Å
209V55.7Low56.6Low128 Ų128105.3 Ų105.378%0.77669%0.687SS**PPolyproline II helixtrans-77.6130.1172.8-177.60000108.4P207 G211P207-V209 PolarHBondContact O-N 3.09Å; P207-V209 VanDerWaalsContact O-N 3.15Å; V209-G211 PolarHBondContact O-N 2.84Å
210P60.9Low56.7Low104 Ų104103.9 Ų103.968%0.67568%0.68SS**PPolyproline II helixtrans-56.2126.4174.4-24.534000110.9
211G58Low56.7Low48 Ų48106.8 Ų106.850%0.49569%0.689SS.*PPolyproline II helixtrans-62.1141.8177.600000111.8V209V209-G211 PolarHBondContact O-N 2.84Å
212D55.9Low57.1Low151 Ų151107.3 Ų107.381%0.80769%0.689SS**PPolyproline II helixtrans-55.7149.9177-76-49.5000111.8G214D212-G214 PolarHBondContact O-N 2.75Å
213P59.5Low57.2Low111 Ų111104.8 Ų104.872%0.72168%0.683SS**PPolyproline II helixtrans-51.3124.8173-24.533.6000110.8
214G59.3Low57.2Low45 Ų45107.7 Ų107.746%0.46470%0.697SS.*PPolyproline II helixtrans-57.7153176.900000111.7D212D212-G214 PolarHBondContact O-N 2.75Å
215P54.4Low57.4Low130 Ų130108.1 Ų108.184%0.84470%0.7SS**PPolyproline II helixtrans-57.6145.2-179.523.6-32.8000111G217P215-G217 PolarHBondContact O-N 2.82Å; P215-G217 VanDerWaalsContact O-N 3.14Å
216R59.3Low57.3Low186 Ų186103.6 Ų103.670%0.70269%0.693SS**PPolyproline II helixtrans-50.3121.5176.5173.8175.4167.4-170-10.3109.4
217G58.2Low57.2Low38 Ų38106.3 Ų106.339%0.39270%0.702SS.*PPolyproline II helixtrans-56.7152.7176.300000112.1P215P215-G217 PolarHBondContact O-N 2.82Å; P215-G217 VanDerWaalsContact O-N 3.14Å
218P57.8Low57.2Low118 Ų118106.6 Ų106.677%0.76670%0.704SS**PPolyproline II helixtrans-57.2154.4179.324.3-33.2000111.1G220P218-G220 PolarHBondContact O-N 3.39Å
219P60.3Low56.9Low118 Ų118106.5 Ų106.577%0.76671%0.71SS**PPolyproline II helixtrans-48.8131.9170.9-24.233.6000110.1
220G58Low56.5Low54 Ų54111.3 Ų111.356%0.55772%0.715SS**PPolyproline II helixtrans-56.9154.4173.900000110.7P218P218-G220 PolarHBondContact O-N 3.39Å
221P55.9Low56.3Low121 Ų121112.4 Ų112.479%0.78672%0.721SS**PPolyproline II helixtrans-55.5151.7177.424.3-33.3000110.5G223P221-G223 PolarHBondContact O-N 3.09Å
222P60.1Low56.1Low129 Ų129112.9 Ų112.984%0.83873%0.726SS**PPolyproline II helixtrans-47.7132.2172.3-25.934000110
223G56.9Low55.6Low59 Ų59110.3 Ų110.361%0.60873%0.726SS**PPolyproline II helixtrans-55.3151.3174.400000110.3P221P221-G223 PolarHBondContact O-N 3.09Å
224P53.2Low55.3Low120 Ų120112.6 Ų112.678%0.77973%0.732SS**PPolyproline II helixtrans-54.5150.617624.3-33.2000110.2G226P224-G226 PolarHBondContact O-N 3.05Å
225P59.5Low55Low129 Ų129113.6 Ų113.684%0.83874%0.742SS**PPolyproline II helixtrans-46.7132.2173.8-26.133.6000109.9Q227P225-Q227 PolarHBondContact O-N 3.38Å
226G53.2Low54.5Low71 Ų71115.7 Ų115.773%0.73274%0.743SS**PPolyproline II helixtrans-52140.7174.900000109.4P224P224-G226 PolarHBondContact O-N 3.05Å
