A0A087X3X3_POEFO Loading...

Nucleolar protein interacting with the FHA domain of MKI67

AlphaFold DB , UniProt , Accession A0A087X3X3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 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
1M43.1Very low46.8Very low236 Ų236149.9 Ų149.9100%1.16384%0.84SS**  0127.50-78.117916700108.1
2T43.6Very low47.4Very low138 Ų138156 Ų15685%0.84784%0.84SS**  trans32.5103.815754.80000119.2
3E48.3Very low47.9Very low193 Ų193153.2 Ų153.290%0.90284%0.836SS**  trans-70.6149.1153-54.1164.7136.500110.4
4S47.2Very low48.8Very low119 Ų119158.1 Ų158.183%0.83284%0.836SS**  trans-170.480.5147.551.60000111.5A6S4-A6 PolarHBondContact O-N 3.43Å
5K44.5Very low49.7Very low193 Ų193159.7 Ų159.784%0.83984%0.837SS**  trans-80.1108.9167.2-171.2172.5-177.9-179.70108.2E7K5-E7 PolarHBondContact O-N 3.34Å
6A46.9Very low50.5Low104 Ų104159.2 Ų159.286%0.8683%0.834SS**  trans-70.4101.1-179.400000110.9S4S4-A6 PolarHBondContact O-N 3.43Å
7E44.6Very low51Low164 Ų164159.4 Ų159.477%0.76684%0.835SS**  trans-79119.3170.7-64.5-170.8153.300110.1K5 V9K5-E7 PolarHBondContact O-N 3.34Å; E7-V9 PolarHBondContact O-N 2.87Å
8S46.6Very low51.6Low120 Ų120152.7 Ų152.784%0.83981%0.807SS**  trans-72.790.3176.957.50000110.3S10S8-S10 PolarHBondContact O-N 3.04Å
9V45.7Very low52.4Low113 Ų113153.9 Ų153.969%0.68581%0.813SS**  trans-62.7103.9172.9-179.70000109E7 Q11E7-V9 PolarHBondContact O-N 2.87Å; V9-Q11 VanDerWaalsContact C-N 3.29Å; V9-Q11 HydrophobicContact CG1-CG 4.13Å; V9-Q11 PolarHBondContact O-N 3.09Å
10S48.6Very low53.8Low110 Ų110151.1 Ų151.177%0.76980%0.798SS**  trans-66.692.1167.2-175.80000108.4S8 R12S8-S10 PolarHBondContact O-N 3.04Å; S10-R12 PolarHBondContact O-N 3.26Å
11Q55.6Low55.3Low159 Ų159148.3 Ų148.374%0.74379%0.789SS**  trans-67104.2177.1-65.9-173.38.100108.3V9V9-Q11 VanDerWaalsContact C-N 3.29Å; V9-Q11 HydrophobicContact CG1-CG 4.13Å; V9-Q11 PolarHBondContact O-N 3.09Å
12R54.1Low57.3Low223 Ų223144.6 Ų144.684%0.84277%0.768SS**PPolyproline II helixtrans-52.9138.9163.8-59-178.5-169.5179.43.9107.3S10 R14S10-R12 PolarHBondContact O-N 3.26Å; R12-R14 PolarHBondContact O-N 3.45Å; R12-R14 VanDerWaalsContact O-N 3.11Å
13P54.5Low59.2Low120 Ų120143 Ų14378%0.77975%0.754SS**PPolyproline II helixtrans-54.6125.4175.924.1-33.3000108.1E15P13-E15 PolarHBondContact O-N 3.35Å; P13-E15 VanDerWaalsContact O-N 3.11Å
14R60.7Low60.8Low222 Ų222136.9 Ų136.984%0.83873%0.726SS**PPolyproline II helixtrans-55.5121.7178.8-73.5178.4172.5164-3107.7R12 L16R12-R14 PolarHBondContact O-N 3.45Å; R12-R14 VanDerWaalsContact O-N 3.11Å; R14-L16 PolarHBondContact O-N 2.95Å
15E61.7Low62.7Low181 Ų181134.8 Ų134.885%0.84671%0.708SS**  trans-59.2111.1170.2-70179.4165.300107P13 L17P13-E15 PolarHBondContact O-N 3.35Å; P13-E15 VanDerWaalsContact O-N 3.11Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.99Å
16L61.8Low64.8Low152 Ų152130.2 Ų130.280%0.79669%0.689SS**  trans-6995.7172.3-67.2176.5000106.2R14 A18R14-L16 PolarHBondContact O-N 2.95Å; L16-A18 PolarHBondContact O-N 3.17Å
17L59.7Low66.7Low162 Ų162131.9 Ų131.985%0.84868%0.677SS**  trans-55.2102.2170.5-78.4167.2000108E15 L19E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 2.99Å; L17-L19 PolarHBondContact O-N 2.92Å
18A62.5Low68.8Low40 Ų40128.8 Ų128.833%0.33166%0.662SS.*  trans-64.2128.1175.400000108.5L16 N20 E24L16-A18 PolarHBondContact O-N 3.17Å; A18-N20 PolarHBondContact O-N 2.95Å; A18-E24 HydrophobicContact CB-CB 3.65Å; A18-E24 HydrophobicContact CB-CG 3.77Å
19L66.9Low70.9Confident176 Ų176129.3 Ų129.392%0.92165%0.649SS**SBendtrans-55-25.5178.1-81.4147.6000112.9L17L17-L19 PolarHBondContact O-N 2.92Å
20N80.6Confident72.9Confident97 Ų97129.7 Ų129.752%0.51964%0.641SS.*SBendtrans-134.9121.4169.5-69.4-47.2000109.8A18 E22 L23 E24A18-N20 PolarHBondContact O-N 2.95Å; N20-E22 VanDerWaalsContact C-N 3.35Å; N20-E22 PolarHBondContact O-N 2.64Å; N20-L23 HydrophobicContact CB-CB 4.37Å; N20-L23 HydrophobicContact CB-CD1 4.03Å; N20-L23 HydrophobicContact CB-CG 4.11Å; N20-E24 PolarHBondContact O-N 2.84Å
21P83.8Confident74.8Confident92 Ų92127.7 Ų127.760%0.59762%0.624SS**Hα-helixtrans-68.9-30.4-17726.6-34.2000113.2E24 V25P21-E24 WeakPolarHBondContact O-CB 3.5Å; P21-E24 PolarHBondContact O-N 2.86Å; P21-V25 WeakPolarHBondContact O-CG2 3.46Å; P21-V25 PolarHBondContact O-N 2.98Å; P21-V25 VanDerWaalsContact O-N 3.09Å
22E84.8Confident76.2Confident158 Ų158125.6 Ų125.674%0.73861%0.614SS**Hα-helixtrans-64.6-45.6-180-60-176.3157.100111.9N20 E24 V25 E26N20-E22 VanDerWaalsContact C-N 3.35Å; N20-E22 PolarHBondContact O-N 2.64Å; E22-E24 VanDerWaalsContact C-N 3.25Å; E22-E24 PolarHBondContact O-N 3.36Å; E22-V25 PolarHBondContact O-N 2.86Å; E22-E26 PolarHBondContact O-N 2.95Å
23L83.4Confident77.7Confident104 Ų104120.2 Ų120.255%0.54560%0.599SS.*Hα-helixtrans-64.2-30.7176.1-62.5-179.2000112N20 F27N20-L23 HydrophobicContact CB-CB 4.37Å; N20-L23 HydrophobicContact CB-CD1 4.03Å; N20-L23 HydrophobicContact CB-CG 4.11Å; L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 3.43Å
24E82.5Confident79.1Confident65 Ų65119.3 Ų119.330%0.30459%0.591SS.*Hα-helixtrans-69.6-39.8174.6-154.8-156.817900111.8A18 N20 P21 E22 F27 K28A18-E24 HydrophobicContact CB-CB 3.65Å; A18-E24 HydrophobicContact CB-CG 3.77Å; N20-E24 PolarHBondContact O-N 2.84Å; P21-E24 WeakPolarHBondContact O-CB 3.5Å; P21-E24 PolarHBondContact O-N 2.86Å; E22-E24 VanDerWaalsContact C-N 3.25Å; E22-E24 PolarHBondContact O-N 3.36Å; E24-F27 PolarHBondContact O-N 2.84Å; E24-K28 VanDerWaalsContact CD-CE 3.43Å; E24-K28 HydrophobicContact CG-CD 4.36Å; E24-K28 VanDerWaalsContact O-CB 3.31Å; E24-K28 WeakPolarHBondContact O-CB 3.42Å; E24-K28 VanDerWaalsContact O-CG 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.11Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.37Å; E24-K28 PolarHBondContact OE1-NZ 3.28Å; E24-K28 IonicContact OE2-NZ 3.38Å; E24-K28 PolarHBondContact OE2-NZ 3.41Å
25V87.3Confident80Confident75 Ų75115.1 Ų115.146%0.45558%0.579SS.*Hα-helixtrans-64.2-42173.9172.90000110.7P21 E22 K29P21-V25 WeakPolarHBondContact O-CG2 3.46Å; P21-V25 PolarHBondContact O-N 2.98Å; P21-V25 VanDerWaalsContact O-N 3.09Å; E22-V25 PolarHBondContact O-N 2.86Å; V25-K29 HydrophobicContact CG1-CD 4.24Å; V25-K29 WeakPolarHBondContact O-CB 3.43Å; V25-K29 VanDerWaalsContact O-CG 3.28Å; V25-K29 WeakPolarHBondContact O-CG 3.01Å; V25-K29 PolarHBondContact O-N 3.25Å
26E88.5Confident80.6Confident98 Ų98113.4 Ų113.446%0.45857%0.568SS.*Hα-helixtrans-62.1-45.9172.3-74.8-156.9-178.400113E22 K29 K30E22-E26 PolarHBondContact O-N 2.95Å; E26-K29 PolarHBondContact O-N 3.49Å; E26-K30 WeakPolarHBondContact O-CB 3.46Å; E26-K30 WeakPolarHBondContact O-CG 3.47Å; E26-K30 PolarHBondContact O-N 3.44Å; E26-K30 IonicContact OE2-NZ 2.66Å; E26-K30 PolarHBondContact OE2-NZ 2.84Å
27F87.9Confident80.8Confident138 Ų138113.4 Ų113.461%0.60556%0.562SS**Hα-helixtrans-62.5-46179.2-177.6-101.3000110.9L23 E24 K29 K30 V31L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.27Å; L23-F27 PolarHBondContact O-N 3.43Å; E24-F27 PolarHBondContact O-N 2.84Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 2.84Å; F27-K30 PolarHBondContact O-N 3.15Å; F27-V31 HydrophobicContact CD1-CG2 4.14Å; F27-V31 HydrophobicContact CD2-CG2 4.5Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CE2-CG2 4.18Å; F27-V31 HydrophobicContact CG-CG2 4.48Å; F27-V31 HydrophobicContact CZ-CG2 3.81Å; F27-V31 WeakPolarHBondContact O-CB 3.31Å; F27-V31 VanDerWaalsContact O-CG2 3.3Å; F27-V31 WeakPolarHBondContact O-CG2 3.3Å; F27-V31 PolarHBondContact O-N 3.11Å
28K87.4Confident80.9Confident100 Ų100110.2 Ų110.244%0.43555%0.553SS.*Hα-helixtrans-58.7-42.2173.7-75.3168.9179.71650111.6E24 Q32E24-K28 VanDerWaalsContact CD-CE 3.43Å; E24-K28 HydrophobicContact CG-CD 4.36Å; E24-K28 VanDerWaalsContact O-CB 3.31Å; E24-K28 WeakPolarHBondContact O-CB 3.42Å; E24-K28 VanDerWaalsContact O-CG 3.27Å; E24-K28 WeakPolarHBondContact O-CG 3.41Å; E24-K28 PolarHBondContact O-N 3.11Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.37Å; E24-K28 PolarHBondContact OE1-NZ 3.28Å; E24-K28 IonicContact OE2-NZ 3.38Å; E24-K28 PolarHBondContact OE2-NZ 3.41Å; K28-Q32 WeakPolarHBondContact O-CB 3.27Å; K28-Q32 VanDerWaalsContact O-CG 3.29Å; K28-Q32 WeakPolarHBondContact O-CG 3.29Å; K28-Q32 PolarHBondContact O-N 2.93Å
29K90.3Very high80.8Confident131 Ų131118.1 Ų118.157%0.5757%0.574SS**Hα-helixtrans-62.6-50.6174.1-76.4172.5-179.5176.70111.8V25 E26 F27 V31 Q32 E33V25-K29 HydrophobicContact CG1-CD 4.24Å; V25-K29 WeakPolarHBondContact O-CB 3.43Å; V25-K29 VanDerWaalsContact O-CG 3.28Å; V25-K29 WeakPolarHBondContact O-CG 3.01Å; V25-K29 PolarHBondContact O-N 3.25Å; E26-K29 PolarHBondContact O-N 3.49Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 2.84Å; K29-V31 PolarHBondContact O-N 2.91Å; K29-Q32 CarbonylContact O-C 3.59Å; K29-Q32 PolarHBondContact O-N 3.25Å; K29-Q32 VanDerWaalsContact O-N 3.15Å; K29-E33 PolarHBondContact O-N 2.82Å
30K87.9Confident79.9Confident120 Ų120112.6 Ų112.652%0.52256%0.56SS.*Hα-helixtrans-59.2-43.9177.8-76.2165.4177.3153.80111.9E26 F27 E33 V34E26-K30 WeakPolarHBondContact O-CB 3.46Å; E26-K30 WeakPolarHBondContact O-CG 3.47Å; E26-K30 PolarHBondContact O-N 3.44Å; E26-K30 IonicContact OE2-NZ 2.66Å; E26-K30 PolarHBondContact OE2-NZ 2.84Å; F27-K30 PolarHBondContact O-N 3.15Å; K30-E33 PolarHBondContact O-N 3.2Å; K30-V34 WeakPolarHBondContact O-CG2 3.39Å; K30-V34 PolarHBondContact O-N 3.46Å
31V88.7Confident78.5Confident69 Ų69110.3 Ų110.342%0.41856%0.56SS.*Hα-helixtrans-63.3-41.6174.9170.10000111.5F27 K29 V34 K35F27-V31 HydrophobicContact CD1-CG2 4.14Å; F27-V31 HydrophobicContact CD2-CG2 4.5Å; F27-V31 HydrophobicContact CE1-CG2 3.79Å; F27-V31 HydrophobicContact CE2-CG2 4.18Å; F27-V31 HydrophobicContact CG-CG2 4.48Å; F27-V31 HydrophobicContact CZ-CG2 3.81Å; F27-V31 WeakPolarHBondContact O-CB 3.31Å; F27-V31 VanDerWaalsContact O-CG2 3.3Å; F27-V31 WeakPolarHBondContact O-CG2 3.3Å; F27-V31 PolarHBondContact O-N 3.11Å; K29-V31 PolarHBondContact O-N 2.91Å; V31-V34 PolarHBondContact O-N 2.77Å; V31-K35 VanDerWaalsContact O-CB 3.24Å; V31-K35 WeakPolarHBondContact O-CB 3.24Å; V31-K35 PolarHBondContact O-N 3.47Å
32Q85.4Confident76.9Confident114 Ų114116 Ų11653%0.53358%0.575SS.*Hα-helixtrans-65.3-37.3174-75.7-177.116.800112.6K28 K29 K35 K36K28-Q32 WeakPolarHBondContact O-CB 3.27Å; K28-Q32 VanDerWaalsContact O-CG 3.29Å; K28-Q32 WeakPolarHBondContact O-CG 3.29Å; K28-Q32 PolarHBondContact O-N 2.93Å; K29-Q32 CarbonylContact O-C 3.59Å; K29-Q32 PolarHBondContact O-N 3.25Å; K29-Q32 VanDerWaalsContact O-N 3.15Å; Q32-K35 PolarHBondContact O-N 2.94Å; Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.39Å; Q32-K36 VanDerWaalsContact O-CG 3.25Å; Q32-K36 WeakPolarHBondContact O-CG 3.18Å; Q32-K36 PolarHBondContact O-N 3.31Å
33E85.8Confident75.5Confident110 Ų110111.6 Ų111.651%0.51457%0.571SS.*Hα-helixtrans-66.5-44.6174.7-76.5-171.6178.900112.4K29 K30 K35 K36 K37K29-E33 PolarHBondContact O-N 2.82Å; K30-E33 PolarHBondContact O-N 3.2Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.97Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 PolarHBondContact O-N 3.29Å; E33-K37 WeakPolarHBondContact O-CB 3.25Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 2.89Å
34V83.3Confident74.4Confident101 Ų101111.3 Ų111.361%0.61258%0.578SS**Hα-helixtrans-61.3-42.9174.61730000110.2K30 V31 K36 K37 S38K30-V34 WeakPolarHBondContact O-CG2 3.39Å; K30-V34 PolarHBondContact O-N 3.46Å; V31-V34 PolarHBondContact O-N 2.77Å; V34-K36 VanDerWaalsContact C-N 3.32Å; V34-K36 PolarHBondContact O-N 2.86Å; V34-K37 PolarHBondContact O-N 3.29Å; V34-S38 PolarHBondContact O-N 3.39Å; V34-S38 PolarHBondContact O-OG 3.31Å
35K80Confident73.4Confident135 Ų135119.6 Ų119.659%0.58761%0.607SS**Hα-helixtrans-69.8-24.5176.6-165.9171.1-176.3173.80113.6V31 Q32 E33 S38 R39V31-K35 VanDerWaalsContact O-CB 3.24Å; V31-K35 WeakPolarHBondContact O-CB 3.24Å; V31-K35 PolarHBondContact O-N 3.47Å; Q32-K35 PolarHBondContact O-N 2.94Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.97Å; K35-S38 PolarHBondContact O-OG 3Å; K35-R39 WeakPolarHBondContact O-CB 3.4Å; K35-R39 WeakPolarHBondContact O-CD 3.47Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 3.45Å
36K73.2Confident73.1Confident145 Ų145119.8 Ų119.863%0.6361%0.608SS**Hα-helixtrans-80.4-38.5170.3-78.4173.1179.6177.30111.6Q32 E33 V34 R39 G40Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.39Å; Q32-K36 VanDerWaalsContact O-CG 3.25Å; Q32-K36 WeakPolarHBondContact O-CG 3.18Å; Q32-K36 PolarHBondContact O-N 3.31Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 PolarHBondContact O-N 3.29Å; V34-K36 VanDerWaalsContact C-N 3.32Å; V34-K36 PolarHBondContact O-N 2.86Å; K36-R39 CarbonylContact O-C 3.54Å; K36-R39 PolarHBondContact O-N 2.87Å; K36-G40 WeakPolarHBondContact O-CA 3.41Å; K36-G40 PolarHBondContact O-N 2.82Å
37K66.9Low73.2Confident151 Ų151119.1 Ų119.166%0.65761%0.611SS**Hα-helixtrans-65.5-41.8174.4-77.5173.3176.2168.70111.6E33 V34 R39 G40 G41E33-K37 WeakPolarHBondContact O-CB 3.25Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 2.89Å; V34-K37 PolarHBondContact O-N 3.29Å; K37-R39 VanDerWaalsContact C-N 3.29Å; K37-R39 PolarHBondContact O-N 3.2Å; K37-G40 PolarHBondContact O-N 3.4Å; K37-G41 PolarHBondContact O-N 3.04Å
