A0A096NRK1_PAPAN Loading...

Short-chain dehydrogenase/reductase 3

Catalyzes the reduction of all-trans-retinal to all-trans-retinol in the presence of NADPH.

AlphaFold DB (H2N919), UniProt , Accession A0A096NRK1, Species PAPAN (Papio anubis, Olive baboon), Gene DHRS3, Length 302 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
1M60.5Low77.5Confident186 Ų186125 Ų12592%0.91664%0.635SS**  0-39.20-150.9174.1-80.200112.7
2V67.6Low78.8Confident103 Ų103124.8 Ų124.862%0.62463%0.627SS**Hα-helixtrans-64.1-45.1177.7179.70000113.7K4 R5 L6V2-K4 PolarHBondContact O-N 3Å; V2-R5 WeakPolarHBondContact O-CB 3.31Å; V2-R5 PolarHBondContact O-N 3.26Å; V2-R5 VanDerWaalsContact O-N 3.09Å; V2-L6 PolarHBondContact O-N 3.21Å
3W67.3Low79.8Confident219 Ų219120.2 Ų120.283%0.8361%0.611SS**Hα-helixtrans-63-34.6-179.3-67.391.8000114.6R5 L6 G7W3-R5 VanDerWaalsContact C-N 3.34Å; W3-L6 PolarHBondContact O-N 2.97Å; W3-G7 PolarHBondContact O-N 3.48Å
4K71.8Confident80.8Confident186 Ų186119.4 Ų119.481%0.80961%0.608SS**Hα-helixtrans-65.9-36.5173.4-74.4-170.9175.5-174.60111.8V2 A8V2-K4 PolarHBondContact O-N 3Å; K4-A8 PolarHBondContact O-N 3.42Å; K4-A8 VanDerWaalsContact O-N 3.13Å
5R77.1Confident81.6Confident179 Ų179118.3 Ų118.368%0.67560%0.6SS**Hα-helixtrans-72.5-38.7176.2-67-177178-177.4-0.6111.7V2 W3 A8 L9V2-R5 WeakPolarHBondContact O-CB 3.31Å; V2-R5 PolarHBondContact O-N 3.26Å; V2-R5 VanDerWaalsContact O-N 3.09Å; W3-R5 VanDerWaalsContact C-N 3.34Å; R5-A8 PolarHBondContact O-N 3.03Å; R5-L9 WeakPolarHBondContact O-CG 3.36Å; R5-L9 PolarHBondContact O-N 3.5Å
6L77.1Confident82.4Confident101 Ų101116 Ų11653%0.52959%0.587SS.*Hα-helixtrans-65.1-42.7174.7-129.388.5000112V2 W3 A8 L9 V10V2-L6 PolarHBondContact O-N 3.21Å; W3-L6 PolarHBondContact O-N 2.97Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A8 PolarHBondContact O-N 3.3Å; L6-L9 WeakPolarHBondContact O-CB 3.31Å; L6-L9 PolarHBondContact O-N 2.63Å; L6-V10 PolarHBondContact O-N 2.88Å
7G80.5Confident83Confident34 Ų34115.4 Ų115.435%0.35159%0.585SS.*Hα-helixtrans-61.7-40.5174.500000112.5W3 L9 V10 V11W3-G7 PolarHBondContact O-N 3.48Å; G7-L9 VanDerWaalsContact C-N 3.3Å; G7-L9 PolarHBondContact O-N 3.19Å; G7-V10 PolarHBondContact O-N 3.02Å; G7-V11 VanDerWaalsContact O-CG2 3.31Å; G7-V11 WeakPolarHBondContact O-CG2 3.48Å; G7-V11 PolarHBondContact O-N 3.13Å
8A85.2Confident83.6Confident58 Ų58116.9 Ų116.948%0.47958%0.583SS.*Hα-helixtrans-61.6-36.2175.800000112.9K4 R5 L6 V10 V11 F12K4-A8 PolarHBondContact O-N 3.42Å; K4-A8 VanDerWaalsContact O-N 3.13Å; R5-A8 PolarHBondContact O-N 3.03Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A8 PolarHBondContact O-N 3.3Å; A8-V10 VanDerWaalsContact C-N 3.27Å; A8-V10 PolarHBondContact O-N 3.21Å; A8-V11 PolarHBondContact O-N 3.28Å; A8-F12 VanDerWaalsContact O-CB 3.24Å; A8-F12 WeakPolarHBondContact O-CB 3.47Å; A8-F12 PolarHBondContact O-N 3.49Å
9L86.7Confident84Confident125 Ų125114.7 Ų114.765%0.65457%0.573SS**Hα-helixtrans-64.6-30.7176.7-72.7168.8000113R5 L6 G7 P13R5-L9 WeakPolarHBondContact O-CG 3.36Å; R5-L9 PolarHBondContact O-N 3.5Å; L6-L9 WeakPolarHBondContact O-CB 3.31Å; L6-L9 PolarHBondContact O-N 2.63Å; G7-L9 VanDerWaalsContact C-N 3.3Å; G7-L9 PolarHBondContact O-N 3.19Å; L9-P13 WeakPolarHBondContact O-CD 3.33Å
10V87.9Confident84.4Confident102 Ų102113.7 Ų113.762%0.61857%0.573SS**Hα-helixtrans-84-37.4177-179.90000111.5L6 G7 A8 P13L6-V10 PolarHBondContact O-N 2.88Å; G7-V10 PolarHBondContact O-N 3.02Å; A8-V10 VanDerWaalsContact C-N 3.27Å; A8-V10 PolarHBondContact O-N 3.21Å; V10-P13 WeakPolarHBondContact O-CD 3.39Å
11V91.1Very high84.7Confident82 Ų82112.2 Ų112.250%0.49757%0.57SS.*Hα-helixtrans-72.1-33.7179.9173.40000111.8G7 A8 L14 Q15G7-V11 VanDerWaalsContact O-CG2 3.31Å; G7-V11 WeakPolarHBondContact O-CG2 3.48Å; G7-V11 PolarHBondContact O-N 3.13Å; A8-V11 PolarHBondContact O-N 3.28Å; V11-L14 PolarHBondContact O-N 3.44Å; V11-Q15 WeakPolarHBondContact O-CB 3.33Å; V11-Q15 PolarHBondContact O-N 3.03Å
12F92.6Very high86Confident123 Ų123109.3 Ų109.354%0.53955%0.552SS.*Hα-helixtrans-58.7-49.6-175.7174.6-98.7000113.9A8 L14 Q15 M16A8-F12 VanDerWaalsContact O-CB 3.24Å; A8-F12 WeakPolarHBondContact O-CB 3.47Å; A8-F12 PolarHBondContact O-N 3.49Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 3.2Å; F12-Q15 WeakPolarHBondContact O-CB 3.39Å; F12-Q15 PolarHBondContact O-N 2.87Å; F12-M16 HydrophobicContact CD1-CG 4.33Å; F12-M16 HydrophobicContact CD2-CG 4.34Å; F12-M16 HydrophobicContact CE1-CG 3.9Å; F12-M16 HydrophobicContact CE2-CG 3.91Å; F12-M16 HydrophobicContact CE2-SD 3.93Å; F12-M16 HydrophobicContact CZ-CG 3.67Å; F12-M16 HydrophobicContact CZ-SD 3.95Å; F12-M16 WeakPolarHBondContact O-CG 3.34Å; F12-M16 PolarHBondContact O-N 2.77Å
13P92.2Very high86.9Confident64 Ų64107.5 Ų107.542%0.41655%0.547SS..Hα-helixtrans-57.9-40.8175.2-25.433.5000113.3L9 V10 M16 I17L9-P13 WeakPolarHBondContact O-CD 3.33Å; V10-P13 WeakPolarHBondContact O-CD 3.39Å; P13-M16 PolarHBondContact O-N 2.93Å; P13-I17 VanDerWaalsContact O-CG1 3.32Å; P13-I17 WeakPolarHBondContact O-CG1 3.21Å; P13-I17 PolarHBondContact O-N 2.96Å
14L93.8Very high87.8Confident110 Ų11099.5 Ų99.558%0.57653%0.528SS*.Hα-helixtrans-65-42.4177.6-64174.3000111.4V11 F12 M16 I17 Y18V11-L14 PolarHBondContact O-N 3.44Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 3.2Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 2.91Å; L14-I17 PolarHBondContact O-N 3.26Å; L14-Y18 WeakPolarHBondContact O-CB 3Å; L14-Y18 PolarHBondContact O-N 2.85Å
15Q92.6Very high88.6Confident103 Ų10394.2 Ų94.248%0.48151%0.511SS..Hα-helixtrans-61.8-41.9174.8-177177-5.300111.4V11 F12 Y18 L19V11-Q15 WeakPolarHBondContact O-CB 3.33Å; V11-Q15 PolarHBondContact O-N 3.03Å; F12-Q15 WeakPolarHBondContact O-CB 3.39Å; F12-Q15 PolarHBondContact O-N 2.87Å; Q15-Y18 PolarHBondContact O-N 3.38Å; Q15-L19 HydrophobicContact CG-CD1 4.2Å; Q15-L19 WeakPolarHBondContact O-CB 3.38Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.4Å; Q15-L19 PolarHBondContact O-N 3.43Å
16M94.2Very high88.7Confident81 Ų8187.8 Ų87.840%0.39950%0.501SS..Hα-helixtrans-63.8-46.5176.4-71.3-52.2-56.200112F12 P13 L14 Y18 L19 V20F12-M16 HydrophobicContact CD1-CG 4.33Å; F12-M16 HydrophobicContact CD2-CG 4.34Å; F12-M16 HydrophobicContact CE1-CG 3.9Å; F12-M16 HydrophobicContact CE2-CG 3.91Å; F12-M16 HydrophobicContact CE2-SD 3.93Å; F12-M16 HydrophobicContact CZ-CG 3.67Å; F12-M16 HydrophobicContact CZ-SD 3.95Å; F12-M16 WeakPolarHBondContact O-CG 3.34Å; F12-M16 PolarHBondContact O-N 2.77Å; P13-M16 PolarHBondContact O-N 2.93Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 2.91Å; M16-Y18 VanDerWaalsContact C-N 3.32Å; M16-Y18 PolarHBondContact O-N 3.42Å; M16-L19 PolarHBondContact O-N 3.31Å; M16-V20 WeakPolarHBondContact O-CG2 3.5Å; M16-V20 PolarHBondContact O-N 2.98Å
17I93.5Very high88.8Confident106 Ų10690.3 Ų90.354%0.54451%0.514SS..Hα-helixtrans-58.2-47.6175.5-68.7165.7000110.1P13 L14 L19 V20 V21P13-I17 VanDerWaalsContact O-CG1 3.32Å; P13-I17 WeakPolarHBondContact O-CG1 3.21Å; P13-I17 PolarHBondContact O-N 2.96Å; L14-I17 PolarHBondContact O-N 3.26Å; I17-L19 PolarHBondContact O-N 2.95Å; I17-V20 PolarHBondContact O-N 2.86Å; I17-V21 HydrophobicContact CG2-CG2 4.27Å; I17-V21 WeakPolarHBondContact O-CB 3.34Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.39Å; I17-V21 PolarHBondContact O-N 3.2Å
18Y92.9Very high88.9Confident143 Ų14394.6 Ų94.656%0.56153%0.533SS*.Hα-helixtrans-57.1-46.4177167.7-106.2000112.2L14 Q15 M16 V21 K22L14-Y18 WeakPolarHBondContact O-CB 3Å; L14-Y18 PolarHBondContact O-N 2.85Å; Q15-Y18 PolarHBondContact O-N 3.38Å; M16-Y18 VanDerWaalsContact C-N 3.32Å; M16-Y18 PolarHBondContact O-N 3.42Å; Y18-V21 PolarHBondContact O-N 3.31Å; Y18-K22 HydrophobicContact CE1-CD 4.33Å; Y18-K22 WeakPolarHBondContact O-CB 3.39Å; Y18-K22 PolarHBondContact O-N 2.92Å
19L90.9Very high88.8Confident75 Ų7597 Ų9739%0.39354%0.537SS..Hα-helixtrans-65.4-39.9179.5-71.8173000112.4Q15 M16 I17 K22 A23Q15-L19 HydrophobicContact CG-CD1 4.2Å; Q15-L19 WeakPolarHBondContact O-CB 3.38Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.4Å; Q15-L19 PolarHBondContact O-N 3.43Å; M16-L19 PolarHBondContact O-N 3.31Å; I17-L19 PolarHBondContact O-N 2.95Å; L19-K22 PolarHBondContact O-N 3.41Å; L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 2.94Å
20V92.1Very high88.3Confident94 Ų9497.1 Ų97.157%0.5755%0.546SS*.Hα-helixtrans-65.3-47.2176.1171.30000111M16 I17 K22 A23 A24M16-V20 WeakPolarHBondContact O-CG2 3.5Å; M16-V20 PolarHBondContact O-N 2.98Å; I17-V20 PolarHBondContact O-N 2.86Å; V20-K22 PolarHBondContact O-N 2.94Å; V20-A23 PolarHBondContact O-N 3.25Å; V20-A24 WeakPolarHBondContact O-CB 3.45Å; V20-A24 PolarHBondContact O-N 3.5Å
21V91.9Very high87.9Confident83 Ų8395.1 Ų95.150%0.50354%0.54SS..Hα-helixtrans-62.6-44.3177.2172.30000110.5I17 Y18 A23 A24 V25I17-V21 HydrophobicContact CG2-CG2 4.27Å; I17-V21 WeakPolarHBondContact O-CB 3.34Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.39Å; I17-V21 PolarHBondContact O-N 3.2Å; Y18-V21 PolarHBondContact O-N 3.31Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.34Å; V21-A24 PolarHBondContact O-N 2.9Å; V21-V25 HydrophobicContact CG1-CG2 4.38Å; V21-V25 WeakPolarHBondContact O-CG2 3.31Å; V21-V25 PolarHBondContact O-N 2.91Å
22K87.8Confident87.7Confident125 Ų125100.9 Ų100.954%0.54356%0.558SS.*Hα-helixtrans-58.6-44.3176-178.3-178177-175.80111.6Y18 L19 V20 V25 G26Y18-K22 HydrophobicContact CE1-CD 4.33Å; Y18-K22 WeakPolarHBondContact O-CB 3.39Å; Y18-K22 PolarHBondContact O-N 2.92Å; L19-K22 PolarHBondContact O-N 3.41Å; V20-K22 PolarHBondContact O-N 2.94Å; K22-V25 PolarHBondContact O-N 3.2Å; K22-G26 PolarHBondContact O-N 3.4Å
23A85.8Confident87.6Confident64 Ų6498.6 Ų98.653%0.52955%0.551SS.*Hα-helixtrans-63.5-42.7176.200000111.7L19 V20 V21 G26 L27L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 2.94Å; V20-A23 PolarHBondContact O-N 3.25Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.34Å; A23-G26 PolarHBondContact O-N 2.87Å; A23-L27 PolarHBondContact O-N 2.89Å
24A86.9Confident87.7Confident52 Ų5297.7 Ų97.743%0.4354%0.539SS..Hα-helixtrans-63.5-42.4177.400000112.5V20 V21 G26 L27V20-A24 WeakPolarHBondContact O-CB 3.45Å; V20-A24 PolarHBondContact O-N 3.5Å; V21-A24 PolarHBondContact O-N 2.9Å; A24-G26 VanDerWaalsContact C-N 3.29Å; A24-G26 PolarHBondContact O-N 3.45Å; A24-L27 WeakPolarHBondContact O-CB 3.32Å; A24-L27 PolarHBondContact O-N 3.29Å; A24-L27 VanDerWaalsContact O-N 3.13Å
25V87.4Confident87.8Confident74 Ų7497.4 Ų97.445%0.44854%0.538SS..Hα-helixtrans-61.9-39.3173.9170.30000111.1V21 K22 L27 V28 L29V21-V25 HydrophobicContact CG1-CG2 4.38Å; V21-V25 WeakPolarHBondContact O-CG2 3.31Å; V21-V25 PolarHBondContact O-N 2.91Å; K22-V25 PolarHBondContact O-N 3.2Å; V25-L27 PolarHBondContact O-N 2.94Å; V25-V28 PolarHBondContact O-N 3.41Å; V25-L29 HydrophobicContact CG1-CD1 3.59Å; V25-L29 HydrophobicContact CG1-CG 4.17Å; V25-L29 PolarHBondContact O-N 3.24Å
26G79.6Confident88Confident44 Ų4492.5 Ų92.545%0.45452%0.516SS..Hα-helixtrans-64.9-14.2175.400000115.1K22 A23 A24 V28K22-G26 PolarHBondContact O-N 3.4Å; A23-G26 PolarHBondContact O-N 2.87Å; A24-G26 VanDerWaalsContact C-N 3.29Å; A24-G26 PolarHBondContact O-N 3.45Å; G26-V28 VanDerWaalsContact C-N 3.33Å
27L79.3Confident88.2Confident154 Ų15491.2 Ų91.281%0.80652%0.515SS*.THydrogen-bonded Turntrans-76.4-23170.9-63.2172.7000112.5A23 A24 V25A23-L27 PolarHBondContact O-N 2.89Å; A24-L27 WeakPolarHBondContact O-CB 3.32Å; A24-L27 PolarHBondContact O-N 3.29Å; A24-L27 VanDerWaalsContact O-N 3.13Å; V25-L27 PolarHBondContact O-N 2.94Å
28V82.5Confident88.3Confident125 Ų12595.8 Ų95.876%0.75853%0.525SS*.THydrogen-bonded Turntrans-103.8-37.2-174.8-173.90000111.4V25 G26V25-V28 PolarHBondContact O-N 3.41Å; G26-V28 VanDerWaalsContact C-N 3.33Å
29L82.3Confident88.6Confident107 Ų10789.5 Ų89.556%0.5650%0.501SS*.SBendtrans-93.4139.7-179.4-64.9179.5000111.7V25 A31V25-L29 HydrophobicContact CG1-CD1 3.59Å; V25-L29 HydrophobicContact CG1-CG 4.17Å; V25-L29 PolarHBondContact O-N 3.24Å; L29-A31 PolarHBondContact O-N 2.92Å
30P76.2Confident89Confident129 Ų12986.4 Ų86.484%0.83849%0.485SS*.PPolyproline II helixtrans-65121.1177.226.4-32.5000110.3
31A80.9Confident89.3Confident59 Ų5982 Ų8249%0.48846%0.458SS..PPolyproline II helixtrans-75.1144.517400000110.8L29 L33 L256L29-A31 PolarHBondContact O-N 2.92Å; A31-L33 PolarHBondContact O-N 2.83Å; A31-L256 HydrophobicContact CB-CD2 3.46Å; A31-L256 VanDerWaalsContact CB-CD2 3.46Å
32K86.2Confident89.6Confident204 Ų20478 Ų7889%0.88743%0.434SS*.PPolyproline II helixtrans-70.3116.5173.3-173.8-179.2-179.8-178.80109.2
33L90.9Very high90.1Very high75 Ų7572 Ų7239%0.39341%0.408SS..PPolyproline II helixtrans-73.6139.1175.5-61.6179.1000110.7A31 Q255 L256A31-L33 PolarHBondContact O-N 2.83Å; L33-Q255 HydrophobicContact CB-CB 4.05Å; L33-Q255 HydrophobicContact CD2-CB 3.87Å; L33-Q255 HydrophobicContact CG-CB 4.46Å; L33-L256 HydrophobicContact CD2-CD2 3.56Å; L33-L256 HydrophobicContact CD2-CG 3.75Å
34R94.1Very high90.8Very high45 Ų4569.1 Ų69.117%0.1738%0.383CS..PPolyproline II helixtrans-61.8132.5167.1178.6-175.5176.4161.14.3109.5E39 N167 Q255R34-E39 IonicContact CZ-OE1 3.16Å; R34-E39 IonicContact NE-OE1 2.73Å; R34-E39 PolarHBondContact NE-OE1 3.39Å; R34-E39 VanDerWaalsContact NE-OE1 3.16Å; R34-E39 IonicContact NH2-OE1 3.21Å; R34-E39 PolarHBondContact NH2-OE1 2.92Å; R34-E39 IonicContact NH2-OE2 3.35Å; R34-E39 PolarHBondContact NH2-OE2 3.29Å; R34-N167 PolarHBondContact NH2-OD1 3.39Å; R34-Q255 WeakPolarHBondContact CB-O 3.29Å; R34-Q255 PolarHBondContact N-O 3.21Å; R34-Q255 PolarHBondContact O-NE2 3.44Å
35D95.8Very high91.3Very high103 Ų10367.7 Ų67.755%0.55137%0.374SS*.PPolyproline II helixtrans-73133.1171.9178.420.7000110.1S37D35-S37 VanDerWaalsContact CG-OG 3.27Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.39Å; D35-S37 PolarHBondContact OD1-N 2.92Å; D35-S37 PolarHBondContact OD1-OG 3.08Å; D35-S37 PolarHBondContact OD2-OG 3.09Å
36L97.5Very high91.8Very high1 Ų164.2 Ų64.21%0.00535%0.352CS..  trans-100-3.3-179-54.8-175.2000113R38 E39 F58 R61 A63 I119 V251 Q255L36-R38 PolarHBondContact O-N 3.27Å; L36-E39 HydrophobicContact CB-CG 4.33Å; L36-E39 HydrophobicContact CD2-CG 4.1Å; L36-E39 WeakPolarHBondContact O-CB 3.49Å; L36-E39 PolarHBondContact O-N 3.5Å; L36-F58 HydrophobicContact CD1-CD1 3.87Å; L36-F58 HydrophobicContact CD1-CE1 4.12Å; L36-R61 HydrophobicContact CD1-CB 3.77Å; L36-A63 WeakPolarHBondContact O-CA 3.49Å; L36-I119 HydrophobicContact CD2-CD1 4.14Å; L36-V251 HydrophobicContact CD1-CG1 3.77Å; L36-Q255 HydrophobicContact CD1-CG 3.97Å; L36-Q255 HydrophobicContact CD2-CG 4.11Å; L36-Q255 HydrophobicContact CG-CG 4.07Å
37S97.3Very high92.5Very high54 Ų5462.5 Ų62.538%0.37834%0.335SS..THydrogen-bonded Turntrans-55.9-18.8-175.3730000115.9D35 G62 R64D35-S37 VanDerWaalsContact CG-OG 3.27Å; D35-S37 VanDerWaalsContact OD1-CB 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.39Å; D35-S37 PolarHBondContact OD1-N 2.92Å; D35-S37 PolarHBondContact OD1-OG 3.08Å; D35-S37 PolarHBondContact OD2-OG 3.09Å; S37-G62 WeakPolarHBondContact CA-O 3.37Å; S37-R64 WeakPolarHBondContact O-CB 3.17Å
38R96.8Very high93.2Very high201 Ų20158.7 Ų58.776%0.75831%0.31SS*.THydrogen-bonded Turntrans-109.8-0.5-179.6-59.9-176.5-178.5-171-1113.4L36L36-R38 PolarHBondContact O-N 3.27Å
39E98.3Very high93.8Very high11 Ų1154.4 Ų54.45%0.05129%0.291CS..  trans-91.2131-168.8-53.8-63.1166.600111.9R34 L36 V41 R64 K65 T118 I119R34-E39 IonicContact CZ-OE1 3.16Å; R34-E39 IonicContact NE-OE1 2.73Å; R34-E39 PolarHBondContact NE-OE1 3.39Å; R34-E39 VanDerWaalsContact NE-OE1 3.16Å; R34-E39 IonicContact NH2-OE1 3.21Å; R34-E39 PolarHBondContact NH2-OE1 2.92Å; R34-E39 IonicContact NH2-OE2 3.35Å; R34-E39 PolarHBondContact NH2-OE2 3.29Å; L36-E39 HydrophobicContact CB-CG 4.33Å; L36-E39 HydrophobicContact CD2-CG 4.1Å; L36-E39 WeakPolarHBondContact O-CB 3.49Å; L36-E39 PolarHBondContact O-N 3.5Å; E39-V41 HydrophobicContact CB-CG2 4.48Å; E39-R64 WeakPolarHBondContact O-CB 3.29Å; E39-R64 PolarHBondContact O-N 2.79Å; E39-K65 PolarHBondContact O-N 2.73Å; E39-T118 VanDerWaalsContact CA-OG1 3.31Å; E39-T118 WeakPolarHBondContact CA-OG1 3.49Å; E39-T118 WeakPolarHBondContact OE2-CB 3.19Å; E39-T118 PolarHBondContact OE2-OG1 3.43Å; E39-I119 HydrophobicContact CB-CD1 3.83Å; E39-I119 HydrophobicContact CB-CG1 4.25Å; E39-I119 HydrophobicContact CG-CD1 3.97Å
40N98.8Very high94.6Very high11 Ų1150.6 Ų50.66%0.05927%0.271CS..EExtended strand (participates in β ladder)trans-98.3112.7170-63.5-24.7000108.1K65 D116 I117 T118 I119N40-K65 HydrophobicContact CB-CB 4.46Å; N40-K65 WeakPolarHBondContact OD1-CB 3.37Å; N40-K65 WeakPolarHBondContact OD1-CG 3.47Å; N40-D116 WeakPolarHBondContact CB-O 3.29Å; N40-D116 PolarHBondContact ND2-O 2.95Å; N40-I117 HydrophobicContact CB-CD1 4.28Å; N40-T118 PolarHBondContact N-OG1 3.47Å; N40-T118 PolarHBondContact O-N 3.25Å; N40-T118 PolarHBondContact O-OG1 2.93Å; N40-I119 PolarHBondContact O-N 3.43Å; N40-I119 VanDerWaalsContact O-N 3.15Å
41V98.9Very high95.6Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-103.3123.5-171.6-171.30000110.4E39 I43 F58 A63 K65 I66 V67 I119 V121E39-V41 HydrophobicContact CB-CG2 4.48Å; V41-I43 HydrophobicContact CG1-CD1 4.28Å; V41-I43 HydrophobicContact CG1-CG1 3.93Å; V41-F58 HydrophobicContact CG1-CD1 4.25Å; V41-F58 HydrophobicContact CG1-CD2 3.81Å; V41-F58 HydrophobicContact CG1-CE1 4.32Å; V41-F58 HydrophobicContact CG1-CE2 3.9Å; V41-F58 HydrophobicContact CG1-CG 4.01Å; V41-F58 HydrophobicContact CG1-CZ 4.15Å; V41-F58 HydrophobicContact CG2-CB 4.49Å; V41-F58 HydrophobicContact CG2-CD1 3.88Å; V41-F58 HydrophobicContact CG2-CE1 4.28Å; V41-F58 HydrophobicContact CG2-CG 4.16Å; V41-A63 HydrophobicContact CG2-CB 3.86Å; V41-K65 PolarHBondContact N-O 2.75Å; V41-I66 CarbonylContact O-C 3.56Å; V41-I66 WeakPolarHBondContact O-CA 3.32Å; V41-V67 PolarHBondContact O-N 3.19Å; V41-I119 CarbonylContact C-O 3.33Å; V41-I119 WeakPolarHBondContact CA-O 3.5Å; V41-I119 HydrophobicContact CB-CB 4.42Å; V41-I119 HydrophobicContact CG1-CB 4.17Å; V41-I119 HydrophobicContact CG1-CG2 4.06Å; V41-I119 HydrophobicContact CG2-CB 4.14Å; V41-I119 HydrophobicContact CG2-CD1 4.18Å; V41-V121 HydrophobicContact CG1-CG2 4.01Å
42L98.9Very high96.5Very high0 Ų045.7 Ų45.70%022%0.223CC..EExtended strand (participates in β ladder)trans-104.2129.4170.8-169.8152.5000110.3T44 V67 W69 V110 I117 I119 L120 V121 F158L42-T44 HydrophobicContact CD2-CG2 3.88Å; L42-V67 CarbonylContact C-O 3.2Å; L42-V67 WeakPolarHBondContact CA-O 3.37Å; L42-V67 HydrophobicContact CB-CB 4.29Å; L42-V67 HydrophobicContact CD1-CB 4.41Å; L42-V67 HydrophobicContact CD1-CG1 4.09Å; L42-V67 HydrophobicContact CG-CB 4.15Å; L42-V67 HydrophobicContact CG-CG1 4.15Å; L42-W69 HydrophobicContact CD1-CD2 4.35Å; L42-W69 HydrophobicContact CD1-CZ2 3.9Å; L42-W69 HydrophobicContact CD2-CD2 4.08Å; L42-W69 HydrophobicContact CD2-CE3 4.49Å; L42-W69 HydrophobicContact CD2-CG 4.19Å; L42-V110 HydrophobicContact CD1-CG1 4.29Å; L42-V110 HydrophobicContact CD1-CG2 4.41Å; L42-I117 HydrophobicContact CB-CD1 4.15Å; L42-I117 HydrophobicContact CB-CG1 4.22Å; L42-I117 HydrophobicContact CB-CG2 3.7Å; L42-I117 HydrophobicContact CD1-CD1 4.36Å; L42-I117 HydrophobicContact CD1-CG1 4.08Å; L42-I119 PolarHBondContact N-O 2.94Å; L42-L120 HydrophobicContact CB-CD1 4.37Å; L42-L120 HydrophobicContact CD2-CD1 3.58Å; L42-L120 HydrophobicContact CG-CD1 4.46Å; L42-V121 WeakPolarHBondContact O-CB 3.45Å; L42-V121 PolarHBondContact O-N 3.09Å; L42-F158 HydrophobicContact CD1-CE1 4.1Å; L42-F158 HydrophobicContact CD1-CE2 3.83Å; L42-F158 HydrophobicContact CD1-CZ 3.47Å; L42-F158 VanDerWaalsContact CD1-CZ 3.47Å
43I98.9Very high97.1Very high0 Ų037.5 Ų37.50%019%0.188CC..EExtended strand (participates in β ladder)trans-123.9114.4-179.2-52.5171.1000109.7V41 L54 A55 F58 I66 V67 L68 W69 V121 N123V41-I43 HydrophobicContact CG1-CD1 4.28Å; V41-I43 HydrophobicContact CG1-CG1 3.93Å; I43-L54 HydrophobicContact CD1-CB 4.05Å; I43-A55 VanDerWaalsContact CD1-CA 3.47Å; I43-A55 HydrophobicContact CD1-CB 3.82Å; I43-F58 HydrophobicContact CD1-CD2 4.08Å; I43-I66 HydrophobicContact CD1-CG2 4.47Å; I43-V67 PolarHBondContact N-O 3.48Å; I43-L68 HydrophobicContact CB-CD2 4.19Å; I43-L68 HydrophobicContact CD1-CD2 4.31Å; I43-W69 PolarHBondContact O-N 3.42Å; I43-V121 HydrophobicContact CB-CB 4.39Å; I43-V121 HydrophobicContact CG1-CB 4.06Å; I43-V121 HydrophobicContact CG1-CG2 4.12Å; I43-V121 HydrophobicContact CG2-CB 4.34Å; I43-V121 HydrophobicContact CG2-CG1 4.39Å; I43-N123 HydrophobicContact CG2-CB 4.49Å
44T98.8Very high97.4Very high3 Ų334 Ų342%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-78.1140171.969.90000110.6L42 G46 W69 V97 V121 N123 A124 T154L42-T44 HydrophobicContact CD2-CG2 3.88Å; T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 2.95Å; T44-W69 HydrophobicContact CG2-CB 4.42Å; T44-W69 HydrophobicContact CG2-CE3 4.24Å; T44-V97 HydrophobicContact CG2-CG1 3.97Å; T44-V121 PolarHBondContact N-O 3.36Å; T44-V121 PolarHBondContact OG1-O 3.2Å; T44-N123 CarbonylContact O-C 3.42Å; T44-N123 VanDerWaalsContact O-CB 3.26Å; T44-N123 WeakPolarHBondContact O-CB 3.44Å; T44-N123 PolarHBondContact O-ND2 3.46Å; T44-N123 PolarHBondContact OG1-N 3Å; T44-A124 PolarHBondContact O-N 3.24Å; T44-A124 VanDerWaalsContact O-N 3.15Å; T44-A124 PolarHBondContact OG1-N 3.3Å; T44-T154 HydrophobicContact CG2-CG2 4.26Å
45G97.7Very high97.7Very high22 Ų2231.8 Ų31.823%0.22716%0.161CC..THydrogen-bonded Turntrans67.327.7-171.700000113.1G47 W69 N123G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.43Å; G45-W69 WeakPolarHBondContact CA-O 3.29Å; G45-W69 PolarHBondContact N-O 3.17Å; G45-N123 PolarHBondContact O-ND2 3.3Å
46G97.3Very high97.8Very high0 Ų030.5 Ų30.50%015%0.149CC..THydrogen-bonded Turntrans-71-9.8-171.600000115.9T44 R48 R52 W69T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 2.95Å; G46-R48 PolarHBondContact O-N 3.33Å; G46-R52 WeakPolarHBondContact O-CA 3.26Å; G46-R52 PolarHBondContact O-N 3.21Å; G46-W69 PolarHBondContact N-O 3.27Å; G46-W69 VanDerWaalsContact N-O 3.12Å
47G95.9Very high97.9Very high9 Ų931.4 Ų31.49%0.09315%0.153CC..THydrogen-bonded Turntrans-81.4-8.5-173.400000116.2G45 C75 T79G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.43Å; G47-C75 WeakPolarHBondContact O-CB 3.28Å; G47-T79 WeakPolarHBondContact CA-OG1 3.19Å; G47-T79 PolarHBondContact O-OG1 3.23Å; G47-T79 VanDerWaalsContact O-OG1 3.12Å
48R94Very high97.9Very high74 Ų7428.9 Ų28.928%0.27914%0.135SC..SBendtrans-161.9173.8-179.265.3176.172.2-158.12.5113G46 G51 R52 C75 E225G46-R48 PolarHBondContact O-N 3.33Å; R48-G51 PolarHBondContact O-N 3.16Å; R48-R52 PolarHBondContact O-N 2.9Å; R48-C75 PolarHBondContact NH2-SG 3.43Å; R48-E225 IonicContact CZ-OE2 3.92Å; R48-E225 IonicContact NH1-OE2 2.84Å; R48-E225 PolarHBondContact NH1-OE2 3.46Å
49G95.4Very high98Very high34 Ų3419.7 Ų19.735%0.35110%0.102SC..Hα-helixtrans55.2-136.6173.300000112.4G51 R52 Q53G49-G51 VanDerWaalsContact C-N 3.3Å; G49-G51 PolarHBondContact O-N 2.78Å; G49-R52 PolarHBondContact O-N 2.94Å; G49-Q53 PolarHBondContact O-N 3.17Å