227Q49.5Very low54.4Low185 Ų185112.8 Ų112.886%0.86475%0.749SS**PPolyproline II helixtrans-52.1143.6173.7-71-178.527.900109P225 G229P225-Q227 PolarHBondContact O-N 3.38Å; Q227-G229 PolarHBondContact O-N 3.48Å
228P58.4Low54.2Low122 Ų122114.3 Ų114.379%0.79276%0.764SS**  trans-44.7130.8172.9-27.634.2000109.3R230P228-R230 PolarHBondContact O-N 3.21Å
229G51.5Low53.7Low69 Ų69113.4 Ų113.471%0.71177%0.766SS**  trans-50135174.800000108.1Q227Q227-G229 PolarHBondContact O-N 3.48Å
230R47Very low53.2Low230 Ų230116.4 Ų116.487%0.86877%0.77SS**  trans-50.9140.1171.5-72.1-175.7176178.5-1.5107.4P228 G232P228-R230 PolarHBondContact O-N 3.21Å; R230-G232 PolarHBondContact O-N 2.86Å; R230-G232 VanDerWaalsContact O-N 3.11Å
231P56.9Low52.9Low126 Ų126116.2 Ų116.282%0.81877%0.769SS**  trans-42.9127.5172-27.834.1000108.2A233P231-A233 PolarHBondContact O-N 3.05Å
232G52.7Low52.5Low58 Ų58116.1 Ų116.160%0.59877%0.768SS**  trans-49.1132.5175.500000107.3R230 D234R230-G232 PolarHBondContact O-N 2.86Å; R230-G232 VanDerWaalsContact O-N 3.11Å; G232-D234 PolarHBondContact O-N 3.04Å
233A47Very low52.1Low97 Ų97115.6 Ų115.680%0.80276%0.764SS**  trans-48.7132.7175.100000107.5P231 G235P231-A233 PolarHBondContact O-N 3.05Å; A233-G235 PolarHBondContact O-N 2.91Å
234D53.3Low51.7Low159 Ų159115.7 Ų115.785%0.8577%0.766SS**  trans-40.9118.3-179.4-68.1-39.3000107.8G232 M236G232-D234 PolarHBondContact O-N 3.04Å; D234-M236 PolarHBondContact O-N 3.35Å; D234-M236 VanDerWaalsContact O-N 3.08Å
235G51Low51.3Low66 Ų66116.1 Ų116.168%0.6877%0.769SS**  trans-50.1126.6-179.700000107A233 P237A233-G235 PolarHBondContact O-N 2.91Å; G235-P237 VanDerWaalsContact O-N 3.14Å
236M44.3Very low50.7Low175 Ų175117.8 Ų117.886%0.86277%0.767SS**  trans-45.4130.2178.9-72.8-170.872.200107.3D234 G238D234-M236 PolarHBondContact O-N 3.35Å; D234-M236 VanDerWaalsContact O-N 3.08Å; M236-G238 PolarHBondContact O-N 3.45Å
237P57.1Low50.6Low125 Ų125116.5 Ų116.581%0.81275%0.754SS**  trans-44.2120.9-179.4-29.233.7000108.2G235 A239G235-P237 VanDerWaalsContact O-N 3.14Å; P237-A239 PolarHBondContact O-N 3.41Å
238G53.7Low50.6Low70 Ų70113.8 Ų113.872%0.72275%0.752SS**  trans-49131.5177.100000107.2M236 Q240M236-G238 PolarHBondContact O-N 3.45Å; G238-Q240 PolarHBondContact O-N 3.37Å; G238-Q240 VanDerWaalsContact O-N 3.09Å
239A47.3Very low50.3Low98 Ų98112.2 Ų112.281%0.8174%0.74SS**  trans-46.1127.3-178.900000107.9P237 G241P237-A239 PolarHBondContact O-N 3.41Å; A239-G241 PolarHBondContact O-N 2.91Å
240Q51.1Low50.5Low181 Ų181110.7 Ų110.785%0.84672%0.724SS**  trans-45.6117.7-180-178.5178.53200107.2G238G238-Q240 PolarHBondContact O-N 3.37Å; G238-Q240 VanDerWaalsContact O-N 3.09Å
241G50.5Low50.8Low51 Ų51105.3 Ų105.353%0.52672%0.719SS.*  trans-52.4139.2175.100000107.7A239A239-G241 PolarHBondContact O-N 2.91Å