38S62.8Low73.4Confident95 Ų95116 Ų11666%0.66460%0.604SS**Hα-helixtrans-68.2-25.4174.566.70000113.8V34 K35V34-S38 PolarHBondContact O-N 3.39Å; V34-S38 PolarHBondContact O-OG 3.31Å; K35-S38 PolarHBondContact O-OG 3Å
39R59Low73.8Confident206 Ų206111.3 Ų111.378%0.77758%0.584SS**Hα-helixtrans-89.8-13.5172.3-67.7175.876.494.60.2114.1K35 K36 K37K35-R39 WeakPolarHBondContact O-CB 3.4Å; K35-R39 WeakPolarHBondContact O-CD 3.47Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 3.45Å; K36-R39 CarbonylContact O-C 3.54Å; K36-R39 PolarHBondContact O-N 2.87Å; K37-R39 VanDerWaalsContact C-N 3.29Å; K37-R39 PolarHBondContact O-N 3.2Å
40G47.5Very low74.1Confident60 Ų60105.5 Ų105.562%0.61956%0.56SS**Hα-helixtrans-113.2-12-171.900000114.4K36 K37 K42K36-G40 WeakPolarHBondContact O-CA 3.41Å; K36-G40 PolarHBondContact O-N 2.82Å; K37-G40 PolarHBondContact O-N 3.4Å; G40-K42 PolarHBondContact O-N 3.37Å
41G52Low74.5Confident50 Ų5099.8 Ų99.852%0.51554%0.535SS..SBendtrans-56.413215800000108.5K37 G43K37-G41 PolarHBondContact O-N 3.04Å; G41-G43 VanDerWaalsContact C-N 3.33Å; G41-G43 PolarHBondContact O-N 3.11Å
42K51.3Low75Confident212 Ų21299.3 Ų99.392%0.92253%0.526SS*.  trans-54.6103.3168.1-72.6174.7178.3174.40106.5G40 S44G40-K42 PolarHBondContact O-N 3.37Å; K42-S44 PolarHBondContact O-N 2.82Å; K42-S44 VanDerWaalsContact O-N 3.11Å
43G55.1Low75.5Confident64 Ų6494 Ų9466%0.6650%0.501SS*.  trans-53.5125177.200000107.7G41 R45G41-G43 VanDerWaalsContact C-N 3.33Å; G41-G43 PolarHBondContact O-N 3.11Å; G43-R45 PolarHBondContact O-N 2.72Å; G43-R45 VanDerWaalsContact O-N 3.16Å
44S59.5Low76.1Confident98 Ų9888.7 Ų88.769%0.68548%0.477SS*.  trans-46127.3155.139.90000105.4K42 V46K42-S44 PolarHBondContact O-N 2.82Å; K42-S44 VanDerWaalsContact O-N 3.11Å; S44-V46 VanDerWaalsContact O-CG2 3.25Å; S44-V46 WeakPolarHBondContact O-CG2 3.1Å; S44-V46 PolarHBondContact O-N 3.16Å
45R62.6Low76.7Confident239 Ų23988.5 Ų88.590%0.90247%0.469SS*.  trans-66.493.2-178.9-74.8-177.7178.3171.6-0.9106.3G43 T47G43-R45 PolarHBondContact O-N 2.72Å; G43-R45 VanDerWaalsContact O-N 3.16Å; R45-T47 PolarHBondContact O-N 2.74Å
46V79.4Confident77.4Confident79 Ų7982.1 Ų82.148%0.47944%0.441SS..  trans-65.6106.9-173.7-165.60000106.4S44 E98 S99S44-V46 VanDerWaalsContact O-CG2 3.25Å; S44-V46 WeakPolarHBondContact O-CG2 3.1Å; S44-V46 PolarHBondContact O-N 3.16Å; V46-E98 WeakPolarHBondContact CG1-O 3.16Å; V46-S99 VanDerWaalsContact CG1-CB 3.49Å
47T90.3Very high78.4Confident84 Ų8476.6 Ų76.652%0.51542%0.42SS..PPolyproline II helixtrans-76.7126.9177.945.10000107.8R45 G49 D100R45-T47 PolarHBondContact O-N 2.74Å; T47-G49 PolarHBondContact O-N 2.94Å; T47-D100 WeakPolarHBondContact O-CB 3.12Å; T47-D100 PolarHBondContact O-N 3.23Å
48P93Very high79.5Confident72 Ų7275.4 Ų75.447%0.46842%0.42SS..PPolyproline II helixtrans-67.1132.6176.827.8-33.7000109.8L76 E96 F97P48-L76 HydrophobicContact CB-CD1 4.26Å; P48-E96 HydrophobicContact CB-CG 4.08Å; P48-F97 WeakPolarHBondContact CA-O 3.35Å
49G95Very high80.7Confident2 Ų273.5 Ų73.52%0.02142%0.415CS..EExtended strand (participates in β ladder)trans-104134.9178.400000111.4T47 E96 F97T47-G49 PolarHBondContact O-N 2.94Å; G49-E96 WeakPolarHBondContact O-CA 3.32Å; G49-F97 PolarHBondContact N-O 2.97Å; G49-F97 PolarHBondContact O-N 3.14Å
50V97Very high82.3Confident10 Ų1065.8 Ų65.86%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-104.1125175.8178.50000110I95 E96 L125 V130 F135V50-I95 CarbonylContact C-O 3.53Å; V50-I95 WeakPolarHBondContact CA-O 3.17Å; V50-E96 HydrophobicContact CG2-CB 4.2Å; V50-E96 HydrophobicContact CG2-CG 4.18Å; V50-L125 HydrophobicContact CB-CB 4.4Å; V50-L125 HydrophobicContact CG1-CB 4.27Å; V50-L125 PolarHBondContact O-N 3.11Å; V50-V130 HydrophobicContact CB-CG2 3.87Å; V50-V130 HydrophobicContact CG1-CG2 4.09Å; V50-V130 HydrophobicContact CG2-CG1 4.18Å; V50-V130 HydrophobicContact CG2-CG2 3.97Å; V50-F135 HydrophobicContact CG1-CE2 4.35Å; V50-F135 HydrophobicContact CG1-CZ 4.01Å; V50-F135 HydrophobicContact CG2-CE2 4.06Å; V50-F135 HydrophobicContact CG2-CZ 4.19Å
51V97.6Very high84.5Confident0 Ų066.4 Ų66.40%038%0.375CS..EExtended strand (participates in β ladder)trans-107131.1174.9-175.80000109.4V53 F94 I95 F97 A103 V106V51-V53 HydrophobicContact CG1-CG2 4.02Å; V51-F94 WeakPolarHBondContact O-CA 3.4Å; V51-I95 PolarHBondContact N-O 2.93Å; V51-I95 PolarHBondContact O-N 3.36Å; V51-F97 HydrophobicContact CB-CE2 4.32Å; V51-F97 HydrophobicContact CG2-CD2 3.92Å; V51-F97 HydrophobicContact CG2-CE2 3.83Å; V51-A103 HydrophobicContact CG2-CB 3.55Å; V51-A103 WeakPolarHBondContact CG2-O 3.25Å; V51-V106 HydrophobicContact CG1-CG1 4.33Å
52Y97.8Very high86.5Confident59 Ų5966.2 Ų66.223%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-86130.4162.9167.5-98.7000109.6F92 F94 C122 E123 L125Y52-F92 HydrophobicContact CD2-CD2 4.48Å; Y52-F92 HydrophobicContact CE2-CB 3.69Å; Y52-F92 AromaticContact CE2-CD2 3.77Å; Y52-F92 HydrophobicContact CE2-CD2 3.77Å; Y52-F92 AromaticContact CE2-CG 3.98Å; Y52-F92 HydrophobicContact CE2-CG 3.98Å; Y52-F94 HydrophobicContact CD2-CD1 4.17Å; Y52-F94 AromaticContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CZ 4.01Å; Y52-F94 HydrophobicContact CG-CE1 4.39Å; Y52-C122 WeakPolarHBondContact O-CA 3.29Å; Y52-E123 HydrophobicContact CD1-CB 4.47Å; Y52-E123 PolarHBondContact N-O 3.3Å; Y52-E123 PolarHBondContact O-N 3.27Å; Y52-L125 HydrophobicContact CG-CD1 4.49Å
53V97.4Very high88.6Confident1 Ų160 Ų601%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-122.1108.6176.6-175.50000108.4V51 L56 F69 F92 A93 I95 K121V51-V53 HydrophobicContact CG1-CG2 4.02Å; V53-L56 HydrophobicContact CG1-CD1 4.23Å; V53-L56 HydrophobicContact CG1-CD2 3.75Å; V53-L56 HydrophobicContact CG1-CG 4.05Å; V53-F69 HydrophobicContact CG1-CE2 4.46Å; V53-F69 HydrophobicContact CG1-CZ 4.15Å; V53-F69 HydrophobicContact CG2-CE2 4.4Å; V53-F69 HydrophobicContact CG2-CZ 3.99Å; V53-F92 CarbonylContact O-C 3.55Å; V53-F92 WeakPolarHBondContact O-CA 3.47Å; V53-A93 PolarHBondContact N-O 3.09Å; V53-A93 PolarHBondContact O-N 3.26Å; V53-I95 HydrophobicContact CG2-CD1 3.97Å; V53-I95 HydrophobicContact CG2-CG1 4.36Å; V53-K121 CarbonylContact C-O 3.55Å; V53-K121 WeakPolarHBondContact CA-O 3.41Å
54G96.8Very high90.4Very high0 Ų061.1 Ų61.10%033%0.33CS..EExtended strand (participates in β ladder)trans-105.8170.6-178.800000114.1L56 G91 I120 K121G54-L56 PolarHBondContact O-N 3.15Å; G54-G91 CarbonylContact C-O 3.49Å; G54-I120 WeakPolarHBondContact O-CA 3.17Å; G54-K121 PolarHBondContact N-O 3.4Å; G54-K121 PolarHBondContact O-N 3.26Å; G54-K121 VanDerWaalsContact O-N 3.11Å
55H96Very high92.1Very high97 Ų9756.6 Ų56.645%0.44930%0.298SS..SBendtrans59.523.2-179.5-54.2167.7000115.7G91 R118 L119H55-G91 CarbonylContact C-O 3.59Å; H55-G91 WeakPolarHBondContact CA-O 3.43Å; H55-G91 PolarHBondContact N-O 3.4Å; H55-R118 WeakPolarHBondContact O-CB 3.21Å; H55-R118 WeakPolarHBondContact O-CD 3.05Å; H55-L119 VanDerWaalsContact CB-O 3.3Å; H55-L119 WeakPolarHBondContact CB-O 3.23Å; H55-L119 PolarHBondContact ND1-O 3.16Å
56L95.9Very high93.7Very high1 Ų150.1 Ų50.11%0.00527%0.274CS..  trans-57.8138.8177.5-67.7170.6000111.8V53 G54 L60 L65 L80 G91 A93 R118 I120V53-L56 HydrophobicContact CG1-CD1 4.23Å; V53-L56 HydrophobicContact CG1-CD2 3.75Å; V53-L56 HydrophobicContact CG1-CG 4.05Å; G54-L56 PolarHBondContact O-N 3.15Å; L56-L60 HydrophobicContact CD2-CD1 4.4Å; L56-L65 HydrophobicContact CD1-CD1 3.91Å; L56-L65 HydrophobicContact CD1-CD2 3.97Å; L56-L65 HydrophobicContact CD2-CD2 3.78Å; L56-L80 HydrophobicContact CD1-CD1 4.01Å; L56-G91 PolarHBondContact N-O 3.01Å; L56-G91 WeakPolarHBondContact O-CA 3.35Å; L56-A93 HydrophobicContact CD1-CB 3.82Å; L56-R118 PolarHBondContact O-NH1 2.83Å; L56-R118 VanDerWaalsContact O-NH1 3.17Å; L56-I120 HydrophobicContact CD2-CG2 4.15Å
57P93.6Very high94.5Very high29 Ų2950.2 Ų50.219%0.18828%0.278CS..  trans-65.5151.1171.827.5-35.7000111.5G59 L60 M115P57-G59 PolarHBondContact O-N 3.22Å; P57-G59 VanDerWaalsContact O-N 3.09Å; P57-L60 HydrophobicContact CG-CB 4.4Å; P57-L60 HydrophobicContact CG-CD1 3.69Å; P57-L60 HydrophobicContact CG-CG 3.91Å; P57-L60 PolarHBondContact O-N 3.09Å; P57-L60 VanDerWaalsContact O-N 3.16Å; P57-M115 HydrophobicContact CG-CB 4.47Å
58L89.3Confident94.7Very high125 Ų12549.5 Ų49.565%0.65427%0.266SS*.THydrogen-bonded Turntrans-65.9-19.4-166.7-78.372.3000114.3S89L58-S89 PolarHBondContact O-OG 2.91Å
59G88.8Confident94.9Very high55 Ų5546 Ų4657%0.56724%0.244SC*.THydrogen-bonded Turntrans-88.6-10.2178.200000116P57 F61P57-G59 PolarHBondContact O-N 3.22Å; P57-G59 VanDerWaalsContact O-N 3.09Å; G59-F61 WeakPolarHBondContact O-CD2 3.5Å; G59-F61 PolarHBondContact O-N 3.47Å
60L92.4Very high94.9Very high45 Ų4550.7 Ų50.724%0.23627%0.265CS..  trans-83.1113.5176-76.8-179.1000110.6L56 P57 Q64 L65 M115L56-L60 HydrophobicContact CD2-CD1 4.4Å; P57-L60 HydrophobicContact CG-CB 4.4Å; P57-L60 HydrophobicContact CG-CD1 3.69Å; P57-L60 HydrophobicContact CG-CG 3.91Å; P57-L60 PolarHBondContact O-N 3.09Å; P57-L60 VanDerWaalsContact O-N 3.16Å; L60-Q64 HydrophobicContact CD2-CB 3.8Å; L60-Q64 HydrophobicContact CD2-CG 4.42Å; L60-L65 HydrophobicContact CB-CD2 4.33Å; L60-L65 HydrophobicContact CB-CG 4.44Å; L60-L65 HydrophobicContact CD1-CD2 4.4Å; L60-M115 HydrophobicContact CD1-SD 3.92Å
61F93.9Very high94.9Very high73 Ų7357 Ų5732%0.3229%0.294SS..  trans-108.4175.7177.6-57.3-61.1000112G59 P63 Q64 L65 L80G59-F61 WeakPolarHBondContact O-CD2 3.5Å; G59-F61 PolarHBondContact O-N 3.47Å; F61-P63 VanDerWaalsContact C-CD 3.44Å; F61-Q64 PolarHBondContact O-N 3.38Å; F61-Q64 PolarHBondContact O-OE1 3.33Å; F61-L65 WeakPolarHBondContact O-CG 3.12Å; F61-L65 PolarHBondContact O-N 3.24Å; F61-L80 HydrophobicContact CD1-CD2 3.95Å
62E94Very high94.8Very high45 Ų4560.2 Ų60.221%0.2131%0.308CS..Hα-helixtrans-48.2-44.9-177.8-59.486.2164.400114.6R66 L78 L80 R82E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 PolarHBondContact O-N 2.86Å; E62-L78 HydrophobicContact CB-CD2 3.75Å; E62-L78 HydrophobicContact CG-CD2 3.88Å; E62-L80 HydrophobicContact CG-CB 3.77Å; E62-R82 IonicContact OE1-CZ 2.76Å; E62-R82 IonicContact OE1-NE 3.04Å; E62-R82 PolarHBondContact OE1-NE 3.04Å; E62-R82 IonicContact OE1-NH2 3.18Å; E62-R82 PolarHBondContact OE1-NH2 2.89Å; E62-R82 IonicContact OE2-CZ 3.43Å; E62-R82 IonicContact OE2-NE 2.78Å; E62-R82 IonicContact OE2-NH2 3.24Å; E62-R82 PolarHBondContact OE2-NH2 3.27Å
63P94.1Very high94.6Very high81 Ų8158.4 Ų58.453%0.52631%0.307SS..Hα-helixtrans-71.6-36.7-179.526.4-32.1000113.3F61 R66 S67F61-P63 VanDerWaalsContact C-CD 3.44Å; P63-R66 PolarHBondContact O-N 3.34Å; P63-S67 WeakPolarHBondContact O-CB 3.38Å; P63-S67 PolarHBondContact O-N 3.07Å
64Q94.1Very high94.6Very high89 Ų8962 Ų6242%0.41633%0.329SS..Hα-helixtrans-67.1-45.3175.6-64.779.710.800110.7L60 F61 R66 S67 Y68L60-Q64 HydrophobicContact CD2-CB 3.8Å; L60-Q64 HydrophobicContact CD2-CG 4.42Å; F61-Q64 PolarHBondContact O-N 3.38Å; F61-Q64 PolarHBondContact O-OE1 3.33Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; Q64-R66 PolarHBondContact O-N 2.66Å; Q64-S67 PolarHBondContact O-N 2.87Å; Q64-Y68 WeakPolarHBondContact O-CB 3.48Å; Q64-Y68 PolarHBondContact O-N 3.49Å
65L95.1Very high94.5Very high2 Ų262 Ų621%0.0133%0.33CS..Hα-helixtrans-60.2-43.9176.3-67.3165.6000110.9L56 L60 F61 Y68 F69 L78 L80 A93L56-L65 HydrophobicContact CD1-CD1 3.91Å; L56-L65 HydrophobicContact CD1-CD2 3.97Å; L56-L65 HydrophobicContact CD2-CD2 3.78Å; L60-L65 HydrophobicContact CB-CD2 4.33Å; L60-L65 HydrophobicContact CB-CG 4.44Å; L60-L65 HydrophobicContact CD1-CD2 4.4Å; F61-L65 WeakPolarHBondContact O-CG 3.12Å; F61-L65 PolarHBondContact O-N 3.24Å; L65-Y68 PolarHBondContact O-N 2.62Å; L65-F69 HydrophobicContact CD2-CE2 4.07Å; L65-F69 VanDerWaalsContact O-CD2 3.28Å; L65-F69 WeakPolarHBondContact O-CD2 3.29Å; L65-F69 PolarHBondContact O-N 3.04Å; L65-L78 HydrophobicContact CB-CD1 3.86Å; L65-L80 HydrophobicContact CD1-CD1 4.02Å; L65-A93 HydrophobicContact CD1-CB 4.21Å
66R95.7Very high94.5Very high104 Ų10461.3 Ų61.339%0.39233%0.328SS..Hα-helixtrans-60.1-52.6177.4-164171.7-158.6-95.3-0.6111.2E62 P63 Q64 Y68 F69 E70 V75 L78E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 PolarHBondContact O-N 2.86Å; P63-R66 PolarHBondContact O-N 3.34Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; Q64-R66 PolarHBondContact O-N 2.66Å; R66-Y68 PolarHBondContact O-N 3.2Å; R66-F69 PolarHBondContact O-N 3.33Å; R66-E70 IonicContact NH1-OE1 2.62Å; R66-E70 WeakPolarHBondContact O-CB 3.33Å; R66-E70 PolarHBondContact O-N 2.93Å; R66-V75 HydrophobicContact CG-CG1 4.47Å; R66-V75 PolarHBondContact NH2-O 3.45Å; R66-L78 HydrophobicContact CB-CD1 4.18Å
67S95.9Very high94.4Very high80 Ų8065.2 Ų65.256%0.55934%0.343SS*.Hα-helixtrans-61.7-27.6179.7-176.10000114P63 Q64P63-S67 WeakPolarHBondContact O-CB 3.38Å; P63-S67 PolarHBondContact O-N 3.07Å; Q64-S67 PolarHBondContact O-N 2.87Å