50I97.6Very high98Very high28 Ų2824.7 Ų24.714%0.14413%0.125CC..Hα-helixtrans-60.9-39.3178.9-60.6168.1000111.2R52 Q53 L54 L173 T222 T224 P243 V246I50-R52 PolarHBondContact O-N 3.22Å; I50-Q53 PolarHBondContact O-N 3.01Å; I50-Q53 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 3.73Å; I50-L54 HydrophobicContact CG2-CG 4.05Å; I50-L54 WeakPolarHBondContact O-CB 3.33Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.45Å; I50-L173 HydrophobicContact CG2-CD1 4.12Å; I50-L173 HydrophobicContact CG2-CG 4.46Å; I50-T222 HydrophobicContact CD1-CG2 3.99Å; I50-T222 HydrophobicContact CG1-CG2 4.13Å; I50-T224 HydrophobicContact CG1-CG2 4.18Å; I50-P243 HydrophobicContact CG1-CB 4.25Å; I50-V246 HydrophobicContact CD1-CG1 4.31Å; I50-V246 HydrophobicContact CG2-CG1 4.04Å
51G98.3Very high98Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-60.3-41.6-179.800000113.5R48 G49 L54 A55 N123R48-G51 PolarHBondContact O-N 3.16Å; G49-G51 VanDerWaalsContact C-N 3.3Å; G49-G51 PolarHBondContact O-N 2.78Å; G51-L54 PolarHBondContact O-N 3.46Å; G51-A55 PolarHBondContact O-N 3.08Å; G51-A55 VanDerWaalsContact O-N 3.07Å; G51-N123 WeakPolarHBondContact CA-ND2 3.25Å
52R98.4Very high97.9Very high84 Ų8429.4 Ų29.432%0.31715%0.153SC..Hα-helixtrans-65.2-42.7174.2172.9169.5-180-164.8-2111.8G46 R48 G49 I50 L54 A55 R56 T79 E82G46-R52 WeakPolarHBondContact O-CA 3.26Å; G46-R52 PolarHBondContact O-N 3.21Å; R48-R52 PolarHBondContact O-N 2.9Å; G49-R52 PolarHBondContact O-N 2.94Å; I50-R52 PolarHBondContact O-N 3.22Å; R52-L54 VanDerWaalsContact C-N 3.34Å; R52-A55 WeakPolarHBondContact O-CB 3.31Å; R52-A55 PolarHBondContact O-N 3.46Å; R52-R56 PolarHBondContact O-N 2.54Å; R52-R56 VanDerWaalsContact O-N 3.08Å; R52-T79 HydrophobicContact CB-CG2 4.16Å; R52-T79 HydrophobicContact CG-CG2 3.75Å; R52-E82 IonicContact CZ-OE2 2.72Å; R52-E82 IonicContact NE-OE2 3.7Å; R52-E82 PolarHBondContact NE-OE2 2.71Å; R52-E82 VanDerWaalsContact NH2-CD 3.29Å; R52-E82 IonicContact NH2-OE1 3.12Å; R52-E82 PolarHBondContact NH2-OE1 3.47Å; R52-E82 IonicContact NH2-OE2 3.77Å; R52-E82 PolarHBondContact NH2-OE2 3Å
53Q98.6Very high97.9Very high33 Ų3329.6 Ų29.615%0.15416%0.155CC..Hα-helixtrans-68.5-33.5177.5-63.8-56.8-9.800112.7G49 I50 R56 E57 P243 E244 A247G49-Q53 PolarHBondContact O-N 3.17Å; I50-Q53 PolarHBondContact O-N 3.01Å; I50-Q53 VanDerWaalsContact O-N 3.16Å; Q53-R56 PolarHBondContact O-N 3.37Å; Q53-E57 WeakPolarHBondContact O-CB 3.39Å; Q53-E57 PolarHBondContact O-N 2.95Å; Q53-P243 HydrophobicContact CG-CB 3.92Å; Q53-E244 HydrophobicContact CG-CG 4.15Å; Q53-E244 PolarHBondContact NE2-OE1 2.96Å; Q53-A247 VanDerWaalsContact C-CB 3.41Å; Q53-A247 HydrophobicContact CB-CB 3.59Å; Q53-A247 WeakPolarHBondContact O-CB 3.08Å
54L98.8Very high97.8Very high0 Ų036.4 Ų36.40%018%0.181CC..Hα-helixtrans-61.6-45.5171.6-75.3163.2000110.8I43 I50 G51 R52 R56 E57 F58 V121 N123 L173 A247 T250 V251I43-L54 HydrophobicContact CD1-CB 4.05Å; I50-L54 HydrophobicContact CG2-CD1 3.73Å; I50-L54 HydrophobicContact CG2-CG 4.05Å; I50-L54 WeakPolarHBondContact O-CB 3.33Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.45Å; G51-L54 PolarHBondContact O-N 3.46Å; R52-L54 VanDerWaalsContact C-N 3.34Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 2.94Å; L54-E57 PolarHBondContact O-N 3.35Å; L54-F58 HydrophobicContact CD2-CE2 4.43Å; L54-F58 WeakPolarHBondContact O-CB 3.3Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 PolarHBondContact O-N 2.91Å; L54-V121 HydrophobicContact CD1-CG1 3.98Å; L54-N123 HydrophobicContact CD1-CB 4.33Å; L54-L173 HydrophobicContact CD1-CD1 4.25Å; L54-L173 HydrophobicContact CD1-CD2 3.8Å; L54-L173 HydrophobicContact CD1-CG 3.87Å; L54-A247 HydrophobicContact CD2-CB 4.1Å; L54-A247 HydrophobicContact CG-CB 4.11Å; L54-T250 HydrophobicContact CD2-CG2 3.59Å; L54-V251 HydrophobicContact CD2-CG2 4.36Å
55A98.8Very high97.8Very high0 Ų037.5 Ų37.50%019%0.185CC..Hα-helixtrans-57.8-46.5176.600000111.4I43 G51 R52 F58 A59 I66 L68 T79 I83I43-A55 VanDerWaalsContact CD1-CA 3.47Å; I43-A55 HydrophobicContact CD1-CB 3.82Å; G51-A55 PolarHBondContact O-N 3.08Å; G51-A55 VanDerWaalsContact O-N 3.07Å; R52-A55 WeakPolarHBondContact O-CB 3.31Å; R52-A55 PolarHBondContact O-N 3.46Å; A55-F58 PolarHBondContact O-N 2.89Å; A55-A59 WeakPolarHBondContact O-CB 3.48Å; A55-A59 PolarHBondContact O-N 3.46Å; A55-I66 HydrophobicContact CB-CG2 4.23Å; A55-I66 WeakPolarHBondContact O-CD1 3Å; A55-L68 HydrophobicContact CB-CD2 3.71Å; A55-T79 HydrophobicContact CB-CG2 4.35Å; A55-I83 VanDerWaalsContact C-CD1 3.49Å; A55-I83 HydrophobicContact CB-CD1 3.95Å; A55-I83 HydrophobicContact CB-CG1 4.09Å
56R98.8Very high97.9Very high76 Ų7636.4 Ų36.429%0.28717%0.174SC..Hα-helixtrans-60.4-50.3176.8-71.3177.660.6150.2-3.6112R52 Q53 L54 F58 A59 E60 E82 I83 M86R52-R56 PolarHBondContact O-N 2.54Å; R52-R56 VanDerWaalsContact O-N 3.08Å; Q53-R56 PolarHBondContact O-N 3.37Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 2.94Å; R56-F58 PolarHBondContact O-N 3.43Å; R56-A59 WeakPolarHBondContact O-CB 3.44Å; R56-A59 PolarHBondContact O-N 3.43Å; R56-A59 VanDerWaalsContact O-N 3.15Å; R56-E60 WeakPolarHBondContact O-CG 3.47Å; R56-E60 PolarHBondContact O-N 3.35Å; R56-E82 VanDerWaalsContact CD-OE1 3.32Å; R56-E82 WeakPolarHBondContact CD-OE1 3.34Å; R56-E82 IonicContact CZ-OE1 2.96Å; R56-E82 IonicContact NE-OE1 2.72Å; R56-E82 IonicContact NH1-OE1 3.32Å; R56-E82 PolarHBondContact NH1-OE1 2.87Å; R56-I83 HydrophobicContact CB-CD1 4.26Å; R56-I83 HydrophobicContact CG-CD1 3.75Å; R56-M86 HydrophobicContact CB-CE 4.41Å; R56-M86 HydrophobicContact CG-SD 4.27Å
57E98.8Very high98Very high20 Ų2036.4 Ų36.49%0.09317%0.174CC..Hα-helixtrans-63.2-41.3-179.3-177.476.8-157.500111.7Q53 L54 A59 E60 R61 A247 R248 V251Q53-E57 WeakPolarHBondContact O-CB 3.39Å; Q53-E57 PolarHBondContact O-N 2.95Å; L54-E57 PolarHBondContact O-N 3.35Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 2.9Å; E57-E60 PolarHBondContact O-N 3.46Å; E57-R61 HydrophobicContact CG-CG 4.3Å; E57-R61 WeakPolarHBondContact O-CB 3.17Å; E57-R61 WeakPolarHBondContact O-CG 3.41Å; E57-R61 PolarHBondContact O-N 3.38Å; E57-R61 IonicContact OE1-CZ 2.91Å; E57-R61 VanDerWaalsContact OE1-CZ 3.27Å; E57-R61 IonicContact OE1-NE 2.87Å; E57-R61 PolarHBondContact OE1-NE 3.01Å; E57-R61 IonicContact OE1-NH2 3.27Å; E57-R61 PolarHBondContact OE1-NH2 2.9Å; E57-A247 HydrophobicContact CB-CB 4.36Å; E57-R248 WeakPolarHBondContact OE2-CA 3.25Å; E57-R248 WeakPolarHBondContact OE2-CB 3.36Å; E57-V251 HydrophobicContact CB-CG2 3.85Å; E57-V251 HydrophobicContact CG-CB 3.63Å; E57-V251 HydrophobicContact CG-CG1 4.21Å; E57-V251 HydrophobicContact CG-CG2 3.44Å; E57-V251 VanDerWaalsContact CG-CG2 3.44Å
58F98.8Very high98.1Very high0 Ų036 Ų360%017%0.17CC..Hα-helixtrans-61.7-39.6174.5-84.8-67.6000111.9L36 V41 I43 L54 A55 R56 R61 G62 A63 I66 I119 V121 V251 V254L36-F58 HydrophobicContact CD1-CD1 3.87Å; L36-F58 HydrophobicContact CD1-CE1 4.12Å; V41-F58 HydrophobicContact CG1-CD1 4.25Å; V41-F58 HydrophobicContact CG1-CD2 3.81Å; V41-F58 HydrophobicContact CG1-CE1 4.32Å; V41-F58 HydrophobicContact CG1-CE2 3.9Å; V41-F58 HydrophobicContact CG1-CG 4.01Å; V41-F58 HydrophobicContact CG1-CZ 4.15Å; V41-F58 HydrophobicContact CG2-CB 4.49Å; V41-F58 HydrophobicContact CG2-CD1 3.88Å; V41-F58 HydrophobicContact CG2-CE1 4.28Å; V41-F58 HydrophobicContact CG2-CG 4.16Å; I43-F58 HydrophobicContact CD1-CD2 4.08Å; L54-F58 HydrophobicContact CD2-CE2 4.43Å; L54-F58 WeakPolarHBondContact O-CB 3.3Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 PolarHBondContact O-N 2.91Å; A55-F58 PolarHBondContact O-N 2.89Å; R56-F58 PolarHBondContact O-N 3.43Å; F58-R61 PolarHBondContact O-N 2.84Å; F58-G62 PolarHBondContact O-N 3.08Å; F58-A63 HydrophobicContact CB-CB 4.08Å; F58-A63 WeakPolarHBondContact O-CB 3.4Å; F58-A63 PolarHBondContact O-N 3.14Å; F58-I66 HydrophobicContact CB-CD1 4.18Å; F58-I119 HydrophobicContact CE1-CD1 4.17Å; F58-I119 HydrophobicContact CE1-CG2 4.47Å; F58-I119 HydrophobicContact CZ-CG2 4.19Å; F58-V121 HydrophobicContact CE2-CG2 3.86Å; F58-V121 HydrophobicContact CZ-CG2 4.2Å; F58-V251 HydrophobicContact CD1-CG1 3.86Å; F58-V251 HydrophobicContact CD1-CG2 4.06Å; F58-V251 HydrophobicContact CD2-CG2 3.75Å; F58-V251 HydrophobicContact CE1-CB 4.41Å; F58-V251 HydrophobicContact CE1-CG1 3.83Å; F58-V251 HydrophobicContact CE1-CG2 4Å; F58-V251 HydrophobicContact CE2-CG2 3.67Å; F58-V251 HydrophobicContact CG-CG1 4.45Å; F58-V251 HydrophobicContact CG-CG2 3.94Å; F58-V251 HydrophobicContact CZ-CG1 4.39Å; F58-V251 HydrophobicContact CZ-CG2 3.81Å; F58-V254 HydrophobicContact CE1-CG1 4.36Å; F58-V254 HydrophobicContact CZ-CG2 4.39Å
59A98.6Very high98.3Very high8 Ų832.5 Ų32.57%0.06616%0.157CC..Hα-helixtrans-64.6-46.9175.300000111.8A55 R56 E57 R61 G62 I66 I83 M86 T88A55-A59 WeakPolarHBondContact O-CB 3.48Å; A55-A59 PolarHBondContact O-N 3.46Å; R56-A59 WeakPolarHBondContact O-CB 3.44Å; R56-A59 PolarHBondContact O-N 3.43Å; R56-A59 VanDerWaalsContact O-N 3.15Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 2.9Å; A59-R61 PolarHBondContact O-N 3.15Å; A59-G62 PolarHBondContact O-N 3.37Å; A59-I66 HydrophobicContact CB-CD1 3.72Å; A59-I83 HydrophobicContact CB-CD1 4.21Å; A59-I83 HydrophobicContact CB-CG2 4.04Å; A59-M86 HydrophobicContact CB-CE 3.91Å; A59-M86 HydrophobicContact CB-SD 4.42Å; A59-T88 HydrophobicContact CB-CG2 4.33Å; A59-T88 WeakPolarHBondContact CB-OG1 3.24Å
60E98.2Very high98.5Very high117 Ų11731.5 Ų31.555%0.54715%0.146SC..Hα-helixtrans-59.9-32.5176.5-71.2174.7-170.200112.1R56 E57 G62 M86R56-E60 WeakPolarHBondContact O-CG 3.47Å; R56-E60 PolarHBondContact O-N 3.35Å; E57-E60 PolarHBondContact O-N 3.46Å; E60-G62 PolarHBondContact O-N 2.85Å; E60-M86 HydrophobicContact CG-CE 3.36Å
61R97.7Very high98.4Very high73 Ų7335.8 Ų35.828%0.27516%0.16SC..THydrogen-bonded Turntrans-83.23.7177.3-62.2-90.6-176.3171-6.2113.4L36 E57 F58 A59 V251L36-R61 HydrophobicContact CD1-CB 3.77Å; E57-R61 HydrophobicContact CG-CG 4.3Å; E57-R61 WeakPolarHBondContact O-CB 3.17Å; E57-R61 WeakPolarHBondContact O-CG 3.41Å; E57-R61 PolarHBondContact O-N 3.38Å; E57-R61 IonicContact OE1-CZ 2.91Å; E57-R61 VanDerWaalsContact OE1-CZ 3.27Å; E57-R61 IonicContact OE1-NE 2.87Å; E57-R61 PolarHBondContact OE1-NE 3.01Å; E57-R61 IonicContact OE1-NH2 3.27Å; E57-R61 PolarHBondContact OE1-NH2 2.9Å; F58-R61 PolarHBondContact O-N 2.84Å; A59-R61 PolarHBondContact O-N 3.15Å; R61-V251 HydrophobicContact CB-CG1 4.28Å; R61-V251 HydrophobicContact CG-CG1 3.83Å
62G97.4Very high98.4Very high36 Ų3638.6 Ų38.637%0.37118%0.178SC..THydrogen-bonded Turntrans83.324.1173.400000114.9S37 F58 A59 E60 R64S37-G62 WeakPolarHBondContact CA-O 3.37Å; F58-G62 PolarHBondContact O-N 3.08Å; A59-G62 PolarHBondContact O-N 3.37Å; E60-G62 PolarHBondContact O-N 2.85Å; G62-R64 PolarHBondContact O-N 2.86Å
63A98.5Very high98.3Very high4 Ų438 Ų383%0.03318%0.179CC..  trans-53.1136.917300000111.3L36 V41 F58 I66 T88L36-A63 WeakPolarHBondContact O-CA 3.49Å; V41-A63 HydrophobicContact CG2-CB 3.86Å; F58-A63 HydrophobicContact CB-CB 4.08Å; F58-A63 WeakPolarHBondContact O-CB 3.4Å; F58-A63 PolarHBondContact O-N 3.14Å; A63-I66 HydrophobicContact CB-CG1 4.45Å; A63-T88 WeakPolarHBondContact O-CG2 3.44Å
64R98.3Very high98.3Very high143 Ų14343.4 Ų43.454%0.5420%0.202SC..SBendtrans-63-48.9-175.9-169.5-171.3172.4-167.2-0.7112.1S37 E39 G62S37-R64 WeakPolarHBondContact O-CB 3.17Å; E39-R64 WeakPolarHBondContact O-CB 3.29Å; E39-R64 PolarHBondContact O-N 2.79Å; G62-R64 PolarHBondContact O-N 2.86Å
65K98.6Very high98.2Very high26 Ų2644.1 Ų44.111%0.11321%0.207CC..EExtended strand (participates in β ladder)trans-142.3146.3-178.3-55-169.7179.6-150.10110.5E39 N40 V41 E89 V114E39-K65 PolarHBondContact O-N 2.73Å; N40-K65 HydrophobicContact CB-CB 4.46Å; N40-K65 WeakPolarHBondContact OD1-CB 3.37Å; N40-K65 WeakPolarHBondContact OD1-CG 3.47Å; V41-K65 PolarHBondContact N-O 2.75Å; K65-E89 CarbonylContact C-O 3.6Å; K65-E89 VanDerWaalsContact CA-O 3.29Å; K65-E89 WeakPolarHBondContact CA-O 3.5Å; K65-E89 WeakPolarHBondContact CD-OE1 3.37Å; K65-E89 VanDerWaalsContact CE-CD 3.47Å; K65-E89 WeakPolarHBondContact CE-OE1 3.42Å; K65-E89 WeakPolarHBondContact CE-OE2 3.39Å; K65-E89 HydrophobicContact CG-CB 4.22Å; K65-E89 HydrophobicContact CG-CG 4.42Å; K65-E89 VanDerWaalsContact NZ-CD 3.34Å; K65-E89 IonicContact NZ-OE1 3.29Å; K65-E89 PolarHBondContact NZ-OE1 2.68Å; K65-E89 IonicContact NZ-OE2 3.54Å; K65-E89 PolarHBondContact NZ-OE2 3.07Å; K65-E89 VanDerWaalsContact NZ-OE2 3.14Å; K65-V114 HydrophobicContact CB-CG1 4.45Å; K65-V114 HydrophobicContact CD-CG1 3.74Å
66I98.9Very high98.2Very high0 Ų044.2 Ų44.20%021%0.207CC..EExtended strand (participates in β ladder)trans-120.7136174.2-66.5170.7000109.8V41 I43 A55 F58 A59 A63 L68 I83 T88 E89 C90 H91V41-I66 CarbonylContact O-C 3.56Å; V41-I66 WeakPolarHBondContact O-CA 3.32Å; I43-I66 HydrophobicContact CD1-CG2 4.47Å; A55-I66 HydrophobicContact CB-CG2 4.23Å; A55-I66 WeakPolarHBondContact O-CD1 3Å; F58-I66 HydrophobicContact CB-CD1 4.18Å; A59-I66 HydrophobicContact CB-CD1 3.72Å; A63-I66 HydrophobicContact CB-CG1 4.45Å; I66-L68 HydrophobicContact CG2-CD2 3.55Å; I66-L68 HydrophobicContact CG2-CG 4.1Å; I66-I83 HydrophobicContact CB-CG2 4.41Å; I66-I83 HydrophobicContact CD1-CG2 3.73Å; I66-T88 HydrophobicContact CD1-CG2 3.94Å; I66-T88 HydrophobicContact CG1-CG2 4.12Å; I66-E89 PolarHBondContact N-O 2.83Å; I66-C90 HydrophobicContact CB-CB 4.47Å; I66-C90 CarbonylContact O-C 3.57Å; I66-C90 VanDerWaalsContact O-CA 3.28Å; I66-C90 WeakPolarHBondContact O-CA 3.06Å; I66-H91 PolarHBondContact O-N 2.65Å
67V98.9Very high98.2Very high0 Ų045 Ų450%021%0.213CC..EExtended strand (participates in β ladder)trans-123.4119.4176.2-1770000108.9V41 L42 I43 H91 F93 V110 V114 I117V41-V67 PolarHBondContact O-N 3.19Å; L42-V67 CarbonylContact C-O 3.2Å; L42-V67 WeakPolarHBondContact CA-O 3.37Å; L42-V67 HydrophobicContact CB-CB 4.29Å; L42-V67 HydrophobicContact CD1-CB 4.41Å; L42-V67 HydrophobicContact CD1-CG1 4.09Å; L42-V67 HydrophobicContact CG-CB 4.15Å; L42-V67 HydrophobicContact CG-CG1 4.15Å; I43-V67 PolarHBondContact N-O 3.48Å; V67-H91 CarbonylContact C-O 3.39Å; V67-H91 WeakPolarHBondContact CA-O 3.34Å; V67-F93 HydrophobicContact CG1-CD2 3.66Å; V67-F93 HydrophobicContact CG1-CE2 3.78Å; V67-V110 HydrophobicContact CG1-CG1 4.42Å; V67-V110 HydrophobicContact CG1-CG2 4.02Å; V67-V114 HydrophobicContact CG2-CB 4.27Å; V67-V114 HydrophobicContact CG2-CG1 3.74Å; V67-V114 HydrophobicContact CG2-CG2 3.98Å; V67-I117 HydrophobicContact CG2-CD1 4.06Å
68L98.9Very high98.2Very high0 Ų048.5 Ų48.50%023%0.229CC..EExtended strand (participates in β ladder)trans-104.9127-178.9-52.8178.8000110.5I43 A55 I66 L76 T79 H91 Y92 F93I43-L68 HydrophobicContact CB-CD2 4.19Å; I43-L68 HydrophobicContact CD1-CD2 4.31Å; A55-L68 HydrophobicContact CB-CD2 3.71Å; I66-L68 HydrophobicContact CG2-CD2 3.55Å; I66-L68 HydrophobicContact CG2-CG 4.1Å; L68-L76 HydrophobicContact CB-CD2 3.81Å; L68-T79 HydrophobicContact CD1-CG2 3.53Å; L68-H91 PolarHBondContact N-O 3.29Å; L68-Y92 CarbonylContact O-C 3.54Å; L68-Y92 VanDerWaalsContact O-CA 3.24Å; L68-Y92 WeakPolarHBondContact O-CA 3.43Å; L68-F93 PolarHBondContact O-N 3.01Å
69W98.8Very high98.2Very high1 Ų148.5 Ų48.50%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-108.2145171.6-74.616.1000111L42 I43 T44 G45 G46 F93 C95 V97 V103 T106 A107 V110 T154 F158L42-W69 HydrophobicContact CD1-CD2 4.35Å; L42-W69 HydrophobicContact CD1-CZ2 3.9Å; L42-W69 HydrophobicContact CD2-CD2 4.08Å; L42-W69 HydrophobicContact CD2-CE3 4.49Å; L42-W69 HydrophobicContact CD2-CG 4.19Å; I43-W69 PolarHBondContact O-N 3.42Å; T44-W69 HydrophobicContact CG2-CB 4.42Å; T44-W69 HydrophobicContact CG2-CE3 4.24Å; G45-W69 WeakPolarHBondContact CA-O 3.29Å; G45-W69 PolarHBondContact N-O 3.17Å; G46-W69 PolarHBondContact N-O 3.27Å; G46-W69 VanDerWaalsContact N-O 3.12Å; W69-F93 WeakPolarHBondContact CA-O 3.32Å; W69-F93 AromaticContact NE1-CD2 3.97Å; W69-C95 HydrophobicContact CB-CB 4.37Å; W69-C95 HydrophobicContact CD2-CB 4.04Å; W69-C95 HydrophobicContact CE3-CB 3.91Å; W69-C95 VanDerWaalsContact CE3-SG 3.52Å; W69-C95 HydrophobicContact CG-CB 4.26Å; W69-V97 HydrophobicContact CE3-CG1 4.19Å; W69-V103 HydrophobicContact CH2-CG1 4.44Å; W69-V103 WeakPolarHBondContact CH2-O 3.32Å; W69-V103 HydrophobicContact CZ3-CB 4.45Å; W69-V103 HydrophobicContact CZ3-CG1 4.12Å; W69-V103 HydrophobicContact CZ3-CG2 4.34Å; W69-T106 HydrophobicContact CD2-CG2 4.24Å; W69-T106 HydrophobicContact CH2-CG2 4.12Å; W69-T106 HydrophobicContact CZ2-CG2 3.47Å; W69-T106 VanDerWaalsContact CZ2-CG2 3.47Å; W69-A107 HydrophobicContact CH2-CB 4.09Å; W69-A107 HydrophobicContact CZ2-CB 4.45Å; W69-V110 HydrophobicContact CZ2-CG2 3.86Å; W69-T154 HydrophobicContact CZ3-CG2 4.06Å; W69-F158 AromaticContact CH2-CE2 3.9Å; W69-F158 HydrophobicContact CH2-CE2 3.9Å; W69-F158 AromaticContact CH2-CZ 3.85Å; W69-F158 HydrophobicContact CH2-CZ 3.85Å; W69-F158 HydrophobicContact CZ2-CE2 4.19Å; W69-F158 AromaticContact CZ2-CZ 3.77Å; W69-F158 HydrophobicContact CZ2-CZ 3.77Å
70G98Very high98.2Very high12 Ų1248.2 Ų48.212%0.12423%0.226CC..EExtended strand (participates in β ladder)trans172.6-178.8173.100000112L76 F93 I94 C95G70-L76 WeakPolarHBondContact O-CD1 3.46Å; G70-F93 PolarHBondContact N-O 3.38Å; G70-I94 CarbonylContact O-C 3.36Å; G70-I94 VanDerWaalsContact O-CA 3.27Å; G70-I94 WeakPolarHBondContact O-CA 3.49Å; G70-C95 CarbonylContact C-O 3.46Å; G70-C95 PolarHBondContact O-N 3.27Å
71R96.8Very high98.2Very high118 Ų11847 Ų4745%0.44522%0.221SC..SBendtrans-100.2-28.2-173.7-57.1-177.7-55.4-177.4-1.2113.9E73 D96R71-E73 PolarHBondContact O-N 3.45Å; R71-D96 WeakPolarHBondContact CD-OD2 3.32Å; R71-D96 HydrophobicContact CG-CB 4.05Å; R71-D96 IonicContact CZ-OD2 3.82Å; R71-D96 IonicContact NE-OD2 3.89Å; R71-D96 IonicContact NH1-OD2 2.91Å; R71-D96 PolarHBondContact NH1-OD2 3.26Å
72T97.1Very high98.3Very high60 Ų6045 Ų4537%0.36821%0.214SC..  trans-93.796.5-176.2-48.80000109.4K74 C75 L76T72-K74 VanDerWaalsContact C-N 3.28Å; T72-K74 PolarHBondContact O-N 2.99Å; T72-C75 HydrophobicContact CG2-CB 4.39Å; T72-C75 PolarHBondContact O-N 3.14Å; T72-C75 VanDerWaalsContact O-N 3.16Å; T72-L76 PolarHBondContact O-N 3.4Å
73E97.9Very high98.3Very high72 Ų7243.2 Ų43.234%0.33620%0.196SC..Hα-helixtrans-54.8-42.1-175.2-162.4-165.9-164.900112.7R71 C75 L76 K77 Y92 I94R71-E73 PolarHBondContact O-N 3.45Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.07Å; E73-L76 WeakPolarHBondContact O-CB 3.09Å; E73-L76 PolarHBondContact O-N 2.97Å; E73-L76 VanDerWaalsContact O-N 3.11Å; E73-K77 HydrophobicContact CG-CD 4.22Å; E73-K77 HydrophobicContact CG-CG 4.34Å; E73-K77 PolarHBondContact O-N 3.17Å; E73-K77 WeakPolarHBondContact OE1-CE 3.31Å; E73-K77 IonicContact OE1-NZ 2.91Å; E73-K77 PolarHBondContact OE1-NZ 3.16Å; E73-K77 IonicContact OE2-NZ 3.72Å; E73-K77 PolarHBondContact OE2-NZ 3.38Å; E73-Y92 HydrophobicContact CG-CE2 3.69Å; E73-Y92 PolarHBondContact OE1-OH 3.15Å; E73-I94 HydrophobicContact CB-CD1 3.84Å; E73-I94 HydrophobicContact CB-CG1 4.23Å; E73-I94 HydrophobicContact CG-CD1 3.79Å; E73-I94 HydrophobicContact CG-CG1 4.12Å
74K98.1Very high98.3Very high146 Ų14648.7 Ų48.764%0.63522%0.216SC*.Hα-helixtrans-52.5-49.7178.1-179.3177.5174.2179.60112.3T72 L76 K77 E78T72-K74 VanDerWaalsContact C-N 3.28Å; T72-K74 PolarHBondContact O-N 2.99Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 PolarHBondContact O-N 3.38Å; K74-K77 PolarHBondContact O-N 3.22Å; K74-E78 WeakPolarHBondContact CE-OE1 3.45Å; K74-E78 WeakPolarHBondContact CG-OE1 3.48Å; K74-E78 WeakPolarHBondContact O-CG 3.31Å; K74-E78 PolarHBondContact O-N 3.13Å
75C97.4Very high98.3Very high15 Ų1548.8 Ų48.810%0.10122%0.223CC..Hα-helixtrans-68.3-33.7-179.4-59.40000112.6G47 R48 T72 E73 T79G47-C75 WeakPolarHBondContact O-CB 3.28Å; R48-C75 PolarHBondContact NH2-SG 3.43Å; T72-C75 HydrophobicContact CG2-CB 4.39Å; T72-C75 PolarHBondContact O-N 3.14Å; T72-C75 VanDerWaalsContact O-N 3.16Å; E73-C75 VanDerWaalsContact C-N 3.34Å; E73-C75 PolarHBondContact O-N 3.07Å; C75-T79 WeakPolarHBondContact O-CB 3.38Å; C75-T79 PolarHBondContact O-N 3.38Å; C75-T79 PolarHBondContact O-OG1 3.39Å
76L98.6Very high98.3Very high2 Ų251 Ų511%0.0123%0.234CC..Hα-helixtrans-67.2-43.8174.6-69.5172.9000111.4L68 G70 T72 E73 K74 T79 T80 Y92L68-L76 HydrophobicContact CB-CD2 3.81Å; G70-L76 WeakPolarHBondContact O-CD1 3.46Å; T72-L76 PolarHBondContact O-N 3.4Å; E73-L76 WeakPolarHBondContact O-CB 3.09Å; E73-L76 PolarHBondContact O-N 2.97Å; E73-L76 VanDerWaalsContact O-N 3.11Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 PolarHBondContact O-N 3.38Å; L76-T79 PolarHBondContact O-N 3.3Å; L76-T80 VanDerWaalsContact O-CB 3.25Å; L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 PolarHBondContact O-N 2.97Å; L76-T80 PolarHBondContact O-OG1 3.01Å; L76-Y92 HydrophobicContact CB-CD2 3.89Å; L76-Y92 HydrophobicContact CB-CG 3.88Å; L76-Y92 HydrophobicContact CD1-CD2 4.11Å
77K98.5Very high98.2Very high93 Ų9354.3 Ų54.340%0.40427%0.269SS..Hα-helixtrans-59.3-50.3174.9-77.6176.1174.6162.60111.2E73 K74 T79 T80 E81 Y92E73-K77 HydrophobicContact CG-CD 4.22Å; E73-K77 HydrophobicContact CG-CG 4.34Å; E73-K77 PolarHBondContact O-N 3.17Å; E73-K77 WeakPolarHBondContact OE1-CE 3.31Å; E73-K77 IonicContact OE1-NZ 2.91Å; E73-K77 PolarHBondContact OE1-NZ 3.16Å; E73-K77 IonicContact OE2-NZ 3.72Å; E73-K77 PolarHBondContact OE2-NZ 3.38Å; K74-K77 PolarHBondContact O-N 3.22Å; K77-T79 PolarHBondContact O-N 2.89Å; K77-T80 PolarHBondContact O-N 3.28Å; K77-E81 WeakPolarHBondContact O-CB 3.32Å; K77-E81 PolarHBondContact O-N 3.12Å; K77-Y92 WeakPolarHBondContact CE-OH 3.28Å; K77-Y92 HydrophobicContact CG-CD1 4.44Å; K77-Y92 HydrophobicContact CG-CE1 3.63Å; K77-Y92 HydrophobicContact CG-CE2 4.35Å
78E98.4Very high98.2Very high92 Ų9255 Ų5543%0.4327%0.273SS..Hα-helixtrans-56.5-48.2177.9-73.7167.4-177.200111.9K74 E82K74-E78 WeakPolarHBondContact CE-OE1 3.45Å; K74-E78 WeakPolarHBondContact CG-OE1 3.48Å; K74-E78 WeakPolarHBondContact O-CG 3.31Å; K74-E78 PolarHBondContact O-N 3.13Å; E78-E82 PolarHBondContact O-N 2.78Å; E78-E82 VanDerWaalsContact O-N 3.14Å
79T98.6Very high98.2Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-67.7-40.9178.7-53.20000111.4G47 R52 A55 L68 C75 L76 K77 E81 E82 I83G47-T79 WeakPolarHBondContact CA-OG1 3.19Å; G47-T79 PolarHBondContact O-OG1 3.23Å; G47-T79 VanDerWaalsContact O-OG1 3.12Å; R52-T79 HydrophobicContact CB-CG2 4.16Å; R52-T79 HydrophobicContact CG-CG2 3.75Å; A55-T79 HydrophobicContact CB-CG2 4.35Å; L68-T79 HydrophobicContact CD1-CG2 3.53Å; C75-T79 WeakPolarHBondContact O-CB 3.38Å; C75-T79 PolarHBondContact O-N 3.38Å; C75-T79 PolarHBondContact O-OG1 3.39Å; L76-T79 PolarHBondContact O-N 3.3Å; K77-T79 PolarHBondContact O-N 2.89Å; T79-E81 VanDerWaalsContact C-N 3.32Å; T79-E81 PolarHBondContact O-N 3.34Å; T79-E82 WeakPolarHBondContact O-CB 3.33Å; T79-E82 PolarHBondContact O-N 3.21Å; T79-I83 HydrophobicContact CG2-CG1 4.36Å; T79-I83 VanDerWaalsContact O-CG1 3.32Å; T79-I83 WeakPolarHBondContact O-CG1 3.36Å; T79-I83 PolarHBondContact O-N 3.33Å
80T98.8Very high98.2Very high2 Ų259 Ų591%0.01229%0.292CS..Hα-helixtrans-60.8-42.9179.2-61.60000111.7L76 K77 I83 R84 C90 Y92L76-T80 VanDerWaalsContact O-CB 3.25Å; L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 PolarHBondContact O-N 2.97Å; L76-T80 PolarHBondContact O-OG1 3.01Å; K77-T80 PolarHBondContact O-N 3.28Å; T80-I83 PolarHBondContact O-N 2.95Å; T80-R84 VanDerWaalsContact O-CG 3.31Å; T80-R84 WeakPolarHBondContact O-CG 3.4Å; T80-R84 PolarHBondContact O-N 3.02Å; T80-C90 HydrophobicContact CG2-CB 3.93Å; T80-C90 WeakPolarHBondContact CG2-O 3.39Å; T80-Y92 HydrophobicContact CG2-CD1 4.16Å; T80-Y92 WeakPolarHBondContact OG1-CD1 3.23Å