242P47.4Very low50.8Low119 Ų119104.2 Ų104.277%0.77371%0.712SS**  trans-50.7141179.822.3-32.7000108.7G244P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.14Å
243P52.6Low51Low117 Ų117103 Ų10376%0.7670%0.7SS**  trans-44.6128.4176.2-28.234000109.1
244G48.1Very low51.3Low62 Ų62101.3 Ų101.364%0.63969%0.691SS**  trans-51142.3173.500000108.5P242 M246P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.14Å; G244-M246 PolarHBondContact O-N 3.31Å
245P45.6Very low51.7Low129 Ų129100 Ų10084%0.83869%0.685SS**  trans-51.6135.2-179.722.4-32.6000108.6G247P245-G247 PolarHBondContact O-N 3.33Å
246M47.2Very low51.9Low164 Ų16497.1 Ų97.181%0.80866%0.655SS**  trans-45.6120.4175-178177.77200107.6G244 V249G244-M246 PolarHBondContact O-N 3.31Å; M246-V249 HydrophobicContact CE-CG2 4.26Å
247G49.6Very low52.9Low44 Ų4493.4 Ų93.445%0.45465%0.646SS.*PPolyproline II helixtrans-51.5141.1175.100000108.7P245 V249P245-G247 PolarHBondContact O-N 3.33Å; G247-V249 PolarHBondContact O-N 3.49Å
248P50.4Low53.3Low127 Ų12791.8 Ų91.883%0.82564%0.635SS**PPolyproline II helixtrans-52.4135.8-177.422.1-32.7000109.1G250P248-G250 PolarHBondContact O-N 3.24Å
249V52.4Low53.7Low89 Ų8988.8 Ų88.854%0.53961%0.605SS.*PPolyproline II helixtrans-48.8119.5173.1179.80000106.8H166 M246 G247H166-V249 WeakPolarHBondContact CD2-CG1 3.11Å; H166-V249 WeakPolarHBondContact NE2-CG1 3.43Å; M246-V249 HydrophobicContact CE-CG2 4.26Å; G247-V249 PolarHBondContact O-N 3.49Å
250G54.5Low54.9Low37 Ų3788.2 Ų88.238%0.38160%0.6SS.*PPolyproline II helixtrans-52.3140.517800000109P248P248-G250 PolarHBondContact O-N 3.24Å
251P54.3Low55.9Low118 Ų11885.4 Ų85.477%0.76659%0.585SS**PPolyproline II helixtrans-53.2145.2-17822.9-33000109.7G253P251-G253 PolarHBondContact O-N 3.26Å
252P56.8Low56.9Low103 Ų10383.1 Ų83.167%0.66956%0.561SS**PPolyproline II helixtrans-46.7132.9173.5-27.234.2000109.7G254P252-G254 PolarHBondContact O-N 3.3Å
253G57.2Low58.3Low33 Ų3382 Ų8234%0.3455%0.554SS.*PPolyproline II helixtrans-52.9131.4172.600000108.3P251P251-G253 PolarHBondContact O-N 3.26Å
254G52.8Low59.5Low60 Ų6080.2 Ų80.262%0.61954%0.542SS*.PPolyproline II helixtrans-53.3150.6-178.600000111.5P252 G256P252-G254 PolarHBondContact O-N 3.3Å; G254-G256 PolarHBondContact O-N 3.27Å
255D61.4Low60.9Low133 Ų13377.5 Ų77.571%0.71151%0.514SS*.PPolyproline II helixtrans-49.1132.3176.6-68.2-30.7000109.9S257D255-S257 PolarHBondContact O-N 3.41Å
256G56.4Low62.5Low5 Ų575.7 Ų75.75%0.05250%0.502CS..PPolyproline II helixtrans-58.7131.7179.200000109.5A160 G161 G254A160-G256 WeakPolarHBondContact CA-O 3.49Å; A160-G256 WeakPolarHBondContact CB-O 3.47Å; G161-G256 PolarHBondContact O-N 3.04Å; G254-G256 PolarHBondContact O-N 3.27Å