68Y95.6Very high94.6Very high69 Ų6964.5 Ų64.527%0.27134%0.338SS..Hα-helixtrans-78-52.2175.9-173.7-87.1000111.3Q64 L65 R66 E70 Q71 F72 M110 M115Q64-Y68 WeakPolarHBondContact O-CB 3.48Å; Q64-Y68 PolarHBondContact O-N 3.49Å; L65-Y68 PolarHBondContact O-N 2.62Å; R66-Y68 PolarHBondContact O-N 3.2Å; Y68-E70 VanDerWaalsContact C-N 3.31Å; Y68-E70 PolarHBondContact O-N 3.48Å; Y68-Q71 WeakPolarHBondContact O-CB 3.33Å; Y68-Q71 VanDerWaalsContact O-CG 3.29Å; Y68-Q71 WeakPolarHBondContact O-CG 3.46Å; Y68-Q71 PolarHBondContact O-N 2.97Å; Y68-F72 HydrophobicContact CD1-CE2 4.33Å; Y68-F72 AromaticContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CZ 4.41Å; Y68-M110 HydrophobicContact CE1-CE 3.54Å; Y68-M110 HydrophobicContact CE1-SD 4.23Å; Y68-M110 WeakPolarHBondContact OH-CE 3.33Å; Y68-M115 HydrophobicContact CD1-CE 4.07Å; Y68-M115 HydrophobicContact CE1-CE 3.53Å; Y68-M115 HydrophobicContact CE2-CE 4.17Å
69F96.1Very high94.9Very high0 Ų063.1 Ų63.10%032%0.324CS..Hα-helixtrans-74-20.1-176-76.5-74.1000113.9V53 L65 R66 Q71 F72 V75 I95 F97 V106 M110V53-F69 HydrophobicContact CG1-CE2 4.46Å; V53-F69 HydrophobicContact CG1-CZ 4.15Å; V53-F69 HydrophobicContact CG2-CE2 4.4Å; V53-F69 HydrophobicContact CG2-CZ 3.99Å; L65-F69 HydrophobicContact CD2-CE2 4.07Å; L65-F69 VanDerWaalsContact O-CD2 3.28Å; L65-F69 WeakPolarHBondContact O-CD2 3.29Å; L65-F69 PolarHBondContact O-N 3.04Å; R66-F69 PolarHBondContact O-N 3.33Å; F69-Q71 PolarHBondContact O-N 3.22Å; F69-Q71 VanDerWaalsContact O-N 3.15Å; F69-F72 HydrophobicContact CD1-CD2 4.14Å; F69-F72 HydrophobicContact CD1-CE2 4.25Å; F69-F72 PolarHBondContact O-N 3.32Å; F69-F72 VanDerWaalsContact O-N 3.09Å; F69-V75 HydrophobicContact CB-CG2 4.19Å; F69-I95 HydrophobicContact CB-CD1 4.11Å; F69-I95 HydrophobicContact CD1-CD1 4.17Å; F69-I95 HydrophobicContact CD2-CD1 3.2Å; F69-I95 HydrophobicContact CE1-CD1 4.44Å; F69-I95 HydrophobicContact CE2-CD1 3.56Å; F69-I95 HydrophobicContact CG-CD1 3.55Å; F69-I95 HydrophobicContact CZ-CD1 4.17Å; F69-F97 HydrophobicContact CB-CE1 4.33Å; F69-F97 HydrophobicContact CB-CZ 4Å; F69-F97 HydrophobicContact CD1-CZ 4.07Å; F69-F97 HydrophobicContact CG-CZ 4.38Å; F69-V106 HydrophobicContact CD1-CG1 3.93Å; F69-V106 HydrophobicContact CE1-CG1 3.7Å; F69-M110 HydrophobicContact CE1-CG 4.22Å
70E96.4Very high95.2Very high99 Ų9960.9 Ų60.946%0.46330%0.299SS..THydrogen-bonded Turntrans-62.2-14.5171.8-172158.1-14900113.1R66 Y68 G73R66-E70 IonicContact NH1-OE1 2.62Å; R66-E70 WeakPolarHBondContact O-CB 3.33Å; R66-E70 PolarHBondContact O-N 2.93Å; Y68-E70 VanDerWaalsContact C-N 3.31Å; Y68-E70 PolarHBondContact O-N 3.48Å; E70-G73 WeakPolarHBondContact CA-O 3.43Å
71Q95.9Very high95.3Very high143 Ų14359.8 Ų59.867%0.66830%0.295SS*.THydrogen-bonded Turntrans-70.5-27.5172-60.9177.512.100113.5Y68 F69Y68-Q71 WeakPolarHBondContact O-CB 3.33Å; Y68-Q71 VanDerWaalsContact O-CG 3.29Å; Y68-Q71 WeakPolarHBondContact O-CG 3.46Å; Y68-Q71 PolarHBondContact O-N 2.97Å; F69-Q71 PolarHBondContact O-N 3.22Å; F69-Q71 VanDerWaalsContact O-N 3.15Å
72F95.3Very high95.4Very high68 Ų6858.4 Ų58.430%0.29829%0.288SS..THydrogen-bonded Turntrans-88.5-25.4179.1-58.4-91.7000112.4Y68 F69 V102 V106 M110Y68-F72 HydrophobicContact CD1-CE2 4.33Å; Y68-F72 AromaticContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CE2 3.89Å; Y68-F72 HydrophobicContact CE1-CZ 4.41Å; F69-F72 HydrophobicContact CD1-CD2 4.14Å; F69-F72 HydrophobicContact CD1-CE2 4.25Å; F69-F72 PolarHBondContact O-N 3.32Å; F69-F72 VanDerWaalsContact O-N 3.09Å; F72-V102 HydrophobicContact CB-CG1 4.14Å; F72-V102 WeakPolarHBondContact O-CG1 3.43Å; F72-V106 HydrophobicContact CB-CG2 3.52Å; F72-V106 HydrophobicContact CD1-CG2 3.87Å; F72-V106 HydrophobicContact CD2-CG2 4.17Å; F72-V106 HydrophobicContact CG-CG2 3.59Å; F72-M110 HydrophobicContact CE1-CG 4.49Å; F72-M110 HydrophobicContact CE1-SD 4.21Å; F72-M110 HydrophobicContact CE2-SD 4.15Å; F72-M110 HydrophobicContact CZ-CG 4.05Å; F72-M110 HydrophobicContact CZ-SD 3.46Å; F72-M110 WeakPolarHBondContact CZ-SD 3.48Å
73G94.9Very high95.4Very high21 Ų2158.2 Ų58.222%0.21629%0.291CS..SBendtrans162.8178.7177.400000113.4E70 V75E70-G73 WeakPolarHBondContact CA-O 3.43Å; G73-V75 PolarHBondContact O-N 3.38Å
74T95.9Very high95.2Very high76 Ų7664 Ų6447%0.46631%0.308SS..  trans-61.4118.3-176.9-380000112.2F97 E98T74-F97 WeakPolarHBondContact O-CA 3.46Å; T74-E98 WeakPolarHBondContact CB-OE2 3.39Å; T74-E98 PolarHBondContact O-N 3.45Å; T74-E98 PolarHBondContact OG1-OE2 3.24Å
75V96.4Very high95Very high1 Ų168.2 Ų68.21%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-90.3107.5174.7177.90000110.5R66 F69 G73 L78 I95 F97R66-V75 HydrophobicContact CG-CG1 4.47Å; R66-V75 PolarHBondContact NH2-O 3.45Å; F69-V75 HydrophobicContact CB-CG2 4.19Å; G73-V75 PolarHBondContact O-N 3.38Å; V75-L78 HydrophobicContact CG1-CB 4.12Å; V75-L78 HydrophobicContact CG1-CD1 4.47Å; V75-I95 HydrophobicContact CG1-CG2 3.73Å; V75-I95 HydrophobicContact CG2-CG2 4.11Å; V75-F97 HydrophobicContact CG2-CD1 4.1Å; V75-F97 HydrophobicContact CG2-CE1 3.72Å; V75-F97 HydrophobicContact CG2-CZ 4.43Å
76L94.6Very high94.8Very high81 Ų8172.1 Ų72.142%0.42435%0.349SS..EExtended strand (participates in β ladder)trans-71.5-56.8179.4-65.7-179.6000111.8P48 E96 E98P48-L76 HydrophobicContact CB-CD1 4.26Å; L76-E96 HydrophobicContact CB-CG 4.29Å; L76-E96 HydrophobicContact CD1-CG 4.36Å; L76-E96 PolarHBondContact N-O 2.9Å; L76-E98 HydrophobicContact CD1-CB 4.39Å; L76-E98 HydrophobicContact CD2-CB 4.37Å; L76-E98 HydrophobicContact CG-CB 4.22Å
77R95.3Very high94.7Very high83 Ų8367.2 Ų67.231%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-134.1140.2-178.8-58-175.6-60.3-175.8-3.8109.8E96 F135R77-E96 HydrophobicContact CB-CB 4.18Å; R77-E96 WeakPolarHBondContact CD-OE2 3.42Å; R77-E96 VanDerWaalsContact CG-OE2 3.29Å; R77-E96 WeakPolarHBondContact CG-OE2 3.36Å; R77-E96 IonicContact CZ-OE1 3.77Å; R77-E96 IonicContact CZ-OE2 3.46Å; R77-E96 PolarHBondContact N-O 3.4Å; R77-E96 IonicContact NE-OE1 2.87Å; R77-E96 IonicContact NE-OE2 2.66Å; R77-E96 PolarHBondContact NE-OE2 3.15Å; R77-E96 IonicContact NH2-OE1 2.69Å; R77-E96 PolarHBondContact NH2-OE1 3.07Å; R77-E96 IonicContact NH2-OE2 3.55Å; R77-E96 PolarHBondContact NH2-OE2 2.66Å; R77-E96 PolarHBondContact O-N 3.08Å; R77-F135 HydrophobicContact CB-CB 4.21Å; R77-F135 HydrophobicContact CB-CD1 3.44Å; R77-F135 VanDerWaalsContact CB-CD1 3.44Å; R77-F135 HydrophobicContact CB-CE1 3.87Å; R77-F135 HydrophobicContact CB-CG 3.9Å; R77-F135 HydrophobicContact CG-CB 4.5Å
78L96.1Very high94.6Very high14 Ų1465 Ų657%0.07332%0.32CS..EExtended strand (participates in β ladder)trans-135133.9176.2-175.2148.6000109.7E62 L65 R66 V75 I95 S138E62-L78 HydrophobicContact CB-CD2 3.75Å; E62-L78 HydrophobicContact CG-CD2 3.88Å; L65-L78 HydrophobicContact CB-CD1 3.86Å; R66-L78 HydrophobicContact CB-CD1 4.18Å; V75-L78 HydrophobicContact CG1-CB 4.12Å; V75-L78 HydrophobicContact CG1-CD1 4.47Å; L78-I95 HydrophobicContact CD1-CD1 4.04Å; L78-I95 HydrophobicContact CD1-CG1 4Å; L78-I95 HydrophobicContact CG-CG1 4.19Å; L78-S138 VanDerWaalsContact O-CB 3.32Å; L78-S138 WeakPolarHBondContact O-CB 3.28Å
79R95.7Very high94.5Very high97 Ų9762.9 Ų62.937%0.36632%0.316SS..EExtended strand (participates in β ladder)trans-138.3113.7174.9-178177.8-174.7135.18.4111.5A93 F94 L134 F135 V136R79-A93 CarbonylContact O-C 3.56Å; R79-A93 VanDerWaalsContact O-CA 3.25Å; R79-A93 WeakPolarHBondContact O-CA 3.25Å; R79-F94 PolarHBondContact N-O 2.93Å; R79-F94 PolarHBondContact O-N 2.67Å; R79-L134 WeakPolarHBondContact CD-O 3.29Å; R79-L134 PolarHBondContact NE-O 2.91Å; R79-L134 PolarHBondContact NH1-O 3.4Å; R79-F135 HydrophobicContact CB-CD1 4.3Å; R79-V136 PolarHBondContact NH1-O 3.05Å
80L95.9Very high94.4Very high7 Ų769 Ų694%0.03734%0.342CS..EExtended strand (participates in β ladder)trans-77.3133.4164.3-174.667000110.1L56 F61 E62 L65 A93L56-L80 HydrophobicContact CD1-CD1 4.01Å; F61-L80 HydrophobicContact CD1-CD2 3.95Å; E62-L80 HydrophobicContact CG-CB 3.77Å; L65-L80 HydrophobicContact CD1-CD1 4.02Å; L80-A93 HydrophobicContact CD1-CB 4.01Å
81S95.1Very high94.3Very high22 Ų2264.5 Ų64.515%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-77.8130.5175.1-167.20000110.4K90 F92S81-K90 PolarHBondContact O-N 3.35Å; S81-F92 VanDerWaalsContact CB-CD2 3.5Å; S81-F92 WeakPolarHBondContact CB-O 3.28Å; S81-F92 PolarHBondContact N-O 2.98Å; S81-F92 VanDerWaalsContact OG-CE2 3.23Å; S81-F92 WeakPolarHBondContact OG-CE2 3.41Å; S81-F92 WeakPolarHBondContact OG-CZ 3.33Å
82R94.4Very high94.4Very high45 Ų4560.1 Ų60.117%0.1730%0.302CS..EExtended strand (participates in β ladder)trans-131.5154.1-174.8-68.6178.2176.5-97.95.9112.1E62 G87 G88 F142E62-R82 IonicContact OE1-CZ 2.76Å; E62-R82 IonicContact OE1-NE 3.04Å; E62-R82 PolarHBondContact OE1-NE 3.04Å; E62-R82 IonicContact OE1-NH2 3.18Å; E62-R82 PolarHBondContact OE1-NH2 2.89Å; E62-R82 IonicContact OE2-CZ 3.43Å; E62-R82 IonicContact OE2-NE 2.78Å; E62-R82 IonicContact OE2-NH2 3.24Å; E62-R82 PolarHBondContact OE2-NH2 3.27Å; R82-G87 PolarHBondContact NH1-O 2.8Å; R82-G88 CarbonylContact C-O 3.47Å; R82-G88 WeakPolarHBondContact CA-O 3.32Å; R82-G88 WeakPolarHBondContact CB-O 3.38Å; R82-F142 VanDerWaalsContact CZ-CD1 3.42Å
83S94.3Very high94.5Very high40 Ų4056.9 Ų56.928%0.2829%0.288SS..  trans-71.9125.1173.1174.10000111.1K85 G87 G88S83-K85 PolarHBondContact O-N 3.29Å; S83-K85 PolarHBondContact OG-N 3.16Å; S83-G87 VanDerWaalsContact O-CA 3.29Å; S83-G87 WeakPolarHBondContact O-CA 3.35Å; S83-G87 PolarHBondContact O-N 2.81Å; S83-G88 PolarHBondContact N-O 2.89Å
84K90.9Very high94.6Very high204 Ų20457.6 Ų57.689%0.88729%0.285SS*.THydrogen-bonded Turntrans-61.1-27.2176.1-65.1-177-179.4178.60113.2
85K90.6Very high94.6Very high176 Ų17654 Ų5477%0.76526%0.263SS*.THydrogen-bonded Turntrans-83.6-45.9-177.8-66.6-176.7179.7179.10112.6S83S83-K85 PolarHBondContact O-N 3.29Å; S83-K85 PolarHBondContact OG-N 3.16Å
86T90.6Very high94.6Very high85 Ų8554.9 Ų54.952%0.52127%0.267SS..THydrogen-bonded Turntrans-107.6-21.2-169.2-41.10000113.5G88T86-G88 PolarHBondContact O-N 3.29Å
87G92Very high94.7Very high1 Ų151 Ų511%0.0125%0.247CC..  trans75.2-1.7-172.900000115.8R82 S83 F142R82-G87 PolarHBondContact NH1-O 2.8Å; S83-G87 VanDerWaalsContact O-CA 3.29Å; S83-G87 WeakPolarHBondContact O-CA 3.35Å; S83-G87 PolarHBondContact O-N 2.81Å; G87-F142 WeakPolarHBondContact O-CE1 3.44Å
88G93.6Very high94.8Very high33 Ų3351.7 Ų51.734%0.3425%0.253SS..  trans-64.6153173.400000112.2R82 S83 T86R82-G88 CarbonylContact C-O 3.47Å; R82-G88 WeakPolarHBondContact CA-O 3.32Å; R82-G88 WeakPolarHBondContact CB-O 3.38Å; S83-G88 PolarHBondContact N-O 2.89Å; T86-G88 PolarHBondContact O-N 3.29Å
89S94.9Very high94.7Very high25 Ų2552.1 Ų52.118%0.17526%0.257CS..EExtended strand (participates in β ladder)trans-63.9149.2173.446.40000110.9L58L58-S89 PolarHBondContact O-OG 2.91Å
90K94.4Very high94.6Very high127 Ų12749.3 Ų49.355%0.55225%0.25SC*.EExtended strand (participates in β ladder)trans-94.73.8171.6-67.4-164.3179.3-172.20113.1S81 F92S81-K90 PolarHBondContact O-N 3.35Å; K90-F92 HydrophobicContact CB-CD1 3.75Å; K90-F92 HydrophobicContact CB-CE1 3.56Å; K90-F92 HydrophobicContact CB-CZ 4.48Å; K90-F92 HydrophobicContact CD-CE1 3.77Å; K90-F92 HydrophobicContact CD-CZ 4.15Å; K90-F92 HydrophobicContact CG-CE1 4.35Å
91G94.4Very high94.6Very high6 Ų655.7 Ų55.76%0.06228%0.279CS..EExtended strand (participates in β ladder)trans73.320.8-176.100000114.8G54 H55 L56G54-G91 CarbonylContact C-O 3.49Å; H55-G91 CarbonylContact C-O 3.59Å; H55-G91 WeakPolarHBondContact CA-O 3.43Å; H55-G91 PolarHBondContact N-O 3.4Å; L56-G91 PolarHBondContact N-O 3.01Å; L56-G91 WeakPolarHBondContact O-CA 3.35Å
92F96.5Very high94.7Very high51 Ų5156.2 Ų56.222%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-146.4148.4171.167.2-90.1000112.9Y52 V53 S81 K90 F94Y52-F92 HydrophobicContact CD2-CD2 4.48Å; Y52-F92 HydrophobicContact CE2-CB 3.69Å; Y52-F92 AromaticContact CE2-CD2 3.77Å; Y52-F92 HydrophobicContact CE2-CD2 3.77Å; Y52-F92 AromaticContact CE2-CG 3.98Å; Y52-F92 HydrophobicContact CE2-CG 3.98Å; V53-F92 CarbonylContact O-C 3.55Å; V53-F92 WeakPolarHBondContact O-CA 3.47Å; S81-F92 VanDerWaalsContact CB-CD2 3.5Å; S81-F92 WeakPolarHBondContact CB-O 3.28Å; S81-F92 PolarHBondContact N-O 2.98Å; S81-F92 VanDerWaalsContact OG-CE2 3.23Å; S81-F92 WeakPolarHBondContact OG-CE2 3.41Å; S81-F92 WeakPolarHBondContact OG-CZ 3.33Å; K90-F92 HydrophobicContact CB-CD1 3.75Å; K90-F92 HydrophobicContact CB-CE1 3.56Å; K90-F92 HydrophobicContact CB-CZ 4.48Å; K90-F92 HydrophobicContact CD-CE1 3.77Å; K90-F92 HydrophobicContact CD-CZ 4.15Å; K90-F92 HydrophobicContact CG-CE1 4.35Å; F92-F94 HydrophobicContact CD2-CE2 4.01Å; F92-F94 HydrophobicContact CD2-CZ 4.32Å; F92-F94 AromaticContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CZ 4.22Å