81E98.6Very high98.2Very high92 Ų9260.7 Ų60.743%0.4330%0.296SS..Hα-helixtrans-65.3-43.4178.8-17654-148.200111.4K77 T79 I83 R84 Q85K77-E81 WeakPolarHBondContact O-CB 3.32Å; K77-E81 PolarHBondContact O-N 3.12Å; T79-E81 VanDerWaalsContact C-N 3.32Å; T79-E81 PolarHBondContact O-N 3.34Å; E81-I83 PolarHBondContact O-N 3.16Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-Q85 VanDerWaalsContact O-CG 3.31Å; E81-Q85 WeakPolarHBondContact O-CG 3.4Å; E81-Q85 PolarHBondContact O-N 3.04Å; E81-Q85 PolarHBondContact OE1-NE2 3.4Å
82E98.4Very high98.3Very high30 Ų3058.3 Ų58.314%0.1429%0.288CS..Hα-helixtrans-56.4-46.8173176.2179.3-150.800112.2R52 R56 E78 T79 R84 Q85 M86R52-E82 IonicContact CZ-OE2 2.72Å; R52-E82 IonicContact NE-OE2 3.7Å; R52-E82 PolarHBondContact NE-OE2 2.71Å; R52-E82 VanDerWaalsContact NH2-CD 3.29Å; R52-E82 IonicContact NH2-OE1 3.12Å; R52-E82 PolarHBondContact NH2-OE1 3.47Å; R52-E82 IonicContact NH2-OE2 3.77Å; R52-E82 PolarHBondContact NH2-OE2 3Å; R56-E82 VanDerWaalsContact CD-OE1 3.32Å; R56-E82 WeakPolarHBondContact CD-OE1 3.34Å; R56-E82 IonicContact CZ-OE1 2.96Å; R56-E82 IonicContact NE-OE1 2.72Å; R56-E82 IonicContact NH1-OE1 3.32Å; R56-E82 PolarHBondContact NH1-OE1 2.87Å; E78-E82 PolarHBondContact O-N 2.78Å; E78-E82 VanDerWaalsContact O-N 3.14Å; T79-E82 WeakPolarHBondContact O-CB 3.33Å; T79-E82 PolarHBondContact O-N 3.21Å; E82-R84 VanDerWaalsContact C-N 3.34Å; E82-R84 PolarHBondContact O-N 3.39Å; E82-Q85 PolarHBondContact O-N 2.68Å; E82-M86 WeakPolarHBondContact O-CG 3.28Å; E82-M86 PolarHBondContact O-N 3.06Å
83I98.7Very high98.4Very high0 Ų056.7 Ų56.70%028%0.275CS..Hα-helixtrans-65.4-37.2178.7-62-50.9000112A55 R56 A59 I66 T79 T80 E81 Q85 M86 T88 C90A55-I83 VanDerWaalsContact C-CD1 3.49Å; A55-I83 HydrophobicContact CB-CD1 3.95Å; A55-I83 HydrophobicContact CB-CG1 4.09Å; R56-I83 HydrophobicContact CB-CD1 4.26Å; R56-I83 HydrophobicContact CG-CD1 3.75Å; A59-I83 HydrophobicContact CB-CD1 4.21Å; A59-I83 HydrophobicContact CB-CG2 4.04Å; I66-I83 HydrophobicContact CB-CG2 4.41Å; I66-I83 HydrophobicContact CD1-CG2 3.73Å; T79-I83 HydrophobicContact CG2-CG1 4.36Å; T79-I83 VanDerWaalsContact O-CG1 3.32Å; T79-I83 WeakPolarHBondContact O-CG1 3.36Å; T79-I83 PolarHBondContact O-N 3.33Å; T80-I83 PolarHBondContact O-N 2.95Å; E81-I83 PolarHBondContact O-N 3.16Å; I83-Q85 VanDerWaalsContact C-N 3.34Å; I83-M86 HydrophobicContact CD1-SD 3.92Å; I83-M86 WeakPolarHBondContact O-CB 3.49Å; I83-M86 PolarHBondContact O-N 2.82Å; I83-T88 HydrophobicContact CG2-CG2 4.12Å; I83-T88 PolarHBondContact O-N 3.45Å; I83-C90 HydrophobicContact CB-CB 3.86Å; I83-C90 HydrophobicContact CG2-CB 3.62Å
84R98.6Very high98.4Very high119 Ų11957.1 Ų57.145%0.44928%0.279SS..Hα-helixtrans-65.7-37.9175.7-74.3171.9179.6179.6-2.3112T80 E81 E82 M86 G87 T88 C90T80-R84 VanDerWaalsContact O-CG 3.31Å; T80-R84 WeakPolarHBondContact O-CG 3.4Å; T80-R84 PolarHBondContact O-N 3.02Å; E81-R84 PolarHBondContact O-N 3.34Å; E82-R84 VanDerWaalsContact C-N 3.34Å; E82-R84 PolarHBondContact O-N 3.39Å; R84-M86 PolarHBondContact O-N 2.89Å; R84-G87 WeakPolarHBondContact O-CA 3.35Å; R84-G87 PolarHBondContact O-N 2.78Å; R84-T88 WeakPolarHBondContact CA-O 3.28Å; R84-C90 HydrophobicContact CG-CB 4.12Å; R84-C90 VanDerWaalsContact CZ-O 3.28Å; R84-C90 PolarHBondContact NE-O 2.88Å; R84-C90 PolarHBondContact NH2-O 2.82Å
85Q98.3Very high98.5Very high145 Ų14550.2 Ų50.268%0.67825%0.25SC*.Hα-helixtrans-64.4-24.9175-71.4170.77.900112.6E81 E82 I83 G87E81-Q85 VanDerWaalsContact O-CG 3.31Å; E81-Q85 WeakPolarHBondContact O-CG 3.4Å; E81-Q85 PolarHBondContact O-N 3.04Å; E81-Q85 PolarHBondContact OE1-NE2 3.4Å; E82-Q85 PolarHBondContact O-N 2.68Å; I83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-G87 PolarHBondContact O-N 3.01Å
86M97.9Very high98.5Very high71 Ų7151.4 Ų51.435%0.3526%0.255SS..THydrogen-bonded Turntrans-78.4-0.8171-59.4164.568.700113.2R56 A59 E60 E82 I83 R84R56-M86 HydrophobicContact CB-CE 4.41Å; R56-M86 HydrophobicContact CG-SD 4.27Å; A59-M86 HydrophobicContact CB-CE 3.91Å; A59-M86 HydrophobicContact CB-SD 4.42Å; E60-M86 HydrophobicContact CG-CE 3.36Å; E82-M86 WeakPolarHBondContact O-CG 3.28Å; E82-M86 PolarHBondContact O-N 3.06Å; I83-M86 HydrophobicContact CD1-SD 3.92Å; I83-M86 WeakPolarHBondContact O-CB 3.49Å; I83-M86 PolarHBondContact O-N 2.82Å; R84-M86 PolarHBondContact O-N 2.89Å
87G97.9Very high98.5Very high70 Ų7051.8 Ų51.872%0.72226%0.257SS*.THydrogen-bonded Turntrans87.28.8178.100000115R84 Q85R84-G87 WeakPolarHBondContact O-CA 3.35Å; R84-G87 PolarHBondContact O-N 2.78Å; Q85-G87 PolarHBondContact O-N 3.01Å
88T98.4Very high98.4Very high14 Ų1448 Ų489%0.08625%0.245CC..  trans-99.4135.2179.2-59.80000111.4A59 A63 I66 I83 R84 C90A59-T88 HydrophobicContact CB-CG2 4.33Å; A59-T88 WeakPolarHBondContact CB-OG1 3.24Å; A63-T88 WeakPolarHBondContact O-CG2 3.44Å; I66-T88 HydrophobicContact CD1-CG2 3.94Å; I66-T88 HydrophobicContact CG1-CG2 4.12Å; I83-T88 HydrophobicContact CG2-CG2 4.12Å; I83-T88 PolarHBondContact O-N 3.45Å; R84-T88 WeakPolarHBondContact CA-O 3.28Å; T88-C90 PolarHBondContact O-N 3.04Å; T88-C90 VanDerWaalsContact O-N 3.16Å
89E98.5Very high98.4Very high85 Ų8546.9 Ų46.940%0.39724%0.242SC..EExtended strand (participates in β ladder)trans-63.9117174.4-174.4-173.8148.600109.7K65 I66 H91K65-E89 CarbonylContact C-O 3.6Å; K65-E89 VanDerWaalsContact CA-O 3.29Å; K65-E89 WeakPolarHBondContact CA-O 3.5Å; K65-E89 WeakPolarHBondContact CD-OE1 3.37Å; K65-E89 VanDerWaalsContact CE-CD 3.47Å; K65-E89 WeakPolarHBondContact CE-OE1 3.42Å; K65-E89 WeakPolarHBondContact CE-OE2 3.39Å; K65-E89 HydrophobicContact CG-CB 4.22Å; K65-E89 HydrophobicContact CG-CG 4.42Å; K65-E89 VanDerWaalsContact NZ-CD 3.34Å; K65-E89 IonicContact NZ-OE1 3.29Å; K65-E89 PolarHBondContact NZ-OE1 2.68Å; K65-E89 IonicContact NZ-OE2 3.54Å; K65-E89 PolarHBondContact NZ-OE2 3.07Å; K65-E89 VanDerWaalsContact NZ-OE2 3.14Å; I66-E89 PolarHBondContact N-O 2.83Å; E89-H91 IonicContact OE1-CD2 3.08Å; E89-H91 IonicContact OE1-CE1 3.49Å; E89-H91 IonicContact OE1-NE2 2.83Å; E89-H91 PolarHBondContact OE1-NE2 2.91Å
90C98.8Very high98.4Very high1 Ų152.9 Ų52.91%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-126.3136.4-179.5-166.10000112I66 T80 I83 R84 T88I66-C90 HydrophobicContact CB-CB 4.47Å; I66-C90 CarbonylContact O-C 3.57Å; I66-C90 VanDerWaalsContact O-CA 3.28Å; I66-C90 WeakPolarHBondContact O-CA 3.06Å; T80-C90 HydrophobicContact CG2-CB 3.93Å; T80-C90 WeakPolarHBondContact CG2-O 3.39Å; I83-C90 HydrophobicContact CB-CB 3.86Å; I83-C90 HydrophobicContact CG2-CB 3.62Å; R84-C90 HydrophobicContact CG-CB 4.12Å; R84-C90 VanDerWaalsContact CZ-O 3.28Å; R84-C90 PolarHBondContact NE-O 2.88Å; R84-C90 PolarHBondContact NH2-O 2.82Å; T88-C90 PolarHBondContact O-N 3.04Å; T88-C90 VanDerWaalsContact O-N 3.16Å
91H98.7Very high98.4Very high47 Ų4757.1 Ų57.122%0.21828%0.284CS..EExtended strand (participates in β ladder)trans-123.8152.8174.3-60-87.4000109.7I66 V67 L68 E89 F93 V114I66-H91 PolarHBondContact O-N 2.65Å; V67-H91 CarbonylContact C-O 3.39Å; V67-H91 WeakPolarHBondContact CA-O 3.34Å; L68-H91 PolarHBondContact N-O 3.29Å; E89-H91 IonicContact OE1-CD2 3.08Å; E89-H91 IonicContact OE1-CE1 3.49Å; E89-H91 IonicContact OE1-NE2 2.83Å; E89-H91 PolarHBondContact OE1-NE2 2.91Å; H91-F93 HydrophobicContact CB-CE2 4.06Å; H91-V114 HydrophobicContact CB-CG2 4.24Å
92Y98.8Very high98.4Very high69 Ų6955.2 Ų55.227%0.27128%0.275SS..EExtended strand (participates in β ladder)trans-128.3152.8168.472.2-90.8000111.4L68 E73 L76 K77 T80L68-Y92 CarbonylContact O-C 3.54Å; L68-Y92 VanDerWaalsContact O-CA 3.24Å; L68-Y92 WeakPolarHBondContact O-CA 3.43Å; E73-Y92 HydrophobicContact CG-CE2 3.69Å; E73-Y92 PolarHBondContact OE1-OH 3.15Å; L76-Y92 HydrophobicContact CB-CD2 3.89Å; L76-Y92 HydrophobicContact CB-CG 3.88Å; L76-Y92 HydrophobicContact CD1-CD2 4.11Å; K77-Y92 WeakPolarHBondContact CE-OH 3.28Å; K77-Y92 HydrophobicContact CG-CD1 4.44Å; K77-Y92 HydrophobicContact CG-CE1 3.63Å; K77-Y92 HydrophobicContact CG-CE2 4.35Å; T80-Y92 HydrophobicContact CG2-CD1 4.16Å; T80-Y92 WeakPolarHBondContact OG1-CD1 3.23Å
93F98.8Very high98.4Very high25 Ų2553.8 Ų53.811%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-133.9136173.4-63.3-101.9000109V67 L68 W69 G70 H91 C95 T106 A109 V110 K113 V114V67-F93 HydrophobicContact CG1-CD2 3.66Å; V67-F93 HydrophobicContact CG1-CE2 3.78Å; L68-F93 PolarHBondContact O-N 3.01Å; W69-F93 WeakPolarHBondContact CA-O 3.32Å; W69-F93 AromaticContact NE1-CD2 3.97Å; G70-F93 PolarHBondContact N-O 3.38Å; H91-F93 HydrophobicContact CB-CE2 4.06Å; F93-C95 PolarHBondContact O-N 3Å; F93-T106 HydrophobicContact CB-CG2 3.44Å; F93-T106 VanDerWaalsContact CB-CG2 3.44Å; F93-T106 HydrophobicContact CD1-CG2 3.94Å; F93-T106 HydrophobicContact CG-CG2 3.86Å; F93-A109 HydrophobicContact CD1-CB 4.49Å; F93-A109 HydrophobicContact CE1-CB 4.07Å; F93-V110 HydrophobicContact CD1-CG2 4.29Å; F93-V110 HydrophobicContact CD2-CG2 3.7Å; F93-V110 HydrophobicContact CE1-CG2 4.15Å; F93-V110 HydrophobicContact CE2-CG2 3.58Å; F93-V110 HydrophobicContact CG-CG2 4.08Å; F93-V110 HydrophobicContact CZ-CB 4.47Å; F93-V110 HydrophobicContact CZ-CG2 3.81Å; F93-K113 HydrophobicContact CE1-CD 4.18Å; F93-K113 HydrophobicContact CZ-CB 4.39Å; F93-K113 HydrophobicContact CZ-CD 4.21Å; F93-V114 HydrophobicContact CE2-CG2 4.16Å; F93-V114 HydrophobicContact CZ-CG2 4.25Å
94I98.6Very high98.4Very high81 Ų8157.7 Ų57.742%0.41528%0.284SS..EExtended strand (participates in β ladder)trans-74124.3169-55.7173.9000106.9G70 E73G70-I94 CarbonylContact O-C 3.36Å; G70-I94 VanDerWaalsContact O-CA 3.27Å; G70-I94 WeakPolarHBondContact O-CA 3.49Å; E73-I94 HydrophobicContact CB-CD1 3.84Å; E73-I94 HydrophobicContact CB-CG1 4.23Å; E73-I94 HydrophobicContact CG-CD1 3.79Å; E73-I94 HydrophobicContact CG-CG1 4.12Å
95C98.4Very high98.4Very high2 Ų258.5 Ų58.51%0.01429%0.293CS..  trans-157.1123.4179.8-1760000110W69 G70 F93 E102 T106W69-C95 HydrophobicContact CB-CB 4.37Å; W69-C95 HydrophobicContact CD2-CB 4.04Å; W69-C95 HydrophobicContact CE3-CB 3.91Å; W69-C95 VanDerWaalsContact CE3-SG 3.52Å; W69-C95 HydrophobicContact CG-CB 4.26Å; G70-C95 CarbonylContact C-O 3.46Å; G70-C95 PolarHBondContact O-N 3.27Å; F93-C95 PolarHBondContact O-N 3Å; C95-E102 VanDerWaalsContact CA-OE1 3.29Å; C95-E102 WeakPolarHBondContact CA-OE1 3.39Å; C95-T106 HydrophobicContact CB-CG2 4.13Å
96D98.2Very high98.5Very high39 Ų3952.3 Ų52.321%0.20927%0.265CS..  trans-83.9107.5160-162.9-24.9000109.7R71 G98 N99 E102R71-D96 WeakPolarHBondContact CD-OD2 3.32Å; R71-D96 HydrophobicContact CG-CB 4.05Å; R71-D96 IonicContact CZ-OD2 3.82Å; R71-D96 IonicContact NE-OD2 3.89Å; R71-D96 IonicContact NH1-OD2 2.91Å; R71-D96 PolarHBondContact NH1-OD2 3.26Å; D96-G98 PolarHBondContact O-N 2.96Å; D96-G98 VanDerWaalsContact O-N 3.1Å; D96-G98 WeakPolarHBondContact OD1-CA 3.23Å; D96-G98 PolarHBondContact OD1-N 3.18Å; D96-N99 HydrophobicContact CB-CB 4.45Å; D96-N99 PolarHBondContact O-N 3.32Å; D96-E102 WeakPolarHBondContact CA-OE2 3.38Å; D96-E102 WeakPolarHBondContact CB-OE2 3.33Å; D96-E102 PolarHBondContact N-OE1 3.08Å; D96-E102 PolarHBondContact N-OE2 3.5Å
97V98.3Very high98.5Very high10 Ų1049.1 Ų49.16%0.06125%0.25CC..THydrogen-bonded Turntrans-65.6-12.7177.2-60.80000113.4T44 W69 V103 A124 I146 G150 W153T44-V97 HydrophobicContact CG2-CG1 3.97Å; W69-V97 HydrophobicContact CE3-CG1 4.19Å; V97-V103 HydrophobicContact CB-CG2 4.32Å; V97-A124 HydrophobicContact CG2-CB 3.64Å; V97-I146 HydrophobicContact CG2-CG2 3.94Å; V97-G150 WeakPolarHBondContact O-CA 3.3Å; V97-W153 VanDerWaalsContact O-CE3 3.22Å; V97-W153 WeakPolarHBondContact O-CZ3 3.41Å
98G97.6Very high98.5Very high14 Ų1452.4 Ų52.414%0.14424%0.244CC..THydrogen-bonded Turntrans-77.2-6.9170.500000113.9D96 W153D96-G98 PolarHBondContact O-N 2.96Å; D96-G98 VanDerWaalsContact O-N 3.1Å; D96-G98 WeakPolarHBondContact OD1-CA 3.23Å; D96-G98 PolarHBondContact OD1-N 3.18Å; G98-W153 VanDerWaalsContact C-CZ3 3.45Å; G98-W153 WeakPolarHBondContact O-CZ3 3.48Å
99N98.4Very high98.5Very high69 Ų6953.1 Ų53.137%0.36925%0.251SS..  trans-109.1115.2174.6-175-48000110.5D96 E101 E102 V103D96-N99 HydrophobicContact CB-CB 4.45Å; D96-N99 PolarHBondContact O-N 3.32Å; N99-E101 PolarHBondContact O-N 3.45Å; N99-E101 PolarHBondContact OD1-N 3.43Å; N99-E101 PolarHBondContact OD1-OE2 2.76Å; N99-E102 HydrophobicContact CB-CB 3.9Å; N99-E102 PolarHBondContact O-N 2.95Å; N99-E102 PolarHBondContact OD1-N 3.17Å; N99-V103 WeakPolarHBondContact O-CG2 3.39Å; N99-V103 PolarHBondContact O-N 2.91Å; N99-V103 VanDerWaalsContact O-N 3.08Å
100R98.5Very high98.5Very high126 Ų12649 Ų4948%0.47523%0.232SC..Hα-helixtrans-62-46.3-176.5-179.5-176.569.9172.90.3112.5V103 Y104 W153R100-V103 PolarHBondContact O-N 3.34Å; R100-Y104 HydrophobicContact CG-CD2 3.9Å; R100-Y104 HydrophobicContact CG-CE2 3.44Å; R100-Y104 VanDerWaalsContact CG-CE2 3.44Å; R100-Y104 WeakPolarHBondContact O-CD2 3.49Å; R100-Y104 PolarHBondContact O-N 2.82Å; R100-W153 HydrophobicContact CB-CD2 3.78Å; R100-W153 HydrophobicContact CB-CE3 4.08Å; R100-W153 HydrophobicContact CB-CG 4.29Å; R100-W153 HydrophobicContact CB-CH2 4.22Å; R100-W153 HydrophobicContact CB-CZ2 3.9Å; R100-W153 HydrophobicContact CB-CZ3 4.32Å; R100-W153 HydrophobicContact CG-CD2 3.98Å; R100-W153 HydrophobicContact CG-CG 3.97Å; R100-W153 HydrophobicContact CG-CZ2 4.5Å
101E98.6Very high98.5Very high90 Ų9054.7 Ų54.742%0.42125%0.253SS..Hα-helixtrans-64.4-43.9-177.4-70.863-140.900110.5N99 Y104 Q105N99-E101 PolarHBondContact O-N 3.45Å; N99-E101 PolarHBondContact OD1-N 3.43Å; N99-E101 PolarHBondContact OD1-OE2 2.76Å; E101-Y104 PolarHBondContact O-N 2.8Å; E101-Q105 WeakPolarHBondContact O-CB 3.47Å; E101-Q105 VanDerWaalsContact O-CG 3.29Å; E101-Q105 WeakPolarHBondContact O-CG 3.31Å; E101-Q105 PolarHBondContact O-N 3.28Å
102E98.4Very high98.4Very high52 Ų5259 Ų5924%0.24327%0.274CS..Hα-helixtrans-61.2-45.4176.7-163.4178.4-176.600111C95 D96 N99 Y104 Q105 T106C95-E102 VanDerWaalsContact CA-OE1 3.29Å; C95-E102 WeakPolarHBondContact CA-OE1 3.39Å; D96-E102 WeakPolarHBondContact CA-OE2 3.38Å; D96-E102 WeakPolarHBondContact CB-OE2 3.33Å; D96-E102 PolarHBondContact N-OE1 3.08Å; D96-E102 PolarHBondContact N-OE2 3.5Å; N99-E102 HydrophobicContact CB-CB 3.9Å; N99-E102 PolarHBondContact O-N 2.95Å; N99-E102 PolarHBondContact OD1-N 3.17Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.43Å; E102-Q105 PolarHBondContact O-N 3.07Å; E102-T106 WeakPolarHBondContact O-CB 3.3Å; E102-T106 PolarHBondContact O-N 2.79Å; E102-T106 PolarHBondContact O-OG1 3.01Å
103V98.9Very high98.3Very high0 Ų063.2 Ų63.20%029%0.293CS..Hα-helixtrans-54.5-48.2176.1167.20000112W69 V97 N99 R100 A107 W153 T154W69-V103 HydrophobicContact CH2-CG1 4.44Å; W69-V103 WeakPolarHBondContact CH2-O 3.32Å; W69-V103 HydrophobicContact CZ3-CB 4.45Å; W69-V103 HydrophobicContact CZ3-CG1 4.12Å; W69-V103 HydrophobicContact CZ3-CG2 4.34Å; V97-V103 HydrophobicContact CB-CG2 4.32Å; N99-V103 WeakPolarHBondContact O-CG2 3.39Å; N99-V103 PolarHBondContact O-N 2.91Å; N99-V103 VanDerWaalsContact O-N 3.08Å; R100-V103 PolarHBondContact O-N 3.34Å; V103-A107 VanDerWaalsContact O-CB 3.23Å; V103-A107 WeakPolarHBondContact O-CB 3.48Å; V103-A107 PolarHBondContact O-N 3.3Å; V103-W153 HydrophobicContact CB-CB 4.23Å; V103-W153 HydrophobicContact CG1-CB 3.76Å; V103-W153 HydrophobicContact CG2-CE3 4.43Å; V103-T154 HydrophobicContact CG1-CG2 3.93Å; V103-T154 HydrophobicContact CG2-CG2 4.49Å
104Y98.8Very high98.3Very high82 Ų8262.5 Ų62.532%0.32229%0.291SS..Hα-helixtrans-71.2-38.4-178.3-67.4-51.9000112.8R100 E101 E102 A107 K108 K156 A157R100-Y104 HydrophobicContact CG-CD2 3.9Å; R100-Y104 HydrophobicContact CG-CE2 3.44Å; R100-Y104 VanDerWaalsContact CG-CE2 3.44Å; R100-Y104 WeakPolarHBondContact O-CD2 3.49Å; R100-Y104 PolarHBondContact O-N 2.82Å; E101-Y104 PolarHBondContact O-N 2.8Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.43Å; Y104-A107 PolarHBondContact O-N 3.16Å; Y104-K108 PolarHBondContact O-N 3.25Å; Y104-K108 VanDerWaalsContact O-N 3.09Å; Y104-K156 HydrophobicContact CE1-CB 4.39Å; Y104-A157 HydrophobicContact CD1-CB 4Å; Y104-A157 HydrophobicContact CE1-CB 4.14Å
105Q98.6Very high98.2Very high137 Ų13759.8 Ų59.864%0.6428%0.283SS*.Hα-helixtrans-63.6-46.7175.4-72.2175.71.600111.3E101 E102 K108 A109E101-Q105 WeakPolarHBondContact O-CB 3.47Å; E101-Q105 VanDerWaalsContact O-CG 3.29Å; E101-Q105 WeakPolarHBondContact O-CG 3.31Å; E101-Q105 PolarHBondContact O-N 3.28Å; E102-Q105 PolarHBondContact O-N 3.07Å; Q105-K108 WeakPolarHBondContact O-CB 3.18Å; Q105-K108 PolarHBondContact O-N 2.72Å; Q105-A109 PolarHBondContact O-N 2.86Å; Q105-A109 VanDerWaalsContact O-N 3.1Å
106T98.8Very high98.2Very high14 Ų1461.9 Ų61.99%0.08629%0.294CS..Hα-helixtrans-66.1-39.1177.6-51.40000111.4W69 F93 C95 E102 K108 A109 V110W69-T106 HydrophobicContact CD2-CG2 4.24Å; W69-T106 HydrophobicContact CH2-CG2 4.12Å; W69-T106 HydrophobicContact CZ2-CG2 3.47Å; W69-T106 VanDerWaalsContact CZ2-CG2 3.47Å; F93-T106 HydrophobicContact CB-CG2 3.44Å; F93-T106 VanDerWaalsContact CB-CG2 3.44Å; F93-T106 HydrophobicContact CD1-CG2 3.94Å; F93-T106 HydrophobicContact CG-CG2 3.86Å; C95-T106 HydrophobicContact CB-CG2 4.13Å; E102-T106 WeakPolarHBondContact O-CB 3.3Å; E102-T106 PolarHBondContact O-N 2.79Å; E102-T106 PolarHBondContact O-OG1 3.01Å; T106-K108 VanDerWaalsContact C-N 3.3Å; T106-K108 PolarHBondContact O-N 3.12Å; T106-A109 PolarHBondContact O-N 3.26Å; T106-V110 HydrophobicContact CG2-CG2 4.45Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 2.93Å
107A98.8Very high98.2Very high4 Ų460.4 Ų60.43%0.03329%0.286CS..Hα-helixtrans-60.3-39.4175.600000112.4W69 V103 Y104 V110 R111 A157 F158W69-A107 HydrophobicContact CH2-CB 4.09Å; W69-A107 HydrophobicContact CZ2-CB 4.45Å; V103-A107 VanDerWaalsContact O-CB 3.23Å; V103-A107 WeakPolarHBondContact O-CB 3.48Å; V103-A107 PolarHBondContact O-N 3.3Å; Y104-A107 PolarHBondContact O-N 3.16Å; A107-V110 PolarHBondContact O-N 3.38Å; A107-R111 PolarHBondContact O-N 2.72Å; A107-A157 HydrophobicContact CB-CB 3.7Å; A107-F158 HydrophobicContact CB-CE1 3.98Å; A107-F158 HydrophobicContact CB-CE2 4.18Å; A107-F158 HydrophobicContact CB-CZ 3.58Å
108K98.5Very high98.2Very high139 Ų13960.4 Ų60.460%0.60429%0.286SS*.Hα-helixtrans-61.8-48.2173-174-177.7175.5-173.20111.1Y104 Q105 T106 V110 R111 E112Y104-K108 PolarHBondContact O-N 3.25Å; Y104-K108 VanDerWaalsContact O-N 3.09Å; Q105-K108 WeakPolarHBondContact O-CB 3.18Å; Q105-K108 PolarHBondContact O-N 2.72Å; T106-K108 VanDerWaalsContact C-N 3.3Å; T106-K108 PolarHBondContact O-N 3.12Å; K108-V110 VanDerWaalsContact C-N 3.32Å; K108-V110 PolarHBondContact O-N 3.31Å; K108-R111 WeakPolarHBondContact O-CB 3.45Å; K108-R111 PolarHBondContact O-N 2.7Å; K108-R111 VanDerWaalsContact O-N 3.14Å; K108-E112 WeakPolarHBondContact CE-OE1 3.33Å; K108-E112 WeakPolarHBondContact O-CG 3.37Å; K108-E112 PolarHBondContact O-N 2.82Å
109A98.5Very high98.3Very high29 Ų2959.8 Ų59.824%0.2428%0.28CS..Hα-helixtrans-62.2-37.1178.300000113F93 Q105 T106 E112 K113F93-A109 HydrophobicContact CD1-CB 4.49Å; F93-A109 HydrophobicContact CE1-CB 4.07Å; Q105-A109 PolarHBondContact O-N 2.86Å; Q105-A109 VanDerWaalsContact O-N 3.1Å; T106-A109 PolarHBondContact O-N 3.26Å; A109-E112 PolarHBondContact O-N 2.93Å; A109-K113 WeakPolarHBondContact O-CB 3.39Å; A109-K113 PolarHBondContact O-N 3.05Å
110V98.6Very high98.3Very high0 Ų056.5 Ų56.50%026%0.262CS..Hα-helixtrans-61.8-46173.1168.70000110.6L42 V67 W69 F93 T106 A107 K108 E112 K113 V114 G115 I117 F158L42-V110 HydrophobicContact CD1-CG1 4.29Å; L42-V110 HydrophobicContact CD1-CG2 4.41Å; V67-V110 HydrophobicContact CG1-CG1 4.42Å; V67-V110 HydrophobicContact CG1-CG2 4.02Å; W69-V110 HydrophobicContact CZ2-CG2 3.86Å; F93-V110 HydrophobicContact CD1-CG2 4.29Å; F93-V110 HydrophobicContact CD2-CG2 3.7Å; F93-V110 HydrophobicContact CE1-CG2 4.15Å; F93-V110 HydrophobicContact CE2-CG2 3.58Å; F93-V110 HydrophobicContact CG-CG2 4.08Å; F93-V110 HydrophobicContact CZ-CB 4.47Å; F93-V110 HydrophobicContact CZ-CG2 3.81Å; T106-V110 HydrophobicContact CG2-CG2 4.45Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 2.93Å; A107-V110 PolarHBondContact O-N 3.38Å; K108-V110 VanDerWaalsContact C-N 3.32Å; K108-V110 PolarHBondContact O-N 3.31Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 PolarHBondContact O-N 3.41Å; V110-K113 PolarHBondContact O-N 3.45Å; V110-V114 HydrophobicContact CG1-CB 4.32Å; V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CA 3.33Å; V110-V114 WeakPolarHBondContact O-CB 3.28Å; V110-V114 PolarHBondContact O-N 3.43Å; V110-G115 PolarHBondContact O-N 2.98Å; V110-I117 HydrophobicContact CG1-CD1 3.76Å; V110-I117 HydrophobicContact CG1-CG1 3.83Å; V110-F158 HydrophobicContact CG1-CE1 4.43Å
111R97.3Very high98.4Very high119 Ų11950.5 Ų50.545%0.44924%0.239SC..Hα-helixtrans-61.6-41179.8-167.9176.9-57.3-170.11.4112.1A107 K108 G115 A157A107-R111 PolarHBondContact O-N 2.72Å; K108-R111 WeakPolarHBondContact O-CB 3.45Å; K108-R111 PolarHBondContact O-N 2.7Å; K108-R111 VanDerWaalsContact O-N 3.14Å; R111-G115 WeakPolarHBondContact O-CA 3.33Å; R111-G115 PolarHBondContact O-N 2.83Å; R111-A157 PolarHBondContact NH2-O 3.24Å; R111-A157 VanDerWaalsContact NH2-O 3.12Å
112E97.4Very high98.4Very high138 Ų13846.3 Ų46.365%0.64522%0.22SC*.Hα-helixtrans-69.3-40.8178.7-70.3170.418000112.8K108 A109 V110K108-E112 WeakPolarHBondContact CE-OE1 3.33Å; K108-E112 WeakPolarHBondContact O-CG 3.37Å; K108-E112 PolarHBondContact O-N 2.82Å; A109-E112 PolarHBondContact O-N 2.93Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 PolarHBondContact O-N 3.41Å
113K97.3Very high98.4Very high157 Ų15744.9 Ų44.968%0.68321%0.214SC*.Hα-helixtrans-90.1-36.8-174.9-76.3-179.7172.9178.60114.7F93 A109 V110F93-K113 HydrophobicContact CE1-CD 4.18Å; F93-K113 HydrophobicContact CZ-CB 4.39Å; F93-K113 HydrophobicContact CZ-CD 4.21Å; A109-K113 WeakPolarHBondContact O-CB 3.39Å; A109-K113 PolarHBondContact O-N 3.05Å; V110-K113 PolarHBondContact O-N 3.45Å
114V97.4Very high98.3Very high11 Ų1145.6 Ų45.67%0.06722%0.22CC..THydrogen-bonded Turntrans-109.2-41.3-170.2-171.50000111.2K65 V67 H91 F93 V110K65-V114 HydrophobicContact CB-CG1 4.45Å; K65-V114 HydrophobicContact CD-CG1 3.74Å; V67-V114 HydrophobicContact CG2-CB 4.27Å; V67-V114 HydrophobicContact CG2-CG1 3.74Å; V67-V114 HydrophobicContact CG2-CG2 3.98Å; H91-V114 HydrophobicContact CB-CG2 4.24Å; F93-V114 HydrophobicContact CE2-CG2 4.16Å; F93-V114 HydrophobicContact CZ-CG2 4.25Å; V110-V114 HydrophobicContact CG1-CB 4.32Å; V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CA 3.33Å; V110-V114 WeakPolarHBondContact O-CB 3.28Å; V110-V114 PolarHBondContact O-N 3.43Å
115G97.3Very high98.2Very high24 Ų2442.7 Ų42.725%0.24721%0.213CC..  trans112.5-157.8-176.600000113V110 R111 I117V110-G115 PolarHBondContact O-N 2.98Å; R111-G115 WeakPolarHBondContact O-CA 3.33Å; R111-G115 PolarHBondContact O-N 2.83Å; G115-I117 PolarHBondContact O-N 2.93Å
116D98.2Very high98Very high46 Ų4637.7 Ų37.725%0.24619%0.192CC..  trans-72.9126.7-177.1-67.4-34.7000111N40 R161 L165N40-D116 WeakPolarHBondContact CB-O 3.29Å; N40-D116 PolarHBondContact ND2-O 2.95Å; D116-R161 HydrophobicContact CB-CG 4.27Å; D116-R161 VanDerWaalsContact OD1-CG 3.31Å; D116-R161 WeakPolarHBondContact OD1-CG 3.43Å; D116-R161 IonicContact OD1-NE 2.75Å; D116-R161 PolarHBondContact OD1-NE 2.99Å; D116-R161 IonicContact OD2-CZ 3.57Å; D116-R161 IonicContact OD2-NE 2.79Å; D116-R161 PolarHBondContact OD2-NE 2.83Å; D116-R161 IonicContact OD2-NH2 3.14Å; D116-R161 PolarHBondContact OD2-NH2 3.44Å; D116-R161 VanDerWaalsContact OD2-NH2 3.08Å; D116-L165 HydrophobicContact CB-CD1 3.96Å; D116-L165 WeakPolarHBondContact OD2-CD1 3.27Å