257S63.5Low64Low96 Ų9671.8 Ų71.867%0.67149%0.489SS*.PPolyproline II helixtrans-49.5140.2178.9-35.30000110.3G113 D255 G259G113-S257 WeakPolarHBondContact CA-O 3.15Å; D255-S257 PolarHBondContact O-N 3.41Å; S257-G259 PolarHBondContact O-N 3.24Å
258P66.5Low65.3Low92 Ų9270 Ų7060%0.59747%0.47SS*.PPolyproline II helixtrans-50.5136.1174.6-25.332.8000110.8I157I157-P258 HydrophobicContact CG2-CB 3.38Å
259G62.3Low66.5Low7 Ų768.1 Ų68.17%0.07246%0.459CS..BIsolated β-bridgetrans-60.7143.8-179.800000110.6R111 I157 G158 S257 K261R111-G259 WeakPolarHBondContact O-CA 3.49Å; I157-G259 VanDerWaalsContact CG2-O 3.23Å; I157-G259 WeakPolarHBondContact CG2-O 3.1Å; G158-G259 PolarHBondContact N-O 3.07Å; G158-G259 PolarHBondContact O-N 3.4Å; S257-G259 PolarHBondContact O-N 3.24Å; G259-K261 PolarHBondContact O-N 3.02Å
260A71.5Confident67.5Low86 Ų8666.6 Ų66.671%0.71145%0.452SS*.PPolyproline II helixtrans-52.1144.617900000111.1G110 G262G110-A260 WeakPolarHBondContact CA-O 3.36Å; A260-G262 PolarHBondContact O-N 2.94Å
261K73.1Confident68.1Low121 Ų12165.2 Ų65.253%0.52644%0.438SS..PPolyproline II helixtrans-51.1135.1177.4-161.8178.1-176.1-176.50109.6P154 G155 I157 G259P154-K261 HydrophobicContact CB-CD 3.78Å; P154-K261 HydrophobicContact CB-CG 4.03Å; P154-K261 HydrophobicContact CG-CD 4.06Å; P154-K261 WeakPolarHBondContact O-CE 3.37Å; G155-K261 WeakPolarHBondContact O-CE 3.23Å; G155-K261 WeakPolarHBondContact O-CG 3.43Å; I157-K261 HydrophobicContact CG1-CB 4.43Å; I157-K261 HydrophobicContact CG1-CG 4.49Å; G259-K261 PolarHBondContact O-N 3.02Å
262G72.2Confident68.7Low3 Ų366.9 Ų66.93%0.03144%0.435CS..PPolyproline II helixtrans-57.8151.717800000111P154 G155 A260P154-G262 WeakPolarHBondContact CB-O 3.03Å; G155-G262 PolarHBondContact O-N 3.14Å; A260-G262 PolarHBondContact O-N 2.94Å
263P76.5Confident68.8Low95 Ų9571.2 Ų71.262%0.61744%0.438SS*.PPolyproline II helixtrans-58.1155.8176.726.2-33.9000110.7G107G107-P263 WeakPolarHBondContact CA-O 3.44Å
264P77.9Confident68.8Low81 Ų8170.1 Ų70.153%0.52643%0.427SS..PPolyproline II helixtrans-48.8144.9169.5-2634.6000111.7P151 P154P151-P264 HydrophobicContact CB-CB 4.15Å; P154-P264 HydrophobicContact CB-CG 4.47Å; P154-P264 HydrophobicContact CG-CG 4.37Å
265G76.7Confident68.9Low4 Ų472.4 Ų72.44%0.04142%0.424CS..PPolyproline II helixtrans-63.1161.8174.600000111.6I105 G107 P151 G152I105-G265 WeakPolarHBondContact O-CA 3.18Å; G107-G265 VanDerWaalsContact CA-CA 3.47Å; P151-G265 WeakPolarHBondContact CB-O 3.09Å; G152-G265 PolarHBondContact O-N 3.21Å
266P79.5Confident68.6Low91 Ų9170.3 Ų70.359%0.59142%0.419SS*.PPolyproline II helixtrans-56.4152.8172.726.9-33.8000110.2G104G104-P266 WeakPolarHBondContact CA-O 3.02Å
267P78.8Confident68.4Low83 Ų8371.2 Ų71.254%0.53942%0.424SS..PPolyproline II helixtrans-50.8147.1170.8-25.534.2000111.8P148P148-P267 HydrophobicContact CB-CB 4.09Å