93A97Very high94.7Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-134.1161.9179.600000111.4V53 L56 L65 R79 L80V53-A93 PolarHBondContact N-O 3.09Å; V53-A93 PolarHBondContact O-N 3.26Å; L56-A93 HydrophobicContact CD1-CB 3.82Å; L65-A93 HydrophobicContact CD1-CB 4.21Å; R79-A93 CarbonylContact O-C 3.56Å; R79-A93 VanDerWaalsContact O-CA 3.25Å; R79-A93 WeakPolarHBondContact O-CA 3.25Å; L80-A93 HydrophobicContact CD1-CB 4.01Å
94F97.3Very high94.8Very high35 Ų3556.9 Ų56.915%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-119.7134.9167.2-58.7-85.8000108.7V51 Y52 R79 F92 L125 L134 F135V51-F94 WeakPolarHBondContact O-CA 3.4Å; Y52-F94 HydrophobicContact CD2-CD1 4.17Å; Y52-F94 AromaticContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CE1 3.64Å; Y52-F94 HydrophobicContact CD2-CZ 4.01Å; Y52-F94 HydrophobicContact CG-CE1 4.39Å; R79-F94 PolarHBondContact N-O 2.93Å; R79-F94 PolarHBondContact O-N 2.67Å; F92-F94 HydrophobicContact CD2-CE2 4.01Å; F92-F94 HydrophobicContact CD2-CZ 4.32Å; F92-F94 AromaticContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CE2 3.88Å; F92-F94 HydrophobicContact CE2-CZ 4.22Å; F94-L125 HydrophobicContact CD1-CD2 3.99Å; F94-L125 HydrophobicContact CE1-CD2 3.71Å; F94-L134 HydrophobicContact CB-CD2 3.59Å; F94-L134 HydrophobicContact CD1-CD1 3.98Å; F94-L134 HydrophobicContact CD1-CD2 4.47Å; F94-L134 HydrophobicContact CD2-CD1 4.01Å; F94-L134 HydrophobicContact CD2-CD2 3.79Å; F94-L134 HydrophobicContact CD2-CG 4.17Å; F94-L134 HydrophobicContact CE1-CD1 4.08Å; F94-L134 HydrophobicContact CE2-CD1 4.11Å; F94-L134 HydrophobicContact CG-CD1 3.93Å; F94-L134 HydrophobicContact CG-CD2 3.71Å; F94-L134 HydrophobicContact CG-CG 4.32Å; F94-L134 HydrophobicContact CZ-CD1 4.15Å; F94-F135 HydrophobicContact CB-CE1 4.18Å; F94-F135 HydrophobicContact CB-CZ 4.11Å
95I97.1Very high95.1Very high0 Ų051.5 Ų51.50%026%0.261CS..EExtended strand (participates in β ladder)trans-127.3127-177.4-52.1-175.5000107.2V50 V51 V53 F69 V75 L78 F97V50-I95 CarbonylContact C-O 3.53Å; V50-I95 WeakPolarHBondContact CA-O 3.17Å; V51-I95 PolarHBondContact N-O 2.93Å; V51-I95 PolarHBondContact O-N 3.36Å; V53-I95 HydrophobicContact CG2-CD1 3.97Å; V53-I95 HydrophobicContact CG2-CG1 4.36Å; F69-I95 HydrophobicContact CB-CD1 4.11Å; F69-I95 HydrophobicContact CD1-CD1 4.17Å; F69-I95 HydrophobicContact CD2-CD1 3.2Å; F69-I95 HydrophobicContact CE1-CD1 4.44Å; F69-I95 HydrophobicContact CE2-CD1 3.56Å; F69-I95 HydrophobicContact CG-CD1 3.55Å; F69-I95 HydrophobicContact CZ-CD1 4.17Å; V75-I95 HydrophobicContact CG1-CG2 3.73Å; V75-I95 HydrophobicContact CG2-CG2 4.11Å; L78-I95 HydrophobicContact CD1-CD1 4.04Å; L78-I95 HydrophobicContact CD1-CG1 4Å; L78-I95 HydrophobicContact CG-CG1 4.19Å; I95-F97 HydrophobicContact CB-CE2 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.21Å; I95-F97 HydrophobicContact CG2-CE1 4.38Å; I95-F97 HydrophobicContact CG2-CE2 3.72Å; I95-F97 HydrophobicContact CG2-CZ 3.83Å
96E96.3Very high95.4Very high20 Ų2043.1 Ų43.19%0.09322%0.224CC..EExtended strand (participates in β ladder)trans-103.7120.1171.8-178.2-178.7-112.200109.1P48 G49 V50 L76 R77 F135P48-E96 HydrophobicContact CB-CG 4.08Å; G49-E96 WeakPolarHBondContact O-CA 3.32Å; V50-E96 HydrophobicContact CG2-CB 4.2Å; V50-E96 HydrophobicContact CG2-CG 4.18Å; L76-E96 HydrophobicContact CB-CG 4.29Å; L76-E96 HydrophobicContact CD1-CG 4.36Å; L76-E96 PolarHBondContact N-O 2.9Å; R77-E96 HydrophobicContact CB-CB 4.18Å; R77-E96 WeakPolarHBondContact CD-OE2 3.42Å; R77-E96 VanDerWaalsContact CG-OE2 3.29Å; R77-E96 WeakPolarHBondContact CG-OE2 3.36Å; R77-E96 IonicContact CZ-OE1 3.77Å; R77-E96 IonicContact CZ-OE2 3.46Å; R77-E96 PolarHBondContact N-O 3.4Å; R77-E96 IonicContact NE-OE1 2.87Å; R77-E96 IonicContact NE-OE2 2.66Å; R77-E96 PolarHBondContact NE-OE2 3.15Å; R77-E96 IonicContact NH2-OE1 2.69Å; R77-E96 PolarHBondContact NH2-OE1 3.07Å; R77-E96 IonicContact NH2-OE2 3.55Å; R77-E96 PolarHBondContact NH2-OE2 2.66Å; R77-E96 PolarHBondContact O-N 3.08Å; E96-F135 HydrophobicContact CB-CE1 4.21Å; E96-F135 HydrophobicContact CB-CE2 4.37Å; E96-F135 HydrophobicContact CB-CZ 3.82Å
97F97Very high95.7Very high1 Ų139.7 Ų39.70%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-93.1154.1172.5-68.8-81.9000110.6P48 G49 V51 F69 T74 V75 I95 S99 V102 A103 V106P48-F97 WeakPolarHBondContact CA-O 3.35Å; G49-F97 PolarHBondContact N-O 2.97Å; G49-F97 PolarHBondContact O-N 3.14Å; V51-F97 HydrophobicContact CB-CE2 4.32Å; V51-F97 HydrophobicContact CG2-CD2 3.92Å; V51-F97 HydrophobicContact CG2-CE2 3.83Å; F69-F97 HydrophobicContact CB-CE1 4.33Å; F69-F97 HydrophobicContact CB-CZ 4Å; F69-F97 HydrophobicContact CD1-CZ 4.07Å; F69-F97 HydrophobicContact CG-CZ 4.38Å; T74-F97 WeakPolarHBondContact O-CA 3.46Å; V75-F97 HydrophobicContact CG2-CD1 4.1Å; V75-F97 HydrophobicContact CG2-CE1 3.72Å; V75-F97 HydrophobicContact CG2-CZ 4.43Å; I95-F97 HydrophobicContact CB-CE2 4.23Å; I95-F97 HydrophobicContact CG2-CD2 4.21Å; I95-F97 HydrophobicContact CG2-CE1 4.38Å; I95-F97 HydrophobicContact CG2-CE2 3.72Å; I95-F97 HydrophobicContact CG2-CZ 3.83Å; F97-S99 PolarHBondContact O-N 3.44Å; F97-V102 HydrophobicContact CB-CG1 4.42Å; F97-V102 HydrophobicContact CD1-CG1 3.79Å; F97-V102 HydrophobicContact CE1-CG1 4.18Å; F97-V102 HydrophobicContact CG-CG1 4.06Å; F97-A103 HydrophobicContact CD2-CB 4.28Å; F97-V106 HydrophobicContact CE1-CG2 4.46Å; F97-V106 HydrophobicContact CE2-CB 4.32Å; F97-V106 HydrophobicContact CE2-CG1 4.16Å; F97-V106 HydrophobicContact CE2-CG2 4.13Å; F97-V106 HydrophobicContact CZ-CB 4.47Å; F97-V106 HydrophobicContact CZ-CG1 4.26Å; F97-V106 HydrophobicContact CZ-CG2 3.87Å
98E95.7Very high95.9Very high97 Ų9747.1 Ų47.145%0.45324%0.239SC..SBendtrans-60.2-30.3172-174.6171.7-163.300112.4V46 T74 L76V46-E98 WeakPolarHBondContact CG1-O 3.16Å; T74-E98 WeakPolarHBondContact CB-OE2 3.39Å; T74-E98 PolarHBondContact O-N 3.45Å; T74-E98 PolarHBondContact OG1-OE2 3.24Å; L76-E98 HydrophobicContact CD1-CB 4.39Å; L76-E98 HydrophobicContact CD2-CB 4.37Å; L76-E98 HydrophobicContact CG-CB 4.22Å
99S94.8Very high96.1Very high22 Ų2249.2 Ų49.215%0.15425%0.245CC..  trans-123.5132.9178.8-177.70000114V46 F97 E101 V102 A103V46-S99 VanDerWaalsContact CG1-CB 3.49Å; F97-S99 PolarHBondContact O-N 3.44Å; S99-E101 VanDerWaalsContact C-N 3.29Å; S99-E101 PolarHBondContact O-N 3.24Å; S99-E101 PolarHBondContact OG-N 3.25Å; S99-V102 WeakPolarHBondContact O-CB 3.02Å; S99-V102 PolarHBondContact O-N 3.01Å; S99-A103 PolarHBondContact O-N 2.87Å; S99-A103 VanDerWaalsContact O-N 3.09Å
100D94.8Very high96.1Very high39 Ų3948.3 Ų48.321%0.20924%0.238CC..Hα-helixtrans-63.7-29.7170.3179.258.7000113.3T47 V102 A103 K104T47-D100 WeakPolarHBondContact O-CB 3.12Å; T47-D100 PolarHBondContact O-N 3.23Å; D100-V102 VanDerWaalsContact C-N 3.35Å; D100-A103 WeakPolarHBondContact O-CB 3.25Å; D100-A103 PolarHBondContact O-N 2.93Å; D100-K104 WeakPolarHBondContact O-CG 3.4Å; D100-K104 PolarHBondContact O-N 2.73Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 3.64Å; D100-K104 PolarHBondContact OD2-NZ 2.69Å
101E94.9Very high96.2Very high141 Ų14145.2 Ų45.266%0.65923%0.228SC*.Hα-helixtrans-64.1-42.7172.9-63.317417800110.8S99 A103 K104 I105S99-E101 VanDerWaalsContact C-N 3.29Å; S99-E101 PolarHBondContact O-N 3.24Å; S99-E101 PolarHBondContact OG-N 3.25Å; E101-A103 VanDerWaalsContact C-N 3.34Å; E101-K104 PolarHBondContact O-N 2.78Å; E101-I105 WeakPolarHBondContact O-CG1 2.81Å; E101-I105 PolarHBondContact O-N 3.34Å; E101-I105 VanDerWaalsContact O-N 3.07Å
102V96.2Very high96.3Very high32 Ų3250 Ų5019%0.19425%0.252CS..Hα-helixtrans-64.4-40.5174.1175.70000110.6F72 F97 S99 D100 K104 I105 V106F72-V102 HydrophobicContact CB-CG1 4.14Å; F72-V102 WeakPolarHBondContact O-CG1 3.43Å; F97-V102 HydrophobicContact CB-CG1 4.42Å; F97-V102 HydrophobicContact CD1-CG1 3.79Å; F97-V102 HydrophobicContact CE1-CG1 4.18Å; F97-V102 HydrophobicContact CG-CG1 4.06Å; S99-V102 WeakPolarHBondContact O-CB 3.02Å; S99-V102 PolarHBondContact O-N 3.01Å; D100-V102 VanDerWaalsContact C-N 3.35Å; V102-K104 VanDerWaalsContact C-N 3.33Å; V102-K104 PolarHBondContact O-N 3.37Å; V102-I105 PolarHBondContact O-N 2.89Å; V102-V106 HydrophobicContact CG1-CG2 4.2Å; V102-V106 WeakPolarHBondContact O-CB 3.37Å; V102-V106 VanDerWaalsContact O-CG2 3.25Å; V102-V106 WeakPolarHBondContact O-CG2 3.27Å; V102-V106 PolarHBondContact O-N 2.83Å
103A96.4Very high96.3Very high0 Ų053 Ų530%026%0.263CS..Hα-helixtrans-59.7-40.8176.900000112.6V51 F97 S99 D100 E101 A107V51-A103 HydrophobicContact CG2-CB 3.55Å; V51-A103 WeakPolarHBondContact CG2-O 3.25Å; F97-A103 HydrophobicContact CD2-CB 4.28Å; S99-A103 PolarHBondContact O-N 2.87Å; S99-A103 VanDerWaalsContact O-N 3.09Å; D100-A103 WeakPolarHBondContact O-CB 3.25Å; D100-A103 PolarHBondContact O-N 2.93Å; E101-A103 VanDerWaalsContact C-N 3.34Å; A103-A107 WeakPolarHBondContact O-CB 3.42Å; A103-A107 PolarHBondContact O-N 2.9Å
104K96.4Very high96.2Very high99 Ų9958 Ų5843%0.4329%0.289SS..Hα-helixtrans-65.5-49.5175.1-71.8161.1178.5160.90112.2D100 E101 V102 V106 A107 E108 V124D100-K104 WeakPolarHBondContact O-CG 3.4Å; D100-K104 PolarHBondContact O-N 2.73Å; D100-K104 WeakPolarHBondContact OD2-CE 3.46Å; D100-K104 IonicContact OD2-NZ 3.64Å; D100-K104 PolarHBondContact OD2-NZ 2.69Å; E101-K104 PolarHBondContact O-N 2.78Å; V102-K104 VanDerWaalsContact C-N 3.33Å; V102-K104 PolarHBondContact O-N 3.37Å; K104-V106 VanDerWaalsContact C-N 3.29Å; K104-V106 PolarHBondContact O-N 3.1Å; K104-A107 PolarHBondContact O-N 2.81Å; K104-A107 VanDerWaalsContact O-N 3.08Å; K104-E108 PolarHBondContact O-N 2.83Å; K104-V124 HydrophobicContact CG-CG2 4.08Å
105I96.6Very high95.9Very high92 Ų9257.2 Ų57.247%0.47229%0.286SS..Hα-helixtrans-58-43.5177.1-65.5163.1000110.6E101 V102 E108 T109E101-I105 WeakPolarHBondContact O-CG1 2.81Å; E101-I105 PolarHBondContact O-N 3.34Å; E101-I105 VanDerWaalsContact O-N 3.07Å; V102-I105 PolarHBondContact O-N 2.89Å; I105-E108 PolarHBondContact O-N 3.2Å; I105-T109 HydrophobicContact CG2-CG2 4.16Å; I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 WeakPolarHBondContact O-CG2 3.39Å; I105-T109 PolarHBondContact O-N 3.31Å; I105-T109 PolarHBondContact O-OG1 3.2Å
106V97.1Very high95.5Very high0 Ų060.4 Ų60.40%032%0.319CS..Hα-helixtrans-62.9-42.6175.9170.10000111.3V51 F69 F72 F97 V102 K104 M110V51-V106 HydrophobicContact CG1-CG1 4.33Å; F69-V106 HydrophobicContact CD1-CG1 3.93Å; F69-V106 HydrophobicContact CE1-CG1 3.7Å; F72-V106 HydrophobicContact CB-CG2 3.52Å; F72-V106 HydrophobicContact CD1-CG2 3.87Å; F72-V106 HydrophobicContact CD2-CG2 4.17Å; F72-V106 HydrophobicContact CG-CG2 3.59Å; F97-V106 HydrophobicContact CE1-CG2 4.46Å; F97-V106 HydrophobicContact CE2-CB 4.32Å; F97-V106 HydrophobicContact CE2-CG1 4.16Å; F97-V106 HydrophobicContact CE2-CG2 4.13Å; F97-V106 HydrophobicContact CZ-CB 4.47Å; F97-V106 HydrophobicContact CZ-CG1 4.26Å; F97-V106 HydrophobicContact CZ-CG2 3.87Å; V102-V106 HydrophobicContact CG1-CG2 4.2Å; V102-V106 WeakPolarHBondContact O-CB 3.37Å; V102-V106 VanDerWaalsContact O-CG2 3.25Å; V102-V106 WeakPolarHBondContact O-CG2 3.27Å; V102-V106 PolarHBondContact O-N 2.83Å; K104-V106 VanDerWaalsContact C-N 3.29Å; K104-V106 PolarHBondContact O-N 3.1Å; V106-M110 HydrophobicContact CG1-CG 4.15Å; V106-M110 WeakPolarHBondContact O-CB 3.45Å; V106-M110 WeakPolarHBondContact O-CG 3.34Å; V106-M110 PolarHBondContact O-N 3.01Å
107A97Very high95.2Very high13 Ų1368.6 Ų68.611%0.10736%0.357CS..Hα-helixtrans-63.6-42.3177.300000112.4A103 K104 N111 V124A103-A107 WeakPolarHBondContact O-CB 3.42Å; A103-A107 PolarHBondContact O-N 2.9Å; K104-A107 PolarHBondContact O-N 2.81Å; K104-A107 VanDerWaalsContact O-N 3.08Å; A107-N111 WeakPolarHBondContact O-CB 3.43Å; A107-N111 PolarHBondContact O-N 2.94Å; A107-V124 HydrophobicContact CB-CG2 3.51Å
108E96.4Very high95.1Very high156 Ų15673.2 Ų73.273%0.72937%0.374SS*.Hα-helixtrans-69-46.9178.6-70.6171-164.900112.5K104 I105K104-E108 PolarHBondContact O-N 2.83Å; I105-E108 PolarHBondContact O-N 3.2Å
109T95.8Very high95.1Very high78 Ų7873 Ų7348%0.47938%0.376SS..Hα-helixtrans-76.1-31.6-174.5540000114.1I105I105-T109 HydrophobicContact CG2-CG2 4.16Å; I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 WeakPolarHBondContact O-CG2 3.39Å; I105-T109 PolarHBondContact O-N 3.31Å; I105-T109 PolarHBondContact O-OG1 3.2Å
110M96.2Very high95.2Very high6 Ų672 Ų723%0.0337%0.369CS..Hα-helixtrans-99.7-7.7-174.1-59.1-61.2-53.900113.7Y68 F69 F72 V106 N112 Y113 M115 I120 C122Y68-M110 HydrophobicContact CE1-CE 3.54Å; Y68-M110 HydrophobicContact CE1-SD 4.23Å; Y68-M110 WeakPolarHBondContact OH-CE 3.33Å; F69-M110 HydrophobicContact CE1-CG 4.22Å; F72-M110 HydrophobicContact CE1-CG 4.49Å; F72-M110 HydrophobicContact CE1-SD 4.21Å; F72-M110 HydrophobicContact CE2-SD 4.15Å; F72-M110 HydrophobicContact CZ-CG 4.05Å; F72-M110 HydrophobicContact CZ-SD 3.46Å; F72-M110 WeakPolarHBondContact CZ-SD 3.48Å; V106-M110 HydrophobicContact CG1-CG 4.15Å; V106-M110 WeakPolarHBondContact O-CB 3.45Å; V106-M110 WeakPolarHBondContact O-CG 3.34Å; V106-M110 PolarHBondContact O-N 3.01Å; M110-N112 PolarHBondContact O-N 3.11Å; M110-Y113 HydrophobicContact CE-CD1 3.67Å; M110-Y113 HydrophobicContact CE-CE1 4.26Å; M110-Y113 HydrophobicContact CE-CG 3.96Å; M110-Y113 WeakPolarHBondContact O-CB 3.35Å; M110-Y113 PolarHBondContact O-N 3.38Å; M110-M115 HydrophobicContact CE-CE 3.45Å; M110-M115 VanDerWaalsContact CE-CE 3.45Å; M110-I120 HydrophobicContact CB-CD1 4.2Å; M110-I120 HydrophobicContact CE-CD1 3.82Å; M110-I120 WeakPolarHBondContact O-CD1 3.49Å; M110-I120 WeakPolarHBondContact O-CG1 3.39Å; M110-C122 HydrophobicContact CB-CB 4.16Å; M110-C122 VanDerWaalsContact CB-SG 3.51Å