117I98.8Very high97.7Very high8 Ų838.1 Ų38.14%0.04119%0.194CC..  trans-82.7126.7174.7-61.4-55.3000108.8N40 L42 V67 V110 G115 I119 F158 M162N40-I117 HydrophobicContact CB-CD1 4.28Å; L42-I117 HydrophobicContact CB-CD1 4.15Å; L42-I117 HydrophobicContact CB-CG1 4.22Å; L42-I117 HydrophobicContact CB-CG2 3.7Å; L42-I117 HydrophobicContact CD1-CD1 4.36Å; L42-I117 HydrophobicContact CD1-CG1 4.08Å; V67-I117 HydrophobicContact CG2-CD1 4.06Å; V110-I117 HydrophobicContact CG1-CD1 3.76Å; V110-I117 HydrophobicContact CG1-CG1 3.83Å; G115-I117 PolarHBondContact O-N 2.93Å; I117-I119 VanDerWaalsContact CG2-O 3.32Å; I117-I119 WeakPolarHBondContact CG2-O 3.43Å; I117-F158 HydrophobicContact CB-CD1 3.91Å; I117-F158 HydrophobicContact CB-CE1 4.32Å; I117-F158 HydrophobicContact CB-CG 4.5Å; I117-F158 HydrophobicContact CG1-CD1 3.91Å; I117-F158 HydrophobicContact CG1-CE1 3.79Å; I117-M162 HydrophobicContact CG2-CE 4.13Å; I117-M162 VanDerWaalsContact O-CE 3.23Å; I117-M162 WeakPolarHBondContact O-CE 3.5Å
118T98.8Very high97.3Very high10 Ų1040.5 Ų40.56%0.06121%0.205CC..SBendtrans-106.8-20.7-177.9590000112.2E39 N40 N167 G168 H169E39-T118 VanDerWaalsContact CA-OG1 3.31Å; E39-T118 WeakPolarHBondContact CA-OG1 3.49Å; E39-T118 WeakPolarHBondContact OE2-CB 3.19Å; E39-T118 PolarHBondContact OE2-OG1 3.43Å; N40-T118 PolarHBondContact N-OG1 3.47Å; N40-T118 PolarHBondContact O-N 3.25Å; N40-T118 PolarHBondContact O-OG1 2.93Å; T118-N167 VanDerWaalsContact CG2-ND2 3.28Å; T118-N167 WeakPolarHBondContact CG2-ND2 3.41Å; T118-G168 CarbonylContact O-C 3.56Å; T118-G168 VanDerWaalsContact O-CA 3.24Å; T118-G168 WeakPolarHBondContact O-CA 3.46Å; T118-H169 PolarHBondContact O-N 3.42Å
119I98.9Very high96.8Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-129.1117.5172.1-56.1-178.7000108.7L36 E39 N40 V41 L42 F58 I117 V121 H169 V171 V254L36-I119 HydrophobicContact CD2-CD1 4.14Å; E39-I119 HydrophobicContact CB-CD1 3.83Å; E39-I119 HydrophobicContact CB-CG1 4.25Å; E39-I119 HydrophobicContact CG-CD1 3.97Å; N40-I119 PolarHBondContact O-N 3.43Å; N40-I119 VanDerWaalsContact O-N 3.15Å; V41-I119 CarbonylContact C-O 3.33Å; V41-I119 WeakPolarHBondContact CA-O 3.5Å; V41-I119 HydrophobicContact CB-CB 4.42Å; V41-I119 HydrophobicContact CG1-CB 4.17Å; V41-I119 HydrophobicContact CG1-CG2 4.06Å; V41-I119 HydrophobicContact CG2-CB 4.14Å; V41-I119 HydrophobicContact CG2-CD1 4.18Å; L42-I119 PolarHBondContact N-O 2.94Å; F58-I119 HydrophobicContact CE1-CD1 4.17Å; F58-I119 HydrophobicContact CE1-CG2 4.47Å; F58-I119 HydrophobicContact CZ-CG2 4.19Å; I117-I119 VanDerWaalsContact CG2-O 3.32Å; I117-I119 WeakPolarHBondContact CG2-O 3.43Å; I119-V121 HydrophobicContact CG2-CG2 3.97Å; I119-H169 CarbonylContact C-O 3.55Å; I119-H169 WeakPolarHBondContact CA-O 3.24Å; I119-H169 HydrophobicContact CB-CB 4.45Å; I119-H169 HydrophobicContact CG1-CB 4Å; I119-H169 HydrophobicContact CG2-CB 4.3Å; I119-V171 HydrophobicContact CG2-CG2 4.18Å; I119-V254 HydrophobicContact CD1-CG1 4.04Å
120L98.9Very high96.4Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-104.7118.7173.8171.765000109.5L42 F158 M162 H169 I170 V171L42-L120 HydrophobicContact CB-CD1 4.37Å; L42-L120 HydrophobicContact CD2-CD1 3.58Å; L42-L120 HydrophobicContact CG-CD1 4.46Å; L120-F158 HydrophobicContact CD1-CD2 3.96Å; L120-F158 HydrophobicContact CD1-CE2 4.3Å; L120-F158 HydrophobicContact CD2-CB 4.46Å; L120-F158 HydrophobicContact CD2-CD2 4.07Å; L120-M162 HydrophobicContact CB-CE 3.95Å; L120-H169 PolarHBondContact N-O 3.49Å; L120-I170 HydrophobicContact CB-CD1 3.9Å; L120-I170 HydrophobicContact CD2-CD1 4.03Å; L120-V171 PolarHBondContact O-N 3.18Å
121V98.9Very high96Very high0 Ų039.7 Ų39.70%021%0.205CC..EExtended strand (participates in β ladder)trans-107.999.4177.7-170.30000110.2V41 L42 I43 T44 L54 F58 I119 N123 V171 L173V41-V121 HydrophobicContact CG1-CG2 4.01Å; L42-V121 WeakPolarHBondContact O-CB 3.45Å; L42-V121 PolarHBondContact O-N 3.09Å; I43-V121 HydrophobicContact CB-CB 4.39Å; I43-V121 HydrophobicContact CG1-CB 4.06Å; I43-V121 HydrophobicContact CG1-CG2 4.12Å; I43-V121 HydrophobicContact CG2-CB 4.34Å; I43-V121 HydrophobicContact CG2-CG1 4.39Å; T44-V121 PolarHBondContact N-O 3.36Å; T44-V121 PolarHBondContact OG1-O 3.2Å; L54-V121 HydrophobicContact CD1-CG1 3.98Å; F58-V121 HydrophobicContact CE2-CG2 3.86Å; F58-V121 HydrophobicContact CZ-CG2 4.2Å; I119-V121 HydrophobicContact CG2-CG2 3.97Å; V121-N123 HydrophobicContact CG1-CB 4.24Å; V121-N123 PolarHBondContact O-N 2.92Å; V121-N123 VanDerWaalsContact O-N 3.13Å; V121-V171 HydrophobicContact CB-CB 4.35Å; V121-V171 HydrophobicContact CG1-CB 4.16Å; V121-V171 HydrophobicContact CG1-CG1 4.23Å; V121-V171 HydrophobicContact CG2-CB 4.14Å; V121-V171 HydrophobicContact CG2-CG2 4.24Å; V121-L173 HydrophobicContact CG1-CD2 3.4Å
122N98.8Very high95.8Very high3 Ų338.7 Ų38.72%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-7791.5172.5-77.3-38.2000110.3Q151 T154 V171 L173N122-Q151 HydrophobicContact CB-CG 3.98Å; N122-T154 PolarHBondContact ND2-OG1 3.24Å; N122-T154 PolarHBondContact OD1-OG1 2.93Å; N122-V171 WeakPolarHBondContact CB-O 3.33Å; N122-V171 PolarHBondContact N-O 3.1Å; N122-L173 PolarHBondContact O-N 2.94Å
123N98.6Very high95.6Very high21 Ų2140 Ų4011%0.11222%0.217CC..  trans-118-23.5-177.2159.590.4000114.7I43 T44 G45 G51 L54 V121 A125 L173I43-N123 HydrophobicContact CG2-CB 4.49Å; T44-N123 CarbonylContact O-C 3.42Å; T44-N123 VanDerWaalsContact O-CB 3.26Å; T44-N123 WeakPolarHBondContact O-CB 3.44Å; T44-N123 PolarHBondContact O-ND2 3.46Å; T44-N123 PolarHBondContact OG1-N 3Å; G45-N123 PolarHBondContact O-ND2 3.3Å; G51-N123 WeakPolarHBondContact CA-ND2 3.25Å; L54-N123 HydrophobicContact CD1-CB 4.33Å; V121-N123 HydrophobicContact CG1-CB 4.24Å; V121-N123 PolarHBondContact O-N 2.92Å; V121-N123 VanDerWaalsContact O-N 3.13Å; N123-A125 PolarHBondContact O-N 3.28Å; N123-L173 HydrophobicContact CB-CB 4.02Å; N123-L173 HydrophobicContact CB-CD2 4.11Å; N123-L173 HydrophobicContact CB-CG 3.96Å
124A97.3Very high95.4Very high16 Ų1637.7 Ų37.713%0.13221%0.212CC..  trans-54.5129.8177.300000111.2T44 V97T44-A124 PolarHBondContact O-N 3.24Å; T44-A124 VanDerWaalsContact O-N 3.15Å; T44-A124 PolarHBondContact OG1-N 3.3Å; V97-A124 HydrophobicContact CG2-CB 3.64Å
125A96.2Very high95.1Very high20 Ų2037.9 Ų37.917%0.16521%0.213CC..  trans-154159.717700000112N123 N147 Y188 M226N123-A125 PolarHBondContact O-N 3.28Å; A125-N147 WeakPolarHBondContact CA-OD1 3.42Å; A125-N147 WeakPolarHBondContact CB-OD1 3.48Å; A125-Y188 HydrophobicContact CB-CE2 4.47Å; A125-M226 HydrophobicContact CB-CE 4.12Å; A125-M226 WeakPolarHBondContact O-CE 3.08Å
126V94.8Very high94.9Very high33 Ų3341 Ų4120%0.222%0.224CC..  trans-135.9154.8172-63.50000110.4I146 N147 Y188V126-I146 HydrophobicContact CG1-CD1 3.77Å; V126-I146 HydrophobicContact CG1-CG2 4.36Å; V126-I146 HydrophobicContact CG2-CB 4.16Å; V126-I146 HydrophobicContact CG2-CD1 3.94Å; V126-I146 HydrophobicContact CG2-CG2 4.38Å; V126-N147 PolarHBondContact N-OD1 3.15Å; V126-N147 PolarHBondContact O-ND2 3.39Å; V126-N147 PolarHBondContact O-OD1 2.97Å; V126-Y188 WeakPolarHBondContact O-CD2 3.34Å
127V92.9Very high94.8Very high23 Ų2344.5 Ų44.514%0.13924%0.243CC..  trans-137.8131.9172.148.40000108.1Y188 M226 F227 M295 F298V127-Y188 HydrophobicContact CB-CD2 3.71Å; V127-Y188 HydrophobicContact CB-CE2 4.45Å; V127-Y188 HydrophobicContact CB-CG 4.12Å; V127-Y188 HydrophobicContact CG2-CD2 4.36Å; V127-Y188 HydrophobicContact CG2-CG 4.26Å; V127-M226 HydrophobicContact CG1-CG 3.51Å; V127-M226 HydrophobicContact CG1-SD 4.13Å; V127-F227 HydrophobicContact CG1-CE1 4.42Å; V127-F227 HydrophobicContact CG1-CZ 4.28Å; V127-M295 HydrophobicContact CG2-CE 4.45Å; V127-F298 HydrophobicContact CG1-CE2 4.29Å; V127-F298 HydrophobicContact CG1-CZ 3.89Å; V127-F298 HydrophobicContact CG2-CZ 4.27Å
128H90.1Very high94.6Very high54 Ų5449.9 Ų49.925%0.2527%0.272CS..  trans-83.7-39.7177.8-172.349.8000112.2K130 A139 D187H128-K130 WeakPolarHBondContact NE2-CD 3.5Å; H128-K130 WeakPolarHBondContact NE2-CE 3.5Å; H128-K130 PolarHBondContact NE2-NZ 3.08Å; H128-A139 HydrophobicContact CB-CB 4.45Å; H128-D187 WeakPolarHBondContact CB-OD2 3.4Å; H128-D187 PolarHBondContact N-OD2 3.42Å
129G88.4Confident94.2Very high14 Ų1450.2 Ų50.214%0.14428%0.276CS..  trans81.726.8171.400000115.3G184G129-G184 CarbonylContact C-O 3.53Å; G129-G184 WeakPolarHBondContact CA-O 3.43Å
130K89.3Confident94Very high92 Ų9251.8 Ų51.840%0.428%0.284SS..  trans-119.7166.8178.9-65-165.5-167.8165.80112.6H128 D134 G184H128-K130 WeakPolarHBondContact NE2-CD 3.5Å; H128-K130 WeakPolarHBondContact NE2-CE 3.5Å; H128-K130 PolarHBondContact NE2-NZ 3.08Å; K130-D134 HydrophobicContact CB-CB 4.39Å; K130-D134 HydrophobicContact CD-CB 4.22Å; K130-D134 WeakPolarHBondContact CD-O 3.24Å; K130-D134 PolarHBondContact NZ-O 3.01Å; K130-G184 PolarHBondContact N-O 2.65Å; K130-G184 CarbonylContact O-C 3.51Å
131S91Very high93.9Very high45 Ų4556.4 Ų56.432%0.31531%0.308SS..  trans-66.5162.6167.887.40000110.2M133 D134 S135S131-M133 VanDerWaalsContact C-N 3.27Å; S131-M133 PolarHBondContact O-N 3.41Å; S131-M133 PolarHBondContact OG-N 3.15Å; S131-D134 WeakPolarHBondContact CB-OD2 3.28Å; S131-D134 PolarHBondContact O-N 3.28Å; S131-D134 PolarHBondContact OG-N 2.83Å; S131-D134 VanDerWaalsContact OG-N 3.15Å; S131-D134 PolarHBondContact OG-OD2 2.72Å; S131-S135 WeakPolarHBondContact O-CB 3.3Å; S131-S135 PolarHBondContact O-N 2.98Å; S131-S135 PolarHBondContact O-OG 2.85Å
132L92.2Very high93.7Very high98 Ų9861.3 Ų61.351%0.51333%0.329SS..THydrogen-bonded Turntrans-58.4-42.1176-179.459.8000111.7D134 S135 L140 I186L132-D134 VanDerWaalsContact C-N 3.33Å; L132-D134 PolarHBondContact O-N 2.68Å; L132-S135 PolarHBondContact O-N 2.79Å; L132-L140 HydrophobicContact CD1-CD1 3.98Å; L132-I186 HydrophobicContact CB-CD1 4.03Å; L132-I186 HydrophobicContact CB-CG2 4.36Å; L132-I186 HydrophobicContact CD1-CD1 4.38Å; L132-I186 HydrophobicContact CD2-CD1 4.28Å; L132-I186 HydrophobicContact CG-CD1 4.47Å
133M93.8Very high93.6Very high166 Ų16661.3 Ų61.382%0.81833%0.33SS*.THydrogen-bonded Turntrans-72.9-25.9-176.3-60.3-51.8-57.100113.3S131S131-M133 VanDerWaalsContact C-N 3.27Å; S131-M133 PolarHBondContact O-N 3.41Å; S131-M133 PolarHBondContact OG-N 3.15Å
134D92.4Very high93.5Very high108 Ų10862.8 Ų62.858%0.57834%0.336SS*.THydrogen-bonded Turntrans-97.2-4.6180-53.7-49.8000112.9K130 S131 L132K130-D134 HydrophobicContact CB-CB 4.39Å; K130-D134 HydrophobicContact CD-CB 4.22Å; K130-D134 WeakPolarHBondContact CD-O 3.24Å; K130-D134 PolarHBondContact NZ-O 3.01Å; S131-D134 WeakPolarHBondContact CB-OD2 3.28Å; S131-D134 PolarHBondContact O-N 3.28Å; S131-D134 PolarHBondContact OG-N 2.83Å; S131-D134 VanDerWaalsContact OG-N 3.15Å; S131-D134 PolarHBondContact OG-OD2 2.72Å; L132-D134 VanDerWaalsContact C-N 3.33Å; L132-D134 PolarHBondContact O-N 2.68Å
135S91.8Very high93.5Very high15 Ų1565.7 Ų65.711%0.10535%0.347CS..SBendtrans-80.4140179.8-67.80000110.5S131 L132S131-S135 WeakPolarHBondContact O-CB 3.3Å; S131-S135 PolarHBondContact O-N 2.98Å; S131-S135 PolarHBondContact O-OG 2.85Å; L132-S135 PolarHBondContact O-N 2.79Å
136D92.6Very high93.6Very high88 Ų8865.2 Ų65.247%0.47134%0.341SS..  trans-78.7137.2168.4179.4-79.5000109.6D138 A139 L140D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 2.77Å; D136-D138 WeakPolarHBondContact OD1-CA 3.47Å; D136-D138 VanDerWaalsContact OD1-CB 3.25Å; D136-D138 WeakPolarHBondContact OD1-CB 3.43Å; D136-D138 PolarHBondContact OD1-N 2.88Å; D136-A139 HydrophobicContact CB-CB 4.15Å; D136-A139 WeakPolarHBondContact O-CA 3.44Å; D136-A139 WeakPolarHBondContact O-CB 3.4Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 2.97Å; D136-L140 PolarHBondContact O-N 3.1Å
137D95.7Very high93.8Very high121 Ų12163.6 Ų63.665%0.64733%0.332SS*.Hα-helixtrans-59.5-38.4-177.3-74.2-20.2000112.3A139 L140 L141D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.8Å; D137-L140 WeakPolarHBondContact O-CB 3.16Å; D137-L140 PolarHBondContact O-N 3.33Å; D137-L141 WeakPolarHBondContact O-CG 3.31Å; D137-L141 PolarHBondContact O-N 3.21Å
138D95.3Very high94Very high120 Ų12062.7 Ų62.764%0.64233%0.326SS*.Hα-helixtrans-67-34.5177-69.5-31.9000111D136 K142D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 2.77Å; D136-D138 WeakPolarHBondContact OD1-CA 3.47Å; D136-D138 VanDerWaalsContact OD1-CB 3.25Å; D136-D138 WeakPolarHBondContact OD1-CB 3.43Å; D136-D138 PolarHBondContact OD1-N 2.88Å; D138-K142 WeakPolarHBondContact O-CB 3.29Å; D138-K142 PolarHBondContact O-N 2.83Å
139A90.8Very high94.4Very high18 Ų1862.6 Ų62.615%0.14933%0.327CS..Hα-helixtrans-66.5-41.6173.700000111.8H128 D136 D137 K142 S143H128-A139 HydrophobicContact CB-CB 4.45Å; D136-A139 HydrophobicContact CB-CB 4.15Å; D136-A139 WeakPolarHBondContact O-CA 3.44Å; D136-A139 WeakPolarHBondContact O-CB 3.4Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 2.97Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.8Å; A139-K142 PolarHBondContact O-N 3.33Å; A139-S143 PolarHBondContact O-N 3.1Å; A139-S143 VanDerWaalsContact O-N 3.12Å; A139-S143 PolarHBondContact O-OG 3.03Å
140L94.8Very high94.8Very high32 Ų3262 Ų6217%0.16832%0.321CS..Hα-helixtrans-60.3-49.4174.4-64.2179.3000111L132 D136 D137 K142 S143 Q144 I186 D187L132-L140 HydrophobicContact CD1-CD1 3.98Å; D136-L140 PolarHBondContact O-N 3.1Å; D137-L140 WeakPolarHBondContact O-CB 3.16Å; D137-L140 PolarHBondContact O-N 3.33Å; L140-K142 PolarHBondContact O-N 2.95Å; L140-S143 PolarHBondContact O-N 3.23Å; L140-Q144 PolarHBondContact O-N 2.93Å; L140-I186 HydrophobicContact CD2-CG2 4.47Å; L140-D187 HydrophobicContact CD2-CB 3.76Å
141L95.9Very high95.2Very high97 Ų9757.8 Ų57.851%0.50830%0.303SS..Hα-helixtrans-62.3-42.3178.6-71.1173.7000111.8D137 S143 Q144 H145D137-L141 WeakPolarHBondContact O-CG 3.31Å; D137-L141 PolarHBondContact O-N 3.21Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.09Å; L141-Q144 PolarHBondContact O-N 3.14Å; L141-Q144 VanDerWaalsContact O-N 3.11Å; L141-H145 PolarHBondContact O-CD2 3.34Å; L141-H145 VanDerWaalsContact O-CD2 3.24Å; L141-H145 PolarHBondContact O-N 3.12Å
142K95.6Very high95.6Very high103 Ų10359 Ų5945%0.44830%0.303SS..Hα-helixtrans-59.7-41.4177.7-174.8177.4-168.61700112.4D138 A139 L140 Q144 H145 I146D138-K142 WeakPolarHBondContact O-CB 3.29Å; D138-K142 PolarHBondContact O-N 2.83Å; A139-K142 PolarHBondContact O-N 3.33Å; L140-K142 PolarHBondContact O-N 2.95Å; K142-Q144 VanDerWaalsContact C-N 3.34Å; K142-Q144 PolarHBondContact O-N 2.77Å; K142-H145 PolarHBondContact O-N 2.87Å; K142-I146 HydrophobicContact CG-CD1 3.84Å; K142-I146 WeakPolarHBondContact O-CG1 3.4Å; K142-I146 PolarHBondContact O-N 2.82Å
143S95.8Very high95.9Very high3 Ų355.9 Ų55.92%0.02128%0.284CS..Hα-helixtrans-61.3-41.9174.5-73.90000111.7A139 L140 L141 N147 D187A139-S143 PolarHBondContact O-N 3.1Å; A139-S143 VanDerWaalsContact O-N 3.12Å; A139-S143 PolarHBondContact O-OG 3.03Å; L140-S143 PolarHBondContact O-N 3.23Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.09Å; S143-N147 WeakPolarHBondContact O-CB 3.49Å; S143-N147 VanDerWaalsContact O-CG 3.26Å; S143-N147 PolarHBondContact O-N 2.83Å; S143-D187 WeakPolarHBondContact CB-OD2 3.48Å; S143-D187 PolarHBondContact OG-OD2 3.17Å
144Q97.5Very high96.2Very high52 Ų5248 Ų4824%0.24325%0.245CC..Hα-helixtrans-66.2-42.8174.9-58.1-52.7-39.700112.3L140 L141 K142 I146 T148 L149 D187 T190L140-Q144 PolarHBondContact O-N 2.93Å; L141-Q144 PolarHBondContact O-N 3.14Å; L141-Q144 VanDerWaalsContact O-N 3.11Å; K142-Q144 VanDerWaalsContact C-N 3.34Å; K142-Q144 PolarHBondContact O-N 2.77Å; Q144-I146 PolarHBondContact O-N 2.75Å; Q144-T148 WeakPolarHBondContact O-CA 3.35Å; Q144-T148 WeakPolarHBondContact O-CB 3.34Å; Q144-T148 PolarHBondContact O-N 3.37Å; Q144-L149 PolarHBondContact O-N 2.74Å; Q144-D187 PolarHBondContact NE2-O 2.96Å; Q144-T190 PolarHBondContact NE2-OG1 3.11Å
145H97.6Very high96.5Very high77 Ų7743.1 Ų43.136%0.35622%0.219SC..Iπ-helixtrans-61.4-47.4-179.9-82.2-142.5000111.7L141 K142 L149 G150L141-H145 PolarHBondContact O-CD2 3.34Å; L141-H145 VanDerWaalsContact O-CD2 3.24Å; L141-H145 PolarHBondContact O-N 3.12Å; K142-H145 PolarHBondContact O-N 2.87Å; H145-L149 CarbonylContact O-C 2.97Å; H145-L149 PolarHBondContact O-N 3.13Å; H145-G150 PolarHBondContact O-N 3.45Å
146I97.6Very high96.8Very high10 Ų1049.2 Ų49.25%0.05124%0.244CC..Iπ-helixtrans-76.9-51.3-176.3-66.8172.4000111.2V97 V126 K142 Q144V97-I146 HydrophobicContact CG2-CG2 3.94Å; V126-I146 HydrophobicContact CG1-CD1 3.77Å; V126-I146 HydrophobicContact CG1-CG2 4.36Å; V126-I146 HydrophobicContact CG2-CB 4.16Å; V126-I146 HydrophobicContact CG2-CD1 3.94Å; V126-I146 HydrophobicContact CG2-CG2 4.38Å; K142-I146 HydrophobicContact CG-CD1 3.84Å; K142-I146 WeakPolarHBondContact O-CG1 3.4Å; K142-I146 PolarHBondContact O-N 2.82Å; Q144-I146 PolarHBondContact O-N 2.75Å
147N98.1Very high97.1Very high0 Ų045.5 Ų45.50%023%0.226CC..Iπ-helixtrans-79.4-24.9-169.4-59.3-3.8000112.7A125 V126 S143 S191A125-N147 WeakPolarHBondContact CA-OD1 3.42Å; A125-N147 WeakPolarHBondContact CB-OD1 3.48Å; V126-N147 PolarHBondContact N-OD1 3.15Å; V126-N147 PolarHBondContact O-ND2 3.39Å; V126-N147 PolarHBondContact O-OD1 2.97Å; S143-N147 WeakPolarHBondContact O-CB 3.49Å; S143-N147 VanDerWaalsContact O-CG 3.26Å; S143-N147 PolarHBondContact O-N 2.83Å; N147-S191 WeakPolarHBondContact CB-OG 3.34Å; N147-S191 PolarHBondContact ND2-OG 3.03Å
148T97.3Very high97.2Very high4 Ų440.1 Ų40.13%0.02520%0.196CC..Iπ-helixtrans-113.6-67.5-176.8-48.60000111.2Q144 G150 Q151 F152 S191 S194Q144-T148 WeakPolarHBondContact O-CA 3.35Å; Q144-T148 WeakPolarHBondContact O-CB 3.34Å; Q144-T148 PolarHBondContact O-N 3.37Å; T148-G150 VanDerWaalsContact C-N 3.31Å; T148-G150 PolarHBondContact O-N 3.06Å; T148-Q151 VanDerWaalsContact O-CB 3.31Å; T148-Q151 WeakPolarHBondContact O-CB 3.32Å; T148-Q151 PolarHBondContact O-N 3.23Å; T148-F152 HydrophobicContact CG2-CE1 4.29Å; T148-F152 HydrophobicContact CG2-CZ 4.12Å; T148-F152 PolarHBondContact O-N 3.37Å; T148-S191 WeakPolarHBondContact OG1-CA 3.04Å; T148-S191 WeakPolarHBondContact OG1-CB 3.13Å; T148-S191 PolarHBondContact OG1-O 3.15Å; T148-S194 WeakPolarHBondContact CG2-OG 3.31Å
149L98.4Very high97.4Very high51 Ų5135.5 Ų35.527%0.26717%0.171SC..Iπ-helixtrans-67.2-32.8-170-57.9-178000112.5Q144 H145 Q151 F152 W153Q144-L149 PolarHBondContact O-N 2.74Å; H145-L149 CarbonylContact O-C 2.97Å; H145-L149 PolarHBondContact O-N 3.13Å; L149-Q151 PolarHBondContact O-N 3.39Å; L149-F152 HydrophobicContact CD2-CD2 3.88Å; L149-F152 HydrophobicContact CD2-CE2 3.94Å; L149-F152 WeakPolarHBondContact O-CA 3.38Å; L149-F152 WeakPolarHBondContact O-CB 3.21Å; L149-F152 PolarHBondContact O-N 3.17Å; L149-W153 HydrophobicContact CB-CD2 4.39Å; L149-W153 HydrophobicContact CB-CH2 3.57Å; L149-W153 HydrophobicContact CB-CZ2 3.42Å; L149-W153 VanDerWaalsContact CB-CZ2 3.42Å; L149-W153 HydrophobicContact CB-CZ3 4.11Å; L149-W153 HydrophobicContact CD1-CH2 4.19Å; L149-W153 HydrophobicContact CD1-CZ2 3.9Å; L149-W153 HydrophobicContact CG-CZ2 4.28Å; L149-W153 VanDerWaalsContact O-CD2 3.23Å; L149-W153 PolarHBondContact O-N 2.81Å
150G98.4Very high97.8Very high2 Ų237.8 Ų37.82%0.02119%0.185CC..Hα-helixtrans-55.4-34.7171.800000112.6V97 H145 T148 T154V97-G150 WeakPolarHBondContact O-CA 3.3Å; H145-G150 PolarHBondContact O-N 3.45Å; T148-G150 VanDerWaalsContact C-N 3.31Å; T148-G150 PolarHBondContact O-N 3.06Å; G150-T154 WeakPolarHBondContact O-CB 3.3Å; G150-T154 VanDerWaalsContact O-CG2 3.25Å; G150-T154 WeakPolarHBondContact O-CG2 3.24Å; G150-T154 PolarHBondContact O-N 3.4Å; G150-T154 PolarHBondContact O-OG1 2.85Å
151Q97.8Very high97.9Very high4 Ų439.9 Ų39.92%0.01919%0.191CC..Hα-helixtrans-70.6-35.3174.5-54-161.5-22.100112N122 T148 L149 T154 T155 C172 F198N122-Q151 HydrophobicContact CB-CG 3.98Å; T148-Q151 VanDerWaalsContact O-CB 3.31Å; T148-Q151 WeakPolarHBondContact O-CB 3.32Å; T148-Q151 PolarHBondContact O-N 3.23Å; L149-Q151 PolarHBondContact O-N 3.39Å; Q151-T154 WeakPolarHBondContact CA-OG1 3.21Å; Q151-T154 PolarHBondContact O-OG1 3.41Å; Q151-T155 WeakPolarHBondContact O-CB 3.41Å; Q151-T155 PolarHBondContact O-N 2.85Å; Q151-T155 PolarHBondContact O-OG1 3.14Å; Q151-C172 PolarHBondContact NE2-SG 3.37Å; Q151-C172 PolarHBondContact OE1-SG 3.45Å; Q151-C172 VanDerWaalsContact OE1-SG 3.38Å; Q151-F198 HydrophobicContact CB-CD1 4.46Å; Q151-F198 HydrophobicContact CB-CE1 4.22Å
152F98.6Very high98.1Very high70 Ų7035.3 Ų35.331%0.30717%0.167SC..Hα-helixtrans-64.5-47.6175-64.1-1.3000110.3T148 L149 T155 K156 F198T148-F152 HydrophobicContact CG2-CE1 4.29Å; T148-F152 HydrophobicContact CG2-CZ 4.12Å; T148-F152 PolarHBondContact O-N 3.37Å; L149-F152 HydrophobicContact CD2-CD2 3.88Å; L149-F152 HydrophobicContact CD2-CE2 3.94Å; L149-F152 WeakPolarHBondContact O-CA 3.38Å; L149-F152 WeakPolarHBondContact O-CB 3.21Å; L149-F152 PolarHBondContact O-N 3.17Å; F152-T155 PolarHBondContact O-N 3.39Å; F152-K156 VanDerWaalsContact O-CB 3.3Å; F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 VanDerWaalsContact O-CG 3.25Å; F152-K156 WeakPolarHBondContact O-CG 3.35Å; F152-K156 PolarHBondContact O-N 3.49Å; F152-F198 HydrophobicContact CD1-CD1 4.2Å; F152-F198 AromaticContact CD1-CD2 3.53Å; F152-F198 HydrophobicContact CD1-CD2 3.53Å; F152-F198 HydrophobicContact CD1-CE1 4.26Å; F152-F198 AromaticContact CD1-CE2 3.59Å; F152-F198 HydrophobicContact CD1-CE2 3.59Å; F152-F198 AromaticContact CD1-CG 3.85Å; F152-F198 HydrophobicContact CD1-CG 3.85Å; F152-F198 AromaticContact CD1-CZ 3.97Å; F152-F198 HydrophobicContact CD1-CZ 3.97Å; F152-F198 HydrophobicContact CE1-CB 3.7Å; F152-F198 HydrophobicContact CE1-CD1 4.09Å; F152-F198 AromaticContact CE1-CD2 3.24Å; F152-F198 HydrophobicContact CE1-CD2 3.24Å; F152-F198 AromaticContact CE1-CE2 3.84Å; F152-F198 HydrophobicContact CE1-CE2 3.84Å; F152-F198 AromaticContact CE1-CG 3.39Å; F152-F198 HydrophobicContact CE1-CG 3.39Å; F152-F198 HydrophobicContact CE1-CZ 4.46Å; F152-F198 HydrophobicContact CZ-CB 4.47Å; F152-F198 HydrophobicContact CZ-CD2 4.2Å; F152-F198 HydrophobicContact CZ-CG 4.48Å
153W98.9Very high98.2Very high32 Ų3233.6 Ų33.612%0.12116%0.162CC..Hα-helixtrans-68.7-44.8-175.3-53.4-34.4000112.2V97 G98 R100 V103 L149 K156 A157V97-W153 VanDerWaalsContact O-CE3 3.22Å; V97-W153 WeakPolarHBondContact O-CZ3 3.41Å; G98-W153 VanDerWaalsContact C-CZ3 3.45Å; G98-W153 WeakPolarHBondContact O-CZ3 3.48Å; R100-W153 HydrophobicContact CB-CD2 3.78Å; R100-W153 HydrophobicContact CB-CE3 4.08Å; R100-W153 HydrophobicContact CB-CG 4.29Å; R100-W153 HydrophobicContact CB-CH2 4.22Å; R100-W153 HydrophobicContact CB-CZ2 3.9Å; R100-W153 HydrophobicContact CB-CZ3 4.32Å; R100-W153 HydrophobicContact CG-CD2 3.98Å; R100-W153 HydrophobicContact CG-CG 3.97Å; R100-W153 HydrophobicContact CG-CZ2 4.5Å; V103-W153 HydrophobicContact CB-CB 4.23Å; V103-W153 HydrophobicContact CG1-CB 3.76Å; V103-W153 HydrophobicContact CG2-CE3 4.43Å; L149-W153 HydrophobicContact CB-CD2 4.39Å; L149-W153 HydrophobicContact CB-CH2 3.57Å; L149-W153 HydrophobicContact CB-CZ2 3.42Å; L149-W153 VanDerWaalsContact CB-CZ2 3.42Å; L149-W153 HydrophobicContact CB-CZ3 4.11Å; L149-W153 HydrophobicContact CD1-CH2 4.19Å; L149-W153 HydrophobicContact CD1-CZ2 3.9Å; L149-W153 HydrophobicContact CG-CZ2 4.28Å; L149-W153 VanDerWaalsContact O-CD2 3.23Å; L149-W153 PolarHBondContact O-N 2.81Å; W153-K156 PolarHBondContact O-N 2.91Å; W153-A157 WeakPolarHBondContact O-CB 3.47Å; W153-A157 PolarHBondContact O-N 3.23Å