268G76.9Confident67.9Low5 Ų575.2 Ų75.25%0.05243%0.429CS..PPolyproline II helixtrans-62.9163.8176.900000112.4P102 G149P102-G268 WeakPolarHBondContact O-CA 3.04Å; G149-G268 PolarHBondContact O-N 3.09Å
269P74.9Confident67Low89 Ų8976 Ų7658%0.57842%0.421SS*.PPolyproline II helixtrans-55.1146.9171.226.3-33.2000109.6G101 P102G101-P269 WeakPolarHBondContact CA-O 2.99Å; P102-P269 HydrophobicContact CG-CG 4.11Å
270S73.6Confident66.5Low56 Ų5678.3 Ų78.339%0.39244%0.435SS..BIsolated β-bridgetrans-55.3144.2173.7-55.90000110.7
271G68Low65.6Low9 Ų975.6 Ų75.69%0.09341%0.413CS..  trans-64-166.9-175.800000114.5L99 R145 G146L99-G271 VanDerWaalsContact O-CA 3.31Å; L99-G271 WeakPolarHBondContact O-CA 3.31Å; R145-G271 WeakPolarHBondContact CD-O 3.46Å; R145-G271 WeakPolarHBondContact CG-O 3.35Å; G146-G271 PolarHBondContact O-N 3.18Å
272E66.7Low64.7Low153 Ų15378.8 Ų78.872%0.71544%0.435SS*.PPolyproline II helixtrans-71.8161.1174.7-65.6-171.8158.500111.2G146 G274G146-E272 PolarHBondContact N-O 2.97Å; E272-G274 PolarHBondContact O-N 3.08Å
273R57.3Low64Low193 Ų19385.4 Ų85.473%0.72847%0.47SS*.BIsolated β-bridgetrans-66.7131.2174.2-78.6-172.4-68.8-132.9-0.9108.7
274G58Low63.1Low11 Ų1183.7 Ų83.711%0.11347%0.469CS..PPolyproline II helixtrans-59.4146.3173.100000111.3E272E272-G274 PolarHBondContact O-N 3.08Å
275I55.2Low61.7Low107 Ų10780.2 Ų80.255%0.54945%0.448SS..PPolyproline II helixtrans-91.1124.2-179.3-61.9169.5000107.6P277I275-P277 VanDerWaalsContact O-CD 3.31Å; I275-P277 WeakPolarHBondContact O-CD 3.16Å
276C54.5Low60.9Low89 Ų8981.2 Ų81.260%0.60145%0.452SS*.PPolyproline II helixtrans-77.8116168-62.50000108.4C143C143-C276 PolarHBondContact SG-SG 2.97Å
277P52.4Low59.4Low25 Ų2579.7 Ų79.716%0.16244%0.436CS..PPolyproline II helixtrans-66.1149.217327.5-32.9000110.9I275 Y279 I286I275-P277 VanDerWaalsContact O-CD 3.31Å; I275-P277 WeakPolarHBondContact O-CD 3.16Å; P277-Y279 VanDerWaalsContact C-N 3.25Å; P277-Y279 PolarHBondContact O-N 3.2Å; P277-I286 HydrophobicContact CB-CG2 3.58Å; P277-I286 HydrophobicContact CG-CG2 3.87Å
278K53Low58.3Low179 Ų17977.7 Ų77.778%0.77842%0.419SS*.SBendtrans-66-29.7-171.8-159.4-177.1178.4-170.90112.2
279Y48.6Very low57.2Low109 Ų10983.5 Ų83.543%0.42746%0.459SS..  trans-160.4143.217138-90.5000108.7M52 P277 F287M52-Y279 HydrophobicContact CE-CE1 4.34Å; P277-Y279 VanDerWaalsContact C-N 3.25Å; P277-Y279 PolarHBondContact O-N 3.2Å; Y279-F287 HydrophobicContact CD2-CB 4.25Å; Y279-F287 HydrophobicContact CD2-CD2 4.19Å; Y279-F287 HydrophobicContact CD2-CG 4.4Å; Y279-F287 HydrophobicContact CE2-CB 3.78Å; Y279-F287 HydrophobicContact CE2-CD1 4.47Å; Y279-F287 AromaticContact CE2-CD2 3.94Å; Y279-F287 HydrophobicContact CE2-CD2 3.94Å; Y279-F287 AromaticContact CE2-CG 3.81Å; Y279-F287 HydrophobicContact CE2-CG 3.81Å