111N96.5Very high95.3Very high62 Ų6274.2 Ų74.233%0.33238%0.377SS..THydrogen-bonded Turntrans-72129.3177.2-172.840.9000110.9A107 Y113 C122A107-N111 WeakPolarHBondContact O-CB 3.43Å; A107-N111 PolarHBondContact O-N 2.94Å; N111-Y113 PolarHBondContact O-N 3.29Å; N111-C122 HydrophobicContact CB-CB 4.29Å; N111-C122 PolarHBondContact OD1-N 3.1Å
112N96.5Very high95.4Very high107 Ų10767.8 Ų67.857%0.57235%0.347SS*.THydrogen-bonded Turntrans62.420.1-170-48.5-56.8000115M110 L119 I120M110-N112 PolarHBondContact O-N 3.11Å; N112-L119 WeakPolarHBondContact O-CD2 3.41Å; N112-I120 WeakPolarHBondContact CA-O 3.47Å; N112-I120 PolarHBondContact N-O 3.42Å
113Y96.1Very high95.4Very high114 Ų11470 Ų7045%0.44736%0.355SS..  trans-71.1141.8170.1-177.3-102.6000110.9M110 N111 M115 L119 I120M110-Y113 HydrophobicContact CE-CD1 3.67Å; M110-Y113 HydrophobicContact CE-CE1 4.26Å; M110-Y113 HydrophobicContact CE-CG 3.96Å; M110-Y113 WeakPolarHBondContact O-CB 3.35Å; M110-Y113 PolarHBondContact O-N 3.38Å; N111-Y113 PolarHBondContact O-N 3.29Å; Y113-M115 HydrophobicContact CD1-CE 3.78Å; Y113-M115 HydrophobicContact CD1-CG 3.62Å; Y113-M115 HydrophobicContact CE1-CE 3.86Å; Y113-M115 HydrophobicContact CE1-CG 3.8Å; Y113-M115 PolarHBondContact O-N 3.36Å; Y113-L119 WeakPolarHBondContact O-CA 3.12Å; Y113-I120 HydrophobicContact CD1-CD1 4.49Å; Y113-I120 VanDerWaalsContact O-CG1 3.27Å; Y113-I120 WeakPolarHBondContact O-CG1 3.38Å; Y113-I120 PolarHBondContact O-N 3.09Å
114L95.1Very high95.5Very high105 Ų10571.9 Ų71.955%0.5537%0.367SS..EExtended strand (participates in β ladder)trans-86.9110.3-178.6-175.864.2000111L119L114-L119 HydrophobicContact CB-CD2 4.03Å; L114-L119 HydrophobicContact CD1-CD2 3.9Å; L114-L119 HydrophobicContact CD1-CG 4.5Å
115M90.8Very high95.4Very high18 Ų1868.4 Ų68.49%0.08935%0.353CS..EExtended strand (participates in β ladder)trans-113105.1173.2-68-160.4170.400111.3P57 L60 Y68 M110 Y113 E117 R118 I120P57-M115 HydrophobicContact CG-CB 4.47Å; L60-M115 HydrophobicContact CD1-SD 3.92Å; Y68-M115 HydrophobicContact CD1-CE 4.07Å; Y68-M115 HydrophobicContact CE1-CE 3.53Å; Y68-M115 HydrophobicContact CE2-CE 4.17Å; M110-M115 HydrophobicContact CE-CE 3.45Å; M110-M115 VanDerWaalsContact CE-CE 3.45Å; Y113-M115 HydrophobicContact CD1-CE 3.78Å; Y113-M115 HydrophobicContact CD1-CG 3.62Å; Y113-M115 HydrophobicContact CE1-CE 3.86Å; Y113-M115 HydrophobicContact CE1-CG 3.8Å; Y113-M115 PolarHBondContact O-N 3.36Å; M115-E117 PolarHBondContact O-N 2.9Å; M115-R118 PolarHBondContact N-O 3.29Å; M115-R118 PolarHBondContact O-N 3.49Å; M115-I120 HydrophobicContact CB-CG2 3.94Å; M115-I120 HydrophobicContact CE-CD1 3.9Å; M115-I120 HydrophobicContact CG-CD1 4.28Å; M115-I120 HydrophobicContact CG-CG1 4.35Å; M115-I120 HydrophobicContact CG-CG2 3.99Å; M115-I120 HydrophobicContact SD-CD1 4.04Å; M115-I120 HydrophobicContact SD-CG2 4.17Å
116G88.2Confident95.3Very high67 Ų6766.5 Ų66.569%0.69135%0.346SS*.THydrogen-bonded Turntrans64.4-119.5-170.400000109.6
117E91.1Very high95Very high192 Ų19271.8 Ų71.890%0.89738%0.38SS*.THydrogen-bonded Turntrans-97.28.9-176.8-64161.5-168.500113.2M115M115-E117 PolarHBondContact O-N 2.9Å
118R93.9Very high94.8Very high97 Ų9780 Ų8037%0.36642%0.417SS..EExtended strand (participates in β ladder)trans-133.8134.4-169.8-51.9-174.281-176.410.4112.4H55 L56 M115 I120H55-R118 WeakPolarHBondContact O-CB 3.21Å; H55-R118 WeakPolarHBondContact O-CD 3.05Å; L56-R118 PolarHBondContact O-NH1 2.83Å; L56-R118 VanDerWaalsContact O-NH1 3.17Å; M115-R118 PolarHBondContact N-O 3.29Å; M115-R118 PolarHBondContact O-N 3.49Å; R118-I120 PolarHBondContact O-N 2.88Å
119L96.1Very high94.6Very high94 Ų9479.4 Ų79.449%0.49241%0.412SS..EExtended strand (participates in β ladder)trans-75.2114.9166.8-59.7174.8000108.7H55 N112 Y113 L114H55-L119 VanDerWaalsContact CB-O 3.3Å; H55-L119 WeakPolarHBondContact CB-O 3.23Å; H55-L119 PolarHBondContact ND1-O 3.16Å; N112-L119 WeakPolarHBondContact O-CD2 3.41Å; Y113-L119 WeakPolarHBondContact O-CA 3.12Å; L114-L119 HydrophobicContact CB-CD2 4.03Å; L114-L119 HydrophobicContact CD1-CD2 3.9Å; L114-L119 HydrophobicContact CD1-CG 4.5Å
120I96.6Very high94.5Very high0 Ų077.2 Ų77.20%040%0.398CS..  trans-75.8143.2178.258.6156.5000110.6G54 L56 M110 N112 Y113 M115 R118G54-I120 WeakPolarHBondContact O-CA 3.17Å; L56-I120 HydrophobicContact CD2-CG2 4.15Å; M110-I120 HydrophobicContact CB-CD1 4.2Å; M110-I120 HydrophobicContact CE-CD1 3.82Å; M110-I120 WeakPolarHBondContact O-CD1 3.49Å; M110-I120 WeakPolarHBondContact O-CG1 3.39Å; N112-I120 WeakPolarHBondContact CA-O 3.47Å; N112-I120 PolarHBondContact N-O 3.42Å; Y113-I120 HydrophobicContact CD1-CD1 4.49Å; Y113-I120 VanDerWaalsContact O-CG1 3.27Å; Y113-I120 WeakPolarHBondContact O-CG1 3.38Å; Y113-I120 PolarHBondContact O-N 3.09Å; M115-I120 HydrophobicContact CB-CG2 3.94Å; M115-I120 HydrophobicContact CE-CD1 3.9Å; M115-I120 HydrophobicContact CG-CD1 4.28Å; M115-I120 HydrophobicContact CG-CG1 4.35Å; M115-I120 HydrophobicContact CG-CG2 3.99Å; M115-I120 HydrophobicContact SD-CD1 4.04Å; M115-I120 HydrophobicContact SD-CG2 4.17Å; R118-I120 PolarHBondContact O-N 2.88Å
121K97.1Very high94.2Very high86 Ų8682.6 Ų82.637%0.37442%0.423SS..EExtended strand (participates in β ladder)trans-103.6123.2174.2-175.8-180175.3-166.30109V53 G54 E123V53-K121 CarbonylContact C-O 3.55Å; V53-K121 WeakPolarHBondContact CA-O 3.41Å; G54-K121 PolarHBondContact N-O 3.4Å; G54-K121 PolarHBondContact O-N 3.26Å; G54-K121 VanDerWaalsContact O-N 3.11Å; K121-E123 WeakPolarHBondContact CE-OE2 3.2Å; K121-E123 IonicContact NZ-OE2 2.89Å; K121-E123 PolarHBondContact NZ-OE2 2.95Å
122C97.4Very high93.9Very high6 Ų687.8 Ų87.84%0.04145%0.445CS..EExtended strand (participates in β ladder)trans-117133.4176.1-63.40000110.3Y52 M110 N111Y52-C122 WeakPolarHBondContact O-CA 3.29Å; M110-C122 HydrophobicContact CB-CB 4.16Å; M110-C122 VanDerWaalsContact CB-SG 3.51Å; N111-C122 HydrophobicContact CB-CB 4.29Å; N111-C122 PolarHBondContact OD1-N 3.1Å
123E97.1Very high93.8Very high78 Ų7889.5 Ų89.536%0.36445%0.448SS..EExtended strand (participates in β ladder)trans-147.8133.1-176.2-165.6176.9141.800109.5Y52 K121Y52-E123 HydrophobicContact CD1-CB 4.47Å; Y52-E123 PolarHBondContact N-O 3.3Å; Y52-E123 PolarHBondContact O-N 3.27Å; K121-E123 WeakPolarHBondContact CE-OE2 3.2Å; K121-E123 IonicContact NZ-OE2 2.89Å; K121-E123 PolarHBondContact NZ-OE2 2.95Å
124V97Very high93.6Very high39 Ų3985.2 Ų85.224%0.23643%0.432CS..EExtended strand (participates in β ladder)trans-72.9128172.6-172.30000108.7K104 A107K104-V124 HydrophobicContact CG-CG2 4.08Å; A107-V124 HydrophobicContact CB-CG2 3.51Å
125L95.9Very high93.6Very high26 Ų2680.6 Ų80.614%0.13641%0.408CS..EExtended strand (participates in β ladder)trans-86.3122.6172.8-11061.4000109.9V50 Y52 F94 K129 V130V50-L125 HydrophobicContact CB-CB 4.4Å; V50-L125 HydrophobicContact CG1-CB 4.27Å; V50-L125 PolarHBondContact O-N 3.11Å; Y52-L125 HydrophobicContact CG-CD1 4.49Å; F94-L125 HydrophobicContact CD1-CD2 3.99Å; F94-L125 HydrophobicContact CE1-CD2 3.71Å; L125-K129 HydrophobicContact CG-CB 4.35Å; L125-V130 HydrophobicContact CB-CG2 4.02Å; L125-V130 HydrophobicContact CD2-CG2 4.34Å
126P93.4Very high93.6Very high52 Ų5284.4 Ų84.434%0.33843%0.432SS..PPolyproline II helixtrans-62.5147.2168.328.3-34.6000109.5E128 K129P126-E128 PolarHBondContact O-N 3.27Å; P126-E128 VanDerWaalsContact O-N 3.1Å; P126-K129 HydrophobicContact CG-CB 4.27Å; P126-K129 HydrophobicContact CG-CD 3.76Å; P126-K129 HydrophobicContact CG-CG 3.92Å; P126-K129 PolarHBondContact O-N 2.81Å
127P90Very high93.7Very high111 Ų11183.9 Ų83.972%0.72143%0.426SS*.G310 helixtrans-58-31.5-172.222-33.5000113.1K129 V130P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 PolarHBondContact O-N 3.48Å; P127-V130 WeakPolarHBondContact O-CB 3.41Å; P127-V130 PolarHBondContact O-N 3.27Å
128E92.8Very high93.7Very high186 Ų18676.3 Ų76.387%0.86940%0.395SS*.G310 helixtrans-58.6-32.9175.4-61.4173.1-177.400113.7P126 V130P126-E128 PolarHBondContact O-N 3.27Å; P126-E128 VanDerWaalsContact O-N 3.1Å; E128-V130 VanDerWaalsContact C-N 3.35Å
129K92.8Very high93.4Very high144 Ų14480.4 Ų80.463%0.62642%0.418SS*.G310 helixtrans-85.3-9.3177.2-65.5-178.7-171.1173.10112.4L125 P126 P127 H131L125-K129 HydrophobicContact CG-CB 4.35Å; P126-K129 HydrophobicContact CG-CB 4.27Å; P126-K129 HydrophobicContact CG-CD 3.76Å; P126-K129 HydrophobicContact CG-CG 3.92Å; P126-K129 PolarHBondContact O-N 2.81Å; P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 PolarHBondContact O-N 3.48Å; K129-H131 PolarHBondContact O-N 2.84Å
130V93.4Very high93.1Very high32 Ų3285.3 Ų85.319%0.19443%0.43CS..SBendtrans-84.991.6179-175.70000109.5V50 L125 P127 E128 E132 F135V50-V130 HydrophobicContact CB-CG2 3.87Å; V50-V130 HydrophobicContact CG1-CG2 4.09Å; V50-V130 HydrophobicContact CG2-CG1 4.18Å; V50-V130 HydrophobicContact CG2-CG2 3.97Å; L125-V130 HydrophobicContact CB-CG2 4.02Å; L125-V130 HydrophobicContact CD2-CG2 4.34Å; P127-V130 WeakPolarHBondContact O-CB 3.41Å; P127-V130 PolarHBondContact O-N 3.27Å; E128-V130 VanDerWaalsContact C-N 3.35Å; V130-E132 PolarHBondContact O-N 2.82Å; V130-F135 HydrophobicContact CG1-CE2 4.27Å
131H91.3Very high92.7Very high118 Ų11893.2 Ų93.255%0.54647%0.469SS..  trans-58131.3175.7-177.2-70.6000111.7K129 K133 L134K129-H131 PolarHBondContact O-N 2.84Å; H131-K133 VanDerWaalsContact C-N 3.31Å; H131-K133 PolarHBondContact ND1-N 3.03Å; H131-K133 VanDerWaalsContact ND1-N 3.11Å; H131-K133 PolarHBondContact O-N 2.91Å; H131-K133 VanDerWaalsContact O-N 3.1Å; H131-L134 WeakPolarHBondContact O-CB 3.49Å; H131-L134 PolarHBondContact O-N 3.3Å
132E90.4Very high92.4Very high171 Ų17193.1 Ų93.180%0.79947%0.469SS*.G310 helixtrans-46.8-48.6-175.2-56.9175.6159.400114V130 L134V130-E132 PolarHBondContact O-N 2.82Å; E132-L134 PolarHBondContact O-N 2.78Å; E132-L134 VanDerWaalsContact O-N 3.14Å
133K92.8Very high92.1Very high143 Ų143102.8 Ų102.862%0.62250%0.504SS*.G310 helixtrans-72.80.3-178.2-58.9175.9-176.8163.20114.1H131 F135 V136H131-K133 VanDerWaalsContact C-N 3.31Å; H131-K133 PolarHBondContact ND1-N 3.03Å; H131-K133 VanDerWaalsContact ND1-N 3.11Å; H131-K133 PolarHBondContact O-N 2.91Å; H131-K133 VanDerWaalsContact O-N 3.1Å; K133-F135 VanDerWaalsContact C-N 3.32Å; K133-F135 PolarHBondContact O-N 2.76Å; K133-V136 HydrophobicContact CB-CG2 4.12Å; K133-V136 HydrophobicContact CG-CG2 4.45Å; K133-V136 PolarHBondContact O-N 3.17Å
134L92.8Very high91.7Very high25 Ų25107.9 Ų107.913%0.13152%0.52CS..G310 helixtrans-57.5-44.1-174.1-170153.7000111.1R79 F94 H131 E132R79-L134 WeakPolarHBondContact CD-O 3.29Å; R79-L134 PolarHBondContact NE-O 2.91Å; R79-L134 PolarHBondContact NH1-O 3.4Å; F94-L134 HydrophobicContact CB-CD2 3.59Å; F94-L134 HydrophobicContact CD1-CD1 3.98Å; F94-L134 HydrophobicContact CD1-CD2 4.47Å; F94-L134 HydrophobicContact CD2-CD1 4.01Å; F94-L134 HydrophobicContact CD2-CD2 3.79Å; F94-L134 HydrophobicContact CD2-CG 4.17Å; F94-L134 HydrophobicContact CE1-CD1 4.08Å; F94-L134 HydrophobicContact CE2-CD1 4.11Å; F94-L134 HydrophobicContact CG-CD1 3.93Å; F94-L134 HydrophobicContact CG-CD2 3.71Å; F94-L134 HydrophobicContact CG-CG 4.32Å; F94-L134 HydrophobicContact CZ-CD1 4.15Å; H131-L134 WeakPolarHBondContact O-CB 3.49Å; H131-L134 PolarHBondContact O-N 3.3Å; E132-L134 PolarHBondContact O-N 2.78Å; E132-L134 VanDerWaalsContact O-N 3.14Å
135F94.3Very high91.4Very high7 Ų7109 Ų1093%0.03153%0.528CS..G310 helixtrans-968.7-178.2-62.5-85.3000114.7V50 R77 R79 F94 E96 V130 K133 G137 S138V50-F135 HydrophobicContact CG1-CE2 4.35Å; V50-F135 HydrophobicContact CG1-CZ 4.01Å; V50-F135 HydrophobicContact CG2-CE2 4.06Å; V50-F135 HydrophobicContact CG2-CZ 4.19Å; R77-F135 HydrophobicContact CB-CB 4.21Å; R77-F135 HydrophobicContact CB-CD1 3.44Å; R77-F135 VanDerWaalsContact CB-CD1 3.44Å; R77-F135 HydrophobicContact CB-CE1 3.87Å; R77-F135 HydrophobicContact CB-CG 3.9Å; R77-F135 HydrophobicContact CG-CB 4.5Å; R79-F135 HydrophobicContact CB-CD1 4.3Å; F94-F135 HydrophobicContact CB-CE1 4.18Å; F94-F135 HydrophobicContact CB-CZ 4.11Å; E96-F135 HydrophobicContact CB-CE1 4.21Å; E96-F135 HydrophobicContact CB-CE2 4.37Å; E96-F135 HydrophobicContact CB-CZ 3.82Å; V130-F135 HydrophobicContact CG1-CE2 4.27Å; K133-F135 VanDerWaalsContact C-N 3.32Å; K133-F135 PolarHBondContact O-N 2.76Å; F135-G137 PolarHBondContact O-N 3.13Å; F135-G137 VanDerWaalsContact O-N 3.15Å; F135-S138 VanDerWaalsContact O-CB 3.28Å; F135-S138 WeakPolarHBondContact O-CB 3.21Å; F135-S138 PolarHBondContact O-N 2.99Å; F135-S138 PolarHBondContact O-OG 3.19Å