154T98.9Very high98.3Very high0 Ų039.8 Ų39.80%019%0.19CC..Hα-helixtrans-63.3-45.7175.451.90000111.3T44 W69 V103 N122 G150 Q151 K156 A157 F158T44-T154 HydrophobicContact CG2-CG2 4.26Å; W69-T154 HydrophobicContact CZ3-CG2 4.06Å; V103-T154 HydrophobicContact CG1-CG2 3.93Å; V103-T154 HydrophobicContact CG2-CG2 4.49Å; N122-T154 PolarHBondContact ND2-OG1 3.24Å; N122-T154 PolarHBondContact OD1-OG1 2.93Å; G150-T154 WeakPolarHBondContact O-CB 3.3Å; G150-T154 VanDerWaalsContact O-CG2 3.25Å; G150-T154 WeakPolarHBondContact O-CG2 3.24Å; G150-T154 PolarHBondContact O-N 3.4Å; G150-T154 PolarHBondContact O-OG1 2.85Å; Q151-T154 WeakPolarHBondContact CA-OG1 3.21Å; Q151-T154 PolarHBondContact O-OG1 3.41Å; T154-K156 PolarHBondContact O-N 3.45Å; T154-A157 WeakPolarHBondContact O-CB 3.39Å; T154-A157 PolarHBondContact O-N 3.34Å; T154-A157 VanDerWaalsContact O-N 3.11Å; T154-F158 WeakPolarHBondContact O-CD2 3.12Å; T154-F158 PolarHBondContact O-N 3.12Å; T154-F158 VanDerWaalsContact O-N 3.14Å
155T98.8Very high98.4Very high6 Ų640.8 Ų40.84%0.03720%0.197CC..Hα-helixtrans-60.9-45.2176.5-55.40000110.8Q151 F152 A157 F158 L159 I170 F198 L202Q151-T155 WeakPolarHBondContact O-CB 3.41Å; Q151-T155 PolarHBondContact O-N 2.85Å; Q151-T155 PolarHBondContact O-OG1 3.14Å; F152-T155 PolarHBondContact O-N 3.39Å; T155-A157 VanDerWaalsContact C-N 3.26Å; T155-A157 PolarHBondContact O-N 3.48Å; T155-F158 PolarHBondContact O-N 3.05Å; T155-L159 HydrophobicContact CG2-CB 3.95Å; T155-L159 HydrophobicContact CG2-CD2 3.87Å; T155-L159 HydrophobicContact CG2-CG 4.49Å; T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 PolarHBondContact O-N 3.11Å; T155-I170 HydrophobicContact CG2-CD1 4.47Å; T155-F198 HydrophobicContact CG2-CZ 4.11Å; T155-L202 HydrophobicContact CG2-CD2 4.06Å
156K98.6Very high98.4Very high144 Ų14442.9 Ų42.963%0.62621%0.207SC*.Hα-helixtrans-61.2-31.9175.2-76.8-176.868.2164.80113.4Y104 F152 W153 T154 P160Y104-K156 HydrophobicContact CE1-CB 4.39Å; F152-K156 VanDerWaalsContact O-CB 3.3Å; F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 VanDerWaalsContact O-CG 3.25Å; F152-K156 WeakPolarHBondContact O-CG 3.35Å; F152-K156 PolarHBondContact O-N 3.49Å; W153-K156 PolarHBondContact O-N 2.91Å; T154-K156 PolarHBondContact O-N 3.45Å; K156-P160 VanDerWaalsContact O-CD 3.27Å; K156-P160 WeakPolarHBondContact O-CD 3.3Å; K156-P160 WeakPolarHBondContact O-CG 3.34Å
157A98.8Very high98.4Very high10 Ų1044.7 Ų44.78%0.08322%0.217CC..Hα-helixtrans-74.9-32.2-179.300000113.3Y104 A107 R111 W153 T154 T155Y104-A157 HydrophobicContact CD1-CB 4Å; Y104-A157 HydrophobicContact CE1-CB 4.14Å; A107-A157 HydrophobicContact CB-CB 3.7Å; R111-A157 PolarHBondContact NH2-O 3.24Å; R111-A157 VanDerWaalsContact NH2-O 3.12Å; W153-A157 WeakPolarHBondContact O-CB 3.47Å; W153-A157 PolarHBondContact O-N 3.23Å; T154-A157 WeakPolarHBondContact O-CB 3.39Å; T154-A157 PolarHBondContact O-N 3.34Å; T154-A157 VanDerWaalsContact O-N 3.11Å; T155-A157 VanDerWaalsContact C-N 3.26Å; T155-A157 PolarHBondContact O-N 3.48Å
158F98.8Very high98.4Very high8 Ų844.7 Ų44.74%0.03522%0.217CC..Hα-helixtrans-112.5-33.4-171.3-62.1-67.6000114.5L42 W69 A107 V110 I117 L120 T154 T155 P160 R161 M162L42-F158 HydrophobicContact CD1-CE1 4.1Å; L42-F158 HydrophobicContact CD1-CE2 3.83Å; L42-F158 HydrophobicContact CD1-CZ 3.47Å; L42-F158 VanDerWaalsContact CD1-CZ 3.47Å; W69-F158 AromaticContact CH2-CE2 3.9Å; W69-F158 HydrophobicContact CH2-CE2 3.9Å; W69-F158 AromaticContact CH2-CZ 3.85Å; W69-F158 HydrophobicContact CH2-CZ 3.85Å; W69-F158 HydrophobicContact CZ2-CE2 4.19Å; W69-F158 AromaticContact CZ2-CZ 3.77Å; W69-F158 HydrophobicContact CZ2-CZ 3.77Å; A107-F158 HydrophobicContact CB-CE1 3.98Å; A107-F158 HydrophobicContact CB-CE2 4.18Å; A107-F158 HydrophobicContact CB-CZ 3.58Å; V110-F158 HydrophobicContact CG1-CE1 4.43Å; I117-F158 HydrophobicContact CB-CD1 3.91Å; I117-F158 HydrophobicContact CB-CE1 4.32Å; I117-F158 HydrophobicContact CB-CG 4.5Å; I117-F158 HydrophobicContact CG1-CD1 3.91Å; I117-F158 HydrophobicContact CG1-CE1 3.79Å; L120-F158 HydrophobicContact CD1-CD2 3.96Å; L120-F158 HydrophobicContact CD1-CE2 4.3Å; L120-F158 HydrophobicContact CD2-CB 4.46Å; L120-F158 HydrophobicContact CD2-CD2 4.07Å; T154-F158 WeakPolarHBondContact O-CD2 3.12Å; T154-F158 PolarHBondContact O-N 3.12Å; T154-F158 VanDerWaalsContact O-N 3.14Å; T155-F158 PolarHBondContact O-N 3.05Å; F158-P160 VanDerWaalsContact C-CD 3.5Å; F158-R161 PolarHBondContact O-N 3.16Å; F158-M162 HydrophobicContact CB-CE 4.18Å; F158-M162 PolarHBondContact O-N 3.41Å
159L98.8Very high98.5Very high22 Ų2244.5 Ų44.512%0.11522%0.216CC..Hα-helixtrans-59.3-41-176.6-178.163.3000114.4T155 R161 M162 L163 I170 L202 L206 V212T155-L159 HydrophobicContact CG2-CB 3.95Å; T155-L159 HydrophobicContact CG2-CD2 3.87Å; T155-L159 HydrophobicContact CG2-CG 4.49Å; T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 PolarHBondContact O-N 3.11Å; L159-R161 PolarHBondContact O-N 3.32Å; L159-M162 HydrophobicContact CD1-CB 4.48Å; L159-M162 WeakPolarHBondContact O-CB 3.38Å; L159-M162 PolarHBondContact O-N 3.09Å; L159-M162 VanDerWaalsContact O-N 3.1Å; L159-L163 HydrophobicContact CD1-CD1 4.38Å; L159-L163 HydrophobicContact CD1-CD2 4.45Å; L159-L163 HydrophobicContact CD1-CG 4.09Å; L159-L163 HydrophobicContact CD2-CD1 4.49Å; L159-L163 HydrophobicContact CG-CD1 3.95Å; L159-L163 HydrophobicContact CG-CG 4.16Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.46Å; L159-I170 HydrophobicContact CD1-CD1 4.46Å; L159-I170 HydrophobicContact CD1-CG1 4.31Å; L159-L202 HydrophobicContact CD2-CD1 3.8Å; L159-L206 HydrophobicContact CD1-CD2 4.26Å; L159-V212 HydrophobicContact CD1-CG1 3.79Å
160P98.6Very high98.5Very high66 Ų6642 Ų4243%0.42920%0.203SC..Hα-helixtrans-55.2-41.8-179.2-27.836.1000112.8K156 F158 L163 E164K156-P160 VanDerWaalsContact O-CD 3.27Å; K156-P160 WeakPolarHBondContact O-CD 3.3Å; K156-P160 WeakPolarHBondContact O-CG 3.34Å; F158-P160 VanDerWaalsContact C-CD 3.5Å; P160-L163 WeakPolarHBondContact O-CB 3.26Å; P160-L163 PolarHBondContact O-N 3.36Å; P160-E164 WeakPolarHBondContact O-CG 3.32Å; P160-E164 PolarHBondContact O-N 3.14Å
161R98.3Very high98.5Very high77 Ų7742 Ų4229%0.29120%0.202SC..Hα-helixtrans-72.5-36179.7-17454.9176.1163.76.8112.6D116 F158 L159 L163 E164 L165D116-R161 HydrophobicContact CB-CG 4.27Å; D116-R161 VanDerWaalsContact OD1-CG 3.31Å; D116-R161 WeakPolarHBondContact OD1-CG 3.43Å; D116-R161 IonicContact OD1-NE 2.75Å; D116-R161 PolarHBondContact OD1-NE 2.99Å; D116-R161 IonicContact OD2-CZ 3.57Å; D116-R161 IonicContact OD2-NE 2.79Å; D116-R161 PolarHBondContact OD2-NE 2.83Å; D116-R161 IonicContact OD2-NH2 3.14Å; D116-R161 PolarHBondContact OD2-NH2 3.44Å; D116-R161 VanDerWaalsContact OD2-NH2 3.08Å; F158-R161 PolarHBondContact O-N 3.16Å; L159-R161 PolarHBondContact O-N 3.32Å; R161-L163 VanDerWaalsContact C-N 3.28Å; R161-L163 PolarHBondContact O-N 3.33Å; R161-E164 WeakPolarHBondContact CD-OE2 3.46Å; R161-E164 IonicContact CZ-OE2 3.92Å; R161-E164 IonicContact NE-OE2 2.83Å; R161-E164 IonicContact NH1-OE2 2.71Å; R161-E164 PolarHBondContact NH1-OE2 2.87Å; R161-E164 PolarHBondContact O-N 3.32Å; R161-L165 HydrophobicContact CG-CD1 4.12Å; R161-L165 WeakPolarHBondContact O-CB 3.39Å; R161-L165 WeakPolarHBondContact O-CG 3.42Å; R161-L165 PolarHBondContact O-N 2.84Å
162M98.8Very high98.6Very high1 Ų141.8 Ų41.81%0.00520%0.201CC..Hα-helixtrans-59.6-40.5172.1-70.2175.7-177.900111.8I117 L120 F158 L159 Q166 N167 I170 V212I117-M162 HydrophobicContact CG2-CE 4.13Å; I117-M162 VanDerWaalsContact O-CE 3.23Å; I117-M162 WeakPolarHBondContact O-CE 3.5Å; L120-M162 HydrophobicContact CB-CE 3.95Å; F158-M162 HydrophobicContact CB-CE 4.18Å; F158-M162 PolarHBondContact O-N 3.41Å; L159-M162 HydrophobicContact CD1-CB 4.48Å; L159-M162 WeakPolarHBondContact O-CB 3.38Å; L159-M162 PolarHBondContact O-N 3.09Å; L159-M162 VanDerWaalsContact O-N 3.1Å; M162-Q166 WeakPolarHBondContact O-CA 3.34Å; M162-Q166 PolarHBondContact O-N 3.11Å; M162-N167 WeakPolarHBondContact CA-O 3.46Å; M162-N167 PolarHBondContact O-N 3.14Å; M162-I170 HydrophobicContact CE-CD1 4.03Å; M162-I170 HydrophobicContact SD-CD1 3.57Å; M162-I170 VanDerWaalsContact SD-CD1 3.57Å; M162-I170 HydrophobicContact SD-CG1 4.49Å; M162-V212 HydrophobicContact CB-CG2 4.3Å; M162-V212 WeakPolarHBondContact O-CG2 3.45Å
163L98.6Very high98.6Very high67 Ų6738.8 Ų38.835%0.35119%0.188SC..Hα-helixtrans-66.9-46.5176.8-67.6168.8000111.8L159 P160 R161 L165 Q166 L206 C209 V212L159-L163 HydrophobicContact CD1-CD1 4.38Å; L159-L163 HydrophobicContact CD1-CD2 4.45Å; L159-L163 HydrophobicContact CD1-CG 4.09Å; L159-L163 HydrophobicContact CD2-CD1 4.49Å; L159-L163 HydrophobicContact CG-CD1 3.95Å; L159-L163 HydrophobicContact CG-CG 4.16Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.46Å; P160-L163 WeakPolarHBondContact O-CB 3.26Å; P160-L163 PolarHBondContact O-N 3.36Å; R161-L163 VanDerWaalsContact C-N 3.28Å; R161-L163 PolarHBondContact O-N 3.33Å; L163-L165 VanDerWaalsContact C-N 3.26Å; L163-L165 PolarHBondContact O-N 3.26Å; L163-Q166 PolarHBondContact O-N 2.97Å; L163-Q166 VanDerWaalsContact O-N 3.16Å; L163-L206 HydrophobicContact CD2-CD2 3.93Å; L163-C209 HydrophobicContact CD2-CB 3.73Å; L163-V212 HydrophobicContact CD2-CB 4.25Å; L163-V212 HydrophobicContact CD2-CG1 4.35Å; L163-V212 HydrophobicContact CD2-CG2 4Å
164E98.3Very high98.5Very high132 Ų13237.4 Ų37.462%0.61718%0.183SC*.Hα-helixtrans-56.9-40.6175.9-73.5169.1-162.800112.4P160 R161 Q166P160-E164 WeakPolarHBondContact O-CG 3.32Å; P160-E164 PolarHBondContact O-N 3.14Å; R161-E164 WeakPolarHBondContact CD-OE2 3.46Å; R161-E164 IonicContact CZ-OE2 3.92Å; R161-E164 IonicContact NE-OE2 2.83Å; R161-E164 IonicContact NH1-OE2 2.71Å; R161-E164 PolarHBondContact NH1-OE2 2.87Å; R161-E164 PolarHBondContact O-N 3.32Å; E164-Q166 VanDerWaalsContact C-N 3.35Å
165L97.6Very high98.4Very high73 Ų7337.9 Ų37.938%0.38219%0.187SC..THydrogen-bonded Turntrans-85.3-8-178.7-69178.2000113.8D116 R161 L163 N167D116-L165 HydrophobicContact CB-CD1 3.96Å; D116-L165 WeakPolarHBondContact OD2-CD1 3.27Å; R161-L165 HydrophobicContact CG-CD1 4.12Å; R161-L165 WeakPolarHBondContact O-CB 3.39Å; R161-L165 WeakPolarHBondContact O-CG 3.42Å; R161-L165 PolarHBondContact O-N 2.84Å; L163-L165 VanDerWaalsContact C-N 3.26Å; L163-L165 PolarHBondContact O-N 3.26Å; L165-N167 HydrophobicContact CB-CB 4.41Å; L165-N167 PolarHBondContact O-N 3.34Å
166Q98.1Very high98.2Very high121 Ų12137.9 Ų37.957%0.56519%0.187SC*.THydrogen-bonded Turntrans49.138.9-169.6-61.4-177.9-30.900111.7M162 L163 E164 P210 G211M162-Q166 WeakPolarHBondContact O-CA 3.34Å; M162-Q166 PolarHBondContact O-N 3.11Å; L163-Q166 PolarHBondContact O-N 2.97Å; L163-Q166 VanDerWaalsContact O-N 3.16Å; E164-Q166 VanDerWaalsContact C-N 3.35Å; Q166-P210 WeakPolarHBondContact CB-O 3.42Å; Q166-G211 WeakPolarHBondContact O-CA 3.41Å
167N98.1Very high98Very high48 Ų4832.3 Ų32.326%0.25716%0.163SC..  trans-146.9102179.1-175.624.4000110.1R34 T118 M162 L165 G211R34-N167 PolarHBondContact NH2-OD1 3.39Å; T118-N167 VanDerWaalsContact CG2-ND2 3.28Å; T118-N167 WeakPolarHBondContact CG2-ND2 3.41Å; M162-N167 WeakPolarHBondContact CA-O 3.46Å; M162-N167 PolarHBondContact O-N 3.14Å; L165-N167 HydrophobicContact CB-CB 4.41Å; L165-N167 PolarHBondContact O-N 3.34Å; N167-G211 WeakPolarHBondContact CA-O 3.45Å
168G98.4Very high97.9Very high0 Ų032.6 Ų32.60%017%0.166CC..EExtended strand (participates in β ladder)trans-161.4151.9-178.100000114.6T118 G211 V212 S213T118-G168 CarbonylContact O-C 3.56Å; T118-G168 VanDerWaalsContact O-CA 3.24Å; T118-G168 WeakPolarHBondContact O-CA 3.46Å; G168-G211 PolarHBondContact N-O 3.27Å; G168-V212 WeakPolarHBondContact O-CA 3.24Å; G168-S213 PolarHBondContact O-N 2.91Å
169H98.9Very high97.6Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-145.7118.7169.3-151.6125.1000110.8T118 I119 L120 S213 T215 V254 N257T118-H169 PolarHBondContact O-N 3.42Å; I119-H169 CarbonylContact C-O 3.55Å; I119-H169 WeakPolarHBondContact CA-O 3.24Å; I119-H169 HydrophobicContact CB-CB 4.45Å; I119-H169 HydrophobicContact CG1-CB 4Å; I119-H169 HydrophobicContact CG2-CB 4.3Å; L120-H169 PolarHBondContact N-O 3.49Å; H169-S213 CarbonylContact C-O 3.54Å; H169-S213 VanDerWaalsContact CA-O 3.28Å; H169-S213 WeakPolarHBondContact CA-O 3.41Å; H169-T215 PolarHBondContact NE2-OG1 3.45Å; H169-V254 PolarHBondContact CE1-O 3.47Å; H169-N257 PolarHBondContact CE1-OD1 2.8Å
170I98.9Very high97.2Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-97.5122.9173.7-52.4-59.6000109.3L120 T155 L159 M162 M199 L202 S213 A214 T215L120-I170 HydrophobicContact CB-CD1 3.9Å; L120-I170 HydrophobicContact CD2-CD1 4.03Å; T155-I170 HydrophobicContact CG2-CD1 4.47Å; L159-I170 HydrophobicContact CD1-CD1 4.46Å; L159-I170 HydrophobicContact CD1-CG1 4.31Å; M162-I170 HydrophobicContact CE-CD1 4.03Å; M162-I170 HydrophobicContact SD-CD1 3.57Å; M162-I170 VanDerWaalsContact SD-CD1 3.57Å; M162-I170 HydrophobicContact SD-CG1 4.49Å; I170-M199 HydrophobicContact CG2-CE 4.17Å; I170-M199 HydrophobicContact CG2-SD 4.22Å; I170-L202 HydrophobicContact CB-CD2 4.28Å; I170-L202 HydrophobicContact CG1-CD2 4.32Å; I170-L202 HydrophobicContact CG2-CD2 4.05Å; I170-S213 PolarHBondContact N-O 3.19Å; I170-A214 HydrophobicContact CB-CB 4.45Å; I170-A214 CarbonylContact O-C 3.56Å; I170-A214 WeakPolarHBondContact O-CA 3.4Å; I170-T215 PolarHBondContact O-N 3.11Å
171V98.9Very high96.9Very high0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-115.5129.4179.3-171.30000109.1I119 L120 V121 N122 L173 T215 V217 T250 V254I119-V171 HydrophobicContact CG2-CG2 4.18Å; L120-V171 PolarHBondContact O-N 3.18Å; V121-V171 HydrophobicContact CB-CB 4.35Å; V121-V171 HydrophobicContact CG1-CB 4.16Å; V121-V171 HydrophobicContact CG1-CG1 4.23Å; V121-V171 HydrophobicContact CG2-CB 4.14Å; V121-V171 HydrophobicContact CG2-CG2 4.24Å; N122-V171 WeakPolarHBondContact CB-O 3.33Å; N122-V171 PolarHBondContact N-O 3.1Å; V171-L173 HydrophobicContact CG1-CD2 3.91Å; V171-T215 CarbonylContact C-O 3.5Å; V171-T215 VanDerWaalsContact CA-O 3.3Å; V171-T215 WeakPolarHBondContact CA-O 3.3Å; V171-V217 HydrophobicContact CG1-CG2 4.42Å; V171-T250 HydrophobicContact CG1-CG2 3.87Å; V171-V254 HydrophobicContact CG1-CG2 4.4Å; V171-V254 HydrophobicContact CG2-CG2 3.45Å; V171-V254 VanDerWaalsContact CG2-CG2 3.45Å
172C98.7Very high96.5Very high0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans-114.9113.9174.1176.60000110.1Q151 N174 M199 T215 T216 V217Q151-C172 PolarHBondContact NE2-SG 3.37Å; Q151-C172 PolarHBondContact OE1-SG 3.45Å; Q151-C172 VanDerWaalsContact OE1-SG 3.38Å; C172-N174 PolarHBondContact O-N 3.02Å; C172-N174 VanDerWaalsContact O-N 3.14Å; C172-M199 HydrophobicContact CB-CE 3.89Å; C172-M199 HydrophobicContact CB-CG 3.46Å; C172-M199 VanDerWaalsContact CB-CG 3.46Å; C172-M199 HydrophobicContact CB-SD 3.61Å; C172-T215 PolarHBondContact N-O 3.23Å; C172-T216 HydrophobicContact CB-CG2 4.49Å; C172-V217 PolarHBondContact O-N 2.91Å
173L98.4Very high96.1Very high7 Ų733 Ų334%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-8192168.6-78.3-67.2000107.8I50 L54 V121 N122 N123 V171 K192 V217 V246 T250I50-L173 HydrophobicContact CG2-CD1 4.12Å; I50-L173 HydrophobicContact CG2-CG 4.46Å; L54-L173 HydrophobicContact CD1-CD1 4.25Å; L54-L173 HydrophobicContact CD1-CD2 3.8Å; L54-L173 HydrophobicContact CD1-CG 3.87Å; V121-L173 HydrophobicContact CG1-CD2 3.4Å; N122-L173 PolarHBondContact O-N 2.94Å; N123-L173 HydrophobicContact CB-CB 4.02Å; N123-L173 HydrophobicContact CB-CD2 4.11Å; N123-L173 HydrophobicContact CB-CG 3.96Å; V171-L173 HydrophobicContact CG1-CD2 3.91Å; L173-K192 PolarHBondContact O-NZ 2.88Å; L173-V217 HydrophobicContact CD1-CB 4.08Å; L173-V217 HydrophobicContact CD1-CG1 4.25Å; L173-V217 HydrophobicContact CD1-CG2 4.45Å; L173-V246 HydrophobicContact CD1-CG1 4.23Å; L173-T250 HydrophobicContact CD1-CG2 4.41Å; L173-T250 HydrophobicContact CD2-CG2 4.29Å
174N97.4Very high95.6Very high4 Ų430.7 Ų30.72%0.02118%0.175CC..  trans-93.5-147.6-179.9-155.1-19.6000110.5C172 K192 F196 T216 V217 L218 P219C172-N174 PolarHBondContact O-N 3.02Å; C172-N174 VanDerWaalsContact O-N 3.14Å; N174-K192 PolarHBondContact ND2-O 3.49Å; N174-K192 VanDerWaalsContact ND2-O 3.07Å; N174-K192 VanDerWaalsContact OD1-CB 3.24Å; N174-K192 WeakPolarHBondContact OD1-CB 2.98Å; N174-K192 WeakPolarHBondContact OD1-CD 3.45Å; N174-K192 PolarHBondContact OD1-O 3.46Å; N174-F196 VanDerWaalsContact ND2-CA 3.28Å; N174-F196 WeakPolarHBondContact ND2-CA 2.88Å; N174-F196 VanDerWaalsContact ND2-CB 3.3Å; N174-F196 WeakPolarHBondContact ND2-CB 3.23Å; N174-F196 PolarHBondContact ND2-N 3.07Å; N174-T216 HydrophobicContact CB-CG2 4.04Å; N174-V217 CarbonylContact C-O 3.43Å; N174-V217 VanDerWaalsContact CA-O 3.24Å; N174-V217 WeakPolarHBondContact CA-O 3.5Å; N174-V217 VanDerWaalsContact CB-O 3.3Å; N174-V217 WeakPolarHBondContact CB-O 3.24Å; N174-V217 PolarHBondContact N-O 3.21Å; N174-L218 HydrophobicContact CB-CG 4.37Å; N174-P219 WeakPolarHBondContact O-CD 3.23Å
175S96.6Very high95.4Very high10 Ų1024.4 Ų24.47%0.0715%0.145CC..  trans-157.5152.4179.9-178.30000110.8L177 A178S175-L177 PolarHBondContact O-N 3.08Å; S175-L177 VanDerWaalsContact O-N 3.15Å; S175-L177 PolarHBondContact OG-N 3.02Å; S175-L177 VanDerWaalsContact OG-N 3.11Å; S175-A178 VanDerWaalsContact O-CB 3.25Å; S175-A178 WeakPolarHBondContact O-CB 3.42Å; S175-A178 PolarHBondContact O-N 2.85Å
176V94.7Very high95.2Very high6 Ų624 Ų244%0.03614%0.143CC..G310 helixtrans-56.1-24.8165.8175.90000111.6A178 L179 S180 L218 P219 F220 L262 M267 L270V176-A178 PolarHBondContact O-N 3.15Å; V176-L179 PolarHBondContact O-N 3.07Å; V176-S180 PolarHBondContact O-N 3.38Å; V176-L218 HydrophobicContact CG2-CB 4.43Å; V176-P219 PolarHBondContact N-O 3.15Å; V176-P219 VanDerWaalsContact N-O 3.15Å; V176-F220 HydrophobicContact CG2-CB 4.34Å; V176-L262 HydrophobicContact CG2-CD1 3.84Å; V176-M267 HydrophobicContact CG1-SD 4.22Å; V176-M267 HydrophobicContact CG2-CB 4.32Å; V176-M267 HydrophobicContact CG2-CG 3.99Å; V176-M267 HydrophobicContact CG2-SD 4.39Å; V176-L270 HydrophobicContact CG1-CD2 4.15Å
177L94.4Very high95Very high26 Ų2618.3 Ų18.314%0.13612%0.116CC..G310 helixtrans-65.8-14.1175.8-63.8-174.5000114.2S175 L179 S180 I182 Y188S175-L177 PolarHBondContact O-N 3.08Å; S175-L177 VanDerWaalsContact O-N 3.15Å; S175-L177 PolarHBondContact OG-N 3.02Å; S175-L177 VanDerWaalsContact OG-N 3.11Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L177-S180 VanDerWaalsContact CD2-O 3.23Å; L177-S180 WeakPolarHBondContact CD2-O 3.34Å; L177-I182 HydrophobicContact CD1-CD1 3.92Å; L177-I182 HydrophobicContact CD1-CG1 4.14Å; L177-I182 HydrophobicContact CD2-CB 4.43Å; L177-I182 HydrophobicContact CD2-CD1 3.98Å; L177-I182 HydrophobicContact CD2-CG1 3.85Å; L177-I182 HydrophobicContact CD2-CG2 3.87Å; L177-Y188 HydrophobicContact CB-CD1 4.25Å; L177-Y188 HydrophobicContact CB-CE1 4.24Å; L177-Y188 HydrophobicContact CD1-CD1 3.76Å; L177-Y188 HydrophobicContact CD1-CE1 3.89Å
178A95.8Very high94.9Very high16 Ų1616.7 Ų16.713%0.13211%0.107CC..G310 helixtrans-66.2-32167.100000112.2S175 V176 K192 F196S175-A178 VanDerWaalsContact O-CB 3.25Å; S175-A178 WeakPolarHBondContact O-CB 3.42Å; S175-A178 PolarHBondContact O-N 2.85Å; V176-A178 PolarHBondContact O-N 3.15Å; A178-K192 HydrophobicContact CB-CB 4.09Å; A178-K192 WeakPolarHBondContact CB-O 3.41Å; A178-F196 HydrophobicContact CB-CB 3.93Å; A178-F196 HydrophobicContact CB-CG 4.4Å
179L93Very high94.8Very high40 Ų4017 Ų1721%0.20911%0.109CC..THydrogen-bonded Turntrans-101-26.5-177.2-58.4-178.1000112.5V176 L177 F196 L218 V271 K274V176-L179 PolarHBondContact O-N 3.07Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L179-F196 HydrophobicContact CD2-CD1 3.94Å; L179-F196 HydrophobicContact CD2-CE1 3.66Å; L179-F196 HydrophobicContact CD2-CG 4.49Å; L179-F196 HydrophobicContact CD2-CZ 4.01Å; L179-L218 HydrophobicContact CD1-CD2 3.56Å; L179-L218 HydrophobicContact CG-CD2 3.72Å; L179-V271 HydrophobicContact CB-CG2 4.42Å; L179-V271 HydrophobicContact CD1-CG2 3.64Å; L179-K274 VanDerWaalsContact O-CD 3.24Å; L179-K274 WeakPolarHBondContact O-CD 3.43Å; L179-K274 WeakPolarHBondContact O-CE 3.18Å; L179-K274 PolarHBondContact O-NZ 3.21Å
180S90.8Very high94.7Very high12 Ų1220.3 Ų20.38%0.08413%0.129CC..SBendtrans-140.394-178-179.30000110.5V176 L177V176-S180 PolarHBondContact O-N 3.38Å; L177-S180 VanDerWaalsContact CD2-O 3.23Å; L177-S180 WeakPolarHBondContact CD2-O 3.34Å
181A91.9Very high94.7Very high57 Ų5720.3 Ų20.347%0.47113%0.129SC..  trans-69.4158.2-177.300000113C189A181-C189 HydrophobicContact CB-CB 3.91Å
182I90.8Very high94.6Very high16 Ų1620.5 Ų20.58%0.08213%0.13CC..  trans-132.8153.7176.359.6172.8000110.9L177 A185 C294 M295L177-I182 HydrophobicContact CD1-CD1 3.92Å; L177-I182 HydrophobicContact CD1-CG1 4.14Å; L177-I182 HydrophobicContact CD2-CB 4.43Å; L177-I182 HydrophobicContact CD2-CD1 3.98Å; L177-I182 HydrophobicContact CD2-CG1 3.85Å; L177-I182 HydrophobicContact CD2-CG2 3.87Å; I182-A185 HydrophobicContact CD1-CB 4.25Å; I182-A185 HydrophobicContact CG1-CB 4.01Å; I182-C294 VanDerWaalsContact CD1-SG 3.59Å; I182-M295 HydrophobicContact CD1-CG 3.89Å; I182-M295 HydrophobicContact CD1-SD 4.29Å
183P89.6Confident94.6Very high59 Ų5922.3 Ų22.338%0.38315%0.145SC..THydrogen-bonded Turntrans-61.6152.3169.7-20.132.7000112.2A185 Y292 M295P183-A185 VanDerWaalsContact C-N 3.25Å; P183-A185 PolarHBondContact O-N 3.18Å; P183-Y292 HydrophobicContact CG-CD2 3.66Å; P183-Y292 HydrophobicContact CG-CE2 3.94Å; P183-Y292 HydrophobicContact CG-CG 4.35Å; P183-M295 WeakPolarHBondContact O-CG 3.44Å
184G89.3Confident94.6Very high18 Ų1824.4 Ų24.419%0.18616%0.16CC..THydrogen-bonded Turntrans73.910.3177.100000114.8G129 K130 M295G129-G184 CarbonylContact C-O 3.53Å; G129-G184 WeakPolarHBondContact CA-O 3.43Å; K130-G184 PolarHBondContact N-O 2.65Å; K130-G184 CarbonylContact O-C 3.51Å; G184-M295 WeakPolarHBondContact O-CE 3.25Å
185A92.7Very high94.6Very high0 Ų024.2 Ų24.20%016%0.159CC..  trans-141.436.1174.800000111.3I182 P183 D187 Y188 C189 M295I182-A185 HydrophobicContact CD1-CB 4.25Å; I182-A185 HydrophobicContact CG1-CB 4.01Å; P183-A185 VanDerWaalsContact C-N 3.25Å; P183-A185 PolarHBondContact O-N 3.18Å; A185-D187 VanDerWaalsContact C-N 3.32Å; A185-D187 PolarHBondContact O-N 3.32Å; A185-Y188 PolarHBondContact O-N 2.72Å; A185-C189 WeakPolarHBondContact O-CB 3.25Å; A185-C189 PolarHBondContact O-N 3.37Å; A185-C189 PolarHBondContact O-SG 3.5Å; A185-M295 HydrophobicContact CB-CE 4.23Å
186I93.7Very high94.7Very high63 Ų6324.8 Ų24.832%0.32316%0.16SC..Hα-helixtrans-62.4-39.7-171.1-166.9170.5000112.2L132 L140 Y188 T190L132-I186 HydrophobicContact CB-CD1 4.03Å; L132-I186 HydrophobicContact CB-CG2 4.36Å; L132-I186 HydrophobicContact CD1-CD1 4.38Å; L132-I186 HydrophobicContact CD2-CD1 4.28Å; L132-I186 HydrophobicContact CG-CD1 4.47Å; L140-I186 HydrophobicContact CD2-CG2 4.47Å; I186-Y188 VanDerWaalsContact C-N 3.35Å; I186-Y188 PolarHBondContact O-N 3.43Å; I186-T190 HydrophobicContact CG1-CG2 4.27Å; I186-T190 WeakPolarHBondContact O-CB 3.28Å; I186-T190 WeakPolarHBondContact O-CG2 3.34Å; I186-T190 PolarHBondContact O-N 2.97Å; I186-T190 PolarHBondContact O-OG1 3.29Å