280C52Low56.8Low55 Ų5584.7 Ų84.737%0.37246%0.46SS..BIsolated β-bridgetrans-92.7130169.7-780000108.9C94C94-C280 HydrophobicContact CB-CB 4.35Å; C94-C280 WeakPolarHBondContact CB-SG 3.5Å; C94-C280 WeakPolarHBondContact SG-CB 3.38Å; C94-C280 CovalentContact SG-SG 2.04Å; C94-C280 PolarHBondContact SG-SG 3.11Å
281A52.6Low55.9Low30 Ų3085 Ų8525%0.24847%0.473CS..  trans-72.3146.6168.400000109.7D283 G284 G285 F287A281-D283 PolarHBondContact O-N 3.22Å; A281-D283 VanDerWaalsContact O-N 3.08Å; A281-G284 PolarHBondContact O-N 3.2Å; A281-G285 PolarHBondContact N-O 3.42Å; A281-G285 VanDerWaalsContact N-O 3.17Å; A281-F287 HydrophobicContact CB-CE2 4.02Å
282L54.4Low55.4Low187 Ų18786.1 Ų86.198%0.97948%0.479SS*.THydrogen-bonded Turntrans-55.8-25.9177.2-72.7161.3000112.7G284L282-G284 PolarHBondContact O-N 3.26Å
283D56.4Low54.9Low143 Ų14386.5 Ų86.577%0.76547%0.474SS*.THydrogen-bonded Turntrans-82.29.6178.5-56.1-39.8000114A281 G285A281-D283 PolarHBondContact O-N 3.22Å; A281-D283 VanDerWaalsContact O-N 3.08Å; D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.28Å
284G58Low55Low59 Ų5988.1 Ų88.161%0.60848%0.48SS*.SBendtrans78.27.8-179.900000115A281 L282A281-G284 PolarHBondContact O-N 3.2Å; L282-G284 PolarHBondContact O-N 3.26Å
285G49Very low54.9Low7 Ų792 Ų927%0.07250%0.498CS..  trans-78.4138.1174.800000112.5A281 D283A281-G285 PolarHBondContact N-O 3.42Å; A281-G285 VanDerWaalsContact N-O 3.17Å; D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.28Å
286I58.9Low54.9Low26 Ų2691.2 Ų91.213%0.13350%0.496CS..BIsolated β-bridgetrans-106121.6-176.6-59.1176.8000109.4L96 P277 F288 R293 R294L96-I286 HydrophobicContact CD1-CD1 3.49Å; L96-I286 VanDerWaalsContact CD1-CD1 3.49Å; L96-I286 HydrophobicContact CD1-CG2 4.25Å; L96-I286 HydrophobicContact CD2-CD1 4.14Å; L96-I286 HydrophobicContact CG-CD1 3.64Å; P277-I286 HydrophobicContact CB-CG2 3.58Å; P277-I286 HydrophobicContact CG-CG2 3.87Å; I286-F288 HydrophobicContact CB-CE2 4.28Å; I286-F288 HydrophobicContact CG2-CD2 4.29Å; I286-F288 HydrophobicContact CG2-CE2 3.74Å; I286-F288 HydrophobicContact CG2-CZ 3.88Å; I286-R293 WeakPolarHBondContact O-CA 3.19Å; I286-R294 PolarHBondContact N-O 3.19Å; I286-R294 PolarHBondContact O-N 3.46Å
287F49.1Very low54.9Low59 Ų5991.3 Ų91.326%0.25949%0.49SS..BIsolated β-bridgetrans-99.1122.1175.6-73.1-90.3000111.1Y279 A281 R293Y279-F287 HydrophobicContact CD2-CB 4.25Å; Y279-F287 HydrophobicContact CD2-CD2 4.19Å; Y279-F287 HydrophobicContact CD2-CG 4.4Å; Y279-F287 HydrophobicContact CE2-CB 3.78Å; Y279-F287 HydrophobicContact CE2-CD1 4.47Å; Y279-F287 AromaticContact CE2-CD2 3.94Å; Y279-F287 HydrophobicContact CE2-CD2 3.94Å; Y279-F287 AromaticContact CE2-CG 3.81Å; Y279-F287 HydrophobicContact CE2-CG 3.81Å; A281-F287 HydrophobicContact CB-CE2 4.02Å; F287-R293 HydrophobicContact CD1-CB 4.39Å; F287-R293 HydrophobicContact CE1-CB 4.09Å; F287-R293 HydrophobicContact CE1-CG 4.36Å; F287-R293 HydrophobicContact CZ-CB 4.46Å; F287-R293 HydrophobicContact CZ-CG 4.23Å