136V92.6Very high91.2Very high99 Ų99111.9 Ų111.960%0.656%0.556SS**THydrogen-bonded Turntrans-62119.9178.9173.10000110.5R79 K133R79-V136 PolarHBondContact NH1-O 3.05Å; K133-V136 HydrophobicContact CB-CG2 4.12Å; K133-V136 HydrophobicContact CG-CG2 4.45Å; K133-V136 PolarHBondContact O-N 3.17Å
137G90.1Very high91Very high55 Ų55117.4 Ų117.457%0.56757%0.57SS**THydrogen-bonded Turntrans83.56-178.800000115.8F135 Q139 R140F135-G137 PolarHBondContact O-N 3.13Å; F135-G137 VanDerWaalsContact O-N 3.15Å; G137-Q139 VanDerWaalsContact C-N 3.28Å; G137-Q139 PolarHBondContact O-N 2.87Å; G137-R140 PolarHBondContact O-N 3.34Å; G137-R140 VanDerWaalsContact O-N 3.16Å
138S89.7Confident91.1Very high34 Ų34115.7 Ų115.724%0.23856%0.559CS.*THydrogen-bonded Turntrans-56.8-35.8-179.755.20000114.3L78 F135 R140L78-S138 VanDerWaalsContact O-CB 3.32Å; L78-S138 WeakPolarHBondContact O-CB 3.28Å; F135-S138 VanDerWaalsContact O-CB 3.28Å; F135-S138 WeakPolarHBondContact O-CB 3.21Å; F135-S138 PolarHBondContact O-N 2.99Å; F135-S138 PolarHBondContact O-OG 3.19Å; S138-R140 PolarHBondContact O-N 2.83Å
139Q87.6Confident91Very high182 Ų182110.5 Ų110.585%0.8555%0.547SS*.THydrogen-bonded Turntrans-72-11.7-178.9-64.1172.8-4.300113.8G137G137-Q139 VanDerWaalsContact C-N 3.28Å; G137-Q139 PolarHBondContact O-N 2.87Å
140R90Very high91Very high197 Ų197106.3 Ų106.374%0.74353%0.534SS*.SBendtrans-93.2127.3-178.7-178.2177.4177167.22.3110.5G137 S138 F142G137-R140 PolarHBondContact O-N 3.34Å; G137-R140 VanDerWaalsContact O-N 3.16Å; S138-R140 PolarHBondContact O-N 2.83Å; R140-F142 PolarHBondContact O-N 2.81Å
141M88.8Confident90.9Very high166 Ų166109.4 Ų109.482%0.81855%0.553SS**PPolyproline II helixtrans-54.9126.9172.8-61.4-167.586.900111.6
142F91.1Very high90.9Very high85 Ų85113.2 Ų113.237%0.37356%0.562SS.*PPolyproline II helixtrans-64.3138.5-178.6179.2-99.6000111.9R82 G87 R140 R144R82-F142 VanDerWaalsContact CZ-CD1 3.42Å; G87-F142 WeakPolarHBondContact O-CE1 3.44Å; R140-F142 PolarHBondContact O-N 2.81Å; F142-R144 HydrophobicContact CE1-CG 4.07Å
143R90.6Very high90.9Very high208 Ų208113.8 Ų113.879%0.78556%0.559SS**  trans-123.8136.1169.2-63.5-169.4-179.4-158.8-0.1109.2
144R89.6Confident90.9Very high186 Ų186112 Ų11270%0.70256%0.556SS**PPolyproline II helixtrans-60.6138.6178.7-64-179.675.2173.62.9110F142 A146F142-R144 HydrophobicContact CE1-CG 4.07Å; R144-A146 PolarHBondContact O-N 2.87Å
145P90.1Very high90.9Very high61 Ų61119 Ų11940%0.39658%0.581SS.*PPolyproline II helixtrans-64.9124.3-18026.6-33.9000110.5
146A90.3Very high90.7Very high87 Ų87126 Ų12672%0.71962%0.618SS**PPolyproline II helixtrans-91.3148.1176.100000111R144 P148R144-A146 PolarHBondContact O-N 2.87Å; A146-P148 VanDerWaalsContact C-CD 3.4Å; A146-P148 WeakPolarHBondContact O-CD 3.3Å
147R89.4Confident90.6Very high168 Ų168126.6 Ų126.663%0.63461%0.61SS**  trans-114.769.7176.3-60-175.677.4113.4-2.4110.9A149 V150 T151R147-A149 PolarHBondContact O-N 2.93Å; R147-V150 HydrophobicContact CB-CB 3.98Å; R147-V150 HydrophobicContact CB-CG2 3.88Å; R147-V150 WeakPolarHBondContact O-CB 3.5Å; R147-V150 PolarHBondContact O-N 3.22Å; R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 VanDerWaalsContact O-N 3.13Å
148P92.1Very high90.8Very high76 Ų76126 Ų12649%0.49460%0.597SS.*Hα-helixtrans-61.9-28.1-173.325.4-35.1000113.6A146 T151 R152A146-P148 VanDerWaalsContact C-CD 3.4Å; A146-P148 WeakPolarHBondContact O-CD 3.3Å; P148-T151 WeakPolarHBondContact CA-OG1 3.23Å; P148-T151 PolarHBondContact O-OG1 3.33Å; P148-T151 VanDerWaalsContact O-OG1 3.05Å; P148-R152 WeakPolarHBondContact O-CB 3.49Å; P148-R152 WeakPolarHBondContact O-CG 3.44Å; P148-R152 PolarHBondContact O-N 3.11Å
149A92.4Very high91Very high76 Ų76129.3 Ų129.363%0.62862%0.618SS**Hα-helixtrans-65.3-41.1172.800000112.2R147 R152 Y153R147-A149 PolarHBondContact O-N 2.93Å; A149-R152 PolarHBondContact O-N 3.38Å; A149-Y153 WeakPolarHBondContact O-CB 3.21Å; A149-Y153 PolarHBondContact O-N 3.24Å
150V90.9Very high91.2Very high56 Ų56128 Ų12834%0.33961%0.612SS.*Hα-helixtrans-67-42.7177.3179.20000110.5R147 R152 Y153 N154R147-V150 HydrophobicContact CB-CB 3.98Å; R147-V150 HydrophobicContact CB-CG2 3.88Å; R147-V150 WeakPolarHBondContact O-CB 3.5Å; R147-V150 PolarHBondContact O-N 3.22Å; V150-R152 VanDerWaalsContact C-N 3.29Å; V150-R152 PolarHBondContact O-N 2.94Å; V150-Y153 PolarHBondContact O-N 3.4Å; V150-N154 WeakPolarHBondContact O-CB 3.18Å; V150-N154 PolarHBondContact O-N 3.41Å
151T91.3Very high91.3Very high97 Ų97123 Ų12360%0.59560%0.597SS**Hα-helixtrans-67.8-28.1176.859.90000113.1R147 P148 R155R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 VanDerWaalsContact O-N 3.13Å; P148-T151 WeakPolarHBondContact CA-OG1 3.23Å; P148-T151 PolarHBondContact O-OG1 3.33Å; P148-T151 VanDerWaalsContact O-OG1 3.05Å; T151-R155 WeakPolarHBondContact O-CB 3.42Å; T151-R155 PolarHBondContact O-N 3.33Å
152R91.2Very high91.3Very high198 Ų198119.3 Ų119.375%0.74758%0.58SS**Hα-helixtrans-72.7-38.3171-74.1170.7-177.5-162.81.2112.6P148 A149 V150 R155P148-R152 WeakPolarHBondContact O-CB 3.49Å; P148-R152 WeakPolarHBondContact O-CG 3.44Å; P148-R152 PolarHBondContact O-N 3.11Å; A149-R152 PolarHBondContact O-N 3.38Å; V150-R152 VanDerWaalsContact C-N 3.29Å; V150-R152 PolarHBondContact O-N 2.94Å; R152-R155 WeakPolarHBondContact O-CB 3.34Å
153Y91.1Very high91.3Very high183 Ų183118.7 Ų118.772%0.71858%0.58SS**Hα-helixtrans-73-51179.5-177.2-98.9000111.6A149 V150 R155A149-Y153 WeakPolarHBondContact O-CB 3.21Å; A149-Y153 PolarHBondContact O-N 3.24Å; V150-Y153 PolarHBondContact O-N 3.4Å; Y153-R155 PolarHBondContact O-N 3.02Å; Y153-R155 VanDerWaalsContact O-N 3.11Å
154N92.3Very high91.4Very high106 Ų106110.8 Ų110.857%0.56756%0.559SS**SBendtrans-74.510.1176.7-64.54.6000113.5V150 N156V150-N154 WeakPolarHBondContact O-CB 3.18Å; V150-N154 PolarHBondContact O-N 3.41Å; N154-N156 PolarHBondContact O-N 2.85Å
155R92.8Very high91.4Very high173 Ų173105.7 Ų105.765%0.65354%0.544SS*.PPolyproline II helixtrans-71.6121.2178.3-177.5179176.2179.21.3109.5T151 R152 Y153 R157T151-R155 WeakPolarHBondContact O-CB 3.42Å; T151-R155 PolarHBondContact O-N 3.33Å; R152-R155 WeakPolarHBondContact O-CB 3.34Å; Y153-R155 PolarHBondContact O-N 3.02Å; Y153-R155 VanDerWaalsContact O-N 3.11Å; R155-R157 WeakPolarHBondContact O-CG 3.46Å; R155-R157 PolarHBondContact O-N 2.88Å
156N90.4Very high91.5Very high153 Ų153105 Ų10582%0.81854%0.539SS*.PPolyproline II helixtrans-53.7126.9169.6-63.1-2000110.1N154N154-N156 PolarHBondContact O-N 2.85Å
157R91.4Very high91.6Very high111 Ų111108.7 Ų108.742%0.41954%0.535SS..PPolyproline II helixtrans-101.7145.6-178.2-60.5-173.2-173.6-170.35.5110R155 Q161 L162 M165R155-R157 WeakPolarHBondContact O-CG 3.46Å; R155-R157 PolarHBondContact O-N 2.88Å; R157-Q161 HydrophobicContact CB-CB 4.13Å; R157-L162 HydrophobicContact CB-CD2 3.95Å; R157-L162 HydrophobicContact CB-CG 4.15Å; R157-M165 PolarHBondContact NH1-SD 3.39Å
158S94.3Very high91.8Very high43 Ų43109.5 Ų109.530%0.30154%0.538SS..PPolyproline II helixtrans-68.4156171.965.70000110.7E160 Q161 L162S158-E160 PolarHBondContact O-N 3.38Å; S158-Q161 WeakPolarHBondContact O-CB 3.41Å; S158-Q161 PolarHBondContact O-N 2.88Å; S158-Q161 VanDerWaalsContact OG-CG 3.23Å; S158-Q161 WeakPolarHBondContact OG-CG 3.47Å; S158-Q161 PolarHBondContact OG-N 3.13Å; S158-L162 PolarHBondContact O-N 3.33Å
159P92.4Very high91.8Very high104 Ų104108.2 Ų108.268%0.67553%0.527SS*.Hα-helixtrans-55-40.1176.220.3-32.9000112.4Q161 L162 D163P159-Q161 VanDerWaalsContact C-N 3.33Å; P159-Q161 PolarHBondContact O-N 3.29Å; P159-L162 WeakPolarHBondContact O-CB 3.4Å; P159-L162 PolarHBondContact O-N 3.46Å; P159-L162 VanDerWaalsContact O-N 3.13Å; P159-D163 PolarHBondContact O-N 3.01Å
160E92.8Very high91.8Very high155 Ų155106.9 Ų106.972%0.72451%0.509SS*.Hα-helixtrans-59.5-39.8174.2-170.4-166.517800113S158 L162 D163 A164S158-E160 PolarHBondContact O-N 3.38Å; E160-L162 VanDerWaalsContact C-N 3.35Å; E160-D163 PolarHBondContact O-N 2.99Å; E160-A164 WeakPolarHBondContact O-CB 3.43Å; E160-A164 PolarHBondContact O-N 3.27Å
161Q91.1Very high91.9Very high92 Ų92111.9 Ų111.943%0.4352%0.521SS..Hα-helixtrans-70.1-32.3176.1-73168.211.300112.3R157 S158 P159 M165R157-Q161 HydrophobicContact CB-CB 4.13Å; S158-Q161 WeakPolarHBondContact O-CB 3.41Å; S158-Q161 PolarHBondContact O-N 2.88Å; S158-Q161 VanDerWaalsContact OG-CG 3.23Å; S158-Q161 WeakPolarHBondContact OG-CG 3.47Å; S158-Q161 PolarHBondContact OG-N 3.13Å; P159-Q161 VanDerWaalsContact C-N 3.33Å; P159-Q161 PolarHBondContact O-N 3.29Å; Q161-M165 WeakPolarHBondContact O-CB 3.43Å; Q161-M165 PolarHBondContact O-N 3.05Å
162L90.4Very high92Very high87 Ų87114.5 Ų114.546%0.45553%0.525SS..Hα-helixtrans-66.8-46.3171.6-64.1174.3000110.2R157 S158 P159 E160 A164 M165 T166R157-L162 HydrophobicContact CB-CD2 3.95Å; R157-L162 HydrophobicContact CB-CG 4.15Å; S158-L162 PolarHBondContact O-N 3.33Å; P159-L162 WeakPolarHBondContact O-CB 3.4Å; P159-L162 PolarHBondContact O-N 3.46Å; P159-L162 VanDerWaalsContact O-N 3.13Å; E160-L162 VanDerWaalsContact C-N 3.35Å; L162-A164 PolarHBondContact O-N 3.04Å; L162-M165 CarbonylContact O-C 3.58Å; L162-M165 WeakPolarHBondContact O-CA 3.37Å; L162-M165 WeakPolarHBondContact O-CB 3.17Å; L162-M165 PolarHBondContact O-N 3.24Å; L162-T166 WeakPolarHBondContact O-CG2 3.44Å; L162-T166 PolarHBondContact O-N 3.49Å
163D90.3Very high92.1Very high73 Ų73106 Ų10639%0.3949%0.493SS..Hα-helixtrans-60.8-42.9175.2-90.6-11.5000113.3P159 E160 M165 T166 R167P159-D163 PolarHBondContact O-N 3.01Å; E160-D163 PolarHBondContact O-N 2.99Å; D163-M165 PolarHBondContact O-N 3.01Å; D163-T166 PolarHBondContact O-N 3.06Å; D163-T166 PolarHBondContact O-OG1 2.81Å; D163-R167 WeakPolarHBondContact O-CB 3.19Å; D163-R167 WeakPolarHBondContact O-CG 3.41Å; D163-R167 PolarHBondContact O-N 3.28Å
164A93.6Very high92.1Very high41 Ų41100 Ų10034%0.33948%0.478SS..Hα-helixtrans-62.3-34.4173.600000111.6E160 L162 R168E160-A164 WeakPolarHBondContact O-CB 3.43Å; E160-A164 PolarHBondContact O-N 3.27Å; L162-A164 PolarHBondContact O-N 3.04Å; A164-R168 WeakPolarHBondContact O-CD 3.4Å; A164-R168 WeakPolarHBondContact O-CG 3.32Å; A164-R168 PolarHBondContact O-N 3.38Å
165M89.6Confident92.1Very high79 Ų79101.9 Ų101.939%0.38948%0.477SS..Hα-helixtrans-72.1-45.6175.1-176.5177.5178.500112.5R157 Q161 L162 D163 R167 R168 L169R157-M165 PolarHBondContact NH1-SD 3.39Å; Q161-M165 WeakPolarHBondContact O-CB 3.43Å; Q161-M165 PolarHBondContact O-N 3.05Å; L162-M165 CarbonylContact O-C 3.58Å; L162-M165 WeakPolarHBondContact O-CA 3.37Å; L162-M165 WeakPolarHBondContact O-CB 3.17Å; L162-M165 PolarHBondContact O-N 3.24Å; D163-M165 PolarHBondContact O-N 3.01Å; M165-R167 PolarHBondContact O-N 3.11Å; M165-R168 WeakPolarHBondContact O-CB 3.46Å; M165-R168 PolarHBondContact O-N 2.95Å; M165-R168 VanDerWaalsContact O-N 3.11Å; M165-L169 HydrophobicContact CE-CD1 4.25Å; M165-L169 HydrophobicContact CG-CD1 4.34Å; M165-L169 PolarHBondContact O-N 2.9Å
166T91.1Very high92Very high48 Ų4898.1 Ų98.129%0.29447%0.47SS..Hα-helixtrans-62.3-44.8178.859.90000110.6L162 D163 R168 L169 L170L162-T166 WeakPolarHBondContact O-CG2 3.44Å; L162-T166 PolarHBondContact O-N 3.49Å; D163-T166 PolarHBondContact O-N 3.06Å; D163-T166 PolarHBondContact O-OG1 2.81Å; T166-R168 VanDerWaalsContact C-N 3.27Å; T166-R168 PolarHBondContact O-N 3.09Å; T166-L169 PolarHBondContact O-N 3.04Å; T166-L169 VanDerWaalsContact O-N 3.09Å; T166-L170 WeakPolarHBondContact O-CG 3.35Å; T166-L170 PolarHBondContact O-N 3.41Å
167R92.6Very high91.9Very high164 Ų16494.4 Ų94.462%0.61944%0.444SS*.Hα-helixtrans-55.6-40.2172.6-67.9172.2-160-163.17.1112.2D163 M165 R171D163-R167 WeakPolarHBondContact O-CB 3.19Å; D163-R167 WeakPolarHBondContact O-CG 3.41Å; D163-R167 PolarHBondContact O-N 3.28Å; M165-R167 PolarHBondContact O-N 3.11Å; R167-R171 PolarHBondContact O-N 3.2Å
168R93.8Very high92Very high184 Ų18496.3 Ų96.369%0.69446%0.455SS*.Hα-helixtrans-69.2-37.6176.1-73.8168.3-175.4-167.92.1112.7A164 M165 T166 K172A164-R168 WeakPolarHBondContact O-CD 3.4Å; A164-R168 WeakPolarHBondContact O-CG 3.32Å; A164-R168 PolarHBondContact O-N 3.38Å; M165-R168 WeakPolarHBondContact O-CB 3.46Å; M165-R168 PolarHBondContact O-N 2.95Å; M165-R168 VanDerWaalsContact O-N 3.11Å; T166-R168 VanDerWaalsContact C-N 3.27Å; T166-R168 PolarHBondContact O-N 3.09Å; R168-K172 PolarHBondContact O-N 2.91Å
169L92.6Very high92Very high50 Ų50100.6 Ų100.626%0.26247%0.469SS..Hα-helixtrans-65.4-49.6175.9-73.4172.2000111.3M165 T166 R171 K172 E173 F192M165-L169 HydrophobicContact CE-CD1 4.25Å; M165-L169 HydrophobicContact CG-CD1 4.34Å; M165-L169 PolarHBondContact O-N 2.9Å; T166-L169 PolarHBondContact O-N 3.04Å; T166-L169 VanDerWaalsContact O-N 3.09Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 3.2Å; L169-K172 WeakPolarHBondContact O-CA 3.27Å; L169-K172 WeakPolarHBondContact O-CB 3.44Å; L169-K172 PolarHBondContact O-N 3.29Å; L169-E173 PolarHBondContact O-N 2.78Å; L169-F192 HydrophobicContact CB-CD2 4.42Å; L169-F192 HydrophobicContact CB-CG 4.39Å; L169-F192 HydrophobicContact CD1-CD1 4.31Å; L169-F192 HydrophobicContact CD1-CE1 4.45Å; L169-F192 HydrophobicContact CD2-CE2 4.48Å