187D94.9Very high94.9Very high2 Ų227 Ų271%0.01118%0.179CC..Hα-helixtrans-61-43.1175.468.8-53000111.8H128 L140 S143 Q144 A185 T190 S191H128-D187 WeakPolarHBondContact CB-OD2 3.4Å; H128-D187 PolarHBondContact N-OD2 3.42Å; L140-D187 HydrophobicContact CD2-CB 3.76Å; S143-D187 WeakPolarHBondContact CB-OD2 3.48Å; S143-D187 PolarHBondContact OG-OD2 3.17Å; Q144-D187 PolarHBondContact NE2-O 2.96Å; A185-D187 VanDerWaalsContact C-N 3.32Å; A185-D187 PolarHBondContact O-N 3.32Å; D187-T190 PolarHBondContact O-OG1 2.85Å; D187-T190 VanDerWaalsContact O-OG1 3.13Å; D187-S191 WeakPolarHBondContact O-CB 3.27Å; D187-S191 PolarHBondContact O-N 2.93Å; D187-S191 VanDerWaalsContact O-N 3.16Å; D187-S191 PolarHBondContact O-OG 3.27Å
188Y95.9Very high95.1Very high14 Ų1427.7 Ų27.76%0.05518%0.182CC..Hα-helixtrans-72.3-46.8179-173-94.1000111.8A125 V126 V127 L177 A185 I186 T190 S191 K192 M226 F227A125-Y188 HydrophobicContact CB-CE2 4.47Å; V126-Y188 WeakPolarHBondContact O-CD2 3.34Å; V127-Y188 HydrophobicContact CB-CD2 3.71Å; V127-Y188 HydrophobicContact CB-CE2 4.45Å; V127-Y188 HydrophobicContact CB-CG 4.12Å; V127-Y188 HydrophobicContact CG2-CD2 4.36Å; V127-Y188 HydrophobicContact CG2-CG 4.26Å; L177-Y188 HydrophobicContact CB-CD1 4.25Å; L177-Y188 HydrophobicContact CB-CE1 4.24Å; L177-Y188 HydrophobicContact CD1-CD1 3.76Å; L177-Y188 HydrophobicContact CD1-CE1 3.89Å; A185-Y188 PolarHBondContact O-N 2.72Å; I186-Y188 VanDerWaalsContact C-N 3.35Å; I186-Y188 PolarHBondContact O-N 3.43Å; Y188-T190 PolarHBondContact O-N 3.14Å; Y188-S191 PolarHBondContact O-N 3.45Å; Y188-S191 PolarHBondContact O-OG 2.97Å; Y188-K192 HydrophobicContact CD1-CG 3.92Å; Y188-K192 HydrophobicContact CD2-CG 4.34Å; Y188-K192 HydrophobicContact CE1-CD 4.4Å; Y188-K192 HydrophobicContact CE1-CG 3.61Å; Y188-K192 HydrophobicContact CE2-CD 4.42Å; Y188-K192 HydrophobicContact CE2-CG 4.11Å; Y188-K192 HydrophobicContact CG-CG 4.29Å; Y188-K192 VanDerWaalsContact O-CB 3.28Å; Y188-K192 WeakPolarHBondContact O-CB 3.31Å; Y188-K192 VanDerWaalsContact O-CG 3.24Å; Y188-K192 WeakPolarHBondContact O-CG 3.14Å; Y188-K192 PolarHBondContact O-N 3.45Å; Y188-K192 WeakPolarHBondContact OH-CE 3.5Å; Y188-M226 HydrophobicContact CE2-SD 4.36Å; Y188-F227 HydrophobicContact CD1-CZ 4.3Å; Y188-F227 AromaticContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE2-CZ 4.2Å; Y188-F227 AromaticContact CZ-CZ 3.85Å
189C96.2Very high95.2Very high7 Ų727 Ų275%0.04718%0.175CC..Hα-helixtrans-61.9-47-179.1-63.90000110.9A181 A185 K192 A193A181-C189 HydrophobicContact CB-CB 3.91Å; A185-C189 WeakPolarHBondContact O-CB 3.25Å; A185-C189 PolarHBondContact O-N 3.37Å; A185-C189 PolarHBondContact O-SG 3.5Å; C189-K192 PolarHBondContact O-N 2.85Å; C189-A193 WeakPolarHBondContact O-CB 3.39Å; C189-A193 PolarHBondContact O-N 2.89Å
190T96.9Very high95.4Very high70 Ų7030 Ų3043%0.42919%0.188SC..Hα-helixtrans-63.6-43.917952.90000111.9Q144 I186 D187 Y188 A193 S194Q144-T190 PolarHBondContact NE2-OG1 3.11Å; I186-T190 HydrophobicContact CG1-CG2 4.27Å; I186-T190 WeakPolarHBondContact O-CB 3.28Å; I186-T190 WeakPolarHBondContact O-CG2 3.34Å; I186-T190 PolarHBondContact O-N 2.97Å; I186-T190 PolarHBondContact O-OG1 3.29Å; D187-T190 PolarHBondContact O-OG1 2.85Å; D187-T190 VanDerWaalsContact O-OG1 3.13Å; Y188-T190 PolarHBondContact O-N 3.14Å; T190-A193 PolarHBondContact O-N 3.39Å; T190-S194 PolarHBondContact O-N 3.3Å
191S97.8Very high95.8Very high0 Ų033.3 Ų33.30%021%0.211CC..Hα-helixtrans-67.1-40178.159.50000112.9N147 T148 D187 Y188 S194 A195N147-S191 WeakPolarHBondContact CB-OG 3.34Å; N147-S191 PolarHBondContact ND2-OG 3.03Å; T148-S191 WeakPolarHBondContact OG1-CA 3.04Å; T148-S191 WeakPolarHBondContact OG1-CB 3.13Å; T148-S191 PolarHBondContact OG1-O 3.15Å; D187-S191 WeakPolarHBondContact O-CB 3.27Å; D187-S191 PolarHBondContact O-N 2.93Å; D187-S191 VanDerWaalsContact O-N 3.16Å; D187-S191 PolarHBondContact O-OG 3.27Å; Y188-S191 PolarHBondContact O-N 3.45Å; Y188-S191 PolarHBondContact O-OG 2.97Å; S191-S194 WeakPolarHBondContact O-CB 3.44Å; S191-S194 PolarHBondContact O-N 3.17Å; S191-A195 WeakPolarHBondContact O-CB 3.47Å; S191-A195 PolarHBondContact O-N 2.84Å
192K97.8Very high96.1Very high3 Ų331.7 Ų31.71%0.01320%0.195CC..Hα-helixtrans-69.2-34.6176.9-70.9-67.6174.5-174.10112.9L173 N174 A178 Y188 C189 F196L173-K192 PolarHBondContact O-NZ 2.88Å; N174-K192 PolarHBondContact ND2-O 3.49Å; N174-K192 VanDerWaalsContact ND2-O 3.07Å; N174-K192 VanDerWaalsContact OD1-CB 3.24Å; N174-K192 WeakPolarHBondContact OD1-CB 2.98Å; N174-K192 WeakPolarHBondContact OD1-CD 3.45Å; N174-K192 PolarHBondContact OD1-O 3.46Å; A178-K192 HydrophobicContact CB-CB 4.09Å; A178-K192 WeakPolarHBondContact CB-O 3.41Å; Y188-K192 HydrophobicContact CD1-CG 3.92Å; Y188-K192 HydrophobicContact CD2-CG 4.34Å; Y188-K192 HydrophobicContact CE1-CD 4.4Å; Y188-K192 HydrophobicContact CE1-CG 3.61Å; Y188-K192 HydrophobicContact CE2-CD 4.42Å; Y188-K192 HydrophobicContact CE2-CG 4.11Å; Y188-K192 HydrophobicContact CG-CG 4.29Å; Y188-K192 VanDerWaalsContact O-CB 3.28Å; Y188-K192 WeakPolarHBondContact O-CB 3.31Å; Y188-K192 VanDerWaalsContact O-CG 3.24Å; Y188-K192 WeakPolarHBondContact O-CG 3.14Å; Y188-K192 PolarHBondContact O-N 3.45Å; Y188-K192 WeakPolarHBondContact OH-CE 3.5Å; C189-K192 PolarHBondContact O-N 2.85Å; K192-F196 WeakPolarHBondContact O-CB 3.38Å; K192-F196 PolarHBondContact O-N 3.09Å
193A98.2Very high96.4Very high39 Ų3932.7 Ų32.732%0.32220%0.202SC..Hα-helixtrans-63.6-42.5170.300000111.7C189 T190 F196 A197C189-A193 WeakPolarHBondContact O-CB 3.39Å; C189-A193 PolarHBondContact O-N 2.89Å; T190-A193 PolarHBondContact O-N 3.39Å; A193-F196 WeakPolarHBondContact O-CB 3.49Å; A193-F196 PolarHBondContact O-N 3.3Å; A193-A197 PolarHBondContact O-N 2.8Å
194S98.3Very high96.7Very high50 Ų5035.6 Ų35.635%0.3521%0.213SC..Hα-helixtrans-63.1-46.2175.6-169.20000112.2T148 T190 S191 F196 A197 F198T148-S194 WeakPolarHBondContact CG2-OG 3.31Å; T190-S194 PolarHBondContact O-N 3.3Å; S191-S194 WeakPolarHBondContact O-CB 3.44Å; S191-S194 PolarHBondContact O-N 3.17Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 3.37Å; S194-A197 PolarHBondContact O-N 2.92Å; S194-F198 WeakPolarHBondContact O-CB 3.35Å; S194-F198 PolarHBondContact O-N 3.17Å
195A98Very high97.1Very high0 Ų037.5 Ų37.50%023%0.233CC..Hα-helixtrans-61.1-34173.700000112.8S191 M199S191-A195 WeakPolarHBondContact O-CB 3.47Å; S191-A195 PolarHBondContact O-N 2.84Å; A195-M199 WeakPolarHBondContact O-CG 3.38Å; A195-M199 PolarHBondContact O-N 3.1Å; A195-M199 VanDerWaalsContact O-N 3.08Å
196F98.3Very high97.3Very high22 Ų2238.2 Ų38.210%0.09624%0.237CC..Hα-helixtrans-65.3-52.4175.7-173.6-108000111.2N174 A178 L179 K192 A193 S194 F198 M199 E200 T216 L218 L260N174-F196 VanDerWaalsContact ND2-CA 3.28Å; N174-F196 WeakPolarHBondContact ND2-CA 2.88Å; N174-F196 VanDerWaalsContact ND2-CB 3.3Å; N174-F196 WeakPolarHBondContact ND2-CB 3.23Å; N174-F196 PolarHBondContact ND2-N 3.07Å; A178-F196 HydrophobicContact CB-CB 3.93Å; A178-F196 HydrophobicContact CB-CG 4.4Å; L179-F196 HydrophobicContact CD2-CD1 3.94Å; L179-F196 HydrophobicContact CD2-CE1 3.66Å; L179-F196 HydrophobicContact CD2-CG 4.49Å; L179-F196 HydrophobicContact CD2-CZ 4.01Å; K192-F196 WeakPolarHBondContact O-CB 3.38Å; K192-F196 PolarHBondContact O-N 3.09Å; A193-F196 WeakPolarHBondContact O-CB 3.49Å; A193-F196 PolarHBondContact O-N 3.3Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 3.37Å; F196-F198 VanDerWaalsContact C-N 3.27Å; F196-F198 PolarHBondContact O-N 2.84Å; F196-M199 PolarHBondContact O-N 2.84Å; F196-E200 HydrophobicContact CD1-CG 4.31Å; F196-E200 HydrophobicContact CE1-CG 3.89Å; F196-E200 WeakPolarHBondContact CE1-OE1 3.09Å; F196-E200 VanDerWaalsContact CE1-OE2 3.25Å; F196-E200 WeakPolarHBondContact CE1-OE2 3.48Å; F196-E200 HydrophobicContact CE2-CG 4.46Å; F196-E200 HydrophobicContact CZ-CG 3.97Å; F196-E200 PolarHBondContact O-N 3.44Å; F196-T216 HydrophobicContact CD2-CG2 3.97Å; F196-T216 HydrophobicContact CE2-CG2 4.27Å; F196-L218 HydrophobicContact CD2-CD1 4.26Å; F196-L218 HydrophobicContact CD2-CD2 4.05Å; F196-L218 HydrophobicContact CE2-CD1 3.97Å; F196-L218 HydrophobicContact CE2-CD2 3.99Å; F196-L260 HydrophobicContact CE2-CD1 3.79Å; F196-L260 HydrophobicContact CZ-CD1 4.39Å
197A98.4Very high97.4Very high53 Ų5341.5 Ų41.544%0.43825%0.254SS..Hα-helixtrans-59.9-38.317800000112.1A193 S194 E200 S201A193-A197 PolarHBondContact O-N 2.8Å; S194-A197 PolarHBondContact O-N 2.92Å; A197-E200 PolarHBondContact O-N 3.03Å; A197-S201 WeakPolarHBondContact O-CB 3.27Å; A197-S201 PolarHBondContact O-N 2.91Å
198F98.4Very high97.3Very high41 Ų4148.9 Ų48.918%0.1829%0.294CS..Hα-helixtrans-57.8-48.6172.4167.5-110.6000112.2Q151 F152 T155 S194 F196 S201 L202Q151-F198 HydrophobicContact CB-CD1 4.46Å; Q151-F198 HydrophobicContact CB-CE1 4.22Å; F152-F198 HydrophobicContact CD1-CD1 4.2Å; F152-F198 AromaticContact CD1-CD2 3.53Å; F152-F198 HydrophobicContact CD1-CD2 3.53Å; F152-F198 HydrophobicContact CD1-CE1 4.26Å; F152-F198 AromaticContact CD1-CE2 3.59Å; F152-F198 HydrophobicContact CD1-CE2 3.59Å; F152-F198 AromaticContact CD1-CG 3.85Å; F152-F198 HydrophobicContact CD1-CG 3.85Å; F152-F198 AromaticContact CD1-CZ 3.97Å; F152-F198 HydrophobicContact CD1-CZ 3.97Å; F152-F198 HydrophobicContact CE1-CB 3.7Å; F152-F198 HydrophobicContact CE1-CD1 4.09Å; F152-F198 AromaticContact CE1-CD2 3.24Å; F152-F198 HydrophobicContact CE1-CD2 3.24Å; F152-F198 AromaticContact CE1-CE2 3.84Å; F152-F198 HydrophobicContact CE1-CE2 3.84Å; F152-F198 AromaticContact CE1-CG 3.39Å; F152-F198 HydrophobicContact CE1-CG 3.39Å; F152-F198 HydrophobicContact CE1-CZ 4.46Å; F152-F198 HydrophobicContact CZ-CB 4.47Å; F152-F198 HydrophobicContact CZ-CD2 4.2Å; F152-F198 HydrophobicContact CZ-CG 4.48Å; T155-F198 HydrophobicContact CG2-CZ 4.11Å; S194-F198 WeakPolarHBondContact O-CB 3.35Å; S194-F198 PolarHBondContact O-N 3.17Å; F196-F198 VanDerWaalsContact C-N 3.27Å; F196-F198 PolarHBondContact O-N 2.84Å; F198-S201 PolarHBondContact O-N 2.89Å; F198-L202 HydrophobicContact CE1-CD2 4.28Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 WeakPolarHBondContact O-CB 3.04Å; F198-L202 PolarHBondContact O-N 3.21Å
199M98.4Very high97.4Very high0 Ų050 Ų500%030%0.304CS..Hα-helixtrans-68.7-35.6-179.3-72.8-61.2-6000113I170 C172 A195 F196 L202 T203 A214 T216I170-M199 HydrophobicContact CG2-CE 4.17Å; I170-M199 HydrophobicContact CG2-SD 4.22Å; C172-M199 HydrophobicContact CB-CE 3.89Å; C172-M199 HydrophobicContact CB-CG 3.46Å; C172-M199 VanDerWaalsContact CB-CG 3.46Å; C172-M199 HydrophobicContact CB-SD 3.61Å; A195-M199 WeakPolarHBondContact O-CG 3.38Å; A195-M199 PolarHBondContact O-N 3.1Å; A195-M199 VanDerWaalsContact O-N 3.08Å; F196-M199 PolarHBondContact O-N 2.84Å; M199-L202 HydrophobicContact CE-CD2 4.48Å; M199-L202 PolarHBondContact O-N 2.93Å; M199-L202 HydrophobicContact SD-CD2 4.1Å; M199-T203 VanDerWaalsContact O-CB 3.31Å; M199-T203 WeakPolarHBondContact O-CB 3.34Å; M199-T203 PolarHBondContact O-N 3.41Å; M199-T203 PolarHBondContact O-OG1 3.34Å; M199-A214 HydrophobicContact CE-CB 3.82Å; M199-T216 HydrophobicContact CB-CG2 4.31Å; M199-T216 WeakPolarHBondContact CB-OG1 3.19Å; M199-T216 HydrophobicContact CG-CG2 4.48Å
200E97.8Very high97.3Very high103 Ų10353.6 Ų53.648%0.48133%0.327SS..Hα-helixtrans-61-48.6172.6-71.4-169.8119.800110.8F196 A197 T203 L204F196-E200 HydrophobicContact CD1-CG 4.31Å; F196-E200 HydrophobicContact CE1-CG 3.89Å; F196-E200 WeakPolarHBondContact CE1-OE1 3.09Å; F196-E200 VanDerWaalsContact CE1-OE2 3.25Å; F196-E200 WeakPolarHBondContact CE1-OE2 3.48Å; F196-E200 HydrophobicContact CE2-CG 4.46Å; F196-E200 HydrophobicContact CZ-CG 3.97Å; F196-E200 PolarHBondContact O-N 3.44Å; A197-E200 PolarHBondContact O-N 3.03Å; E200-T203 PolarHBondContact O-N 3.24Å; E200-L204 WeakPolarHBondContact O-CG 3.47Å; E200-L204 PolarHBondContact O-N 3.4Å; E200-L204 VanDerWaalsContact O-N 3.11Å
201S98.2Very high97.3Very high82 Ų8252.3 Ų52.357%0.57333%0.327SS*.Hα-helixtrans-61.2-45.3176.9-174.40000112.2A197 F198 T203 L204 G205A197-S201 WeakPolarHBondContact O-CB 3.27Å; A197-S201 PolarHBondContact O-N 2.91Å; F198-S201 PolarHBondContact O-N 2.89Å; S201-T203 PolarHBondContact O-N 3.26Å; S201-L204 PolarHBondContact O-N 2.63Å; S201-G205 PolarHBondContact O-N 3.04Å
202L98Very high97.3Very high24 Ų2452.6 Ų52.613%0.12633%0.329CS..Hα-helixtrans-61.3-45.1176.9177.562.7000111.6T155 L159 I170 F198 M199 L204 G205 L206T155-L202 HydrophobicContact CG2-CD2 4.06Å; L159-L202 HydrophobicContact CD2-CD1 3.8Å; I170-L202 HydrophobicContact CB-CD2 4.28Å; I170-L202 HydrophobicContact CG1-CD2 4.32Å; I170-L202 HydrophobicContact CG2-CD2 4.05Å; F198-L202 HydrophobicContact CE1-CD2 4.28Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 WeakPolarHBondContact O-CB 3.04Å; F198-L202 PolarHBondContact O-N 3.21Å; M199-L202 HydrophobicContact CE-CD2 4.48Å; M199-L202 PolarHBondContact O-N 2.93Å; M199-L202 HydrophobicContact SD-CD2 4.1Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.32Å; L202-G205 PolarHBondContact O-N 2.7Å; L202-G205 VanDerWaalsContact O-N 3.14Å; L202-L206 HydrophobicContact CD1-CD1 4.06Å; L202-L206 HydrophobicContact CD1-CG 4.19Å; L202-L206 HydrophobicContact CG-CD1 4Å; L202-L206 HydrophobicContact CG-CG 4.5Å; L202-L206 VanDerWaalsContact O-CG 3.29Å; L202-L206 WeakPolarHBondContact O-CG 3.27Å; L202-L206 PolarHBondContact O-N 3.39Å; L202-L206 VanDerWaalsContact O-N 3.08Å
203T97.4Very high97.3Very high37 Ų3754.3 Ų54.323%0.22734%0.341CS..Hα-helixtrans-61.4-42.2-179.2-57.20000111.1M199 E200 S201 L206 A259M199-T203 VanDerWaalsContact O-CB 3.31Å; M199-T203 WeakPolarHBondContact O-CB 3.34Å; M199-T203 PolarHBondContact O-N 3.41Å; M199-T203 PolarHBondContact O-OG1 3.34Å; E200-T203 PolarHBondContact O-N 3.24Å; S201-T203 PolarHBondContact O-N 3.26Å; T203-L206 PolarHBondContact O-N 2.93Å; T203-A259 HydrophobicContact CG2-CB 4.27Å
204L97.1Very high97.3Very high119 Ų11952.7 Ų52.762%0.62333%0.328SS*.Hα-helixtrans-65.3-40.2174.4-68.1173.9000112E200 S201 L202 L206 L207E200-L204 WeakPolarHBondContact O-CG 3.47Å; E200-L204 PolarHBondContact O-N 3.4Å; E200-L204 VanDerWaalsContact O-N 3.11Å; S201-L204 PolarHBondContact O-N 2.63Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.32Å; L204-L206 PolarHBondContact O-N 2.95Å; L204-L207 HydrophobicContact CD2-CD1 4.12Å; L204-L207 VanDerWaalsContact O-CG 3.28Å; L204-L207 WeakPolarHBondContact O-CG 3.41Å; L204-L207 PolarHBondContact O-N 3.34Å
205G97.3Very high97.3Very high58 Ų5850.3 Ų50.360%0.59831%0.312SS*.Hα-helixtrans-65-18.2176.500000114.5S201 L202S201-G205 PolarHBondContact O-N 3.04Å; L202-G205 PolarHBondContact O-N 2.7Å; L202-G205 VanDerWaalsContact O-N 3.14Å
206L97.3Very high97.4Very high15 Ų1550.5 Ų50.58%0.07931%0.313CS..THydrogen-bonded Turntrans-95.60.4179.7-68.1173.4000114L159 L163 L202 T203 L204 D208 C209 V212 A214L159-L206 HydrophobicContact CD1-CD2 4.26Å; L163-L206 HydrophobicContact CD2-CD2 3.93Å; L202-L206 HydrophobicContact CD1-CD1 4.06Å; L202-L206 HydrophobicContact CD1-CG 4.19Å; L202-L206 HydrophobicContact CG-CD1 4Å; L202-L206 HydrophobicContact CG-CG 4.5Å; L202-L206 VanDerWaalsContact O-CG 3.29Å; L202-L206 WeakPolarHBondContact O-CG 3.27Å; L202-L206 PolarHBondContact O-N 3.39Å; L202-L206 VanDerWaalsContact O-N 3.08Å; T203-L206 PolarHBondContact O-N 2.93Å; L204-L206 PolarHBondContact O-N 2.95Å; L206-D208 PolarHBondContact O-N 3.25Å; L206-D208 VanDerWaalsContact O-N 3.15Å; L206-C209 HydrophobicContact CB-CB 4.45Å; L206-C209 HydrophobicContact CD2-CB 3.97Å; L206-C209 WeakPolarHBondContact O-CB 3.25Å; L206-C209 PolarHBondContact O-N 2.86Å; L206-V212 HydrophobicContact CD1-CG1 4.13Å; L206-V212 HydrophobicContact CD2-CB 4.38Å; L206-V212 HydrophobicContact CD2-CG1 3.88Å; L206-A214 HydrophobicContact CD1-CB 4.22Å
207L94.4Very high97.4Very high132 Ų13249.5 Ų49.569%0.69131%0.308SS*.THydrogen-bonded Turntrans-55.9-34.8-176-74173.1000113.5L204L204-L207 HydrophobicContact CD2-CD1 4.12Å; L204-L207 VanDerWaalsContact O-CG 3.28Å; L204-L207 WeakPolarHBondContact O-CG 3.41Å; L204-L207 PolarHBondContact O-N 3.34Å
208D94.5Very high97.3Very high157 Ų15747 Ų4784%0.8429%0.288SS*.THydrogen-bonded Turntrans-102.416.4179.6-61.5-44.2000112.9L206 P210L206-D208 PolarHBondContact O-N 3.25Å; L206-D208 VanDerWaalsContact O-N 3.15Å; D208-P210 WeakPolarHBondContact O-CD 3.42Å
209C96.7Very high97.2Very high39 Ų3945.5 Ų45.526%0.26428%0.282SS..  trans-106.685.7179.6-63.60000110.4L163 L206 G211 V212L163-C209 HydrophobicContact CD2-CB 3.73Å; L206-C209 HydrophobicContact CB-CB 4.45Å; L206-C209 HydrophobicContact CD2-CB 3.97Å; L206-C209 WeakPolarHBondContact O-CB 3.25Å; L206-C209 PolarHBondContact O-N 2.86Å; C209-G211 PolarHBondContact O-N 3.44Å; C209-V212 HydrophobicContact CB-CB 4.43Å; C209-V212 PolarHBondContact O-N 2.82Å
210P94.3Very high96.8Very high82 Ų8247.2 Ų47.253%0.53229%0.289SS..THydrogen-bonded Turntrans-58.3136.7-176.525.4-35.1000111.3Q166 D208 V212Q166-P210 WeakPolarHBondContact CB-O 3.42Å; D208-P210 WeakPolarHBondContact O-CD 3.42Å; P210-V212 PolarHBondContact O-N 2.92Å
211G96Very high96.2Very high43 Ų4343.9 Ų43.944%0.44327%0.274SS..THydrogen-bonded Turntrans77.60.2177.300000115.7Q166 N167 G168 C209Q166-G211 WeakPolarHBondContact O-CA 3.41Å; N167-G211 WeakPolarHBondContact CA-O 3.45Å; G168-G211 PolarHBondContact N-O 3.27Å; C209-G211 PolarHBondContact O-N 3.44Å
212V98.3Very high95.5Very high6 Ų640.4 Ų40.44%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-113.7129.4171.9-173.90000109.8L159 M162 L163 G168 L206 C209 P210L159-V212 HydrophobicContact CD1-CG1 3.79Å; M162-V212 HydrophobicContact CB-CG2 4.3Å; M162-V212 WeakPolarHBondContact O-CG2 3.45Å; L163-V212 HydrophobicContact CD2-CB 4.25Å; L163-V212 HydrophobicContact CD2-CG1 4.35Å; L163-V212 HydrophobicContact CD2-CG2 4Å; G168-V212 WeakPolarHBondContact O-CA 3.24Å; L206-V212 HydrophobicContact CD1-CG1 4.13Å; L206-V212 HydrophobicContact CD2-CB 4.38Å; L206-V212 HydrophobicContact CD2-CG1 3.88Å; C209-V212 HydrophobicContact CB-CB 4.43Å; C209-V212 PolarHBondContact O-N 2.82Å; P210-V212 PolarHBondContact O-N 2.92Å
213S97.9Very high94.8Very high38 Ų3842.1 Ų42.127%0.26626%0.263SS..EExtended strand (participates in β ladder)trans-136.2168-177.1-66.40000111.9G168 H169 I170G168-S213 PolarHBondContact O-N 2.91Å; H169-S213 CarbonylContact C-O 3.54Å; H169-S213 VanDerWaalsContact CA-O 3.28Å; H169-S213 WeakPolarHBondContact CA-O 3.41Å; I170-S213 PolarHBondContact N-O 3.19Å
214A98.5Very high94.2Very high6 Ų641.8 Ų41.85%0.0526%0.261CS..EExtended strand (participates in β ladder)trans-135.3146.5177.100000111I170 M199 L206 A259I170-A214 HydrophobicContact CB-CB 4.45Å; I170-A214 CarbonylContact O-C 3.56Å; I170-A214 WeakPolarHBondContact O-CA 3.4Å; M199-A214 HydrophobicContact CE-CB 3.82Å; L206-A214 HydrophobicContact CD1-CB 4.22Å; A214-A259 WeakPolarHBondContact O-CA 3.46Å
215T98.7Very high93.4Very high0 Ų041.2 Ų41.20%026%0.255CS..EExtended strand (participates in β ladder)trans-132.9125.3174.8-66.50000110H169 I170 V171 C172 V217 A253 Q258 A259H169-T215 PolarHBondContact NE2-OG1 3.45Å; I170-T215 PolarHBondContact O-N 3.11Å; V171-T215 CarbonylContact C-O 3.5Å; V171-T215 VanDerWaalsContact CA-O 3.3Å; V171-T215 WeakPolarHBondContact CA-O 3.3Å; C172-T215 PolarHBondContact N-O 3.23Å; T215-V217 HydrophobicContact CG2-CG2 3.93Å; T215-A253 HydrophobicContact CG2-CB 4.12Å; T215-Q258 VanDerWaalsContact CB-O 3.32Å; T215-Q258 WeakPolarHBondContact CB-O 3.43Å; T215-Q258 VanDerWaalsContact CG2-O 3.23Å; T215-Q258 WeakPolarHBondContact CG2-O 3.29Å; T215-Q258 PolarHBondContact OG1-O 3.45Å; T215-A259 CarbonylContact C-O 3.5Å; T215-A259 WeakPolarHBondContact CA-O 3.29Å
216T98.6Very high92.8Very high4 Ų441 Ų413%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-106.3123.5172.8-50.50000109.6C172 N174 F196 M199 L218 A259 L260 L261C172-T216 HydrophobicContact CB-CG2 4.49Å; N174-T216 HydrophobicContact CB-CG2 4.04Å; F196-T216 HydrophobicContact CD2-CG2 3.97Å; F196-T216 HydrophobicContact CE2-CG2 4.27Å; M199-T216 HydrophobicContact CB-CG2 4.31Å; M199-T216 WeakPolarHBondContact CB-OG1 3.19Å; M199-T216 HydrophobicContact CG-CG2 4.48Å; T216-L218 HydrophobicContact CG2-CD1 3.75Å; T216-A259 PolarHBondContact N-O 3.2Å; T216-L260 HydrophobicContact CG2-CD1 4.48Å; T216-L260 WeakPolarHBondContact O-CA 3.34Å; T216-L261 PolarHBondContact O-N 3.19Å
217V98.5Very high92.2Very high0 Ų041.2 Ų41.20%024%0.24CC..EExtended strand (participates in β ladder)trans-108.9125.9-179.6-171.90000109.7V171 C172 L173 N174 T215 P219 T250 L261 L263V171-V217 HydrophobicContact CG1-CG2 4.42Å; C172-V217 PolarHBondContact O-N 2.91Å; L173-V217 HydrophobicContact CD1-CB 4.08Å; L173-V217 HydrophobicContact CD1-CG1 4.25Å; L173-V217 HydrophobicContact CD1-CG2 4.45Å; N174-V217 CarbonylContact C-O 3.43Å; N174-V217 VanDerWaalsContact CA-O 3.24Å; N174-V217 WeakPolarHBondContact CA-O 3.5Å; N174-V217 VanDerWaalsContact CB-O 3.3Å; N174-V217 WeakPolarHBondContact CB-O 3.24Å; N174-V217 PolarHBondContact N-O 3.21Å; T215-V217 HydrophobicContact CG2-CG2 3.93Å; V217-P219 VanDerWaalsContact O-CD 3.32Å; V217-P219 WeakPolarHBondContact O-CD 3.33Å; V217-T250 HydrophobicContact CG2-CG2 3.83Å; V217-L261 CarbonylContact C-O 3.59Å; V217-L261 WeakPolarHBondContact CA-O 3.47Å; V217-L261 HydrophobicContact CG1-CB 4.41Å; V217-L261 HydrophobicContact CG1-CD2 3.9Å; V217-L261 HydrophobicContact CG1-CG 4.29Å; V217-L261 HydrophobicContact CG2-CB 4.36Å; V217-L261 HydrophobicContact CG2-CD2 4.24Å; V217-L263 HydrophobicContact CG1-CD1 4.27Å
218L97.6Very high91.7Very high1 Ų140.4 Ų40.41%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-11982.7180-67.187.2000108.6N174 V176 L179 F196 T216 L260 L261 L262 L263N174-L218 HydrophobicContact CB-CG 4.37Å; V176-L218 HydrophobicContact CG2-CB 4.43Å; L179-L218 HydrophobicContact CD1-CD2 3.56Å; L179-L218 HydrophobicContact CG-CD2 3.72Å; F196-L218 HydrophobicContact CD2-CD1 4.26Å; F196-L218 HydrophobicContact CD2-CD2 4.05Å; F196-L218 HydrophobicContact CE2-CD1 3.97Å; F196-L218 HydrophobicContact CE2-CD2 3.99Å; T216-L218 HydrophobicContact CG2-CD1 3.75Å; L218-L260 HydrophobicContact CD1-CD1 3.33Å; L218-L260 HydrophobicContact CD1-CG 4.39Å; L218-L261 PolarHBondContact N-O 3.28Å; L218-L262 HydrophobicContact CB-CD1 3.47Å; L218-L262 VanDerWaalsContact CB-CD1 3.47Å; L218-L262 HydrophobicContact CD2-CD1 4.22Å; L218-L262 HydrophobicContact CG-CD1 4.39Å; L218-L263 PolarHBondContact O-N 3.03Å
219P95.4Very high91Very high9 Ų934.1 Ų34.16%0.05821%0.205CC..EExtended strand (participates in β ladder)trans-73.9144.117232.6-32.3000110.5N174 V176 V217 L241 V246 L263N174-P219 WeakPolarHBondContact O-CD 3.23Å; V176-P219 PolarHBondContact N-O 3.15Å; V176-P219 VanDerWaalsContact N-O 3.15Å; V217-P219 VanDerWaalsContact O-CD 3.32Å; V217-P219 WeakPolarHBondContact O-CD 3.33Å; P219-L241 HydrophobicContact CB-CD1 4.06Å; P219-V246 HydrophobicContact CB-CG1 4.13Å; P219-V246 HydrophobicContact CB-CG2 4.05Å; P219-V246 HydrophobicContact CG-CG1 4.29Å; P219-L263 CarbonylContact C-O 3.54Å
220F90.1Very high90.5Very high36 Ų3633.8 Ų33.816%0.15820%0.2CC..  trans-66.2178.1159-176.2-112.9000109.7V176 T222 F238 L241 L263 M267V176-F220 HydrophobicContact CG2-CB 4.34Å; F220-T222 PolarHBondContact O-N 2.91Å; F220-T222 VanDerWaalsContact O-N 3.09Å; F220-T222 PolarHBondContact O-OG1 3.35Å; F220-F238 HydrophobicContact CE1-CB 4.11Å; F220-F238 HydrophobicContact CZ-CB 4.27Å; F220-L241 HydrophobicContact CB-CD1 4.36Å; F220-L263 WeakPolarHBondContact CB-O 3.36Å; F220-L263 PolarHBondContact N-O 3.15Å; F220-M267 HydrophobicContact CB-CG 4.2Å; F220-M267 HydrophobicContact CB-SD 4.18Å; F220-M267 HydrophobicContact CD2-CE 4.46Å; F220-M267 HydrophobicContact CD2-SD 3.64Å; F220-M267 HydrophobicContact CE2-SD 4.35Å; F220-M267 HydrophobicContact CG-SD 4.05Å