288F54.2Low55Low40 Ų4095.2 Ų95.218%0.17551%0.509CS..  trans-93.1161.9177.7-69.3-88.1000111.5L96 I286 D290 G291 S292 R294L96-F288 HydrophobicContact CD1-CE1 4.38Å; L96-F288 HydrophobicContact CD1-CZ 3.66Å; I286-F288 HydrophobicContact CB-CE2 4.28Å; I286-F288 HydrophobicContact CG2-CD2 4.29Å; I286-F288 HydrophobicContact CG2-CE2 3.74Å; I286-F288 HydrophobicContact CG2-CZ 3.88Å; F288-D290 WeakPolarHBondContact CB-OD1 3.36Å; F288-D290 PolarHBondContact O-N 3.27Å; F288-D290 VanDerWaalsContact O-N 3.14Å; F288-G291 PolarHBondContact O-N 3.28Å; F288-S292 PolarHBondContact N-O 3.35Å; F288-R294 HydrophobicContact CD2-CG 4.18Å; F288-R294 HydrophobicContact CE2-CB 3.88Å; F288-R294 HydrophobicContact CE2-CG 3.7Å
289S55.6Low55.2Low128 Ų12889.9 Ų89.990%0.89549%0.492SS*.THydrogen-bonded Turntrans-64.2-14.1-179.547.70000114.4G291S289-G291 VanDerWaalsContact C-N 3.28Å
290D65.3Low55.6Low113 Ų11388.7 Ų88.760%0.60450%0.497SS*.THydrogen-bonded Turntrans-86.32.9173.266.9-19.7000112.9F288 S292F288-D290 WeakPolarHBondContact CB-OD1 3.36Å; F288-D290 PolarHBondContact O-N 3.27Å; F288-D290 VanDerWaalsContact O-N 3.14Å; D290-S292 PolarHBondContact O-N 3.15Å; D290-S292 WeakPolarHBondContact OD1-CB 3.39Å; D290-S292 PolarHBondContact OD1-N 3.27Å; D290-S292 PolarHBondContact OD1-OG 3.14Å; D290-S292 PolarHBondContact OD2-OG 3.17Å
291G55.1Low55.9Low63 Ų6391.1 Ų91.165%0.64951%0.505SS*.SBendtrans78.74.2-175.900000113.7F288 S289F288-G291 PolarHBondContact O-N 3.28Å; S289-G291 VanDerWaalsContact C-N 3.28Å
292S58.2Low56.1Low32 Ų3295.8 Ų95.822%0.22453%0.525CS..  trans-79.3138.4177.471.90000111.7F288 D290F288-S292 PolarHBondContact N-O 3.35Å; D290-S292 PolarHBondContact O-N 3.15Å; D290-S292 WeakPolarHBondContact OD1-CB 3.39Å; D290-S292 PolarHBondContact OD1-N 3.27Å; D290-S292 PolarHBondContact OD1-OG 3.14Å; D290-S292 PolarHBondContact OD2-OG 3.17Å
293R56.2Low56.3Low162 Ų16288.2 Ų88.261%0.61149%0.487SS*.BIsolated β-bridgetrans-98.7127.7170.9-178.5-178.1177.9176.43.7108.6I286 F287I286-R293 WeakPolarHBondContact O-CA 3.19Å; F287-R293 HydrophobicContact CD1-CB 4.39Å; F287-R293 HydrophobicContact CE1-CB 4.09Å; F287-R293 HydrophobicContact CE1-CG 4.36Å; F287-R293 HydrophobicContact CZ-CB 4.46Å; F287-R293 HydrophobicContact CZ-CG 4.23Å
294R59.3Low56.2Low226 Ų22683.2 Ų83.285%0.85346%0.462SS*.  trans-124.30167.1-55.1-173.4-178-167.2-0.6111.4I286 F288I286-R294 PolarHBondContact N-O 3.19Å; I286-R294 PolarHBondContact O-N 3.46Å; F288-R294 HydrophobicContact CD2-CG 4.18Å; F288-R294 HydrophobicContact CE2-CB 3.88Å; F288-R294 HydrophobicContact CE2-CG 3.7Å

Retrieved 294 of 294 residues in 36.3 ms (Link to these results)