170L91.8Very high92Very high48 Ų4897.2 Ų97.225%0.25144%0.444SS..Hα-helixtrans-58.3-37.1177.5-63.3171.6000112.4T166 K172 S174 F192 A193 K196T166-L170 WeakPolarHBondContact O-CG 3.35Å; T166-L170 PolarHBondContact O-N 3.41Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.26Å; L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 2.87Å; L170-S174 PolarHBondContact O-OG 2.91Å; L170-F192 HydrophobicContact CD2-CB 4.26Å; L170-A193 VanDerWaalsContact CD2-CA 3.44Å; L170-A193 HydrophobicContact CD2-CB 3.91Å; L170-K196 HydrophobicContact CD1-CD 4.17Å
171R93.4Very high91.9Very high160 Ų16093 Ų9360%0.60444%0.437SS*.Hα-helixtrans-67.8-29.7173.9-169.5179.6-176.2-164.84113R167 L169 S174 R175R167-R171 PolarHBondContact O-N 3.2Å; L169-R171 VanDerWaalsContact C-N 3.26Å; L169-R171 PolarHBondContact O-N 3.2Å; R171-S174 PolarHBondContact O-OG 3.5Å; R171-R175 WeakPolarHBondContact O-CD 3.37Å; R171-R175 VanDerWaalsContact O-CG 3.27Å; R171-R175 WeakPolarHBondContact O-CG 3.44Å
172K93.4Very high92Very high153 Ų15396.3 Ų96.367%0.66545%0.452SS*.Hα-helixtrans-77.8-44.9174.2-74.4-175.5174.4-168.20111.4R168 L169 L170 R175 L176R168-K172 PolarHBondContact O-N 2.91Å; L169-K172 WeakPolarHBondContact O-CA 3.27Å; L169-K172 WeakPolarHBondContact O-CB 3.44Å; L169-K172 PolarHBondContact O-N 3.29Å; L170-K172 VanDerWaalsContact C-N 3.34Å; L170-K172 PolarHBondContact O-N 3.26Å; K172-R175 WeakPolarHBondContact O-CB 3.36Å; K172-R175 PolarHBondContact O-N 3.26Å; K172-L176 PolarHBondContact O-N 3.31Å
173E92.4Very high92.2Very high18 Ų1899.2 Ų99.28%0.08446%0.463CS..Hα-helixtrans-55.8-51.1176.7-179.2-176.6178.500111.8L169 R175 L176 R177 G191 F192 A193L169-E173 PolarHBondContact O-N 2.78Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.32Å; E173-L176 PolarHBondContact O-N 2.89Å; E173-L176 VanDerWaalsContact O-N 3.11Å; E173-R177 PolarHBondContact O-N 3.04Å; E173-R177 IonicContact OE1-CZ 2.95Å; E173-R177 IonicContact OE1-NH1 2.64Å; E173-R177 PolarHBondContact OE1-NH1 2.95Å; E173-R177 IonicContact OE1-NH2 3.85Å; E173-R177 PolarHBondContact OE1-NH2 3.33Å; E173-G191 WeakPolarHBondContact OE1-CA 3.45Å; E173-F192 HydrophobicContact CB-CD2 4.5Å; E173-F192 PolarHBondContact OE1-N 3.4Å; E173-F192 WeakPolarHBondContact OE2-CB 3.45Å; E173-F192 PolarHBondContact OE2-N 3.47Å; E173-A193 PolarHBondContact OE1-N 3.46Å; E173-A193 PolarHBondContact OE2-N 3.45Å; E173-A193 VanDerWaalsContact OE2-N 3.12Å
174S90.7Very high92.3Very high57 Ų5798.8 Ų98.840%0.39948%0.476SS..Hα-helixtrans-62.3-32.2177.450.70000113.7L170 R171 K178L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 2.87Å; L170-S174 PolarHBondContact O-OG 2.91Å; R171-S174 PolarHBondContact O-OG 3.5Å; S174-K178 VanDerWaalsContact O-CG 3.31Å; S174-K178 WeakPolarHBondContact O-CG 3.31Å; S174-K178 PolarHBondContact O-N 3.11Å
175R93.1Very high92.1Very high147 Ų147100.2 Ų100.256%0.55548%0.481SS*.Hα-helixtrans-71.3-39172.4-76.4172.8167.5-169.4-8.8112.2R171 K172 E173 K179R171-R175 WeakPolarHBondContact O-CD 3.37Å; R171-R175 VanDerWaalsContact O-CG 3.27Å; R171-R175 WeakPolarHBondContact O-CG 3.44Å; K172-R175 WeakPolarHBondContact O-CB 3.36Å; K172-R175 PolarHBondContact O-N 3.26Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.32Å; R175-K179 PolarHBondContact O-N 3.18Å
176L90.5Very high91.8Very high94 Ų94105.8 Ų105.849%0.49251%0.505SS..Hα-helixtrans-67.3-48.9178.1-17862000111.2K172 E173 K178 K179 L180K172-L176 PolarHBondContact O-N 3.31Å; E173-L176 PolarHBondContact O-N 2.89Å; E173-L176 VanDerWaalsContact O-N 3.11Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 2.83Å; L176-K179 WeakPolarHBondContact O-CB 3.47Å; L176-K179 PolarHBondContact O-N 3.32Å; L176-L180 HydrophobicContact CD1-CD1 4.49Å; L176-L180 HydrophobicContact CD1-CG 4.44Å; L176-L180 HydrophobicContact CG-CD1 4.11Å; L176-L180 HydrophobicContact CG-CG 4.48Å; L176-L180 PolarHBondContact O-N 3.02Å
177R89.5Confident91.4Very high75 Ų75108.8 Ų108.828%0.28351%0.512SS..Hα-helixtrans-56.4-39.3176.1-75.4-169178.6129.87.6112.5E173 L180 A181 Y187 F189 P190E173-R177 PolarHBondContact O-N 3.04Å; E173-R177 IonicContact OE1-CZ 2.95Å; E173-R177 IonicContact OE1-NH1 2.64Å; E173-R177 PolarHBondContact OE1-NH1 2.95Å; E173-R177 IonicContact OE1-NH2 3.85Å; E173-R177 PolarHBondContact OE1-NH2 3.33Å; R177-L180 PolarHBondContact O-N 3.3Å; R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.23Å; R177-Y187 HydrophobicContact CG-CD1 4.14Å; R177-F189 PolarHBondContact NH2-O 2.8Å; R177-P190 PolarHBondContact NH2-O 2.92Å; R177-P190 VanDerWaalsContact NH2-O 3.14Å
178K92.4Very high90.8Very high150 Ų150108.8 Ų108.865%0.65252%0.524SS*.Hα-helixtrans-61.8-41.3174.3-76.7-179.1179.2-162.30112.9S174 L176 Q182S174-K178 VanDerWaalsContact O-CG 3.31Å; S174-K178 WeakPolarHBondContact O-CG 3.31Å; S174-K178 PolarHBondContact O-N 3.11Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 2.83Å; K178-Q182 VanDerWaalsContact O-CG 3.26Å; K178-Q182 WeakPolarHBondContact O-CG 3.45Å; K178-Q182 PolarHBondContact O-N 2.86Å; K178-Q182 VanDerWaalsContact O-N 3.08Å
179K94.9Very high90.2Very high134 Ų134105.9 Ų105.958%0.58352%0.517SS*.Hα-helixtrans-66.5-44.4175.8-71.7-173.8170.9-1570112.3R175 L176 A181 Q182 Q183R175-K179 PolarHBondContact O-N 3.18Å; L176-K179 WeakPolarHBondContact O-CB 3.47Å; L176-K179 PolarHBondContact O-N 3.32Å; K179-A181 PolarHBondContact O-N 2.95Å; K179-Q182 WeakPolarHBondContact O-CB 3.42Å; K179-Q182 PolarHBondContact O-N 3.13Å; K179-Q183 WeakPolarHBondContact O-CG 3.44Å; K179-Q183 PolarHBondContact O-N 3.08Å
180L91.4Very high89.6Confident32 Ų32107.3 Ų107.317%0.16853%0.529CS..Hα-helixtrans-61.4-44.4177.8-67.8172.9000111.4L176 R177 Q182 Q183 G184 V185 Y187L176-L180 HydrophobicContact CD1-CD1 4.49Å; L176-L180 HydrophobicContact CD1-CG 4.44Å; L176-L180 HydrophobicContact CG-CD1 4.11Å; L176-L180 HydrophobicContact CG-CG 4.48Å; L176-L180 PolarHBondContact O-N 3.02Å; R177-L180 PolarHBondContact O-N 3.3Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 3.12Å; L180-Q183 CarbonylContact O-C 3.5Å; L180-Q183 WeakPolarHBondContact O-CA 3.45Å; L180-Q183 PolarHBondContact O-N 2.95Å; L180-G184 PolarHBondContact O-N 3.46Å; L180-V185 CarbonylContact C-O 3.4Å; L180-V185 HydrophobicContact CB-CB 4.32Å; L180-V185 PolarHBondContact O-N 3.12Å; L180-Y187 HydrophobicContact CD1-CD1 4.28Å; L180-Y187 HydrophobicContact CD1-CD2 3.74Å; L180-Y187 HydrophobicContact CD1-CE2 4.36Å; L180-Y187 HydrophobicContact CD1-CG 3.69Å
181A90.6Very high89.3Confident68 Ų68105.7 Ų105.756%0.56252%0.524SS*.Hα-helixtrans-62.2-36.8174.900000113.1R177 K179 Q183 G184R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.23Å; K179-A181 PolarHBondContact O-N 2.95Å; A181-Q183 VanDerWaalsContact C-N 3.26Å; A181-Q183 PolarHBondContact O-N 3.47Å; A181-G184 PolarHBondContact O-N 3.41Å; A181-G184 VanDerWaalsContact O-N 3.13Å
182Q94.6Very high88.6Confident161 Ų161102.8 Ų102.875%0.75252%0.516SS*.Hα-helixtrans-65.4-28.7172.7-74.9169.2-2800112.9K178 K179 L180 G184K178-Q182 VanDerWaalsContact O-CG 3.26Å; K178-Q182 WeakPolarHBondContact O-CG 3.45Å; K178-Q182 PolarHBondContact O-N 2.86Å; K178-Q182 VanDerWaalsContact O-N 3.08Å; K179-Q182 WeakPolarHBondContact O-CB 3.42Å; K179-Q182 PolarHBondContact O-N 3.13Å; L180-Q182 VanDerWaalsContact C-N 3.33Å; L180-Q182 PolarHBondContact O-N 3.12Å; Q182-G184 VanDerWaalsContact C-N 3.28Å
183Q94.8Very high87.8Confident147 Ų14797.3 Ų97.369%0.68750%0.499SS*.THydrogen-bonded Turntrans-8912.5174.1-64.8179.8-60.800112.7K179 L180 A181 V185K179-Q183 WeakPolarHBondContact O-CG 3.44Å; K179-Q183 PolarHBondContact O-N 3.08Å; L180-Q183 CarbonylContact O-C 3.5Å; L180-Q183 WeakPolarHBondContact O-CA 3.45Å; L180-Q183 PolarHBondContact O-N 2.95Å; A181-Q183 VanDerWaalsContact C-N 3.26Å; A181-Q183 PolarHBondContact O-N 3.47Å; Q183-V185 PolarHBondContact O-N 3.42Å
184G92.1Very high87.1Confident64 Ų6498.2 Ų98.266%0.6651%0.51SS*.THydrogen-bonded Turntrans750.2179.500000115.4L180 A181 Q182 Q186L180-G184 PolarHBondContact O-N 3.46Å; A181-G184 PolarHBondContact O-N 3.41Å; A181-G184 VanDerWaalsContact O-N 3.13Å; Q182-G184 VanDerWaalsContact C-N 3.28Å; G184-Q186 PolarHBondContact O-N 2.98Å
185V89.8Confident86.1Confident72 Ų72101 Ų10144%0.43652%0.517SS..  trans-86109.6-177.5-177.50000110.2L180 Q183 Y187L180-V185 CarbonylContact C-O 3.4Å; L180-V185 HydrophobicContact CB-CB 4.32Å; L180-V185 PolarHBondContact O-N 3.12Å; Q183-V185 PolarHBondContact O-N 3.42Å; V185-Y187 PolarHBondContact O-N 3.48Å
186Q82Confident84.8Confident195 Ų19599.1 Ų99.191%0.91151%0.512SS*.  trans-72.1122.7169.6-63-163.614.600110G184G184-Q186 PolarHBondContact O-N 2.98Å
187Y82.2Confident83.3Confident112 Ų112102.1 Ų102.144%0.43952%0.521SS..  trans-119.786.5-173.6-169.8-96.8000111.3R177 L180 V185 F189R177-Y187 HydrophobicContact CG-CD1 4.14Å; L180-Y187 HydrophobicContact CD1-CD1 4.28Å; L180-Y187 HydrophobicContact CD1-CD2 3.74Å; L180-Y187 HydrophobicContact CD1-CE2 4.36Å; L180-Y187 HydrophobicContact CD1-CG 3.69Å; V185-Y187 PolarHBondContact O-N 3.48Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 HydrophobicContact CD1-CB 4.4Å; Y187-F189 HydrophobicContact CE1-CB 3.78Å; Y187-F189 HydrophobicContact CE2-CB 4.47Å; Y187-F189 PolarHBondContact O-N 3.45Å
188D80.1Confident81.7Confident163 Ų163102.5 Ų102.587%0.87253%0.532SS*.  trans-90.618.4-173.5-160.229.8000114.3
189F81.3Confident79.9Confident124 Ų124100.9 Ų100.954%0.54454%0.535SS..  trans-77.7127.2174.1-176-101.2000110.5R177 Y187 G191R177-F189 PolarHBondContact NH2-O 2.8Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 HydrophobicContact CD1-CB 4.4Å; Y187-F189 HydrophobicContact CE1-CB 3.78Å; Y187-F189 HydrophobicContact CE2-CB 4.47Å; Y187-F189 PolarHBondContact O-N 3.45Å; F189-G191 VanDerWaalsContact C-N 3.27Å; F189-G191 PolarHBondContact O-N 3.18Å; F189-G191 VanDerWaalsContact O-N 3.13Å
190P80.9Confident77.9Confident80 Ų8099.4 Ų99.452%0.51954%0.541SS..  trans-62.1-25-170.219-32.1000115.6R177 A194R177-P190 PolarHBondContact NH2-O 2.92Å; R177-P190 VanDerWaalsContact NH2-O 3.14Å; P190-A194 HydrophobicContact CB-CB 3.71Å
191G84.8Confident76Confident13 Ų13101.5 Ų101.513%0.13456%0.564CS.*Hα-helixtrans64.5-159.516800000115.7E173 F189 A193E173-G191 WeakPolarHBondContact OE1-CA 3.45Å; F189-G191 VanDerWaalsContact C-N 3.27Å; F189-G191 PolarHBondContact O-N 3.18Å; F189-G191 VanDerWaalsContact O-N 3.13Å; G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 3.48Å
192F80.1Confident73.7Confident99 Ų99102 Ų10243%0.43456%0.559SS.*Hα-helixtrans-74.1-22-176.5-56.1-75.4000112.3L169 L170 E173 A194 Q195 K196L169-F192 HydrophobicContact CB-CD2 4.42Å; L169-F192 HydrophobicContact CB-CG 4.39Å; L169-F192 HydrophobicContact CD1-CD1 4.31Å; L169-F192 HydrophobicContact CD1-CE1 4.45Å; L169-F192 HydrophobicContact CD2-CE2 4.48Å; L170-F192 HydrophobicContact CD2-CB 4.26Å; E173-F192 HydrophobicContact CB-CD2 4.5Å; E173-F192 PolarHBondContact OE1-N 3.4Å; E173-F192 WeakPolarHBondContact OE2-CB 3.45Å; E173-F192 PolarHBondContact OE2-N 3.47Å; F192-A194 VanDerWaalsContact C-N 3.33Å; F192-A194 PolarHBondContact O-N 3.12Å; F192-Q195 PolarHBondContact O-N 3.28Å; F192-K196 PolarHBondContact O-N 3.23Å
193A75.3Confident71.5Confident38 Ų38102.8 Ų102.831%0.31457%0.568SS.*Hα-helixtrans-62.7-35.4176.100000113.5L170 E173 G191L170-A193 VanDerWaalsContact CD2-CA 3.44Å; L170-A193 HydrophobicContact CD2-CB 3.91Å; E173-A193 PolarHBondContact OE1-N 3.46Å; E173-A193 PolarHBondContact OE2-N 3.45Å; E173-A193 VanDerWaalsContact OE2-N 3.12Å; G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 3.48Å
194A77.3Confident69.3Low37 Ų37103 Ų10331%0.30657%0.573SS.*Hα-helixtrans-74.6-43.2176.900000112.3P190 F192 K196 K197 T198P190-A194 HydrophobicContact CB-CB 3.71Å; F192-A194 VanDerWaalsContact C-N 3.33Å; F192-A194 PolarHBondContact O-N 3.12Å; A194-K196 PolarHBondContact O-N 3.14Å; A194-K197 WeakPolarHBondContact O-CB 3.37Å; A194-K197 PolarHBondContact O-N 3.13Å; A194-T198 PolarHBondContact O-N 2.71Å
195Q70.4Confident66.9Low117 Ų117103.7 Ų103.755%0.54757%0.573SS.*Hα-helixtrans-60.4-28.5-178.6-67.2178.6-1700113.4F192 K197 T198F192-Q195 PolarHBondContact O-N 3.28Å; Q195-K197 VanDerWaalsContact C-N 3.29Å; Q195-K197 PolarHBondContact O-N 2.89Å; Q195-T198 PolarHBondContact O-OG1 3.28Å; Q195-T198 VanDerWaalsContact O-OG1 3.08Å
196K65.5Low65Low107 Ų107106.2 Ų106.247%0.46559%0.594SS.*Hα-helixtrans-67.9-27.5173.9-172.9177.4177.6-170.40113.1L170 F192 A194 T199L170-K196 HydrophobicContact CD1-CD 4.17Å; F192-K196 PolarHBondContact O-N 3.23Å; A194-K196 PolarHBondContact O-N 3.14Å; K196-T199 PolarHBondContact O-OG1 3.04Å
197K59.9Low63.3Low157 Ų157102.2 Ų102.268%0.68359%0.588SS**Hα-helixtrans-81.6-31.7-177.8-62.9-177.1178.5-177.30112.4A194 Q195 S200A194-K197 WeakPolarHBondContact O-CB 3.37Å; A194-K197 PolarHBondContact O-N 3.13Å; Q195-K197 VanDerWaalsContact C-N 3.29Å; Q195-K197 PolarHBondContact O-N 2.89Å; K197-S200 PolarHBondContact O-OG 3.49Å