221H85.6Confident90Very high33 Ų3338.3 Ų38.315%0.15321%0.206CC..SBendtrans-42.8120.8178.2176.4-145.7000111.6M230 P240 L241H221-M230 HydrophobicContact CB-CE 4.32Å; H221-M230 HydrophobicContact CB-SD 4.45Å; H221-P240 CarbonylContact O-C 3.58Å; H221-P240 VanDerWaalsContact O-CA 3.3Å; H221-P240 WeakPolarHBondContact O-CA 3.28Å; H221-L241 PolarHBondContact O-N 2.78Å
222T83.4Confident89.3Confident9 Ų937.8 Ų37.86%0.05519%0.194CC..BIsolated β-bridgetrans-114.3132-178.3-54.40000109.3I50 F220 T224 L241 P243 V246I50-T222 HydrophobicContact CD1-CG2 3.99Å; I50-T222 HydrophobicContact CG1-CG2 4.13Å; F220-T222 PolarHBondContact O-N 2.91Å; F220-T222 VanDerWaalsContact O-N 3.09Å; F220-T222 PolarHBondContact O-OG1 3.35Å; T222-T224 HydrophobicContact CG2-CG2 4.02Å; T222-T224 PolarHBondContact O-N 2.9Å; T222-T224 PolarHBondContact O-OG1 2.91Å; T222-L241 WeakPolarHBondContact CA-O 3.31Å; T222-L241 HydrophobicContact CG2-CB 4.39Å; T222-L241 WeakPolarHBondContact CG2-O 3.25Å; T222-P243 HydrophobicContact CG2-CB 4.41Å; T222-P243 HydrophobicContact CG2-CG 4.02Å; T222-V246 HydrophobicContact CG2-CG2 3.94Å
223S83.8Confident88.7Confident61 Ų6144.6 Ų44.643%0.42722%0.219SC..  trans-67.487.6-177.6-58.10000111P240 L241 P243S223-P240 WeakPolarHBondContact OG-CB 3.17Å; S223-P240 WeakPolarHBondContact OG-CG 3.44Å; S223-L241 PolarHBondContact N-O 2.99Å; S223-P243 VanDerWaalsContact O-CG 3.27Å; S223-P243 WeakPolarHBondContact O-CG 3.33Å
224T84.6Confident88.1Confident30 Ų3045.7 Ų45.718%0.18422%0.219CC..SBendtrans-136.3161.3-179.359.70000110.4I50 T222 M226 F227 P243I50-T224 HydrophobicContact CG1-CG2 4.18Å; T222-T224 HydrophobicContact CG2-CG2 4.02Å; T222-T224 PolarHBondContact O-N 2.9Å; T222-T224 PolarHBondContact O-OG1 2.91Å; T224-M226 PolarHBondContact O-N 3.21Å; T224-F227 PolarHBondContact O-N 3.35Å; T224-P243 HydrophobicContact CG2-CG 3.79Å
225E80.4Confident87.3Confident106 Ų10648.6 Ų48.650%0.49524%0.238SC..G310 helixtrans-55.9-30173.5-63178.1166.300112.8R48 F227 Q228R48-E225 IonicContact CZ-OE2 3.92Å; R48-E225 IonicContact NH1-OE2 2.84Å; R48-E225 PolarHBondContact NH1-OE2 3.46Å; E225-F227 VanDerWaalsContact C-N 3.29Å; E225-F227 PolarHBondContact O-N 3.21Å; E225-Q228 WeakPolarHBondContact O-CB 3.24Å; E225-Q228 PolarHBondContact O-N 3.26Å
226M84.7Confident86.6Confident53 Ų5356.3 Ų56.326%0.26128%0.279SS..G310 helixtrans-59.4-38.6-178.1-179.1-179.9-67.500112.8A125 V127 Y188 T224 F298A125-M226 HydrophobicContact CB-CE 4.12Å; A125-M226 WeakPolarHBondContact O-CE 3.08Å; V127-M226 HydrophobicContact CG1-CG 3.51Å; V127-M226 HydrophobicContact CG1-SD 4.13Å; Y188-M226 HydrophobicContact CE2-SD 4.36Å; T224-M226 PolarHBondContact O-N 3.21Å; M226-F298 VanDerWaalsContact O-CE2 3.25Å; M226-F298 WeakPolarHBondContact O-CE2 3.42Å
227F84Confident85.6Confident20 Ų2061.8 Ų61.89%0.08831%0.308CS..G310 helixtrans-105.524.1-178.9-74.8-83.1000112.4V127 Y188 T224 E225 G229 M230 F298V127-F227 HydrophobicContact CG1-CE1 4.42Å; V127-F227 HydrophobicContact CG1-CZ 4.28Å; Y188-F227 HydrophobicContact CD1-CZ 4.3Å; Y188-F227 AromaticContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE2-CZ 4.2Å; Y188-F227 AromaticContact CZ-CZ 3.85Å; T224-F227 PolarHBondContact O-N 3.35Å; E225-F227 VanDerWaalsContact C-N 3.29Å; E225-F227 PolarHBondContact O-N 3.21Å; F227-G229 PolarHBondContact O-N 3.4Å; F227-M230 HydrophobicContact CB-CB 4.34Å; F227-M230 HydrophobicContact CB-SD 4.47Å; F227-M230 HydrophobicContact CD1-SD 3.93Å; F227-M230 HydrophobicContact CG-SD 4.48Å; F227-M230 VanDerWaalsContact O-CB 3.28Å; F227-M230 WeakPolarHBondContact O-CB 3.33Å; F227-M230 PolarHBondContact O-N 3.03Å; F227-F298 HydrophobicContact CD1-CE2 4.35Å
228Q84.5Confident84.9Confident115 Ų11565.2 Ų65.254%0.53732%0.323SS..THydrogen-bonded Turntrans-59.1128.2178.7-168.6177.119.900111E225 K299 G300E225-Q228 WeakPolarHBondContact O-CB 3.24Å; E225-Q228 PolarHBondContact O-N 3.26Å; Q228-K299 PolarHBondContact O-N 3.25Å; Q228-G300 PolarHBondContact O-N 3.31Å
229G80Confident84.3Confident26 Ų2668.8 Ų68.827%0.26835%0.346SS..THydrogen-bonded Turntrans90.5-8-177.700000114.8F227 R231 T297F227-G229 PolarHBondContact O-N 3.4Å; G229-R231 PolarHBondContact O-N 2.93Å; G229-T297 CarbonylContact C-O 3.58Å; G229-T297 VanDerWaalsContact CA-O 3.29Å; G229-T297 WeakPolarHBondContact CA-O 3.49Å; G229-T297 CarbonylContact O-C 3.56Å; G229-T297 WeakPolarHBondContact O-CB 3.47Å; G229-T297 PolarHBondContact O-OG1 2.89Å
230M85.5Confident83.9Confident31 Ų3170.7 Ų70.715%0.15336%0.359CS..  trans-64.4133.9169.1-175.8-171.3170.600110.2H221 F227 V232 C294 M295H221-M230 HydrophobicContact CB-CE 4.32Å; H221-M230 HydrophobicContact CB-SD 4.45Å; F227-M230 HydrophobicContact CB-CB 4.34Å; F227-M230 HydrophobicContact CB-SD 4.47Å; F227-M230 HydrophobicContact CD1-SD 3.93Å; F227-M230 HydrophobicContact CG-SD 4.48Å; F227-M230 VanDerWaalsContact O-CB 3.28Å; F227-M230 WeakPolarHBondContact O-CB 3.33Å; F227-M230 PolarHBondContact O-N 3.03Å; M230-V232 HydrophobicContact CE-CG2 4.4Å; M230-C294 WeakPolarHBondContact CA-O 3.48Å; M230-C294 HydrophobicContact CE-CB 4.14Å; M230-C294 HydrophobicContact CG-CB 4.29Å; M230-C294 WeakPolarHBondContact CG-O 3.33Å; M230-M295 HydrophobicContact CG-SD 4.21Å
231R82.8Confident84Confident178 Ų17870.3 Ų70.367%0.67236%0.358SS*.  trans-121.6127179.7-70.7-177.2179.3-166.30.5111.6G229 C294 T297G229-R231 PolarHBondContact O-N 2.93Å; R231-C294 PolarHBondContact N-O 3.04Å; R231-C294 VanDerWaalsContact O-CA 3.25Å; R231-C294 WeakPolarHBondContact O-CA 3.25Å; R231-C294 WeakPolarHBondContact O-CB 3.36Å; R231-T297 WeakPolarHBondContact CD-OG1 3.3Å
232V82.7Confident84.4Confident32 Ų3275.4 Ų75.419%0.19438%0.379CS..  trans-97.2135.7171.3-177.30000108.3M230 F234 F238M230-V232 HydrophobicContact CE-CG2 4.4Å; V232-F234 PolarHBondContact O-N 3.22Å; V232-F238 HydrophobicContact CG1-CB 4.38Å
233R84.8Confident85Confident148 Ų14875.7 Ų75.756%0.55838%0.381SS*.SBendtrans-64.2-38.1-176.6-170.8-177.3-179.31651.9113.1P235 K287 F288 S289R233-P235 VanDerWaalsContact C-CD 3.47Å; R233-P235 VanDerWaalsContact O-CD 3.31Å; R233-P235 WeakPolarHBondContact O-CD 3.11Å; R233-K287 PolarHBondContact NH1-O 3.43Å; R233-F288 WeakPolarHBondContact CD-O 3.25Å; R233-F288 PolarHBondContact NH1-O 3.22Å; R233-S289 WeakPolarHBondContact CB-O 3.12Å
234F85.7Confident85.6Confident61 Ų6176.9 Ų76.927%0.26838%0.38SS..  trans-118.971-178.2-52.5-63.7000111.2V232 N236 L237 F238 F288V232-F234 PolarHBondContact O-N 3.22Å; F234-N236 PolarHBondContact O-N 2.99Å; F234-L237 HydrophobicContact CB-CB 4Å; F234-L237 PolarHBondContact O-N 3.01Å; F234-L237 VanDerWaalsContact O-N 3.1Å; F234-F238 HydrophobicContact CB-CD2 4.29Å; F234-F238 PolarHBondContact O-N 3.32Å; F234-F288 HydrophobicContact CE2-CD1 4.06Å; F234-F288 AromaticContact CE2-CE1 3.71Å; F234-F288 HydrophobicContact CE2-CE1 3.71Å; F234-F288 AromaticContact CE2-CZ 3.97Å; F234-F288 HydrophobicContact CE2-CZ 3.97Å; F234-F288 VanDerWaalsContact CE2-O 3.31Å; F234-F288 WeakPolarHBondContact CE2-O 3.19Å; F234-F288 HydrophobicContact CZ-CE1 4.18Å; F234-F288 HydrophobicContact CZ-CE2 4.27Å; F234-F288 AromaticContact CZ-CZ 3.94Å; F234-F288 HydrophobicContact CZ-CZ 3.94Å
235P81.8Confident86.2Confident67 Ų6777.9 Ų77.944%0.43539%0.386SS..THydrogen-bonded Turntrans-65.7-23.7-174.927.8-35.1000113.2R233 F238 P239R233-P235 VanDerWaalsContact C-CD 3.47Å; R233-P235 VanDerWaalsContact O-CD 3.31Å; R233-P235 WeakPolarHBondContact O-CD 3.11Å; P235-F238 CarbonylContact O-C 3.54Å; P235-P239 WeakPolarHBondContact O-CA 3.43Å; P235-P239 VanDerWaalsContact O-N 3.16Å
236N83.2Confident87Confident162 Ų16272.8 Ų72.887%0.86636%0.363SS*.THydrogen-bonded Turntrans-75.7-29.2175.8-64.6-17.9000112.5F234F234-N236 PolarHBondContact O-N 2.99Å
237L79.3Confident87.7Confident120 Ų12070.3 Ų70.363%0.62835%0.351SS*.THydrogen-bonded Turntrans-87.6-34.1179.1-171.961.7000111.5F234 P239F234-L237 HydrophobicContact CB-CB 4Å; F234-L237 PolarHBondContact O-N 3.01Å; F234-L237 VanDerWaalsContact O-N 3.1Å; L237-P239 VanDerWaalsContact C-CD 3.48Å; L237-P239 WeakPolarHBondContact O-CD 3.24Å
238F82.3Confident88.4Confident71 Ų7174.2 Ų74.231%0.31137%0.365SS..SBendtrans-125.870.4177.8-53.6-71.2000110.2F220 V232 F234 P235F220-F238 HydrophobicContact CE1-CB 4.11Å; F220-F238 HydrophobicContact CZ-CB 4.27Å; V232-F238 HydrophobicContact CG1-CB 4.38Å; F234-F238 HydrophobicContact CB-CD2 4.29Å; F234-F238 PolarHBondContact O-N 3.32Å; P235-F238 CarbonylContact O-C 3.54Å
239P85.3Confident89Confident77 Ų7772.2 Ų72.250%0.535%0.353SS..PPolyproline II helixtrans-64.9141.3-177.526.6-34.3000110.9P235 L237P235-P239 WeakPolarHBondContact O-CA 3.43Å; P235-P239 VanDerWaalsContact O-N 3.16Å; L237-P239 VanDerWaalsContact C-CD 3.48Å; L237-P239 WeakPolarHBondContact O-CD 3.24Å
240P88.1Confident89.9Confident49 Ų4971 Ų7132%0.31834%0.34SS..PPolyproline II helixtrans-66.2143175.130.6-35.4000110.1H221 S223H221-P240 CarbonylContact O-C 3.58Å; H221-P240 VanDerWaalsContact O-CA 3.3Å; H221-P240 WeakPolarHBondContact O-CA 3.28Å; S223-P240 WeakPolarHBondContact OG-CB 3.17Å; S223-P240 WeakPolarHBondContact OG-CG 3.44Å
241L92.3Very high90.5Very high27 Ų2769.5 Ų69.514%0.14133%0.332CS..BIsolated β-bridgetrans-70.7146.4177-63.3175.2000110.4P219 F220 H221 T222 S223 V246 L263P219-L241 HydrophobicContact CB-CD1 4.06Å; F220-L241 HydrophobicContact CB-CD1 4.36Å; H221-L241 PolarHBondContact O-N 2.78Å; T222-L241 WeakPolarHBondContact CA-O 3.31Å; T222-L241 HydrophobicContact CG2-CB 4.39Å; T222-L241 WeakPolarHBondContact CG2-O 3.25Å; S223-L241 PolarHBondContact N-O 2.99Å; L241-V246 HydrophobicContact CB-CG2 3.96Å; L241-V246 HydrophobicContact CD1-CG2 4.03Å; L241-L263 HydrophobicContact CD1-CB 3.84Å
242K94.1Very high91.2Very high140 Ų14063.1 Ų63.161%0.60931%0.31SS*.PPolyproline II helixtrans-79.7136.7168.1-66.6-174.3-179.1-179.30109.5E244 T245 V246K242-E244 WeakPolarHBondContact CB-OE2 3.45Å; K242-E244 PolarHBondContact O-N 3.02Å; K242-T245 WeakPolarHBondContact O-CB 3.33Å; K242-T245 PolarHBondContact O-N 3.21Å; K242-V246 PolarHBondContact O-N 3.33Å
243P95.4Very high91.9Very high15 Ų1561.6 Ų61.610%0.09730%0.301CS..Hα-helixtrans-52.7-36.4177-27.735.9000113.6I50 Q53 T222 S223 T224 T245 V246 A247I50-P243 HydrophobicContact CG1-CB 4.25Å; Q53-P243 HydrophobicContact CG-CB 3.92Å; T222-P243 HydrophobicContact CG2-CB 4.41Å; T222-P243 HydrophobicContact CG2-CG 4.02Å; S223-P243 VanDerWaalsContact O-CG 3.27Å; S223-P243 WeakPolarHBondContact O-CG 3.33Å; T224-P243 HydrophobicContact CG2-CG 3.79Å; P243-T245 VanDerWaalsContact C-N 3.32Å; P243-T245 PolarHBondContact O-N 3.34Å; P243-V246 PolarHBondContact O-N 3.4Å; P243-A247 WeakPolarHBondContact O-CB 3.44Å; P243-A247 PolarHBondContact O-N 2.86Å
244E96.7Very high92.6Very high86 Ų8654.6 Ų54.640%0.40228%0.275SS..Hα-helixtrans-63.2-38.6177.2-58.569.2-148.300111.2Q53 K242 A247 R248Q53-E244 HydrophobicContact CG-CG 4.15Å; Q53-E244 PolarHBondContact NE2-OE1 2.96Å; K242-E244 WeakPolarHBondContact CB-OE2 3.45Å; K242-E244 PolarHBondContact O-N 3.02Å; E244-A247 PolarHBondContact O-N 2.81Å; E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.45Å; E244-R248 PolarHBondContact O-N 3.48Å
245T96.9Very high93.1Very high51 Ų5152.4 Ų52.431%0.31327%0.265SS..Hα-helixtrans-68.2-40.3177-59.80000111.3K242 P243 R249K242-T245 WeakPolarHBondContact O-CB 3.33Å; K242-T245 PolarHBondContact O-N 3.21Å; P243-T245 VanDerWaalsContact C-N 3.32Å; P243-T245 PolarHBondContact O-N 3.34Å; T245-R249 HydrophobicContact CG2-CG 4.44Å; T245-R249 WeakPolarHBondContact O-CB 3.07Å; T245-R249 VanDerWaalsContact O-CG 3.26Å; T245-R249 WeakPolarHBondContact O-CG 3.16Å; T245-R249 PolarHBondContact O-N 3.04Å; T245-R249 VanDerWaalsContact O-N 3.08Å
246V98Very high93.7Very high0 Ų052.1 Ų52.10%026%0.26CS..Hα-helixtrans-64.2-46176-179.80000110.1I50 L173 P219 T222 L241 K242 P243 T250I50-V246 HydrophobicContact CD1-CG1 4.31Å; I50-V246 HydrophobicContact CG2-CG1 4.04Å; L173-V246 HydrophobicContact CD1-CG1 4.23Å; P219-V246 HydrophobicContact CB-CG1 4.13Å; P219-V246 HydrophobicContact CB-CG2 4.05Å; P219-V246 HydrophobicContact CG-CG1 4.29Å; T222-V246 HydrophobicContact CG2-CG2 3.94Å; L241-V246 HydrophobicContact CB-CG2 3.96Å; L241-V246 HydrophobicContact CD1-CG2 4.03Å; K242-V246 PolarHBondContact O-N 3.33Å; P243-V246 PolarHBondContact O-N 3.4Å; V246-T250 VanDerWaalsContact O-CB 3.28Å; V246-T250 WeakPolarHBondContact O-CB 3.18Å; V246-T250 PolarHBondContact O-N 3.25Å; V246-T250 PolarHBondContact O-OG1 2.89Å
247A98.5Very high94.3Very high1 Ų148.2 Ų48.21%0.00824%0.239CC..Hα-helixtrans-59.9-53.2177.800000112.1Q53 L54 E57 P243 E244 R249 T250 V251Q53-A247 VanDerWaalsContact C-CB 3.41Å; Q53-A247 HydrophobicContact CB-CB 3.59Å; Q53-A247 WeakPolarHBondContact O-CB 3.08Å; L54-A247 HydrophobicContact CD2-CB 4.1Å; L54-A247 HydrophobicContact CG-CB 4.11Å; E57-A247 HydrophobicContact CB-CB 4.36Å; P243-A247 WeakPolarHBondContact O-CB 3.44Å; P243-A247 PolarHBondContact O-N 2.86Å; E244-A247 PolarHBondContact O-N 2.81Å; A247-R249 PolarHBondContact O-N 2.62Å; A247-T250 WeakPolarHBondContact O-CB 3.36Å; A247-T250 PolarHBondContact O-N 3.32Å; A247-T250 VanDerWaalsContact O-N 3.07Å; A247-V251 PolarHBondContact O-N 2.93Å
248R98.3Very high95Very high102 Ų10245.6 Ų45.639%0.38522%0.224SC..Hα-helixtrans-53.7-50.1178.2-173.8-178.860.975.2-3.9112.7E57 E244 T250 V251 E252E57-R248 WeakPolarHBondContact OE2-CA 3.25Å; E57-R248 WeakPolarHBondContact OE2-CB 3.36Å; E244-R248 VanDerWaalsContact O-CB 3.3Å; E244-R248 WeakPolarHBondContact O-CB 3.45Å; E244-R248 PolarHBondContact O-N 3.48Å; R248-T250 VanDerWaalsContact C-N 3.31Å; R248-T250 PolarHBondContact O-N 3.5Å; R248-V251 PolarHBondContact O-N 3.1Å; R248-E252 IonicContact NH1-OE2 2.65Å; R248-E252 WeakPolarHBondContact O-CB 3.19Å; R248-E252 PolarHBondContact O-N 3.28Å
249R98Very high95.6Very high73 Ų7344.5 Ų44.528%0.27523%0.228SC..Hα-helixtrans-67.9-32.3179.8-67.1-65.6-65.5161-2.5112.2T245 A247 E252 A253 L261 L263T245-R249 HydrophobicContact CG2-CG 4.44Å; T245-R249 WeakPolarHBondContact O-CB 3.07Å; T245-R249 VanDerWaalsContact O-CG 3.26Å; T245-R249 WeakPolarHBondContact O-CG 3.16Å; T245-R249 PolarHBondContact O-N 3.04Å; T245-R249 VanDerWaalsContact O-N 3.08Å; A247-R249 PolarHBondContact O-N 2.62Å; R249-E252 IonicContact CZ-OE2 2.77Å; R249-E252 IonicContact NH1-OE1 3.32Å; R249-E252 PolarHBondContact NH1-OE1 2.95Å; R249-E252 IonicContact NH1-OE2 3.7Å; R249-E252 PolarHBondContact NH1-OE2 3.21Å; R249-A253 WeakPolarHBondContact O-CB 3.48Å; R249-A253 PolarHBondContact O-N 3.32Å; R249-L261 HydrophobicContact CB-CD2 4.03Å; R249-L261 VanDerWaalsContact O-CD2 3.28Å; R249-L261 WeakPolarHBondContact O-CD2 3.44Å; R249-L263 HydrophobicContact CB-CD1 3.79Å; R249-L263 HydrophobicContact CB-CD2 4.11Å; R249-L263 HydrophobicContact CG-CD1 4.42Å; R249-L263 HydrophobicContact CG-CD2 4.17Å
250T98.6Very high96.2Very high0 Ų044.7 Ų44.70%022%0.224CC..Hα-helixtrans-65.8-50175.2-61.20000111.2L54 V171 L173 V217 V246 A247 R248 E252 A253 V254L54-T250 HydrophobicContact CD2-CG2 3.59Å; V171-T250 HydrophobicContact CG1-CG2 3.87Å; L173-T250 HydrophobicContact CD1-CG2 4.41Å; L173-T250 HydrophobicContact CD2-CG2 4.29Å; V217-T250 HydrophobicContact CG2-CG2 3.83Å; V246-T250 VanDerWaalsContact O-CB 3.28Å; V246-T250 WeakPolarHBondContact O-CB 3.18Å; V246-T250 PolarHBondContact O-N 3.25Å; V246-T250 PolarHBondContact O-OG1 2.89Å; A247-T250 WeakPolarHBondContact O-CB 3.36Å; A247-T250 PolarHBondContact O-N 3.32Å; A247-T250 VanDerWaalsContact O-N 3.07Å; R248-T250 VanDerWaalsContact C-N 3.31Å; R248-T250 PolarHBondContact O-N 3.5Å; T250-E252 VanDerWaalsContact C-N 3.32Å; T250-E252 PolarHBondContact O-N 3.29Å; T250-A253 PolarHBondContact O-N 3.15Å; T250-V254 WeakPolarHBondContact O-CG2 3.43Å; T250-V254 PolarHBondContact O-N 3.19Å
251V98.5Very high96.6Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-65.3-38.5179.6-177.80000110.9L36 L54 E57 F58 R61 A247 R248 A253 V254 Q255L36-V251 HydrophobicContact CD1-CG1 3.77Å; L54-V251 HydrophobicContact CD2-CG2 4.36Å; E57-V251 HydrophobicContact CB-CG2 3.85Å; E57-V251 HydrophobicContact CG-CB 3.63Å; E57-V251 HydrophobicContact CG-CG1 4.21Å; E57-V251 HydrophobicContact CG-CG2 3.44Å; E57-V251 VanDerWaalsContact CG-CG2 3.44Å; F58-V251 HydrophobicContact CD1-CG1 3.86Å; F58-V251 HydrophobicContact CD1-CG2 4.06Å; F58-V251 HydrophobicContact CD2-CG2 3.75Å; F58-V251 HydrophobicContact CE1-CB 4.41Å; F58-V251 HydrophobicContact CE1-CG1 3.83Å; F58-V251 HydrophobicContact CE1-CG2 4Å; F58-V251 HydrophobicContact CE2-CG2 3.67Å; F58-V251 HydrophobicContact CG-CG1 4.45Å; F58-V251 HydrophobicContact CG-CG2 3.94Å; F58-V251 HydrophobicContact CZ-CG1 4.39Å; F58-V251 HydrophobicContact CZ-CG2 3.81Å; R61-V251 HydrophobicContact CB-CG1 4.28Å; R61-V251 HydrophobicContact CG-CG1 3.83Å; A247-V251 PolarHBondContact O-N 2.93Å; R248-V251 PolarHBondContact O-N 3.1Å; V251-A253 PolarHBondContact O-N 3.26Å; V251-V254 WeakPolarHBondContact O-CB 3.28Å; V251-V254 PolarHBondContact O-N 3.01Å; V251-Q255 WeakPolarHBondContact O-CG 3.25Å; V251-Q255 PolarHBondContact O-N 3.33Å
252E97.4Very high96.7Very high43 Ų4341.8 Ų41.820%0.20121%0.206CC..Hα-helixtrans-59.6-44.8172.4-169.7-175.8164.900112.1R248 R249 T250 V254 Q255 L256R248-E252 IonicContact NH1-OE2 2.65Å; R248-E252 WeakPolarHBondContact O-CB 3.19Å; R248-E252 PolarHBondContact O-N 3.28Å; R249-E252 IonicContact CZ-OE2 2.77Å; R249-E252 IonicContact NH1-OE1 3.32Å; R249-E252 PolarHBondContact NH1-OE1 2.95Å; R249-E252 IonicContact NH1-OE2 3.7Å; R249-E252 PolarHBondContact NH1-OE2 3.21Å; T250-E252 VanDerWaalsContact C-N 3.32Å; T250-E252 PolarHBondContact O-N 3.29Å; E252-V254 VanDerWaalsContact C-N 3.32Å; E252-V254 PolarHBondContact O-N 2.98Å; E252-Q255 PolarHBondContact O-N 3.37Å; E252-L256 HydrophobicContact CG-CD1 4.12Å; E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 VanDerWaalsContact O-CG 3.29Å; E252-L256 WeakPolarHBondContact O-CG 3.2Å; E252-L256 PolarHBondContact O-N 2.96Å
253A97.4Very high96.8Very high1 Ų135.8 Ų35.81%0.00818%0.18CC..Hα-helixtrans-63.3-36.5175.500000112.8T215 R249 T250 V251 L256 N257 Q258 L261T215-A253 HydrophobicContact CG2-CB 4.12Å; R249-A253 WeakPolarHBondContact O-CB 3.48Å; R249-A253 PolarHBondContact O-N 3.32Å; T250-A253 PolarHBondContact O-N 3.15Å; V251-A253 PolarHBondContact O-N 3.26Å; A253-L256 CarbonylContact O-C 3.52Å; A253-L256 PolarHBondContact O-N 3.48Å; A253-N257 PolarHBondContact O-N 3.14Å; A253-N257 VanDerWaalsContact O-N 3.09Å; A253-Q258 HydrophobicContact CB-CB 3.95Å; A253-Q258 HydrophobicContact CB-CG 4.46Å; A253-Q258 PolarHBondContact O-N 3.37Å; A253-L261 HydrophobicContact CB-CB 4.24Å; A253-L261 HydrophobicContact CB-CD2 3.78Å; A253-L261 HydrophobicContact CB-CG 4.42Å
254V98.2Very high96.6Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-62.3-46.7171.7170.10000110.5F58 I119 H169 V171 T250 V251 E252 L256 N257F58-V254 HydrophobicContact CE1-CG1 4.36Å; F58-V254 HydrophobicContact CZ-CG2 4.39Å; I119-V254 HydrophobicContact CD1-CG1 4.04Å; H169-V254 PolarHBondContact CE1-O 3.47Å; V171-V254 HydrophobicContact CG1-CG2 4.4Å; V171-V254 HydrophobicContact CG2-CG2 3.45Å; V171-V254 VanDerWaalsContact CG2-CG2 3.45Å; T250-V254 WeakPolarHBondContact O-CG2 3.43Å; T250-V254 PolarHBondContact O-N 3.19Å; V251-V254 WeakPolarHBondContact O-CB 3.28Å; V251-V254 PolarHBondContact O-N 3.01Å; E252-V254 VanDerWaalsContact C-N 3.32Å; E252-V254 PolarHBondContact O-N 2.98Å; V254-L256 PolarHBondContact O-N 2.96Å; V254-N257 PolarHBondContact O-N 3.1Å; V254-N257 VanDerWaalsContact O-N 3.08Å
255Q97.3Very high96.2Very high16 Ų1642.3 Ų42.38%0.07520%0.204CC..Hα-helixtrans-62.9-29.7177.9-69.7-172.4-7000113.2L33 R34 L36 V251 E252L33-Q255 HydrophobicContact CB-CB 4.05Å; L33-Q255 HydrophobicContact CD2-CB 3.87Å; L33-Q255 HydrophobicContact CG-CB 4.46Å; R34-Q255 WeakPolarHBondContact CB-O 3.29Å; R34-Q255 PolarHBondContact N-O 3.21Å; R34-Q255 PolarHBondContact O-NE2 3.44Å; L36-Q255 HydrophobicContact CD1-CG 3.97Å; L36-Q255 HydrophobicContact CD2-CG 4.11Å; L36-Q255 HydrophobicContact CG-CG 4.07Å; V251-Q255 WeakPolarHBondContact O-CG 3.25Å; V251-Q255 PolarHBondContact O-N 3.33Å; E252-Q255 PolarHBondContact O-N 3.37Å
256L95.1Very high95.8Very high61 Ų6142.4 Ų42.432%0.31921%0.205SC..THydrogen-bonded Turntrans-87-4.1177.4-69170.2000113.8A31 L33 E252 A253 V254 Q258A31-L256 HydrophobicContact CB-CD2 3.46Å; A31-L256 VanDerWaalsContact CB-CD2 3.46Å; L33-L256 HydrophobicContact CD2-CD2 3.56Å; L33-L256 HydrophobicContact CD2-CG 3.75Å; E252-L256 HydrophobicContact CG-CD1 4.12Å; E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 VanDerWaalsContact O-CG 3.29Å; E252-L256 WeakPolarHBondContact O-CG 3.2Å; E252-L256 PolarHBondContact O-N 2.96Å; A253-L256 CarbonylContact O-C 3.52Å; A253-L256 PolarHBondContact O-N 3.48Å; V254-L256 PolarHBondContact O-N 2.96Å; L256-Q258 HydrophobicContact CB-CB 4.41Å; L256-Q258 PolarHBondContact O-N 2.94Å
257N94.9Very high95.5Very high80 Ų8042.8 Ų42.843%0.42821%0.207SC..THydrogen-bonded Turntrans50.438.6-167.9-62.5-49.5000112.7H169 A253 V254 A259H169-N257 PolarHBondContact CE1-OD1 2.8Å; A253-N257 PolarHBondContact O-N 3.14Å; A253-N257 VanDerWaalsContact O-N 3.09Å; V254-N257 PolarHBondContact O-N 3.1Å; V254-N257 VanDerWaalsContact O-N 3.08Å; N257-A259 PolarHBondContact O-N 3.19Å
258Q94.7Very high95.1Very high65 Ų6547.1 Ų47.130%0.30423%0.227SC..  trans-75.3117.8178.2177.8177.3-3.500109.8T215 A253 L256 L260T215-Q258 VanDerWaalsContact CB-O 3.32Å; T215-Q258 WeakPolarHBondContact CB-O 3.43Å; T215-Q258 VanDerWaalsContact CG2-O 3.23Å; T215-Q258 WeakPolarHBondContact CG2-O 3.29Å; T215-Q258 PolarHBondContact OG1-O 3.45Å; A253-Q258 HydrophobicContact CB-CB 3.95Å; A253-Q258 HydrophobicContact CB-CG 4.46Å; A253-Q258 PolarHBondContact O-N 3.37Å; L256-Q258 HydrophobicContact CB-CB 4.41Å; L256-Q258 PolarHBondContact O-N 2.94Å; Q258-L260 WeakPolarHBondContact CG-O 3.45Å; Q258-L260 PolarHBondContact NE2-O 3.32Å; Q258-L260 PolarHBondContact O-N 2.93Å
259A94.9Very high94.7Very high48 Ų4844.8 Ų44.840%0.39723%0.229SC..SBendtrans-67.2-35.4-176.300000114T203 A214 T215 T216 N257T203-A259 HydrophobicContact CG2-CB 4.27Å; A214-A259 WeakPolarHBondContact O-CA 3.46Å; T215-A259 CarbonylContact C-O 3.5Å; T215-A259 WeakPolarHBondContact CA-O 3.29Å; T216-A259 PolarHBondContact N-O 3.2Å; N257-A259 PolarHBondContact O-N 3.19Å
260L96.1Very high94.1Very high81 Ų8143.7 Ų43.742%0.42423%0.228SC..EExtended strand (participates in β ladder)trans-137124-176-17472.2000110.5F196 T216 L218 Q258F196-L260 HydrophobicContact CE2-CD1 3.79Å; F196-L260 HydrophobicContact CZ-CD1 4.39Å; T216-L260 HydrophobicContact CG2-CD1 4.48Å; T216-L260 WeakPolarHBondContact O-CA 3.34Å; L218-L260 HydrophobicContact CD1-CD1 3.33Å; L218-L260 HydrophobicContact CD1-CG 4.39Å; Q258-L260 WeakPolarHBondContact CG-O 3.45Å; Q258-L260 PolarHBondContact NE2-O 3.32Å; Q258-L260 PolarHBondContact O-N 2.93Å