198T55.9Low61.3Low83 Ų83102.4 Ų102.451%0.50960%0.604SS.*Hα-helixtrans-73.1-40.8-177.152.70000112.2A194 Q195 S200 A201 V202A194-T198 PolarHBondContact O-N 2.71Å; Q195-T198 PolarHBondContact O-OG1 3.28Å; Q195-T198 VanDerWaalsContact O-OG1 3.08Å; T198-S200 PolarHBondContact O-N 2.95Å; T198-S200 VanDerWaalsContact O-N 3.13Å; T198-A201 PolarHBondContact O-N 2.92Å; T198-V202 PolarHBondContact O-N 3.24Å; T198-V202 VanDerWaalsContact O-N 3.09Å
199T53.9Low59.7Low116 Ų11699.4 Ų99.471%0.71260%0.596SS**THydrogen-bonded Turntrans-64.2-18.5-179.955.90000114.6K196K196-T199 PolarHBondContact O-OG1 3.04Å
200S52.5Low58.3Low102 Ų102100.8 Ų100.871%0.71361%0.609SS**THydrogen-bonded Turntrans-93.9-9.5175.147.80000114.1K197 T198K197-S200 PolarHBondContact O-OG 3.49Å; T198-S200 PolarHBondContact O-N 2.95Å; T198-S200 VanDerWaalsContact O-N 3.13Å
201A52Low56.3Low77 Ų77105.2 Ų105.264%0.63662%0.623SS**THydrogen-bonded Turntrans-117-30-169.700000113.8T198T198-A201 PolarHBondContact O-N 2.92Å
202V41.9Very low54.3Low78 Ų78110.9 Ų110.947%0.47366%0.655SS.*  trans-146.4116.9-166.8179.60000111.5T198 D204 A205T198-V202 PolarHBondContact O-N 3.24Å; T198-V202 VanDerWaalsContact O-N 3.09Å; V202-D204 VanDerWaalsContact CG1-O 3.27Å; V202-D204 WeakPolarHBondContact CG1-O 3.45Å; V202-A205 HydrophobicContact CG1-CB 4Å
203L47.8Very low52.9Low177 Ų177111.4 Ų111.493%0.92767%0.667SS**SBendtrans-88-9.8158.9-79.4169.8000112.3
204D48.5Very low51.6Low151 Ų151115.6 Ų115.681%0.80769%0.69SS**SBendtrans-126.575-173.5-67.2-62.3000113.3V202V202-D204 VanDerWaalsContact CG1-O 3.27Å; V202-D204 WeakPolarHBondContact CG1-O 3.45Å
205A42.4Very low50.1Low79 Ų79119.5 Ų119.565%0.65371%0.71SS**  trans-178.896.3153.300000111.3V202 S207V202-A205 HydrophobicContact CG1-CB 4Å; A205-S207 PolarHBondContact O-N 3.03Å
206S50.7Low49.2Very low126 Ų126117.9 Ų117.988%0.88171%0.711SS**  trans-75.777.2160.9176.20000109.7C208S206-C208 PolarHBondContact O-N 3.41Å
207S45.7Very low48.6Very low110 Ų110116.5 Ų116.577%0.76971%0.711SS**  trans-94.287.7167.8-1710000109.9A205A205-S207 PolarHBondContact O-N 3.03Å
208C39.3Very low48.2Very low117 Ų117113.5 Ų113.579%0.79171%0.708SS**  trans-113.8113.5159.7-69.60000107S206 D210S206-C208 PolarHBondContact O-N 3.41Å; C208-D210 PolarHBondContact O-N 3.41Å
209S48.3Very low48.1Very low100 Ų100113 Ų11370%0.69971%0.708SS**  trans-66123.2-174.450.40000113.4Q211S209-Q211 PolarHBondContact O-N 3.08Å
210D51.7Low47.9Very low152 Ų152112.7 Ų112.781%0.81370%0.697SS**SBend40.147.2127-54.2-26.5000119C208C208-D210 PolarHBondContact O-N 3.41Å
211Q38.7Very low48Very low173 Ų173112.3 Ų112.381%0.80869%0.686SS**  trans-13697.9149-81.1-61.8-23.600108.9S209 T213S209-Q211 PolarHBondContact O-N 3.08Å; Q211-T213 VanDerWaalsContact C-N 3.34Å; Q211-T213 PolarHBondContact O-N 3.44Å
212T41.8Very low48.2Very low133 Ų133114.4 Ų114.482%0.81668%0.683SS**  trans-71.884.6-177-50.70000110.9P214T212-P214 VanDerWaalsContact O-CD 3.31Å; T212-P214 WeakPolarHBondContact O-CD 3.26Å
213T51.3Low48.8Very low110 Ų110120 Ų12068%0.67570%0.696SS**  trans-68.9117.8158.4550000108.2Q211 V215Q211-T213 VanDerWaalsContact C-N 3.34Å; Q211-T213 PolarHBondContact O-N 3.44Å; T213-V215 VanDerWaalsContact C-N 3.32Å; T213-V215 PolarHBondContact O-N 3.07Å
214P47.8Very low49Very low125 Ų125120.1 Ų120.181%0.81268%0.684SS**  trans-7881.2-173.831.1-34.8000110.8T212T212-P214 VanDerWaalsContact O-CD 3.31Å; T212-P214 WeakPolarHBondContact O-CD 3.26Å
215V47.1Very low49.2Very low119 Ų119120.6 Ų120.672%0.72168%0.679SS**  trans-113.6101.6176.7-178.50000110.4T213 T217T213-V215 VanDerWaalsContact C-N 3.32Å; T213-V215 PolarHBondContact O-N 3.07Å; V215-T217 PolarHBondContact O-N 3.2Å
216C49.4Very low49.2Very low84 Ų84121 Ų12157%0.56868%0.676SS**  trans32.480161.4-710000116.9
217T53Low48.9Very low77 Ų77119.9 Ų119.947%0.47267%0.665SS.*  trans-62.7153.5160.753.40000111.3V215 S219 F220 L221V215-T217 PolarHBondContact O-N 3.2Å; T217-S219 PolarHBondContact O-N 3.01Å; T217-S219 PolarHBondContact OG1-OG 3.18Å; T217-F220 WeakPolarHBondContact O-CB 3.43Å; T217-F220 PolarHBondContact O-N 3.13Å; T217-L221 PolarHBondContact O-N 2.95Å
218P52.7Low48.8Very low94 Ų94119.9 Ų119.961%0.6166%0.66SS**Hα-helixtrans-59.1-31.9176.423.1-33.2000112.5F220 L221 E222P218-F220 PolarHBondContact O-N 3.09Å; P218-L221 CarbonylContact O-C 3.39Å; P218-L221 WeakPolarHBondContact O-CA 3.27Å; P218-L221 WeakPolarHBondContact O-CB 3.37Å; P218-L221 PolarHBondContact O-N 2.99Å; P218-E222 PolarHBondContact O-N 3.25Å
219S53.9Low48.9Very low72 Ų72119.9 Ų119.950%0.50366%0.656SS.*Hα-helixtrans-58.5-31.7172.855.50000113.6T217 R223T217-S219 PolarHBondContact O-N 3.01Å; T217-S219 PolarHBondContact OG1-OG 3.18Å; S219-R223 VanDerWaalsContact O-CB 3.3Å; S219-R223 WeakPolarHBondContact O-CB 3.49Å; S219-R223 PolarHBondContact O-N 3.43Å
220F50.2Low48.4Very low111 Ų111121.7 Ų121.749%0.48766%0.657SS.*Hα-helixtrans-75.4-27.1175.5-157.8-89.2000112.3T217 P218T217-F220 WeakPolarHBondContact O-CB 3.43Å; T217-F220 PolarHBondContact O-N 3.13Å; P218-F220 PolarHBondContact O-N 3.09Å
221L53.3Low48.2Very low93 Ų93121.6 Ų121.649%0.48766%0.656SS.*Hα-helixtrans-81.5-33.1173-84.5156.9000112.3T217 P218 R224 K225T217-L221 PolarHBondContact O-N 2.95Å; P218-L221 CarbonylContact O-C 3.39Å; P218-L221 WeakPolarHBondContact O-CA 3.27Å; P218-L221 WeakPolarHBondContact O-CB 3.37Å; P218-L221 PolarHBondContact O-N 2.99Å; L221-R224 PolarHBondContact O-N 3.24Å; L221-K225 WeakPolarHBondContact O-CG 3.31Å; L221-K225 PolarHBondContact O-N 2.85Å
222E55.8Low48.2Very low121 Ų121120.6 Ų120.657%0.56566%0.656SS**Hα-helixtrans-71-40.2172.8-75168.7146.800111.2P218 R224 K225 S226P218-E222 PolarHBondContact O-N 3.25Å; E222-R224 PolarHBondContact O-N 2.9Å; E222-R224 VanDerWaalsContact O-N 3.12Å; E222-K225 CarbonylContact O-C 3.52Å; E222-K225 WeakPolarHBondContact O-CA 3.3Å; E222-K225 PolarHBondContact O-N 3.43Å; E222-S226 PolarHBondContact O-N 3.44Å; E222-S226 PolarHBondContact O-OG 2.98Å
223R55.2Low48.8Very low197 Ų197123.3 Ų123.374%0.74366%0.66SS**THydrogen-bonded Turntrans-61.5-20173.1-156.1174.1-160.1175.85.9113.9S219S219-R223 VanDerWaalsContact O-CB 3.3Å; S219-R223 WeakPolarHBondContact O-CB 3.49Å; S219-R223 PolarHBondContact O-N 3.43Å
224R52.4Low48.5Very low179 Ų179127.1 Ų127.168%0.67567%0.67SS**THydrogen-bonded Turntrans-92.4-8.3171-82.3-176.2168.3166.8-1.6114.6L221 E222L221-R224 PolarHBondContact O-N 3.24Å; E222-R224 PolarHBondContact O-N 2.9Å; E222-R224 VanDerWaalsContact O-N 3.12Å
225K52.5Low48.6Very low161 Ų161129.4 Ų129.470%0.768%0.676SS**THydrogen-bonded Turntrans-101.1-26.9172.4-71.2173.6179.7178.30112.1L221 E222 T227L221-K225 WeakPolarHBondContact O-CG 3.31Å; L221-K225 PolarHBondContact O-N 2.85Å; E222-K225 CarbonylContact O-C 3.52Å; E222-K225 WeakPolarHBondContact O-CA 3.3Å; E222-K225 PolarHBondContact O-N 3.43Å; K225-T227 VanDerWaalsContact C-N 3.3Å
226S42.9Very low48.3Very low87 Ų87128.9 Ų128.961%0.60868%0.677SS**SBendtrans-79.9-8.7178.466.70000113.7E222 V228E222-S226 PolarHBondContact O-N 3.44Å; E222-S226 PolarHBondContact O-OG 2.98Å; S226-V228 PolarHBondContact O-N 3.25Å
227T43.4Very low48.4Very low103 Ų103133.4 Ų133.463%0.63269%0.69SS**  trans-76.966.7165.253.80000109.6K225 V229K225-T227 VanDerWaalsContact C-N 3.3Å; T227-V229 PolarHBondContact O-N 3.42Å
228V44.2Very low47.7Very low110 Ų110137.2 Ų137.267%0.66771%0.706SS**  trans-70.3117.8151.7174.10000105S226 L230S226-V228 PolarHBondContact O-N 3.25Å; V228-L230 HydrophobicContact CG1-CD2 4.41Å; V228-L230 PolarHBondContact O-N 3.44Å; V228-L230 VanDerWaalsContact O-N 3.12Å
229V41.2Very low47.1Very low116 Ų116139.6 Ų139.670%0.70371%0.712SS**  trans-65.2110.7166.9-179.80000105.8T227T227-V229 PolarHBondContact O-N 3.42Å
230L38.5Very low46.1Very low139 Ų139143.7 Ų143.773%0.72873%0.727SS**  trans-88.3121.2153.8-66.2178000105V228 D232V228-L230 HydrophobicContact CG1-CD2 4.41Å; V228-L230 PolarHBondContact O-N 3.44Å; V228-L230 VanDerWaalsContact O-N 3.12Å; L230-D232 PolarHBondContact O-N 3.49Å
231D47.2Very low45.9Very low150 Ų150147.9 Ų147.980%0.80275%0.745SS**  trans-67.9108.3168.3-60.9-62.4000107.3
232D39.5Very low45.4Very low151 Ų151151.4 Ų151.481%0.80776%0.761SS**  trans-143.8136164.2-85-51.7000107.9L230L230-D232 PolarHBondContact O-N 3.49Å
233E53.3Low45.2Very low190 Ų190151.4 Ų151.489%0.88877%0.772SS**  trans-82.1131.3-167.5-56175.6138.600111.7
234E46.1Very low44.8Very low191 Ų191146.4 Ų146.489%0.89377%0.772SS**  trans171.5126.6136-95.9173-16400111.4
235D48.8Very low44.5Very low173 Ų173142.2 Ų142.293%0.92578%0.776SS**  trans-70.7130.5-176.9-71.3-53.8000112.8
236S41.8Very low44.5Very low108 Ų108142.2 Ų142.276%0.75578%0.784SS**  trans-140.2105.9163.942.50000111.8I238S236-I238 PolarHBondContact O-N 3.48Å
237E51.3Low44.9Very low178 Ų178145.6 Ų145.683%0.83279%0.788SS**  trans-66.3125.7-179.4-63.2-176.9145.900111.9I239E237-I239 PolarHBondContact O-N 3.45Å
238I38.7Very low45.1Very low157 Ų157148.8 Ų148.881%0.80580%0.801SS**  trans-86.895.4178.4-56.9174.9000109.8S236 L240S236-I238 PolarHBondContact O-N 3.48Å; I238-L240 PolarHBondContact O-N 2.93Å
239I38.8Very low45.2Very low144 Ų144149 Ų14974%0.73880%0.799SS**  trans-79.9108.9174.5-58175.6000110.1E237 K241E237-I239 PolarHBondContact O-N 3.45Å; I239-K241 PolarHBondContact O-N 2.88Å
240L34Very low45.4Very low159 Ų159151 Ų15183%0.83281%0.805SS**  trans-80.2107.2172.1-81.5161.2000110.8I238I238-L240 PolarHBondContact O-N 2.93Å
241K45.9Very low45.6Very low199 Ų199152.8 Ų152.887%0.86582%0.815SS**  trans-91.3106.3177.3-161.8144.8-175.3168.10110.6I239I239-K241 PolarHBondContact O-N 2.88Å
242M42.4Very low45.4Very low167 Ų167152.4 Ų152.482%0.82381%0.813SS**PPolyproline II helixtrans-75.5146.3173-69.7-178.963.600111
243P51.6Low45.2Very low120 Ų120151.7 Ų151.778%0.77982%0.818SS**PPolyproline II helixtrans-68.2153.8170.830.2-34.3000111
244A46.6Very low44.5Very low92 Ų92149 Ų14976%0.7681%0.81SS**PPolyproline II helixtrans-69.6151178.800000111.5
245A46.6Very low44.1Very low92 Ų92147.3 Ų147.376%0.7680%0.804SS**PPolyproline II helixtrans-91.9123.3169.200000108.9
246D52.5Low43.6Very low160 Ų160146 Ų14686%0.85679%0.792SS**PPolyproline II helixtrans-72.7138.5167.5-63.1-48.9000109.2
247K50.5Low43.8Very low158 Ų158150 Ų15069%0.68780%0.799SS**  trans-112.4135.9171.5-66.9-179.3173-169.60108.1
248D46.9Very low43.4Very low171 Ų171149.9 Ų149.991%0.91480%0.799SS**  trans-139.3122.5154.5-79.2-54.3000107
249D47.4Very low43.7Very low115 Ų115151.3 Ų151.362%0.61580%0.802SS**  trans-128.7132.9-168.2-33-69.4000106.6
250D45.8Very low43.7Very low157 Ų157152.2 Ų152.284%0.8481%0.808SS**  cis-149.9167.36.5-69.8-64.4000109.7
251D42.8Very low43.8Very low176 Ų176149.6 Ų149.694%0.94180%0.804SS**  trans-147.6126.7158.1-124.8-21.4000112.2
252D43.2Very low43.3Very low143 Ų143148.1 Ų148.177%0.76581%0.805SS**  trans-112.7127.8-165.7-177.38.2000111.5
253C35.3Very low43.3Very low135 Ų135145.3 Ų145.391%0.91280%0.802SS**  trans-157.790.6169.8-98.70000112.6
254N38.2Very low43Very low135 Ų135145 Ų14572%0.72280%0.802SS**  trans-47.5137.2166.2172.257.8000115.7
255M36.9Very low43.2Very low154 Ų154149.2 Ų149.276%0.75981%0.806SS**  trans-161100.3149-156.495.5-175.400112.9
256E38.8Very low43Very low145 Ų145151.1 Ų151.168%0.67880%0.804SS**  trans55.4130.8139.8-61175.2176.700122.1
257E46.1Very low42.9Very low193 Ų193151.9 Ų151.990%0.90280%0.802SS**  trans-87.6130.4172.5-60.4174.6140.700110.2
258E42Very low43Very low175 Ų175154 Ų15482%0.81882%0.815SS**  trans-112.1116.9168.7-75.8-77.8-167.500109.2D260E258-D260 PolarHBondContact O-N 3.37Å
259E46.4Very low43.6Very low188 Ų188155.1 Ų155.188%0.87981%0.814SS**  trans-87.593.4173.9-70.8-167.2154.100110.2S261E259-S261 PolarHBondContact O-N 3.25Å
260D37.1Very low44Very low162 Ų162154.1 Ų154.187%0.86682%0.822SS**  trans-73.2108.2173-98.7-39000111.4E258E258-D260 PolarHBondContact O-N 3.37Å
261S37.4Very low44.2Very low105 Ų105159.7 Ų159.773%0.73484%0.843SS**  trans-74.9123.7176.359.80000112.4E259 S263E259-S261 PolarHBondContact O-N 3.25Å; S261-S263 PolarHBondContact O-N 3.39Å
262D36.1Very low44.2Very low167 Ų167158.9 Ų158.989%0.89384%0.838SS**  trans-64.5119.5174.4-160.43.1000110.7
263S40.9Very low44.3Very low108 Ų108159.7 Ų159.776%0.75584%0.842SS**  trans-116.9126.3-179.148.90000110.8S261S261-S263 PolarHBondContact O-N 3.39Å
264S46Very low44.8Very low113 Ų113161.1 Ų161.179%0.7984%0.838SS**  trans-118.999.8-165.362.10000112.9
265E49.8Very low45.2Very low181 Ų181162.6 Ų162.685%0.84685%0.845SS**  trans-136.9142.4162-58.2-174.4147.600104.9
266D42.9Very low45.7Very low133 Ų133163.2 Ų163.271%0.71185%0.85SS**  cis-149.3149.645.8-85.4-52.7000115.5
267E50.1Low46.2Very low176 Ų176164.4 Ų164.482%0.82286%0.862SS**  trans43.6118136.4-54.6-171.7150.300122.7
268E53.6Low46.2Very low202 Ų202162.4 Ų162.494%0.94486%0.859SS**  trans-104.8118143.4-83.1-167.1148.300109.7
269E58.9Low46.5Very low195 Ų195161.4 Ų161.491%0.91186%0.862SS**  trans-89.7123.9169.6-176.7-176.1-157.300110.2
270A54.8Low46.5Very low94 Ų94159.2 Ų159.278%0.77786%0.861SS**  trans-155.8112167.700000113.4
271Q50.1Low47.3Very low274 Ų274158.9 Ų158.9100%1.2886%0.86SS**  trans-133.60151.4-74.2-166.70.600109.4

Retrieved 271 of 271 residues in 274.3 ms (Link to these results)