261L96.9Very high93.6Very high4 Ų445.7 Ų45.72%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-122.4109.1177.3177.767000109.9T216 V217 L218 R249 A253 L263T216-L261 PolarHBondContact O-N 3.19Å; V217-L261 CarbonylContact C-O 3.59Å; V217-L261 WeakPolarHBondContact CA-O 3.47Å; V217-L261 HydrophobicContact CG1-CB 4.41Å; V217-L261 HydrophobicContact CG1-CD2 3.9Å; V217-L261 HydrophobicContact CG1-CG 4.29Å; V217-L261 HydrophobicContact CG2-CB 4.36Å; V217-L261 HydrophobicContact CG2-CD2 4.24Å; L218-L261 PolarHBondContact N-O 3.28Å; R249-L261 HydrophobicContact CB-CD2 4.03Å; R249-L261 VanDerWaalsContact O-CD2 3.28Å; R249-L261 WeakPolarHBondContact O-CD2 3.44Å; A253-L261 HydrophobicContact CB-CB 4.24Å; A253-L261 HydrophobicContact CB-CD2 3.78Å; A253-L261 HydrophobicContact CB-CG 4.42Å; L261-L263 HydrophobicContact CD1-CD2 3.88Å; L261-L263 HydrophobicContact CD1-CG 4.23Å; L261-L263 HydrophobicContact CD2-CD1 3.92Å; L261-L263 HydrophobicContact CD2-CD2 4.43Å; L261-L263 HydrophobicContact CD2-CG 4.19Å; L261-L263 HydrophobicContact CG-CD1 4.2Å; L261-L263 HydrophobicContact CG-CD2 4.12Å; L261-L263 HydrophobicContact CG-CG 3.91Å
262L95.9Very high93.3Very high11 Ų1150.3 Ų50.36%0.05826%0.264CS..EExtended strand (participates in β ladder)trans-101.5125.3175.8-169.467.3000109.6V176 L218 M267 H268 V271V176-L262 HydrophobicContact CG2-CD1 3.84Å; L218-L262 HydrophobicContact CB-CD1 3.47Å; L218-L262 VanDerWaalsContact CB-CD1 3.47Å; L218-L262 HydrophobicContact CD2-CD1 4.22Å; L218-L262 HydrophobicContact CG-CD1 4.39Å; L262-M267 HydrophobicContact CD1-CB 4.13Å; L262-M267 VanDerWaalsContact CD2-C 3.47Å; L262-M267 HydrophobicContact CD2-CB 3.75Å; L262-M267 HydrophobicContact CG-CB 3.73Å; L262-H268 HydrophobicContact CD2-CB 4.29Å; L262-V271 HydrophobicContact CD2-CG2 4.17Å
263L94.4Very high92.8Very high14 Ų1452 Ų527%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-127.4134-174.3-63.7173000111.8V217 L218 P219 F220 L241 R249 L261V217-L263 HydrophobicContact CG1-CD1 4.27Å; L218-L263 PolarHBondContact O-N 3.03Å; P219-L263 CarbonylContact C-O 3.54Å; F220-L263 WeakPolarHBondContact CB-O 3.36Å; F220-L263 PolarHBondContact N-O 3.15Å; L241-L263 HydrophobicContact CD1-CB 3.84Å; R249-L263 HydrophobicContact CB-CD1 3.79Å; R249-L263 HydrophobicContact CB-CD2 4.11Å; R249-L263 HydrophobicContact CG-CD1 4.42Å; R249-L263 HydrophobicContact CG-CD2 4.17Å; L261-L263 HydrophobicContact CD1-CD2 3.88Å; L261-L263 HydrophobicContact CD1-CG 4.23Å; L261-L263 HydrophobicContact CD2-CD1 3.92Å; L261-L263 HydrophobicContact CD2-CD2 4.43Å; L261-L263 HydrophobicContact CD2-CG 4.19Å; L261-L263 HydrophobicContact CG-CD1 4.2Å; L261-L263 HydrophobicContact CG-CD2 4.12Å; L261-L263 HydrophobicContact CG-CG 3.91Å
264P93Very high92.4Very high36 Ų3656.8 Ų56.823%0.23430%0.295CS..SBendcis-66.7168.2-15.731.5-36.4000111.4T266 M267P264-T266 WeakPolarHBondContact CG-OG1 3.49Å; P264-T266 PolarHBondContact O-N 3.35Å; P264-M267 HydrophobicContact CG-CG 4.29Å; P264-M267 WeakPolarHBondContact O-CB 3.19Å; P264-M267 WeakPolarHBondContact O-CG 3.41Å; P264-M267 PolarHBondContact O-N 2.82Å
265W88.3Confident92.1Very high201 Ų20161.6 Ų61.676%0.76133%0.328SS*.THydrogen-bonded Turntrans-56.4-26.5179.771.6-92.2000113.3M267 H268W265-M267 PolarHBondContact O-N 3.43Å; W265-M267 VanDerWaalsContact O-N 3.12Å; W265-H268 WeakPolarHBondContact O-CB 3.34Å; W265-H268 PolarHBondContact O-CD2 3.08Å; W265-H268 VanDerWaalsContact O-CD2 3.28Å; W265-H268 PolarHBondContact O-N 3.29Å
266T88.6Confident91.9Very high54 Ų5467 Ų6733%0.33136%0.357SS..THydrogen-bonded Turntrans-61-20.7177.455.70000113P264 H268 A269P264-T266 WeakPolarHBondContact CG-OG1 3.49Å; P264-T266 PolarHBondContact O-N 3.35Å; T266-H268 PolarHBondContact O-N 3.15Å; T266-A269 WeakPolarHBondContact O-CB 3.46Å; T266-A269 PolarHBondContact O-N 2.99Å; T266-A269 VanDerWaalsContact O-N 3.15Å
267M91.1Very high91.8Very high8 Ų866.9 Ų66.94%0.03936%0.356CS..Hα-helixtrans-66.7-18.8174.6-63.7-63.198.800112.8V176 F220 L262 P264 W265 A269 L270 V271V176-M267 HydrophobicContact CG1-SD 4.22Å; V176-M267 HydrophobicContact CG2-CB 4.32Å; V176-M267 HydrophobicContact CG2-CG 3.99Å; V176-M267 HydrophobicContact CG2-SD 4.39Å; F220-M267 HydrophobicContact CB-CG 4.2Å; F220-M267 HydrophobicContact CB-SD 4.18Å; F220-M267 HydrophobicContact CD2-CE 4.46Å; F220-M267 HydrophobicContact CD2-SD 3.64Å; F220-M267 HydrophobicContact CE2-SD 4.35Å; F220-M267 HydrophobicContact CG-SD 4.05Å; L262-M267 HydrophobicContact CD1-CB 4.13Å; L262-M267 VanDerWaalsContact CD2-C 3.47Å; L262-M267 HydrophobicContact CD2-CB 3.75Å; L262-M267 HydrophobicContact CG-CB 3.73Å; P264-M267 HydrophobicContact CG-CG 4.29Å; P264-M267 WeakPolarHBondContact O-CB 3.19Å; P264-M267 WeakPolarHBondContact O-CG 3.41Å; P264-M267 PolarHBondContact O-N 2.82Å; W265-M267 PolarHBondContact O-N 3.43Å; W265-M267 VanDerWaalsContact O-N 3.12Å; M267-A269 VanDerWaalsContact C-N 3.26Å; M267-A269 PolarHBondContact O-N 2.82Å; M267-L270 WeakPolarHBondContact O-CB 3.33Å; M267-L270 PolarHBondContact O-N 3.16Å; M267-L270 HydrophobicContact SD-CD2 4.16Å; M267-V271 WeakPolarHBondContact O-CG2 3.47Å; M267-V271 PolarHBondContact O-N 3.49Å; M267-V271 VanDerWaalsContact O-N 3.1Å
268H89.9Confident91.8Very high92 Ų9267.2 Ų67.243%0.42636%0.362SS..Hα-helixtrans-61.8-37.6171.7-76.6-75000111.4L262 W265 T266 L270 V271 I272L262-H268 HydrophobicContact CD2-CB 4.29Å; W265-H268 WeakPolarHBondContact O-CB 3.34Å; W265-H268 PolarHBondContact O-CD2 3.08Å; W265-H268 VanDerWaalsContact O-CD2 3.28Å; W265-H268 PolarHBondContact O-N 3.29Å; T266-H268 PolarHBondContact O-N 3.15Å; H268-L270 VanDerWaalsContact C-N 3.32Å; H268-L270 PolarHBondContact O-N 3.18Å; H268-V271 PolarHBondContact O-N 3.49Å; H268-I272 VanDerWaalsContact O-CG1 3.3Å; H268-I272 WeakPolarHBondContact O-CG1 3.45Å; H268-I272 PolarHBondContact O-N 3.38Å
269A89.3Confident91.6Very high53 Ų5369.8 Ų69.844%0.43837%0.374SS..Hα-helixtrans-62.7-40.9175.300000111.1T266 M267 V271 I272 L273T266-A269 WeakPolarHBondContact O-CB 3.46Å; T266-A269 PolarHBondContact O-N 2.99Å; T266-A269 VanDerWaalsContact O-N 3.15Å; M267-A269 VanDerWaalsContact C-N 3.26Å; M267-A269 PolarHBondContact O-N 2.82Å; A269-V271 PolarHBondContact O-N 2.96Å; A269-I272 PolarHBondContact O-N 3.4Å; A269-L273 WeakPolarHBondContact O-CB 3.16Å; A269-L273 WeakPolarHBondContact O-CG 3.41Å; A269-L273 PolarHBondContact O-N 3.37Å
270L84.9Confident91.6Very high49 Ų4970.7 Ų70.726%0.25738%0.382SS..Hα-helixtrans-59.8-45.3175.6179.568.1000111.8V176 M267 H268 L273 K274V176-L270 HydrophobicContact CG1-CD2 4.15Å; M267-L270 WeakPolarHBondContact O-CB 3.33Å; M267-L270 PolarHBondContact O-N 3.16Å; M267-L270 HydrophobicContact SD-CD2 4.16Å; H268-L270 VanDerWaalsContact C-N 3.32Å; H268-L270 PolarHBondContact O-N 3.18Å; L270-L273 PolarHBondContact O-N 3.05Å; L270-K274 WeakPolarHBondContact O-CB 3.37Å; L270-K274 PolarHBondContact O-N 3.35Å
271V88.6Confident91.4Very high43 Ų4368.5 Ų68.526%0.26138%0.375SS..Hα-helixtrans-62.7-45.9178.7176.30000110.9L179 L262 M267 H268 A269 K274 S275L179-V271 HydrophobicContact CB-CG2 4.42Å; L179-V271 HydrophobicContact CD1-CG2 3.64Å; L262-V271 HydrophobicContact CD2-CG2 4.17Å; M267-V271 WeakPolarHBondContact O-CG2 3.47Å; M267-V271 PolarHBondContact O-N 3.49Å; M267-V271 VanDerWaalsContact O-N 3.1Å; H268-V271 PolarHBondContact O-N 3.49Å; A269-V271 PolarHBondContact O-N 2.96Å; V271-K274 PolarHBondContact O-N 3Å; V271-S275 PolarHBondContact O-N 3.13Å; V271-S275 VanDerWaalsContact O-N 3.14Å; V271-S275 PolarHBondContact O-OG 3.32Å
272I91.7Very high91Very high97 Ų9769.2 Ų69.250%0.49738%0.379SS..Hα-helixtrans-62.5-46.7178.1-67.6164.9000111H268 A269 K274 S275 I276H268-I272 VanDerWaalsContact O-CG1 3.3Å; H268-I272 WeakPolarHBondContact O-CG1 3.45Å; H268-I272 PolarHBondContact O-N 3.38Å; A269-I272 PolarHBondContact O-N 3.4Å; I272-K274 VanDerWaalsContact C-N 3.3Å; I272-K274 PolarHBondContact O-N 3.49Å; I272-S275 PolarHBondContact O-N 3.04Å; I272-S275 VanDerWaalsContact O-N 3.09Å; I272-I276 HydrophobicContact CG2-CD1 3.64Å; I272-I276 WeakPolarHBondContact O-CG1 3.05Å; I272-I276 PolarHBondContact O-N 2.63Å
273L88.8Confident90.7Very high79 Ų7972.8 Ų72.841%0.41440%0.395SS..Hα-helixtrans-60.5-41.5178.1-71.9172.4000111.2A269 L270 S275 I276 L277A269-L273 WeakPolarHBondContact O-CB 3.16Å; A269-L273 WeakPolarHBondContact O-CG 3.41Å; A269-L273 PolarHBondContact O-N 3.37Å; L270-L273 PolarHBondContact O-N 3.05Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.12Å; L273-I276 PolarHBondContact O-N 2.83Å; L273-L277 HydrophobicContact CB-CD1 4.07Å; L273-L277 HydrophobicContact CB-CG 4.49Å; L273-L277 HydrophobicContact CD2-CD1 4.06Å; L273-L277 HydrophobicContact CD2-CG 4.34Å; L273-L277 VanDerWaalsContact O-CB 3.27Å; L273-L277 WeakPolarHBondContact O-CB 3.44Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 3.49Å
274K88.3Confident90.6Very high101 Ų10177.1 Ų77.144%0.43942%0.416SS..Hα-helixtrans-59.1-36174.6-174.9179.1171.7-179.90112.7L179 L270 V271 I272 L282L179-K274 VanDerWaalsContact O-CD 3.24Å; L179-K274 WeakPolarHBondContact O-CD 3.43Å; L179-K274 WeakPolarHBondContact O-CE 3.18Å; L179-K274 PolarHBondContact O-NZ 3.21Å; L270-K274 WeakPolarHBondContact O-CB 3.37Å; L270-K274 PolarHBondContact O-N 3.35Å; V271-K274 PolarHBondContact O-N 3Å; I272-K274 VanDerWaalsContact C-N 3.3Å; I272-K274 PolarHBondContact O-N 3.49Å; K274-L282 HydrophobicContact CB-CD2 4.44Å; K274-L282 HydrophobicContact CG-CD1 4.09Å
275S90.6Very high90.4Very high100 Ų10078.2 Ų78.270%0.69942%0.419SS*.Hα-helixtrans-77.4-21.6-179.6-63.20000114.4V271 I272 L273V271-S275 PolarHBondContact O-N 3.13Å; V271-S275 VanDerWaalsContact O-N 3.14Å; V271-S275 PolarHBondContact O-OG 3.32Å; I272-S275 PolarHBondContact O-N 3.04Å; I272-S275 VanDerWaalsContact O-N 3.09Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.12Å
276I94.1Very high90.3Very high130 Ų13070.9 Ų70.967%0.66739%0.393SS*.Hα-helixtrans-109.5-36.9-171.9-60.7171.6000112I272 L273I272-I276 HydrophobicContact CG2-CD1 3.64Å; I272-I276 WeakPolarHBondContact O-CG1 3.05Å; I272-I276 PolarHBondContact O-N 2.63Å; L273-I276 PolarHBondContact O-N 2.83Å
277L93.1Very high90.3Very high58 Ų5873.5 Ų73.530%0.30440%0.4SS..SBendtrans-77.1147-174.4-66.7-179.6000112.1L273 A281 L282 I285L273-L277 HydrophobicContact CB-CD1 4.07Å; L273-L277 HydrophobicContact CB-CG 4.49Å; L273-L277 HydrophobicContact CD2-CD1 4.06Å; L273-L277 HydrophobicContact CD2-CG 4.34Å; L273-L277 VanDerWaalsContact O-CB 3.27Å; L273-L277 WeakPolarHBondContact O-CB 3.44Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 3.49Å; L277-A281 HydrophobicContact CB-CB 4.31Å; L277-A281 HydrophobicContact CD1-CB 4.49Å; L277-L282 HydrophobicContact CB-CD2 3.97Å; L277-L282 HydrophobicContact CB-CG 4.18Å; L277-L282 HydrophobicContact CD1-CD2 4.16Å; L277-I285 HydrophobicContact CD1-CD1 3.65Å
278P94.6Very high90.1Very high87 Ų8779.5 Ų79.557%0.56543%0.426SS*.  trans-66.1151.5170.929.1-34.2000110.9A280 A281 L282P278-A280 VanDerWaalsContact C-N 3.26Å; P278-A280 PolarHBondContact O-N 2.98Å; P278-A280 VanDerWaalsContact O-N 3.15Å; P278-A281 HydrophobicContact CG-CB 4.04Å; P278-A281 WeakPolarHBondContact O-CB 3.07Å; P278-A281 PolarHBondContact O-N 2.85Å; P278-L282 PolarHBondContact O-N 3.32Å
279Q91.3Very high89.9Confident119 Ų11976 Ų7656%0.55641%0.411SS*.Hα-helixtrans-50.4-42.6-177.8178.159.42700113.4A281 L282 E283Q279-A281 VanDerWaalsContact C-N 3.3Å; Q279-A281 PolarHBondContact O-N 3.5Å; Q279-L282 WeakPolarHBondContact O-CB 3.48Å; Q279-L282 PolarHBondContact O-N 3.11Å; Q279-L282 VanDerWaalsContact O-N 3.1Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.48Å; Q279-E283 PolarHBondContact NE2-OE1 3.08Å; Q279-E283 WeakPolarHBondContact O-CG 3.39Å; Q279-E283 PolarHBondContact O-N 3.33Å
280A93.3Very high89.6Confident67 Ų6773.7 Ų73.755%0.55439%0.393SS*.Hα-helixtrans-59.9-37.2178.600000113.1P278 E283 E284P278-A280 VanDerWaalsContact C-N 3.26Å; P278-A280 PolarHBondContact O-N 2.98Å; P278-A280 VanDerWaalsContact O-N 3.15Å; A280-E283 PolarHBondContact O-N 3.12Å; A280-E284 PolarHBondContact O-N 3.47Å
281A92.8Very high89.6Confident35 Ų3573 Ų7329%0.28939%0.391SS..Hα-helixtrans-70.8-36.3176.500000111.6L277 P278 Q279 E283 E284 I285L277-A281 HydrophobicContact CB-CB 4.31Å; L277-A281 HydrophobicContact CD1-CB 4.49Å; P278-A281 HydrophobicContact CG-CB 4.04Å; P278-A281 WeakPolarHBondContact O-CB 3.07Å; P278-A281 PolarHBondContact O-N 2.85Å; Q279-A281 VanDerWaalsContact C-N 3.3Å; Q279-A281 PolarHBondContact O-N 3.5Å; A281-E283 VanDerWaalsContact C-N 3.35Å; A281-E284 PolarHBondContact O-N 3.5Å; A281-I285 WeakPolarHBondContact O-CG1 3.48Å; A281-I285 PolarHBondContact O-N 2.86Å
282L89.5Confident89.3Confident19 Ų1978 Ų7810%0.09941%0.406CS..Hα-helixtrans-64.8-39.8175.1-62.4174.9000111.8K274 L277 P278 Q279 E284 I285 H286K274-L282 HydrophobicContact CB-CD2 4.44Å; K274-L282 HydrophobicContact CG-CD1 4.09Å; L277-L282 HydrophobicContact CB-CD2 3.97Å; L277-L282 HydrophobicContact CB-CG 4.18Å; L277-L282 HydrophobicContact CD1-CD2 4.16Å; P278-L282 PolarHBondContact O-N 3.32Å; Q279-L282 WeakPolarHBondContact O-CB 3.48Å; Q279-L282 PolarHBondContact O-N 3.11Å; Q279-L282 VanDerWaalsContact O-N 3.1Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 3.44Å; L282-I285 HydrophobicContact CD2-CD1 4.38Å; L282-I285 WeakPolarHBondContact O-CB 3.44Å; L282-I285 PolarHBondContact O-N 2.91Å; L282-H286 PolarHBondContact O-CD2 3.39Å; L282-H286 PolarHBondContact O-N 3.28Å
283E89.4Confident89Confident86 Ų8676.8 Ų76.840%0.40240%0.404SS..Hα-helixtrans-60.6-42.4174.4-72.6171.7-166.400112Q279 A280 A281 H286 K287Q279-E283 WeakPolarHBondContact CG-OE1 3.48Å; Q279-E283 PolarHBondContact NE2-OE1 3.08Å; Q279-E283 WeakPolarHBondContact O-CG 3.39Å; Q279-E283 PolarHBondContact O-N 3.33Å; A280-E283 PolarHBondContact O-N 3.12Å; A281-E283 VanDerWaalsContact C-N 3.35Å; E283-H286 PolarHBondContact O-N 3.33Å; E283-K287 WeakPolarHBondContact O-CG 3.21Å; E283-K287 PolarHBondContact O-N 2.96Å
284E91.3Very high88.9Confident106 Ų10673.2 Ų73.250%0.49539%0.385SS..Hα-helixtrans-64.9-37.3174.2-71.2-52.3131.600112.5A280 A281 L282 H286 K287 F288A280-E284 PolarHBondContact O-N 3.47Å; A281-E284 PolarHBondContact O-N 3.5Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 3.44Å; E284-H286 VanDerWaalsContact C-N 3.32Å; E284-H286 PolarHBondContact O-N 3.06Å; E284-K287 PolarHBondContact O-N 2.98Å; E284-K287 WeakPolarHBondContact OE1-CD 3.07Å; E284-K287 IonicContact OE1-NZ 2.74Å; E284-K287 PolarHBondContact OE1-NZ 3.14Å; E284-F288 WeakPolarHBondContact O-CB 3.36Å; E284-F288 PolarHBondContact O-N 3Å
285I88.2Confident89Confident59 Ų5968.9 Ų68.930%0.30337%0.367SS..Hα-helixtrans-60.5-43.3171.5-68.9168.8000110.6L277 A281 L282 F288 S289L277-I285 HydrophobicContact CD1-CD1 3.65Å; A281-I285 WeakPolarHBondContact O-CG1 3.48Å; A281-I285 PolarHBondContact O-N 2.86Å; L282-I285 HydrophobicContact CD2-CD1 4.38Å; L282-I285 WeakPolarHBondContact O-CB 3.44Å; L282-I285 PolarHBondContact O-N 2.91Å; I285-F288 PolarHBondContact O-N 2.98Å; I285-S289 VanDerWaalsContact O-CB 3.24Å; I285-S289 WeakPolarHBondContact O-CB 3.2Å; I285-S289 PolarHBondContact O-N 3.49Å; I285-S289 PolarHBondContact O-OG 2.86Å
286H87.4Confident88.8Confident47 Ų4770.2 Ų70.222%0.21837%0.366CS..Hα-helixtrans-66.2-38.5178.9-76.5-60.5000113.1L282 E283 E284 S289 G290 T291 Y292L282-H286 PolarHBondContact O-CD2 3.39Å; L282-H286 PolarHBondContact O-N 3.28Å; E283-H286 PolarHBondContact O-N 3.33Å; E284-H286 VanDerWaalsContact C-N 3.32Å; E284-H286 PolarHBondContact O-N 3.06Å; H286-S289 PolarHBondContact O-OG 3.24Å; H286-G290 PolarHBondContact O-N 2.74Å; H286-T291 WeakPolarHBondContact CA-OG1 3.36Å; H286-T291 PolarHBondContact ND1-OG1 3.06Å; H286-T291 PolarHBondContact O-N 2.99Å; H286-T291 PolarHBondContact O-OG1 3.44Å; H286-Y292 PolarHBondContact O-N 2.72Å
287K87.3Confident88.3Confident108 Ų10866.8 Ų66.847%0.4735%0.351SS..Hα-helixtrans-67.5-46.7173.4-68.8172.8-165167.30111.2R233 E283 E284 G290R233-K287 PolarHBondContact NH1-O 3.43Å; E283-K287 WeakPolarHBondContact O-CG 3.21Å; E283-K287 PolarHBondContact O-N 2.96Å; E284-K287 PolarHBondContact O-N 2.98Å; E284-K287 WeakPolarHBondContact OE1-CD 3.07Å; E284-K287 IonicContact OE1-NZ 2.74Å; E284-K287 PolarHBondContact OE1-NZ 3.14Å; K287-G290 PolarHBondContact O-N 3.47Å
288F88.2Confident88Confident134 Ų13465.6 Ų65.659%0.58834%0.344SS*.Hα-helixtrans-62.8-52.7-179.4177.9-101.4000111.4R233 F234 E284 I285 G290R233-F288 WeakPolarHBondContact CD-O 3.25Å; R233-F288 PolarHBondContact NH1-O 3.22Å; F234-F288 HydrophobicContact CE2-CD1 4.06Å; F234-F288 AromaticContact CE2-CE1 3.71Å; F234-F288 HydrophobicContact CE2-CE1 3.71Å; F234-F288 AromaticContact CE2-CZ 3.97Å; F234-F288 HydrophobicContact CE2-CZ 3.97Å; F234-F288 VanDerWaalsContact CE2-O 3.31Å; F234-F288 WeakPolarHBondContact CE2-O 3.19Å; F234-F288 HydrophobicContact CZ-CE1 4.18Å; F234-F288 HydrophobicContact CZ-CE2 4.27Å; F234-F288 AromaticContact CZ-CZ 3.94Å; F234-F288 HydrophobicContact CZ-CZ 3.94Å; E284-F288 WeakPolarHBondContact O-CB 3.36Å; E284-F288 PolarHBondContact O-N 3Å; I285-F288 PolarHBondContact O-N 2.98Å; F288-G290 PolarHBondContact O-N 3.44Å
289S84.6Confident87.3Confident18 Ų1869.2 Ų69.213%0.12635%0.35CS..Hα-helixtrans-67.1-15.9179.162.60000114R233 I285 H286 T291R233-S289 WeakPolarHBondContact CB-O 3.12Å; I285-S289 VanDerWaalsContact O-CB 3.24Å; I285-S289 WeakPolarHBondContact O-CB 3.2Å; I285-S289 PolarHBondContact O-N 3.49Å; I285-S289 PolarHBondContact O-OG 2.86Å; H286-S289 PolarHBondContact O-OG 3.24Å; S289-T291 VanDerWaalsContact C-N 3.26Å; S289-T291 PolarHBondContact O-N 3.37Å; S289-T291 WeakPolarHBondContact OG-CG2 3.46Å; S289-T291 PolarHBondContact OG-OG1 2.91Å
290G83.6Confident86.5Confident6 Ų663.8 Ų63.86%0.06233%0.326CS..THydrogen-bonded Turntrans74.412.2-177.500000114H286 K287 F288 Y292 T293 C294H286-G290 PolarHBondContact O-N 2.74Å; K287-G290 PolarHBondContact O-N 3.47Å; F288-G290 PolarHBondContact O-N 3.44Å; G290-Y292 PolarHBondContact O-N 2.6Å; G290-T293 PolarHBondContact O-N 3.15Å; G290-T293 PolarHBondContact O-OG1 3.47Å; G290-C294 PolarHBondContact O-N 3.34Å
291T84.2Confident85.2Confident33 Ų3366.7 Ų66.720%0.20232%0.323CS..G310 helixtrans-63.2-24.8173.353.30000112H286 S289 T293 C294H286-T291 WeakPolarHBondContact CA-OG1 3.36Å; H286-T291 PolarHBondContact ND1-OG1 3.06Å; H286-T291 PolarHBondContact O-N 2.99Å; H286-T291 PolarHBondContact O-OG1 3.44Å; S289-T291 VanDerWaalsContact C-N 3.26Å; S289-T291 PolarHBondContact O-N 3.37Å; S289-T291 WeakPolarHBondContact OG-CG2 3.46Å; S289-T291 PolarHBondContact OG-OG1 2.91Å; T291-T293 PolarHBondContact O-N 3.38Å; T291-C294 PolarHBondContact O-SG 2.62Å
292Y82.4Confident82.8Confident149 Ų14974.5 Ų74.558%0.58437%0.367SS*.G310 helixtrans-61.7-27.5176.2-174.5-98.7000113.5P183 H286 G290P183-Y292 HydrophobicContact CG-CD2 3.66Å; P183-Y292 HydrophobicContact CG-CE2 3.94Å; P183-Y292 HydrophobicContact CG-CG 4.35Å; H286-Y292 PolarHBondContact O-N 2.72Å; G290-Y292 PolarHBondContact O-N 2.6Å
293T86.4Confident82.5Confident72 Ų7277.3 Ų77.344%0.44238%0.381SS..G310 helixtrans-117.95.6-176.556.50000113.6G290 T291 M295 N296G290-T293 PolarHBondContact O-N 3.15Å; G290-T293 PolarHBondContact O-OG1 3.47Å; T291-T293 PolarHBondContact O-N 3.38Å; T293-M295 PolarHBondContact O-N 3.34Å; T293-M295 VanDerWaalsContact O-N 3.12Å; T293-N296 WeakPolarHBondContact O-CB 3.46Å; T293-N296 PolarHBondContact O-N 3.42Å
294C86.6Confident82.1Confident3 Ų376.8 Ų76.82%0.0238%0.38CS..THydrogen-bonded Turntrans-65.9-20.3-170.1670000114.3I182 M230 R231 G290 T291I182-C294 VanDerWaalsContact CD1-SG 3.59Å; M230-C294 WeakPolarHBondContact CA-O 3.48Å; M230-C294 HydrophobicContact CE-CB 4.14Å; M230-C294 HydrophobicContact CG-CB 4.29Å; M230-C294 WeakPolarHBondContact CG-O 3.33Å; R231-C294 PolarHBondContact N-O 3.04Å; R231-C294 VanDerWaalsContact O-CA 3.25Å; R231-C294 WeakPolarHBondContact O-CA 3.25Å; R231-C294 WeakPolarHBondContact O-CB 3.36Å; G290-C294 PolarHBondContact O-N 3.34Å; T291-C294 PolarHBondContact O-SG 2.62Å
295M89.1Confident81.6Confident11 Ų1175.2 Ų75.25%0.05437%0.373CS..THydrogen-bonded Turntrans-93.9-4.6177.4-64.6-62.5-71.500113.7V127 I182 P183 G184 A185 M230 T293 T297 F298V127-M295 HydrophobicContact CG2-CE 4.45Å; I182-M295 HydrophobicContact CD1-CG 3.89Å; I182-M295 HydrophobicContact CD1-SD 4.29Å; P183-M295 WeakPolarHBondContact O-CG 3.44Å; G184-M295 WeakPolarHBondContact O-CE 3.25Å; A185-M295 HydrophobicContact CB-CE 4.23Å; M230-M295 HydrophobicContact CG-SD 4.21Å; T293-M295 PolarHBondContact O-N 3.34Å; T293-M295 VanDerWaalsContact O-N 3.12Å; M295-T297 PolarHBondContact O-N 3.36Å; M295-T297 VanDerWaalsContact O-N 3.14Å; M295-F298 HydrophobicContact CB-CB 4.45Å; M295-F298 HydrophobicContact CE-CB 3.88Å; M295-F298 HydrophobicContact CE-CD1 4Å; M295-F298 HydrophobicContact CE-CD2 3.38Å; M295-F298 HydrophobicContact CE-CE1 4.35Å; M295-F298 HydrophobicContact CE-CE2 3.76Å; M295-F298 HydrophobicContact CE-CG 3.48Å; M295-F298 VanDerWaalsContact CE-CG 3.48Å; M295-F298 HydrophobicContact CE-CZ 4.23Å; M295-F298 WeakPolarHBondContact O-CB 3.1Å; M295-F298 PolarHBondContact O-N 2.84Å; M295-F298 HydrophobicContact SD-CB 4.37Å; M295-F298 HydrophobicContact SD-CD2 4.07Å; M295-F298 HydrophobicContact SD-CG 4.4Å
296N86.8Confident81.2Confident127 Ų12776.2 Ų76.268%0.67938%0.377SS*.THydrogen-bonded Turntrans-63.5-26.4-175.3-68.96.8000113.6T293T293-N296 WeakPolarHBondContact O-CB 3.46Å; T293-N296 PolarHBondContact O-N 3.42Å
297T83.8Confident80.8Confident59 Ų5978 Ų7836%0.36239%0.387SS..THydrogen-bonded Turntrans-106.613.5176.954.80000112.6G229 R231 M295 K299G229-T297 CarbonylContact C-O 3.58Å; G229-T297 VanDerWaalsContact CA-O 3.29Å; G229-T297 WeakPolarHBondContact CA-O 3.49Å; G229-T297 CarbonylContact O-C 3.56Å; G229-T297 WeakPolarHBondContact O-CB 3.47Å; G229-T297 PolarHBondContact O-OG1 2.89Å; R231-T297 WeakPolarHBondContact CD-OG1 3.3Å; M295-T297 PolarHBondContact O-N 3.36Å; M295-T297 VanDerWaalsContact O-N 3.14Å; T297-K299 PolarHBondContact O-N 3.3Å
298F86.6Confident80.4Confident33 Ų3376 Ų7615%0.14538%0.382CS..  trans-60.8126.3178.3178.4-101000109.9V127 M226 F227 M295V127-F298 HydrophobicContact CG1-CE2 4.29Å; V127-F298 HydrophobicContact CG1-CZ 3.89Å; V127-F298 HydrophobicContact CG2-CZ 4.27Å; M226-F298 VanDerWaalsContact O-CE2 3.25Å; M226-F298 WeakPolarHBondContact O-CE2 3.42Å; F227-F298 HydrophobicContact CD1-CE2 4.35Å; M295-F298 HydrophobicContact CB-CB 4.45Å; M295-F298 HydrophobicContact CE-CB 3.88Å; M295-F298 HydrophobicContact CE-CD1 4Å; M295-F298 HydrophobicContact CE-CD2 3.38Å; M295-F298 HydrophobicContact CE-CE1 4.35Å; M295-F298 HydrophobicContact CE-CE2 3.76Å; M295-F298 HydrophobicContact CE-CG 3.48Å; M295-F298 VanDerWaalsContact CE-CG 3.48Å; M295-F298 HydrophobicContact CE-CZ 4.23Å; M295-F298 WeakPolarHBondContact O-CB 3.1Å; M295-F298 PolarHBondContact O-N 2.84Å; M295-F298 HydrophobicContact SD-CB 4.37Å; M295-F298 HydrophobicContact SD-CD2 4.07Å; M295-F298 HydrophobicContact SD-CG 4.4Å
299K81.3Confident79.8Confident163 Ų16371.9 Ų71.971%0.70937%0.367SS*.  trans-98.9-26.4172.3-64-176.5176.8-174.10110.9Q228 T297Q228-K299 PolarHBondContact O-N 3.25Å; T297-K299 PolarHBondContact O-N 3.3Å
300G73Confident79.5Confident5 Ų576 Ų765%0.05239%0.386CS..  trans59.2-159.3-171.100000111.6Q228Q228-G300 PolarHBondContact O-N 3.31Å
301R66.6Low79.1Confident128 Ų12881.8 Ų81.848%0.48341%0.413SS..  trans-104.7114.5175.8-179177.4166.4-163.8-7.6108.8
302T42.8Very low78.7Confident199 Ų19986.3 Ų86.3100%1.22143%0.432SS*.  trans-68.50160.749.70000110.9

Retrieved 302 of 302 residues in 229 ms (Link to these results)

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